NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
14506 | 1wwf | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* C 504 1H5* C 504 29.669 -9.062 -3.148 2 2H5* C 504 2H5* C 504 30.364 -7.612 -3.872 3 H4* C 504 H4* C 504 31.977 -9.465 -3.657 4 H3* C 504 H3* C 504 31.336 -8.375 -6.387 5 H2* C 504 H2* C 504 32.888 -9.826 -7.363 6 2HO* C 504 2HO* C 504 34.396 -9.214 -5.647 7 H1* C 504 H1* C 504 32.130 -11.747 -5.188 8 1H4 C 504 1H4 C 504 31.240 -15.522 -10.219 9 2H4 C 504 2H4 C 504 30.511 -14.214 -11.124 10 H5 C 504 H5 C 504 30.254 -12.020 -10.289 11 H6 C 504 H6 C 504 30.637 -10.526 -8.360 12 1H5* C 505 1H5* C 505 35.127 -7.455 -5.006 13 2H5* C 505 2H5* C 505 36.252 -6.239 -5.611 14 H4* C 505 H4* C 505 36.894 -8.337 -6.523 15 H3* C 505 H3* C 505 35.606 -6.483 -8.507 16 H2* C 505 H2* C 505 35.847 -8.056 -10.208 17 2HO* C 505 2HO* C 505 37.671 -9.261 -8.331 18 H1* C 505 H1* C 505 35.509 -10.237 -8.249 19 1H4 C 505 1H4 C 505 30.733 -11.209 -12.357 20 2H4 C 505 2H4 C 505 29.980 -9.716 -11.844 21 H5 C 505 H5 C 505 30.954 -8.211 -10.307 22 H6 C 505 H6 C 505 32.910 -7.764 -8.869 23 1H5* U 506 1H5* U 506 39.385 -2.878 -9.854 24 2H5* U 506 2H5* U 506 38.258 -2.675 -8.513 25 H4* U 506 H4* U 506 37.263 -1.686 -10.422 26 H3* U 506 H3* U 506 36.018 -4.354 -9.748 27 H2* U 506 H2* U 506 34.343 -3.911 -11.361 28 2HO* U 506 2HO* U 506 35.563 -1.344 -11.735 29 H1* U 506 H1* U 506 36.293 -2.887 -13.205 30 H3 U 506 H3 U 506 36.613 -6.614 -15.730 31 H5 U 506 H5 U 506 34.661 -7.946 -12.272 32 H6 U 506 H6 U 506 35.041 -5.719 -11.319 33 1H5* C 507 1H5* C 507 34.652 -0.079 -10.117 34 2H5* C 507 2H5* C 507 34.004 0.073 -8.484 35 H4* C 507 H4* C 507 33.278 1.585 -10.657 36 H3* C 507 H3* C 507 32.076 1.133 -7.961 37 H2* C 507 H2* C 507 30.092 2.294 -8.564 38 2HO* C 507 2HO* C 507 30.628 3.883 -9.946 39 H1* C 507 H1* C 507 29.723 0.867 -10.921 40 1H4 C 507 1H4 C 507 26.432 -2.403 -6.526 41 2H4 C 507 2H4 C 507 27.891 -3.274 -6.112 42 H5 C 507 H5 C 507 30.018 -2.780 -7.010 43 H6 C 507 H6 C 507 31.282 -1.314 -8.543 44 1H5* C 508 1H5* C 508 34.195 5.837 -5.527 45 2H5* C 508 2H5* C 508 33.147 6.330 -6.857 46 H4* C 508 H4* C 508 35.704 7.147 -6.537 47 H3* C 508 H3* C 508 34.077 6.867 -9.069 48 H2* C 508 H2* C 508 35.888 7.770 -10.268 49 2HO* C 508 2HO* C 508 37.367 8.274 -7.915 50 H1* C 508 H1* C 508 37.773 6.339 -8.577 51 1H4 C 508 1H4 C 508 38.397 2.792 -13.817 52 2H4 C 508 2H4 C 508 36.799 3.253 -14.359 53 H5 C 508 H5 C 508 35.338 4.635 -13.121 54 H6 C 508 H6 C 508 35.047 5.927 -11.037 55 1H5* G 509 1H5* G 509 34.274 9.726 -11.656 56 2H5* G 509 2H5* G 509 33.567 10.859 -10.505 57 H4* G 509 H4* G 509 32.245 11.215 -12.338 58 H3* G 509 H3* G 509 30.898 9.129 -10.647 59 H2* G 509 H2* G 509 29.106 9.009 -12.182 60 2HO* G 509 2HO* G 509 28.847 11.155 -12.671 61 H1* G 509 H1* G 509 30.915 9.082 -14.418 62 H8 G 509 H8 G 509 30.295 6.914 -11.311 63 H1 G 509 H1 G 509 30.073 3.802 -16.982 64 1H2 G 509 1H2 G 509 30.521 5.116 -18.506 65 2H2 G 509 2H2 G 509 30.900 6.809 -18.282 66 1H5* U 510 1H5* U 510 29.580 9.531 -7.472 67 2H5* U 510 2H5* U 510 29.185 7.923 -8.078 68 H4* U 510 H4* U 510 27.502 8.986 -6.525 69 H3* U 510 H3* U 510 26.729 7.910 -9.232 70 H2* U 510 H2* U 510 24.447 8.289 -8.692 71 2HO* U 510 2HO* U 510 23.930 8.524 -6.521 72 H1* U 510 H1* U 510 25.011 10.882 -7.671 73 H3 U 510 H3 U 510 22.948 12.600 -11.230 74 H5 U 510 H5 U 510 25.504 9.781 -12.979 75 H6 U 510 H6 U 510 26.246 9.196 -10.716 76 1H ALA 1 HN ALA 1 1.884 0.000 0.829 77 HA ALA 1 HA ALA 1 2.234 -1.038 -1.536 78 1HB ALA 1 1HB ALA 1 0.228 0.826 -1.989 79 2HB ALA 1 2HB ALA 1 1.690 1.670 -2.551 80 3HB ALA 1 3HB ALA 1 1.258 0.086 -3.238 81 H THR 2 HN THR 2 4.070 0.107 -2.894 82 HA THR 2 HA THR 2 5.835 1.358 -0.913 83 HB THR 2 HB THR 2 7.617 0.550 -2.494 84 HG1 THR 2 HG1 THR 2 5.927 0.757 -4.313 85 1HG2 THR 2 1HG2 THR 2 6.112 -1.943 -2.516 86 2HG2 THR 2 2HG2 THR 2 7.520 -1.512 -1.517 87 3HG2 THR 2 3HG2 THR 2 5.876 -1.125 -0.954 88 H VAL 3 HN VAL 3 6.065 3.495 -0.926 89 HA VAL 3 HA VAL 3 5.999 4.810 -3.544 90 HB VAL 3 HB VAL 3 4.539 5.622 -1.026 91 1HG1 VAL 3 1HG1 VAL 3 4.124 7.327 -3.363 92 2HG1 VAL 3 2HG1 VAL 3 4.479 7.765 -1.675 93 3HG1 VAL 3 3HG1 VAL 3 5.808 7.360 -2.787 94 1HG2 VAL 3 1HG2 VAL 3 2.893 5.752 -3.325 95 2HG2 VAL 3 2HG2 VAL 3 3.770 4.206 -3.416 96 3HG2 VAL 3 3HG2 VAL 3 2.801 4.596 -1.974 97 H VAL 4 HN VAL 4 6.563 5.490 -0.011 98 HA VAL 4 HA VAL 4 8.898 7.045 -0.800 99 HB VAL 4 HB VAL 4 7.136 7.955 0.717 100 1HG1 VAL 4 1HG1 VAL 4 6.460 6.124 2.040 101 2HG1 VAL 4 2HG1 VAL 4 8.133 5.724 2.499 102 3HG1 VAL 4 3HG1 VAL 4 7.355 7.184 3.156 103 1HG2 VAL 4 1HG2 VAL 4 8.666 9.281 1.733 104 2HG2 VAL 4 2HG2 VAL 4 9.559 7.906 2.425 105 3HG2 VAL 4 3HG2 VAL 4 9.819 8.372 0.727 106 H SER 5 HN SER 5 11.005 6.496 -0.235 107 HA SER 5 HA SER 5 11.495 4.415 1.603 108 1HB SER 5 2HB SER 5 11.511 3.818 -1.343 109 2HB SER 5 3HB SER 5 12.802 3.127 -0.381 110 HG SER 5 HG SER 5 10.041 2.881 0.418 111 H GLY 6 HN GLY 6 13.498 4.835 2.500 112 1HA GLY 6 1HA GLY 6 15.021 7.038 1.603 113 2HA GLY 6 2HA GLY 6 15.456 5.887 2.851 114 H GLN 7 HN GLN 7 17.564 6.692 1.430 115 HA GLN 7 HA GLN 7 18.063 4.399 -0.284 116 1HB GLN 7 2HB GLN 7 18.057 7.230 -1.072 117 2HB GLN 7 3HB GLN 7 19.605 6.474 -1.396 118 1HG GLN 7 2HG GLN 7 18.119 4.507 -2.397 119 2HG GLN 7 3HG GLN 7 16.876 5.739 -2.485 120 1HE2 GLN 7 1HE2 GLN 7 18.993 4.221 -4.294 121 2HE2 GLN 7 2HE2 GLN 7 19.493 5.440 -5.419 122 H LYS 8 HN LYS 8 19.972 3.359 0.202 123 HA LYS 8 HA LYS 8 21.796 4.815 1.987 124 1HB LYS 8 2HB LYS 8 20.680 2.057 2.073 125 2HB LYS 8 3HB LYS 8 22.367 2.233 2.514 126 1HG LYS 8 2HG LYS 8 21.204 2.547 4.564 127 2HG LYS 8 3HG LYS 8 21.609 4.175 4.056 128 1HD LYS 8 2HD LYS 8 19.373 4.605 3.268 129 2HD LYS 8 3HD LYS 8 18.944 2.906 3.312 130 1HE LYS 8 2HE LYS 8 19.861 3.927 5.937 131 2HE LYS 8 3HE LYS 8 18.444 4.766 5.339 132 1HZ LYS 8 1HZ LYS 8 18.525 2.285 6.483 133 2HZ LYS 8 2HZ LYS 8 17.232 3.001 5.789 134 3HZ LYS 8 3HZ LYS 8 18.185 2.007 4.911 135 H GLN 9 HN GLN 9 23.437 5.571 0.737 136 HA GLN 9 HA GLN 9 24.505 3.675 -1.207 137 1HB GLN 9 2HB GLN 9 23.500 6.123 -1.800 138 2HB GLN 9 3HB GLN 9 25.146 6.597 -1.430 139 1HG GLN 9 2HG GLN 9 25.239 6.119 -3.745 140 2HG GLN 9 3HG GLN 9 25.873 4.657 -3.017 141 1HE2 GLN 9 1HE2 GLN 9 25.253 3.032 -4.228 142 2HE2 GLN 9 2HE2 GLN 9 23.644 2.691 -4.773 143 H ASP 10 HN ASP 10 26.271 2.682 -0.317 144 HA ASP 10 HA ASP 10 27.901 4.252 1.480 145 1HB ASP 10 2HB ASP 10 27.271 1.401 1.092 146 2HB ASP 10 3HB ASP 10 28.998 1.659 1.244 147 H ARG 11 HN ARG 11 29.397 5.477 0.276 148 HA ARG 11 HA ARG 11 30.362 4.539 -2.193 149 1HB ARG 11 2HB ARG 11 31.892 6.582 -1.999 150 2HB ARG 11 3HB ARG 11 30.179 6.930 -1.877 151 1HG ARG 11 2HG ARG 11 31.367 6.292 0.747 152 2HG ARG 11 3HG ARG 11 32.158 7.657 -0.017 153 1HD ARG 11 2HD ARG 11 29.980 8.800 -0.318 154 2HD ARG 11 3HD ARG 11 29.130 7.410 0.329 155 HE ARG 11 HE ARG 11 29.778 8.031 2.505 156 1HH1 ARG 11 2HH2 ARG 11 31.603 9.891 0.141 157 2HH1 ARG 11 1HH2 ARG 11 32.268 10.975 1.317 158 1HH2 ARG 11 2HH1 ARG 11 30.654 9.460 4.058 159 2HH2 ARG 11 1HH1 ARG 11 31.724 10.728 3.560 160 H GLN 12 HN GLN 12 32.517 3.807 -2.723 161 HA GLN 12 HA GLN 12 34.596 3.730 -0.925 162 1HB GLN 12 2HB GLN 12 32.884 2.037 0.132 163 2HB GLN 12 3HB GLN 12 33.388 0.958 -1.154 164 1HG GLN 12 2HG GLN 12 35.048 0.356 0.303 165 2HG GLN 12 3HG GLN 12 35.840 1.814 -0.261 166 1HE2 GLN 12 1HE2 GLN 12 33.694 0.478 2.196 167 2HE2 GLN 12 2HE2 GLN 12 34.046 1.611 3.458 168 H GLY 13 HN GLY 13 36.512 2.762 -1.883 169 1HA GLY 13 1HA GLY 13 37.480 1.375 -3.570 170 2HA GLY 13 2HA GLY 13 36.109 1.705 -4.611 171 H GLY 14 HN GLY 14 38.863 2.106 -5.373 172 1HA GLY 14 1HA GLY 14 38.883 4.389 -6.759 173 2HA GLY 14 2HA GLY 14 39.384 4.958 -5.179 174 H GLU 15 HN GLU 15 40.126 2.465 -7.697 175 HA GLU 15 HA GLU 15 42.895 3.033 -7.370 176 1HB GLU 15 2HB GLU 15 41.962 1.071 -5.690 177 2HB GLU 15 3HB GLU 15 42.384 0.108 -7.092 178 1HG GLU 15 2HG GLU 15 44.592 0.281 -6.606 179 2HG GLU 15 3HG GLU 15 44.502 2.031 -6.641 180 H ARG 16 HN ARG 16 42.099 3.735 -9.602 181 HA ARG 16 HA ARG 16 42.945 1.827 -11.447 182 1HB ARG 16 2HB ARG 16 40.320 1.374 -10.819 183 2HB ARG 16 3HB ARG 16 40.103 2.569 -12.083 184 1HG ARG 16 2HG ARG 16 41.302 1.219 -13.700 185 2HG ARG 16 3HG ARG 16 41.897 0.134 -12.459 186 1HD ARG 16 2HD ARG 16 39.332 -0.314 -11.972 187 2HD ARG 16 3HD ARG 16 39.080 0.366 -13.567 188 HE ARG 16 HE ARG 16 41.158 -1.710 -13.478 189 1HH1 ARG 16 2HH2 ARG 16 37.729 -1.048 -13.914 190 2HH1 ARG 16 1HH2 ARG 16 37.426 -2.515 -14.783 191 1HH2 ARG 16 2HH1 ARG 16 40.758 -3.646 -14.625 192 2HH2 ARG 16 1HH1 ARG 16 39.160 -4.003 -15.191 193 H ARG 17 HN ARG 17 42.490 2.758 -13.827 194 HA ARG 17 HA ARG 17 42.847 5.624 -13.568 195 1HB ARG 17 2HB ARG 17 44.465 3.821 -14.815 196 2HB ARG 17 3HB ARG 17 43.409 4.200 -16.161 197 1HG ARG 17 2HG ARG 17 44.144 6.669 -14.817 198 2HG ARG 17 3HG ARG 17 45.599 5.752 -15.153 199 1HD ARG 17 2HD ARG 17 44.732 5.459 -17.558 200 2HD ARG 17 3HD ARG 17 43.467 6.606 -17.165 201 HE ARG 17 HE ARG 17 46.288 7.214 -17.618 202 1HH1 ARG 17 2HH2 ARG 17 43.348 8.313 -16.028 203 2HH1 ARG 17 1HH2 ARG 17 43.843 9.972 -15.977 204 1HH2 ARG 17 2HH1 ARG 17 46.942 9.403 -17.551 205 2HH2 ARG 17 1HH1 ARG 17 45.901 10.596 -16.849 206 H ARG 18 HN ARG 18 41.388 7.050 -14.537 207 HA ARG 18 HA ARG 18 39.053 5.844 -15.648 208 1HB ARG 18 2HB ARG 18 39.787 8.769 -15.127 209 2HB ARG 18 3HB ARG 18 38.211 8.241 -15.683 210 1HG ARG 18 2HG ARG 18 37.647 7.270 -13.636 211 2HG ARG 18 3HG ARG 18 39.309 6.891 -13.229 212 1HD ARG 18 2HD ARG 18 38.422 9.790 -13.392 213 2HD ARG 18 3HD ARG 18 38.073 8.852 -11.954 214 HE ARG 18 HE ARG 18 40.736 8.337 -12.285 215 1HH1 ARG 18 2HH2 ARG 18 38.921 11.352 -12.336 216 2HH1 ARG 18 1HH2 ARG 18 40.245 12.307 -11.756 217 1HH2 ARG 18 2HH1 ARG 18 42.482 9.597 -11.520 218 2HH2 ARG 18 1HH1 ARG 18 42.284 11.302 -11.289 219 H SER 19 HN SER 19 41.105 5.241 -17.369 220 HA SER 19 HA SER 19 41.981 6.943 -19.202 221 1HB SER 19 2HB SER 19 42.067 4.284 -18.992 222 2HB SER 19 3HB SER 19 40.796 4.349 -20.196 223 HG SER 19 HG SER 19 42.264 5.699 -21.514 224 H GLN 20 HN GLN 20 40.687 8.690 -19.853 225 HA GLN 20 HA GLN 20 38.915 9.759 -20.616 226 1HB GLN 20 2HB GLN 20 40.232 8.326 -22.625 227 2HB GLN 20 3HB GLN 20 38.542 8.000 -22.954 228 1HG GLN 20 2HG GLN 20 39.095 10.841 -22.288 229 2HG GLN 20 3HG GLN 20 39.914 10.289 -23.735 230 1HE2 GLN 20 1HE2 GLN 20 38.481 8.834 -25.166 231 2HE2 GLN 20 2HE2 GLN 20 36.892 9.428 -25.515 232 H LEU 21 HN LEU 21 37.867 8.301 -18.629 233 HA LEU 21 HA LEU 21 36.102 6.299 -19.108 234 1HB LEU 21 2HB LEU 21 36.756 7.978 -17.011 235 2HB LEU 21 3HB LEU 21 35.057 8.316 -17.272 236 HG LEU 21 HG LEU 21 36.321 5.644 -16.627 237 1HD1 LEU 21 1HD1 LEU 21 34.102 6.512 -14.969 238 2HD1 LEU 21 2HD1 LEU 21 35.751 6.023 -14.513 239 3HD1 LEU 21 3HD1 LEU 21 35.421 7.707 -14.983 240 1HD2 LEU 21 1HD2 LEU 21 33.899 6.171 -18.102 241 2HD2 LEU 21 2HD2 LEU 21 34.663 4.618 -17.685 242 3HD2 LEU 21 3HD2 LEU 21 33.523 5.383 -16.551 243 H ASP 22 HN ASP 22 34.811 6.200 -20.895 244 HA ASP 22 HA ASP 22 33.692 8.414 -22.093 245 1HB ASP 22 2HB ASP 22 33.817 5.644 -22.556 246 2HB ASP 22 3HB ASP 22 32.100 5.939 -22.367 247 H ARG 23 HN ARG 23 31.700 9.499 -21.752 248 HA ARG 23 HA ARG 23 30.477 9.163 -19.286 249 1HB ARG 23 2HB ARG 23 30.565 11.225 -20.944 250 2HB ARG 23 3HB ARG 23 29.121 10.523 -21.645 251 1HG ARG 23 2HG ARG 23 28.626 12.233 -19.863 252 2HG ARG 23 3HG ARG 23 27.923 10.664 -19.526 253 1HD ARG 23 2HD ARG 23 29.334 10.253 -17.728 254 2HD ARG 23 3HD ARG 23 30.686 11.103 -18.449 255 HE ARG 23 HE ARG 23 28.760 13.083 -17.913 256 1HH1 ARG 23 2HH2 ARG 23 30.603 10.734 -16.050 257 2HH1 ARG 23 1HH2 ARG 23 30.619 11.697 -14.611 258 1HH2 ARG 23 2HH1 ARG 23 28.782 14.354 -16.014 259 2HH2 ARG 23 1HH1 ARG 23 29.576 13.771 -14.590 260 H ASP 24 HN ASP 24 30.252 7.298 -22.114 261 HA ASP 24 HA ASP 24 27.610 6.371 -21.302 262 1HB ASP 24 2HB ASP 24 28.769 6.213 -24.119 263 2HB ASP 24 3HB ASP 24 27.133 5.812 -23.636 264 H GLN 25 HN GLN 25 30.341 5.543 -20.401 265 HA GLN 25 HA GLN 25 30.456 2.901 -21.632 266 1HB GLN 25 2HB GLN 25 32.538 4.824 -20.773 267 2HB GLN 25 3HB GLN 25 32.828 3.190 -20.211 268 1HG GLN 25 2HG GLN 25 32.367 2.419 -22.638 269 2HG GLN 25 3HG GLN 25 32.438 4.110 -23.090 270 1HE2 GLN 25 1HE2 GLN 25 34.216 3.360 -24.424 271 2HE2 GLN 25 2HE2 GLN 25 35.815 3.263 -23.766 272 H CYS 26 HN CYS 26 31.665 1.317 -19.856 273 HA CYS 26 HA CYS 26 29.993 1.590 -17.468 274 1HB CYS 26 2HB CYS 26 29.413 -0.372 -18.784 275 2HB CYS 26 3HB CYS 26 31.083 -0.903 -18.812 276 H ALA 27 HN ALA 27 31.047 1.793 -15.498 277 HA ALA 27 HA ALA 27 33.965 1.696 -15.595 278 1HB ALA 27 1HB ALA 27 32.830 3.771 -14.825 279 2HB ALA 27 2HB ALA 27 32.065 2.846 -13.512 280 3HB ALA 27 3HB ALA 27 33.833 3.040 -13.550 281 H TYR 28 HN TYR 28 32.405 -0.781 -15.657 282 HA TYR 28 HA TYR 28 33.266 -1.861 -13.062 283 1HB TYR 28 2HB TYR 28 30.683 -1.507 -13.628 284 2HB TYR 28 3HB TYR 28 30.904 -2.814 -14.775 285 HD1 TYR 28 HD1 TYR 28 31.019 -1.942 -11.168 286 HD2 TYR 28 HD2 TYR 28 30.989 -5.095 -14.060 287 HE1 TYR 28 HE1 TYR 28 30.616 -3.642 -9.321 288 HE2 TYR 28 HE2 TYR 28 30.585 -6.784 -12.203 289 HH TYR 28 HH TYR 28 31.226 -6.374 -9.225 290 H CYS 29 HN CYS 29 32.064 -2.927 -16.330 291 HA CYS 29 HA CYS 29 34.103 -5.004 -16.247 292 1HB CYS 29 2HB CYS 29 32.854 -6.066 -18.059 293 2HB CYS 29 3HB CYS 29 31.810 -5.747 -16.687 294 H LYS 30 HN LYS 30 33.298 -1.888 -17.586 295 HA LYS 30 HA LYS 30 34.658 -0.534 -18.758 296 1HB LYS 30 2HB LYS 30 36.300 -2.835 -19.798 297 2HB LYS 30 3HB LYS 30 36.758 -1.156 -19.594 298 1HG LYS 30 2HG LYS 30 35.961 -2.046 -17.007 299 2HG LYS 30 3HG LYS 30 36.922 -3.351 -17.674 300 1HD LYS 30 2HD LYS 30 38.470 -1.875 -16.565 301 2HD LYS 30 3HD LYS 30 38.703 -1.626 -18.284 302 1HE LYS 30 2HE LYS 30 38.532 0.593 -17.640 303 2HE LYS 30 3HE LYS 30 36.830 0.274 -17.908 304 1HZ LYS 30 1HZ LYS 30 36.924 1.182 -15.811 305 2HZ LYS 30 2HZ LYS 30 36.834 -0.415 -15.482 306 3HZ LYS 30 3HZ LYS 30 38.265 0.363 -15.367 307 H GLU 31 HN GLU 31 32.228 -2.221 -19.509 308 HA GLU 31 HA GLU 31 32.588 -2.506 -22.340 309 1HB GLU 31 2HB GLU 31 31.266 -4.184 -21.121 310 2HB GLU 31 3HB GLU 31 30.172 -2.948 -20.533 311 1HG GLU 31 2HG GLU 31 28.946 -3.665 -22.366 312 2HG GLU 31 3HG GLU 31 29.894 -2.417 -23.150 313 H LYS 32 HN LYS 32 31.655 -1.187 -23.950 314 HA LYS 32 HA LYS 32 30.695 1.383 -22.941 315 1HB LYS 32 2HB LYS 32 31.356 2.290 -25.074 316 2HB LYS 32 3HB LYS 32 32.691 1.379 -24.398 317 1HG LYS 32 2HG LYS 32 32.774 0.214 -26.343 318 2HG LYS 32 3HG LYS 32 31.261 -0.542 -25.882 319 1HD LYS 32 2HD LYS 32 30.043 0.683 -27.387 320 2HD LYS 32 3HD LYS 32 30.893 2.170 -27.015 321 1HE LYS 32 2HE LYS 32 31.989 1.953 -28.991 322 2HE LYS 32 3HE LYS 32 32.836 0.580 -28.308 323 1HZ LYS 32 1HZ LYS 32 31.742 -0.709 -29.691 324 2HZ LYS 32 2HZ LYS 32 30.299 -0.246 -29.082 325 3HZ LYS 32 3HZ LYS 32 30.958 0.572 -30.332 326 H GLY 33 HN GLY 33 28.586 1.945 -23.107 327 1HA GLY 33 1HA GLY 33 26.746 1.936 -24.844 328 2HA GLY 33 2HA GLY 33 26.870 0.190 -24.751 329 H HIS 34 HN HIS 34 27.380 -0.111 -21.927 330 HA HIS 34 HA HIS 34 24.833 0.884 -20.871 331 1HB HIS 34 2HB HIS 34 24.542 -1.147 -19.680 332 2HB HIS 34 3HB HIS 34 24.911 -1.570 -21.341 333 HD1 HIS 34 HD1 HIS 34 26.751 -3.243 -21.676 334 HD2 HIS 34 HD2 HIS 34 26.947 -1.392 -17.917 335 HE1 HIS 34 HE1 HIS 34 28.617 -4.421 -20.396 336 H TRP 35 HN TRP 35 24.797 1.275 -18.499 337 HA TRP 35 HA TRP 35 27.351 2.409 -17.688 338 1HB TRP 35 2HB TRP 35 24.498 2.899 -17.081 339 2HB TRP 35 3HB TRP 35 25.606 3.105 -15.739 340 HD1 TRP 35 HD1 TRP 35 26.048 4.181 -19.482 341 HE1 TRP 35 HE1 TRP 35 26.676 6.739 -19.634 342 HE3 TRP 35 HE3 TRP 35 25.793 5.078 -14.484 343 HZ2 TRP 35 HZ2 TRP 35 26.988 8.805 -17.690 344 HZ3 TRP 35 HZ3 TRP 35 26.274 7.393 -13.694 345 HH2 TRP 35 HH2 TRP 35 26.855 9.223 -15.206 346 H ALA 36 HN ALA 36 28.079 2.026 -15.392 347 HA ALA 36 HA ALA 36 28.294 -0.699 -14.871 348 1HB ALA 36 1HB ALA 36 29.950 0.923 -14.135 349 2HB ALA 36 2HB ALA 36 28.746 1.748 -13.116 350 3HB ALA 36 3HB ALA 36 29.279 0.100 -12.706 351 H LYS 37 HN LYS 37 25.981 1.796 -13.767 352 HA LYS 37 HA LYS 37 24.875 0.235 -11.693 353 1HB LYS 37 2HB LYS 37 24.154 2.751 -13.143 354 2HB LYS 37 3HB LYS 37 22.905 1.951 -12.210 355 1HG LYS 37 2HG LYS 37 23.877 3.365 -10.602 356 2HG LYS 37 3HG LYS 37 24.702 1.850 -10.294 357 1HD LYS 37 2HD LYS 37 26.726 2.696 -10.920 358 2HD LYS 37 3HD LYS 37 26.070 3.420 -12.375 359 1HE LYS 37 2HE LYS 37 25.496 5.437 -11.282 360 2HE LYS 37 3HE LYS 37 25.427 4.685 -9.701 361 1HZ LYS 37 1HZ LYS 37 27.667 5.765 -11.078 362 2HZ LYS 37 2HZ LYS 37 27.460 5.496 -9.480 363 3HZ LYS 37 3HZ LYS 37 27.971 4.287 -10.452 364 H ASP 38 HN ASP 38 24.896 -0.180 -15.061 365 HA ASP 38 HA ASP 38 22.528 -1.855 -14.812 366 1HB ASP 38 2HB ASP 38 22.607 0.420 -16.360 367 2HB ASP 38 3HB ASP 38 23.191 -0.760 -17.516 368 H CYS 39 HN CYS 39 25.563 -2.242 -14.591 369 HA CYS 39 HA CYS 39 26.533 -3.389 -16.939 370 1HB CYS 39 2HB CYS 39 27.952 -2.636 -15.047 371 2HB CYS 39 3HB CYS 39 27.357 -3.967 -14.074 372 HA PRO 40 HA PRO 40 24.165 -7.080 -16.730 373 1HB PRO 40 2HB PRO 40 25.115 -8.266 -19.002 374 2HB PRO 40 3HB PRO 40 23.818 -7.088 -19.006 375 1HG PRO 40 2HG PRO 40 26.639 -6.742 -19.819 376 2HG PRO 40 3HG PRO 40 25.255 -5.738 -20.204 377 1HD PRO 40 2HD PRO 40 27.297 -5.176 -18.270 378 2HD PRO 40 3HD PRO 40 25.853 -4.231 -18.574 379 H LYS 41 HN LYS 41 27.301 -6.682 -16.009 380 HA LYS 41 HA LYS 41 27.803 -9.544 -15.767 381 1HB LYS 41 2HB LYS 41 29.483 -7.913 -16.776 382 2HB LYS 41 3HB LYS 41 29.703 -7.269 -15.162 383 1HG LYS 41 2HG LYS 41 30.102 -9.764 -14.446 384 2HG LYS 41 3HG LYS 41 30.305 -10.077 -16.158 385 1HD LYS 41 2HD LYS 41 32.228 -8.686 -16.322 386 2HD LYS 41 3HD LYS 41 31.841 -7.809 -14.855 387 1HE LYS 41 2HE LYS 41 33.526 -9.212 -14.056 388 2HE LYS 41 3HE LYS 41 32.119 -10.192 -13.695 389 1HZ LYS 41 1HZ LYS 41 33.358 -11.664 -14.839 390 2HZ LYS 41 2HZ LYS 41 32.573 -11.015 -16.116 391 3HZ LYS 41 3HZ LYS 41 34.100 -10.547 -15.772 392 H LYS 42 HN LYS 42 26.633 -6.810 -13.990 393 HA LYS 42 HA LYS 42 27.566 -7.417 -11.442 394 1HB LYS 42 2HB LYS 42 25.327 -5.835 -12.609 395 2HB LYS 42 3HB LYS 42 25.194 -6.262 -10.915 396 1HG LYS 42 2HG LYS 42 27.576 -5.367 -10.599 397 2HG LYS 42 3HG LYS 42 27.499 -4.768 -12.245 398 1HD LYS 42 2HD LYS 42 25.373 -3.500 -11.590 399 2HD LYS 42 3HD LYS 42 25.676 -3.972 -9.929 400 1HE LYS 42 2HE LYS 42 27.850 -2.808 -9.941 401 2HE LYS 42 3HE LYS 42 27.690 -2.447 -11.648 402 1HZ LYS 42 1HZ LYS 42 26.885 -0.559 -10.750 403 2HZ LYS 42 2HZ LYS 42 25.477 -1.385 -10.809 404 3HZ LYS 42 3HZ LYS 42 26.298 -1.270 -9.402 405 HA PRO 43 HA PRO 43 25.330 -10.950 -10.371 406 1HB PRO 43 2HB PRO 43 25.288 -10.766 -7.644 407 2HB PRO 43 3HB PRO 43 26.678 -11.340 -8.544 408 1HG PRO 43 2HG PRO 43 26.279 -8.729 -7.217 409 2HG PRO 43 3HG PRO 43 27.774 -9.477 -7.741 410 1HD PRO 43 2HD PRO 43 26.371 -7.346 -9.051 411 2HD PRO 43 3HD PRO 43 27.802 -8.172 -9.634 412 H ARG 44 HN ARG 44 23.346 -11.900 -9.584 413 HA ARG 44 HA ARG 44 21.264 -10.119 -10.084 414 1HB ARG 44 2HB ARG 44 21.455 -12.972 -9.067 415 2HB ARG 44 3HB ARG 44 19.901 -12.163 -9.041 416 1HG ARG 44 2HG ARG 44 20.791 -11.550 -11.595 417 2HG ARG 44 3HG ARG 44 21.485 -13.142 -11.362 418 1HD ARG 44 2HD ARG 44 19.011 -13.690 -10.431 419 2HD ARG 44 3HD ARG 44 18.581 -12.329 -11.449 420 HE ARG 44 HE ARG 44 20.163 -13.835 -13.126 421 1HH1 ARG 44 2HH2 ARG 44 17.378 -14.617 -11.123 422 2HH1 ARG 44 1HH2 ARG 44 16.828 -15.890 -12.160 423 1HH2 ARG 44 2HH1 ARG 44 19.439 -15.515 -14.495 424 2HH2 ARG 44 1HH1 ARG 44 18.009 -16.405 -14.092 425 H GLY 45 HN GLY 45 19.308 -9.930 -8.453 426 1HA GLY 45 1HA GLY 45 20.105 -9.892 -5.653 427 2HA GLY 45 2HA GLY 45 19.802 -8.330 -6.388 428 HA PRO 46 HA PRO 46 19.094 -8.024 -4.451 429 1HB PRO 46 2HB PRO 46 17.836 -8.159 -2.028 430 2HB PRO 46 3HB PRO 46 17.515 -6.902 -3.206 431 1HG PRO 46 2HG PRO 46 15.858 -9.246 -2.498 432 2HG PRO 46 3HG PRO 46 15.385 -7.780 -3.334 433 1HD PRO 46 2HD PRO 46 15.868 -10.349 -4.514 434 2HD PRO 46 3HD PRO 46 15.510 -8.857 -5.361 435 H ARG 47 HN ARG 47 20.966 -8.558 -3.445 436 HA ARG 47 HA ARG 47 20.997 -10.721 -1.686 437 1HB ARG 47 2HB ARG 47 21.042 -11.558 -4.349 438 2HB ARG 47 3HB ARG 47 22.750 -11.483 -3.965 439 1HG ARG 47 2HG ARG 47 22.258 -12.859 -1.869 440 2HG ARG 47 3HG ARG 47 20.614 -13.050 -2.447 441 1HD ARG 47 2HD ARG 47 22.642 -13.699 -4.510 442 2HD ARG 47 3HD ARG 47 22.765 -14.716 -3.088 443 HE ARG 47 HE ARG 47 20.016 -14.593 -3.721 444 1HH1 ARG 47 2HH2 ARG 47 22.975 -15.737 -5.243 445 2HH1 ARG 47 1HH2 ARG 47 22.177 -16.971 -6.161 446 1HH2 ARG 47 2HH1 ARG 47 18.963 -16.220 -4.931 447 2HH2 ARG 47 1HH1 ARG 47 19.880 -17.248 -5.982 448 H GLY 48 HN GLY 48 22.124 -9.114 -0.428 449 1HA GLY 48 1HA GLY 48 24.784 -8.353 -1.473 450 2HA GLY 48 2HA GLY 48 23.825 -7.402 -0.356 451 HA PRO 49 HA PRO 49 26.548 -10.477 1.872 452 1HB PRO 49 2HB PRO 49 28.876 -9.096 2.249 453 2HB PRO 49 3HB PRO 49 28.663 -10.288 0.982 454 1HG PRO 49 2HG PRO 49 28.718 -7.340 0.764 455 2HG PRO 49 3HG PRO 49 28.933 -8.539 -0.497 456 1HD PRO 49 2HD PRO 49 26.583 -6.970 -0.003 457 2HD PRO 49 3HD PRO 49 26.759 -8.249 -1.188 458 H ARG 50 HN ARG 50 26.953 -10.591 4.132 459 HA ARG 50 HA ARG 50 25.974 -8.147 5.376 460 1HB ARG 50 2HB ARG 50 25.156 -10.940 5.644 461 2HB ARG 50 3HB ARG 50 25.692 -10.335 7.198 462 1HG ARG 50 2HG ARG 50 23.841 -9.034 7.436 463 2HG ARG 50 3HG ARG 50 24.039 -8.336 5.841 464 1HD ARG 50 2HD ARG 50 23.158 -11.131 5.652 465 2HD ARG 50 3HD ARG 50 22.057 -10.197 6.645 466 HE ARG 50 HE ARG 50 22.556 -9.841 3.768 467 1HH1 ARG 50 2HH2 ARG 50 21.260 -8.389 6.699 468 2HH1 ARG 50 1HH2 ARG 50 20.242 -7.274 5.850 469 1HH2 ARG 50 2HH1 ARG 50 21.213 -8.371 2.647 470 2HH2 ARG 50 1HH1 ARG 50 20.215 -7.264 3.529 471 HA PRO 51 HA PRO 51 29.717 -8.152 7.619 472 1HB PRO 51 2HB PRO 51 29.064 -6.564 9.746 473 2HB PRO 51 3HB PRO 51 29.483 -5.928 8.168 474 1HG PRO 51 2HG PRO 51 26.821 -6.131 9.438 475 2HG PRO 51 3HG PRO 51 27.318 -5.137 8.082 476 1HD PRO 51 2HD PRO 51 25.799 -7.567 7.963 477 2HD PRO 51 3HD PRO 51 26.394 -6.636 6.604 478 H GLN 52 HN GLN 52 26.874 -8.761 9.602 479 HA GLN 52 HA GLN 52 26.607 -10.013 11.372 480 1HB GLN 52 2HB GLN 52 26.769 -11.704 9.513 481 2HB GLN 52 3HB GLN 52 28.465 -11.927 9.892 482 1HG GLN 52 2HG GLN 52 27.776 -12.548 12.270 483 2HG GLN 52 3HG GLN 52 26.104 -12.490 11.745 484 1HE2 GLN 52 1HE2 GLN 52 25.295 -14.394 11.374 485 2HE2 GLN 52 2HE2 GLN 52 26.088 -15.761 10.665 486 H THR 53 HN THR 53 27.548 -8.887 13.100 487 HA THR 53 HA THR 53 30.404 -9.203 13.554 488 HB THR 53 HB THR 53 29.248 -6.977 13.766 489 HG1 THR 53 HG1 THR 53 30.091 -6.744 16.064 490 1HG2 THR 53 1HG2 THR 53 27.064 -7.504 14.671 491 2HG2 THR 53 2HG2 THR 53 27.772 -8.482 15.979 492 3HG2 THR 53 3HG2 THR 53 27.954 -6.711 15.993 493 H SER 54 HN SER 54 31.342 -10.122 15.416 494 HA SER 54 HA SER 54 29.710 -11.345 17.352 495 1HB SER 54 2HB SER 54 29.876 -12.870 15.073 496 2HB SER 54 3HB SER 54 31.274 -13.462 15.948 497 HG SER 54 HG SER 54 28.563 -13.864 16.450 498 H LEU 55 HN LEU 55 31.078 -10.294 18.850 499 HA LEU 55 HA LEU 55 32.842 -9.996 20.140 500 1HB LEU 55 2HB LEU 55 32.669 -12.482 20.272 501 2HB LEU 55 3HB LEU 55 33.878 -12.597 19.009 502 HG LEU 55 HG LEU 55 35.271 -11.072 20.699 503 1HD1 LEU 55 1HD1 LEU 55 33.302 -10.977 22.281 504 2HD1 LEU 55 2HD1 LEU 55 33.599 -12.699 22.622 505 3HD1 LEU 55 3HD1 LEU 55 34.851 -11.489 22.993 506 1HD2 LEU 55 1HD2 LEU 55 36.570 -12.896 21.010 507 2HD2 LEU 55 2HD2 LEU 55 35.210 -13.921 21.528 508 3HD2 LEU 55 3HD2 LEU 55 35.472 -13.598 19.798 509 H LEU 56 HN LEU 56 35.042 -9.159 20.143 510 HA LEU 56 HA LEU 56 36.700 -8.006 19.253 511 1HB LEU 56 2HB LEU 56 36.766 -10.497 18.033 512 2HB LEU 56 3HB LEU 56 36.904 -9.378 16.692 513 HG LEU 56 HG LEU 56 38.712 -8.296 18.419 514 1HD1 LEU 56 1HD1 LEU 56 38.190 -10.383 19.896 515 2HD1 LEU 56 2HD1 LEU 56 39.250 -11.231 18.744 516 3HD1 LEU 56 3HD1 LEU 56 39.873 -9.846 19.673 517 1HD2 LEU 56 1HD2 LEU 56 38.765 -9.258 15.918 518 2HD2 LEU 56 2HD2 LEU 56 40.232 -8.804 16.818 519 3HD2 LEU 56 3HD2 LEU 56 39.738 -10.512 16.725 Start of MODEL 2 1 1H5* C 504 1H5* C 504 34.455 -14.937 -6.237 2 2H5* C 504 2H5* C 504 35.500 -13.517 -6.202 3 H4* C 504 H4* C 504 35.742 -15.000 -8.213 4 H3* C 504 H3* C 504 34.857 -12.192 -8.967 5 H2* C 504 H2* C 504 36.116 -12.671 -10.889 6 2HO* C 504 2HO* C 504 37.420 -14.919 -10.133 7 H1* C 504 H1* C 504 35.451 -15.268 -11.199 8 1H4 C 504 1H4 C 504 30.341 -12.462 -13.761 9 2H4 C 504 2H4 C 504 29.751 -12.042 -12.168 10 H5 C 504 H5 C 504 30.934 -12.471 -10.170 11 H6 C 504 H6 C 504 32.997 -13.419 -9.198 12 1H5* C 505 1H5* C 505 39.353 -8.878 -7.546 13 2H5* C 505 2H5* C 505 37.656 -8.439 -7.751 14 H4* C 505 H4* C 505 39.706 -7.980 -9.545 15 H3* C 505 H3* C 505 36.709 -7.880 -9.777 16 H2* C 505 H2* C 505 36.848 -7.605 -12.078 17 2HO* C 505 2HO* C 505 38.283 -5.977 -12.316 18 H1* C 505 H1* C 505 39.370 -9.149 -12.132 19 1H4 C 505 1H4 C 505 35.625 -12.459 -16.081 20 2H4 C 505 2H4 C 505 34.525 -12.808 -14.767 21 H5 C 505 H5 C 505 34.766 -11.941 -12.583 22 H6 C 505 H6 C 505 36.135 -10.511 -11.107 23 1H5* U 506 1H5* U 506 39.114 -4.045 -9.605 24 2H5* U 506 2H5* U 506 38.604 -2.578 -8.770 25 H4* U 506 H4* U 506 37.416 -2.204 -10.629 26 H3* U 506 H3* U 506 35.664 -4.249 -9.253 27 H2* U 506 H2* U 506 34.224 -4.187 -11.061 28 2HO* U 506 2HO* U 506 33.774 -2.050 -11.210 29 H1* U 506 H1* U 506 36.461 -3.321 -12.821 30 H3 U 506 H3 U 506 36.016 -6.668 -15.760 31 H5 U 506 H5 U 506 34.015 -8.147 -12.392 32 H6 U 506 H6 U 506 34.713 -6.117 -11.208 33 1H5* C 507 1H5* C 507 34.153 -0.216 -10.514 34 2H5* C 507 2H5* C 507 34.136 0.444 -8.879 35 H4* C 507 H4* C 507 32.714 1.596 -10.671 36 H3* C 507 H3* C 507 31.808 0.911 -7.901 37 H2* C 507 H2* C 507 29.660 1.830 -8.318 38 2HO* C 507 2HO* C 507 30.909 2.585 -10.803 39 H1* C 507 H1* C 507 29.406 0.500 -10.796 40 1H4 C 507 1H4 C 507 26.200 -3.019 -6.507 41 2H4 C 507 2H4 C 507 27.663 -3.942 -6.241 42 H5 C 507 H5 C 507 29.756 -3.391 -7.186 43 H6 C 507 H6 C 507 30.973 -1.803 -8.633 44 1H5* C 508 1H5* C 508 31.422 5.896 -5.966 45 2H5* C 508 2H5* C 508 30.994 6.949 -7.315 46 H4* C 508 H4* C 508 33.186 7.336 -5.926 47 H3* C 508 H3* C 508 32.851 7.644 -8.906 48 H2* C 508 H2* C 508 35.070 8.475 -9.033 49 2HO* C 508 2HO* C 508 35.377 9.676 -7.240 50 H1* C 508 H1* C 508 36.047 6.418 -7.323 51 1H4 C 508 1H4 C 508 37.659 3.996 -12.969 52 2H4 C 508 2H4 C 508 36.064 4.320 -13.611 53 H5 C 508 H5 C 508 34.330 5.338 -12.375 54 H6 C 508 H6 C 508 33.693 6.308 -10.195 55 1H5* G 509 1H5* G 509 33.067 10.790 -11.138 56 2H5* G 509 2H5* G 509 31.791 11.608 -10.238 57 H4* G 509 H4* G 509 31.105 11.434 -12.515 58 H3* G 509 H3* G 509 29.627 9.541 -10.683 59 H2* G 509 H2* G 509 28.230 8.955 -12.471 60 2HO* G 509 2HO* G 509 27.902 11.139 -13.078 61 H1* G 509 H1* G 509 30.461 9.194 -14.343 62 H8 G 509 H8 G 509 29.689 6.929 -11.332 63 H1 G 509 H1 G 509 30.001 3.961 -17.075 64 1H2 G 509 1H2 G 509 30.402 5.349 -18.547 65 2H2 G 509 2H2 G 509 30.621 7.062 -18.266 66 1H5* U 510 1H5* U 510 27.979 10.168 -7.826 67 2H5* U 510 2H5* U 510 27.750 8.477 -8.269 68 H4* U 510 H4* U 510 25.859 9.647 -7.021 69 H3* U 510 H3* U 510 25.414 8.081 -9.565 70 H2* U 510 H2* U 510 23.085 8.309 -9.232 71 2HO* U 510 2HO* U 510 22.937 7.955 -7.054 72 H1* U 510 H1* U 510 23.389 11.047 -8.406 73 H3 U 510 H3 U 510 20.929 12.000 -12.018 74 H5 U 510 H5 U 510 24.098 9.796 -13.644 75 H6 U 510 H6 U 510 24.915 9.471 -11.354 76 1H ALA 1 HN ALA 1 64.560 -26.436 -40.080 77 HA ALA 1 HA ALA 1 62.858 -27.528 -38.099 78 1HB ALA 1 1HB ALA 1 65.535 -28.004 -37.082 79 2HB ALA 1 2HB ALA 1 64.147 -29.115 -37.163 80 3HB ALA 1 3HB ALA 1 65.250 -28.967 -38.552 81 H THR 2 HN THR 2 62.466 -25.149 -38.356 82 HA THR 2 HA THR 2 64.244 -23.708 -36.535 83 HB THR 2 HB THR 2 63.548 -22.986 -39.412 84 HG1 THR 2 HG1 THR 2 65.880 -22.893 -37.627 85 1HG2 THR 2 1HG2 THR 2 65.031 -20.873 -38.254 86 2HG2 THR 2 2HG2 THR 2 63.340 -20.788 -38.803 87 3HG2 THR 2 3HG2 THR 2 63.706 -21.169 -37.102 88 H VAL 3 HN VAL 3 62.843 -23.588 -34.847 89 HA VAL 3 HA VAL 3 60.259 -22.335 -35.473 90 HB VAL 3 HB VAL 3 59.387 -23.528 -33.496 91 1HG1 VAL 3 1HG1 VAL 3 59.826 -25.937 -34.676 92 2HG1 VAL 3 2HG1 VAL 3 58.672 -24.724 -35.279 93 3HG1 VAL 3 3HG1 VAL 3 60.299 -24.836 -35.992 94 1HG2 VAL 3 1HG2 VAL 3 62.158 -24.132 -33.079 95 2HG2 VAL 3 2HG2 VAL 3 60.764 -24.488 -32.031 96 3HG2 VAL 3 3HG2 VAL 3 61.262 -25.658 -33.277 97 H VAL 4 HN VAL 4 60.190 -20.265 -34.784 98 HA VAL 4 HA VAL 4 61.461 -19.673 -32.221 99 HB VAL 4 HB VAL 4 61.888 -18.198 -34.822 100 1HG1 VAL 4 1HG1 VAL 4 62.007 -17.254 -32.026 101 2HG1 VAL 4 2HG1 VAL 4 63.455 -16.898 -32.999 102 3HG1 VAL 4 3HG1 VAL 4 61.856 -16.338 -33.545 103 1HG2 VAL 4 1HG2 VAL 4 63.419 -20.156 -33.326 104 2HG2 VAL 4 2HG2 VAL 4 63.718 -19.471 -34.941 105 3HG2 VAL 4 3HG2 VAL 4 64.321 -18.630 -33.492 106 H SER 5 HN SER 5 60.398 -18.041 -31.018 107 HA SER 5 HA SER 5 57.844 -17.279 -32.203 108 1HB SER 5 2HB SER 5 58.602 -17.845 -29.308 109 2HB SER 5 3HB SER 5 57.092 -17.077 -29.757 110 HG SER 5 HG SER 5 57.639 -19.425 -31.199 111 H GLY 6 HN GLY 6 56.961 -15.125 -31.369 112 1HA GLY 6 1HA GLY 6 59.091 -13.287 -30.500 113 2HA GLY 6 2HA GLY 6 58.187 -12.944 -31.962 114 H GLN 7 HN GLN 7 55.790 -12.691 -31.810 115 HA GLN 7 HA GLN 7 53.983 -11.878 -30.924 116 1HB GLN 7 2HB GLN 7 55.011 -13.603 -28.815 117 2HB GLN 7 3HB GLN 7 54.182 -12.231 -28.106 118 1HG GLN 7 2HG GLN 7 52.561 -14.025 -28.492 119 2HG GLN 7 3HG GLN 7 52.192 -12.688 -29.563 120 1HE2 GLN 7 1HE2 GLN 7 53.941 -15.761 -29.355 121 2HE2 GLN 7 2HE2 GLN 7 53.756 -16.242 -31.008 122 H LYS 8 HN LYS 8 54.296 -9.682 -31.351 123 HA LYS 8 HA LYS 8 55.942 -8.142 -29.544 124 1HB LYS 8 2HB LYS 8 56.062 -7.780 -31.976 125 2HB LYS 8 3HB LYS 8 54.367 -7.335 -32.007 126 1HG LYS 8 2HG LYS 8 54.755 -5.251 -31.119 127 2HG LYS 8 3HG LYS 8 55.961 -5.841 -29.991 128 1HD LYS 8 2HD LYS 8 56.746 -5.929 -32.879 129 2HD LYS 8 3HD LYS 8 56.553 -4.325 -32.199 130 1HE LYS 8 2HE LYS 8 58.715 -4.609 -31.496 131 2HE LYS 8 3HE LYS 8 57.990 -5.522 -30.187 132 1HZ LYS 8 1HZ LYS 8 59.675 -6.452 -32.170 133 2HZ LYS 8 2HZ LYS 8 58.999 -7.302 -30.950 134 3HZ LYS 8 3HZ LYS 8 58.237 -7.194 -32.390 135 H GLN 9 HN GLN 9 55.167 -7.364 -27.664 136 HA GLN 9 HA GLN 9 52.624 -6.102 -27.656 137 1HB GLN 9 2HB GLN 9 52.535 -8.806 -27.096 138 2HB GLN 9 3HB GLN 9 52.728 -8.134 -25.488 139 1HG GLN 9 2HG GLN 9 50.811 -6.500 -26.095 140 2HG GLN 9 3HG GLN 9 50.532 -7.502 -27.505 141 1HE2 GLN 9 1HE2 GLN 9 49.397 -9.315 -27.341 142 2HE2 GLN 9 2HE2 GLN 9 48.809 -10.023 -25.873 143 H ASP 10 HN ASP 10 53.295 -4.205 -26.736 144 HA ASP 10 HA ASP 10 55.087 -4.458 -24.453 145 1HB ASP 10 2HB ASP 10 55.490 -2.996 -26.702 146 2HB ASP 10 3HB ASP 10 54.568 -1.814 -25.796 147 H ARG 11 HN ARG 11 53.903 -4.291 -22.538 148 HA ARG 11 HA ARG 11 51.714 -2.371 -22.568 149 1HB ARG 11 2HB ARG 11 50.934 -4.734 -22.317 150 2HB ARG 11 3HB ARG 11 51.978 -4.941 -20.925 151 1HG ARG 11 2HG ARG 11 50.736 -3.079 -19.755 152 2HG ARG 11 3HG ARG 11 49.657 -2.966 -21.131 153 1HD ARG 11 2HD ARG 11 49.578 -5.693 -20.561 154 2HD ARG 11 3HD ARG 11 49.738 -4.992 -18.963 155 HE ARG 11 HE ARG 11 47.734 -3.622 -20.593 156 1HH1 ARG 11 2HH2 ARG 11 48.301 -6.361 -18.458 157 2HH1 ARG 11 1HH2 ARG 11 46.638 -6.510 -17.997 158 1HH2 ARG 11 2HH1 ARG 11 45.540 -3.818 -19.985 159 2HH2 ARG 11 1HH1 ARG 11 45.057 -5.054 -18.871 160 H GLN 12 HN GLN 12 52.296 -0.568 -21.396 161 HA GLN 12 HA GLN 12 53.886 -1.061 -18.999 162 1HB GLN 12 2HB GLN 12 54.364 0.750 -21.270 163 2HB GLN 12 3HB GLN 12 54.380 1.601 -19.739 164 1HG GLN 12 2HG GLN 12 56.242 0.446 -18.946 165 2HG GLN 12 3HG GLN 12 55.861 -1.012 -19.840 166 1HE2 GLN 12 1HE2 GLN 12 56.251 -1.089 -22.104 167 2HE2 GLN 12 2HE2 GLN 12 57.476 -0.113 -22.843 168 H GLY 13 HN GLY 13 51.786 -1.255 -17.872 169 1HA GLY 13 1HA GLY 13 50.311 -0.346 -16.422 170 2HA GLY 13 2HA GLY 13 50.944 1.247 -16.785 171 H GLY 14 HN GLY 14 49.706 2.641 -17.994 172 1HA GLY 14 1HA GLY 14 48.181 3.323 -19.537 173 2HA GLY 14 2HA GLY 14 47.876 1.658 -19.991 174 H GLU 15 HN GLU 15 46.737 0.283 -18.159 175 HA GLU 15 HA GLU 15 44.253 1.301 -17.796 176 1HB GLU 15 2HB GLU 15 45.616 -1.087 -17.181 177 2HB GLU 15 3HB GLU 15 44.985 -0.548 -15.637 178 1HG GLU 15 2HG GLU 15 43.307 -0.782 -18.180 179 2HG GLU 15 3HG GLU 15 43.391 -2.022 -16.944 180 H ARG 16 HN ARG 16 43.595 3.079 -16.672 181 HA ARG 16 HA ARG 16 44.982 3.570 -14.159 182 1HB ARG 16 2HB ARG 16 44.572 5.966 -14.488 183 2HB ARG 16 3HB ARG 16 45.348 5.331 -15.926 184 1HG ARG 16 2HG ARG 16 43.021 5.049 -16.953 185 2HG ARG 16 3HG ARG 16 42.370 5.898 -15.565 186 1HD ARG 16 2HD ARG 16 42.719 7.490 -17.409 187 2HD ARG 16 3HD ARG 16 43.810 7.876 -16.094 188 HE ARG 16 HE ARG 16 45.015 6.044 -18.018 189 1HH1 ARG 16 2HH2 ARG 16 44.333 9.432 -17.354 190 2HH1 ARG 16 1HH2 ARG 16 45.626 10.018 -18.347 191 1HH2 ARG 16 2HH1 ARG 16 46.721 6.818 -19.327 192 2HH2 ARG 16 1HH1 ARG 16 46.993 8.521 -19.476 193 H ARG 17 HN ARG 17 43.289 5.418 -12.963 194 HA ARG 17 HA ARG 17 41.387 3.911 -11.828 195 1HB ARG 17 2HB ARG 17 41.561 6.917 -12.276 196 2HB ARG 17 3HB ARG 17 40.229 6.233 -11.366 197 1HG ARG 17 2HG ARG 17 41.690 5.345 -9.675 198 2HG ARG 17 3HG ARG 17 43.113 5.543 -10.681 199 1HD ARG 17 2HD ARG 17 43.189 7.887 -10.356 200 2HD ARG 17 3HD ARG 17 41.486 7.993 -9.953 201 HE ARG 17 HE ARG 17 43.672 7.371 -8.119 202 1HH1 ARG 17 2HH2 ARG 17 40.223 6.965 -8.690 203 2HH1 ARG 17 1HH2 ARG 17 39.844 6.730 -7.017 204 1HH2 ARG 17 2HH1 ARG 17 43.173 7.059 -5.911 205 2HH2 ARG 17 1HH1 ARG 17 41.533 6.784 -5.425 206 H ARG 18 HN ARG 18 40.544 6.624 -14.113 207 HA ARG 18 HA ARG 18 38.277 4.996 -14.927 208 1HB ARG 18 2HB ARG 18 37.568 7.410 -15.870 209 2HB ARG 18 3HB ARG 18 37.291 6.977 -14.195 210 1HG ARG 18 2HG ARG 18 39.380 8.094 -13.508 211 2HG ARG 18 3HG ARG 18 39.798 8.418 -15.179 212 1HD ARG 18 2HD ARG 18 37.533 9.708 -15.317 213 2HD ARG 18 3HD ARG 18 37.510 9.619 -13.567 214 HE ARG 18 HE ARG 18 39.286 11.272 -15.208 215 1HH1 ARG 18 2HH2 ARG 18 38.856 9.752 -12.063 216 2HH1 ARG 18 1HH2 ARG 18 39.923 10.846 -11.247 217 1HH2 ARG 18 2HH1 ARG 18 40.694 12.715 -14.130 218 2HH2 ARG 18 1HH1 ARG 18 40.975 12.543 -12.431 219 H SER 19 HN SER 19 40.330 4.017 -16.225 220 HA SER 19 HA SER 19 41.525 5.342 -18.246 221 1HB SER 19 2HB SER 19 40.819 2.506 -17.683 222 2HB SER 19 3HB SER 19 41.153 2.850 -19.368 223 HG SER 19 HG SER 19 43.243 3.155 -18.934 224 H GLN 20 HN GLN 20 40.610 6.594 -19.833 225 HA GLN 20 HA GLN 20 39.044 7.402 -21.155 226 1HB GLN 20 2HB GLN 20 40.047 4.877 -22.155 227 2HB GLN 20 3HB GLN 20 38.396 5.083 -22.704 228 1HG GLN 20 2HG GLN 20 39.086 7.488 -23.395 229 2HG GLN 20 3HG GLN 20 40.742 6.978 -23.132 230 1HE2 GLN 20 1HE2 GLN 20 37.761 6.225 -24.873 231 2HE2 GLN 20 2HE2 GLN 20 38.484 5.487 -26.263 232 H LEU 21 HN LEU 21 37.796 6.882 -18.755 233 HA LEU 21 HA LEU 21 35.529 5.183 -19.134 234 1HB LEU 21 2HB LEU 21 36.775 5.727 -16.971 235 2HB LEU 21 3HB LEU 21 35.920 7.256 -16.986 236 HG LEU 21 HG LEU 21 34.933 4.521 -16.393 237 1HD1 LEU 21 1HD1 LEU 21 33.312 6.312 -15.113 238 2HD1 LEU 21 2HD1 LEU 21 34.825 5.642 -14.455 239 3HD1 LEU 21 3HD1 LEU 21 34.830 7.231 -15.255 240 1HD2 LEU 21 1HD2 LEU 21 32.621 5.035 -16.997 241 2HD2 LEU 21 2HD2 LEU 21 33.145 6.565 -17.740 242 3HD2 LEU 21 3HD2 LEU 21 33.674 5.013 -18.432 243 H ASP 22 HN ASP 22 34.690 6.049 -21.158 244 HA ASP 22 HA ASP 22 34.010 8.692 -21.482 245 1HB ASP 22 2HB ASP 22 32.555 6.244 -22.589 246 2HB ASP 22 3HB ASP 22 32.481 7.863 -23.258 247 H ARG 23 HN ARG 23 31.622 9.514 -21.651 248 HA ARG 23 HA ARG 23 30.417 9.147 -19.169 249 1HB ARG 23 2HB ARG 23 29.722 10.607 -21.724 250 2HB ARG 23 3HB ARG 23 28.459 10.412 -20.525 251 1HG ARG 23 2HG ARG 23 31.197 11.676 -20.033 252 2HG ARG 23 3HG ARG 23 29.686 12.548 -20.196 253 1HD ARG 23 2HD ARG 23 29.002 10.771 -18.211 254 2HD ARG 23 3HD ARG 23 30.714 10.952 -17.884 255 HE ARG 23 HE ARG 23 29.455 13.531 -18.330 256 1HH1 ARG 23 2HH2 ARG 23 29.909 11.004 -15.925 257 2HH1 ARG 23 1HH2 ARG 23 29.690 12.069 -14.577 258 1HH2 ARG 23 2HH1 ARG 23 29.165 14.937 -16.552 259 2HH2 ARG 23 1HH1 ARG 23 29.263 14.322 -14.936 260 H ASP 24 HN ASP 24 30.449 7.156 -21.896 261 HA ASP 24 HA ASP 24 27.905 5.991 -21.090 262 1HB ASP 24 2HB ASP 24 28.943 6.714 -23.801 263 2HB ASP 24 3HB ASP 24 28.182 5.140 -23.691 264 H GLN 25 HN GLN 25 30.850 5.547 -20.368 265 HA GLN 25 HA GLN 25 31.142 2.867 -21.478 266 1HB GLN 25 2HB GLN 25 33.021 5.044 -21.074 267 2HB GLN 25 3HB GLN 25 33.541 3.654 -20.142 268 1HG GLN 25 2HG GLN 25 33.133 2.253 -22.289 269 2HG GLN 25 3HG GLN 25 32.998 3.780 -23.137 270 1HE2 GLN 25 1HE2 GLN 25 35.073 2.515 -20.528 271 2HE2 GLN 25 2HE2 GLN 25 36.598 2.906 -21.252 272 H CYS 26 HN CYS 26 30.726 1.183 -20.114 273 HA CYS 26 HA CYS 26 29.878 1.557 -17.529 274 1HB CYS 26 2HB CYS 26 29.335 -0.437 -18.829 275 2HB CYS 26 3HB CYS 26 31.014 -0.941 -18.825 276 H ALA 27 HN ALA 27 30.948 1.810 -15.573 277 HA ALA 27 HA ALA 27 33.867 1.777 -15.702 278 1HB ALA 27 1HB ALA 27 31.788 3.317 -14.288 279 2HB ALA 27 2HB ALA 27 33.126 2.797 -13.236 280 3HB ALA 27 3HB ALA 27 33.464 3.762 -14.693 281 H TYR 28 HN TYR 28 32.315 -0.728 -15.702 282 HA TYR 28 HA TYR 28 33.250 -1.764 -13.113 283 1HB TYR 28 2HB TYR 28 30.662 -1.475 -13.603 284 2HB TYR 28 3HB TYR 28 30.872 -2.741 -14.796 285 HD1 TYR 28 HD1 TYR 28 30.403 -1.991 -11.299 286 HD2 TYR 28 HD2 TYR 28 31.671 -5.034 -14.025 287 HE1 TYR 28 HE1 TYR 28 30.073 -3.753 -9.496 288 HE2 TYR 28 HE2 TYR 28 31.337 -6.785 -12.214 289 HH TYR 28 HH TYR 28 29.797 -6.913 -10.096 290 H CYS 29 HN CYS 29 32.006 -2.922 -16.334 291 HA CYS 29 HA CYS 29 34.066 -4.968 -16.254 292 1HB CYS 29 2HB CYS 29 32.832 -6.014 -18.094 293 2HB CYS 29 3HB CYS 29 31.790 -5.723 -16.715 294 H LYS 30 HN LYS 30 33.146 -1.908 -17.743 295 HA LYS 30 HA LYS 30 34.539 -0.531 -18.874 296 1HB LYS 30 2HB LYS 30 36.386 -2.362 -18.252 297 2HB LYS 30 3HB LYS 30 36.270 -2.708 -19.966 298 1HG LYS 30 2HG LYS 30 37.491 -0.864 -20.457 299 2HG LYS 30 3HG LYS 30 36.318 0.160 -19.654 300 1HD LYS 30 2HD LYS 30 38.150 -1.376 -17.849 301 2HD LYS 30 3HD LYS 30 38.907 -0.122 -18.813 302 1HE LYS 30 2HE LYS 30 36.391 0.846 -17.664 303 2HE LYS 30 3HE LYS 30 37.441 0.224 -16.407 304 1HZ LYS 30 1HZ LYS 30 37.721 2.567 -17.940 305 2HZ LYS 30 2HZ LYS 30 38.513 2.125 -16.582 306 3HZ LYS 30 3HZ LYS 30 39.072 1.656 -18.043 307 H GLU 31 HN GLU 31 32.130 -2.182 -19.629 308 HA GLU 31 HA GLU 31 32.568 -2.445 -22.476 309 1HB GLU 31 2HB GLU 31 30.270 -3.253 -20.648 310 2HB GLU 31 3HB GLU 31 30.178 -3.388 -22.393 311 1HG GLU 31 2HG GLU 31 32.022 -4.957 -22.469 312 2HG GLU 31 3HG GLU 31 32.460 -4.632 -20.803 313 H LYS 32 HN LYS 32 32.048 -0.809 -23.861 314 HA LYS 32 HA LYS 32 30.650 1.473 -22.808 315 1HB LYS 32 2HB LYS 32 32.614 1.831 -24.171 316 2HB LYS 32 3HB LYS 32 31.940 0.892 -25.488 317 1HG LYS 32 2HG LYS 32 30.305 3.207 -24.469 318 2HG LYS 32 3HG LYS 32 31.745 3.587 -25.390 319 1HD LYS 32 2HD LYS 32 29.607 1.640 -26.367 320 2HD LYS 32 3HD LYS 32 29.601 3.347 -26.763 321 1HE LYS 32 2HE LYS 32 31.921 3.079 -27.748 322 2HE LYS 32 3HE LYS 32 31.818 1.357 -27.442 323 1HZ LYS 32 1HZ LYS 32 29.509 2.041 -28.747 324 2HZ LYS 32 2HZ LYS 32 30.698 2.825 -29.545 325 3HZ LYS 32 3HZ LYS 32 30.771 1.205 -29.356 326 H GLY 33 HN GLY 33 28.514 1.919 -23.020 327 1HA GLY 33 1HA GLY 33 26.744 1.810 -24.864 328 2HA GLY 33 2HA GLY 33 26.940 0.076 -24.699 329 H HIS 34 HN HIS 34 27.367 -0.100 -21.853 330 HA HIS 34 HA HIS 34 24.768 0.863 -20.899 331 1HB HIS 34 2HB HIS 34 24.479 -1.158 -19.663 332 2HB HIS 34 3HB HIS 34 24.830 -1.583 -21.326 333 HD1 HIS 34 HD1 HIS 34 26.686 -3.236 -21.694 334 HD2 HIS 34 HD2 HIS 34 26.875 -1.438 -17.909 335 HE1 HIS 34 HE1 HIS 34 28.554 -4.429 -20.429 336 H TRP 35 HN TRP 35 24.659 1.306 -18.547 337 HA TRP 35 HA TRP 35 27.153 2.503 -17.683 338 1HB TRP 35 2HB TRP 35 24.277 2.847 -17.099 339 2HB TRP 35 3HB TRP 35 25.354 3.075 -15.734 340 HD1 TRP 35 HD1 TRP 35 26.018 4.211 -19.414 341 HE1 TRP 35 HE1 TRP 35 26.452 6.812 -19.515 342 HE3 TRP 35 HE3 TRP 35 25.135 5.079 -14.482 343 HZ2 TRP 35 HZ2 TRP 35 26.378 8.894 -17.565 344 HZ3 TRP 35 HZ3 TRP 35 25.338 7.425 -13.662 345 HH2 TRP 35 HH2 TRP 35 25.935 9.298 -15.115 346 H ALA 36 HN ALA 36 27.919 2.119 -15.411 347 HA ALA 36 HA ALA 36 28.243 -0.600 -14.913 348 1HB ALA 36 1HB ALA 36 29.861 1.033 -14.172 349 2HB ALA 36 2HB ALA 36 28.640 1.872 -13.185 350 3HB ALA 36 3HB ALA 36 29.188 0.243 -12.727 351 H LYS 37 HN LYS 37 25.844 1.796 -13.779 352 HA LYS 37 HA LYS 37 24.825 0.208 -11.689 353 1HB LYS 37 2HB LYS 37 23.855 2.615 -13.215 354 2HB LYS 37 3HB LYS 37 22.791 1.796 -12.089 355 1HG LYS 37 2HG LYS 37 23.996 2.468 -10.238 356 2HG LYS 37 3HG LYS 37 25.541 2.320 -11.053 357 1HD LYS 37 2HD LYS 37 25.486 4.489 -11.868 358 2HD LYS 37 3HD LYS 37 23.745 4.490 -12.070 359 1HE LYS 37 2HE LYS 37 24.769 4.346 -9.247 360 2HE LYS 37 3HE LYS 37 24.997 5.867 -10.088 361 1HZ LYS 37 1HZ LYS 37 22.763 6.169 -10.283 362 2HZ LYS 37 2HZ LYS 37 22.391 4.582 -10.198 363 3HZ LYS 37 3HZ LYS 37 22.816 5.394 -8.846 364 H ASP 38 HN ASP 38 24.826 -0.231 -15.062 365 HA ASP 38 HA ASP 38 22.520 -1.990 -14.780 366 1HB ASP 38 2HB ASP 38 22.606 0.226 -16.423 367 2HB ASP 38 3HB ASP 38 23.213 -1.004 -17.513 368 H CYS 39 HN CYS 39 25.594 -2.244 -14.521 369 HA CYS 39 HA CYS 39 26.573 -3.522 -16.806 370 1HB CYS 39 2HB CYS 39 27.985 -2.542 -15.002 371 2HB CYS 39 3HB CYS 39 27.497 -3.840 -13.931 372 HA PRO 40 HA PRO 40 24.406 -7.295 -16.230 373 1HB PRO 40 2HB PRO 40 25.403 -8.641 -18.390 374 2HB PRO 40 3HB PRO 40 24.050 -7.531 -18.492 375 1HG PRO 40 2HG PRO 40 26.848 -7.128 -19.359 376 2HG PRO 40 3HG PRO 40 25.415 -6.233 -19.823 377 1HD PRO 40 2HD PRO 40 27.437 -5.395 -17.968 378 2HD PRO 40 3HD PRO 40 25.948 -4.553 -18.347 379 H LYS 41 HN LYS 41 27.511 -6.677 -15.557 380 HA LYS 41 HA LYS 41 28.166 -9.477 -15.072 381 1HB LYS 41 2HB LYS 41 29.656 -7.211 -15.879 382 2HB LYS 41 3HB LYS 41 30.206 -7.599 -14.262 383 1HG LYS 41 2HG LYS 41 30.014 -10.123 -15.421 384 2HG LYS 41 3HG LYS 41 30.517 -9.139 -16.782 385 1HD LYS 41 2HD LYS 41 32.638 -9.239 -15.987 386 2HD LYS 41 3HD LYS 41 32.129 -8.234 -14.645 387 1HE LYS 41 2HE LYS 41 33.114 -10.206 -13.670 388 2HE LYS 41 3HE LYS 41 31.384 -10.360 -13.438 389 1HZ LYS 41 1HZ LYS 41 32.357 -12.376 -14.291 390 2HZ LYS 41 2HZ LYS 41 31.299 -11.767 -15.376 391 3HZ LYS 41 3HZ LYS 41 32.906 -11.606 -15.622 392 H LYS 42 HN LYS 42 26.927 -6.612 -13.519 393 HA LYS 42 HA LYS 42 27.672 -7.599 -10.886 394 1HB LYS 42 2HB LYS 42 27.013 -5.483 -10.060 395 2HB LYS 42 3HB LYS 42 27.899 -5.174 -11.539 396 1HG LYS 42 2HG LYS 42 26.068 -4.306 -12.601 397 2HG LYS 42 3HG LYS 42 25.010 -5.575 -12.019 398 1HD LYS 42 2HD LYS 42 24.100 -3.983 -10.668 399 2HD LYS 42 3HD LYS 42 25.536 -4.172 -9.680 400 1HE LYS 42 2HE LYS 42 26.632 -2.417 -11.293 401 2HE LYS 42 3HE LYS 42 24.995 -2.073 -11.814 402 1HZ LYS 42 1HZ LYS 42 25.932 -0.762 -9.887 403 2HZ LYS 42 2HZ LYS 42 24.421 -1.357 -9.712 404 3HZ LYS 42 3HZ LYS 42 25.679 -2.091 -8.973 405 HA PRO 43 HA PRO 43 23.831 -9.501 -10.332 406 1HB PRO 43 2HB PRO 43 23.822 -9.786 -7.615 407 2HB PRO 43 3HB PRO 43 24.677 -10.874 -8.689 408 1HG PRO 43 2HG PRO 43 25.771 -8.751 -6.948 409 2HG PRO 43 3HG PRO 43 26.606 -10.103 -7.687 410 1HD PRO 43 2HD PRO 43 26.673 -7.367 -8.547 411 2HD PRO 43 3HD PRO 43 27.412 -8.737 -9.352 412 H ARG 44 HN ARG 44 23.369 -7.006 -11.066 413 HA ARG 44 HA ARG 44 21.943 -5.391 -10.913 414 1HB ARG 44 2HB ARG 44 20.552 -7.453 -9.171 415 2HB ARG 44 3HB ARG 44 19.849 -5.857 -9.340 416 1HG ARG 44 2HG ARG 44 18.832 -6.796 -11.176 417 2HG ARG 44 3HG ARG 44 20.338 -6.376 -11.967 418 1HD ARG 44 2HD ARG 44 20.697 -8.573 -12.412 419 2HD ARG 44 3HD ARG 44 20.800 -8.893 -10.692 420 HE ARG 44 HE ARG 44 18.066 -8.756 -11.159 421 1HH1 ARG 44 2HH2 ARG 44 20.705 -10.628 -12.543 422 2HH1 ARG 44 1HH2 ARG 44 19.704 -11.985 -12.939 423 1HH2 ARG 44 2HH1 ARG 44 16.745 -10.546 -11.681 424 2HH2 ARG 44 1HH1 ARG 44 17.437 -11.939 -12.444 425 H GLY 45 HN GLY 45 22.383 -3.440 -9.931 426 1HA GLY 45 1HA GLY 45 23.031 -3.486 -7.050 427 2HA GLY 45 2HA GLY 45 23.656 -2.347 -8.227 428 HA PRO 46 HA PRO 46 23.820 -1.249 -6.464 429 1HB PRO 46 2HB PRO 46 23.423 0.026 -4.079 430 2HB PRO 46 3HB PRO 46 23.725 0.875 -5.582 431 1HG PRO 46 2HG PRO 46 21.182 0.559 -4.110 432 2HG PRO 46 3HG PRO 46 21.594 1.728 -5.350 433 1HD PRO 46 2HD PRO 46 19.974 -0.618 -5.673 434 2HD PRO 46 3HD PRO 46 20.484 0.486 -6.935 435 H ARG 47 HN ARG 47 25.102 -2.092 -4.591 436 HA ARG 47 HA ARG 47 23.737 -3.624 -2.724 437 1HB ARG 47 2HB ARG 47 23.579 -4.938 -5.071 438 2HB ARG 47 3HB ARG 47 25.200 -5.446 -4.644 439 1HG ARG 47 2HG ARG 47 23.531 -5.700 -2.294 440 2HG ARG 47 3HG ARG 47 22.695 -6.453 -3.638 441 1HD ARG 47 2HD ARG 47 25.570 -7.121 -3.619 442 2HD ARG 47 3HD ARG 47 24.779 -7.594 -2.129 443 HE ARG 47 HE ARG 47 24.439 -8.850 -4.696 444 1HH1 ARG 47 2HH2 ARG 47 22.614 -7.941 -1.828 445 2HH1 ARG 47 1HH2 ARG 47 21.429 -9.188 -2.031 446 1HH2 ARG 47 2HH1 ARG 47 22.876 -10.495 -4.965 447 2HH2 ARG 47 1HH1 ARG 47 21.579 -10.650 -3.827 448 H GLY 48 HN GLY 48 25.164 -3.718 -1.008 449 1HA GLY 48 1HA GLY 48 27.944 -4.362 -1.425 450 2HA GLY 48 2HA GLY 48 27.672 -2.689 -0.977 451 HA PRO 49 HA PRO 49 27.804 -4.846 2.953 452 1HB PRO 49 2HB PRO 49 29.276 -2.976 4.296 453 2HB PRO 49 3HB PRO 49 29.992 -4.338 3.459 454 1HG PRO 49 2HG PRO 49 29.918 -1.497 2.647 455 2HG PRO 49 3HG PRO 49 30.966 -2.777 2.068 456 1HD PRO 49 2HD PRO 49 28.687 -1.680 0.715 457 2HD PRO 49 3HD PRO 49 29.665 -3.036 0.191 458 H ARG 50 HN ARG 50 25.521 -4.649 3.057 459 HA ARG 50 HA ARG 50 24.892 -2.479 4.855 460 1HB ARG 50 2HB ARG 50 23.465 -3.072 2.225 461 2HB ARG 50 3HB ARG 50 22.660 -2.213 3.523 462 1HG ARG 50 2HG ARG 50 25.394 -1.267 2.637 463 2HG ARG 50 3HG ARG 50 24.008 -0.890 1.632 464 1HD ARG 50 2HD ARG 50 22.878 0.226 3.523 465 2HD ARG 50 3HD ARG 50 24.155 -0.261 4.620 466 HE ARG 50 HE ARG 50 25.570 1.406 3.716 467 1HH1 ARG 50 2HH2 ARG 50 22.640 1.106 1.791 468 2HH1 ARG 50 1HH2 ARG 50 22.930 2.558 0.891 469 1HH2 ARG 50 2HH1 ARG 50 25.953 3.321 2.529 470 2HH2 ARG 50 1HH1 ARG 50 24.828 3.825 1.313 471 HA PRO 51 HA PRO 51 22.589 -5.686 6.713 472 1HB PRO 51 2HB PRO 51 20.893 -4.272 8.323 473 2HB PRO 51 3HB PRO 51 22.563 -4.601 8.743 474 1HG PRO 51 2HG PRO 51 21.350 -2.073 7.804 475 2HG PRO 51 3HG PRO 51 22.881 -2.320 8.620 476 1HD PRO 51 2HD PRO 51 22.490 -1.811 5.825 477 2HD PRO 51 3HD PRO 51 24.008 -2.173 6.622 478 H GLN 52 HN GLN 52 20.334 -3.068 5.941 479 HA GLN 52 HA GLN 52 18.272 -3.183 5.202 480 1HB GLN 52 2HB GLN 52 20.034 -3.828 3.199 481 2HB GLN 52 3HB GLN 52 18.943 -5.196 3.105 482 1HG GLN 52 2HG GLN 52 17.223 -3.930 2.283 483 2HG GLN 52 3HG GLN 52 17.516 -2.623 3.413 484 1HE2 GLN 52 1HE2 GLN 52 18.125 -3.927 0.281 485 2HE2 GLN 52 2HE2 GLN 52 18.996 -2.593 -0.400 486 H THR 53 HN THR 53 17.048 -4.167 6.852 487 HA THR 53 HA THR 53 15.753 -5.704 7.803 488 HB THR 53 HB THR 53 16.059 -6.890 5.005 489 HG1 THR 53 HG1 THR 53 14.318 -5.528 4.772 490 1HG2 THR 53 1HG2 THR 53 15.322 -8.828 6.157 491 2HG2 THR 53 2HG2 THR 53 14.499 -7.877 7.417 492 3HG2 THR 53 3HG2 THR 53 13.782 -8.013 5.794 493 H SER 54 HN SER 54 17.741 -7.991 5.838 494 HA SER 54 HA SER 54 19.222 -9.475 6.425 495 1HB SER 54 2HB SER 54 19.776 -7.435 8.230 496 2HB SER 54 3HB SER 54 19.527 -8.804 9.295 497 HG SER 54 HG SER 54 21.342 -8.734 7.035 498 H LEU 55 HN LEU 55 18.599 -11.590 6.686 499 HA LEU 55 HA LEU 55 17.568 -12.588 9.080 500 1HB LEU 55 2HB LEU 55 15.597 -11.235 8.275 501 2HB LEU 55 3HB LEU 55 15.472 -12.344 6.925 502 HG LEU 55 HG LEU 55 13.878 -12.913 8.666 503 1HD1 LEU 55 1HD1 LEU 55 14.929 -14.700 7.269 504 2HD1 LEU 55 2HD1 LEU 55 16.059 -15.012 8.610 505 3HD1 LEU 55 3HD1 LEU 55 14.311 -15.260 8.842 506 1HD2 LEU 55 1HD2 LEU 55 15.485 -14.001 10.726 507 2HD2 LEU 55 2HD2 LEU 55 16.072 -12.349 10.423 508 3HD2 LEU 55 3HD2 LEU 55 14.357 -12.627 10.810 509 H LEU 56 HN LEU 56 19.401 -13.941 8.525 510 HA LEU 56 HA LEU 56 18.899 -15.702 6.240 511 1HB LEU 56 2HB LEU 56 21.310 -14.656 7.595 512 2HB LEU 56 3HB LEU 56 21.391 -16.328 7.079 513 HG LEU 56 HG LEU 56 20.354 -15.013 4.854 514 1HD1 LEU 56 1HD1 LEU 56 20.845 -12.839 5.853 515 2HD1 LEU 56 2HD1 LEU 56 22.547 -13.311 6.071 516 3HD1 LEU 56 3HD1 LEU 56 21.873 -13.143 4.432 517 1HD2 LEU 56 1HD2 LEU 56 22.778 -16.428 5.640 518 2HD2 LEU 56 2HD2 LEU 56 21.861 -16.476 4.114 519 3HD2 LEU 56 3HD2 LEU 56 23.081 -15.207 4.380 Start of MODEL 3 1 1H5* C 504 1H5* C 504 36.459 -4.640 -2.060 2 2H5* C 504 2H5* C 504 37.370 -4.781 -3.562 3 H4* C 504 H4* C 504 36.057 -6.817 -2.815 4 H3* C 504 H3* C 504 35.393 -5.760 -5.591 5 H2* C 504 H2* C 504 34.820 -8.023 -6.001 6 2HO* C 504 2HO* C 504 35.509 -9.362 -3.878 7 H1* C 504 H1* C 504 33.656 -8.328 -3.428 8 1H4 C 504 1H4 C 504 28.680 -7.472 -7.332 9 2H4 C 504 2H4 C 504 29.005 -5.753 -7.358 10 H5 C 504 H5 C 504 30.877 -4.751 -6.326 11 H6 C 504 H6 C 504 32.920 -5.156 -4.998 12 1H5* C 505 1H5* C 505 39.861 -7.161 -7.248 13 2H5* C 505 2H5* C 505 39.985 -5.677 -8.194 14 H4* C 505 H4* C 505 40.155 -7.587 -9.649 15 H3* C 505 H3* C 505 37.698 -5.893 -9.934 16 H2* C 505 H2* C 505 36.930 -7.243 -11.729 17 2HO* C 505 2HO* C 505 39.469 -8.556 -11.368 18 H1* C 505 H1* C 505 37.480 -9.645 -10.330 19 1H4 C 505 1H4 C 505 31.200 -8.718 -9.607 20 2H4 C 505 2H4 C 505 31.531 -7.602 -8.301 21 H5 C 505 H5 C 505 33.702 -6.911 -7.678 22 H6 C 505 H6 C 505 36.114 -7.123 -8.161 23 1H5* U 506 1H5* U 506 39.434 -2.013 -9.561 24 2H5* U 506 2H5* U 506 38.127 -2.409 -8.446 25 H4* U 506 H4* U 506 37.610 -1.295 -10.743 26 H3* U 506 H3* U 506 36.050 -3.534 -9.464 27 H2* U 506 H2* U 506 34.611 -3.591 -11.273 28 2HO* U 506 2HO* U 506 35.425 -1.115 -12.316 29 H1* U 506 H1* U 506 36.771 -2.467 -12.997 30 H3 U 506 H3 U 506 36.661 -5.737 -16.056 31 H5 U 506 H5 U 506 34.684 -7.471 -12.797 32 H6 U 506 H6 U 506 35.206 -5.439 -11.527 33 1H5* C 507 1H5* C 507 34.183 0.700 -10.418 34 2H5* C 507 2H5* C 507 33.810 1.016 -8.724 35 H4* C 507 H4* C 507 32.406 2.043 -10.753 36 H3* C 507 H3* C 507 31.543 1.329 -7.968 37 H2* C 507 H2* C 507 29.324 2.028 -8.458 38 2HO* C 507 2HO* C 507 30.544 2.807 -10.950 39 H1* C 507 H1* C 507 29.235 0.584 -10.868 40 1H4 C 507 1H4 C 507 26.485 -3.133 -6.430 41 2H4 C 507 2H4 C 507 28.044 -3.877 -6.157 42 H5 C 507 H5 C 507 30.053 -3.125 -7.147 43 H6 C 507 H6 C 507 31.070 -1.457 -8.658 44 1H5* C 508 1H5* C 508 32.486 6.252 -6.494 45 2H5* C 508 2H5* C 508 32.023 6.285 -8.196 46 H4* C 508 H4* C 508 33.666 8.079 -7.071 47 H3* C 508 H3* C 508 33.512 7.085 -9.900 48 H2* C 508 H2* C 508 35.347 8.459 -10.506 49 2HO* C 508 2HO* C 508 34.780 10.253 -9.273 50 H1* C 508 H1* C 508 36.845 7.691 -8.221 51 1H4 C 508 1H4 C 508 39.396 3.740 -12.491 52 2H4 C 508 2H4 C 508 37.817 3.351 -13.138 53 H5 C 508 H5 C 508 35.799 4.266 -12.322 54 H6 C 508 H6 C 508 34.786 5.794 -10.667 55 1H5* G 509 1H5* G 509 32.409 11.006 -11.852 56 2H5* G 509 2H5* G 509 31.303 12.223 -11.216 57 H4* G 509 H4* G 509 30.254 11.754 -13.176 58 H3* G 509 H3* G 509 29.150 9.712 -11.238 59 H2* G 509 H2* G 509 27.685 8.985 -12.927 60 2HO* G 509 2HO* G 509 26.995 10.944 -13.705 61 H1* G 509 H1* G 509 29.734 9.334 -14.947 62 H8 G 509 H8 G 509 29.491 7.243 -11.729 63 H1 G 509 H1 G 509 29.731 3.880 -17.252 64 1H2 G 509 1H2 G 509 29.844 5.183 -18.847 65 2H2 G 509 2H2 G 509 29.870 6.926 -18.708 66 1H5* U 510 1H5* U 510 25.343 9.528 -10.665 67 2H5* U 510 2H5* U 510 26.284 10.485 -11.809 68 H4* U 510 H4* U 510 24.961 12.285 -10.032 69 H3* U 510 H3* U 510 23.213 10.027 -10.974 70 H2* U 510 H2* U 510 21.459 11.547 -11.412 71 2HO* U 510 2HO* U 510 21.854 13.793 -10.616 72 H1* U 510 H1* U 510 23.290 13.443 -12.569 73 H3 U 510 H3 U 510 20.124 12.432 -15.744 74 H5 U 510 H5 U 510 22.912 9.312 -15.912 75 H6 U 510 H6 U 510 23.917 10.231 -13.873 76 1H ALA 1 HN ALA 1 69.250 14.969 -25.875 77 HA ALA 1 HA ALA 1 67.538 16.625 -27.569 78 1HB ALA 1 1HB ALA 1 65.853 15.120 -27.671 79 2HB ALA 1 2HB ALA 1 67.082 13.908 -27.239 80 3HB ALA 1 3HB ALA 1 66.067 14.636 -25.971 81 H THR 2 HN THR 2 66.677 18.334 -26.454 82 HA THR 2 HA THR 2 67.571 18.815 -23.819 83 HB THR 2 HB THR 2 66.134 20.858 -24.097 84 HG1 THR 2 HG1 THR 2 64.519 19.401 -25.317 85 1HG2 THR 2 1HG2 THR 2 68.106 21.331 -25.284 86 2HG2 THR 2 2HG2 THR 2 67.923 19.914 -26.344 87 3HG2 THR 2 3HG2 THR 2 66.930 21.365 -26.619 88 H VAL 3 HN VAL 3 66.768 18.326 -21.867 89 HA VAL 3 HA VAL 3 64.372 16.721 -21.813 90 HB VAL 3 HB VAL 3 64.969 16.416 -19.453 91 1HG1 VAL 3 1HG1 VAL 3 67.414 16.056 -21.210 92 2HG1 VAL 3 2HG1 VAL 3 66.919 15.076 -19.808 93 3HG1 VAL 3 3HG1 VAL 3 65.964 15.028 -21.311 94 1HG2 VAL 3 1HG2 VAL 3 67.382 18.168 -20.020 95 2HG2 VAL 3 2HG2 VAL 3 65.941 18.701 -19.120 96 3HG2 VAL 3 3HG2 VAL 3 66.950 17.382 -18.482 97 H VAL 4 HN VAL 4 62.638 17.186 -20.161 98 HA VAL 4 HA VAL 4 62.393 19.897 -19.279 99 HB VAL 4 HB VAL 4 61.804 20.009 -21.703 100 1HG1 VAL 4 1HG1 VAL 4 59.916 18.947 -22.607 101 2HG1 VAL 4 2HG1 VAL 4 60.704 17.675 -21.644 102 3HG1 VAL 4 3HG1 VAL 4 59.273 18.517 -21.004 103 1HG2 VAL 4 1HG2 VAL 4 59.496 20.588 -19.818 104 2HG2 VAL 4 2HG2 VAL 4 60.938 21.613 -20.014 105 3HG2 VAL 4 3HG2 VAL 4 59.824 21.374 -21.381 106 H SER 5 HN SER 5 60.581 20.149 -17.800 107 HA SER 5 HA SER 5 58.851 17.983 -17.345 108 1HB SER 5 2HB SER 5 59.675 17.428 -15.030 109 2HB SER 5 3HB SER 5 60.755 16.906 -16.308 110 HG SER 5 HG SER 5 62.243 18.429 -15.759 111 H GLY 6 HN GLY 6 57.006 19.064 -16.768 112 1HA GLY 6 1HA GLY 6 56.894 20.813 -14.552 113 2HA GLY 6 2HA GLY 6 56.934 21.749 -16.033 114 H GLN 7 HN GLN 7 54.728 21.247 -13.987 115 HA GLN 7 HA GLN 7 52.720 20.673 -15.967 116 1HB GLN 7 2HB GLN 7 53.496 18.684 -14.108 117 2HB GLN 7 3HB GLN 7 51.997 19.332 -13.473 118 1HG GLN 7 2HG GLN 7 51.274 19.125 -16.082 119 2HG GLN 7 3HG GLN 7 52.499 17.872 -16.053 120 1HE2 GLN 7 1HE2 GLN 7 49.736 17.485 -16.474 121 2HE2 GLN 7 2HE2 GLN 7 49.096 16.506 -15.196 122 H LYS 8 HN LYS 8 50.993 22.068 -15.747 123 HA LYS 8 HA LYS 8 51.017 23.730 -13.341 124 1HB LYS 8 2HB LYS 8 50.512 24.203 -16.193 125 2HB LYS 8 3HB LYS 8 49.282 24.899 -15.156 126 1HG LYS 8 2HG LYS 8 50.700 26.502 -14.373 127 2HG LYS 8 3HG LYS 8 51.971 25.337 -14.053 128 1HD LYS 8 2HD LYS 8 53.050 25.795 -16.014 129 2HD LYS 8 3HD LYS 8 51.565 25.771 -16.944 130 1HE LYS 8 2HE LYS 8 51.154 28.097 -15.608 131 2HE LYS 8 3HE LYS 8 52.905 28.083 -15.563 132 1HZ LYS 8 1HZ LYS 8 52.290 29.138 -17.532 133 2HZ LYS 8 2HZ LYS 8 52.784 27.655 -18.006 134 3HZ LYS 8 3HZ LYS 8 51.189 28.001 -17.937 135 H GLN 9 HN GLN 9 49.314 23.765 -11.917 136 HA GLN 9 HA GLN 9 46.836 22.582 -12.744 137 1HB GLN 9 2HB GLN 9 48.677 21.312 -10.711 138 2HB GLN 9 3HB GLN 9 46.944 21.179 -10.487 139 1HG GLN 9 2HG GLN 9 46.997 19.418 -11.921 140 2HG GLN 9 3HG GLN 9 47.280 20.574 -13.207 141 1HE2 GLN 9 1HE2 GLN 9 48.907 18.666 -10.703 142 2HE2 GLN 9 2HE2 GLN 9 50.388 18.387 -11.555 143 H ASP 10 HN ASP 10 46.314 24.913 -12.454 144 HA ASP 10 HA ASP 10 46.195 25.628 -9.633 145 1HB ASP 10 2HB ASP 10 47.430 27.221 -11.082 146 2HB ASP 10 3HB ASP 10 46.049 27.352 -12.152 147 H ARG 11 HN ARG 11 44.136 25.354 -8.764 148 HA ARG 11 HA ARG 11 41.992 25.107 -8.603 149 1HB ARG 11 2HB ARG 11 42.259 27.466 -10.453 150 2HB ARG 11 3HB ARG 11 40.652 26.787 -10.282 151 1HG ARG 11 2HG ARG 11 42.371 27.491 -7.866 152 2HG ARG 11 3HG ARG 11 41.315 28.664 -8.627 153 1HD ARG 11 2HD ARG 11 40.175 25.967 -7.856 154 2HD ARG 11 3HD ARG 11 40.441 27.160 -6.599 155 HE ARG 11 HE ARG 11 39.111 28.639 -8.483 156 1HH1 ARG 11 2HH2 ARG 11 38.440 25.492 -7.060 157 2HH1 ARG 11 1HH2 ARG 11 36.722 25.638 -7.231 158 1HH2 ARG 11 2HH1 ARG 11 36.845 28.834 -8.707 159 2HH2 ARG 11 1HH1 ARG 11 35.810 27.553 -8.174 160 H GLN 12 HN GLN 12 41.385 23.054 -9.305 161 HA GLN 12 HA GLN 12 40.479 22.916 -12.054 162 1HB GLN 12 2HB GLN 12 42.819 21.570 -11.037 163 2HB GLN 12 3HB GLN 12 41.603 20.357 -11.380 164 1HG GLN 12 2HG GLN 12 42.805 20.653 -13.434 165 2HG GLN 12 3HG GLN 12 41.275 21.474 -13.668 166 1HE2 GLN 12 1HE2 GLN 12 42.243 22.716 -15.301 167 2HE2 GLN 12 2HE2 GLN 12 43.254 24.078 -14.952 168 H GLY 13 HN GLY 13 38.691 21.478 -12.380 169 1HA GLY 13 1HA GLY 13 37.408 20.646 -9.861 170 2HA GLY 13 2HA GLY 13 36.596 21.034 -11.364 171 H GLY 14 HN GLY 14 38.600 18.614 -9.657 172 1HA GLY 14 1HA GLY 14 37.328 16.462 -11.024 173 2HA GLY 14 2HA GLY 14 38.955 16.716 -11.624 174 H GLU 15 HN GLU 15 36.974 15.853 -8.789 175 HA GLU 15 HA GLU 15 38.715 15.775 -6.790 176 1HB GLU 15 2HB GLU 15 36.366 15.028 -6.630 177 2HB GLU 15 3HB GLU 15 36.737 13.579 -7.543 178 1HG GLU 15 2HG GLU 15 36.693 13.068 -5.130 179 2HG GLU 15 3HG GLU 15 38.310 12.835 -5.764 180 H ARG 16 HN ARG 16 38.271 13.011 -9.124 181 HA ARG 16 HA ARG 16 41.098 12.566 -8.986 182 1HB ARG 16 2HB ARG 16 39.043 10.695 -7.809 183 2HB ARG 16 3HB ARG 16 40.387 9.967 -8.667 184 1HG ARG 16 2HG ARG 16 41.805 10.375 -6.941 185 2HG ARG 16 3HG ARG 16 41.388 12.077 -6.929 186 1HD ARG 16 2HD ARG 16 39.977 11.835 -5.145 187 2HD ARG 16 3HD ARG 16 39.215 10.412 -5.830 188 HE ARG 16 HE ARG 16 41.940 9.966 -4.796 189 1HH1 ARG 16 2HH2 ARG 16 38.492 9.883 -4.097 190 2HH1 ARG 16 1HH2 ARG 16 38.659 8.785 -2.768 191 1HH2 ARG 16 2HH1 ARG 16 42.161 8.519 -3.043 192 2HH2 ARG 16 1HH1 ARG 16 40.760 8.004 -2.164 193 H ARG 17 HN ARG 17 41.831 11.933 -11.016 194 HA ARG 17 HA ARG 17 40.218 12.006 -13.168 195 1HB ARG 17 2HB ARG 17 42.950 10.944 -12.586 196 2HB ARG 17 3HB ARG 17 42.218 10.304 -14.044 197 1HG ARG 17 2HG ARG 17 41.633 13.041 -14.200 198 2HG ARG 17 3HG ARG 17 43.237 13.024 -13.495 199 1HD ARG 17 2HD ARG 17 44.021 12.758 -15.618 200 2HD ARG 17 3HD ARG 17 43.454 11.103 -15.512 201 HE ARG 17 HE ARG 17 41.615 11.644 -16.882 202 1HH1 ARG 17 2HH2 ARG 17 43.252 14.583 -15.849 203 2HH1 ARG 17 1HH2 ARG 17 42.377 15.606 -16.939 204 1HH2 ARG 17 2HH1 ARG 17 40.459 12.994 -18.320 205 2HH2 ARG 17 1HH1 ARG 17 40.777 14.696 -18.354 206 H ARG 18 HN ARG 18 39.462 10.292 -14.695 207 HA ARG 18 HA ARG 18 39.284 7.668 -13.515 208 1HB ARG 18 2HB ARG 18 37.172 9.322 -13.104 209 2HB ARG 18 3HB ARG 18 36.742 8.770 -14.710 210 1HG ARG 18 2HG ARG 18 37.409 6.897 -12.391 211 2HG ARG 18 3HG ARG 18 35.778 7.363 -12.829 212 1HD ARG 18 2HD ARG 18 36.042 5.322 -13.986 213 2HD ARG 18 3HD ARG 18 36.401 6.500 -15.233 214 HE ARG 18 HE ARG 18 38.817 5.812 -13.816 215 1HH1 ARG 18 2HH2 ARG 18 36.556 4.537 -16.191 216 2HH1 ARG 18 1HH2 ARG 18 37.730 3.509 -16.945 217 1HH2 ARG 18 2HH1 ARG 18 40.366 4.457 -14.810 218 2HH2 ARG 18 1HH1 ARG 18 39.911 3.464 -16.154 219 H SER 19 HN SER 19 40.963 8.293 -15.591 220 HA SER 19 HA SER 19 41.394 8.115 -17.739 221 1HB SER 19 2HB SER 19 41.328 5.759 -16.966 222 2HB SER 19 3HB SER 19 39.626 5.657 -17.367 223 HG SER 19 HG SER 19 40.105 5.349 -19.436 224 H GLN 20 HN GLN 20 39.573 10.083 -17.667 225 HA GLN 20 HA GLN 20 37.782 11.016 -18.553 226 1HB GLN 20 2HB GLN 20 39.692 10.726 -20.388 227 2HB GLN 20 3HB GLN 20 38.503 9.709 -21.177 228 1HG GLN 20 2HG GLN 20 37.009 11.481 -21.539 229 2HG GLN 20 3HG GLN 20 37.594 12.402 -20.169 230 1HE2 GLN 20 1HE2 GLN 20 38.162 14.271 -21.046 231 2HE2 GLN 20 2HE2 GLN 20 39.329 14.500 -22.305 232 H LEU 21 HN LEU 21 36.727 8.949 -17.222 233 HA LEU 21 HA LEU 21 35.557 6.854 -18.408 234 1HB LEU 21 2HB LEU 21 35.385 8.047 -15.998 235 2HB LEU 21 3HB LEU 21 33.794 8.428 -16.624 236 HG LEU 21 HG LEU 21 34.977 5.654 -16.331 237 1HD1 LEU 21 1HD1 LEU 21 32.800 7.078 -14.777 238 2HD1 LEU 21 2HD1 LEU 21 33.223 5.357 -14.613 239 3HD1 LEU 21 3HD1 LEU 21 34.412 6.610 -14.183 240 1HD2 LEU 21 1HD2 LEU 21 32.152 5.625 -16.767 241 2HD2 LEU 21 2HD2 LEU 21 32.925 6.557 -18.074 242 3HD2 LEU 21 3HD2 LEU 21 33.448 4.888 -17.740 243 H ASP 22 HN ASP 22 34.608 6.705 -20.370 244 HA ASP 22 HA ASP 22 33.453 8.874 -21.637 245 1HB ASP 22 2HB ASP 22 34.069 6.166 -22.226 246 2HB ASP 22 3HB ASP 22 32.345 6.303 -22.510 247 H ARG 23 HN ARG 23 31.225 9.507 -21.858 248 HA ARG 23 HA ARG 23 29.589 8.939 -19.712 249 1HB ARG 23 2HB ARG 23 29.615 10.876 -21.598 250 2HB ARG 23 3HB ARG 23 28.383 9.863 -22.323 251 1HG ARG 23 2HG ARG 23 27.417 11.605 -20.801 252 2HG ARG 23 3HG ARG 23 27.000 9.977 -20.305 253 1HD ARG 23 2HD ARG 23 28.206 10.121 -18.350 254 2HD ARG 23 3HD ARG 23 29.538 10.965 -19.114 255 HE ARG 23 HE ARG 23 27.579 12.887 -19.123 256 1HH1 ARG 23 2HH2 ARG 23 28.821 10.785 -16.590 257 2HH1 ARG 23 1HH2 ARG 23 28.483 11.909 -15.316 258 1HH2 ARG 23 2HH1 ARG 23 27.133 14.370 -17.442 259 2HH2 ARG 23 1HH1 ARG 23 27.517 13.961 -15.804 260 H ASP 24 HN ASP 24 30.340 7.055 -22.466 261 HA ASP 24 HA ASP 24 27.890 5.526 -22.070 262 1HB ASP 24 2HB ASP 24 28.109 4.812 -24.472 263 2HB ASP 24 3HB ASP 24 27.790 6.525 -24.285 264 H GLN 25 HN GLN 25 30.446 5.283 -20.640 265 HA GLN 25 HA GLN 25 31.284 2.697 -21.693 266 1HB GLN 25 2HB GLN 25 33.019 4.482 -22.075 267 2HB GLN 25 3HB GLN 25 33.096 4.748 -20.344 268 1HG GLN 25 2HG GLN 25 33.836 2.423 -19.972 269 2HG GLN 25 3HG GLN 25 33.634 2.050 -21.672 270 1HE2 GLN 25 1HE2 GLN 25 35.513 3.737 -19.277 271 2HE2 GLN 25 2HE2 GLN 25 36.907 4.085 -20.245 272 H CYS 26 HN CYS 26 30.938 1.052 -20.261 273 HA CYS 26 HA CYS 26 29.853 1.570 -17.744 274 1HB CYS 26 2HB CYS 26 29.357 -0.475 -18.979 275 2HB CYS 26 3HB CYS 26 31.031 -0.986 -18.884 276 H ALA 27 HN ALA 27 30.822 1.754 -15.708 277 HA ALA 27 HA ALA 27 33.746 1.787 -15.722 278 1HB ALA 27 1HB ALA 27 33.608 3.396 -14.054 279 2HB ALA 27 2HB ALA 27 32.119 3.737 -14.966 280 3HB ALA 27 3HB ALA 27 32.041 2.796 -13.457 281 H TYR 28 HN TYR 28 32.207 -0.732 -15.754 282 HA TYR 28 HA TYR 28 33.066 -1.732 -13.126 283 1HB TYR 28 2HB TYR 28 30.492 -1.451 -13.669 284 2HB TYR 28 3HB TYR 28 30.724 -2.716 -14.859 285 HD1 TYR 28 HD1 TYR 28 30.551 -1.946 -11.271 286 HD2 TYR 28 HD2 TYR 28 31.135 -5.034 -14.174 287 HE1 TYR 28 HE1 TYR 28 30.178 -3.709 -9.479 288 HE2 TYR 28 HE2 TYR 28 30.760 -6.788 -12.372 289 HH TYR 28 HH TYR 28 30.257 -7.166 -10.308 290 H CYS 29 HN CYS 29 31.898 -2.934 -16.359 291 HA CYS 29 HA CYS 29 33.904 -5.016 -16.194 292 1HB CYS 29 2HB CYS 29 32.761 -5.960 -18.172 293 2HB CYS 29 3HB CYS 29 31.676 -5.729 -16.815 294 H LYS 30 HN LYS 30 33.276 -1.873 -17.602 295 HA LYS 30 HA LYS 30 34.797 -0.557 -18.627 296 1HB LYS 30 2HB LYS 30 36.504 -2.479 -17.966 297 2HB LYS 30 3HB LYS 30 36.429 -2.837 -19.680 298 1HG LYS 30 2HG LYS 30 37.938 -1.171 -20.000 299 2HG LYS 30 3HG LYS 30 36.659 -0.035 -19.613 300 1HD LYS 30 2HD LYS 30 37.579 -1.008 -17.102 301 2HD LYS 30 3HD LYS 30 39.029 -0.744 -18.052 302 1HE LYS 30 2HE LYS 30 36.890 1.393 -18.072 303 2HE LYS 30 3HE LYS 30 37.909 1.249 -16.655 304 1HZ LYS 30 1HZ LYS 30 39.028 2.684 -18.050 305 2HZ LYS 30 2HZ LYS 30 39.804 1.270 -18.308 306 3HZ LYS 30 3HZ LYS 30 38.723 1.821 -19.402 307 H GLU 31 HN GLU 31 32.357 -2.150 -19.569 308 HA GLU 31 HA GLU 31 32.848 -2.544 -22.336 309 1HB GLU 31 2HB GLU 31 30.432 -2.673 -20.528 310 2HB GLU 31 3HB GLU 31 30.192 -2.643 -22.263 311 1HG GLU 31 2HG GLU 31 32.221 -4.570 -21.118 312 2HG GLU 31 3HG GLU 31 30.518 -4.955 -20.961 313 H LYS 32 HN LYS 32 30.808 -1.441 -23.760 314 HA LYS 32 HA LYS 32 30.764 1.401 -23.102 315 1HB LYS 32 2HB LYS 32 32.658 0.539 -24.811 316 2HB LYS 32 3HB LYS 32 31.333 0.711 -25.943 317 1HG LYS 32 2HG LYS 32 30.951 3.060 -25.064 318 2HG LYS 32 3HG LYS 32 32.369 2.873 -24.051 319 1HD LYS 32 2HD LYS 32 33.801 2.543 -26.035 320 2HD LYS 32 3HD LYS 32 32.402 2.574 -27.090 321 1HE LYS 32 2HE LYS 32 32.101 4.958 -25.692 322 2HE LYS 32 3HE LYS 32 33.845 4.831 -25.801 323 1HZ LYS 32 1HZ LYS 32 32.966 5.926 -27.714 324 2HZ LYS 32 2HZ LYS 32 33.589 4.491 -28.183 325 3HZ LYS 32 3HZ LYS 32 31.972 4.678 -28.059 326 H GLY 33 HN GLY 33 28.641 1.868 -22.933 327 1HA GLY 33 1HA GLY 33 26.773 2.114 -24.709 328 2HA GLY 33 2HA GLY 33 26.750 0.365 -24.606 329 H HIS 34 HN HIS 34 26.987 -0.333 -22.016 330 HA HIS 34 HA HIS 34 24.638 0.921 -20.847 331 1HB HIS 34 2HB HIS 34 24.434 -1.064 -19.512 332 2HB HIS 34 3HB HIS 34 24.650 -1.522 -21.189 333 HD1 HIS 34 HD1 HIS 34 26.729 -2.904 -21.806 334 HD2 HIS 34 HD2 HIS 34 26.691 -1.623 -17.812 335 HE1 HIS 34 HE1 HIS 34 28.611 -4.165 -20.633 336 H TRP 35 HN TRP 35 24.710 0.998 -18.306 337 HA TRP 35 HA TRP 35 27.227 2.342 -17.629 338 1HB TRP 35 2HB TRP 35 24.375 2.714 -16.821 339 2HB TRP 35 3HB TRP 35 25.632 3.130 -15.673 340 HD1 TRP 35 HD1 TRP 35 25.889 3.797 -19.498 341 HE1 TRP 35 HE1 TRP 35 26.136 6.379 -19.982 342 HE3 TRP 35 HE3 TRP 35 25.267 5.293 -14.679 343 HZ2 TRP 35 HZ2 TRP 35 26.045 8.706 -18.331 344 HZ3 TRP 35 HZ3 TRP 35 25.361 7.737 -14.200 345 HH2 TRP 35 HH2 TRP 35 25.734 9.420 -15.932 346 H ALA 36 HN ALA 36 27.996 1.998 -15.334 347 HA ALA 36 HA ALA 36 28.294 -0.713 -14.798 348 1HB ALA 36 1HB ALA 36 29.410 0.051 -12.775 349 2HB ALA 36 2HB ALA 36 29.825 1.149 -14.114 350 3HB ALA 36 3HB ALA 36 28.622 1.642 -12.897 351 H LYS 37 HN LYS 37 25.942 1.729 -13.637 352 HA LYS 37 HA LYS 37 24.893 0.130 -11.568 353 1HB LYS 37 2HB LYS 37 23.939 2.571 -13.061 354 2HB LYS 37 3HB LYS 37 22.908 1.771 -11.891 355 1HG LYS 37 2HG LYS 37 24.969 1.913 -10.277 356 2HG LYS 37 3HG LYS 37 25.615 3.074 -11.420 357 1HD LYS 37 2HD LYS 37 22.857 3.770 -10.919 358 2HD LYS 37 3HD LYS 37 23.631 3.501 -9.370 359 1HE LYS 37 2HE LYS 37 23.921 5.850 -9.988 360 2HE LYS 37 3HE LYS 37 25.486 5.062 -10.043 361 1HZ LYS 37 1HZ LYS 37 23.759 5.713 -12.322 362 2HZ LYS 37 2HZ LYS 37 25.247 6.303 -11.999 363 3HZ LYS 37 3HZ LYS 37 25.067 4.745 -12.455 364 H ASP 38 HN ASP 38 24.821 -0.187 -14.974 365 HA ASP 38 HA ASP 38 22.518 -1.951 -14.690 366 1HB ASP 38 2HB ASP 38 22.455 0.318 -16.187 367 2HB ASP 38 3HB ASP 38 23.173 -0.756 -17.372 368 H CYS 39 HN CYS 39 25.534 -2.325 -14.471 369 HA CYS 39 HA CYS 39 26.495 -3.442 -16.854 370 1HB CYS 39 2HB CYS 39 27.932 -2.631 -14.992 371 2HB CYS 39 3HB CYS 39 27.405 -3.981 -14.007 372 HA PRO 40 HA PRO 40 24.325 -7.234 -16.596 373 1HB PRO 40 2HB PRO 40 25.508 -8.533 -18.689 374 2HB PRO 40 3HB PRO 40 24.188 -7.396 -18.888 375 1HG PRO 40 2HG PRO 40 27.064 -7.019 -19.465 376 2HG PRO 40 3HG PRO 40 25.697 -6.084 -20.038 377 1HD PRO 40 2HD PRO 40 27.539 -5.338 -17.970 378 2HD PRO 40 3HD PRO 40 26.106 -4.459 -18.465 379 H LYS 41 HN LYS 41 27.354 -6.692 -15.601 380 HA LYS 41 HA LYS 41 27.878 -9.524 -15.104 381 1HB LYS 41 2HB LYS 41 29.519 -7.331 -15.815 382 2HB LYS 41 3HB LYS 41 29.941 -7.736 -14.164 383 1HG LYS 41 2HG LYS 41 29.794 -10.255 -15.200 384 2HG LYS 41 3HG LYS 41 30.221 -9.381 -16.658 385 1HD LYS 41 2HD LYS 41 32.379 -9.365 -15.969 386 2HD LYS 41 3HD LYS 41 31.917 -8.317 -14.643 387 1HE LYS 41 2HE LYS 41 32.886 -10.135 -13.505 388 2HE LYS 41 3HE LYS 41 31.182 -10.535 -13.433 389 1HZ LYS 41 1HZ LYS 41 33.104 -12.108 -14.443 390 2HZ LYS 41 2HZ LYS 41 31.505 -12.284 -14.728 391 3HZ LYS 41 3HZ LYS 41 32.442 -11.483 -15.799 392 H LYS 42 HN LYS 42 26.626 -6.620 -13.656 393 HA LYS 42 HA LYS 42 27.360 -7.105 -10.996 394 1HB LYS 42 2HB LYS 42 25.384 -5.403 -12.437 395 2HB LYS 42 3HB LYS 42 25.075 -5.704 -10.738 396 1HG LYS 42 2HG LYS 42 27.301 -4.867 -10.121 397 2HG LYS 42 3HG LYS 42 27.762 -4.725 -11.805 398 1HD LYS 42 2HD LYS 42 27.149 -2.514 -11.269 399 2HD LYS 42 3HD LYS 42 25.693 -3.127 -12.026 400 1HE LYS 42 2HE LYS 42 24.571 -3.409 -9.933 401 2HE LYS 42 3HE LYS 42 26.066 -3.352 -9.019 402 1HZ LYS 42 1HZ LYS 42 26.108 -0.995 -10.217 403 2HZ LYS 42 2HZ LYS 42 24.494 -1.192 -10.055 404 3HZ LYS 42 3HZ LYS 42 25.460 -1.241 -8.738 405 HA PRO 43 HA PRO 43 24.746 -10.387 -9.968 406 1HB PRO 43 2HB PRO 43 24.706 -10.165 -7.245 407 2HB PRO 43 3HB PRO 43 26.024 -10.913 -8.126 408 1HG PRO 43 2HG PRO 43 25.932 -8.257 -6.832 409 2HG PRO 43 3HG PRO 43 27.330 -9.185 -7.334 410 1HD PRO 43 2HD PRO 43 26.203 -6.917 -8.681 411 2HD PRO 43 3HD PRO 43 27.529 -7.917 -9.241 412 H ARG 44 HN ARG 44 23.225 -8.619 -11.149 413 HA ARG 44 HA ARG 44 21.387 -7.412 -9.478 414 1HB ARG 44 2HB ARG 44 21.584 -8.081 -12.390 415 2HB ARG 44 3HB ARG 44 19.955 -7.814 -11.801 416 1HG ARG 44 2HG ARG 44 20.850 -5.638 -10.722 417 2HG ARG 44 3HG ARG 44 22.311 -5.885 -11.659 418 1HD ARG 44 2HD ARG 44 19.585 -5.907 -13.011 419 2HD ARG 44 3HD ARG 44 20.403 -4.393 -12.677 420 HE ARG 44 HE ARG 44 22.046 -4.918 -14.299 421 1HH1 ARG 44 2HH2 ARG 44 19.934 -7.677 -13.742 422 2HH1 ARG 44 1HH2 ARG 44 20.504 -8.554 -15.122 423 1HH2 ARG 44 2HH1 ARG 44 22.799 -6.076 -16.120 424 2HH2 ARG 44 1HH1 ARG 44 22.145 -7.638 -16.484 425 H GLY 45 HN GLY 45 19.865 -8.363 -8.162 426 1HA GLY 45 1HA GLY 45 17.806 -9.834 -8.514 427 2HA GLY 45 2HA GLY 45 18.980 -11.094 -8.838 428 HA PRO 46 HA PRO 46 17.450 -12.192 -7.960 429 1HB PRO 46 2HB PRO 46 15.479 -13.188 -6.351 430 2HB PRO 46 3HB PRO 46 16.996 -14.018 -6.633 431 1HG PRO 46 2HG PRO 46 16.114 -12.532 -4.235 432 2HG PRO 46 3HG PRO 46 17.410 -13.703 -4.386 433 1HD PRO 46 2HD PRO 46 17.684 -10.852 -4.223 434 2HD PRO 46 3HD PRO 46 18.967 -12.015 -4.491 435 H ARG 47 HN ARG 47 15.521 -11.931 -9.176 436 HA ARG 47 HA ARG 47 14.674 -9.306 -9.088 437 1HB ARG 47 2HB ARG 47 13.732 -11.824 -10.476 438 2HB ARG 47 3HB ARG 47 12.698 -10.411 -10.544 439 1HG ARG 47 2HG ARG 47 14.969 -9.169 -11.224 440 2HG ARG 47 3HG ARG 47 15.476 -10.784 -11.674 441 1HD ARG 47 2HD ARG 47 14.506 -9.983 -13.674 442 2HD ARG 47 3HD ARG 47 13.200 -10.919 -12.975 443 HE ARG 47 HE ARG 47 12.709 -8.451 -11.910 444 1HH1 ARG 47 2HH2 ARG 47 13.409 -9.470 -15.204 445 2HH1 ARG 47 1HH2 ARG 47 12.502 -8.187 -15.930 446 1HH2 ARG 47 2HH1 ARG 47 11.511 -6.756 -12.868 447 2HH2 ARG 47 1HH1 ARG 47 11.415 -6.632 -14.593 448 H GLY 48 HN GLY 48 12.859 -8.289 -8.150 449 1HA GLY 48 1HA GLY 48 10.635 -9.721 -7.116 450 2HA GLY 48 2HA GLY 48 11.753 -9.315 -5.829 451 HA PRO 49 HA PRO 49 9.165 -5.651 -6.479 452 1HB PRO 49 2HB PRO 49 8.331 -5.334 -3.897 453 2HB PRO 49 3HB PRO 49 7.405 -6.204 -5.102 454 1HG PRO 49 2HG PRO 49 9.003 -7.280 -2.860 455 2HG PRO 49 3HG PRO 49 7.754 -8.074 -3.797 456 1HD PRO 49 2HD PRO 49 10.585 -8.454 -4.043 457 2HD PRO 49 3HD PRO 49 9.341 -9.159 -5.056 458 H ARG 50 HN ARG 50 9.770 -3.531 -6.390 459 HA ARG 50 HA ARG 50 12.339 -3.217 -5.195 460 1HB ARG 50 2HB ARG 50 12.283 -0.968 -6.267 461 2HB ARG 50 3HB ARG 50 11.853 -2.221 -7.415 462 1HG ARG 50 2HG ARG 50 9.440 -1.736 -7.080 463 2HG ARG 50 3HG ARG 50 9.829 -0.535 -5.866 464 1HD ARG 50 2HD ARG 50 11.172 -0.202 -8.530 465 2HD ARG 50 3HD ARG 50 9.443 0.078 -8.497 466 HE ARG 50 HE ARG 50 11.512 1.693 -7.158 467 1HH1 ARG 50 2HH2 ARG 50 8.083 0.940 -7.390 468 2HH1 ARG 50 1HH2 ARG 50 7.575 2.437 -6.680 469 1HH2 ARG 50 2HH1 ARG 50 10.843 3.667 -6.220 470 2HH2 ARG 50 1HH1 ARG 50 9.156 3.998 -6.009 471 HA PRO 51 HA PRO 51 10.850 -1.256 -1.590 472 1HB PRO 51 2HB PRO 51 13.093 0.064 -0.756 473 2HB PRO 51 3HB PRO 51 12.824 -1.644 -0.471 474 1HG PRO 51 2HG PRO 51 14.626 -0.351 -2.427 475 2HG PRO 51 3HG PRO 51 14.651 -2.000 -1.835 476 1HD PRO 51 2HD PRO 51 13.679 -1.104 -4.381 477 2HD PRO 51 3HD PRO 51 13.598 -2.734 -3.743 478 H GLN 52 HN GLN 52 10.099 0.684 -0.598 479 HA GLN 52 HA GLN 52 9.576 2.594 -2.620 480 1HB GLN 52 2HB GLN 52 8.424 1.823 -0.145 481 2HB GLN 52 3HB GLN 52 8.909 3.494 0.076 482 1HG GLN 52 2HG GLN 52 7.635 4.207 -1.877 483 2HG GLN 52 3HG GLN 52 7.332 2.550 -2.358 484 1HE2 GLN 52 1HE2 GLN 52 5.632 4.921 -1.534 485 2HE2 GLN 52 2HE2 GLN 52 4.522 4.304 -0.357 486 H THR 53 HN THR 53 10.009 4.980 -2.349 487 HA THR 53 HA THR 53 12.743 5.332 -1.382 488 HB THR 53 HB THR 53 11.995 5.944 -3.751 489 HG1 THR 53 HG1 THR 53 12.725 8.150 -1.960 490 1HG2 THR 53 1HG2 THR 53 10.742 8.022 -4.052 491 2HG2 THR 53 2HG2 THR 53 9.746 6.949 -3.039 492 3HG2 THR 53 3HG2 THR 53 10.661 8.282 -2.293 493 H SER 54 HN SER 54 13.285 6.411 0.417 494 HA SER 54 HA SER 54 11.114 7.387 2.001 495 1HB SER 54 2HB SER 54 12.831 7.649 3.763 496 2HB SER 54 3HB SER 54 12.900 6.051 3.047 497 HG SER 54 HG SER 54 15.003 7.263 3.360 498 H LEU 55 HN LEU 55 11.491 9.582 3.219 499 HA LEU 55 HA LEU 55 12.870 11.503 1.510 500 1HB LEU 55 2HB LEU 55 10.022 11.168 1.659 501 2HB LEU 55 3HB LEU 55 10.461 12.720 2.344 502 HG LEU 55 HG LEU 55 11.510 11.854 -0.348 503 1HD1 LEU 55 1HD1 LEU 55 9.557 12.118 -1.372 504 2HD1 LEU 55 2HD1 LEU 55 8.785 12.131 0.232 505 3HD1 LEU 55 3HD1 LEU 55 9.257 13.663 -0.540 506 1HD2 LEU 55 1HD2 LEU 55 10.914 14.666 0.007 507 2HD2 LEU 55 2HD2 LEU 55 11.996 14.069 1.289 508 3HD2 LEU 55 3HD2 LEU 55 12.446 13.865 -0.421 509 H LEU 56 HN LEU 56 14.400 11.154 3.371 510 HA LEU 56 HA LEU 56 13.554 12.006 5.951 511 1HB LEU 56 2HB LEU 56 16.068 11.105 4.655 512 2HB LEU 56 3HB LEU 56 16.230 12.097 6.090 513 HG LEU 56 HG LEU 56 16.316 9.737 6.653 514 1HD1 LEU 56 1HD1 LEU 56 15.223 10.018 8.589 515 2HD1 LEU 56 2HD1 LEU 56 14.849 11.638 7.954 516 3HD1 LEU 56 3HD1 LEU 56 13.664 10.320 7.786 517 1HD2 LEU 56 1HD2 LEU 56 15.100 8.702 4.898 518 2HD2 LEU 56 2HD2 LEU 56 14.233 8.336 6.410 519 3HD2 LEU 56 3HD2 LEU 56 13.612 9.589 5.309 Start of MODEL 4 1 1H5* C 504 1H5* C 504 32.889 -7.047 -1.627 2 2H5* C 504 2H5* C 504 33.797 -6.227 -2.898 3 H4* C 504 H4* C 504 34.360 -8.667 -2.423 4 H3* C 504 H3* C 504 33.648 -7.930 -5.289 5 H2* C 504 H2* C 504 34.952 -9.829 -5.826 6 2HO* C 504 2HO* C 504 36.483 -10.523 -4.277 7 H1* C 504 H1* C 504 33.895 -11.021 -3.324 8 1H4 C 504 1H4 C 504 31.961 -15.182 -7.740 9 2H4 C 504 2H4 C 504 31.010 -13.938 -8.519 10 H5 C 504 H5 C 504 30.984 -11.678 -7.833 11 H6 C 504 H6 C 504 31.876 -10.039 -6.216 12 1H5* C 505 1H5* C 505 37.289 -8.042 -5.575 13 2H5* C 505 2H5* C 505 38.329 -6.851 -6.356 14 H4* C 505 H4* C 505 38.613 -8.672 -7.721 15 H3* C 505 H3* C 505 36.423 -6.976 -8.883 16 H2* C 505 H2* C 505 36.172 -8.481 -10.682 17 2HO* C 505 2HO* C 505 38.116 -9.247 -11.265 18 H1* C 505 H1* C 505 36.434 -10.752 -8.929 19 1H4 C 505 1H4 C 505 30.266 -10.525 -10.615 20 2H4 C 505 2H4 C 505 29.990 -9.372 -9.329 21 H5 C 505 H5 C 505 31.711 -8.436 -8.010 22 H6 C 505 H6 C 505 34.145 -8.376 -7.596 23 1H5* U 506 1H5* U 506 39.424 -2.618 -9.911 24 2H5* U 506 2H5* U 506 38.256 -3.195 -8.721 25 H4* U 506 H4* U 506 37.423 -1.952 -10.832 26 H3* U 506 H3* U 506 36.195 -4.504 -9.771 27 H2* U 506 H2* U 506 34.483 -4.273 -11.350 28 2HO* U 506 2HO* U 506 33.873 -2.186 -11.304 29 H1* U 506 H1* U 506 36.356 -3.130 -13.281 30 H3 U 506 H3 U 506 36.303 -6.636 -16.091 31 H5 U 506 H5 U 506 34.711 -8.237 -12.564 32 H6 U 506 H6 U 506 35.198 -6.089 -11.486 33 1H5* C 507 1H5* C 507 34.651 -0.246 -10.501 34 2H5* C 507 2H5* C 507 34.223 0.001 -8.809 35 H4* C 507 H4* C 507 33.112 1.292 -10.962 36 H3* C 507 H3* C 507 32.318 0.995 -8.097 37 H2* C 507 H2* C 507 30.204 1.996 -8.498 38 2HO* C 507 2HO* C 507 31.128 3.501 -10.005 39 H1* C 507 H1* C 507 29.633 0.394 -10.709 40 1H4 C 507 1H4 C 507 27.087 -2.542 -5.603 41 2H4 C 507 2H4 C 507 28.520 -3.541 -5.538 42 H5 C 507 H5 C 507 30.424 -3.201 -6.894 43 H6 C 507 H6 C 507 31.430 -1.805 -8.665 44 1H5* C 508 1H5* C 508 35.464 4.805 -6.742 45 2H5* C 508 2H5* C 508 33.851 5.371 -7.174 46 H4* C 508 H4* C 508 35.292 7.250 -7.222 47 H3* C 508 H3* C 508 34.454 6.275 -9.930 48 H2* C 508 H2* C 508 35.655 8.035 -10.977 49 2HO* C 508 2HO* C 508 36.082 8.854 -8.247 50 H1* C 508 H1* C 508 37.943 7.579 -9.340 51 1H4 C 508 1H4 C 508 39.821 4.324 -14.463 52 2H4 C 508 2H4 C 508 38.174 3.847 -14.812 53 H5 C 508 H5 C 508 36.322 4.434 -13.470 54 H6 C 508 H6 C 508 35.586 5.635 -11.441 55 1H5* G 509 1H5* G 509 33.070 9.911 -10.857 56 2H5* G 509 2H5* G 509 32.123 11.085 -9.944 57 H4* G 509 H4* G 509 31.128 11.347 -11.957 58 H3* G 509 H3* G 509 29.650 9.070 -10.662 59 H2* G 509 H2* G 509 28.249 8.892 -12.562 60 2HO* G 509 2HO* G 509 29.659 11.256 -13.416 61 H1* G 509 H1* G 509 30.455 9.136 -14.354 62 H8 G 509 H8 G 509 29.989 6.882 -11.274 63 H1 G 509 H1 G 509 29.855 3.872 -17.002 64 1H2 G 509 1H2 G 509 30.079 5.257 -18.513 65 2H2 G 509 2H2 G 509 30.273 6.977 -18.266 66 1H5* U 510 1H5* U 510 25.822 8.633 -11.457 67 2H5* U 510 2H5* U 510 25.991 10.389 -11.489 68 H4* U 510 H4* U 510 25.160 9.637 -8.866 69 H3* U 510 H3* U 510 23.859 8.013 -10.975 70 H2* U 510 H2* U 510 21.658 8.557 -10.268 71 2HO* U 510 2HO* U 510 23.059 9.982 -8.192 72 H1* U 510 H1* U 510 22.049 11.278 -10.265 73 H3 U 510 H3 U 510 19.786 10.529 -14.131 74 H5 U 510 H5 U 510 23.739 9.493 -15.044 75 H6 U 510 H6 U 510 24.259 9.775 -12.665 76 1H ALA 1 HN ALA 1 55.039 -32.932 -22.892 77 HA ALA 1 HA ALA 1 53.878 -31.790 -24.875 78 1HB ALA 1 1HB ALA 1 52.587 -33.821 -25.437 79 2HB ALA 1 2HB ALA 1 51.764 -33.734 -23.861 80 3HB ALA 1 3HB ALA 1 51.509 -32.453 -25.069 81 H THR 2 HN THR 2 53.234 -29.790 -24.172 82 HA THR 2 HA THR 2 51.950 -29.590 -21.563 83 HB THR 2 HB THR 2 54.589 -28.223 -22.309 84 HG1 THR 2 HG1 THR 2 55.193 -29.589 -20.396 85 1HG2 THR 2 1HG2 THR 2 53.841 -28.142 -19.501 86 2HG2 THR 2 2HG2 THR 2 54.206 -26.777 -20.584 87 3HG2 THR 2 3HG2 THR 2 52.544 -27.402 -20.470 88 H VAL 3 HN VAL 3 50.469 -27.966 -21.430 89 HA VAL 3 HA VAL 3 49.422 -26.907 -23.716 90 HB VAL 3 HB VAL 3 49.366 -25.911 -20.865 91 1HG1 VAL 3 1HG1 VAL 3 48.577 -24.007 -21.835 92 2HG1 VAL 3 2HG1 VAL 3 48.090 -24.836 -23.333 93 3HG1 VAL 3 3HG1 VAL 3 47.068 -24.951 -21.880 94 1HG2 VAL 3 1HG2 VAL 3 47.716 -27.396 -20.477 95 2HG2 VAL 3 2HG2 VAL 3 46.967 -27.133 -22.070 96 3HG2 VAL 3 3HG2 VAL 3 48.357 -28.234 -21.910 97 H VAL 4 HN VAL 4 49.621 -24.964 -24.878 98 HA VAL 4 HA VAL 4 52.156 -23.924 -25.139 99 HB VAL 4 HB VAL 4 51.066 -22.159 -26.445 100 1HG1 VAL 4 1HG1 VAL 4 51.088 -23.733 -28.025 101 2HG1 VAL 4 2HG1 VAL 4 50.770 -25.010 -26.826 102 3HG1 VAL 4 3HG1 VAL 4 49.412 -24.141 -27.581 103 1HG2 VAL 4 1HG2 VAL 4 48.397 -22.740 -26.577 104 2HG2 VAL 4 2HG2 VAL 4 48.723 -22.976 -24.843 105 3HG2 VAL 4 3HG2 VAL 4 49.102 -21.418 -25.616 106 H SER 5 HN SER 5 52.568 -21.389 -24.910 107 HA SER 5 HA SER 5 51.860 -20.770 -22.149 108 1HB SER 5 2HB SER 5 54.411 -20.752 -23.605 109 2HB SER 5 3HB SER 5 54.094 -19.202 -22.850 110 HG SER 5 HG SER 5 54.362 -21.787 -21.622 111 H GLY 6 HN GLY 6 51.169 -18.619 -21.654 112 1HA GLY 6 1HA GLY 6 50.518 -16.989 -24.034 113 2HA GLY 6 2HA GLY 6 49.542 -17.091 -22.582 114 H GLN 7 HN GLN 7 50.833 -14.715 -23.916 115 HA GLN 7 HA GLN 7 52.819 -13.992 -21.944 116 1HB GLN 7 2HB GLN 7 52.038 -13.027 -24.665 117 2HB GLN 7 3HB GLN 7 52.636 -11.802 -23.563 118 1HG GLN 7 2HG GLN 7 54.701 -13.097 -23.169 119 2HG GLN 7 3HG GLN 7 54.094 -14.423 -24.141 120 1HE2 GLN 7 1HE2 GLN 7 56.240 -12.080 -24.188 121 2HE2 GLN 7 2HE2 GLN 7 56.272 -11.615 -25.857 122 H LYS 8 HN LYS 8 52.662 -11.678 -21.012 123 HA LYS 8 HA LYS 8 49.868 -10.905 -20.619 124 1HB LYS 8 2HB LYS 8 51.151 -12.376 -18.729 125 2HB LYS 8 3HB LYS 8 51.616 -10.763 -18.226 126 1HG LYS 8 2HG LYS 8 49.581 -10.999 -17.099 127 2HG LYS 8 3HG LYS 8 49.048 -10.198 -18.562 128 1HD LYS 8 2HD LYS 8 48.638 -12.551 -19.548 129 2HD LYS 8 3HD LYS 8 48.895 -13.177 -17.931 130 1HE LYS 8 2HE LYS 8 47.084 -11.401 -17.204 131 2HE LYS 8 3HE LYS 8 46.676 -11.347 -18.908 132 1HZ LYS 8 1HZ LYS 8 45.368 -12.986 -17.825 133 2HZ LYS 8 2HZ LYS 8 46.406 -13.763 -18.816 134 3HZ LYS 8 3HZ LYS 8 46.675 -13.741 -17.205 135 H GLN 9 HN GLN 9 49.539 -8.666 -20.319 136 HA GLN 9 HA GLN 9 51.934 -7.120 -20.929 137 1HB GLN 9 2HB GLN 9 49.381 -7.192 -22.163 138 2HB GLN 9 3HB GLN 9 49.425 -5.670 -21.295 139 1HG GLN 9 2HG GLN 9 50.663 -4.821 -22.995 140 2HG GLN 9 3HG GLN 9 51.982 -5.849 -22.472 141 1HE2 GLN 9 1HE2 GLN 9 51.319 -4.979 -25.133 142 2HE2 GLN 9 2HE2 GLN 9 51.040 -6.384 -26.106 143 H ASP 10 HN ASP 10 51.934 -4.819 -19.999 144 HA ASP 10 HA ASP 10 50.350 -4.527 -17.631 145 1HB ASP 10 2HB ASP 10 52.884 -5.698 -17.399 146 2HB ASP 10 3HB ASP 10 53.211 -4.009 -17.067 147 H ARG 11 HN ARG 11 49.907 -2.306 -17.397 148 HA ARG 11 HA ARG 11 51.676 -0.527 -18.875 149 1HB ARG 11 2HB ARG 11 49.318 -0.824 -19.828 150 2HB ARG 11 3HB ARG 11 48.690 -0.113 -18.355 151 1HG ARG 11 2HG ARG 11 49.955 1.975 -18.783 152 2HG ARG 11 3HG ARG 11 50.691 1.266 -20.206 153 1HD ARG 11 2HD ARG 11 47.667 1.369 -19.991 154 2HD ARG 11 3HD ARG 11 48.548 2.811 -20.458 155 HE ARG 11 HE ARG 11 49.195 1.765 -22.493 156 1HH1 ARG 11 2HH2 ARG 11 47.487 -0.488 -20.398 157 2HH1 ARG 11 1HH2 ARG 11 47.250 -1.666 -21.645 158 1HH2 ARG 11 2HH1 ARG 11 48.882 0.211 -24.138 159 2HH2 ARG 11 1HH1 ARG 11 48.050 -1.266 -23.787 160 H GLN 12 HN GLN 12 52.753 0.907 -17.554 161 HA GLN 12 HA GLN 12 52.354 0.978 -14.845 162 1HB GLN 12 2HB GLN 12 54.308 1.848 -16.461 163 2HB GLN 12 3HB GLN 12 53.501 3.388 -16.243 164 1HG GLN 12 2HG GLN 12 54.698 3.575 -14.317 165 2HG GLN 12 3HG GLN 12 53.575 2.413 -13.640 166 1HE2 GLN 12 1HE2 GLN 12 54.271 0.494 -13.005 167 2HE2 GLN 12 2HE2 GLN 12 55.853 -0.164 -13.263 168 H GLY 13 HN GLY 13 51.347 3.400 -17.363 169 1HA GLY 13 1HA GLY 13 48.874 3.996 -16.727 170 2HA GLY 13 2HA GLY 13 49.684 4.757 -15.372 171 H GLY 14 HN GLY 14 51.713 6.172 -16.059 172 1HA GLY 14 1HA GLY 14 52.647 7.749 -17.427 173 2HA GLY 14 2HA GLY 14 51.471 7.392 -18.675 174 H GLU 15 HN GLU 15 49.637 8.672 -18.900 175 HA GLU 15 HA GLU 15 49.086 10.495 -16.707 176 1HB GLU 15 2HB GLU 15 50.515 11.522 -18.638 177 2HB GLU 15 3HB GLU 15 49.043 11.455 -19.586 178 1HG GLU 15 2HG GLU 15 49.067 13.641 -18.604 179 2HG GLU 15 3HG GLU 15 47.879 12.733 -17.689 180 H ARG 16 HN ARG 16 47.142 9.539 -16.096 181 HA ARG 16 HA ARG 16 45.031 9.840 -18.011 182 1HB ARG 16 2HB ARG 16 44.172 7.466 -17.379 183 2HB ARG 16 3HB ARG 16 45.500 7.557 -18.521 184 1HG ARG 16 2HG ARG 16 47.072 6.764 -16.984 185 2HG ARG 16 3HG ARG 16 46.215 7.413 -15.600 186 1HD ARG 16 2HD ARG 16 44.645 5.618 -15.564 187 2HD ARG 16 3HD ARG 16 44.973 5.169 -17.225 188 HE ARG 16 HE ARG 16 47.397 4.893 -15.729 189 1HH1 ARG 16 2HH2 ARG 16 44.227 3.391 -16.022 190 2HH1 ARG 16 1HH2 ARG 16 44.778 1.831 -15.509 191 1HH2 ARG 16 2HH1 ARG 16 48.123 2.835 -15.051 192 2HH2 ARG 16 1HH1 ARG 16 47.008 1.512 -14.953 193 H ARG 17 HN ARG 17 43.016 10.271 -16.980 194 HA ARG 17 HA ARG 17 43.274 10.760 -14.170 195 1HB ARG 17 2HB ARG 17 42.016 12.123 -16.211 196 2HB ARG 17 3HB ARG 17 40.655 11.253 -15.534 197 1HG ARG 17 2HG ARG 17 40.774 12.363 -13.481 198 2HG ARG 17 3HG ARG 17 42.505 12.618 -13.593 199 1HD ARG 17 2HD ARG 17 42.261 14.466 -15.096 200 2HD ARG 17 3HD ARG 17 40.618 14.026 -15.517 201 HE ARG 17 HE ARG 17 39.846 15.127 -13.594 202 1HH1 ARG 17 2HH2 ARG 17 43.319 14.627 -13.335 203 2HH1 ARG 17 1HH2 ARG 17 43.482 15.601 -11.912 204 1HH2 ARG 17 2HH1 ARG 17 40.060 16.413 -11.718 205 2HH2 ARG 17 1HH1 ARG 17 41.615 16.623 -10.987 206 H ARG 18 HN ARG 18 40.597 9.378 -16.228 207 HA ARG 18 HA ARG 18 40.358 7.286 -14.228 208 1HB ARG 18 2HB ARG 18 38.128 8.983 -15.436 209 2HB ARG 18 3HB ARG 18 37.802 7.442 -14.671 210 1HG ARG 18 2HG ARG 18 38.585 8.207 -12.531 211 2HG ARG 18 3HG ARG 18 39.386 9.601 -13.228 212 1HD ARG 18 2HD ARG 18 36.419 9.379 -13.683 213 2HD ARG 18 3HD ARG 18 36.941 9.758 -12.054 214 HE ARG 18 HE ARG 18 38.430 11.528 -13.509 215 1HH1 ARG 18 2HH2 ARG 18 35.007 10.722 -13.616 216 2HH1 ARG 18 1HH2 ARG 18 34.522 12.297 -14.148 217 1HH2 ARG 18 2HH1 ARG 18 37.791 13.607 -14.212 218 2HH2 ARG 18 1HH1 ARG 18 36.116 13.948 -14.489 219 H SER 19 HN SER 19 41.834 6.858 -16.505 220 HA SER 19 HA SER 19 42.011 5.769 -18.387 221 1HB SER 19 2HB SER 19 40.045 4.186 -16.767 222 2HB SER 19 3HB SER 19 40.249 3.701 -18.438 223 HG SER 19 HG SER 19 42.005 2.678 -17.781 224 H GLN 20 HN GLN 20 40.524 8.100 -18.777 225 HA GLN 20 HA GLN 20 39.032 9.092 -20.019 226 1HB GLN 20 2HB GLN 20 40.259 6.989 -21.652 227 2HB GLN 20 3HB GLN 20 38.670 7.412 -22.257 228 1HG GLN 20 2HG GLN 20 39.751 9.134 -23.302 229 2HG GLN 20 3HG GLN 20 39.684 9.919 -21.737 230 1HE2 GLN 20 1HE2 GLN 20 41.610 10.623 -23.474 231 2HE2 GLN 20 2HE2 GLN 20 43.172 10.076 -22.964 232 H LEU 21 HN LEU 21 37.767 7.724 -17.970 233 HA LEU 21 HA LEU 21 35.879 5.852 -18.627 234 1HB LEU 21 2HB LEU 21 36.612 7.154 -16.393 235 2HB LEU 21 3HB LEU 21 35.103 7.985 -16.717 236 HG LEU 21 HG LEU 21 35.537 5.048 -16.165 237 1HD1 LEU 21 1HD1 LEU 21 33.563 5.742 -14.529 238 2HD1 LEU 21 2HD1 LEU 21 35.274 6.008 -14.114 239 3HD1 LEU 21 3HD1 LEU 21 34.290 7.353 -14.738 240 1HD2 LEU 21 1HD2 LEU 21 32.830 6.157 -16.857 241 2HD2 LEU 21 2HD2 LEU 21 33.927 5.580 -18.134 242 3HD2 LEU 21 3HD2 LEU 21 33.400 4.470 -16.846 243 H ASP 22 HN ASP 22 34.754 6.006 -20.536 244 HA ASP 22 HA ASP 22 33.871 8.361 -21.627 245 1HB ASP 22 2HB ASP 22 33.836 5.665 -22.309 246 2HB ASP 22 3HB ASP 22 32.129 5.995 -22.095 247 H ARG 23 HN ARG 23 31.769 9.420 -21.576 248 HA ARG 23 HA ARG 23 30.486 9.293 -19.122 249 1HB ARG 23 2HB ARG 23 30.125 10.734 -21.714 250 2HB ARG 23 3HB ARG 23 28.660 10.572 -20.766 251 1HG ARG 23 2HG ARG 23 31.294 11.817 -19.858 252 2HG ARG 23 3HG ARG 23 29.779 12.653 -20.134 253 1HD ARG 23 2HD ARG 23 29.127 10.601 -18.291 254 2HD ARG 23 3HD ARG 23 30.682 11.200 -17.749 255 HE ARG 23 HE ARG 23 29.067 13.463 -18.362 256 1HH1 ARG 23 2HH2 ARG 23 29.161 10.823 -16.038 257 2HH1 ARG 23 1HH2 ARG 23 28.356 11.719 -14.794 258 1HH2 ARG 23 2HH1 ARG 23 28.005 14.647 -16.722 259 2HH2 ARG 23 1HH1 ARG 23 27.694 13.910 -15.185 260 H ASP 24 HN ASP 24 30.337 7.191 -21.788 261 HA ASP 24 HA ASP 24 27.766 6.210 -20.852 262 1HB ASP 24 2HB ASP 24 28.252 7.341 -23.399 263 2HB ASP 24 3HB ASP 24 28.293 5.612 -23.684 264 H GLN 25 HN GLN 25 30.655 5.529 -20.288 265 HA GLN 25 HA GLN 25 30.703 2.873 -21.494 266 1HB GLN 25 2HB GLN 25 32.654 4.060 -22.223 267 2HB GLN 25 3HB GLN 25 32.952 4.722 -20.628 268 1HG GLN 25 2HG GLN 25 34.007 2.820 -19.885 269 2HG GLN 25 3HG GLN 25 32.873 1.752 -20.688 270 1HE2 GLN 25 1HE2 GLN 25 35.599 1.301 -20.632 271 2HE2 GLN 25 2HE2 GLN 25 36.263 1.429 -22.227 272 H CYS 26 HN CYS 26 30.504 1.132 -20.129 273 HA CYS 26 HA CYS 26 29.761 1.468 -17.510 274 1HB CYS 26 2HB CYS 26 29.259 -0.546 -18.810 275 2HB CYS 26 3HB CYS 26 30.954 -0.987 -18.837 276 H ALA 27 HN ALA 27 30.897 1.682 -15.576 277 HA ALA 27 HA ALA 27 33.812 1.772 -15.834 278 1HB ALA 27 1HB ALA 27 32.786 3.829 -15.056 279 2HB ALA 27 2HB ALA 27 31.870 2.951 -13.809 280 3HB ALA 27 3HB ALA 27 33.641 3.073 -13.690 281 H TYR 28 HN TYR 28 32.319 -0.768 -15.738 282 HA TYR 28 HA TYR 28 33.395 -1.748 -13.184 283 1HB TYR 28 2HB TYR 28 30.775 -1.505 -13.554 284 2HB TYR 28 3HB TYR 28 30.951 -2.800 -14.720 285 HD1 TYR 28 HD1 TYR 28 30.582 -1.968 -11.242 286 HD2 TYR 28 HD2 TYR 28 31.886 -5.046 -13.912 287 HE1 TYR 28 HE1 TYR 28 30.373 -3.685 -9.377 288 HE2 TYR 28 HE2 TYR 28 31.673 -6.752 -12.039 289 HH TYR 28 HH TYR 28 31.712 -6.165 -9.056 290 H CYS 29 HN CYS 29 32.016 -2.951 -16.333 291 HA CYS 29 HA CYS 29 34.097 -4.979 -16.325 292 1HB CYS 29 2HB CYS 29 32.794 -6.069 -18.079 293 2HB CYS 29 3HB CYS 29 31.793 -5.740 -16.678 294 H LYS 30 HN LYS 30 33.365 -1.838 -17.532 295 HA LYS 30 HA LYS 30 34.598 -0.498 -18.816 296 1HB LYS 30 2HB LYS 30 36.380 -2.651 -18.450 297 2HB LYS 30 3HB LYS 30 36.371 -2.343 -20.175 298 1HG LYS 30 2HG LYS 30 37.875 -0.694 -19.666 299 2HG LYS 30 3HG LYS 30 36.456 0.235 -19.227 300 1HD LYS 30 2HD LYS 30 36.886 -1.209 -16.905 301 2HD LYS 30 3HD LYS 30 38.528 -0.995 -17.478 302 1HE LYS 30 2HE LYS 30 37.827 0.879 -15.989 303 2HE LYS 30 3HE LYS 30 38.222 1.450 -17.599 304 1HZ LYS 30 1HZ LYS 30 35.470 0.743 -16.936 305 2HZ LYS 30 2HZ LYS 30 36.064 2.208 -16.525 306 3HZ LYS 30 3HZ LYS 30 36.014 1.757 -18.094 307 H GLU 31 HN GLU 31 32.193 -2.233 -19.508 308 HA GLU 31 HA GLU 31 32.535 -2.531 -22.349 309 1HB GLU 31 2HB GLU 31 31.314 -4.266 -21.080 310 2HB GLU 31 3HB GLU 31 30.150 -3.078 -20.528 311 1HG GLU 31 2HG GLU 31 29.023 -3.052 -22.529 312 2HG GLU 31 3HG GLU 31 30.494 -3.121 -23.478 313 H LYS 32 HN LYS 32 32.007 -0.967 -23.819 314 HA LYS 32 HA LYS 32 30.745 1.431 -22.816 315 1HB LYS 32 2HB LYS 32 32.691 1.751 -24.159 316 2HB LYS 32 3HB LYS 32 32.092 0.694 -25.421 317 1HG LYS 32 2HG LYS 32 30.065 2.379 -25.545 318 2HG LYS 32 3HG LYS 32 31.123 3.472 -24.675 319 1HD LYS 32 2HD LYS 32 32.733 3.520 -26.440 320 2HD LYS 32 3HD LYS 32 32.106 2.060 -27.178 321 1HE LYS 32 2HE LYS 32 29.974 4.030 -27.037 322 2HE LYS 32 3HE LYS 32 31.385 4.773 -27.763 323 1HZ LYS 32 1HZ LYS 32 31.307 2.380 -28.954 324 2HZ LYS 32 2HZ LYS 32 29.715 2.704 -28.786 325 3HZ LYS 32 3HZ LYS 32 30.681 3.751 -29.583 326 H GLY 33 HN GLY 33 28.618 1.900 -22.996 327 1HA GLY 33 1HA GLY 33 26.841 1.847 -24.835 328 2HA GLY 33 2HA GLY 33 26.992 0.107 -24.680 329 H HIS 34 HN HIS 34 27.417 -0.103 -21.839 330 HA HIS 34 HA HIS 34 24.847 0.922 -20.873 331 1HB HIS 34 2HB HIS 34 24.512 -1.096 -19.646 332 2HB HIS 34 3HB HIS 34 24.854 -1.523 -21.310 333 HD1 HIS 34 HD1 HIS 34 26.811 -3.079 -21.744 334 HD2 HIS 34 HD2 HIS 34 26.760 -1.575 -17.829 335 HE1 HIS 34 HE1 HIS 34 28.613 -4.355 -20.465 336 H TRP 35 HN TRP 35 24.754 1.354 -18.515 337 HA TRP 35 HA TRP 35 27.285 2.477 -17.651 338 1HB TRP 35 2HB TRP 35 24.425 2.935 -17.099 339 2HB TRP 35 3HB TRP 35 25.481 3.097 -15.709 340 HD1 TRP 35 HD1 TRP 35 25.940 4.331 -19.405 341 HE1 TRP 35 HE1 TRP 35 26.610 6.883 -19.442 342 HE3 TRP 35 HE3 TRP 35 25.784 4.984 -14.365 343 HZ2 TRP 35 HZ2 TRP 35 26.992 8.844 -17.405 344 HZ3 TRP 35 HZ3 TRP 35 26.319 7.248 -13.471 345 HH2 TRP 35 HH2 TRP 35 26.907 9.141 -14.902 346 H ALA 36 HN ALA 36 27.998 2.087 -15.349 347 HA ALA 36 HA ALA 36 28.269 -0.635 -14.854 348 1HB ALA 36 1HB ALA 36 29.134 0.204 -12.615 349 2HB ALA 36 2HB ALA 36 29.897 0.935 -14.047 350 3HB ALA 36 3HB ALA 36 28.666 1.841 -13.136 351 H LYS 37 HN LYS 37 25.906 1.802 -13.701 352 HA LYS 37 HA LYS 37 24.801 0.202 -11.676 353 1HB LYS 37 2HB LYS 37 23.963 2.662 -13.176 354 2HB LYS 37 3HB LYS 37 22.788 1.834 -12.176 355 1HG LYS 37 2HG LYS 37 23.729 3.306 -10.620 356 2HG LYS 37 3HG LYS 37 24.695 1.871 -10.340 357 1HD LYS 37 2HD LYS 37 25.852 3.456 -12.508 358 2HD LYS 37 3HD LYS 37 25.625 4.456 -11.086 359 1HE LYS 37 2HE LYS 37 26.977 1.720 -10.994 360 2HE LYS 37 3HE LYS 37 27.864 3.215 -11.216 361 1HZ LYS 37 1HZ LYS 37 26.545 3.901 -9.118 362 2HZ LYS 37 2HZ LYS 37 26.415 2.291 -8.875 363 3HZ LYS 37 3HZ LYS 37 27.891 2.986 -8.973 364 H ASP 38 HN ASP 38 24.827 -0.143 -15.079 365 HA ASP 38 HA ASP 38 22.518 -1.909 -14.851 366 1HB ASP 38 2HB ASP 38 22.515 0.325 -16.389 367 2HB ASP 38 3HB ASP 38 23.300 -0.758 -17.521 368 H CYS 39 HN CYS 39 25.520 -2.291 -14.494 369 HA CYS 39 HA CYS 39 26.557 -3.475 -16.819 370 1HB CYS 39 2HB CYS 39 27.946 -2.590 -14.958 371 2HB CYS 39 3HB CYS 39 27.394 -3.897 -13.931 372 HA PRO 40 HA PRO 40 24.329 -7.233 -16.448 373 1HB PRO 40 2HB PRO 40 25.413 -8.541 -18.589 374 2HB PRO 40 3HB PRO 40 24.085 -7.407 -18.732 375 1HG PRO 40 2HG PRO 40 26.929 -7.030 -19.445 376 2HG PRO 40 3HG PRO 40 25.536 -6.099 -19.957 377 1HD PRO 40 2HD PRO 40 27.474 -5.343 -17.982 378 2HD PRO 40 3HD PRO 40 26.019 -4.467 -18.412 379 H LYS 41 HN LYS 41 27.675 -6.858 -16.144 380 HA LYS 41 HA LYS 41 28.068 -9.630 -15.427 381 1HB LYS 41 2HB LYS 41 29.693 -7.937 -16.663 382 2HB LYS 41 3HB LYS 41 30.141 -7.504 -15.026 383 1HG LYS 41 2HG LYS 41 30.061 -10.327 -14.988 384 2HG LYS 41 3HG LYS 41 30.772 -9.942 -16.543 385 1HD LYS 41 2HD LYS 41 32.742 -9.627 -15.458 386 2HD LYS 41 3HD LYS 41 32.055 -8.157 -14.795 387 1HE LYS 41 2HE LYS 41 31.634 -10.882 -13.490 388 2HE LYS 41 3HE LYS 41 32.997 -9.854 -13.093 389 1HZ LYS 41 1HZ LYS 41 30.819 -8.228 -12.968 390 2HZ LYS 41 2HZ LYS 41 30.315 -9.619 -12.277 391 3HZ LYS 41 3HZ LYS 41 31.636 -8.852 -11.700 392 H LYS 42 HN LYS 42 26.824 -6.818 -13.970 393 HA LYS 42 HA LYS 42 27.947 -7.132 -11.388 394 1HB LYS 42 2HB LYS 42 26.216 -5.309 -12.754 395 2HB LYS 42 3HB LYS 42 25.411 -5.821 -11.284 396 1HG LYS 42 2HG LYS 42 27.925 -5.433 -10.292 397 2HG LYS 42 3HG LYS 42 27.966 -4.286 -11.618 398 1HD LYS 42 2HD LYS 42 25.463 -4.213 -10.000 399 2HD LYS 42 3HD LYS 42 26.908 -3.758 -9.120 400 1HE LYS 42 2HE LYS 42 27.318 -2.344 -11.430 401 2HE LYS 42 3HE LYS 42 25.566 -2.374 -11.413 402 1HZ LYS 42 1HZ LYS 42 26.991 -0.622 -10.076 403 2HZ LYS 42 2HZ LYS 42 25.502 -1.091 -9.599 404 3HZ LYS 42 3HZ LYS 42 26.826 -1.748 -8.904 405 HA PRO 43 HA PRO 43 25.466 -10.313 -9.857 406 1HB PRO 43 2HB PRO 43 25.460 -9.786 -7.175 407 2HB PRO 43 3HB PRO 43 26.798 -10.565 -7.996 408 1HG PRO 43 2HG PRO 43 26.594 -7.786 -7.008 409 2HG PRO 43 3HG PRO 43 28.029 -8.698 -7.434 410 1HD PRO 43 2HD PRO 43 26.765 -6.654 -9.001 411 2HD PRO 43 3HD PRO 43 28.131 -7.646 -9.476 412 H ARG 44 HN ARG 44 23.680 -9.318 -11.178 413 HA ARG 44 HA ARG 44 21.474 -9.207 -9.436 414 1HB ARG 44 2HB ARG 44 22.709 -6.687 -10.216 415 2HB ARG 44 3HB ARG 44 21.114 -6.786 -10.937 416 1HG ARG 44 2HG ARG 44 20.121 -7.292 -8.709 417 2HG ARG 44 3HG ARG 44 21.712 -7.250 -7.976 418 1HD ARG 44 2HD ARG 44 21.957 -4.891 -8.363 419 2HD ARG 44 3HD ARG 44 20.652 -4.858 -9.532 420 HE ARG 44 HE ARG 44 19.764 -5.754 -6.896 421 1HH1 ARG 44 2HH2 ARG 44 20.430 -2.923 -8.879 422 2HH1 ARG 44 1HH2 ARG 44 19.375 -1.887 -7.978 423 1HH2 ARG 44 2HH1 ARG 44 18.372 -4.386 -5.707 424 2HH2 ARG 44 1HH1 ARG 44 18.197 -2.724 -6.162 425 H GLY 45 HN GLY 45 20.619 -10.893 -10.733 426 1HA GLY 45 1HA GLY 45 19.780 -10.067 -13.433 427 2HA GLY 45 2HA GLY 45 20.627 -11.585 -13.207 428 HA PRO 46 HA PRO 46 19.364 -12.057 -14.793 429 1HB PRO 46 2HB PRO 46 17.258 -12.438 -16.490 430 2HB PRO 46 3HB PRO 46 18.147 -13.757 -15.756 431 1HG PRO 46 2HG PRO 46 15.461 -12.728 -15.076 432 2HG PRO 46 3HG PRO 46 16.182 -14.272 -14.665 433 1HD PRO 46 2HD PRO 46 15.854 -12.013 -12.927 434 2HD PRO 46 3HD PRO 46 16.677 -13.514 -12.551 435 H ARG 47 HN ARG 47 16.465 -10.225 -14.153 436 HA ARG 47 HA ARG 47 15.798 -8.282 -14.871 437 1HB ARG 47 2HB ARG 47 18.301 -7.982 -13.622 438 2HB ARG 47 3HB ARG 47 18.465 -7.013 -15.073 439 1HG ARG 47 2HG ARG 47 15.974 -6.214 -14.287 440 2HG ARG 47 3HG ARG 47 16.645 -6.625 -12.721 441 1HD ARG 47 2HD ARG 47 17.849 -4.701 -12.695 442 2HD ARG 47 3HD ARG 47 18.658 -5.152 -14.182 443 HE ARG 47 HE ARG 47 15.948 -4.146 -14.630 444 1HH1 ARG 47 2HH2 ARG 47 19.314 -3.223 -14.187 445 2HH1 ARG 47 1HH2 ARG 47 19.138 -1.704 -15.001 446 1HH2 ARG 47 2HH1 ARG 47 15.714 -2.143 -15.704 447 2HH2 ARG 47 1HH1 ARG 47 17.076 -1.085 -15.870 448 H GLY 48 HN GLY 48 15.075 -8.697 -17.023 449 1HA GLY 48 1HA GLY 48 17.052 -8.197 -19.163 450 2HA GLY 48 2HA GLY 48 15.618 -9.193 -19.311 451 HA PRO 49 HA PRO 49 14.742 -4.730 -20.363 452 1HB PRO 49 2HB PRO 49 15.239 -4.615 -23.048 453 2HB PRO 49 3HB PRO 49 16.373 -4.049 -21.837 454 1HG PRO 49 2HG PRO 49 16.472 -6.519 -23.457 455 2HG PRO 49 3HG PRO 49 17.766 -5.731 -22.577 456 1HD PRO 49 2HD PRO 49 16.335 -8.086 -21.781 457 2HD PRO 49 3HD PRO 49 17.548 -7.231 -20.849 458 H ARG 50 HN ARG 50 12.611 -4.965 -19.918 459 HA ARG 50 HA ARG 50 11.182 -6.277 -22.090 460 1HB ARG 50 2HB ARG 50 11.138 -6.790 -19.269 461 2HB ARG 50 3HB ARG 50 9.595 -6.053 -19.653 462 1HG ARG 50 2HG ARG 50 9.170 -7.727 -21.409 463 2HG ARG 50 3HG ARG 50 10.771 -8.407 -21.202 464 1HD ARG 50 2HD ARG 50 9.852 -8.575 -18.619 465 2HD ARG 50 3HD ARG 50 8.337 -8.726 -19.488 466 HE ARG 50 HE ARG 50 9.051 -10.797 -20.379 467 1HH1 ARG 50 2HH2 ARG 50 11.711 -9.193 -18.726 468 2HH1 ARG 50 1HH2 ARG 50 12.736 -10.589 -18.752 469 1HH2 ARG 50 2HH1 ARG 50 10.403 -12.639 -20.412 470 2HH2 ARG 50 1HH1 ARG 50 11.988 -12.562 -19.717 471 HA PRO 51 HA PRO 51 9.723 -2.047 -22.223 472 1HB PRO 51 2HB PRO 51 9.203 -1.975 -24.904 473 2HB PRO 51 3HB PRO 51 10.753 -1.534 -24.217 474 1HG PRO 51 2HG PRO 51 10.005 -3.997 -25.671 475 2HG PRO 51 3HG PRO 51 11.603 -3.350 -25.357 476 1HD PRO 51 2HD PRO 51 10.343 -5.545 -24.008 477 2HD PRO 51 3HD PRO 51 11.892 -4.825 -23.617 478 H GLN 52 HN GLN 52 8.127 -3.597 -20.901 479 HA GLN 52 HA GLN 52 5.623 -2.833 -21.977 480 1HB GLN 52 2HB GLN 52 6.597 -5.569 -22.425 481 2HB GLN 52 3HB GLN 52 5.088 -5.558 -21.534 482 1HG GLN 52 2HG GLN 52 5.557 -4.035 -24.141 483 2HG GLN 52 3HG GLN 52 4.781 -5.602 -24.041 484 1HE2 GLN 52 1HE2 GLN 52 2.924 -4.689 -24.974 485 2HE2 GLN 52 2HE2 GLN 52 1.795 -3.749 -24.056 486 H THR 53 HN THR 53 3.865 -3.127 -20.385 487 HA THR 53 HA THR 53 3.081 -2.993 -18.308 488 HB THR 53 HB THR 53 5.018 -5.343 -18.111 489 HG1 THR 53 HG1 THR 53 2.732 -6.291 -18.003 490 1HG2 THR 53 1HG2 THR 53 3.529 -5.947 -16.078 491 2HG2 THR 53 2HG2 THR 53 4.766 -4.699 -15.791 492 3HG2 THR 53 3HG2 THR 53 3.066 -4.229 -16.039 493 H SER 54 HN SER 54 3.489 -2.319 -16.050 494 HA SER 54 HA SER 54 6.168 -1.387 -15.584 495 1HB SER 54 2HB SER 54 5.296 0.947 -15.038 496 2HB SER 54 3HB SER 54 5.351 0.543 -16.742 497 HG SER 54 HG SER 54 3.092 0.168 -16.740 498 H LEU 55 HN LEU 55 6.295 -2.693 -13.723 499 HA LEU 55 HA LEU 55 5.910 -3.392 -11.663 500 1HB LEU 55 2HB LEU 55 6.327 -0.901 -11.367 501 2HB LEU 55 3HB LEU 55 4.595 -0.727 -11.161 502 HG LEU 55 HG LEU 55 5.872 -2.778 -9.444 503 1HD1 LEU 55 1HD1 LEU 55 6.708 0.091 -9.397 504 2HD1 LEU 55 2HD1 LEU 55 6.471 -0.756 -7.849 505 3HD1 LEU 55 3HD1 LEU 55 7.638 -1.385 -9.037 506 1HD2 LEU 55 1HD2 LEU 55 3.767 -2.551 -8.702 507 2HD2 LEU 55 2HD2 LEU 55 4.409 -1.136 -7.834 508 3HD2 LEU 55 3HD2 LEU 55 3.584 -0.923 -9.397 509 H LEU 56 HN LEU 56 4.472 -5.070 -12.398 510 HA LEU 56 HA LEU 56 1.669 -4.521 -12.528 511 1HB LEU 56 2HB LEU 56 3.106 -6.265 -13.806 512 2HB LEU 56 3HB LEU 56 2.912 -7.249 -12.369 513 HG LEU 56 HG LEU 56 0.324 -6.583 -12.806 514 1HD1 LEU 56 1HD1 LEU 56 -0.266 -6.257 -14.987 515 2HD1 LEU 56 2HD1 LEU 56 1.301 -5.412 -14.972 516 3HD1 LEU 56 3HD1 LEU 56 1.188 -7.064 -15.624 517 1HD2 LEU 56 1HD2 LEU 56 0.611 -8.809 -12.508 518 2HD2 LEU 56 2HD2 LEU 56 0.413 -8.823 -14.277 519 3HD2 LEU 56 3HD2 LEU 56 2.043 -8.885 -13.564 Start of MODEL 5 1 1H5* C 504 1H5* C 504 36.290 -10.869 -0.936 2 2H5* C 504 2H5* C 504 37.351 -9.952 -2.006 3 H4* C 504 H4* C 504 35.917 -11.812 -3.024 4 H3* C 504 H3* C 504 35.498 -9.135 -4.386 5 H2* C 504 H2* C 504 35.394 -10.548 -6.274 6 2HO* C 504 2HO* C 504 36.450 -12.642 -6.068 7 H1* C 504 H1* C 504 34.036 -12.596 -5.110 8 1H4 C 504 1H4 C 504 29.254 -8.669 -6.612 9 2H4 C 504 2H4 C 504 29.687 -7.608 -5.289 10 H5 C 504 H5 C 504 31.567 -7.937 -3.899 11 H6 C 504 H6 C 504 33.515 -9.381 -3.430 12 1H5* C 505 1H5* C 505 36.661 -6.907 -6.625 13 2H5* C 505 2H5* C 505 36.325 -8.549 -6.075 14 H4* C 505 H4* C 505 38.752 -8.426 -7.675 15 H3* C 505 H3* C 505 36.376 -7.026 -8.768 16 H2* C 505 H2* C 505 36.415 -8.220 -10.815 17 2HO* C 505 2HO* C 505 38.325 -9.814 -10.914 18 H1* C 505 H1* C 505 36.557 -10.721 -9.661 19 1H4 C 505 1H4 C 505 30.296 -9.491 -10.128 20 2H4 C 505 2H4 C 505 30.347 -8.782 -8.529 21 H5 C 505 H5 C 505 32.338 -8.447 -7.302 22 H6 C 505 H6 C 505 34.792 -8.713 -7.307 23 1H5* U 506 1H5* U 506 39.026 -2.225 -9.377 24 2H5* U 506 2H5* U 506 37.815 -2.936 -8.310 25 H4* U 506 H4* U 506 37.174 -1.743 -10.587 26 H3* U 506 H3* U 506 35.858 -4.187 -9.382 27 H2* U 506 H2* U 506 34.281 -4.121 -11.099 28 2HO* U 506 2HO* U 506 33.657 -2.017 -11.075 29 H1* U 506 H1* U 506 36.295 -3.012 -12.937 30 H3 U 506 H3 U 506 36.358 -6.541 -15.711 31 H5 U 506 H5 U 506 34.544 -8.095 -12.271 32 H6 U 506 H6 U 506 34.980 -5.939 -11.187 33 1H5* C 507 1H5* C 507 34.149 -0.107 -10.386 34 2H5* C 507 2H5* C 507 33.797 0.296 -8.707 35 H4* C 507 H4* C 507 32.605 1.480 -10.790 36 H3* C 507 H3* C 507 31.641 1.006 -7.996 37 H2* C 507 H2* C 507 29.521 1.940 -8.513 38 2HO* C 507 2HO* C 507 29.337 2.966 -10.634 39 H1* C 507 H1* C 507 29.224 0.432 -10.858 40 1H4 C 507 1H4 C 507 26.200 -2.804 -6.224 41 2H4 C 507 2H4 C 507 27.666 -3.727 -5.984 42 H5 C 507 H5 C 507 29.712 -3.250 -7.061 43 H6 C 507 H6 C 507 30.869 -1.755 -8.649 44 1H5* C 508 1H5* C 508 34.691 4.869 -5.902 45 2H5* C 508 2H5* C 508 33.294 5.856 -6.334 46 H4* C 508 H4* C 508 35.462 7.042 -6.516 47 H3* C 508 H3* C 508 33.751 6.745 -8.988 48 H2* C 508 H2* C 508 35.227 8.153 -10.137 49 2HO* C 508 2HO* C 508 35.206 9.632 -8.334 50 H1* C 508 H1* C 508 37.488 7.055 -8.633 51 1H4 C 508 1H4 C 508 38.888 4.491 -14.286 52 2H4 C 508 2H4 C 508 37.249 4.756 -14.839 53 H5 C 508 H5 C 508 35.531 5.646 -13.485 54 H6 C 508 H6 C 508 34.955 6.509 -11.244 55 1H5* G 509 1H5* G 509 33.410 10.603 -10.632 56 2H5* G 509 2H5* G 509 32.042 10.970 -9.581 57 H4* G 509 H4* G 509 31.557 11.302 -11.978 58 H3* G 509 H3* G 509 29.940 9.295 -10.417 59 H2* G 509 H2* G 509 28.568 8.943 -12.293 60 2HO* G 509 2HO* G 509 28.669 10.557 -13.986 61 H1* G 509 H1* G 509 30.853 9.119 -14.075 62 H8 G 509 H8 G 509 29.987 6.821 -11.114 63 H1 G 509 H1 G 509 30.156 3.975 -16.925 64 1H2 G 509 1H2 G 509 30.607 5.379 -18.366 65 2H2 G 509 2H2 G 509 30.896 7.074 -18.048 66 1H5* U 510 1H5* U 510 26.324 13.809 -10.428 67 2H5* U 510 2H5* U 510 26.710 13.143 -8.841 68 H4* U 510 H4* U 510 24.399 13.143 -8.856 69 H3* U 510 H3* U 510 25.349 10.404 -9.693 70 H2* U 510 H2* U 510 23.098 9.661 -9.643 71 2HO* U 510 2HO* U 510 22.493 10.771 -7.776 72 H1* U 510 H1* U 510 22.185 12.001 -10.992 73 H3 U 510 H3 U 510 22.087 10.210 -15.131 74 H5 U 510 H5 U 510 24.468 7.526 -12.971 75 H6 U 510 H6 U 510 24.356 9.095 -11.089 76 1H ALA 1 HN ALA 1 18.950 41.733 -24.229 77 HA ALA 1 HA ALA 1 17.372 42.331 -21.896 78 1HB ALA 1 1HB ALA 1 15.817 40.629 -23.704 79 2HB ALA 1 2HB ALA 1 15.310 42.054 -22.767 80 3HB ALA 1 3HB ALA 1 16.066 42.262 -24.365 81 H THR 2 HN THR 2 17.229 40.527 -20.504 82 HA THR 2 HA THR 2 19.134 38.450 -21.104 83 HB THR 2 HB THR 2 18.902 39.611 -18.862 84 HG1 THR 2 HG1 THR 2 18.846 37.434 -17.769 85 1HG2 THR 2 1HG2 THR 2 16.293 38.004 -18.808 86 2HG2 THR 2 2HG2 THR 2 17.054 38.744 -17.379 87 3HG2 THR 2 3HG2 THR 2 16.433 39.775 -18.690 88 H VAL 3 HN VAL 3 18.775 36.269 -21.429 89 HA VAL 3 HA VAL 3 15.979 35.442 -21.598 90 HB VAL 3 HB VAL 3 16.407 34.382 -23.767 91 1HG1 VAL 3 1HG1 VAL 3 15.706 36.217 -24.872 92 2HG1 VAL 3 2HG1 VAL 3 15.787 37.006 -23.279 93 3HG1 VAL 3 3HG1 VAL 3 17.144 37.163 -24.420 94 1HG2 VAL 3 1HG2 VAL 3 19.014 35.938 -23.810 95 2HG2 VAL 3 2HG2 VAL 3 18.887 34.188 -23.504 96 3HG2 VAL 3 3HG2 VAL 3 18.380 34.857 -25.075 97 H VAL 4 HN VAL 4 15.893 32.950 -21.904 98 HA VAL 4 HA VAL 4 17.522 31.839 -19.855 99 HB VAL 4 HB VAL 4 15.162 31.266 -20.220 100 1HG1 VAL 4 1HG1 VAL 4 15.837 31.095 -22.899 101 2HG1 VAL 4 2HG1 VAL 4 15.627 29.392 -22.427 102 3HG1 VAL 4 3HG1 VAL 4 14.305 30.556 -22.169 103 1HG2 VAL 4 1HG2 VAL 4 15.740 28.619 -20.459 104 2HG2 VAL 4 2HG2 VAL 4 17.349 29.274 -20.069 105 3HG2 VAL 4 3HG2 VAL 4 15.979 29.566 -18.970 106 H SER 5 HN SER 5 19.561 31.094 -20.081 107 HA SER 5 HA SER 5 20.271 30.118 -22.738 108 1HB SER 5 2HB SER 5 21.350 32.334 -21.788 109 2HB SER 5 3HB SER 5 22.309 31.247 -20.802 110 HG SER 5 HG SER 5 22.129 31.187 -23.695 111 H GLY 6 HN GLY 6 21.498 28.163 -22.833 112 1HA GLY 6 1HA GLY 6 22.399 26.930 -20.367 113 2HA GLY 6 2HA GLY 6 21.027 26.150 -21.128 114 H GLN 7 HN GLN 7 23.780 25.099 -20.771 115 HA GLN 7 HA GLN 7 24.075 24.006 -23.309 116 1HB GLN 7 2HB GLN 7 26.237 24.946 -23.997 117 2HB GLN 7 3HB GLN 7 25.042 26.222 -23.870 118 1HG GLN 7 2HG GLN 7 26.143 26.084 -21.281 119 2HG GLN 7 3HG GLN 7 27.523 25.829 -22.330 120 1HE2 GLN 7 1HE2 GLN 7 24.932 27.980 -21.418 121 2HE2 GLN 7 2HE2 GLN 7 25.542 29.430 -22.145 122 H LYS 8 HN LYS 8 25.351 22.119 -23.194 123 HA LYS 8 HA LYS 8 25.814 21.060 -20.687 124 1HB LYS 8 2HB LYS 8 26.215 20.298 -23.469 125 2HB LYS 8 3HB LYS 8 27.507 19.695 -22.451 126 1HG LYS 8 2HG LYS 8 26.133 18.225 -21.357 127 2HG LYS 8 3HG LYS 8 24.836 19.396 -21.210 128 1HD LYS 8 2HD LYS 8 23.785 18.049 -22.743 129 2HD LYS 8 3HD LYS 8 24.731 18.957 -23.904 130 1HE LYS 8 2HE LYS 8 26.409 16.846 -22.876 131 2HE LYS 8 3HE LYS 8 24.864 16.135 -23.303 132 1HZ LYS 8 1HZ LYS 8 26.242 17.961 -25.127 133 2HZ LYS 8 2HZ LYS 8 26.577 16.362 -25.109 134 3HZ LYS 8 3HZ LYS 8 25.070 16.877 -25.473 135 H GLN 9 HN GLN 9 27.560 20.955 -19.293 136 HA GLN 9 HA GLN 9 30.128 21.733 -20.112 137 1HB GLN 9 2HB GLN 9 30.374 23.802 -18.817 138 2HB GLN 9 3HB GLN 9 29.110 23.997 -20.015 139 1HG GLN 9 2HG GLN 9 27.849 24.748 -18.261 140 2HG GLN 9 3HG GLN 9 27.635 23.048 -17.893 141 1HE2 GLN 9 1HE2 GLN 9 27.290 24.156 -15.754 142 2HE2 GLN 9 2HE2 GLN 9 28.654 24.319 -14.699 143 H ASP 10 HN ASP 10 31.390 20.383 -18.913 144 HA ASP 10 HA ASP 10 30.410 18.957 -16.790 145 1HB ASP 10 2HB ASP 10 32.916 18.533 -16.315 146 2HB ASP 10 3HB ASP 10 32.319 18.083 -17.899 147 H ARG 11 HN ARG 11 30.275 19.412 -14.564 148 HA ARG 11 HA ARG 11 30.612 22.012 -13.712 149 1HB ARG 11 2HB ARG 11 30.029 19.359 -12.437 150 2HB ARG 11 3HB ARG 11 30.618 20.602 -11.352 151 1HG ARG 11 2HG ARG 11 28.752 21.978 -11.674 152 2HG ARG 11 3HG ARG 11 28.450 21.379 -13.293 153 1HD ARG 11 2HD ARG 11 27.391 19.395 -12.506 154 2HD ARG 11 3HD ARG 11 28.123 19.518 -10.918 155 HE ARG 11 HE ARG 11 26.450 21.822 -11.453 156 1HH1 ARG 11 2HH2 ARG 11 26.319 18.428 -10.532 157 2HH1 ARG 11 1HH2 ARG 11 24.803 18.580 -9.706 158 1HH2 ARG 11 2HH1 ARG 11 24.451 22.022 -10.364 159 2HH2 ARG 11 1HH1 ARG 11 23.734 20.638 -9.610 160 H GLN 12 HN GLN 12 32.305 23.094 -12.639 161 HA GLN 12 HA GLN 12 34.863 22.028 -12.961 162 1HB GLN 12 2HB GLN 12 34.075 24.507 -12.860 163 2HB GLN 12 3HB GLN 12 34.170 24.340 -11.118 164 1HG GLN 12 2HG GLN 12 36.528 23.501 -12.829 165 2HG GLN 12 3HG GLN 12 36.275 25.200 -12.480 166 1HE2 GLN 12 1HE2 GLN 12 38.523 24.336 -11.585 167 2HE2 GLN 12 2HE2 GLN 12 38.547 24.029 -9.881 168 H GLY 13 HN GLY 13 35.265 20.111 -11.837 169 1HA GLY 13 1HA GLY 13 35.267 20.360 -8.900 170 2HA GLY 13 2HA GLY 13 34.523 18.973 -9.671 171 H GLY 14 HN GLY 14 36.191 17.745 -8.387 172 1HA GLY 14 1HA GLY 14 38.930 17.979 -9.377 173 2HA GLY 14 2HA GLY 14 38.359 17.015 -8.029 174 H GLU 15 HN GLU 15 38.564 17.226 -11.598 175 HA GLU 15 HA GLU 15 38.125 14.343 -11.634 176 1HB GLU 15 2HB GLU 15 37.072 16.489 -13.491 177 2HB GLU 15 3HB GLU 15 37.321 14.863 -14.097 178 1HG GLU 15 2HG GLU 15 35.177 14.545 -13.330 179 2HG GLU 15 3HG GLU 15 35.990 14.249 -11.807 180 H ARG 16 HN ARG 16 39.747 13.144 -12.584 181 HA ARG 16 HA ARG 16 41.618 14.636 -14.231 182 1HB ARG 16 2HB ARG 16 43.500 13.343 -13.170 183 2HB ARG 16 3HB ARG 16 42.679 14.388 -12.028 184 1HG ARG 16 2HG ARG 16 41.179 12.180 -11.638 185 2HG ARG 16 3HG ARG 16 42.618 11.381 -12.238 186 1HD ARG 16 2HD ARG 16 43.815 13.049 -10.469 187 2HD ARG 16 3HD ARG 16 42.240 12.965 -9.705 188 HE ARG 16 HE ARG 16 42.957 10.304 -10.346 189 1HH1 ARG 16 2HH2 ARG 16 44.145 12.900 -8.288 190 2HH1 ARG 16 1HH2 ARG 16 44.843 11.828 -7.121 191 1HH2 ARG 16 2HH1 ARG 16 43.878 8.889 -8.806 192 2HH2 ARG 16 1HH1 ARG 16 44.690 9.531 -7.417 193 H ARG 17 HN ARG 17 39.744 13.342 -15.587 194 HA ARG 17 HA ARG 17 39.265 11.766 -16.986 195 1HB ARG 17 2HB ARG 17 42.282 11.419 -16.823 196 2HB ARG 17 3HB ARG 17 41.337 10.355 -17.845 197 1HG ARG 17 2HG ARG 17 41.068 11.963 -19.430 198 2HG ARG 17 3HG ARG 17 40.527 13.139 -18.249 199 1HD ARG 17 2HD ARG 17 43.432 12.563 -18.066 200 2HD ARG 17 3HD ARG 17 42.959 13.223 -19.618 201 HE ARG 17 HE ARG 17 41.808 14.660 -17.331 202 1HH1 ARG 17 2HH2 ARG 17 44.554 14.419 -19.519 203 2HH1 ARG 17 1HH2 ARG 17 45.061 16.056 -19.266 204 1HH2 ARG 17 2HH1 ARG 17 42.478 16.819 -16.996 205 2HH2 ARG 17 1HH1 ARG 17 43.872 17.430 -17.821 206 H ARG 18 HN ARG 18 39.307 9.240 -17.406 207 HA ARG 18 HA ARG 18 39.782 7.871 -14.894 208 1HB ARG 18 2HB ARG 18 37.209 7.979 -16.503 209 2HB ARG 18 3HB ARG 18 37.573 6.544 -15.566 210 1HG ARG 18 2HG ARG 18 37.372 7.645 -13.520 211 2HG ARG 18 3HG ARG 18 37.896 9.186 -14.169 212 1HD ARG 18 2HD ARG 18 35.459 8.530 -15.527 213 2HD ARG 18 3HD ARG 18 35.186 8.183 -13.830 214 HE ARG 18 HE ARG 18 36.415 10.643 -13.728 215 1HH1 ARG 18 2HH2 ARG 18 33.673 9.421 -15.563 216 2HH1 ARG 18 1HH2 ARG 18 32.879 10.959 -15.643 217 1HH2 ARG 18 2HH1 ARG 18 35.368 12.671 -13.832 218 2HH2 ARG 18 1HH1 ARG 18 33.849 12.819 -14.652 219 H SER 19 HN SER 19 41.674 7.660 -16.779 220 HA SER 19 HA SER 19 42.810 6.247 -17.974 221 1HB SER 19 2HB SER 19 41.407 4.581 -16.319 222 2HB SER 19 3HB SER 19 40.847 3.993 -17.871 223 HG SER 19 HG SER 19 42.718 3.004 -18.131 224 H GLN 20 HN GLN 20 39.443 5.060 -18.700 225 HA GLN 20 HA GLN 20 39.390 6.436 -21.162 226 1HB GLN 20 2HB GLN 20 40.734 3.945 -21.205 227 2HB GLN 20 3HB GLN 20 39.148 3.608 -21.870 228 1HG GLN 20 2HG GLN 20 39.521 4.865 -23.760 229 2HG GLN 20 3HG GLN 20 40.361 6.128 -22.881 230 1HE2 GLN 20 1HE2 GLN 20 42.455 6.304 -23.128 231 2HE2 GLN 20 2HE2 GLN 20 43.541 5.103 -23.742 232 H LEU 21 HN LEU 21 37.823 6.048 -18.663 233 HA LEU 21 HA LEU 21 35.534 4.504 -19.545 234 1HB LEU 21 2HB LEU 21 36.274 4.237 -17.272 235 2HB LEU 21 3HB LEU 21 36.184 5.963 -16.984 236 HG LEU 21 HG LEU 21 34.305 4.376 -16.114 237 1HD1 LEU 21 1HD1 LEU 21 33.068 6.227 -15.751 238 2HD1 LEU 21 2HD1 LEU 21 34.482 7.049 -16.453 239 3HD1 LEU 21 3HD1 LEU 21 33.062 6.698 -17.468 240 1HD2 LEU 21 1HD2 LEU 21 32.957 4.948 -18.719 241 2HD2 LEU 21 2HD2 LEU 21 34.048 3.546 -18.611 242 3HD2 LEU 21 3HD2 LEU 21 32.648 3.670 -17.520 243 H ASP 22 HN ASP 22 34.515 5.561 -21.224 244 HA ASP 22 HA ASP 22 34.286 8.351 -21.269 245 1HB ASP 22 2HB ASP 22 32.924 6.080 -22.764 246 2HB ASP 22 3HB ASP 22 32.455 7.744 -23.048 247 H ARG 23 HN ARG 23 32.003 9.451 -21.383 248 HA ARG 23 HA ARG 23 30.676 8.882 -18.993 249 1HB ARG 23 2HB ARG 23 30.013 10.698 -21.356 250 2HB ARG 23 3HB ARG 23 29.003 10.632 -19.926 251 1HG ARG 23 2HG ARG 23 31.997 11.207 -19.799 252 2HG ARG 23 3HG ARG 23 30.798 12.475 -19.960 253 1HD ARG 23 2HD ARG 23 30.596 10.420 -17.724 254 2HD ARG 23 3HD ARG 23 31.615 11.834 -17.553 255 HE ARG 23 HE ARG 23 29.006 12.639 -18.468 256 1HH1 ARG 23 2HH2 ARG 23 30.665 11.470 -15.593 257 2HH1 ARG 23 1HH2 ARG 23 29.558 12.222 -14.493 258 1HH2 ARG 23 2HH1 ARG 23 27.546 13.631 -17.018 259 2HH2 ARG 23 1HH1 ARG 23 27.772 13.459 -15.309 260 H ASP 24 HN ASP 24 30.594 7.300 -21.963 261 HA ASP 24 HA ASP 24 27.839 6.466 -21.489 262 1HB ASP 24 2HB ASP 24 27.788 5.901 -23.958 263 2HB ASP 24 3HB ASP 24 27.909 7.616 -23.615 264 H GLN 25 HN GLN 25 30.636 5.522 -20.535 265 HA GLN 25 HA GLN 25 30.519 2.853 -21.710 266 1HB GLN 25 2HB GLN 25 32.751 4.666 -21.179 267 2HB GLN 25 3HB GLN 25 32.989 3.138 -20.354 268 1HG GLN 25 2HG GLN 25 33.333 2.002 -22.306 269 2HG GLN 25 3HG GLN 25 31.972 2.771 -23.100 270 1HE2 GLN 25 1HE2 GLN 25 35.310 3.266 -22.041 271 2HE2 GLN 25 2HE2 GLN 25 35.778 4.391 -23.272 272 H CYS 26 HN CYS 26 31.321 1.081 -20.109 273 HA CYS 26 HA CYS 26 29.857 1.511 -17.653 274 1HB CYS 26 2HB CYS 26 29.383 -0.520 -18.923 275 2HB CYS 26 3HB CYS 26 31.067 -1.000 -18.858 276 H ALA 27 HN ALA 27 30.851 1.709 -15.636 277 HA ALA 27 HA ALA 27 33.777 1.759 -15.683 278 1HB ALA 27 1HB ALA 27 31.939 2.809 -13.510 279 2HB ALA 27 2HB ALA 27 33.624 3.265 -13.853 280 3HB ALA 27 3HB ALA 27 32.325 3.760 -14.963 281 H TYR 28 HN TYR 28 32.266 -0.769 -15.704 282 HA TYR 28 HA TYR 28 33.145 -1.763 -13.080 283 1HB TYR 28 2HB TYR 28 30.563 -1.497 -13.630 284 2HB TYR 28 3HB TYR 28 30.808 -2.786 -14.792 285 HD1 TYR 28 HD1 TYR 28 30.315 -1.959 -11.303 286 HD2 TYR 28 HD2 TYR 28 31.553 -5.063 -13.974 287 HE1 TYR 28 HE1 TYR 28 29.961 -3.686 -9.472 288 HE2 TYR 28 HE2 TYR 28 31.194 -6.780 -12.134 289 HH TYR 28 HH TYR 28 30.456 -7.139 -10.130 290 H CYS 29 HN CYS 29 31.971 -2.966 -16.310 291 HA CYS 29 HA CYS 29 33.992 -5.036 -16.156 292 1HB CYS 29 2HB CYS 29 32.845 -5.993 -18.121 293 2HB CYS 29 3HB CYS 29 31.758 -5.753 -16.767 294 H LYS 30 HN LYS 30 33.310 -1.907 -17.588 295 HA LYS 30 HA LYS 30 34.817 -0.573 -18.616 296 1HB LYS 30 2HB LYS 30 36.583 -2.361 -17.914 297 2HB LYS 30 3HB LYS 30 36.455 -2.912 -19.573 298 1HG LYS 30 2HG LYS 30 38.242 -1.304 -19.550 299 2HG LYS 30 3HG LYS 30 36.885 -0.500 -20.314 300 1HD LYS 30 2HD LYS 30 38.007 0.963 -18.628 301 2HD LYS 30 3HD LYS 30 36.326 0.671 -18.227 302 1HE LYS 30 2HE LYS 30 37.924 0.449 -16.263 303 2HE LYS 30 3HE LYS 30 36.909 -0.954 -16.528 304 1HZ LYS 30 1HZ LYS 30 38.668 -2.180 -17.048 305 2HZ LYS 30 2HZ LYS 30 39.365 -1.031 -17.978 306 3HZ LYS 30 3HZ LYS 30 39.571 -1.007 -16.358 307 H GLU 31 HN GLU 31 32.387 -2.155 -19.543 308 HA GLU 31 HA GLU 31 32.898 -2.534 -22.322 309 1HB GLU 31 2HB GLU 31 30.479 -2.788 -20.522 310 2HB GLU 31 3HB GLU 31 30.265 -2.785 -22.261 311 1HG GLU 31 2HG GLU 31 32.384 -4.592 -21.090 312 2HG GLU 31 3HG GLU 31 30.705 -5.062 -20.911 313 H LYS 32 HN LYS 32 30.758 -1.510 -23.691 314 HA LYS 32 HA LYS 32 30.599 1.317 -22.992 315 1HB LYS 32 2HB LYS 32 31.157 1.952 -25.327 316 2HB LYS 32 3HB LYS 32 32.507 1.270 -24.442 317 1HG LYS 32 2HG LYS 32 32.172 -0.921 -25.529 318 2HG LYS 32 3HG LYS 32 30.721 -0.346 -26.322 319 1HD LYS 32 2HD LYS 32 31.949 1.164 -27.732 320 2HD LYS 32 3HD LYS 32 33.388 1.055 -26.738 321 1HE LYS 32 2HE LYS 32 33.931 -0.350 -28.553 322 2HE LYS 32 3HE LYS 32 33.370 -1.498 -27.353 323 1HZ LYS 32 1HZ LYS 32 31.534 -0.333 -29.312 324 2HZ LYS 32 2HZ LYS 32 32.411 -1.669 -29.651 325 3HZ LYS 32 3HZ LYS 32 31.336 -1.688 -28.422 326 H GLY 33 HN GLY 33 28.535 2.028 -23.153 327 1HA GLY 33 1HA GLY 33 26.629 2.123 -24.750 328 2HA GLY 33 2HA GLY 33 26.678 0.371 -24.754 329 H HIS 34 HN HIS 34 27.321 0.004 -21.915 330 HA HIS 34 HA HIS 34 24.807 0.978 -20.763 331 1HB HIS 34 2HB HIS 34 24.535 -1.084 -19.615 332 2HB HIS 34 3HB HIS 34 24.836 -1.461 -21.301 333 HD1 HIS 34 HD1 HIS 34 26.798 -2.980 -21.829 334 HD2 HIS 34 HD2 HIS 34 26.842 -1.576 -17.877 335 HE1 HIS 34 HE1 HIS 34 28.652 -4.263 -20.635 336 H TRP 35 HN TRP 35 24.847 1.313 -18.386 337 HA TRP 35 HA TRP 35 27.450 2.367 -17.616 338 1HB TRP 35 2HB TRP 35 24.627 2.942 -16.946 339 2HB TRP 35 3HB TRP 35 25.768 3.094 -15.626 340 HD1 TRP 35 HD1 TRP 35 26.090 4.229 -19.366 341 HE1 TRP 35 HE1 TRP 35 26.829 6.759 -19.494 342 HE3 TRP 35 HE3 TRP 35 26.157 5.011 -14.342 343 HZ2 TRP 35 HZ2 TRP 35 27.348 8.758 -17.525 344 HZ3 TRP 35 HZ3 TRP 35 26.790 7.279 -13.528 345 HH2 TRP 35 HH2 TRP 35 27.372 9.118 -15.029 346 H ALA 36 HN ALA 36 28.140 1.962 -15.282 347 HA ALA 36 HA ALA 36 28.332 -0.777 -14.820 348 1HB ALA 36 1HB ALA 36 29.926 0.997 -14.060 349 2HB ALA 36 2HB ALA 36 28.720 1.521 -12.860 350 3HB ALA 36 3HB ALA 36 29.435 -0.106 -12.753 351 H LYS 37 HN LYS 37 26.031 1.714 -13.684 352 HA LYS 37 HA LYS 37 24.886 0.091 -11.671 353 1HB LYS 37 2HB LYS 37 24.124 2.655 -13.050 354 2HB LYS 37 3HB LYS 37 22.984 1.852 -11.988 355 1HG LYS 37 2HG LYS 37 24.037 2.997 -10.315 356 2HG LYS 37 3HG LYS 37 25.268 1.757 -10.445 357 1HD LYS 37 2HD LYS 37 26.607 3.135 -11.952 358 2HD LYS 37 3HD LYS 37 25.320 4.314 -12.110 359 1HE LYS 37 2HE LYS 37 26.469 3.678 -9.372 360 2HE LYS 37 3HE LYS 37 27.307 4.788 -10.438 361 1HZ LYS 37 1HZ LYS 37 25.867 6.082 -9.191 362 2HZ LYS 37 2HZ LYS 37 25.095 5.942 -10.623 363 3HZ LYS 37 3HZ LYS 37 24.607 5.054 -9.343 364 H ASP 38 HN ASP 38 24.948 -0.213 -15.035 365 HA ASP 38 HA ASP 38 22.483 -1.760 -14.901 366 1HB ASP 38 2HB ASP 38 22.855 0.514 -16.455 367 2HB ASP 38 3HB ASP 38 23.300 -0.754 -17.579 368 H CYS 39 HN CYS 39 25.593 -2.180 -14.671 369 HA CYS 39 HA CYS 39 26.490 -3.465 -16.962 370 1HB CYS 39 2HB CYS 39 27.919 -2.682 -15.065 371 2HB CYS 39 3HB CYS 39 27.328 -4.017 -14.097 372 HA PRO 40 HA PRO 40 24.110 -7.124 -16.654 373 1HB PRO 40 2HB PRO 40 25.254 -8.537 -18.694 374 2HB PRO 40 3HB PRO 40 24.003 -7.336 -18.944 375 1HG PRO 40 2HG PRO 40 26.904 -7.130 -19.477 376 2HG PRO 40 3HG PRO 40 25.601 -6.136 -20.098 377 1HD PRO 40 2HD PRO 40 27.446 -5.442 -18.014 378 2HD PRO 40 3HD PRO 40 26.072 -4.498 -18.556 379 H LYS 41 HN LYS 41 27.158 -6.729 -15.633 380 HA LYS 41 HA LYS 41 27.519 -9.570 -15.062 381 1HB LYS 41 2HB LYS 41 29.351 -8.101 -16.081 382 2HB LYS 41 3HB LYS 41 29.470 -7.325 -14.514 383 1HG LYS 41 2HG LYS 41 29.945 -9.506 -13.434 384 2HG LYS 41 3HG LYS 41 29.733 -10.337 -14.962 385 1HD LYS 41 2HD LYS 41 31.686 -9.259 -15.924 386 2HD LYS 41 3HD LYS 41 31.804 -8.130 -14.589 387 1HE LYS 41 2HE LYS 41 33.374 -9.640 -13.831 388 2HE LYS 41 3HE LYS 41 31.962 -10.441 -13.171 389 1HZ LYS 41 1HZ LYS 41 31.879 -11.621 -15.385 390 2HZ LYS 41 2HZ LYS 41 33.403 -11.086 -15.630 391 3HZ LYS 41 3HZ LYS 41 33.073 -12.059 -14.360 392 H LYS 42 HN LYS 42 26.369 -6.590 -13.695 393 HA LYS 42 HA LYS 42 27.033 -6.973 -11.024 394 1HB LYS 42 2HB LYS 42 25.259 -5.280 -12.604 395 2HB LYS 42 3HB LYS 42 24.545 -5.702 -11.060 396 1HG LYS 42 2HG LYS 42 27.230 -5.138 -10.418 397 2HG LYS 42 3HG LYS 42 26.835 -3.942 -11.636 398 1HD LYS 42 2HD LYS 42 24.829 -4.423 -9.435 399 2HD LYS 42 3HD LYS 42 26.289 -3.542 -9.031 400 1HE LYS 42 2HE LYS 42 25.496 -2.350 -11.439 401 2HE LYS 42 3HE LYS 42 23.967 -2.682 -10.650 402 1HZ LYS 42 1HZ LYS 42 25.938 -0.780 -9.969 403 2HZ LYS 42 2HZ LYS 42 24.386 -0.879 -9.475 404 3HZ LYS 42 3HZ LYS 42 25.549 -1.704 -8.680 405 HA PRO 43 HA PRO 43 24.570 -10.551 -10.402 406 1HB PRO 43 2HB PRO 43 25.687 -11.292 -8.020 407 2HB PRO 43 3HB PRO 43 26.335 -11.776 -9.574 408 1HG PRO 43 2HG PRO 43 27.360 -9.739 -7.694 409 2HG PRO 43 3HG PRO 43 28.194 -10.532 -9.015 410 1HD PRO 43 2HD PRO 43 27.144 -7.862 -9.003 411 2HD PRO 43 3HD PRO 43 27.875 -8.695 -10.361 412 H ARG 44 HN ARG 44 22.769 -11.215 -9.173 413 HA ARG 44 HA ARG 44 21.052 -10.871 -7.908 414 1HB ARG 44 2HB ARG 44 23.181 -9.453 -6.317 415 2HB ARG 44 3HB ARG 44 21.519 -9.149 -5.851 416 1HG ARG 44 2HG ARG 44 21.234 -11.752 -5.900 417 2HG ARG 44 3HG ARG 44 22.986 -11.812 -5.915 418 1HD ARG 44 2HD ARG 44 22.958 -10.313 -3.829 419 2HD ARG 44 3HD ARG 44 21.221 -10.534 -3.775 420 HE ARG 44 HE ARG 44 22.198 -13.129 -3.945 421 1HH1 ARG 44 2HH2 ARG 44 22.775 -10.418 -1.778 422 2HH1 ARG 44 1HH2 ARG 44 23.144 -11.422 -0.414 423 1HH2 ARG 44 2HH1 ARG 44 22.683 -14.454 -2.147 424 2HH2 ARG 44 1HH1 ARG 44 23.090 -13.732 -0.625 425 H GLY 45 HN GLY 45 19.689 -9.783 -9.383 426 1HA GLY 45 1HA GLY 45 19.052 -7.070 -8.808 427 2HA GLY 45 2HA GLY 45 19.957 -7.192 -10.304 428 HA PRO 46 HA PRO 46 18.653 -5.683 -10.814 429 1HB PRO 46 2HB PRO 46 16.485 -4.081 -11.257 430 2HB PRO 46 3HB PRO 46 17.458 -4.755 -12.549 431 1HG PRO 46 2HG PRO 46 14.768 -5.574 -11.634 432 2HG PRO 46 3HG PRO 46 15.567 -5.929 -13.153 433 1HD PRO 46 2HD PRO 46 15.234 -7.711 -10.930 434 2HD PRO 46 3HD PRO 46 16.132 -8.027 -12.401 435 H ARG 47 HN ARG 47 18.300 -3.510 -9.601 436 HA ARG 47 HA ARG 47 18.086 -2.536 -7.686 437 1HB ARG 47 2HB ARG 47 15.704 -4.412 -7.527 438 2HB ARG 47 3HB ARG 47 16.106 -3.421 -6.139 439 1HG ARG 47 2HG ARG 47 16.249 -1.585 -8.235 440 2HG ARG 47 3HG ARG 47 14.937 -2.628 -8.747 441 1HD ARG 47 2HD ARG 47 13.699 -2.230 -6.689 442 2HD ARG 47 3HD ARG 47 15.073 -1.446 -5.937 443 HE ARG 47 HE ARG 47 14.230 -0.143 -8.421 444 1HH1 ARG 47 2HH2 ARG 47 13.707 -0.329 -4.946 445 2HH1 ARG 47 1HH2 ARG 47 13.033 1.262 -4.833 446 1HH2 ARG 47 2HH1 ARG 47 13.340 1.957 -8.273 447 2HH2 ARG 47 1HH1 ARG 47 12.823 2.571 -6.739 448 H GLY 48 HN GLY 48 18.256 -2.881 -5.176 449 1HA GLY 48 1HA GLY 48 18.927 -5.485 -4.218 450 2HA GLY 48 2HA GLY 48 20.363 -4.542 -4.568 451 HA PRO 49 HA PRO 49 19.203 -3.277 -0.420 452 1HB PRO 49 2HB PRO 49 21.724 -3.277 0.636 453 2HB PRO 49 3HB PRO 49 20.656 -4.664 0.706 454 1HG PRO 49 2HG PRO 49 23.013 -4.225 -1.025 455 2HG PRO 49 3HG PRO 49 22.203 -5.729 -0.633 456 1HD PRO 49 2HD PRO 49 21.990 -4.252 -3.083 457 2HD PRO 49 3HD PRO 49 21.093 -5.693 -2.646 458 H ARG 50 HN ARG 50 20.190 -1.454 1.077 459 HA ARG 50 HA ARG 50 20.608 0.657 1.263 460 1HB ARG 50 2HB ARG 50 22.435 -0.178 -0.897 461 2HB ARG 50 3HB ARG 50 22.013 1.518 -1.036 462 1HG ARG 50 2HG ARG 50 23.375 2.050 0.696 463 2HG ARG 50 3HG ARG 50 22.526 0.941 1.754 464 1HD ARG 50 2HD ARG 50 24.048 -0.792 1.403 465 2HD ARG 50 3HD ARG 50 24.416 -0.290 -0.234 466 HE ARG 50 HE ARG 50 25.455 1.788 1.215 467 1HH1 ARG 50 2HH2 ARG 50 25.782 -1.700 1.547 468 2HH1 ARG 50 1HH2 ARG 50 27.368 -1.614 2.237 469 1HH2 ARG 50 2HH1 ARG 50 27.547 1.902 2.125 470 2HH2 ARG 50 1HH1 ARG 50 28.379 0.449 2.569 471 HA PRO 51 HA PRO 51 17.586 2.692 -1.137 472 1HB PRO 51 2HB PRO 51 17.971 5.298 -0.411 473 2HB PRO 51 3HB PRO 51 17.089 4.149 0.576 474 1HG PRO 51 2HG PRO 51 19.817 5.218 0.966 475 2HG PRO 51 3HG PRO 51 18.772 4.423 2.127 476 1HD PRO 51 2HD PRO 51 21.025 3.271 0.775 477 2HD PRO 51 3HD PRO 51 19.911 2.445 1.847 478 H GLN 52 HN GLN 52 17.076 4.114 -2.937 479 HA GLN 52 HA GLN 52 19.135 5.501 -4.169 480 1HB GLN 52 2HB GLN 52 19.537 4.039 -6.147 481 2HB GLN 52 3HB GLN 52 20.119 3.317 -4.660 482 1HG GLN 52 2HG GLN 52 17.289 2.666 -5.372 483 2HG GLN 52 3HG GLN 52 18.501 2.022 -6.461 484 1HE2 GLN 52 1HE2 GLN 52 16.732 0.653 -4.609 485 2HE2 GLN 52 2HE2 GLN 52 17.720 -0.270 -3.525 486 H THR 53 HN THR 53 16.686 6.372 -3.571 487 HA THR 53 HA THR 53 14.641 5.803 -5.400 488 HB THR 53 HB THR 53 14.435 6.925 -3.136 489 HG1 THR 53 HG1 THR 53 12.913 8.561 -4.116 490 1HG2 THR 53 1HG2 THR 53 16.328 8.558 -3.346 491 2HG2 THR 53 2HG2 THR 53 15.486 9.339 -4.705 492 3HG2 THR 53 3HG2 THR 53 14.781 9.394 -3.073 493 H SER 54 HN SER 54 13.904 6.807 -7.282 494 HA SER 54 HA SER 54 15.986 8.396 -8.564 495 1HB SER 54 2HB SER 54 14.901 7.568 -10.728 496 2HB SER 54 3HB SER 54 15.751 6.359 -9.787 497 HG SER 54 HG SER 54 13.905 5.319 -9.362 498 H LEU 55 HN LEU 55 15.393 10.366 -9.571 499 HA LEU 55 HA LEU 55 14.186 12.164 -10.001 500 1HB LEU 55 2HB LEU 55 11.866 10.230 -10.041 501 2HB LEU 55 3HB LEU 55 11.776 11.906 -10.544 502 HG LEU 55 HG LEU 55 13.916 10.389 -11.880 503 1HD1 LEU 55 1HD1 LEU 55 11.877 9.475 -13.414 504 2HD1 LEU 55 2HD1 LEU 55 12.711 8.511 -12.172 505 3HD1 LEU 55 3HD1 LEU 55 11.166 9.310 -11.791 506 1HD2 LEU 55 1HD2 LEU 55 11.632 11.906 -13.136 507 2HD2 LEU 55 2HD2 LEU 55 13.024 12.731 -12.395 508 3HD2 LEU 55 3HD2 LEU 55 13.272 11.622 -13.766 509 H LEU 56 HN LEU 56 13.628 13.853 -8.694 510 HA LEU 56 HA LEU 56 13.216 14.909 -6.793 511 1HB LEU 56 2HB LEU 56 10.934 14.298 -7.658 512 2HB LEU 56 3HB LEU 56 10.919 12.972 -6.513 513 HG LEU 56 HG LEU 56 11.482 14.991 -4.814 514 1HD1 LEU 56 1HD1 LEU 56 11.216 17.009 -5.692 515 2HD1 LEU 56 2HD1 LEU 56 10.707 16.312 -7.248 516 3HD1 LEU 56 3HD1 LEU 56 9.502 16.627 -5.978 517 1HD2 LEU 56 1HD2 LEU 56 8.785 14.037 -5.795 518 2HD2 LEU 56 2HD2 LEU 56 9.722 13.455 -4.398 519 3HD2 LEU 56 3HD2 LEU 56 8.998 15.082 -4.370 Start of MODEL 6 1 1H5* C 504 1H5* C 504 32.941 -13.929 -7.268 2 2H5* C 504 2H5* C 504 33.466 -12.269 -6.987 3 H4* C 504 H4* C 504 35.238 -13.967 -7.664 4 H3* C 504 H3* C 504 34.920 -11.222 -8.693 5 H2* C 504 H2* C 504 35.516 -11.979 -10.804 6 2HO* C 504 2HO* C 504 37.329 -10.898 -9.865 7 H1* C 504 H1* C 504 37.088 -14.336 -10.269 8 1H4 C 504 1H4 C 504 32.761 -17.069 -14.057 9 2H4 C 504 2H4 C 504 31.680 -15.713 -13.830 10 H5 C 504 H5 C 504 32.130 -13.898 -12.388 11 H6 C 504 H6 C 504 33.747 -12.929 -10.791 12 1H5* C 505 1H5* C 505 39.014 -9.537 -7.384 13 2H5* C 505 2H5* C 505 38.186 -8.006 -7.091 14 H4* C 505 H4* C 505 39.690 -7.899 -9.021 15 H3* C 505 H3* C 505 36.746 -7.478 -9.458 16 H2* C 505 H2* C 505 37.067 -7.186 -11.737 17 2HO* C 505 2HO* C 505 39.323 -6.584 -12.377 18 H1* C 505 H1* C 505 39.434 -8.970 -11.635 19 1H4 C 505 1H4 C 505 35.793 -11.838 -16.000 20 2H4 C 505 2H4 C 505 34.506 -12.028 -14.830 21 H5 C 505 H5 C 505 34.593 -11.180 -12.628 22 H6 C 505 H6 C 505 35.951 -9.929 -10.989 23 1H5* U 506 1H5* U 506 39.053 -3.828 -9.306 24 2H5* U 506 2H5* U 506 38.567 -2.313 -8.545 25 H4* U 506 H4* U 506 37.508 -1.959 -10.487 26 H3* U 506 H3* U 506 35.583 -3.790 -9.061 27 H2* U 506 H2* U 506 34.278 -3.918 -10.951 28 2HO* U 506 2HO* U 506 35.321 -1.642 -12.195 29 H1* U 506 H1* U 506 36.633 -3.123 -12.618 30 H3 U 506 H3 U 506 36.221 -6.460 -15.565 31 H5 U 506 H5 U 506 34.096 -7.914 -12.261 32 H6 U 506 H6 U 506 34.766 -5.883 -11.061 33 1H5* C 507 1H5* C 507 34.132 -0.127 -10.360 34 2H5* C 507 2H5* C 507 34.280 1.030 -9.038 35 H4* C 507 H4* C 507 32.700 1.771 -10.760 36 H3* C 507 H3* C 507 31.745 1.326 -7.959 37 H2* C 507 H2* C 507 29.546 2.003 -8.543 38 2HO* C 507 2HO* C 507 30.519 2.435 -11.203 39 H1* C 507 H1* C 507 29.483 0.379 -10.844 40 1H4 C 507 1H4 C 507 26.541 -2.885 -6.170 41 2H4 C 507 2H4 C 507 28.060 -3.694 -5.859 42 H5 C 507 H5 C 507 30.099 -3.108 -6.897 43 H6 C 507 H6 C 507 31.193 -1.586 -8.505 44 1H5* C 508 1H5* C 508 32.572 5.877 -5.752 45 2H5* C 508 2H5* C 508 31.883 7.102 -6.818 46 H4* C 508 H4* C 508 34.160 7.629 -5.945 47 H3* C 508 H3* C 508 33.624 7.531 -8.907 48 H2* C 508 H2* C 508 35.824 8.261 -9.332 49 2HO* C 508 2HO* C 508 35.933 8.621 -6.476 50 H1* C 508 H1* C 508 36.850 6.568 -7.218 51 1H4 C 508 1H4 C 508 38.865 3.273 -12.260 52 2H4 C 508 2H4 C 508 37.370 3.583 -13.115 53 H5 C 508 H5 C 508 35.579 4.836 -12.221 54 H6 C 508 H6 C 508 34.773 6.113 -10.267 55 1H5* G 509 1H5* G 509 30.162 8.129 -9.672 56 2H5* G 509 2H5* G 509 31.762 8.160 -10.415 57 H4* G 509 H4* G 509 30.556 10.711 -10.832 58 H3* G 509 H3* G 509 28.608 8.494 -11.049 59 H2* G 509 H2* G 509 27.957 9.023 -13.255 60 2HO* G 509 2HO* G 509 29.639 11.315 -12.786 61 H1* G 509 H1* G 509 30.437 9.169 -14.339 62 H8 G 509 H8 G 509 29.980 6.933 -11.267 63 H1 G 509 H1 G 509 29.742 3.888 -16.972 64 1H2 G 509 1H2 G 509 29.856 5.272 -18.497 65 2H2 G 509 2H2 G 509 29.997 7.000 -18.264 66 1H5* U 510 1H5* U 510 26.065 13.503 -9.823 67 2H5* U 510 2H5* U 510 26.051 12.116 -8.733 68 H4* U 510 H4* U 510 23.922 13.327 -8.728 69 H3* U 510 H3* U 510 23.957 10.469 -9.658 70 H2* U 510 H2* U 510 21.603 10.499 -9.892 71 2HO* U 510 2HO* U 510 21.846 13.114 -8.708 72 H1* U 510 H1* U 510 21.671 13.085 -11.129 73 H3 U 510 H3 U 510 20.140 11.031 -14.788 74 H5 U 510 H5 U 510 23.533 8.761 -13.848 75 H6 U 510 H6 U 510 23.811 10.181 -11.867 76 1H ALA 1 HN ALA 1 38.365 24.180 -6.827 77 HA ALA 1 HA ALA 1 37.980 25.857 -8.715 78 1HB ALA 1 1HB ALA 1 35.461 26.530 -7.265 79 2HB ALA 1 2HB ALA 1 35.862 26.676 -8.994 80 3HB ALA 1 3HB ALA 1 35.408 25.095 -8.317 81 H THR 2 HN THR 2 36.506 26.104 -5.394 82 HA THR 2 HA THR 2 38.735 27.879 -4.682 83 HB THR 2 HB THR 2 37.025 29.361 -3.560 84 HG1 THR 2 HG1 THR 2 35.222 27.679 -5.145 85 1HG2 THR 2 1HG2 THR 2 35.666 29.501 -6.065 86 2HG2 THR 2 2HG2 THR 2 37.028 30.516 -5.532 87 3HG2 THR 2 3HG2 THR 2 37.337 29.020 -6.446 88 H VAL 3 HN VAL 3 39.629 27.526 -2.714 89 HA VAL 3 HA VAL 3 38.138 25.767 -0.907 90 HB VAL 3 HB VAL 3 41.001 25.463 -1.827 91 1HG1 VAL 3 1HG1 VAL 3 40.083 25.015 0.751 92 2HG1 VAL 3 2HG1 VAL 3 39.977 23.408 -0.008 93 3HG1 VAL 3 3HG1 VAL 3 41.526 24.285 0.007 94 1HG2 VAL 3 1HG2 VAL 3 39.136 23.164 -1.841 95 2HG2 VAL 3 2HG2 VAL 3 38.747 24.469 -2.988 96 3HG2 VAL 3 3HG2 VAL 3 40.340 23.679 -3.047 97 H VAL 4 HN VAL 4 37.641 27.965 0.009 98 HA VAL 4 HA VAL 4 39.603 29.677 0.938 99 HB VAL 4 HB VAL 4 37.848 30.507 2.438 100 1HG1 VAL 4 1HG1 VAL 4 37.283 29.938 -0.454 101 2HG1 VAL 4 2HG1 VAL 4 36.029 30.720 0.539 102 3HG1 VAL 4 3HG1 VAL 4 37.627 31.483 0.360 103 1HG2 VAL 4 1HG2 VAL 4 36.519 27.910 1.690 104 2HG2 VAL 4 2HG2 VAL 4 36.699 28.674 3.289 105 3HG2 VAL 4 3HG2 VAL 4 35.537 29.334 2.113 106 H SER 5 HN SER 5 40.469 30.014 3.107 107 HA SER 5 HA SER 5 41.749 27.944 4.146 108 1HB SER 5 2HB SER 5 40.677 30.463 5.435 109 2HB SER 5 3HB SER 5 41.547 29.299 6.414 110 HG SER 5 HG SER 5 43.105 30.714 5.653 111 H GLY 6 HN GLY 6 41.027 25.966 4.845 112 1HA GLY 6 1HA GLY 6 39.341 25.660 7.056 113 2HA GLY 6 2HA GLY 6 38.366 25.463 5.614 114 H GLN 7 HN GLN 7 41.011 24.140 7.570 115 HA GLN 7 HA GLN 7 40.793 21.712 5.973 116 1HB GLN 7 2HB GLN 7 43.268 23.174 6.889 117 2HB GLN 7 3HB GLN 7 43.319 21.424 6.802 118 1HG GLN 7 2HG GLN 7 43.521 21.489 4.545 119 2HG GLN 7 3HG GLN 7 42.047 22.425 4.397 120 1HE2 GLN 7 1HE2 GLN 7 43.672 23.081 2.575 121 2HE2 GLN 7 2HE2 GLN 7 44.571 24.533 2.865 122 H LYS 8 HN LYS 8 41.619 19.724 7.285 123 HA LYS 8 HA LYS 8 41.166 20.125 10.145 124 1HB LYS 8 2HB LYS 8 39.216 19.080 8.435 125 2HB LYS 8 3HB LYS 8 39.944 17.663 9.165 126 1HG LYS 8 2HG LYS 8 39.251 18.226 11.310 127 2HG LYS 8 3HG LYS 8 39.375 19.950 11.020 128 1HD LYS 8 2HD LYS 8 37.069 19.783 11.018 129 2HD LYS 8 3HD LYS 8 37.345 19.452 9.320 130 1HE LYS 8 2HE LYS 8 37.232 17.236 11.413 131 2HE LYS 8 3HE LYS 8 35.802 17.806 10.574 132 1HZ LYS 8 1HZ LYS 8 37.611 15.976 9.668 133 2HZ LYS 8 2HZ LYS 8 36.383 16.636 8.818 134 3HZ LYS 8 3HZ LYS 8 37.874 17.298 8.747 135 H GLN 9 HN GLN 9 41.985 18.263 11.454 136 HA GLN 9 HA GLN 9 44.551 17.680 10.792 137 1HB GLN 9 2HB GLN 9 43.062 17.359 13.011 138 2HB GLN 9 3HB GLN 9 43.027 15.695 12.462 139 1HG GLN 9 2HG GLN 9 45.240 15.350 12.949 140 2HG GLN 9 3HG GLN 9 45.727 16.908 12.312 141 1HE2 GLN 9 1HE2 GLN 9 43.871 15.489 14.996 142 2HE2 GLN 9 2HE2 GLN 9 44.424 16.561 16.239 143 H ASP 10 HN ASP 10 41.695 15.430 10.581 144 HA ASP 10 HA ASP 10 42.983 13.312 9.511 145 1HB ASP 10 2HB ASP 10 40.222 14.290 8.654 146 2HB ASP 10 3HB ASP 10 40.797 12.636 8.598 147 H ARG 11 HN ARG 11 43.290 12.567 7.258 148 HA ARG 11 HA ARG 11 43.421 14.815 5.421 149 1HB ARG 11 2HB ARG 11 45.370 12.903 6.166 150 2HB ARG 11 3HB ARG 11 44.853 12.383 4.575 151 1HG ARG 11 2HG ARG 11 46.496 13.908 3.960 152 2HG ARG 11 3HG ARG 11 45.108 14.978 3.982 153 1HD ARG 11 2HD ARG 11 46.603 14.607 6.574 154 2HD ARG 11 3HD ARG 11 47.385 15.553 5.323 155 HE ARG 11 HE ARG 11 44.978 16.294 6.832 156 1HH1 ARG 11 2HH2 ARG 11 46.877 16.890 3.930 157 2HH1 ARG 11 1HH2 ARG 11 46.239 18.481 3.685 158 1HH2 ARG 11 2HH1 ARG 11 44.136 18.393 6.509 159 2HH2 ARG 11 1HH1 ARG 11 44.669 19.342 5.161 160 H GLN 12 HN GLN 12 42.112 14.771 3.602 161 HA GLN 12 HA GLN 12 40.484 12.422 3.271 162 1HB GLN 12 2HB GLN 12 40.365 15.286 2.378 163 2HB GLN 12 3HB GLN 12 39.553 14.106 1.368 164 1HG GLN 12 2HG GLN 12 37.834 13.954 2.839 165 2HG GLN 12 3HG GLN 12 38.931 13.521 4.136 166 1HE2 GLN 12 1HE2 GLN 12 37.622 16.239 2.293 167 2HE2 GLN 12 2HE2 GLN 12 37.717 17.433 3.545 168 H GLY 13 HN GLY 13 39.979 11.797 0.849 169 1HA GLY 13 1HA GLY 13 42.564 11.260 -0.401 170 2HA GLY 13 2HA GLY 13 41.030 10.485 -0.743 171 H GLY 14 HN GLY 14 40.936 10.808 -2.981 172 1HA GLY 14 1HA GLY 14 39.742 12.915 -4.101 173 2HA GLY 14 2HA GLY 14 41.406 13.464 -4.063 174 H GLU 15 HN GLU 15 42.997 12.486 -5.407 175 HA GLU 15 HA GLU 15 43.733 11.528 -7.211 176 1HB GLU 15 2HB GLU 15 43.310 9.478 -5.773 177 2HB GLU 15 3HB GLU 15 41.787 9.259 -6.612 178 1HG GLU 15 2HG GLU 15 43.437 9.497 -8.771 179 2HG GLU 15 3HG GLU 15 44.586 8.855 -7.613 180 H ARG 16 HN ARG 16 43.132 12.832 -8.932 181 HA ARG 16 HA ARG 16 40.470 12.364 -9.991 182 1HB ARG 16 2HB ARG 16 42.037 14.741 -9.565 183 2HB ARG 16 3HB ARG 16 41.852 14.562 -11.298 184 1HG ARG 16 2HG ARG 16 39.413 14.452 -11.097 185 2HG ARG 16 3HG ARG 16 39.510 14.383 -9.348 186 1HD ARG 16 2HD ARG 16 40.958 16.722 -10.361 187 2HD ARG 16 3HD ARG 16 39.310 16.716 -10.956 188 HE ARG 16 HE ARG 16 39.036 16.092 -8.259 189 1HH1 ARG 16 2HH2 ARG 16 40.540 18.724 -10.045 190 2HH1 ARG 16 1HH2 ARG 16 40.284 19.891 -8.791 191 1HH2 ARG 16 2HH1 ARG 16 38.699 17.630 -6.603 192 2HH2 ARG 16 1HH1 ARG 16 39.231 19.265 -6.820 193 H ARG 17 HN ARG 17 40.942 10.432 -11.207 194 HA ARG 17 HA ARG 17 41.901 10.903 -13.758 195 1HB ARG 17 2HB ARG 17 44.120 10.820 -12.475 196 2HB ARG 17 3HB ARG 17 43.765 9.150 -12.083 197 1HG ARG 17 2HG ARG 17 44.418 8.434 -14.140 198 2HG ARG 17 3HG ARG 17 43.405 9.613 -14.949 199 1HD ARG 17 2HD ARG 17 45.108 11.273 -14.952 200 2HD ARG 17 3HD ARG 17 45.990 10.516 -13.641 201 HE ARG 17 HE ARG 17 45.938 8.648 -15.774 202 1HH1 ARG 17 2HH2 ARG 17 47.257 11.843 -15.116 203 2HH1 ARG 17 1HH2 ARG 17 48.598 11.653 -16.196 204 1HH2 ARG 17 2HH1 ARG 17 47.707 8.396 -17.200 205 2HH2 ARG 17 1HH1 ARG 17 48.855 9.679 -17.390 206 H ARG 18 HN ARG 18 40.154 9.732 -14.572 207 HA ARG 18 HA ARG 18 39.874 7.028 -13.532 208 1HB ARG 18 2HB ARG 18 37.820 8.848 -14.886 209 2HB ARG 18 3HB ARG 18 37.505 7.180 -14.454 210 1HG ARG 18 2HG ARG 18 37.914 7.678 -12.064 211 2HG ARG 18 3HG ARG 18 38.360 9.327 -12.457 212 1HD ARG 18 2HD ARG 18 35.639 8.238 -13.266 213 2HD ARG 18 3HD ARG 18 35.907 8.840 -11.642 214 HE ARG 18 HE ARG 18 36.170 11.044 -12.495 215 1HH1 ARG 18 2HH2 ARG 18 35.837 8.704 -15.101 216 2HH1 ARG 18 1HH2 ARG 18 35.558 9.906 -16.317 217 1HH2 ARG 18 2HH1 ARG 18 35.801 12.632 -14.098 218 2HH2 ARG 18 1HH1 ARG 18 35.538 12.155 -15.742 219 H SER 19 HN SER 19 41.861 6.946 -15.223 220 HA SER 19 HA SER 19 42.638 6.541 -17.244 221 1HB SER 19 2HB SER 19 41.721 4.470 -18.232 222 2HB SER 19 3HB SER 19 41.829 4.337 -16.487 223 HG SER 19 HG SER 19 39.506 4.975 -16.433 224 H GLN 20 HN GLN 20 39.443 5.588 -18.474 225 HA GLN 20 HA GLN 20 39.128 8.133 -19.788 226 1HB GLN 20 2HB GLN 20 39.880 5.578 -21.175 227 2HB GLN 20 3HB GLN 20 38.683 6.588 -21.964 228 1HG GLN 20 2HG GLN 20 40.178 8.395 -22.232 229 2HG GLN 20 3HG GLN 20 41.203 7.883 -20.905 230 1HE2 GLN 20 1HE2 GLN 20 41.509 8.446 -23.905 231 2HE2 GLN 20 2HE2 GLN 20 42.450 7.124 -24.509 232 H LEU 21 HN LEU 21 37.595 7.142 -17.697 233 HA LEU 21 HA LEU 21 35.476 5.501 -18.433 234 1HB LEU 21 2HB LEU 21 36.367 6.663 -16.149 235 2HB LEU 21 3HB LEU 21 34.947 7.639 -16.468 236 HG LEU 21 HG LEU 21 35.088 4.658 -16.002 237 1HD1 LEU 21 1HD1 LEU 21 34.110 5.033 -13.992 238 2HD1 LEU 21 2HD1 LEU 21 34.918 6.609 -14.178 239 3HD1 LEU 21 3HD1 LEU 21 33.190 6.443 -14.571 240 1HD2 LEU 21 1HD2 LEU 21 33.392 5.829 -17.852 241 2HD2 LEU 21 2HD2 LEU 21 33.161 4.260 -17.046 242 3HD2 LEU 21 3HD2 LEU 21 32.399 5.723 -16.379 243 H ASP 22 HN ASP 22 34.432 5.896 -20.354 244 HA ASP 22 HA ASP 22 33.889 8.492 -21.228 245 1HB ASP 22 2HB ASP 22 33.826 5.950 -22.327 246 2HB ASP 22 3HB ASP 22 32.114 6.299 -22.192 247 H ARG 23 HN ARG 23 31.702 9.507 -21.425 248 HA ARG 23 HA ARG 23 30.252 9.284 -19.071 249 1HB ARG 23 2HB ARG 23 29.953 10.750 -21.685 250 2HB ARG 23 3HB ARG 23 28.516 10.627 -20.688 251 1HG ARG 23 2HG ARG 23 31.209 11.811 -19.871 252 2HG ARG 23 3HG ARG 23 29.709 12.686 -20.110 253 1HD ARG 23 2HD ARG 23 29.022 10.695 -18.237 254 2HD ARG 23 3HD ARG 23 30.632 11.181 -17.749 255 HE ARG 23 HE ARG 23 29.005 13.503 -18.336 256 1HH1 ARG 23 2HH2 ARG 23 29.568 11.040 -15.886 257 2HH1 ARG 23 1HH2 ARG 23 29.004 12.028 -14.580 258 1HH2 ARG 23 2HH1 ARG 23 28.260 14.807 -16.613 259 2HH2 ARG 23 1HH1 ARG 23 28.256 14.186 -14.997 260 H ASP 24 HN ASP 24 30.345 7.242 -21.772 261 HA ASP 24 HA ASP 24 27.723 6.204 -21.068 262 1HB ASP 24 2HB ASP 24 27.377 5.608 -23.484 263 2HB ASP 24 3HB ASP 24 27.412 7.336 -23.201 264 H GLN 25 HN GLN 25 30.552 5.539 -20.283 265 HA GLN 25 HA GLN 25 30.708 2.903 -21.525 266 1HB GLN 25 2HB GLN 25 32.634 4.376 -22.109 267 2HB GLN 25 3HB GLN 25 32.991 4.590 -20.406 268 1HG GLN 25 2HG GLN 25 32.852 1.808 -20.652 269 2HG GLN 25 3HG GLN 25 33.575 2.289 -22.176 270 1HE2 GLN 25 1HE2 GLN 25 35.386 1.069 -21.249 271 2HE2 GLN 25 2HE2 GLN 25 36.538 1.888 -20.250 272 H CYS 26 HN CYS 26 30.614 1.135 -20.162 273 HA CYS 26 HA CYS 26 29.760 1.492 -17.552 274 1HB CYS 26 2HB CYS 26 29.277 -0.521 -18.873 275 2HB CYS 26 3HB CYS 26 30.970 -0.973 -18.852 276 H ALA 27 HN ALA 27 30.871 1.713 -15.607 277 HA ALA 27 HA ALA 27 33.789 1.785 -15.821 278 1HB ALA 27 1HB ALA 27 33.534 3.041 -13.613 279 2HB ALA 27 2HB ALA 27 32.863 3.852 -15.048 280 3HB ALA 27 3HB ALA 27 31.779 3.021 -13.908 281 H TYR 28 HN TYR 28 32.237 -0.741 -15.724 282 HA TYR 28 HA TYR 28 33.280 -1.722 -13.155 283 1HB TYR 28 2HB TYR 28 30.671 -1.472 -13.579 284 2HB TYR 28 3HB TYR 28 30.866 -2.768 -14.742 285 HD1 TYR 28 HD1 TYR 28 30.856 -1.893 -11.174 286 HD2 TYR 28 HD2 TYR 28 31.347 -5.058 -14.010 287 HE1 TYR 28 HE1 TYR 28 30.601 -3.608 -9.314 288 HE2 TYR 28 HE2 TYR 28 31.090 -6.763 -12.141 289 HH TYR 28 HH TYR 28 30.296 -7.003 -10.024 290 H CYS 29 HN CYS 29 31.958 -2.937 -16.323 291 HA CYS 29 HA CYS 29 34.001 -4.994 -16.261 292 1HB CYS 29 2HB CYS 29 32.756 -6.007 -18.115 293 2HB CYS 29 3HB CYS 29 31.718 -5.712 -16.734 294 H LYS 30 HN LYS 30 33.285 -1.854 -17.588 295 HA LYS 30 HA LYS 30 34.628 -0.516 -18.775 296 1HB LYS 30 2HB LYS 30 36.398 -2.601 -18.225 297 2HB LYS 30 3HB LYS 30 36.464 -2.448 -19.969 298 1HG LYS 30 2HG LYS 30 37.845 -0.672 -19.670 299 2HG LYS 30 3HG LYS 30 36.455 0.221 -19.083 300 1HD LYS 30 2HD LYS 30 37.120 -1.199 -16.821 301 2HD LYS 30 3HD LYS 30 38.702 -1.015 -17.550 302 1HE LYS 30 2HE LYS 30 36.754 1.209 -16.798 303 2HE LYS 30 3HE LYS 30 38.327 0.897 -16.090 304 1HZ LYS 30 1HZ LYS 30 38.571 2.622 -17.637 305 2HZ LYS 30 2HZ LYS 30 39.250 1.314 -18.341 306 3HZ LYS 30 3HZ LYS 30 37.774 1.824 -18.817 307 H GLU 31 HN GLU 31 32.242 -2.149 -19.596 308 HA GLU 31 HA GLU 31 32.780 -2.375 -22.438 309 1HB GLU 31 2HB GLU 31 30.427 -3.322 -20.746 310 2HB GLU 31 3HB GLU 31 30.516 -3.510 -22.486 311 1HG GLU 31 2HG GLU 31 32.466 -4.945 -22.328 312 2HG GLU 31 3HG GLU 31 32.695 -4.561 -20.634 313 H LYS 32 HN LYS 32 32.114 -0.800 -23.841 314 HA LYS 32 HA LYS 32 30.629 1.413 -22.753 315 1HB LYS 32 2HB LYS 32 32.500 1.960 -24.118 316 2HB LYS 32 3HB LYS 32 31.989 0.879 -25.399 317 1HG LYS 32 2HG LYS 32 29.982 2.950 -24.626 318 2HG LYS 32 3HG LYS 32 31.451 3.579 -25.346 319 1HD LYS 32 2HD LYS 32 30.893 2.807 -27.418 320 2HD LYS 32 3HD LYS 32 30.471 1.221 -26.804 321 1HE LYS 32 2HE LYS 32 28.355 1.889 -27.458 322 2HE LYS 32 3HE LYS 32 28.335 2.562 -25.840 323 1HZ LYS 32 1HZ LYS 32 27.725 4.090 -27.703 324 2HZ LYS 32 2HZ LYS 32 28.850 4.662 -26.666 325 3HZ LYS 32 3HZ LYS 32 29.300 4.106 -28.135 326 H GLY 33 HN GLY 33 28.515 1.988 -23.210 327 1HA GLY 33 1HA GLY 33 26.740 1.704 -24.960 328 2HA GLY 33 2HA GLY 33 26.982 -0.018 -24.750 329 H HIS 34 HN HIS 34 27.514 0.186 -21.807 330 HA HIS 34 HA HIS 34 24.882 1.064 -20.895 331 1HB HIS 34 2HB HIS 34 24.542 -0.946 -19.639 332 2HB HIS 34 3HB HIS 34 24.828 -1.373 -21.314 333 HD1 HIS 34 HD1 HIS 34 26.849 -2.856 -21.846 334 HD2 HIS 34 HD2 HIS 34 26.726 -1.582 -17.852 335 HE1 HIS 34 HE1 HIS 34 28.633 -4.199 -20.613 336 H TRP 35 HN TRP 35 24.837 1.218 -18.409 337 HA TRP 35 HA TRP 35 27.385 2.395 -17.594 338 1HB TRP 35 2HB TRP 35 24.528 2.898 -16.979 339 2HB TRP 35 3HB TRP 35 25.659 3.110 -15.656 340 HD1 TRP 35 HD1 TRP 35 25.873 4.208 -19.417 341 HE1 TRP 35 HE1 TRP 35 26.563 6.749 -19.591 342 HE3 TRP 35 HE3 TRP 35 26.101 5.030 -14.406 343 HZ2 TRP 35 HZ2 TRP 35 27.115 8.772 -17.656 344 HZ3 TRP 35 HZ3 TRP 35 26.723 7.317 -13.631 345 HH2 TRP 35 HH2 TRP 35 27.221 9.153 -15.166 346 H ALA 36 HN ALA 36 28.109 1.955 -15.318 347 HA ALA 36 HA ALA 36 28.253 -0.782 -14.830 348 1HB ALA 36 1HB ALA 36 28.720 1.543 -12.918 349 2HB ALA 36 2HB ALA 36 29.379 -0.103 -12.766 350 3HB ALA 36 3HB ALA 36 29.901 0.943 -14.107 351 H LYS 37 HN LYS 37 26.002 1.758 -13.708 352 HA LYS 37 HA LYS 37 24.871 0.248 -11.622 353 1HB LYS 37 2HB LYS 37 24.188 2.736 -13.126 354 2HB LYS 37 3HB LYS 37 22.906 1.962 -12.218 355 1HG LYS 37 2HG LYS 37 23.723 2.959 -10.353 356 2HG LYS 37 3HG LYS 37 25.111 1.894 -10.461 357 1HD LYS 37 2HD LYS 37 26.387 3.516 -11.722 358 2HD LYS 37 3HD LYS 37 24.971 4.499 -12.034 359 1HE LYS 37 2HE LYS 37 26.099 3.995 -9.239 360 2HE LYS 37 3HE LYS 37 26.495 5.400 -10.208 361 1HZ LYS 37 1HZ LYS 37 23.896 4.659 -9.097 362 2HZ LYS 37 2HZ LYS 37 24.726 6.052 -8.903 363 3HZ LYS 37 3HZ LYS 37 24.006 5.724 -10.331 364 H ASP 38 HN ASP 38 24.863 -0.204 -15.001 365 HA ASP 38 HA ASP 38 22.536 -1.923 -14.695 366 1HB ASP 38 2HB ASP 38 22.537 0.366 -16.246 367 2HB ASP 38 3HB ASP 38 23.066 -0.825 -17.419 368 H CYS 39 HN CYS 39 25.503 -2.369 -14.482 369 HA CYS 39 HA CYS 39 26.494 -3.410 -16.882 370 1HB CYS 39 2HB CYS 39 27.908 -2.715 -14.964 371 2HB CYS 39 3HB CYS 39 27.317 -4.082 -14.037 372 HA PRO 40 HA PRO 40 24.200 -7.143 -16.828 373 1HB PRO 40 2HB PRO 40 25.326 -8.338 -19.013 374 2HB PRO 40 3HB PRO 40 24.030 -7.162 -19.124 375 1HG PRO 40 2HG PRO 40 26.907 -6.814 -19.717 376 2HG PRO 40 3HG PRO 40 25.555 -5.816 -20.213 377 1HD PRO 40 2HD PRO 40 27.440 -5.239 -18.130 378 2HD PRO 40 3HD PRO 40 26.022 -4.299 -18.550 379 H LYS 41 HN LYS 41 27.258 -6.732 -15.850 380 HA LYS 41 HA LYS 41 27.641 -9.612 -15.451 381 1HB LYS 41 2HB LYS 41 29.390 -8.021 -16.593 382 2HB LYS 41 3HB LYS 41 29.759 -7.539 -14.949 383 1HG LYS 41 2HG LYS 41 29.717 -10.259 -14.631 384 2HG LYS 41 3HG LYS 41 30.217 -10.168 -16.308 385 1HD LYS 41 2HD LYS 41 32.306 -9.477 -15.736 386 2HD LYS 41 3HD LYS 41 31.677 -8.197 -14.717 387 1HE LYS 41 2HE LYS 41 33.028 -9.823 -13.400 388 2HE LYS 41 3HE LYS 41 31.367 -9.777 -12.844 389 1HZ LYS 41 1HZ LYS 41 32.064 -11.703 -14.899 390 2HZ LYS 41 2HZ LYS 41 32.530 -12.011 -13.365 391 3HZ LYS 41 3HZ LYS 41 30.948 -11.812 -13.712 392 H LYS 42 HN LYS 42 26.651 -6.662 -13.946 393 HA LYS 42 HA LYS 42 27.592 -7.089 -11.354 394 1HB LYS 42 2HB LYS 42 25.679 -5.343 -12.722 395 2HB LYS 42 3HB LYS 42 25.175 -5.745 -11.093 396 1HG LYS 42 2HG LYS 42 27.305 -4.969 -10.167 397 2HG LYS 42 3HG LYS 42 27.986 -4.766 -11.768 398 1HD LYS 42 2HD LYS 42 27.339 -2.576 -11.424 399 2HD LYS 42 3HD LYS 42 25.826 -3.170 -12.077 400 1HE LYS 42 2HE LYS 42 24.817 -3.351 -9.920 401 2HE LYS 42 3HE LYS 42 26.359 -3.328 -9.091 402 1HZ LYS 42 1HZ LYS 42 26.474 -1.006 -10.273 403 2HZ LYS 42 2HZ LYS 42 24.848 -1.125 -10.180 404 3HZ LYS 42 3HZ LYS 42 25.751 -1.197 -8.822 405 HA PRO 43 HA PRO 43 25.074 -10.285 -9.919 406 1HB PRO 43 2HB PRO 43 25.008 -9.792 -7.233 407 2HB PRO 43 3HB PRO 43 26.364 -10.561 -8.033 408 1HG PRO 43 2HG PRO 43 26.140 -7.796 -7.015 409 2HG PRO 43 3HG PRO 43 27.584 -8.703 -7.419 410 1HD PRO 43 2HD PRO 43 26.359 -6.639 -8.989 411 2HD PRO 43 3HD PRO 43 27.732 -7.626 -9.445 412 H ARG 44 HN ARG 44 23.452 -8.803 -11.284 413 HA ARG 44 HA ARG 44 21.419 -8.095 -11.469 414 1HB ARG 44 2HB ARG 44 21.228 -10.129 -9.280 415 2HB ARG 44 3HB ARG 44 19.844 -9.064 -9.421 416 1HG ARG 44 2HG ARG 44 19.215 -9.915 -11.478 417 2HG ARG 44 3HG ARG 44 20.867 -10.158 -12.007 418 1HD ARG 44 2HD ARG 44 19.625 -11.891 -9.830 419 2HD ARG 44 3HD ARG 44 19.438 -12.281 -11.529 420 HE ARG 44 HE ARG 44 21.896 -12.505 -9.941 421 1HH1 ARG 44 2HH2 ARG 44 20.560 -12.267 -13.187 422 2HH1 ARG 44 1HH2 ARG 44 21.940 -12.990 -13.946 423 1HH2 ARG 44 2HH1 ARG 44 23.717 -13.457 -10.940 424 2HH2 ARG 44 1HH1 ARG 44 23.748 -13.670 -12.659 425 H GLY 45 HN GLY 45 22.072 -5.856 -10.996 426 1HA GLY 45 1HA GLY 45 21.537 -4.931 -8.257 427 2HA GLY 45 2HA GLY 45 22.423 -4.076 -9.504 428 HA PRO 46 HA PRO 46 21.905 -2.474 -8.347 429 1HB PRO 46 2HB PRO 46 20.634 -0.600 -6.817 430 2HB PRO 46 3HB PRO 46 21.332 -0.244 -8.383 431 1HG PRO 46 2HG PRO 46 18.487 -0.573 -7.655 432 2HG PRO 46 3HG PRO 46 19.175 0.186 -9.076 433 1HD PRO 46 2HD PRO 46 17.972 -2.415 -8.931 434 2HD PRO 46 3HD PRO 46 18.763 -1.702 -10.323 435 H ARG 47 HN ARG 47 18.767 -2.980 -6.819 436 HA ARG 47 HA ARG 47 18.290 -3.762 -4.832 437 1HB ARG 47 2HB ARG 47 20.211 -5.870 -5.920 438 2HB ARG 47 3HB ARG 47 19.282 -6.137 -4.459 439 1HG ARG 47 2HG ARG 47 17.224 -5.390 -5.981 440 2HG ARG 47 3HG ARG 47 18.292 -5.821 -7.302 441 1HD ARG 47 2HD ARG 47 17.852 -8.024 -6.977 442 2HD ARG 47 3HD ARG 47 18.446 -7.927 -5.332 443 HE ARG 47 HE ARG 47 15.632 -7.774 -6.195 444 1HH1 ARG 47 2HH2 ARG 47 17.928 -7.234 -3.584 445 2HH1 ARG 47 1HH2 ARG 47 16.720 -7.279 -2.342 446 1HH2 ARG 47 2HH1 ARG 47 14.039 -7.834 -4.557 447 2HH2 ARG 47 1HH1 ARG 47 14.494 -7.623 -2.900 448 H GLY 48 HN GLY 48 19.209 -2.161 -3.402 449 1HA GLY 48 1HA GLY 48 20.507 -2.582 -1.267 450 2HA GLY 48 2HA GLY 48 21.883 -2.809 -2.329 451 HA PRO 49 HA PRO 49 20.552 1.770 -2.263 452 1HB PRO 49 2HB PRO 49 19.391 2.633 0.056 453 2HB PRO 49 3HB PRO 49 18.474 2.225 -1.380 454 1HG PRO 49 2HG PRO 49 18.782 0.682 1.122 455 2HG PRO 49 3HG PRO 49 17.564 0.515 -0.127 456 1HD PRO 49 2HD PRO 49 19.834 -1.188 0.295 457 2HD PRO 49 3HD PRO 49 18.682 -1.285 -1.022 458 H ARG 50 HN ARG 50 21.103 3.766 -0.550 459 HA ARG 50 HA ARG 50 23.611 2.788 0.562 460 1HB ARG 50 2HB ARG 50 23.256 4.714 -1.442 461 2HB ARG 50 3HB ARG 50 23.461 5.696 -0.005 462 1HG ARG 50 2HG ARG 50 25.602 4.661 0.505 463 2HG ARG 50 3HG ARG 50 25.360 3.414 -0.703 464 1HD ARG 50 2HD ARG 50 25.284 5.297 -2.465 465 2HD ARG 50 3HD ARG 50 25.818 6.389 -1.203 466 HE ARG 50 HE ARG 50 27.962 5.430 -1.288 467 1HH1 ARG 50 2HH2 ARG 50 25.683 3.388 -3.025 468 2HH1 ARG 50 1HH2 ARG 50 26.911 2.367 -3.695 469 1HH2 ARG 50 2HH1 ARG 50 29.583 4.083 -2.171 470 2HH2 ARG 50 1HH1 ARG 50 29.145 2.765 -3.206 471 HA PRO 51 HA PRO 51 21.377 4.394 4.095 472 1HB PRO 51 2HB PRO 51 22.463 2.707 5.949 473 2HB PRO 51 3HB PRO 51 21.000 2.337 5.058 474 1HG PRO 51 2HG PRO 51 23.723 1.244 4.690 475 2HG PRO 51 3HG PRO 51 22.195 0.601 4.120 476 1HD PRO 51 2HD PRO 51 24.157 1.998 2.562 477 2HD PRO 51 3HD PRO 51 22.580 1.457 2.021 478 H GLN 52 HN GLN 52 24.795 3.536 4.174 479 HA GLN 52 HA GLN 52 25.181 6.124 5.462 480 1HB GLN 52 2HB GLN 52 25.765 3.581 6.550 481 2HB GLN 52 3HB GLN 52 27.319 4.205 6.032 482 1HG GLN 52 2HG GLN 52 27.033 6.238 7.347 483 2HG GLN 52 3HG GLN 52 25.360 5.851 7.693 484 1HE2 GLN 52 1HE2 GLN 52 24.935 3.816 8.854 485 2HE2 GLN 52 2HE2 GLN 52 26.024 3.316 10.105 486 H THR 53 HN THR 53 27.595 6.882 5.174 487 HA THR 53 HA THR 53 28.097 6.896 2.363 488 HB THR 53 HB THR 53 28.402 8.871 3.878 489 HG1 THR 53 HG1 THR 53 29.760 8.283 1.878 490 1HG2 THR 53 1HG2 THR 53 29.642 8.732 5.791 491 2HG2 THR 53 2HG2 THR 53 29.835 6.987 5.501 492 3HG2 THR 53 3HG2 THR 53 31.038 8.135 4.863 493 H SER 54 HN SER 54 29.295 5.565 1.163 494 HA SER 54 HA SER 54 31.198 3.914 2.634 495 1HB SER 54 2HB SER 54 30.711 2.060 1.168 496 2HB SER 54 3HB SER 54 29.178 2.670 1.760 497 HG SER 54 HG SER 54 29.657 2.238 -0.720 498 H LEU 55 HN LEU 55 33.215 4.730 2.165 499 HA LEU 55 HA LEU 55 34.984 5.347 0.994 500 1HB LEU 55 2HB LEU 55 33.961 3.391 -0.499 501 2HB LEU 55 3HB LEU 55 33.763 4.703 -1.642 502 HG LEU 55 HG LEU 55 35.838 3.510 -2.046 503 1HD1 LEU 55 1HD1 LEU 55 35.554 6.241 -1.900 504 2HD1 LEU 55 2HD1 LEU 55 37.047 5.956 -0.974 505 3HD1 LEU 55 3HD1 LEU 55 36.914 5.371 -2.651 506 1HD2 LEU 55 1HD2 LEU 55 36.163 2.726 0.301 507 2HD2 LEU 55 2HD2 LEU 55 37.636 3.366 -0.468 508 3HD2 LEU 55 3HD2 LEU 55 36.748 4.356 0.716 509 H LEU 56 HN LEU 56 35.639 7.404 0.602 510 HA LEU 56 HA LEU 56 35.584 9.530 0.009 511 1HB LEU 56 2HB LEU 56 34.696 8.233 -2.196 512 2HB LEU 56 3HB LEU 56 33.334 9.293 -1.893 513 HG LEU 56 HG LEU 56 35.291 11.115 -1.693 514 1HD1 LEU 56 1HD1 LEU 56 37.204 10.721 -2.886 515 2HD1 LEU 56 2HD1 LEU 56 36.907 9.097 -2.221 516 3HD1 LEU 56 3HD1 LEU 56 36.451 9.468 -3.901 517 1HD2 LEU 56 1HD2 LEU 56 34.385 11.978 -3.558 518 2HD2 LEU 56 2HD2 LEU 56 34.666 10.500 -4.510 519 3HD2 LEU 56 3HD2 LEU 56 33.259 10.606 -3.425 Start of MODEL 7 1 1H5* C 504 1H5* C 504 34.170 -8.613 -2.003 2 2H5* C 504 2H5* C 504 34.297 -7.554 -3.407 3 H4* C 504 H4* C 504 35.478 -9.944 -3.268 4 H3* C 504 H3* C 504 34.296 -8.672 -5.758 5 H2* C 504 H2* C 504 35.439 -10.347 -6.973 6 2HO* C 504 2HO* C 504 37.241 -11.272 -6.006 7 H1* C 504 H1* C 504 34.749 -12.064 -4.610 8 1H4 C 504 1H4 C 504 32.355 -15.705 -9.232 9 2H4 C 504 2H4 C 504 31.707 -14.304 -10.056 10 H5 C 504 H5 C 504 31.978 -12.087 -9.292 11 H6 C 504 H6 C 504 32.949 -10.652 -7.532 12 1H5* C 505 1H5* C 505 38.087 -8.532 -6.375 13 2H5* C 505 2H5* C 505 38.989 -7.124 -6.934 14 H4* C 505 H4* C 505 39.294 -8.607 -8.666 15 H3* C 505 H3* C 505 36.933 -6.865 -9.342 16 H2* C 505 H2* C 505 36.763 -7.931 -11.448 17 2HO* C 505 2HO* C 505 39.015 -8.001 -11.797 18 H1* C 505 H1* C 505 37.150 -10.515 -10.297 19 1H4 C 505 1H4 C 505 30.871 -10.257 -11.377 20 2H4 C 505 2H4 C 505 30.682 -9.144 -10.041 21 H5 C 505 H5 C 505 32.485 -8.260 -8.798 22 H6 C 505 H6 C 505 34.939 -8.226 -8.529 23 1H5* U 506 1H5* U 506 39.510 -2.113 -9.694 24 2H5* U 506 2H5* U 506 38.333 -2.979 -8.707 25 H4* U 506 H4* U 506 37.726 -1.580 -10.938 26 H3* U 506 H3* U 506 36.307 -3.958 -9.725 27 H2* U 506 H2* U 506 34.696 -3.797 -11.401 28 2HO* U 506 2HO* U 506 35.846 -1.177 -11.744 29 H1* U 506 H1* U 506 36.729 -2.767 -13.273 30 H3 U 506 H3 U 506 36.490 -6.223 -16.125 31 H5 U 506 H5 U 506 34.709 -7.760 -12.659 32 H6 U 506 H6 U 506 35.300 -5.658 -11.543 33 1H5* C 507 1H5* C 507 34.670 0.315 -10.612 34 2H5* C 507 2H5* C 507 34.300 0.607 -8.913 35 H4* C 507 H4* C 507 33.039 1.793 -11.001 36 H3* C 507 H3* C 507 32.231 1.342 -8.154 37 H2* C 507 H2* C 507 30.064 2.220 -8.572 38 2HO* C 507 2HO* C 507 29.746 3.295 -10.604 39 H1* C 507 H1* C 507 29.661 0.669 -10.861 40 1H4 C 507 1H4 C 507 27.097 -2.588 -5.967 41 2H4 C 507 2H4 C 507 28.594 -3.488 -5.856 42 H5 C 507 H5 C 507 30.530 -2.981 -7.109 43 H6 C 507 H6 C 507 31.518 -1.470 -8.794 44 1H5* C 508 1H5* C 508 34.687 5.532 -6.027 45 2H5* C 508 2H5* C 508 32.938 5.488 -6.250 46 H4* C 508 H4* C 508 33.343 7.743 -6.302 47 H3* C 508 H3* C 508 32.976 6.641 -8.964 48 H2* C 508 H2* C 508 34.119 8.250 -10.209 49 2HO* C 508 2HO* C 508 34.049 9.702 -7.721 50 H1* C 508 H1* C 508 36.366 8.496 -8.773 51 1H4 C 508 1H4 C 508 37.383 2.208 -10.209 52 2H4 C 508 2H4 C 508 36.689 2.693 -11.740 53 H5 C 508 H5 C 508 35.684 4.797 -12.121 54 H6 C 508 H6 C 508 35.092 6.974 -11.117 55 1H5* G 509 1H5* G 509 31.555 9.910 -10.076 56 2H5* G 509 2H5* G 509 29.992 10.277 -9.345 57 H4* G 509 H4* G 509 29.993 11.226 -11.515 58 H3* G 509 H3* G 509 28.282 8.780 -11.244 59 H2* G 509 H2* G 509 27.578 8.978 -13.504 60 2HO* G 509 2HO* G 509 29.151 11.390 -13.397 61 H1* G 509 H1* G 509 30.146 9.243 -14.515 62 H8 G 509 H8 G 509 29.319 6.999 -11.516 63 H1 G 509 H1 G 509 30.011 3.943 -17.178 64 1H2 G 509 1H2 G 509 30.339 5.326 -18.672 65 2H2 G 509 2H2 G 509 30.414 7.056 -18.427 66 1H5* U 510 1H5* U 510 24.932 10.646 -8.846 67 2H5* U 510 2H5* U 510 26.322 9.788 -8.180 68 H4* U 510 H4* U 510 24.569 8.698 -7.173 69 H3* U 510 H3* U 510 25.320 7.169 -9.652 70 H2* U 510 H2* U 510 23.681 5.535 -9.146 71 2HO* U 510 2HO* U 510 23.118 7.009 -6.755 72 H1* U 510 H1* U 510 21.762 7.554 -8.471 73 H3 U 510 H3 U 510 20.042 5.098 -11.950 74 H5 U 510 H5 U 510 22.634 7.870 -13.721 75 H6 U 510 H6 U 510 23.401 8.445 -11.463 76 1H ALA 1 HN ALA 1 29.526 -27.362 9.724 77 HA ALA 1 HA ALA 1 30.771 -28.330 7.241 78 1HB ALA 1 1HB ALA 1 28.363 -28.436 7.013 79 2HB ALA 1 2HB ALA 1 28.180 -26.793 7.674 80 3HB ALA 1 3HB ALA 1 28.944 -27.033 6.085 81 H THR 2 HN THR 2 32.752 -27.252 7.556 82 HA THR 2 HA THR 2 32.541 -24.344 7.307 83 HB THR 2 HB THR 2 34.318 -24.098 9.050 84 HG1 THR 2 HG1 THR 2 35.056 -26.392 8.570 85 1HG2 THR 2 1HG2 THR 2 32.047 -23.999 9.980 86 2HG2 THR 2 2HG2 THR 2 31.905 -25.772 9.919 87 3HG2 THR 2 3HG2 THR 2 33.038 -25.008 11.060 88 H VAL 3 HN VAL 3 34.009 -23.418 5.935 89 HA VAL 3 HA VAL 3 36.201 -25.098 5.011 90 HB VAL 3 HB VAL 3 35.627 -24.614 2.663 91 1HG1 VAL 3 1HG1 VAL 3 34.982 -26.751 3.827 92 2HG1 VAL 3 2HG1 VAL 3 33.360 -26.059 4.070 93 3HG1 VAL 3 3HG1 VAL 3 33.973 -26.334 2.422 94 1HG2 VAL 3 1HG2 VAL 3 34.284 -22.700 2.673 95 2HG2 VAL 3 2HG2 VAL 3 33.138 -24.003 2.276 96 3HG2 VAL 3 3HG2 VAL 3 33.199 -23.346 3.929 97 H VAL 4 HN VAL 4 37.864 -23.813 5.687 98 HA VAL 4 HA VAL 4 37.724 -21.003 4.838 99 HB VAL 4 HB VAL 4 39.117 -20.504 6.831 100 1HG1 VAL 4 1HG1 VAL 4 36.920 -21.476 8.340 101 2HG1 VAL 4 2HG1 VAL 4 37.152 -19.848 7.658 102 3HG1 VAL 4 3HG1 VAL 4 36.304 -21.097 6.714 103 1HG2 VAL 4 1HG2 VAL 4 39.045 -22.204 8.705 104 2HG2 VAL 4 2HG2 VAL 4 38.524 -23.401 7.495 105 3HG2 VAL 4 3HG2 VAL 4 40.113 -22.611 7.341 106 H SER 5 HN SER 5 39.689 -20.085 4.040 107 HA SER 5 HA SER 5 42.054 -21.587 4.006 108 1HB SER 5 2HB SER 5 40.223 -21.764 1.630 109 2HB SER 5 3HB SER 5 41.936 -21.592 1.308 110 HG SER 5 HG SER 5 40.577 -23.703 2.717 111 H GLY 6 HN GLY 6 43.823 -20.255 3.350 112 1HA GLY 6 1HA GLY 6 43.240 -17.733 2.010 113 2HA GLY 6 2HA GLY 6 43.811 -17.624 3.662 114 H GLN 7 HN GLN 7 44.960 -17.126 0.739 115 HA GLN 7 HA GLN 7 47.407 -18.651 1.171 116 1HB GLN 7 2HB GLN 7 47.863 -18.332 -1.228 117 2HB GLN 7 3HB GLN 7 46.296 -19.082 -0.997 118 1HG GLN 7 2HG GLN 7 46.079 -16.151 -0.988 119 2HG GLN 7 3HG GLN 7 46.844 -16.723 -2.456 120 1HE2 GLN 7 1HE2 GLN 7 44.631 -15.608 -2.990 121 2HE2 GLN 7 2HE2 GLN 7 43.304 -16.688 -3.262 122 H LYS 8 HN LYS 8 49.454 -17.409 0.314 123 HA LYS 8 HA LYS 8 49.325 -14.754 1.514 124 1HB LYS 8 2HB LYS 8 51.439 -16.831 1.157 125 2HB LYS 8 3HB LYS 8 51.949 -15.155 1.162 126 1HG LYS 8 2HG LYS 8 52.036 -15.813 3.453 127 2HG LYS 8 3HG LYS 8 50.565 -14.871 3.323 128 1HD LYS 8 2HD LYS 8 49.321 -17.101 2.930 129 2HD LYS 8 3HD LYS 8 50.806 -17.909 3.392 130 1HE LYS 8 2HE LYS 8 49.465 -15.816 5.162 131 2HE LYS 8 3HE LYS 8 49.087 -17.524 5.273 132 1HZ LYS 8 1HZ LYS 8 50.770 -17.350 6.752 133 2HZ LYS 8 2HZ LYS 8 51.659 -17.702 5.428 134 3HZ LYS 8 3HZ LYS 8 51.551 -16.159 5.953 135 H GLN 9 HN GLN 9 49.285 -12.953 0.282 136 HA GLN 9 HA GLN 9 50.792 -12.744 -2.054 137 1HB GLN 9 2HB GLN 9 48.971 -12.562 -3.727 138 2HB GLN 9 3HB GLN 9 49.054 -14.175 -3.045 139 1HG GLN 9 2HG GLN 9 47.045 -13.954 -1.897 140 2HG GLN 9 3HG GLN 9 47.258 -12.236 -1.626 141 1HE2 GLN 9 1HE2 GLN 9 46.415 -14.704 -3.980 142 2HE2 GLN 9 2HE2 GLN 9 45.494 -13.706 -5.056 143 H ASP 10 HN ASP 10 50.885 -10.545 -2.779 144 HA ASP 10 HA ASP 10 49.101 -8.742 -1.364 145 1HB ASP 10 2HB ASP 10 52.121 -8.795 -1.353 146 2HB ASP 10 3HB ASP 10 51.328 -7.233 -1.326 147 H ARG 11 HN ARG 11 48.187 -7.348 -2.885 148 HA ARG 11 HA ARG 11 49.127 -7.428 -5.533 149 1HB ARG 11 2HB ARG 11 46.855 -6.212 -4.036 150 2HB ARG 11 3HB ARG 11 47.353 -5.285 -5.437 151 1HG ARG 11 2HG ARG 11 46.997 -7.154 -6.929 152 2HG ARG 11 3HG ARG 11 46.867 -8.288 -5.599 153 1HD ARG 11 2HD ARG 11 44.632 -7.912 -5.437 154 2HD ARG 11 3HD ARG 11 44.900 -6.195 -5.206 155 HE ARG 11 HE ARG 11 45.148 -7.111 -7.997 156 1HH1 ARG 11 2HH2 ARG 11 43.021 -5.788 -5.526 157 2HH1 ARG 11 1HH2 ARG 11 41.882 -5.151 -6.666 158 1HH2 ARG 11 2HH1 ARG 11 43.647 -6.270 -9.502 159 2HH2 ARG 11 1HH1 ARG 11 42.242 -5.427 -8.943 160 H GLN 12 HN GLN 12 48.808 -4.749 -3.078 161 HA GLN 12 HA GLN 12 49.821 -2.839 -2.858 162 1HB GLN 12 2HB GLN 12 51.918 -4.790 -3.385 163 2HB GLN 12 3HB GLN 12 52.415 -3.213 -3.967 164 1HG GLN 12 2HG GLN 12 51.264 -3.674 -1.177 165 2HG GLN 12 3HG GLN 12 52.982 -3.706 -1.521 166 1HE2 GLN 12 1HE2 GLN 12 54.061 -1.840 -2.156 167 2HE2 GLN 12 2HE2 GLN 12 53.423 -0.250 -1.898 168 H GLY 13 HN GLY 13 48.711 -1.425 -4.220 169 1HA GLY 13 1HA GLY 13 49.115 0.253 -5.853 170 2HA GLY 13 2HA GLY 13 50.011 -0.905 -6.816 171 H GLY 14 HN GLY 14 47.796 0.713 -7.771 172 1HA GLY 14 1HA GLY 14 46.419 -0.490 -9.508 173 2HA GLY 14 2HA GLY 14 45.693 -1.330 -8.152 174 H GLU 15 HN GLU 15 45.942 1.737 -9.907 175 HA GLU 15 HA GLU 15 43.461 2.531 -8.735 176 1HB GLU 15 2HB GLU 15 44.227 4.726 -7.954 177 2HB GLU 15 3HB GLU 15 45.103 3.460 -7.118 178 1HG GLU 15 2HG GLU 15 46.997 4.552 -7.753 179 2HG GLU 15 3HG GLU 15 46.711 3.889 -9.350 180 H ARG 16 HN ARG 16 42.279 3.933 -10.115 181 HA ARG 16 HA ARG 16 43.724 4.807 -12.473 182 1HB ARG 16 2HB ARG 16 41.920 2.644 -12.468 183 2HB ARG 16 3HB ARG 16 40.943 3.980 -13.043 184 1HG ARG 16 2HG ARG 16 41.974 3.966 -15.066 185 2HG ARG 16 3HG ARG 16 43.559 4.070 -14.323 186 1HD ARG 16 2HD ARG 16 42.412 1.395 -13.944 187 2HD ARG 16 3HD ARG 16 42.444 1.820 -15.644 188 HE ARG 16 HE ARG 16 44.811 1.866 -15.593 189 1HH1 ARG 16 2HH2 ARG 16 43.512 1.526 -12.341 190 2HH1 ARG 16 1HH2 ARG 16 45.041 1.126 -11.633 191 1HH2 ARG 16 2HH1 ARG 16 46.829 1.338 -14.661 192 2HH2 ARG 16 1HH1 ARG 16 46.941 1.018 -12.963 193 H ARG 17 HN ARG 17 43.183 6.910 -13.099 194 HA ARG 17 HA ARG 17 41.210 8.190 -11.440 195 1HB ARG 17 2HB ARG 17 42.174 10.311 -12.427 196 2HB ARG 17 3HB ARG 17 43.369 9.322 -11.613 197 1HG ARG 17 2HG ARG 17 43.028 8.663 -14.492 198 2HG ARG 17 3HG ARG 17 43.600 10.294 -14.204 199 1HD ARG 17 2HD ARG 17 44.889 7.969 -12.739 200 2HD ARG 17 3HD ARG 17 45.345 8.312 -14.395 201 HE ARG 17 HE ARG 17 45.548 10.792 -13.229 202 1HH1 ARG 17 2HH2 ARG 17 46.802 7.631 -12.323 203 2HH1 ARG 17 1HH2 ARG 17 48.199 8.273 -11.526 204 1HH2 ARG 17 2HH1 ARG 17 47.390 11.639 -12.178 205 2HH2 ARG 17 1HH1 ARG 17 48.536 10.568 -11.442 206 H ARG 18 HN ARG 18 39.663 6.689 -12.905 207 HA ARG 18 HA ARG 18 38.172 6.509 -14.465 208 1HB ARG 18 2HB ARG 18 38.315 9.556 -14.303 209 2HB ARG 18 3HB ARG 18 37.097 8.731 -15.255 210 1HG ARG 18 2HG ARG 18 36.407 7.461 -13.163 211 2HG ARG 18 3HG ARG 18 37.539 8.436 -12.246 212 1HD ARG 18 2HD ARG 18 35.510 9.847 -13.989 213 2HD ARG 18 3HD ARG 18 34.969 9.157 -12.472 214 HE ARG 18 HE ARG 18 36.262 10.743 -11.282 215 1HH1 ARG 18 2HH2 ARG 18 36.971 10.902 -14.726 216 2HH1 ARG 18 1HH2 ARG 18 37.844 12.393 -14.607 217 1HH2 ARG 18 2HH1 ARG 18 37.414 12.710 -11.125 218 2HH2 ARG 18 1HH1 ARG 18 38.099 13.428 -12.545 219 H SER 19 HN SER 19 40.576 5.961 -15.579 220 HA SER 19 HA SER 19 41.654 7.478 -17.485 221 1HB SER 19 2HB SER 19 41.499 4.645 -16.887 222 2HB SER 19 3HB SER 19 41.457 4.859 -18.625 223 HG SER 19 HG SER 19 43.644 4.690 -17.769 224 H GLN 20 HN GLN 20 40.479 8.781 -18.882 225 HA GLN 20 HA GLN 20 38.853 9.402 -20.235 226 1HB GLN 20 2HB GLN 20 40.380 7.186 -21.474 227 2HB GLN 20 3HB GLN 20 38.841 7.493 -22.256 228 1HG GLN 20 2HG GLN 20 40.051 10.049 -21.699 229 2HG GLN 20 3HG GLN 20 41.281 9.035 -22.426 230 1HE2 GLN 20 1HE2 GLN 20 41.091 8.324 -24.508 231 2HE2 GLN 20 2HE2 GLN 20 39.910 8.910 -25.632 232 H LEU 21 HN LEU 21 37.508 8.379 -18.149 233 HA LEU 21 HA LEU 21 35.882 6.153 -18.812 234 1HB LEU 21 2HB LEU 21 36.580 7.276 -16.520 235 2HB LEU 21 3HB LEU 21 35.096 8.176 -16.764 236 HG LEU 21 HG LEU 21 35.479 5.240 -16.275 237 1HD1 LEU 21 1HD1 LEU 21 34.089 7.529 -14.990 238 2HD1 LEU 21 2HD1 LEU 21 33.292 5.941 -14.892 239 3HD1 LEU 21 3HD1 LEU 21 34.946 6.145 -14.270 240 1HD2 LEU 21 1HD2 LEU 21 34.114 4.884 -18.070 241 2HD2 LEU 21 2HD2 LEU 21 32.887 5.187 -16.816 242 3HD2 LEU 21 3HD2 LEU 21 33.342 6.483 -17.948 243 H ASP 22 HN ASP 22 35.002 6.570 -20.897 244 HA ASP 22 HA ASP 22 33.803 8.881 -21.665 245 1HB ASP 22 2HB ASP 22 34.069 6.244 -22.644 246 2HB ASP 22 3HB ASP 22 32.337 6.502 -22.594 247 H ARG 23 HN ARG 23 31.500 9.542 -21.721 248 HA ARG 23 HA ARG 23 30.190 9.011 -19.323 249 1HB ARG 23 2HB ARG 23 29.448 10.453 -21.892 250 2HB ARG 23 3HB ARG 23 28.233 10.226 -20.648 251 1HG ARG 23 2HG ARG 23 30.961 11.495 -20.123 252 2HG ARG 23 3HG ARG 23 29.522 12.421 -20.501 253 1HD ARG 23 2HD ARG 23 29.212 10.420 -18.296 254 2HD ARG 23 3HD ARG 23 30.283 11.763 -17.946 255 HE ARG 23 HE ARG 23 27.919 12.825 -19.141 256 1HH1 ARG 23 2HH2 ARG 23 28.921 11.218 -16.175 257 2HH1 ARG 23 1HH2 ARG 23 27.682 11.948 -15.210 258 1HH2 ARG 23 2HH1 ARG 23 26.284 13.788 -17.869 259 2HH2 ARG 23 1HH1 ARG 23 26.171 13.420 -16.180 260 H ASP 24 HN ASP 24 30.495 7.127 -22.116 261 HA ASP 24 HA ASP 24 27.972 5.796 -21.513 262 1HB ASP 24 2HB ASP 24 28.031 5.029 -23.947 263 2HB ASP 24 3HB ASP 24 27.703 6.734 -23.706 264 H GLN 25 HN GLN 25 30.823 5.479 -20.487 265 HA GLN 25 HA GLN 25 31.325 2.809 -21.551 266 1HB GLN 25 2HB GLN 25 33.098 4.713 -21.838 267 2HB GLN 25 3HB GLN 25 33.406 4.497 -20.126 268 1HG GLN 25 2HG GLN 25 33.543 1.906 -20.813 269 2HG GLN 25 3HG GLN 25 33.886 2.567 -22.399 270 1HE2 GLN 25 1HE2 GLN 25 35.977 1.833 -22.418 271 2HE2 GLN 25 2HE2 GLN 25 37.250 2.519 -21.462 272 H CYS 26 HN CYS 26 30.880 1.163 -20.154 273 HA CYS 26 HA CYS 26 29.949 1.615 -17.597 274 1HB CYS 26 2HB CYS 26 29.430 -0.407 -18.873 275 2HB CYS 26 3HB CYS 26 31.102 -0.926 -18.793 276 H ALA 27 HN ALA 27 30.962 1.756 -15.579 277 HA ALA 27 HA ALA 27 33.887 1.773 -15.659 278 1HB ALA 27 1HB ALA 27 31.979 2.878 -13.561 279 2HB ALA 27 2HB ALA 27 33.729 3.176 -13.684 280 3HB ALA 27 3HB ALA 27 32.627 3.819 -14.925 281 H TYR 28 HN TYR 28 32.323 -0.730 -15.682 282 HA TYR 28 HA TYR 28 33.229 -1.765 -13.083 283 1HB TYR 28 2HB TYR 28 30.645 -1.452 -13.575 284 2HB TYR 28 3HB TYR 28 30.842 -2.717 -14.771 285 HD1 TYR 28 HD1 TYR 28 30.470 -1.961 -11.245 286 HD2 TYR 28 HD2 TYR 28 31.524 -5.030 -14.032 287 HE1 TYR 28 HE1 TYR 28 30.117 -3.724 -9.448 288 HE2 TYR 28 HE2 TYR 28 31.168 -6.782 -12.225 289 HH TYR 28 HH TYR 28 30.494 -7.172 -10.207 290 H CYS 29 HN CYS 29 31.982 -2.918 -16.305 291 HA CYS 29 HA CYS 29 33.955 -5.033 -16.200 292 1HB CYS 29 2HB CYS 29 32.773 -5.916 -18.189 293 2HB CYS 29 3HB CYS 29 31.712 -5.698 -16.811 294 H LYS 30 HN LYS 30 33.142 -1.976 -17.852 295 HA LYS 30 HA LYS 30 34.706 -0.615 -18.817 296 1HB LYS 30 2HB LYS 30 36.473 -2.402 -18.063 297 2HB LYS 30 3HB LYS 30 36.384 -2.937 -19.729 298 1HG LYS 30 2HG LYS 30 37.754 -1.241 -20.340 299 2HG LYS 30 3HG LYS 30 36.542 -0.084 -19.825 300 1HD LYS 30 2HD LYS 30 38.343 -1.376 -17.757 301 2HD LYS 30 3HD LYS 30 38.956 -0.050 -18.726 302 1HE LYS 30 2HE LYS 30 37.972 1.356 -17.235 303 2HE LYS 30 3HE LYS 30 36.431 0.873 -17.917 304 1HZ LYS 30 1HZ LYS 30 37.588 -0.900 -15.953 305 2HZ LYS 30 2HZ LYS 30 37.018 0.529 -15.402 306 3HZ LYS 30 3HZ LYS 30 36.025 -0.495 -16.198 307 H GLU 31 HN GLU 31 32.265 -2.071 -19.724 308 HA GLU 31 HA GLU 31 32.877 -2.159 -22.572 309 1HB GLU 31 2HB GLU 31 31.593 -4.053 -21.012 310 2HB GLU 31 3HB GLU 31 30.233 -3.172 -21.681 311 1HG GLU 31 2HG GLU 31 30.780 -4.980 -23.214 312 2HG GLU 31 3HG GLU 31 31.215 -3.468 -23.987 313 H LYS 32 HN LYS 32 31.986 -0.627 -23.920 314 HA LYS 32 HA LYS 32 30.416 1.438 -22.655 315 1HB LYS 32 2HB LYS 32 30.819 2.694 -24.677 316 2HB LYS 32 3HB LYS 32 32.324 1.994 -24.113 317 1HG LYS 32 2HG LYS 32 32.147 0.166 -25.763 318 2HG LYS 32 3HG LYS 32 30.567 0.730 -26.268 319 1HD LYS 32 2HD LYS 32 31.591 2.040 -27.809 320 2HD LYS 32 3HD LYS 32 32.228 3.009 -26.495 321 1HE LYS 32 2HE LYS 32 33.884 0.688 -26.607 322 2HE LYS 32 3HE LYS 32 33.642 1.174 -28.273 323 1HZ LYS 32 1HZ LYS 32 35.252 2.610 -27.801 324 2HZ LYS 32 2HZ LYS 32 34.094 3.509 -27.082 325 3HZ LYS 32 3HZ LYS 32 35.043 2.529 -26.184 326 H GLY 33 HN GLY 33 28.301 2.080 -23.295 327 1HA GLY 33 1HA GLY 33 26.517 1.700 -24.958 328 2HA GLY 33 2HA GLY 33 26.840 -0.014 -24.793 329 H HIS 34 HN HIS 34 27.414 0.305 -21.807 330 HA HIS 34 HA HIS 34 24.727 0.965 -20.889 331 1HB HIS 34 2HB HIS 34 24.486 -1.069 -19.673 332 2HB HIS 34 3HB HIS 34 24.850 -1.480 -21.336 333 HD1 HIS 34 HD1 HIS 34 27.033 -2.762 -21.816 334 HD2 HIS 34 HD2 HIS 34 26.596 -1.622 -17.802 335 HE1 HIS 34 HE1 HIS 34 28.848 -4.000 -20.519 336 H TRP 35 HN TRP 35 24.663 1.213 -18.449 337 HA TRP 35 HA TRP 35 27.154 2.487 -17.624 338 1HB TRP 35 2HB TRP 35 24.273 2.817 -16.978 339 2HB TRP 35 3HB TRP 35 25.416 3.127 -15.685 340 HD1 TRP 35 HD1 TRP 35 25.990 4.089 -19.417 341 HE1 TRP 35 HE1 TRP 35 26.320 6.695 -19.667 342 HE3 TRP 35 HE3 TRP 35 25.048 5.204 -14.547 343 HZ2 TRP 35 HZ2 TRP 35 26.153 8.882 -17.841 344 HZ3 TRP 35 HZ3 TRP 35 25.153 7.599 -13.862 345 HH2 TRP 35 HH2 TRP 35 25.683 9.407 -15.419 346 H ALA 36 HN ALA 36 27.913 2.088 -15.354 347 HA ALA 36 HA ALA 36 28.206 -0.634 -14.861 348 1HB ALA 36 1HB ALA 36 29.221 0.149 -12.727 349 2HB ALA 36 2HB ALA 36 29.805 1.074 -14.132 350 3HB ALA 36 3HB ALA 36 28.586 1.781 -13.044 351 H LYS 37 HN LYS 37 25.821 1.778 -13.738 352 HA LYS 37 HA LYS 37 24.782 0.211 -11.645 353 1HB LYS 37 2HB LYS 37 24.006 2.677 -13.121 354 2HB LYS 37 3HB LYS 37 22.722 1.826 -12.287 355 1HG LYS 37 2HG LYS 37 23.557 3.298 -10.630 356 2HG LYS 37 3HG LYS 37 24.324 1.774 -10.231 357 1HD LYS 37 2HD LYS 37 26.332 2.527 -11.639 358 2HD LYS 37 3HD LYS 37 25.571 4.101 -11.761 359 1HE LYS 37 2HE LYS 37 25.524 4.238 -9.237 360 2HE LYS 37 3HE LYS 37 26.368 2.703 -9.162 361 1HZ LYS 37 1HZ LYS 37 28.197 3.902 -9.312 362 2HZ LYS 37 2HZ LYS 37 27.837 4.204 -10.875 363 3HZ LYS 37 3HZ LYS 37 27.402 5.270 -9.718 364 H ASP 38 HN ASP 38 24.777 -0.227 -15.030 365 HA ASP 38 HA ASP 38 22.524 -2.046 -14.722 366 1HB ASP 38 2HB ASP 38 22.466 0.211 -16.306 367 2HB ASP 38 3HB ASP 38 23.077 -0.966 -17.451 368 H CYS 39 HN CYS 39 25.522 -2.353 -14.470 369 HA CYS 39 HA CYS 39 26.568 -3.426 -16.832 370 1HB CYS 39 2HB CYS 39 27.933 -2.615 -14.916 371 2HB CYS 39 3HB CYS 39 27.405 -3.990 -13.968 372 HA PRO 40 HA PRO 40 24.468 -7.264 -16.691 373 1HB PRO 40 2HB PRO 40 25.745 -8.512 -18.760 374 2HB PRO 40 3HB PRO 40 24.411 -7.400 -18.988 375 1HG PRO 40 2HG PRO 40 27.295 -6.959 -19.466 376 2HG PRO 40 3HG PRO 40 25.929 -6.043 -20.073 377 1HD PRO 40 2HD PRO 40 27.688 -5.289 -17.936 378 2HD PRO 40 3HD PRO 40 26.255 -4.431 -18.466 379 H LYS 41 HN LYS 41 27.460 -6.679 -15.600 380 HA LYS 41 HA LYS 41 28.023 -9.505 -15.121 381 1HB LYS 41 2HB LYS 41 29.636 -7.228 -15.698 382 2HB LYS 41 3HB LYS 41 30.033 -7.747 -14.072 383 1HG LYS 41 2HG LYS 41 29.940 -10.186 -15.278 384 2HG LYS 41 3HG LYS 41 30.368 -9.212 -16.671 385 1HD LYS 41 2HD LYS 41 32.520 -9.272 -15.956 386 2HD LYS 41 3HD LYS 41 32.045 -8.232 -14.627 387 1HE LYS 41 2HE LYS 41 33.160 -10.244 -13.746 388 2HE LYS 41 3HE LYS 41 31.480 -10.239 -13.249 389 1HZ LYS 41 1HZ LYS 41 30.963 -11.817 -14.872 390 2HZ LYS 41 2HZ LYS 41 32.382 -11.641 -15.659 391 3HZ LYS 41 3HZ LYS 41 32.346 -12.358 -14.192 392 H LYS 42 HN LYS 42 26.665 -6.647 -13.673 393 HA LYS 42 HA LYS 42 27.283 -7.343 -10.982 394 1HB LYS 42 2HB LYS 42 25.741 -5.250 -12.409 395 2HB LYS 42 3HB LYS 42 25.169 -5.642 -10.800 396 1HG LYS 42 2HG LYS 42 27.849 -5.530 -10.292 397 2HG LYS 42 3HG LYS 42 27.773 -4.419 -11.646 398 1HD LYS 42 2HD LYS 42 25.677 -4.077 -9.525 399 2HD LYS 42 3HD LYS 42 27.316 -3.657 -9.071 400 1HE LYS 42 2HE LYS 42 27.452 -2.200 -11.155 401 2HE LYS 42 3HE LYS 42 25.757 -2.536 -11.448 402 1HZ LYS 42 1HZ LYS 42 26.605 -0.523 -9.985 403 2HZ LYS 42 2HZ LYS 42 25.145 -1.221 -9.766 404 3HZ LYS 42 3HZ LYS 42 26.398 -1.624 -8.798 405 HA PRO 43 HA PRO 43 24.209 -10.455 -10.845 406 1HB PRO 43 2HB PRO 43 24.938 -11.524 -8.437 407 2HB PRO 43 3HB PRO 43 25.662 -12.007 -9.958 408 1HG PRO 43 2HG PRO 43 26.790 -10.293 -7.830 409 2HG PRO 43 3HG PRO 43 27.625 -11.124 -9.129 410 1HD PRO 43 2HD PRO 43 27.013 -8.324 -8.997 411 2HD PRO 43 3HD PRO 43 27.742 -9.176 -10.343 412 H ARG 44 HN ARG 44 22.237 -9.530 -10.749 413 HA ARG 44 HA ARG 44 21.672 -8.271 -8.202 414 1HB ARG 44 2HB ARG 44 19.792 -7.180 -9.352 415 2HB ARG 44 3HB ARG 44 21.245 -6.965 -10.307 416 1HG ARG 44 2HG ARG 44 20.339 -9.318 -11.376 417 2HG ARG 44 3HG ARG 44 18.811 -8.609 -10.892 418 1HD ARG 44 2HD ARG 44 19.233 -6.598 -12.216 419 2HD ARG 44 3HD ARG 44 20.888 -7.083 -12.531 420 HE ARG 44 HE ARG 44 20.131 -8.593 -14.175 421 1HH1 ARG 44 2HH2 ARG 44 17.407 -7.397 -12.297 422 2HH1 ARG 44 1HH2 ARG 44 16.215 -8.059 -13.365 423 1HH2 ARG 44 2HH1 ARG 44 18.559 -9.466 -15.586 424 2HH2 ARG 44 1HH1 ARG 44 16.875 -9.244 -15.248 425 H GLY 45 HN GLY 45 20.453 -9.391 -6.709 426 1HA GLY 45 1HA GLY 45 18.416 -11.264 -7.682 427 2HA GLY 45 2HA GLY 45 19.678 -11.879 -6.635 428 HA PRO 46 HA PRO 46 18.060 -13.045 -6.045 429 1HB PRO 46 2HB PRO 46 15.642 -14.009 -5.214 430 2HB PRO 46 3HB PRO 46 17.101 -14.120 -4.249 431 1HG PRO 46 2HG PRO 46 14.790 -12.307 -3.913 432 2HG PRO 46 3HG PRO 46 16.032 -12.729 -2.751 433 1HD PRO 46 2HD PRO 46 15.836 -10.285 -4.241 434 2HD PRO 46 3HD PRO 46 17.138 -10.756 -3.167 435 H ARG 47 HN ARG 47 15.203 -11.024 -6.290 436 HA ARG 47 HA ARG 47 15.328 -11.039 -9.043 437 1HB ARG 47 2HB ARG 47 14.246 -13.449 -8.130 438 2HB ARG 47 3HB ARG 47 12.809 -12.491 -8.425 439 1HG ARG 47 2HG ARG 47 13.436 -12.095 -10.739 440 2HG ARG 47 3HG ARG 47 15.047 -12.734 -10.481 441 1HD ARG 47 2HD ARG 47 12.813 -14.604 -9.798 442 2HD ARG 47 3HD ARG 47 12.959 -14.206 -11.498 443 HE ARG 47 HE ARG 47 15.499 -14.937 -10.196 444 1HH1 ARG 47 2HH2 ARG 47 12.706 -16.081 -12.004 445 2HH1 ARG 47 1HH2 ARG 47 13.498 -17.512 -12.571 446 1HH2 ARG 47 2HH1 ARG 47 16.546 -16.825 -10.944 447 2HH2 ARG 47 1HH1 ARG 47 15.698 -17.939 -11.964 448 H GLY 48 HN GLY 48 14.803 -8.842 -8.970 449 1HA GLY 48 1HA GLY 48 12.690 -7.549 -9.237 450 2HA GLY 48 2HA GLY 48 12.254 -8.133 -7.643 451 HA PRO 49 HA PRO 49 14.335 -4.289 -6.739 452 1HB PRO 49 2HB PRO 49 12.766 -3.579 -4.616 453 2HB PRO 49 3HB PRO 49 12.418 -3.103 -6.266 454 1HG PRO 49 2HG PRO 49 11.096 -5.167 -4.613 455 2HG PRO 49 3HG PRO 49 10.513 -4.388 -6.072 456 1HD PRO 49 2HD PRO 49 11.598 -7.035 -5.855 457 2HD PRO 49 3HD PRO 49 11.123 -6.215 -7.329 458 H ARG 50 HN ARG 50 16.132 -3.935 -5.555 459 HA ARG 50 HA ARG 50 16.573 -6.010 -3.602 460 1HB ARG 50 2HB ARG 50 18.950 -5.203 -3.664 461 2HB ARG 50 3HB ARG 50 18.358 -5.631 -5.257 462 1HG ARG 50 2HG ARG 50 17.669 -2.892 -4.917 463 2HG ARG 50 3HG ARG 50 19.294 -3.041 -4.275 464 1HD ARG 50 2HD ARG 50 20.206 -3.704 -6.336 465 2HD ARG 50 3HD ARG 50 18.698 -4.387 -6.911 466 HE ARG 50 HE ARG 50 19.512 -1.557 -7.051 467 1HH1 ARG 50 2HH2 ARG 50 16.863 -3.860 -7.307 468 2HH1 ARG 50 1HH2 ARG 50 15.864 -2.800 -8.245 469 1HH2 ARG 50 2HH1 ARG 50 18.194 -0.159 -8.289 470 2HH2 ARG 50 1HH1 ARG 50 16.625 -0.681 -8.807 471 HA PRO 51 HA PRO 51 16.101 -3.220 -0.282 472 1HB PRO 51 2HB PRO 51 17.534 -4.467 1.683 473 2HB PRO 51 3HB PRO 51 15.905 -4.936 1.239 474 1HG PRO 51 2HG PRO 51 18.458 -6.288 0.615 475 2HG PRO 51 3HG PRO 51 16.832 -6.936 0.560 476 1HD PRO 51 2HD PRO 51 18.431 -6.123 -1.677 477 2HD PRO 51 3HD PRO 51 16.765 -6.663 -1.721 478 H GLN 52 HN GLN 52 19.451 -4.318 -0.526 479 HA GLN 52 HA GLN 52 20.359 -1.748 -1.032 480 1HB GLN 52 2HB GLN 52 19.719 -1.952 1.633 481 2HB GLN 52 3HB GLN 52 21.396 -2.459 1.670 482 1HG GLN 52 2HG GLN 52 22.136 -0.338 1.318 483 2HG GLN 52 3HG GLN 52 21.090 -0.132 -0.073 484 1HE2 GLN 52 1HE2 GLN 52 20.975 2.062 0.799 485 2HE2 GLN 52 2HE2 GLN 52 19.773 2.450 1.984 486 H THR 53 HN THR 53 22.849 -1.680 -0.981 487 HA THR 53 HA THR 53 24.043 -4.343 -0.896 488 HB THR 53 HB THR 53 23.223 -4.012 -3.234 489 HG1 THR 53 HG1 THR 53 25.443 -4.902 -2.544 490 1HG2 THR 53 1HG2 THR 53 23.597 -1.372 -3.020 491 2HG2 THR 53 2HG2 THR 53 25.249 -1.781 -3.541 492 3HG2 THR 53 3HG2 THR 53 23.862 -2.184 -4.581 493 H SER 54 HN SER 54 24.624 -3.009 1.166 494 HA SER 54 HA SER 54 27.302 -2.282 0.802 495 1HB SER 54 2HB SER 54 25.337 -0.129 0.654 496 2HB SER 54 3HB SER 54 26.379 0.101 2.044 497 HG SER 54 HG SER 54 28.116 0.409 0.765 498 H LEU 55 HN LEU 55 28.407 -2.421 2.806 499 HA LEU 55 HA LEU 55 26.804 -3.438 4.969 500 1HB LEU 55 2HB LEU 55 28.970 -4.427 4.181 501 2HB LEU 55 3HB LEU 55 29.790 -3.016 4.822 502 HG LEU 55 HG LEU 55 28.143 -4.053 6.905 503 1HD1 LEU 55 1HD1 LEU 55 29.533 -6.149 5.275 504 2HD1 LEU 55 2HD1 LEU 55 29.470 -6.312 7.047 505 3HD1 LEU 55 3HD1 LEU 55 27.961 -6.202 6.109 506 1HD2 LEU 55 1HD2 LEU 55 30.253 -4.286 8.082 507 2HD2 LEU 55 2HD2 LEU 55 31.151 -4.158 6.551 508 3HD2 LEU 55 3HD2 LEU 55 30.226 -2.764 7.159 509 H LEU 56 HN LEU 56 29.336 -0.839 4.677 510 HA LEU 56 HA LEU 56 27.926 0.536 6.851 511 1HB LEU 56 2HB LEU 56 30.560 -0.233 6.664 512 2HB LEU 56 3HB LEU 56 30.624 1.443 6.156 513 HG LEU 56 HG LEU 56 31.054 1.229 8.541 514 1HD1 LEU 56 1HD1 LEU 56 29.971 3.128 9.081 515 2HD1 LEU 56 2HD1 LEU 56 29.463 3.080 7.376 516 3HD1 LEU 56 3HD1 LEU 56 28.374 2.475 8.647 517 1HD2 LEU 56 1HD2 LEU 56 30.039 -0.374 9.697 518 2HD2 LEU 56 2HD2 LEU 56 28.578 0.643 9.701 519 3HD2 LEU 56 3HD2 LEU 56 28.801 -0.590 8.436 Start of MODEL 8 1 1H5* C 504 1H5* C 504 37.070 -4.882 -2.702 2 2H5* C 504 2H5* C 504 37.483 -5.516 -4.294 3 H4* C 504 H4* C 504 35.716 -6.664 -2.605 4 H3* C 504 H3* C 504 35.897 -6.783 -5.611 5 H2* C 504 H2* C 504 33.940 -8.005 -5.701 6 2HO* C 504 2HO* C 504 34.993 -9.486 -4.188 7 H1* C 504 H1* C 504 33.096 -6.845 -3.088 8 1H4 C 504 1H4 C 504 28.009 -5.479 -6.645 9 2H4 C 504 2H4 C 504 29.024 -4.820 -7.907 10 H5 C 504 H5 C 504 31.384 -4.799 -7.820 11 H6 C 504 H6 C 504 33.371 -5.410 -6.487 12 1H5* C 505 1H5* C 505 39.596 -7.676 -7.107 13 2H5* C 505 2H5* C 505 38.563 -6.422 -7.793 14 H4* C 505 H4* C 505 39.423 -8.646 -9.109 15 H3* C 505 H3* C 505 37.118 -6.785 -9.592 16 H2* C 505 H2* C 505 36.386 -8.125 -11.409 17 2HO* C 505 2HO* C 505 38.647 -8.497 -11.989 18 H1* C 505 H1* C 505 36.651 -10.524 -9.942 19 1H4 C 505 1H4 C 505 30.446 -9.082 -9.522 20 2H4 C 505 2H4 C 505 30.809 -7.923 -8.263 21 H5 C 505 H5 C 505 32.999 -7.369 -7.576 22 H6 C 505 H6 C 505 35.406 -7.795 -7.932 23 1H5* U 506 1H5* U 506 39.258 -2.984 -9.758 24 2H5* U 506 2H5* U 506 38.035 -2.952 -8.487 25 H4* U 506 H4* U 506 37.271 -1.983 -10.633 26 H3* U 506 H3* U 506 35.804 -4.398 -9.553 27 H2* U 506 H2* U 506 34.196 -4.101 -11.226 28 2HO* U 506 2HO* U 506 35.174 -1.676 -12.179 29 H1* U 506 H1* U 506 36.240 -3.153 -13.090 30 H3 U 506 H3 U 506 36.067 -6.727 -15.809 31 H5 U 506 H5 U 506 34.179 -8.100 -12.332 32 H6 U 506 H6 U 506 34.771 -5.964 -11.285 33 1H5* C 507 1H5* C 507 34.317 -0.134 -10.457 34 2H5* C 507 2H5* C 507 33.947 0.178 -8.761 35 H4* C 507 H4* C 507 32.778 1.449 -10.834 36 H3* C 507 H3* C 507 31.868 0.960 -8.025 37 H2* C 507 H2* C 507 29.748 1.931 -8.480 38 2HO* C 507 2HO* C 507 30.994 2.477 -11.019 39 H1* C 507 H1* C 507 29.360 0.447 -10.820 40 1H4 C 507 1H4 C 507 26.463 -2.839 -6.148 41 2H4 C 507 2H4 C 507 27.948 -3.734 -5.915 42 H5 C 507 H5 C 507 29.975 -3.228 -7.016 43 H6 C 507 H6 C 507 31.087 -1.724 -8.629 44 1H5* C 508 1H5* C 508 32.614 5.259 -5.500 45 2H5* C 508 2H5* C 508 31.718 6.496 -6.381 46 H4* C 508 H4* C 508 33.968 7.236 -5.738 47 H3* C 508 H3* C 508 33.317 7.052 -8.676 48 H2* C 508 H2* C 508 35.396 8.036 -9.180 49 2HO* C 508 2HO* C 508 36.275 9.365 -7.634 50 H1* C 508 H1* C 508 36.680 6.514 -7.071 51 1H4 C 508 1H4 C 508 38.993 3.413 -12.108 52 2H4 C 508 2H4 C 508 37.478 3.587 -12.965 53 H5 C 508 H5 C 508 35.575 4.662 -12.070 54 H6 C 508 H6 C 508 34.650 5.846 -10.110 55 1H5* G 509 1H5* G 509 33.376 10.492 -10.883 56 2H5* G 509 2H5* G 509 32.115 11.185 -9.864 57 H4* G 509 H4* G 509 31.414 11.390 -12.125 58 H3* G 509 H3* G 509 29.928 9.227 -10.630 59 H2* G 509 H2* G 509 28.475 9.015 -12.487 60 2HO* G 509 2HO* G 509 28.479 10.725 -14.025 61 H1* G 509 H1* G 509 30.675 9.191 -14.325 62 H8 G 509 H8 G 509 30.091 6.930 -11.270 63 H1 G 509 H1 G 509 29.866 3.984 -17.027 64 1H2 G 509 1H2 G 509 30.162 5.371 -18.523 65 2H2 G 509 2H2 G 509 30.432 7.080 -18.257 66 1H5* U 510 1H5* U 510 26.453 8.512 -11.308 67 2H5* U 510 2H5* U 510 26.292 10.269 -11.324 68 H4* U 510 H4* U 510 25.608 9.344 -8.711 69 H3* U 510 H3* U 510 24.605 7.562 -10.865 70 H2* U 510 H2* U 510 22.359 7.664 -10.097 71 2HO* U 510 2HO* U 510 22.002 8.632 -8.029 72 H1* U 510 H1* U 510 22.242 10.410 -10.007 73 H3 U 510 H3 U 510 20.067 9.061 -13.812 74 H5 U 510 H5 U 510 24.090 9.421 -14.916 75 H6 U 510 H6 U 510 24.613 9.721 -12.539 76 1H ALA 1 HN ALA 1 -2.192 26.439 -0.913 77 HA ALA 1 HA ALA 1 -0.658 25.103 1.147 78 1HB ALA 1 1HB ALA 1 -1.514 23.350 -1.115 79 2HB ALA 1 2HB ALA 1 -1.171 22.941 0.582 80 3HB ALA 1 3HB ALA 1 -2.726 23.687 0.144 81 H THR 2 HN THR 2 1.498 25.021 0.591 82 HA THR 2 HA THR 2 2.259 25.155 -2.191 83 HB THR 2 HB THR 2 2.605 27.470 -0.233 84 HG1 THR 2 HG1 THR 2 1.002 28.041 -1.654 85 1HG2 THR 2 1HG2 THR 2 4.231 28.463 -1.682 86 2HG2 THR 2 2HG2 THR 2 4.804 26.788 -1.499 87 3HG2 THR 2 3HG2 THR 2 3.929 27.272 -2.971 88 H VAL 3 HN VAL 3 3.423 23.295 -2.096 89 HA VAL 3 HA VAL 3 5.819 23.440 -0.465 90 HB VAL 3 HB VAL 3 4.055 22.296 0.883 91 1HG1 VAL 3 1HG1 VAL 3 3.244 21.125 -1.407 92 2HG1 VAL 3 2HG1 VAL 3 4.291 19.834 -0.769 93 3HG1 VAL 3 3HG1 VAL 3 2.930 20.440 0.206 94 1HG2 VAL 3 1HG2 VAL 3 6.571 20.850 0.041 95 2HG2 VAL 3 2HG2 VAL 3 6.267 21.809 1.510 96 3HG2 VAL 3 3HG2 VAL 3 5.507 20.212 1.317 97 H VAL 4 HN VAL 4 7.543 22.890 -1.704 98 HA VAL 4 HA VAL 4 7.526 20.728 -3.475 99 HB VAL 4 HB VAL 4 6.025 22.255 -4.737 100 1HG1 VAL 4 1HG1 VAL 4 6.532 24.386 -5.269 101 2HG1 VAL 4 2HG1 VAL 4 7.715 24.262 -3.943 102 3HG1 VAL 4 3HG1 VAL 4 8.233 23.999 -5.625 103 1HG2 VAL 4 1HG2 VAL 4 7.591 20.521 -5.771 104 2HG2 VAL 4 2HG2 VAL 4 6.987 21.801 -6.850 105 3HG2 VAL 4 3HG2 VAL 4 8.645 21.888 -6.207 106 H SER 5 HN SER 5 9.583 20.067 -3.156 107 HA SER 5 HA SER 5 11.644 22.079 -3.438 108 1HB SER 5 2HB SER 5 12.861 21.126 -1.449 109 2HB SER 5 3HB SER 5 11.378 21.962 -1.033 110 HG SER 5 HG SER 5 11.939 19.633 -0.161 111 H GLY 6 HN GLY 6 13.184 21.336 -4.860 112 1HA GLY 6 1HA GLY 6 13.033 18.625 -5.808 113 2HA GLY 6 2HA GLY 6 14.101 19.900 -6.360 114 H GLN 7 HN GLN 7 15.801 18.197 -6.388 115 HA GLN 7 HA GLN 7 17.265 18.304 -3.972 116 1HB GLN 7 2HB GLN 7 15.505 16.249 -3.929 117 2HB GLN 7 3HB GLN 7 16.794 15.463 -4.821 118 1HG GLN 7 2HG GLN 7 18.154 16.771 -2.738 119 2HG GLN 7 3HG GLN 7 16.680 16.214 -1.969 120 1HE2 GLN 7 1HE2 GLN 7 18.014 14.808 -0.741 121 2HE2 GLN 7 2HE2 GLN 7 18.561 13.293 -1.378 122 H LYS 8 HN LYS 8 19.342 18.620 -4.641 123 HA LYS 8 HA LYS 8 20.134 17.298 -7.141 124 1HB LYS 8 2HB LYS 8 21.390 19.239 -7.776 125 2HB LYS 8 3HB LYS 8 19.742 19.732 -7.441 126 1HG LYS 8 2HG LYS 8 20.646 20.200 -4.997 127 2HG LYS 8 3HG LYS 8 22.224 20.183 -5.759 128 1HD LYS 8 2HD LYS 8 21.909 22.303 -6.494 129 2HD LYS 8 3HD LYS 8 20.513 21.788 -7.419 130 1HE LYS 8 2HE LYS 8 19.672 23.466 -5.942 131 2HE LYS 8 3HE LYS 8 19.156 21.951 -5.228 132 1HZ LYS 8 1HZ LYS 8 21.479 22.228 -4.056 133 2HZ LYS 8 2HZ LYS 8 21.156 23.810 -4.303 134 3HZ LYS 8 3HZ LYS 8 20.114 22.888 -3.447 135 H GLN 9 HN GLN 9 22.453 16.766 -7.285 136 HA GLN 9 HA GLN 9 23.757 16.735 -4.696 137 1HB GLN 9 2HB GLN 9 22.786 14.378 -6.210 138 2HB GLN 9 3HB GLN 9 24.467 14.260 -5.728 139 1HG GLN 9 2HG GLN 9 23.817 13.740 -3.622 140 2HG GLN 9 3HG GLN 9 23.071 15.318 -3.468 141 1HE2 GLN 9 1HE2 GLN 9 22.614 11.956 -3.882 142 2HE2 GLN 9 2HE2 GLN 9 20.883 11.913 -3.936 143 H ASP 10 HN ASP 10 25.345 18.220 -5.316 144 HA ASP 10 HA ASP 10 27.135 17.218 -7.362 145 1HB ASP 10 2HB ASP 10 25.471 19.569 -7.592 146 2HB ASP 10 3HB ASP 10 27.133 20.105 -7.445 147 H ARG 11 HN ARG 11 29.384 17.979 -7.010 148 HA ARG 11 HA ARG 11 30.014 19.826 -5.049 149 1HB ARG 11 2HB ARG 11 30.959 18.330 -3.296 150 2HB ARG 11 3HB ARG 11 29.231 18.086 -3.461 151 1HG ARG 11 2HG ARG 11 29.483 15.929 -4.180 152 2HG ARG 11 3HG ARG 11 30.783 16.349 -5.278 153 1HD ARG 11 2HD ARG 11 31.874 14.973 -3.694 154 2HD ARG 11 3HD ARG 11 32.264 16.584 -3.127 155 HE ARG 11 HE ARG 11 29.853 15.913 -1.846 156 1HH1 ARG 11 2HH2 ARG 11 33.120 14.612 -1.979 157 2HH1 ARG 11 1HH2 ARG 11 33.053 13.937 -0.385 158 1HH2 ARG 11 2HH1 ARG 11 29.764 15.023 0.257 159 2HH2 ARG 11 1HH1 ARG 11 31.132 14.173 0.896 160 H GLN 12 HN GLN 12 32.494 19.753 -4.577 161 HA GLN 12 HA GLN 12 33.873 18.237 -6.633 162 1HB GLN 12 2HB GLN 12 33.326 20.890 -7.030 163 2HB GLN 12 3HB GLN 12 34.858 21.022 -6.189 164 1HG GLN 12 2HG GLN 12 35.511 20.850 -8.455 165 2HG GLN 12 3HG GLN 12 35.728 19.215 -7.860 166 1HE2 GLN 12 1HE2 GLN 12 35.535 18.432 -9.970 167 2HE2 GLN 12 2HE2 GLN 12 34.005 18.263 -10.766 168 H GLY 13 HN GLY 13 35.258 16.944 -5.501 169 1HA GLY 13 1HA GLY 13 37.107 18.172 -3.638 170 2HA GLY 13 2HA GLY 13 35.978 17.041 -2.918 171 H GLY 14 HN GLY 14 38.966 17.379 -4.557 172 1HA GLY 14 1HA GLY 14 40.533 15.853 -5.103 173 2HA GLY 14 2HA GLY 14 39.522 14.599 -4.415 174 H GLU 15 HN GLU 15 40.936 13.955 -6.679 175 HA GLU 15 HA GLU 15 38.938 13.095 -8.373 176 1HB GLU 15 2HB GLU 15 39.037 15.612 -8.985 177 2HB GLU 15 3HB GLU 15 40.599 15.270 -9.702 178 1HG GLU 15 2HG GLU 15 39.245 13.284 -10.900 179 2HG GLU 15 3HG GLU 15 37.866 14.311 -10.559 180 H ARG 16 HN ARG 16 39.741 11.438 -9.714 181 HA ARG 16 HA ARG 16 42.627 11.320 -9.943 182 1HB ARG 16 2HB ARG 16 40.855 9.440 -8.470 183 2HB ARG 16 3HB ARG 16 41.922 8.640 -9.607 184 1HG ARG 16 2HG ARG 16 43.423 10.680 -8.182 185 2HG ARG 16 3HG ARG 16 42.578 9.678 -7.019 186 1HD ARG 16 2HD ARG 16 43.904 8.185 -9.245 187 2HD ARG 16 3HD ARG 16 44.996 9.012 -8.152 188 HE ARG 16 HE ARG 16 43.231 6.744 -7.493 189 1HH1 ARG 16 2HH2 ARG 16 45.247 9.346 -6.247 190 2HH1 ARG 16 1HH2 ARG 16 45.463 8.606 -4.695 191 1HH2 ARG 16 2HH1 ARG 16 43.516 5.769 -5.446 192 2HH2 ARG 16 1HH1 ARG 16 44.473 6.559 -4.237 193 H ARG 17 HN ARG 17 43.369 10.154 -11.843 194 HA ARG 17 HA ARG 17 41.780 10.395 -14.029 195 1HB ARG 17 2HB ARG 17 44.357 9.078 -13.366 196 2HB ARG 17 3HB ARG 17 43.545 8.342 -14.733 197 1HG ARG 17 2HG ARG 17 43.238 10.782 -15.622 198 2HG ARG 17 3HG ARG 17 44.433 11.234 -14.423 199 1HD ARG 17 2HD ARG 17 46.007 9.505 -15.409 200 2HD ARG 17 3HD ARG 17 44.823 9.189 -16.662 201 HE ARG 17 HE ARG 17 46.507 11.593 -16.403 202 1HH1 ARG 17 2HH2 ARG 17 43.692 10.143 -17.936 203 2HH1 ARG 17 1HH2 ARG 17 43.681 11.257 -19.262 204 1HH2 ARG 17 2HH1 ARG 17 46.494 13.064 -18.151 205 2HH2 ARG 17 1HH1 ARG 17 45.285 12.931 -19.385 206 H ARG 18 HN ARG 18 40.244 9.096 -15.063 207 HA ARG 18 HA ARG 18 39.870 6.463 -13.875 208 1HB ARG 18 2HB ARG 18 37.421 6.738 -14.314 209 2HB ARG 18 3HB ARG 18 38.024 7.967 -13.220 210 1HG ARG 18 2HG ARG 18 38.414 9.137 -15.733 211 2HG ARG 18 3HG ARG 18 36.911 8.261 -15.945 212 1HD ARG 18 2HD ARG 18 35.774 9.526 -14.330 213 2HD ARG 18 3HD ARG 18 37.228 9.882 -13.422 214 HE ARG 18 HE ARG 18 37.680 11.708 -14.854 215 1HH1 ARG 18 2HH2 ARG 18 35.022 9.784 -16.122 216 2HH1 ARG 18 1HH2 ARG 18 34.565 10.963 -17.307 217 1HH2 ARG 18 2HH1 ARG 18 37.079 13.263 -16.418 218 2HH2 ARG 18 1HH1 ARG 18 35.743 12.955 -17.476 219 H SER 19 HN SER 19 41.594 6.402 -15.898 220 HA SER 19 HA SER 19 42.008 5.972 -18.016 221 1HB SER 19 2HB SER 19 40.693 3.888 -16.823 222 2HB SER 19 3HB SER 19 39.665 4.128 -18.221 223 HG SER 19 HG SER 19 41.943 4.193 -19.375 224 H GLN 20 HN GLN 20 39.955 4.882 -19.995 225 HA GLN 20 HA GLN 20 39.043 7.479 -20.842 226 1HB GLN 20 2HB GLN 20 39.698 4.900 -22.131 227 2HB GLN 20 3HB GLN 20 38.261 5.652 -22.795 228 1HG GLN 20 2HG GLN 20 40.201 6.461 -24.038 229 2HG GLN 20 3HG GLN 20 39.545 7.792 -23.106 230 1HE2 GLN 20 1HE2 GLN 20 42.235 5.833 -23.755 231 2HE2 GLN 20 2HE2 GLN 20 43.336 6.441 -22.565 232 H LEU 21 HN LEU 21 37.726 6.441 -18.514 233 HA LEU 21 HA LEU 21 35.384 5.047 -19.111 234 1HB LEU 21 2HB LEU 21 36.579 5.570 -16.871 235 2HB LEU 21 3HB LEU 21 35.631 7.043 -16.882 236 HG LEU 21 HG LEU 21 34.752 4.209 -16.523 237 1HD1 LEU 21 1HD1 LEU 21 34.162 6.862 -15.204 238 2HD1 LEU 21 2HD1 LEU 21 33.228 5.385 -14.861 239 3HD1 LEU 21 3HD1 LEU 21 34.975 5.432 -14.522 240 1HD2 LEU 21 1HD2 LEU 21 32.364 5.013 -16.945 241 2HD2 LEU 21 2HD2 LEU 21 33.099 6.356 -17.853 242 3HD2 LEU 21 3HD2 LEU 21 33.378 4.675 -18.369 243 H ASP 22 HN ASP 22 34.580 5.949 -21.103 244 HA ASP 22 HA ASP 22 34.020 8.629 -21.409 245 1HB ASP 22 2HB ASP 22 33.211 6.061 -22.696 246 2HB ASP 22 3HB ASP 22 32.086 7.381 -22.942 247 H ARG 23 HN ARG 23 31.686 9.558 -21.605 248 HA ARG 23 HA ARG 23 30.392 9.193 -19.177 249 1HB ARG 23 2HB ARG 23 30.412 11.224 -20.873 250 2HB ARG 23 3HB ARG 23 29.048 10.414 -21.616 251 1HG ARG 23 2HG ARG 23 28.317 12.096 -19.922 252 2HG ARG 23 3HG ARG 23 27.785 10.479 -19.505 253 1HD ARG 23 2HD ARG 23 29.068 10.412 -17.606 254 2HD ARG 23 3HD ARG 23 30.460 11.114 -18.406 255 HE ARG 23 HE ARG 23 28.704 13.250 -18.215 256 1HH1 ARG 23 2HH2 ARG 23 30.032 10.965 -15.891 257 2HH1 ARG 23 1HH2 ARG 23 29.964 12.078 -14.566 258 1HH2 ARG 23 2HH1 ARG 23 28.615 14.718 -16.467 259 2HH2 ARG 23 1HH1 ARG 23 29.153 14.228 -14.895 260 H ASP 24 HN ASP 24 30.425 7.240 -21.941 261 HA ASP 24 HA ASP 24 27.846 6.121 -21.184 262 1HB ASP 24 2HB ASP 24 28.945 6.818 -23.896 263 2HB ASP 24 3HB ASP 24 28.026 5.330 -23.779 264 H GLN 25 HN GLN 25 30.665 5.526 -20.336 265 HA GLN 25 HA GLN 25 30.908 2.876 -21.533 266 1HB GLN 25 2HB GLN 25 32.898 4.988 -21.049 267 2HB GLN 25 3HB GLN 25 33.379 3.462 -20.334 268 1HG GLN 25 2HG GLN 25 32.252 3.185 -23.068 269 2HG GLN 25 3HG GLN 25 33.710 4.155 -23.007 270 1HE2 GLN 25 1HE2 GLN 25 35.438 3.034 -23.431 271 2HE2 GLN 25 2HE2 GLN 25 35.794 1.412 -22.937 272 H CYS 26 HN CYS 26 30.657 1.154 -20.157 273 HA CYS 26 HA CYS 26 29.785 1.533 -17.571 274 1HB CYS 26 2HB CYS 26 29.302 -0.487 -18.863 275 2HB CYS 26 3HB CYS 26 30.992 -0.947 -18.839 276 H ALA 27 HN ALA 27 30.850 1.759 -15.599 277 HA ALA 27 HA ALA 27 33.771 1.821 -15.747 278 1HB ALA 27 1HB ALA 27 33.691 3.466 -14.132 279 2HB ALA 27 2HB ALA 27 32.105 3.734 -14.895 280 3HB ALA 27 3HB ALA 27 32.219 2.808 -13.379 281 H TYR 28 HN TYR 28 32.277 -0.715 -15.713 282 HA TYR 28 HA TYR 28 33.241 -1.699 -13.116 283 1HB TYR 28 2HB TYR 28 30.647 -1.463 -13.576 284 2HB TYR 28 3HB TYR 28 30.863 -2.726 -14.771 285 HD1 TYR 28 HD1 TYR 28 30.455 -1.978 -11.259 286 HD2 TYR 28 HD2 TYR 28 31.674 -5.011 -14.020 287 HE1 TYR 28 HE1 TYR 28 30.173 -3.746 -9.454 288 HE2 TYR 28 HE2 TYR 28 31.387 -6.768 -12.205 289 HH TYR 28 HH TYR 28 29.864 -6.010 -9.188 290 H CYS 29 HN CYS 29 31.998 -2.913 -16.317 291 HA CYS 29 HA CYS 29 34.075 -4.938 -16.220 292 1HB CYS 29 2HB CYS 29 32.859 -5.995 -18.071 293 2HB CYS 29 3HB CYS 29 31.810 -5.711 -16.696 294 H LYS 30 HN LYS 30 33.149 -1.891 -17.731 295 HA LYS 30 HA LYS 30 34.548 -0.511 -18.855 296 1HB LYS 30 2HB LYS 30 36.398 -2.329 -18.214 297 2HB LYS 30 3HB LYS 30 36.290 -2.690 -19.925 298 1HG LYS 30 2HG LYS 30 37.564 -0.875 -20.387 299 2HG LYS 30 3HG LYS 30 36.326 0.164 -19.714 300 1HD LYS 30 2HD LYS 30 37.928 -1.192 -17.629 301 2HD LYS 30 3HD LYS 30 38.905 -0.191 -18.685 302 1HE LYS 30 2HE LYS 30 36.343 1.053 -17.777 303 2HE LYS 30 3HE LYS 30 37.516 0.763 -16.509 304 1HZ LYS 30 1HZ LYS 30 39.130 1.979 -17.766 305 2HZ LYS 30 2HZ LYS 30 38.098 2.186 -19.014 306 3HZ LYS 30 3HZ LYS 30 37.798 2.905 -17.579 307 H GLU 31 HN GLU 31 32.146 -2.165 -19.620 308 HA GLU 31 HA GLU 31 32.599 -2.471 -22.456 309 1HB GLU 31 2HB GLU 31 30.274 -3.191 -20.628 310 2HB GLU 31 3HB GLU 31 30.177 -3.346 -22.371 311 1HG GLU 31 2HG GLU 31 32.542 -4.579 -20.948 312 2HG GLU 31 3HG GLU 31 30.991 -5.389 -20.842 313 H LYS 32 HN LYS 32 32.045 -0.913 -23.923 314 HA LYS 32 HA LYS 32 30.754 1.460 -22.925 315 1HB LYS 32 2HB LYS 32 32.692 1.720 -24.336 316 2HB LYS 32 3HB LYS 32 31.983 0.731 -25.596 317 1HG LYS 32 2HG LYS 32 30.003 2.541 -25.434 318 2HG LYS 32 3HG LYS 32 31.274 3.545 -24.766 319 1HD LYS 32 2HD LYS 32 32.343 3.762 -26.782 320 2HD LYS 32 3HD LYS 32 32.119 2.074 -27.195 321 1HE LYS 32 2HE LYS 32 30.606 2.852 -28.722 322 2HE LYS 32 3HE LYS 32 29.518 2.986 -27.354 323 1HZ LYS 32 1HZ LYS 32 29.692 5.038 -28.592 324 2HZ LYS 32 2HZ LYS 32 30.227 5.248 -27.063 325 3HZ LYS 32 3HZ LYS 32 31.295 5.131 -28.293 326 H GLY 33 HN GLY 33 28.617 1.899 -23.043 327 1HA GLY 33 1HA GLY 33 26.802 1.804 -24.861 328 2HA GLY 33 2HA GLY 33 26.960 0.071 -24.650 329 H HIS 34 HN HIS 34 27.343 -0.218 -21.888 330 HA HIS 34 HA HIS 34 24.835 0.905 -20.870 331 1HB HIS 34 2HB HIS 34 24.529 -1.089 -19.582 332 2HB HIS 34 3HB HIS 34 24.806 -1.541 -21.253 333 HD1 HIS 34 HD1 HIS 34 26.679 -3.175 -21.710 334 HD2 HIS 34 HD2 HIS 34 26.892 -1.506 -17.867 335 HE1 HIS 34 HE1 HIS 34 28.531 -4.433 -20.486 336 H TRP 35 HN TRP 35 24.814 1.131 -18.401 337 HA TRP 35 HA TRP 35 27.364 2.332 -17.633 338 1HB TRP 35 2HB TRP 35 24.509 2.817 -16.985 339 2HB TRP 35 3HB TRP 35 25.660 3.073 -15.688 340 HD1 TRP 35 HD1 TRP 35 26.119 4.012 -19.456 341 HE1 TRP 35 HE1 TRP 35 26.657 6.583 -19.707 342 HE3 TRP 35 HE3 TRP 35 25.652 5.128 -14.518 343 HZ2 TRP 35 HZ2 TRP 35 26.822 8.747 -17.855 344 HZ3 TRP 35 HZ3 TRP 35 26.018 7.494 -13.822 345 HH2 TRP 35 HH2 TRP 35 26.585 9.273 -15.400 346 H ALA 36 HN ALA 36 28.075 1.963 -15.321 347 HA ALA 36 HA ALA 36 28.300 -0.758 -14.794 348 1HB ALA 36 1HB ALA 36 28.649 1.588 -12.884 349 2HB ALA 36 2HB ALA 36 29.387 -0.025 -12.738 350 3HB ALA 36 3HB ALA 36 29.865 1.055 -14.069 351 H LYS 37 HN LYS 37 25.996 1.741 -13.645 352 HA LYS 37 HA LYS 37 24.863 0.141 -11.621 353 1HB LYS 37 2HB LYS 37 24.191 2.700 -13.007 354 2HB LYS 37 3HB LYS 37 22.905 1.887 -12.138 355 1HG LYS 37 2HG LYS 37 23.724 2.817 -10.237 356 2HG LYS 37 3HG LYS 37 25.086 1.724 -10.372 357 1HD LYS 37 2HD LYS 37 25.431 4.007 -12.171 358 2HD LYS 37 3HD LYS 37 25.142 4.559 -10.533 359 1HE LYS 37 2HE LYS 37 27.206 3.886 -9.844 360 2HE LYS 37 3HE LYS 37 26.997 2.291 -10.538 361 1HZ LYS 37 1HZ LYS 37 28.685 3.187 -11.768 362 2HZ LYS 37 2HZ LYS 37 27.407 3.512 -12.731 363 3HZ LYS 37 3HZ LYS 37 28.052 4.692 -11.806 364 H ASP 38 HN ASP 38 24.882 -0.178 -15.007 365 HA ASP 38 HA ASP 38 22.495 -1.836 -14.804 366 1HB ASP 38 2HB ASP 38 22.607 0.454 -16.305 367 2HB ASP 38 3HB ASP 38 23.233 -0.692 -17.475 368 H CYS 39 HN CYS 39 25.462 -2.363 -14.490 369 HA CYS 39 HA CYS 39 26.388 -3.532 -16.894 370 1HB CYS 39 2HB CYS 39 27.886 -2.658 -15.108 371 2HB CYS 39 3HB CYS 39 27.371 -3.958 -14.052 372 HA PRO 40 HA PRO 40 24.173 -7.275 -16.404 373 1HB PRO 40 2HB PRO 40 25.270 -8.678 -18.478 374 2HB PRO 40 3HB PRO 40 23.959 -7.532 -18.682 375 1HG PRO 40 2HG PRO 40 26.818 -7.220 -19.367 376 2HG PRO 40 3HG PRO 40 25.445 -6.291 -19.936 377 1HD PRO 40 2HD PRO 40 27.363 -5.485 -17.962 378 2HD PRO 40 3HD PRO 40 25.927 -4.607 -18.446 379 H LYS 41 HN LYS 41 27.246 -6.738 -15.539 380 HA LYS 41 HA LYS 41 27.828 -9.539 -15.017 381 1HB LYS 41 2HB LYS 41 29.620 -8.204 -15.950 382 2HB LYS 41 3HB LYS 41 29.458 -7.006 -14.681 383 1HG LYS 41 2HG LYS 41 30.530 -8.316 -13.106 384 2HG LYS 41 3HG LYS 41 29.855 -9.809 -13.726 385 1HD LYS 41 2HD LYS 41 31.416 -9.451 -15.788 386 2HD LYS 41 3HD LYS 41 32.229 -8.243 -14.812 387 1HE LYS 41 2HE LYS 41 33.397 -9.868 -13.745 388 2HE LYS 41 3HE LYS 41 31.904 -10.576 -13.160 389 1HZ LYS 41 1HZ LYS 41 33.226 -12.077 -14.532 390 2HZ LYS 41 2HZ LYS 41 31.736 -11.838 -15.153 391 3HZ LYS 41 3HZ LYS 41 33.028 -11.098 -15.824 392 H LYS 42 HN LYS 42 26.422 -6.722 -13.526 393 HA LYS 42 HA LYS 42 27.098 -7.227 -10.865 394 1HB LYS 42 2HB LYS 42 25.161 -5.570 -12.351 395 2HB LYS 42 3HB LYS 42 24.638 -6.019 -10.741 396 1HG LYS 42 2HG LYS 42 27.281 -5.342 -10.271 397 2HG LYS 42 3HG LYS 42 26.881 -4.246 -11.578 398 1HD LYS 42 2HD LYS 42 24.780 -4.435 -9.482 399 2HD LYS 42 3HD LYS 42 26.308 -3.804 -8.899 400 1HE LYS 42 2HE LYS 42 26.128 -2.356 -11.189 401 2HE LYS 42 3HE LYS 42 24.419 -2.637 -10.928 402 1HZ LYS 42 1HZ LYS 42 25.980 -0.790 -9.670 403 2HZ LYS 42 2HZ LYS 42 24.438 -1.176 -9.298 404 3HZ LYS 42 3HZ LYS 42 25.673 -1.910 -8.522 405 HA PRO 43 HA PRO 43 24.760 -10.918 -10.490 406 1HB PRO 43 2HB PRO 43 25.844 -11.741 -8.121 407 2HB PRO 43 3HB PRO 43 26.551 -12.116 -9.680 408 1HG PRO 43 2HG PRO 43 27.443 -10.143 -7.666 409 2HG PRO 43 3HG PRO 43 28.343 -10.830 -9.004 410 1HD PRO 43 2HD PRO 43 27.185 -8.209 -8.881 411 2HD PRO 43 3HD PRO 43 27.983 -8.939 -10.260 412 H ARG 44 HN ARG 44 23.368 -12.000 -8.720 413 HA ARG 44 HA ARG 44 21.402 -10.254 -8.137 414 1HB ARG 44 2HB ARG 44 20.607 -11.964 -6.487 415 2HB ARG 44 3HB ARG 44 21.132 -12.702 -7.987 416 1HG ARG 44 2HG ARG 44 23.465 -12.539 -6.356 417 2HG ARG 44 3HG ARG 44 22.182 -13.080 -5.290 418 1HD ARG 44 2HD ARG 44 22.868 -14.358 -7.983 419 2HD ARG 44 3HD ARG 44 23.358 -14.988 -6.423 420 HE ARG 44 HE ARG 44 20.744 -15.262 -7.636 421 1HH1 ARG 44 2HH2 ARG 44 22.346 -14.919 -4.522 422 2HH1 ARG 44 1HH2 ARG 44 21.083 -15.712 -3.641 423 1HH2 ARG 44 2HH1 ARG 44 19.077 -16.308 -6.474 424 2HH2 ARG 44 1HH1 ARG 44 19.212 -16.507 -4.759 425 H GLY 45 HN GLY 45 21.144 -8.593 -6.663 426 1HA GLY 45 1HA GLY 45 21.712 -8.492 -4.042 427 2HA GLY 45 2HA GLY 45 23.266 -8.100 -4.752 428 HA PRO 46 HA PRO 46 23.434 -6.848 -3.194 429 1HB PRO 46 2HB PRO 46 23.056 -5.004 -1.212 430 2HB PRO 46 3HB PRO 46 24.249 -4.815 -2.481 431 1HG PRO 46 2HG PRO 46 21.644 -3.453 -2.169 432 2HG PRO 46 3HG PRO 46 23.013 -2.990 -3.161 433 1HD PRO 46 2HD PRO 46 20.580 -4.217 -4.058 434 2HD PRO 46 3HD PRO 46 21.995 -3.860 -5.029 435 H ARG 47 HN ARG 47 23.322 -7.625 -0.865 436 HA ARG 47 HA ARG 47 20.535 -8.202 -0.297 437 1HB ARG 47 2HB ARG 47 22.488 -10.100 -1.198 438 2HB ARG 47 3HB ARG 47 22.234 -10.432 0.504 439 1HG ARG 47 2HG ARG 47 19.873 -10.024 -1.368 440 2HG ARG 47 3HG ARG 47 20.658 -11.586 -1.246 441 1HD ARG 47 2HD ARG 47 19.286 -11.981 0.532 442 2HD ARG 47 3HD ARG 47 20.317 -10.890 1.436 443 HE ARG 47 HE ARG 47 18.210 -9.557 -0.133 444 1HH1 ARG 47 2HH2 ARG 47 19.114 -10.937 2.975 445 2HH1 ARG 47 1HH2 ARG 47 17.912 -10.057 3.859 446 1HH2 ARG 47 2HH1 ARG 47 16.623 -8.397 1.032 447 2HH2 ARG 47 1HH1 ARG 47 16.485 -8.603 2.747 448 H GLY 48 HN GLY 48 20.660 -6.575 1.395 449 1HA GLY 48 1HA GLY 48 21.294 -7.458 3.928 450 2HA GLY 48 2HA GLY 48 22.718 -6.608 3.365 451 HA PRO 49 HA PRO 49 19.038 -3.607 3.813 452 1HB PRO 49 2HB PRO 49 17.202 -4.264 5.727 453 2HB PRO 49 3HB PRO 49 16.952 -4.562 4.019 454 1HG PRO 49 2HG PRO 49 17.629 -6.489 6.156 455 2HG PRO 49 3HG PRO 49 16.968 -6.803 4.563 456 1HD PRO 49 2HD PRO 49 19.683 -7.195 5.403 457 2HD PRO 49 3HD PRO 49 19.047 -7.398 3.782 458 H ARG 50 HN ARG 50 21.437 -3.329 4.726 459 HA ARG 50 HA ARG 50 22.636 -2.278 6.182 460 1HB ARG 50 2HB ARG 50 20.136 -0.989 6.336 461 2HB ARG 50 3HB ARG 50 20.539 -1.285 8.014 462 1HG ARG 50 2HG ARG 50 21.680 0.707 7.765 463 2HG ARG 50 3HG ARG 50 22.950 -0.365 7.212 464 1HD ARG 50 2HD ARG 50 20.937 0.617 5.183 465 2HD ARG 50 3HD ARG 50 22.162 1.739 5.740 466 HE ARG 50 HE ARG 50 23.433 -0.742 5.073 467 1HH1 ARG 50 2HH2 ARG 50 21.836 1.985 3.524 468 2HH1 ARG 50 1HH2 ARG 50 22.712 1.818 2.039 469 1HH2 ARG 50 2HH1 ARG 50 24.588 -0.962 3.114 470 2HH2 ARG 50 1HH1 ARG 50 24.287 0.131 1.804 471 HA PRO 51 HA PRO 51 22.825 -5.164 9.475 472 1HB PRO 51 2HB PRO 51 25.232 -4.425 10.539 473 2HB PRO 51 3HB PRO 51 25.082 -5.491 9.157 474 1HG PRO 51 2HG PRO 51 25.889 -2.648 9.225 475 2HG PRO 51 3HG PRO 51 26.136 -3.829 7.954 476 1HD PRO 51 2HD PRO 51 24.180 -1.732 7.991 477 2HD PRO 51 3HD PRO 51 24.353 -2.984 6.777 478 H GLN 52 HN GLN 52 23.569 -1.802 10.195 479 HA GLN 52 HA GLN 52 23.202 -0.605 11.983 480 1HB GLN 52 2HB GLN 52 20.885 -0.888 11.006 481 2HB GLN 52 3HB GLN 52 20.595 -2.177 12.156 482 1HG GLN 52 2HG GLN 52 20.255 -0.720 13.883 483 2HG GLN 52 3HG GLN 52 21.651 0.250 13.459 484 1HE2 GLN 52 1HE2 GLN 52 18.457 0.367 13.864 485 2HE2 GLN 52 2HE2 GLN 52 17.992 1.625 12.767 486 H THR 53 HN THR 53 24.811 -1.250 13.457 487 HA THR 53 HA THR 53 24.709 -3.621 14.946 488 HB THR 53 HB THR 53 26.116 -0.933 15.366 489 HG1 THR 53 HG1 THR 53 26.921 -1.968 13.524 490 1HG2 THR 53 1HG2 THR 53 27.753 -2.853 16.447 491 2HG2 THR 53 2HG2 THR 53 26.641 -1.866 17.425 492 3HG2 THR 53 3HG2 THR 53 26.163 -3.502 16.912 493 H SER 54 HN SER 54 23.005 -4.195 16.167 494 HA SER 54 HA SER 54 21.465 -2.242 17.489 495 1HB SER 54 2HB SER 54 21.013 -4.809 16.675 496 2HB SER 54 3HB SER 54 21.317 -5.097 18.376 497 HG SER 54 HG SER 54 19.146 -3.811 17.127 498 H LEU 55 HN LEU 55 22.903 -1.072 18.888 499 HA LEU 55 HA LEU 55 24.094 -2.676 21.034 500 1HB LEU 55 2HB LEU 55 25.550 -0.759 21.414 501 2HB LEU 55 3HB LEU 55 25.708 -1.418 19.798 502 HG LEU 55 HG LEU 55 23.773 0.788 19.964 503 1HD1 LEU 55 1HD1 LEU 55 26.076 2.286 19.949 504 2HD1 LEU 55 2HD1 LEU 55 24.952 2.120 21.318 505 3HD1 LEU 55 3HD1 LEU 55 26.402 1.092 21.228 506 1HD2 LEU 55 1HD2 LEU 55 25.346 -0.464 18.028 507 2HD2 LEU 55 2HD2 LEU 55 24.325 0.979 17.821 508 3HD2 LEU 55 3HD2 LEU 55 26.052 1.159 18.209 509 H LEU 56 HN LEU 56 22.308 -2.968 22.390 510 HA LEU 56 HA LEU 56 21.688 -0.726 24.019 511 1HB LEU 56 2HB LEU 56 20.196 -0.050 22.345 512 2HB LEU 56 3HB LEU 56 19.660 -1.687 22.022 513 HG LEU 56 HG LEU 56 18.964 -1.316 24.685 514 1HD1 LEU 56 1HD1 LEU 56 17.696 1.067 23.572 515 2HD1 LEU 56 2HD1 LEU 56 18.454 0.801 25.160 516 3HD1 LEU 56 3HD1 LEU 56 19.458 1.243 23.758 517 1HD2 LEU 56 1HD2 LEU 56 16.686 -1.354 23.886 518 2HD2 LEU 56 2HD2 LEU 56 17.209 -0.862 22.257 519 3HD2 LEU 56 3HD2 LEU 56 17.679 -2.454 22.900 Start of MODEL 9 1 1H5* C 504 1H5* C 504 36.556 -4.045 -1.928 2 2H5* C 504 2H5* C 504 37.118 -3.486 -3.503 3 H4* C 504 H4* C 504 37.311 -6.009 -2.799 4 H3* C 504 H3* C 504 36.232 -5.523 -5.587 5 H2* C 504 H2* C 504 37.615 -7.400 -6.008 6 2HO* C 504 2HO* C 504 39.531 -7.257 -4.999 7 H1* C 504 H1* C 504 36.976 -8.072 -3.155 8 1H4 C 504 1H4 C 504 35.238 -13.520 -5.926 9 2H4 C 504 2H4 C 504 34.426 -12.652 -7.211 10 H5 C 504 H5 C 504 34.382 -10.297 -7.385 11 H6 C 504 H6 C 504 35.112 -8.173 -6.357 12 1H5* C 505 1H5* C 505 40.609 -6.236 -7.493 13 2H5* C 505 2H5* C 505 40.156 -4.931 -8.588 14 H4* C 505 H4* C 505 40.556 -7.196 -9.632 15 H3* C 505 H3* C 505 38.104 -5.548 -10.116 16 H2* C 505 H2* C 505 37.224 -7.187 -11.587 17 2HO* C 505 2HO* C 505 39.022 -9.129 -11.547 18 H1* C 505 H1* C 505 37.797 -9.306 -9.805 19 1H4 C 505 1H4 C 505 31.608 -8.039 -8.876 20 2H4 C 505 2H4 C 505 32.049 -6.701 -7.838 21 H5 C 505 H5 C 505 34.272 -5.978 -7.499 22 H6 C 505 H6 C 505 36.641 -6.364 -8.077 23 1H5* U 506 1H5* U 506 39.991 -1.711 -10.561 24 2H5* U 506 2H5* U 506 38.780 -1.804 -9.283 25 H4* U 506 H4* U 506 37.947 -0.877 -11.438 26 H3* U 506 H3* U 506 36.647 -3.354 -10.295 27 H2* U 506 H2* U 506 34.968 -3.160 -11.935 28 2HO* U 506 2HO* U 506 35.974 -0.762 -12.986 29 H1* U 506 H1* U 506 36.939 -2.339 -13.904 30 H3 U 506 H3 U 506 36.940 -6.207 -16.206 31 H5 U 506 H5 U 506 35.112 -7.256 -12.588 32 H6 U 506 H6 U 506 35.617 -4.993 -11.789 33 1H5* C 507 1H5* C 507 34.718 1.012 -10.996 34 2H5* C 507 2H5* C 507 34.429 1.061 -9.257 35 H4* C 507 H4* C 507 32.966 2.404 -11.089 36 H3* C 507 H3* C 507 32.325 1.473 -8.316 37 H2* C 507 H2* C 507 30.082 2.234 -8.527 38 2HO* C 507 2HO* C 507 31.067 3.197 -11.059 39 H1* C 507 H1* C 507 29.684 0.976 -10.985 40 1H4 C 507 1H4 C 507 27.637 -3.243 -6.641 41 2H4 C 507 2H4 C 507 29.274 -3.842 -6.483 42 H5 C 507 H5 C 507 31.141 -2.862 -7.548 43 H6 C 507 H6 C 507 31.906 -1.049 -9.039 44 1H5* C 508 1H5* C 508 34.563 5.616 -5.871 45 2H5* C 508 2H5* C 508 32.989 6.163 -6.446 46 H4* C 508 H4* C 508 34.486 8.039 -6.264 47 H3* C 508 H3* C 508 33.645 7.251 -9.032 48 H2* C 508 H2* C 508 34.866 9.060 -9.960 49 2HO* C 508 2HO* C 508 34.805 10.744 -8.592 50 H1* C 508 H1* C 508 37.145 8.485 -8.354 51 1H4 C 508 1H4 C 508 38.957 5.663 -13.748 52 2H4 C 508 2H4 C 508 37.362 4.980 -13.977 53 H5 C 508 H5 C 508 35.561 5.315 -12.487 54 H6 C 508 H6 C 508 34.839 6.398 -10.389 55 1H5* G 509 1H5* G 509 32.846 9.916 -10.815 56 2H5* G 509 2H5* G 509 31.691 10.677 -9.721 57 H4* G 509 H4* G 509 30.925 11.353 -11.783 58 H3* G 509 H3* G 509 29.394 8.945 -10.886 59 H2* G 509 H2* G 509 28.118 8.935 -12.894 60 2HO* G 509 2HO* G 509 28.148 11.298 -12.883 61 H1* G 509 H1* G 509 30.406 9.165 -14.518 62 H8 G 509 H8 G 509 29.982 6.948 -11.410 63 H1 G 509 H1 G 509 29.832 3.862 -17.097 64 1H2 G 509 1H2 G 509 30.006 5.232 -18.628 65 2H2 G 509 2H2 G 509 30.168 6.959 -18.405 66 1H5* U 510 1H5* U 510 26.736 13.302 -12.169 67 2H5* U 510 2H5* U 510 26.202 13.070 -10.505 68 H4* U 510 H4* U 510 24.489 14.060 -12.014 69 H3* U 510 H3* U 510 23.901 11.462 -10.590 70 H2* U 510 H2* U 510 21.661 11.623 -11.331 71 2HO* U 510 2HO* U 510 21.731 13.941 -10.881 72 H1* U 510 H1* U 510 22.513 12.490 -13.939 73 H3 U 510 H3 U 510 20.404 8.722 -15.184 74 H5 U 510 H5 U 510 23.477 7.304 -12.716 75 H6 U 510 H6 U 510 24.035 9.643 -12.233 76 1H ALA 1 HN ALA 1 73.618 -10.939 17.532 77 HA ALA 1 HA ALA 1 74.068 -11.516 15.060 78 1HB ALA 1 1HB ALA 1 71.758 -13.285 15.105 79 2HB ALA 1 2HB ALA 1 73.368 -13.547 14.393 80 3HB ALA 1 3HB ALA 1 73.077 -13.939 16.105 81 H THR 2 HN THR 2 72.515 -10.588 13.532 82 HA THR 2 HA THR 2 69.927 -9.828 14.280 83 HB THR 2 HB THR 2 71.127 -8.390 15.929 84 HG1 THR 2 HG1 THR 2 69.206 -7.731 14.472 85 1HG2 THR 2 1HG2 THR 2 72.950 -7.979 13.733 86 2HG2 THR 2 2HG2 THR 2 72.152 -6.423 14.066 87 3HG2 THR 2 3HG2 THR 2 73.032 -7.266 15.363 88 H VAL 3 HN VAL 3 68.872 -9.684 12.409 89 HA VAL 3 HA VAL 3 70.045 -8.201 10.244 90 HB VAL 3 HB VAL 3 69.638 -11.189 10.098 91 1HG1 VAL 3 1HG1 VAL 3 70.253 -9.365 7.756 92 2HG1 VAL 3 2HG1 VAL 3 69.890 -11.108 7.728 93 3HG1 VAL 3 3HG1 VAL 3 68.614 -9.939 8.146 94 1HG2 VAL 3 1HG2 VAL 3 72.007 -9.341 9.829 95 2HG2 VAL 3 2HG2 VAL 3 71.823 -10.804 10.827 96 3HG2 VAL 3 3HG2 VAL 3 72.007 -10.948 9.062 97 H VAL 4 HN VAL 4 68.456 -7.660 8.615 98 HA VAL 4 HA VAL 4 65.818 -8.691 8.803 99 HB VAL 4 HB VAL 4 65.939 -7.242 10.825 100 1HG1 VAL 4 1HG1 VAL 4 65.716 -4.703 10.216 101 2HG1 VAL 4 2HG1 VAL 4 67.328 -5.446 10.353 102 3HG1 VAL 4 3HG1 VAL 4 66.607 -5.172 8.749 103 1HG2 VAL 4 1HG2 VAL 4 63.847 -7.714 9.374 104 2HG2 VAL 4 2HG2 VAL 4 63.773 -6.396 10.568 105 3HG2 VAL 4 3HG2 VAL 4 64.017 -6.023 8.844 106 H SER 5 HN SER 5 64.390 -7.660 7.151 107 HA SER 5 HA SER 5 65.595 -5.793 5.395 108 1HB SER 5 2HB SER 5 66.675 -8.009 4.739 109 2HB SER 5 3HB SER 5 65.082 -8.589 4.294 110 HG SER 5 HG SER 5 66.034 -6.108 3.207 111 H GLY 6 HN GLY 6 64.038 -5.110 3.676 112 1HA GLY 6 1HA GLY 6 61.431 -6.252 3.544 113 2HA GLY 6 2HA GLY 6 61.444 -4.832 4.572 114 H GLN 7 HN GLN 7 60.790 -5.789 1.491 115 HA GLN 7 HA GLN 7 62.186 -3.927 -0.040 116 1HB GLN 7 2HB GLN 7 60.573 -4.487 -1.808 117 2HB GLN 7 3HB GLN 7 61.089 -5.942 -0.978 118 1HG GLN 7 2HG GLN 7 58.971 -5.542 0.545 119 2HG GLN 7 3HG GLN 7 58.438 -4.481 -0.744 120 1HE2 GLN 7 1HE2 GLN 7 56.961 -6.643 -0.105 121 2HE2 GLN 7 2HE2 GLN 7 57.025 -7.853 -1.343 122 H LYS 8 HN LYS 8 61.397 -1.934 -1.055 123 HA LYS 8 HA LYS 8 59.091 -0.746 0.289 124 1HB LYS 8 2HB LYS 8 61.903 0.349 0.245 125 2HB LYS 8 3HB LYS 8 60.517 1.411 0.393 126 1HG LYS 8 2HG LYS 8 60.801 -1.009 2.209 127 2HG LYS 8 3HG LYS 8 61.645 0.482 2.578 128 1HD LYS 8 2HD LYS 8 59.646 1.697 2.919 129 2HD LYS 8 3HD LYS 8 58.689 0.600 1.944 130 1HE LYS 8 2HE LYS 8 58.142 -0.625 3.773 131 2HE LYS 8 3HE LYS 8 59.833 -0.903 4.141 132 1HZ LYS 8 1HZ LYS 8 58.033 0.977 5.287 133 2HZ LYS 8 2HZ LYS 8 59.421 0.365 5.891 134 3HZ LYS 8 3HZ LYS 8 59.466 1.648 4.881 135 H GLN 9 HN GLN 9 57.801 0.466 -1.063 136 HA GLN 9 HA GLN 9 58.880 1.446 -3.506 137 1HB GLN 9 2HB GLN 9 57.395 -1.109 -3.434 138 2HB GLN 9 3HB GLN 9 56.697 0.052 -4.546 139 1HG GLN 9 2HG GLN 9 58.461 -0.088 -5.997 140 2HG GLN 9 3HG GLN 9 59.649 -0.040 -4.709 141 1HE2 GLN 9 1HE2 GLN 9 58.989 -1.779 -7.181 142 2HE2 GLN 9 2HE2 GLN 9 59.192 -3.407 -6.627 143 H ASP 10 HN ASP 10 57.030 2.569 -4.824 144 HA ASP 10 HA ASP 10 54.912 3.369 -3.003 145 1HB ASP 10 2HB ASP 10 56.647 5.224 -4.700 146 2HB ASP 10 3HB ASP 10 55.198 5.737 -3.858 147 H ARG 11 HN ARG 11 56.294 3.880 -6.346 148 HA ARG 11 HA ARG 11 55.412 3.876 -8.319 149 1HB ARG 11 2HB ARG 11 53.863 1.713 -6.920 150 2HB ARG 11 3HB ARG 11 53.227 2.238 -8.467 151 1HG ARG 11 2HG ARG 11 55.384 1.773 -9.568 152 2HG ARG 11 3HG ARG 11 56.130 1.392 -8.029 153 1HD ARG 11 2HD ARG 11 54.047 -0.355 -7.914 154 2HD ARG 11 3HD ARG 11 54.194 -0.234 -9.657 155 HE ARG 11 HE ARG 11 56.742 -0.673 -8.245 156 1HH1 ARG 11 2HH2 ARG 11 53.999 -2.167 -9.865 157 2HH1 ARG 11 1HH2 ARG 11 54.837 -3.647 -10.195 158 1HH2 ARG 11 2HH1 ARG 11 57.848 -2.624 -8.680 159 2HH2 ARG 11 1HH1 ARG 11 57.041 -3.908 -9.516 160 H GLN 12 HN GLN 12 54.535 5.874 -8.842 161 HA GLN 12 HA GLN 12 51.857 6.394 -7.812 162 1HB GLN 12 2HB GLN 12 53.738 7.976 -7.135 163 2HB GLN 12 3HB GLN 12 53.878 8.441 -8.819 164 1HG GLN 12 2HG GLN 12 51.756 9.483 -8.856 165 2HG GLN 12 3HG GLN 12 51.157 8.548 -7.500 166 1HE2 GLN 12 1HE2 GLN 12 50.559 10.145 -6.171 167 2HE2 GLN 12 2HE2 GLN 12 51.620 11.317 -5.461 168 H GLY 13 HN GLY 13 53.996 7.194 -10.652 169 1HA GLY 13 1HA GLY 13 53.434 6.578 -12.856 170 2HA GLY 13 2HA GLY 13 51.736 6.549 -12.423 171 H GLY 14 HN GLY 14 52.317 7.938 -14.677 172 1HA GLY 14 1HA GLY 14 52.310 10.772 -13.822 173 2HA GLY 14 2HA GLY 14 53.006 10.193 -15.323 174 H GLU 15 HN GLU 15 49.872 9.538 -13.588 175 HA GLU 15 HA GLU 15 48.336 10.978 -15.381 176 1HB GLU 15 2HB GLU 15 49.081 9.163 -16.967 177 2HB GLU 15 3HB GLU 15 48.303 7.979 -15.936 178 1HG GLU 15 2HG GLU 15 46.308 9.925 -16.327 179 2HG GLU 15 3HG GLU 15 47.102 9.835 -17.885 180 H ARG 16 HN ARG 16 46.201 11.145 -14.597 181 HA ARG 16 HA ARG 16 45.084 9.149 -12.994 182 1HB ARG 16 2HB ARG 16 46.718 10.076 -11.330 183 2HB ARG 16 3HB ARG 16 46.029 11.673 -11.540 184 1HG ARG 16 2HG ARG 16 44.671 11.113 -9.793 185 2HG ARG 16 3HG ARG 16 43.760 10.201 -10.980 186 1HD ARG 16 2HD ARG 16 44.853 8.136 -10.402 187 2HD ARG 16 3HD ARG 16 46.137 8.958 -9.540 188 HE ARG 16 HE ARG 16 43.439 9.435 -8.455 189 1HH1 ARG 16 2HH2 ARG 16 46.347 7.459 -8.305 190 2HH1 ARG 16 1HH2 ARG 16 46.034 6.893 -6.698 191 1HH2 ARG 16 2HH1 ARG 16 43.027 8.690 -6.335 192 2HH2 ARG 16 1HH1 ARG 16 44.132 7.599 -5.569 193 H ARG 17 HN ARG 17 43.379 9.568 -14.559 194 HA ARG 17 HA ARG 17 41.628 11.606 -13.696 195 1HB ARG 17 2HB ARG 17 43.403 12.537 -15.547 196 2HB ARG 17 3HB ARG 17 42.215 11.853 -16.638 197 1HG ARG 17 2HG ARG 17 40.418 13.191 -15.552 198 2HG ARG 17 3HG ARG 17 41.575 13.843 -14.409 199 1HD ARG 17 2HD ARG 17 42.862 14.875 -16.293 200 2HD ARG 17 3HD ARG 17 41.715 14.214 -17.441 201 HE ARG 17 HE ARG 17 40.059 15.600 -15.759 202 1HH1 ARG 17 2HH2 ARG 17 43.052 16.502 -17.373 203 2HH1 ARG 17 1HH2 ARG 17 42.637 18.181 -17.484 204 1HH2 ARG 17 2HH1 ARG 17 39.509 17.813 -15.905 205 2HH2 ARG 17 1HH1 ARG 17 40.607 18.931 -16.644 206 H ARG 18 HN ARG 18 40.898 9.150 -13.429 207 HA ARG 18 HA ARG 18 39.810 7.382 -14.130 208 1HB ARG 18 2HB ARG 18 37.554 7.914 -15.021 209 2HB ARG 18 3HB ARG 18 38.008 9.064 -13.779 210 1HG ARG 18 2HG ARG 18 38.737 10.682 -15.547 211 2HG ARG 18 3HG ARG 18 38.279 9.533 -16.787 212 1HD ARG 18 2HD ARG 18 36.068 10.080 -16.624 213 2HD ARG 18 3HD ARG 18 36.085 9.967 -14.875 214 HE ARG 18 HE ARG 18 36.464 12.283 -14.735 215 1HH1 ARG 18 2HH2 ARG 18 37.000 11.193 -18.038 216 2HH1 ARG 18 1HH2 ARG 18 37.125 12.796 -18.682 217 1HH2 ARG 18 2HH1 ARG 18 36.628 14.398 -15.585 218 2HH2 ARG 18 1HH1 ARG 18 36.912 14.631 -17.278 219 H SER 19 HN SER 19 42.035 7.892 -15.878 220 HA SER 19 HA SER 19 42.813 7.599 -17.902 221 1HB SER 19 2HB SER 19 42.431 5.288 -17.376 222 2HB SER 19 3HB SER 19 40.713 5.413 -17.695 223 HG SER 19 HG SER 19 42.450 4.523 -19.396 224 H GLN 20 HN GLN 20 39.704 6.347 -19.104 225 HA GLN 20 HA GLN 20 39.104 8.891 -20.321 226 1HB GLN 20 2HB GLN 20 40.591 7.059 -21.765 227 2HB GLN 20 3HB GLN 20 38.960 6.641 -22.253 228 1HG GLN 20 2HG GLN 20 39.609 8.321 -23.806 229 2HG GLN 20 3HG GLN 20 38.589 9.174 -22.663 230 1HE2 GLN 20 1HE2 GLN 20 39.426 10.674 -21.286 231 2HE2 GLN 20 2HE2 GLN 20 41.043 11.289 -21.379 232 H LEU 21 HN LEU 21 37.638 7.970 -18.283 233 HA LEU 21 HA LEU 21 35.707 6.044 -18.893 234 1HB LEU 21 2HB LEU 21 36.478 7.467 -16.694 235 2HB LEU 21 3HB LEU 21 34.932 8.208 -17.057 236 HG LEU 21 HG LEU 21 35.463 5.283 -16.487 237 1HD1 LEU 21 1HD1 LEU 21 33.697 7.206 -14.966 238 2HD1 LEU 21 2HD1 LEU 21 34.260 5.590 -14.475 239 3HD1 LEU 21 3HD1 LEU 21 35.413 6.942 -14.574 240 1HD2 LEU 21 1HD2 LEU 21 33.490 4.671 -17.333 241 2HD2 LEU 21 2HD2 LEU 21 32.659 6.101 -16.676 242 3HD2 LEU 21 3HD2 LEU 21 33.535 6.212 -18.222 243 H ASP 22 HN ASP 22 34.310 6.107 -20.568 244 HA ASP 22 HA ASP 22 33.601 8.623 -21.684 245 1HB ASP 22 2HB ASP 22 33.517 5.818 -22.437 246 2HB ASP 22 3HB ASP 22 31.932 6.516 -22.696 247 H ARG 23 HN ARG 23 31.461 9.574 -21.634 248 HA ARG 23 HA ARG 23 30.029 9.104 -19.311 249 1HB ARG 23 2HB ARG 23 29.446 10.650 -21.869 250 2HB ARG 23 3HB ARG 23 28.249 10.566 -20.592 251 1HG ARG 23 2HG ARG 23 31.114 11.567 -20.239 252 2HG ARG 23 3HG ARG 23 29.707 12.596 -20.405 253 1HD ARG 23 2HD ARG 23 29.210 10.629 -18.316 254 2HD ARG 23 3HD ARG 23 30.739 11.426 -18.005 255 HE ARG 23 HE ARG 23 28.824 13.422 -18.735 256 1HH1 ARG 23 2HH2 ARG 23 29.522 11.199 -16.098 257 2HH1 ARG 23 1HH2 ARG 23 28.778 12.194 -14.893 258 1HH2 ARG 23 2HH1 ARG 23 27.841 14.735 -17.144 259 2HH2 ARG 23 1HH1 ARG 23 27.815 14.219 -15.491 260 H ASP 24 HN ASP 24 30.173 7.305 -22.193 261 HA ASP 24 HA ASP 24 27.533 6.199 -21.639 262 1HB ASP 24 2HB ASP 24 27.761 7.449 -23.859 263 2HB ASP 24 3HB ASP 24 28.947 6.253 -24.343 264 H GLN 25 HN GLN 25 30.182 5.487 -20.492 265 HA GLN 25 HA GLN 25 30.525 2.875 -21.751 266 1HB GLN 25 2HB GLN 25 32.470 4.924 -21.013 267 2HB GLN 25 3HB GLN 25 32.818 3.425 -20.173 268 1HG GLN 25 2HG GLN 25 32.259 2.464 -22.693 269 2HG GLN 25 3HG GLN 25 32.926 4.033 -23.096 270 1HE2 GLN 25 1HE2 GLN 25 34.918 3.708 -23.744 271 2HE2 GLN 25 2HE2 GLN 25 36.152 2.817 -22.917 272 H CYS 26 HN CYS 26 31.693 1.321 -19.966 273 HA CYS 26 HA CYS 26 29.987 1.566 -17.600 274 1HB CYS 26 2HB CYS 26 29.513 -0.407 -18.999 275 2HB CYS 26 3HB CYS 26 31.178 -0.931 -18.850 276 H ALA 27 HN ALA 27 31.000 1.710 -15.593 277 HA ALA 27 HA ALA 27 33.924 1.696 -15.655 278 1HB ALA 27 1HB ALA 27 33.750 3.039 -13.626 279 2HB ALA 27 2HB ALA 27 32.705 3.739 -14.885 280 3HB ALA 27 3HB ALA 27 31.991 2.780 -13.567 281 H TYR 28 HN TYR 28 32.270 -0.783 -15.709 282 HA TYR 28 HA TYR 28 33.180 -1.883 -13.138 283 1HB TYR 28 2HB TYR 28 30.609 -1.544 -13.609 284 2HB TYR 28 3HB TYR 28 30.789 -2.747 -14.871 285 HD1 TYR 28 HD1 TYR 28 30.784 -2.172 -11.231 286 HD2 TYR 28 HD2 TYR 28 31.085 -5.104 -14.333 287 HE1 TYR 28 HE1 TYR 28 30.409 -4.024 -9.529 288 HE2 TYR 28 HE2 TYR 28 30.710 -6.945 -12.620 289 HH TYR 28 HH TYR 28 30.751 -6.280 -9.222 290 H CYS 29 HN CYS 29 31.911 -3.012 -16.358 291 HA CYS 29 HA CYS 29 33.910 -5.105 -16.294 292 1HB CYS 29 2HB CYS 29 32.701 -6.016 -18.242 293 2HB CYS 29 3HB CYS 29 31.648 -5.777 -16.861 294 H LYS 30 HN LYS 30 33.476 -1.884 -17.403 295 HA LYS 30 HA LYS 30 34.861 -0.570 -18.546 296 1HB LYS 30 2HB LYS 30 36.468 -2.945 -18.252 297 2HB LYS 30 3HB LYS 30 36.719 -2.270 -19.849 298 1HG LYS 30 2HG LYS 30 36.747 -0.501 -17.374 299 2HG LYS 30 3HG LYS 30 38.184 -1.364 -17.883 300 1HD LYS 30 2HD LYS 30 38.529 0.002 -19.699 301 2HD LYS 30 3HD LYS 30 36.822 0.098 -20.085 302 1HE LYS 30 2HE LYS 30 36.445 1.910 -18.637 303 2HE LYS 30 3HE LYS 30 37.779 1.487 -17.582 304 1HZ LYS 30 1HZ LYS 30 37.882 3.377 -19.441 305 2HZ LYS 30 2HZ LYS 30 39.199 2.620 -18.841 306 3HZ LYS 30 3HZ LYS 30 38.554 2.133 -20.259 307 H GLU 31 HN GLU 31 32.448 -2.151 -19.507 308 HA GLU 31 HA GLU 31 32.992 -2.522 -22.282 309 1HB GLU 31 2HB GLU 31 30.553 -2.785 -20.510 310 2HB GLU 31 3HB GLU 31 30.359 -2.780 -22.253 311 1HG GLU 31 2HG GLU 31 32.419 -4.600 -20.965 312 2HG GLU 31 3HG GLU 31 30.731 -5.071 -20.990 313 H LYS 32 HN LYS 32 30.848 -1.498 -23.660 314 HA LYS 32 HA LYS 32 30.665 1.321 -22.953 315 1HB LYS 32 2HB LYS 32 32.671 1.013 -24.433 316 2HB LYS 32 3HB LYS 32 31.606 0.408 -25.686 317 1HG LYS 32 2HG LYS 32 30.261 2.600 -25.419 318 2HG LYS 32 3HG LYS 32 31.584 3.185 -24.430 319 1HD LYS 32 2HD LYS 32 33.038 3.377 -26.226 320 2HD LYS 32 3HD LYS 32 32.369 1.987 -27.059 321 1HE LYS 32 2HE LYS 32 30.232 3.500 -27.385 322 2HE LYS 32 3HE LYS 32 31.302 4.830 -26.988 323 1HZ LYS 32 1HZ LYS 32 32.275 4.671 -28.954 324 2HZ LYS 32 2HZ LYS 32 32.429 3.047 -28.889 325 3HZ LYS 32 3HZ LYS 32 31.035 3.714 -29.416 326 H GLY 33 HN GLY 33 28.585 1.972 -23.109 327 1HA GLY 33 1HA GLY 33 26.739 2.041 -24.826 328 2HA GLY 33 2HA GLY 33 26.775 0.291 -24.731 329 H HIS 34 HN HIS 34 27.218 -0.117 -21.950 330 HA HIS 34 HA HIS 34 24.722 0.995 -20.892 331 1HB HIS 34 2HB HIS 34 24.455 -1.009 -19.613 332 2HB HIS 34 3HB HIS 34 24.725 -1.450 -21.287 333 HD1 HIS 34 HD1 HIS 34 26.795 -2.864 -21.841 334 HD2 HIS 34 HD2 HIS 34 26.662 -1.591 -17.846 335 HE1 HIS 34 HE1 HIS 34 28.626 -4.153 -20.619 336 H TRP 35 HN TRP 35 24.723 1.178 -18.408 337 HA TRP 35 HA TRP 35 27.254 2.431 -17.658 338 1HB TRP 35 2HB TRP 35 24.396 2.838 -16.959 339 2HB TRP 35 3HB TRP 35 25.568 3.123 -15.688 340 HD1 TRP 35 HD1 TRP 35 25.814 4.100 -19.472 341 HE1 TRP 35 HE1 TRP 35 26.313 6.680 -19.724 342 HE3 TRP 35 HE3 TRP 35 25.673 5.149 -14.498 343 HZ2 TRP 35 HZ2 TRP 35 26.587 8.821 -17.858 344 HZ3 TRP 35 HZ3 TRP 35 26.066 7.509 -13.798 345 HH2 TRP 35 HH2 TRP 35 26.512 9.313 -15.385 346 H ALA 36 HN ALA 36 28.027 2.038 -15.382 347 HA ALA 36 HA ALA 36 28.285 -0.687 -14.882 348 1HB ALA 36 1HB ALA 36 29.298 0.108 -12.731 349 2HB ALA 36 2HB ALA 36 29.929 0.957 -14.164 350 3HB ALA 36 3HB ALA 36 28.731 1.752 -13.115 351 H LYS 37 HN LYS 37 25.971 1.777 -13.701 352 HA LYS 37 HA LYS 37 24.916 0.181 -11.630 353 1HB LYS 37 2HB LYS 37 24.084 2.685 -13.065 354 2HB LYS 37 3HB LYS 37 22.931 1.870 -12.026 355 1HG LYS 37 2HG LYS 37 23.993 3.346 -10.528 356 2HG LYS 37 3HG LYS 37 24.857 1.847 -10.245 357 1HD LYS 37 2HD LYS 37 26.818 2.655 -11.126 358 2HD LYS 37 3HD LYS 37 26.008 3.480 -12.443 359 1HE LYS 37 2HE LYS 37 26.893 5.249 -11.122 360 2HE LYS 37 3HE LYS 37 25.201 5.197 -10.672 361 1HZ LYS 37 1HZ LYS 37 26.656 3.430 -9.066 362 2HZ LYS 37 2HZ LYS 37 27.366 4.900 -9.017 363 3HZ LYS 37 3HZ LYS 37 25.790 4.739 -8.617 364 H ASP 38 HN ASP 38 24.862 -0.173 -15.011 365 HA ASP 38 HA ASP 38 22.500 -1.857 -14.742 366 1HB ASP 38 2HB ASP 38 22.536 0.400 -16.269 367 2HB ASP 38 3HB ASP 38 23.211 -0.724 -17.432 368 H CYS 39 HN CYS 39 25.565 -2.222 -14.555 369 HA CYS 39 HA CYS 39 26.502 -3.410 -16.888 370 1HB CYS 39 2HB CYS 39 27.921 -2.635 -14.989 371 2HB CYS 39 3HB CYS 39 27.356 -3.990 -14.033 372 HA PRO 40 HA PRO 40 24.215 -7.137 -16.660 373 1HB PRO 40 2HB PRO 40 25.364 -8.452 -18.762 374 2HB PRO 40 3HB PRO 40 24.077 -7.280 -18.954 375 1HG PRO 40 2HG PRO 40 26.961 -6.975 -19.526 376 2HG PRO 40 3HG PRO 40 25.620 -6.000 -20.094 377 1HD PRO 40 2HD PRO 40 27.480 -5.319 -18.019 378 2HD PRO 40 3HD PRO 40 26.072 -4.397 -18.508 379 H LYS 41 HN LYS 41 27.273 -6.689 -15.681 380 HA LYS 41 HA LYS 41 27.749 -9.529 -15.232 381 1HB LYS 41 2HB LYS 41 29.420 -7.424 -15.925 382 2HB LYS 41 3HB LYS 41 29.743 -7.638 -14.216 383 1HG LYS 41 2HG LYS 41 29.765 -10.242 -14.906 384 2HG LYS 41 3HG LYS 41 30.150 -9.583 -16.484 385 1HD LYS 41 2HD LYS 41 32.311 -9.516 -15.768 386 2HD LYS 41 3HD LYS 41 31.838 -8.117 -14.826 387 1HE LYS 41 2HE LYS 41 31.403 -10.898 -13.695 388 2HE LYS 41 3HE LYS 41 32.999 -10.176 -13.629 389 1HZ LYS 41 1HZ LYS 41 31.665 -9.695 -11.678 390 2HZ LYS 41 2HZ LYS 41 32.079 -8.321 -12.458 391 3HZ LYS 41 3HZ LYS 41 30.561 -8.907 -12.588 392 H LYS 42 HN LYS 42 26.488 -6.662 -13.704 393 HA LYS 42 HA LYS 42 27.114 -7.386 -11.038 394 1HB LYS 42 2HB LYS 42 25.316 -5.391 -12.377 395 2HB LYS 42 3HB LYS 42 25.099 -5.719 -10.669 396 1HG LYS 42 2HG LYS 42 27.884 -5.471 -10.923 397 2HG LYS 42 3HG LYS 42 27.274 -4.262 -12.034 398 1HD LYS 42 2HD LYS 42 26.239 -4.510 -9.176 399 2HD LYS 42 3HD LYS 42 27.625 -3.517 -9.583 400 1HE LYS 42 2HE LYS 42 25.902 -2.587 -11.466 401 2HE LYS 42 3HE LYS 42 24.727 -3.111 -10.277 402 1HZ LYS 42 1HZ LYS 42 26.705 -1.019 -10.077 403 2HZ LYS 42 2HZ LYS 42 25.179 -1.067 -9.500 404 3HZ LYS 42 3HZ LYS 42 26.377 -1.844 -8.708 405 HA PRO 43 HA PRO 43 24.121 -10.578 -10.882 406 1HB PRO 43 2HB PRO 43 24.925 -11.657 -8.503 407 2HB PRO 43 3HB PRO 43 25.628 -12.105 -10.045 408 1HG PRO 43 2HG PRO 43 26.760 -10.390 -7.920 409 2HG PRO 43 3HG PRO 43 27.587 -11.185 -9.245 410 1HD PRO 43 2HD PRO 43 26.912 -8.403 -9.066 411 2HD PRO 43 3HD PRO 43 27.633 -9.221 -10.438 412 H ARG 44 HN ARG 44 22.561 -11.489 -9.083 413 HA ARG 44 HA ARG 44 21.048 -9.231 -8.420 414 1HB ARG 44 2HB ARG 44 20.557 -11.952 -8.707 415 2HB ARG 44 3HB ARG 44 20.435 -11.762 -6.969 416 1HG ARG 44 2HG ARG 44 19.057 -9.576 -8.360 417 2HG ARG 44 3HG ARG 44 18.452 -11.133 -8.890 418 1HD ARG 44 2HD ARG 44 18.577 -11.556 -6.171 419 2HD ARG 44 3HD ARG 44 18.251 -9.835 -6.204 420 HE ARG 44 HE ARG 44 16.407 -10.757 -7.999 421 1HH1 ARG 44 2HH2 ARG 44 17.256 -11.838 -4.760 422 2HH1 ARG 44 1HH2 ARG 44 15.668 -12.432 -4.404 423 1HH2 ARG 44 2HH1 ARG 44 14.313 -11.540 -7.530 424 2HH2 ARG 44 1HH1 ARG 44 13.982 -12.261 -5.991 425 H GLY 45 HN GLY 45 21.182 -7.945 -6.600 426 1HA GLY 45 1HA GLY 45 21.647 -8.918 -4.007 427 2HA GLY 45 2HA GLY 45 23.163 -8.321 -4.652 428 HA PRO 46 HA PRO 46 23.346 -7.728 -2.683 429 1HB PRO 46 2HB PRO 46 23.006 -6.706 -0.171 430 2HB PRO 46 3HB PRO 46 24.202 -6.099 -1.297 431 1HG PRO 46 2HG PRO 46 21.626 -4.889 -0.502 432 2HG PRO 46 3HG PRO 46 23.004 -4.129 -1.272 433 1HD PRO 46 2HD PRO 46 20.548 -4.907 -2.531 434 2HD PRO 46 3HD PRO 46 21.970 -4.254 -3.321 435 H ARG 47 HN ARG 47 20.220 -6.859 -1.297 436 HA ARG 47 HA ARG 47 19.734 -9.699 -1.110 437 1HB ARG 47 2HB ARG 47 20.195 -7.937 1.170 438 2HB ARG 47 3HB ARG 47 18.551 -8.539 1.227 439 1HG ARG 47 2HG ARG 47 19.838 -10.861 0.597 440 2HG ARG 47 3HG ARG 47 21.136 -10.046 1.446 441 1HD ARG 47 2HD ARG 47 19.098 -9.537 3.189 442 2HD ARG 47 3HD ARG 47 18.504 -11.033 2.498 443 HE ARG 47 HE ARG 47 20.241 -12.199 3.561 444 1HH1 ARG 47 2HH2 ARG 47 20.954 -8.753 3.595 445 2HH1 ARG 47 1HH2 ARG 47 22.317 -8.916 4.652 446 1HH2 ARG 47 2HH1 ARG 47 22.038 -12.414 4.956 447 2HH2 ARG 47 1HH1 ARG 47 22.937 -11.012 5.432 448 H GLY 48 HN GLY 48 17.452 -10.241 -1.230 449 1HA GLY 48 1HA GLY 48 15.831 -8.891 -2.859 450 2HA GLY 48 2HA GLY 48 15.230 -9.864 -1.531 451 HA PRO 49 HA PRO 49 15.162 -5.233 -0.396 452 1HB PRO 49 2HB PRO 49 14.776 -3.517 -2.489 453 2HB PRO 49 3HB PRO 49 16.348 -3.821 -1.777 454 1HG PRO 49 2HG PRO 49 15.255 -4.799 -4.344 455 2HG PRO 49 3HG PRO 49 16.925 -4.730 -3.816 456 1HD PRO 49 2HD PRO 49 15.255 -7.059 -3.928 457 2HD PRO 49 3HD PRO 49 16.886 -6.968 -3.292 458 H ARG 50 HN ARG 50 13.328 -4.860 0.667 459 HA ARG 50 HA ARG 50 10.987 -4.688 -0.995 460 1HB ARG 50 2HB ARG 50 11.237 -7.114 -0.188 461 2HB ARG 50 3HB ARG 50 11.045 -6.524 1.451 462 1HG ARG 50 2HG ARG 50 8.853 -7.209 0.770 463 2HG ARG 50 3HG ARG 50 8.831 -5.458 0.693 464 1HD ARG 50 2HD ARG 50 9.478 -5.712 -1.812 465 2HD ARG 50 3HD ARG 50 9.097 -7.413 -1.631 466 HE ARG 50 HE ARG 50 7.183 -5.172 -1.608 467 1HH1 ARG 50 2HH2 ARG 50 7.717 -8.573 -0.884 468 2HH1 ARG 50 1HH2 ARG 50 6.034 -8.978 -0.921 469 1HH2 ARG 50 2HH1 ARG 50 4.961 -5.705 -1.657 470 2HH2 ARG 50 1HH1 ARG 50 4.454 -7.334 -1.363 471 HA PRO 51 HA PRO 51 10.302 -1.585 2.016 472 1HB PRO 51 2HB PRO 51 7.840 -0.725 1.202 473 2HB PRO 51 3HB PRO 51 9.335 -0.189 0.461 474 1HG PRO 51 2HG PRO 51 7.336 -2.107 -0.574 475 2HG PRO 51 3HG PRO 51 8.587 -1.245 -1.448 476 1HD PRO 51 2HD PRO 51 8.632 -4.003 -0.662 477 2HD PRO 51 3HD PRO 51 9.929 -3.112 -1.433 478 H GLN 52 HN GLN 52 9.051 -0.966 3.893 479 HA GLN 52 HA GLN 52 8.228 -1.696 5.795 480 1HB GLN 52 2HB GLN 52 5.991 -2.447 3.866 481 2HB GLN 52 3HB GLN 52 5.788 -2.412 5.606 482 1HG GLN 52 2HG GLN 52 6.328 -0.023 5.689 483 2HG GLN 52 3HG GLN 52 6.781 -0.016 3.996 484 1HE2 GLN 52 1HE2 GLN 52 4.299 0.342 6.261 485 2HE2 GLN 52 2HE2 GLN 52 2.939 0.474 5.195 486 H THR 53 HN THR 53 10.003 -3.416 5.834 487 HA THR 53 HA THR 53 8.722 -6.007 6.217 488 HB THR 53 HB THR 53 10.950 -5.360 4.244 489 HG1 THR 53 HG1 THR 53 8.630 -5.601 3.658 490 1HG2 THR 53 1HG2 THR 53 10.871 -8.046 4.119 491 2HG2 THR 53 2HG2 THR 53 12.015 -7.222 5.206 492 3HG2 THR 53 3HG2 THR 53 10.493 -7.881 5.850 493 H SER 54 HN SER 54 8.923 -5.379 8.461 494 HA SER 54 HA SER 54 11.455 -6.230 9.448 495 1HB SER 54 2HB SER 54 10.568 -3.360 9.636 496 2HB SER 54 3HB SER 54 11.361 -4.057 11.036 497 HG SER 54 HG SER 54 12.524 -3.088 8.828 498 H LEU 55 HN LEU 55 11.290 -6.983 11.650 499 HA LEU 55 HA LEU 55 8.733 -6.579 12.969 500 1HB LEU 55 2HB LEU 55 9.205 -8.850 11.423 501 2HB LEU 55 3HB LEU 55 9.517 -9.373 13.067 502 HG LEU 55 HG LEU 55 6.977 -7.948 12.243 503 1HD1 LEU 55 1HD1 LEU 55 7.256 -10.056 10.971 504 2HD1 LEU 55 2HD1 LEU 55 7.389 -10.938 12.512 505 3HD1 LEU 55 3HD1 LEU 55 5.879 -10.092 12.097 506 1HD2 LEU 55 1HD2 LEU 55 7.461 -9.710 14.651 507 2HD2 LEU 55 2HD2 LEU 55 7.694 -7.946 14.671 508 3HD2 LEU 55 3HD2 LEU 55 6.085 -8.627 14.328 509 H LEU 56 HN LEU 56 11.765 -8.580 13.177 510 HA LEU 56 HA LEU 56 13.066 -9.007 14.932 511 1HB LEU 56 2HB LEU 56 13.899 -6.866 14.083 512 2HB LEU 56 3HB LEU 56 12.850 -6.004 15.191 513 HG LEU 56 HG LEU 56 14.674 -7.965 16.456 514 1HD1 LEU 56 1HD1 LEU 56 16.687 -6.848 16.146 515 2HD1 LEU 56 2HD1 LEU 56 15.967 -6.843 14.518 516 3HD1 LEU 56 3HD1 LEU 56 15.897 -5.378 15.525 517 1HD2 LEU 56 1HD2 LEU 56 13.211 -5.573 17.140 518 2HD2 LEU 56 2HD2 LEU 56 13.971 -6.786 18.198 519 3HD2 LEU 56 3HD2 LEU 56 14.925 -5.409 17.594 Start of MODEL 10 1 1H5* C 504 1H5* C 504 37.614 -6.239 -3.441 2 2H5* C 504 2H5* C 504 36.749 -5.865 -1.950 3 H4* C 504 H4* C 504 36.143 -8.561 -2.677 4 H3* C 504 H3* C 504 36.143 -6.666 -5.001 5 H2* C 504 H2* C 504 34.053 -7.469 -5.732 6 2HO* C 504 2HO* C 504 33.872 -9.602 -5.388 7 H1* C 504 H1* C 504 32.650 -7.003 -3.685 8 1H4 C 504 1H4 C 504 35.523 -1.261 -2.567 9 2H4 C 504 2H4 C 504 35.729 -1.276 -4.305 10 H5 C 504 H5 C 504 35.268 -3.147 -5.669 11 H6 C 504 H6 C 504 34.490 -5.491 -5.701 12 1H5* C 505 1H5* C 505 39.985 -7.005 -7.007 13 2H5* C 505 2H5* C 505 38.941 -5.829 -7.805 14 H4* C 505 H4* C 505 39.853 -8.132 -8.929 15 H3* C 505 H3* C 505 37.509 -6.373 -9.578 16 H2* C 505 H2* C 505 36.831 -7.872 -11.288 17 2HO* C 505 2HO* C 505 38.541 -9.833 -11.276 18 H1* C 505 H1* C 505 37.157 -10.140 -9.627 19 1H4 C 505 1H4 C 505 30.898 -8.879 -9.463 20 2H4 C 505 2H4 C 505 31.191 -7.653 -8.251 21 H5 C 505 H5 C 505 33.344 -6.995 -7.539 22 H6 C 505 H6 C 505 35.771 -7.358 -7.817 23 1H5* U 506 1H5* U 506 39.492 -2.544 -10.059 24 2H5* U 506 2H5* U 506 38.355 -2.454 -8.713 25 H4* U 506 H4* U 506 37.362 -1.620 -10.772 26 H3* U 506 H3* U 506 36.166 -4.171 -9.671 27 H2* U 506 H2* U 506 34.447 -3.980 -11.257 28 2HO* U 506 2HO* U 506 35.216 -1.503 -12.259 29 H1* U 506 H1* U 506 36.322 -2.919 -13.222 30 H3 U 506 H3 U 506 36.376 -6.580 -15.841 31 H5 U 506 H5 U 506 34.665 -7.982 -12.285 32 H6 U 506 H6 U 506 35.128 -5.779 -11.311 33 1H5* C 507 1H5* C 507 34.599 -0.079 -10.316 34 2H5* C 507 2H5* C 507 34.181 0.314 -8.648 35 H4* C 507 H4* C 507 33.154 1.543 -10.840 36 H3* C 507 H3* C 507 32.184 1.301 -8.021 37 H2* C 507 H2* C 507 30.132 2.365 -8.568 38 2HO* C 507 2HO* C 507 31.427 2.658 -11.125 39 H1* C 507 H1* C 507 29.665 0.752 -10.801 40 1H4 C 507 1H4 C 507 26.617 -2.008 -5.879 41 2H4 C 507 2H4 C 507 28.012 -3.043 -5.669 42 H5 C 507 H5 C 507 30.033 -2.784 -6.862 43 H6 C 507 H6 C 507 31.226 -1.457 -8.569 44 1H5* C 508 1H5* C 508 35.245 5.098 -5.917 45 2H5* C 508 2H5* C 508 33.963 6.165 -6.490 46 H4* C 508 H4* C 508 36.273 7.114 -6.615 47 H3* C 508 H3* C 508 34.537 6.936 -9.072 48 H2* C 508 H2* C 508 36.170 8.147 -10.287 49 2HO* C 508 2HO* C 508 37.397 9.516 -9.100 50 H1* C 508 H1* C 508 38.291 6.610 -9.118 51 1H4 C 508 1H4 C 508 37.966 3.645 -14.729 52 2H4 C 508 2H4 C 508 36.237 3.906 -14.810 53 H5 C 508 H5 C 508 34.987 4.977 -13.118 54 H6 C 508 H6 C 508 35.088 6.072 -10.907 55 1H5* G 509 1H5* G 509 33.976 9.776 -11.048 56 2H5* G 509 2H5* G 509 33.185 10.772 -9.826 57 H4* G 509 H4* G 509 31.801 11.076 -11.628 58 H3* G 509 H3* G 509 30.673 8.751 -10.065 59 H2* G 509 H2* G 509 28.806 8.753 -11.516 60 2HO* G 509 2HO* G 509 28.781 11.098 -11.475 61 H1* G 509 H1* G 509 30.467 9.147 -13.815 62 H8 G 509 H8 G 509 30.059 6.681 -10.912 63 H1 G 509 H1 G 509 30.012 4.048 -16.823 64 1H2 G 509 1H2 G 509 30.375 5.510 -18.232 65 2H2 G 509 2H2 G 509 30.651 7.198 -17.865 66 1H5* U 510 1H5* U 510 27.223 12.367 -7.451 67 2H5* U 510 2H5* U 510 27.605 10.900 -6.552 68 H4* U 510 H4* U 510 25.269 10.986 -6.616 69 H3* U 510 H3* U 510 26.290 9.072 -8.719 70 H2* U 510 H2* U 510 24.058 8.409 -9.119 71 2HO* U 510 2HO* U 510 22.702 9.879 -7.320 72 H1* U 510 H1* U 510 23.137 11.132 -8.917 73 H3 U 510 H3 U 510 21.818 10.264 -13.132 74 H5 U 510 H5 U 510 25.988 9.957 -13.361 75 H6 U 510 H6 U 510 26.046 10.254 -10.927 76 1H ALA 1 HN ALA 1 81.246 -18.473 -11.131 77 HA ALA 1 HA ALA 1 80.377 -16.554 -12.007 78 1HB ALA 1 1HB ALA 1 78.689 -16.537 -13.562 79 2HB ALA 1 2HB ALA 1 79.106 -18.265 -13.662 80 3HB ALA 1 3HB ALA 1 77.718 -17.740 -12.680 81 H THR 2 HN THR 2 78.328 -15.139 -11.343 82 HA THR 2 HA THR 2 77.106 -16.130 -8.896 83 HB THR 2 HB THR 2 79.391 -15.077 -8.342 84 HG1 THR 2 HG1 THR 2 76.804 -13.945 -7.561 85 1HG2 THR 2 1HG2 THR 2 77.999 -12.419 -8.699 86 2HG2 THR 2 2HG2 THR 2 79.741 -12.772 -8.614 87 3HG2 THR 2 3HG2 THR 2 78.835 -13.116 -10.107 88 H VAL 3 HN VAL 3 75.003 -15.683 -8.965 89 HA VAL 3 HA VAL 3 74.223 -13.319 -10.530 90 HB VAL 3 HB VAL 3 73.647 -15.515 -11.534 91 1HG1 VAL 3 1HG1 VAL 3 71.996 -15.826 -9.008 92 2HG1 VAL 3 2HG1 VAL 3 71.767 -16.803 -10.478 93 3HG1 VAL 3 3HG1 VAL 3 73.305 -16.882 -9.587 94 1HG2 VAL 3 1HG2 VAL 3 72.307 -13.398 -11.868 95 2HG2 VAL 3 2HG2 VAL 3 71.418 -14.913 -12.152 96 3HG2 VAL 3 3HG2 VAL 3 71.173 -14.007 -10.639 97 H VAL 4 HN VAL 4 72.088 -12.348 -9.773 98 HA VAL 4 HA VAL 4 71.662 -12.781 -6.916 99 HB VAL 4 HB VAL 4 71.646 -10.356 -6.543 100 1HG1 VAL 4 1HG1 VAL 4 73.864 -10.288 -6.059 101 2HG1 VAL 4 2HG1 VAL 4 73.786 -12.000 -6.540 102 3HG1 VAL 4 3HG1 VAL 4 74.352 -10.775 -7.701 103 1HG2 VAL 4 1HG2 VAL 4 72.745 -8.882 -8.264 104 2HG2 VAL 4 2HG2 VAL 4 72.600 -10.228 -9.419 105 3HG2 VAL 4 3HG2 VAL 4 71.137 -9.493 -8.720 106 H SER 5 HN SER 5 69.549 -11.868 -6.183 107 HA SER 5 HA SER 5 67.733 -10.870 -8.031 108 1HB SER 5 2HB SER 5 68.082 -13.536 -8.516 109 2HB SER 5 3HB SER 5 66.822 -13.624 -7.301 110 HG SER 5 HG SER 5 66.659 -11.943 -9.654 111 H GLY 6 HN GLY 6 66.009 -9.963 -6.879 112 1HA GLY 6 1HA GLY 6 65.632 -10.905 -4.102 113 2HA GLY 6 2HA GLY 6 65.821 -9.204 -4.481 114 H GLN 7 HN GLN 7 64.233 -8.231 -6.097 115 HA GLN 7 HA GLN 7 61.933 -9.583 -6.809 116 1HB GLN 7 2HB GLN 7 61.889 -9.041 -4.077 117 2HB GLN 7 3HB GLN 7 61.006 -7.682 -4.741 118 1HG GLN 7 2HG GLN 7 59.232 -8.982 -5.403 119 2HG GLN 7 3HG GLN 7 60.263 -10.288 -5.956 120 1HE2 GLN 7 1HE2 GLN 7 61.381 -11.559 -4.249 121 2HE2 GLN 7 2HE2 GLN 7 60.509 -11.952 -2.804 122 H LYS 8 HN LYS 8 60.722 -8.314 -8.266 123 HA LYS 8 HA LYS 8 60.785 -5.495 -8.211 124 1HB LYS 8 2HB LYS 8 63.093 -6.647 -9.336 125 2HB LYS 8 3HB LYS 8 62.117 -6.150 -10.704 126 1HG LYS 8 2HG LYS 8 62.513 -4.270 -8.352 127 2HG LYS 8 3HG LYS 8 63.750 -4.408 -9.586 128 1HD LYS 8 2HD LYS 8 61.518 -4.130 -11.168 129 2HD LYS 8 3HD LYS 8 61.018 -3.210 -9.763 130 1HE LYS 8 2HE LYS 8 62.146 -1.697 -11.315 131 2HE LYS 8 3HE LYS 8 63.153 -1.883 -9.894 132 1HZ LYS 8 1HZ LYS 8 63.890 -2.357 -12.459 133 2HZ LYS 8 2HZ LYS 8 64.733 -2.775 -11.124 134 3HZ LYS 8 3HZ LYS 8 63.729 -3.855 -11.828 135 H GLN 9 HN GLN 9 58.719 -5.133 -8.797 136 HA GLN 9 HA GLN 9 57.805 -5.771 -11.313 137 1HB GLN 9 2HB GLN 9 57.771 -8.086 -9.934 138 2HB GLN 9 3HB GLN 9 56.241 -7.449 -9.366 139 1HG GLN 9 2HG GLN 9 55.455 -7.165 -11.702 140 2HG GLN 9 3HG GLN 9 57.008 -7.700 -12.314 141 1HE2 GLN 9 1HE2 GLN 9 57.414 -9.793 -12.569 142 2HE2 GLN 9 2HE2 GLN 9 56.376 -11.099 -12.099 143 H ASP 10 HN ASP 10 55.447 -5.129 -11.586 144 HA ASP 10 HA ASP 10 53.811 -3.746 -11.256 145 1HB ASP 10 2HB ASP 10 54.404 -4.537 -8.395 146 2HB ASP 10 3HB ASP 10 53.237 -3.264 -8.693 147 H ARG 11 HN ARG 11 53.344 -1.423 -10.687 148 HA ARG 11 HA ARG 11 54.992 0.087 -9.104 149 1HB ARG 11 2HB ARG 11 56.602 -0.567 -11.085 150 2HB ARG 11 3HB ARG 11 55.674 0.581 -12.030 151 1HG ARG 11 2HG ARG 11 56.979 2.229 -11.183 152 2HG ARG 11 3HG ARG 11 56.219 1.959 -9.627 153 1HD ARG 11 2HD ARG 11 58.655 0.398 -10.615 154 2HD ARG 11 3HD ARG 11 58.759 1.817 -9.590 155 HE ARG 11 HE ARG 11 57.024 0.255 -8.166 156 1HH1 ARG 11 2HH2 ARG 11 60.129 -0.462 -9.657 157 2HH1 ARG 11 1HH2 ARG 11 60.545 -1.686 -8.505 158 1HH2 ARG 11 2HH1 ARG 11 57.570 -1.362 -6.646 159 2HH2 ARG 11 1HH1 ARG 11 59.079 -2.201 -6.781 160 H GLN 12 HN GLN 12 53.199 1.324 -8.537 161 HA GLN 12 HA GLN 12 52.009 2.835 -10.716 162 1HB GLN 12 2HB GLN 12 50.538 1.278 -8.557 163 2HB GLN 12 3HB GLN 12 49.774 2.593 -9.429 164 1HG GLN 12 2HG GLN 12 51.055 0.907 -11.380 165 2HG GLN 12 3HG GLN 12 50.174 -0.141 -10.287 166 1HE2 GLN 12 1HE2 GLN 12 49.947 1.436 -13.086 167 2HE2 GLN 12 2HE2 GLN 12 48.251 1.770 -13.184 168 H GLY 13 HN GLY 13 51.234 4.961 -10.107 169 1HA GLY 13 1HA GLY 13 51.579 5.818 -7.355 170 2HA GLY 13 2HA GLY 13 52.740 6.475 -8.493 171 H GLY 14 HN GLY 14 49.155 5.857 -8.303 172 1HA GLY 14 1HA GLY 14 47.793 7.916 -8.198 173 2HA GLY 14 2HA GLY 14 48.762 8.525 -9.525 174 H GLU 15 HN GLU 15 45.805 7.232 -8.839 175 HA GLU 15 HA GLU 15 45.673 5.448 -11.082 176 1HB GLU 15 2HB GLU 15 43.672 6.360 -8.985 177 2HB GLU 15 3HB GLU 15 43.179 5.388 -10.357 178 1HG GLU 15 2HG GLU 15 44.286 3.493 -9.601 179 2HG GLU 15 3HG GLU 15 45.584 4.409 -8.862 180 H ARG 16 HN ARG 16 44.988 5.987 -13.126 181 HA ARG 16 HA ARG 16 44.811 8.591 -13.877 182 1HB ARG 16 2HB ARG 16 43.627 6.095 -15.188 183 2HB ARG 16 3HB ARG 16 43.721 7.646 -15.996 184 1HG ARG 16 2HG ARG 16 46.302 7.478 -15.217 185 2HG ARG 16 3HG ARG 16 45.944 5.762 -15.233 186 1HD ARG 16 2HD ARG 16 45.577 5.711 -17.549 187 2HD ARG 16 3HD ARG 16 45.062 7.385 -17.618 188 HE ARG 16 HE ARG 16 47.837 6.396 -17.694 189 1HH1 ARG 16 2HH2 ARG 16 45.732 9.180 -17.249 190 2HH1 ARG 16 1HH2 ARG 16 46.967 10.336 -17.621 191 1HH2 ARG 16 2HH1 ARG 16 49.468 7.920 -18.185 192 2HH2 ARG 16 1HH1 ARG 16 49.107 9.613 -18.157 193 H ARG 17 HN ARG 17 42.819 9.668 -14.988 194 HA ARG 17 HA ARG 17 40.577 9.285 -13.190 195 1HB ARG 17 2HB ARG 17 41.929 11.594 -13.924 196 2HB ARG 17 3HB ARG 17 40.571 11.634 -15.031 197 1HG ARG 17 2HG ARG 17 39.642 12.730 -13.191 198 2HG ARG 17 3HG ARG 17 39.136 11.084 -12.864 199 1HD ARG 17 2HD ARG 17 40.325 11.045 -10.927 200 2HD ARG 17 3HD ARG 17 41.800 11.473 -11.770 201 HE ARG 17 HE ARG 17 39.985 13.313 -10.361 202 1HH1 ARG 17 2HH2 ARG 17 42.606 13.015 -12.691 203 2HH1 ARG 17 1HH2 ARG 17 43.133 14.654 -12.499 204 1HH2 ARG 17 2HH1 ARG 17 40.682 15.475 -10.108 205 2HH2 ARG 17 1HH1 ARG 17 42.032 16.062 -11.020 206 H ARG 18 HN ARG 18 39.318 7.662 -14.177 207 HA ARG 18 HA ARG 18 38.106 6.640 -15.654 208 1HB ARG 18 2HB ARG 18 37.503 9.472 -16.649 209 2HB ARG 18 3HB ARG 18 36.524 8.060 -16.995 210 1HG ARG 18 2HG ARG 18 35.868 7.809 -14.698 211 2HG ARG 18 3HG ARG 18 37.143 8.867 -14.128 212 1HD ARG 18 2HD ARG 18 35.268 10.129 -16.077 213 2HD ARG 18 3HD ARG 18 34.530 9.660 -14.558 214 HE ARG 18 HE ARG 18 36.920 10.947 -13.840 215 1HH1 ARG 18 2HH2 ARG 18 34.009 11.801 -15.623 216 2HH1 ARG 18 1HH2 ARG 18 34.094 13.481 -15.209 217 1HH2 ARG 18 2HH1 ARG 18 37.033 13.162 -13.294 218 2HH2 ARG 18 1HH1 ARG 18 35.827 14.261 -13.875 219 H SER 19 HN SER 19 40.843 6.796 -16.421 220 HA SER 19 HA SER 19 41.606 7.803 -18.716 221 1HB SER 19 2HB SER 19 42.525 5.788 -17.110 222 2HB SER 19 3HB SER 19 42.111 4.862 -18.539 223 HG SER 19 HG SER 19 43.793 5.685 -19.584 224 H GLN 20 HN GLN 20 40.135 4.468 -18.672 225 HA GLN 20 HA GLN 20 39.131 5.067 -21.340 226 1HB GLN 20 2HB GLN 20 40.743 3.018 -20.677 227 2HB GLN 20 3HB GLN 20 39.219 2.258 -20.263 228 1HG GLN 20 2HG GLN 20 38.344 2.771 -22.554 229 2HG GLN 20 3HG GLN 20 39.870 3.526 -22.967 230 1HE2 GLN 20 1HE2 GLN 20 41.371 2.340 -23.873 231 2HE2 GLN 20 2HE2 GLN 20 41.470 0.610 -23.889 232 H LEU 21 HN LEU 21 37.619 6.247 -19.421 233 HA LEU 21 HA LEU 21 35.255 4.529 -19.384 234 1HB LEU 21 2HB LEU 21 36.323 4.329 -17.195 235 2HB LEU 21 3HB LEU 21 36.316 6.072 -17.013 236 HG LEU 21 HG LEU 21 34.473 4.521 -15.902 237 1HD1 LEU 21 1HD1 LEU 21 32.860 6.620 -16.389 238 2HD1 LEU 21 2HD1 LEU 21 34.232 6.672 -15.256 239 3HD1 LEU 21 3HD1 LEU 21 34.417 7.311 -16.908 240 1HD2 LEU 21 1HD2 LEU 21 33.009 5.259 -18.429 241 2HD2 LEU 21 2HD2 LEU 21 33.835 3.692 -18.255 242 3HD2 LEU 21 3HD2 LEU 21 32.529 4.140 -17.132 243 H ASP 22 HN ASP 22 34.116 5.612 -20.949 244 HA ASP 22 HA ASP 22 34.190 8.469 -20.957 245 1HB ASP 22 2HB ASP 22 33.082 6.286 -22.692 246 2HB ASP 22 3HB ASP 22 32.246 7.824 -22.767 247 H ARG 23 HN ARG 23 31.826 9.544 -21.302 248 HA ARG 23 HA ARG 23 30.449 9.068 -18.921 249 1HB ARG 23 2HB ARG 23 30.651 11.240 -20.417 250 2HB ARG 23 3HB ARG 23 29.272 10.588 -21.278 251 1HG ARG 23 2HG ARG 23 28.600 12.158 -19.444 252 2HG ARG 23 3HG ARG 23 27.922 10.556 -19.236 253 1HD ARG 23 2HD ARG 23 29.110 10.163 -17.310 254 2HD ARG 23 3HD ARG 23 30.581 10.864 -17.957 255 HE ARG 23 HE ARG 23 29.040 13.095 -17.592 256 1HH1 ARG 23 2HH2 ARG 23 29.756 10.376 -15.476 257 2HH1 ARG 23 1HH2 ARG 23 29.604 11.305 -14.021 258 1HH2 ARG 23 2HH1 ARG 23 28.839 14.320 -15.674 259 2HH2 ARG 23 1HH1 ARG 23 29.079 13.563 -14.135 260 H ASP 24 HN ASP 24 30.517 7.268 -21.735 261 HA ASP 24 HA ASP 24 27.806 6.329 -21.240 262 1HB ASP 24 2HB ASP 24 27.643 5.803 -23.692 263 2HB ASP 24 3HB ASP 24 27.751 7.521 -23.364 264 H GLN 25 HN GLN 25 30.627 5.541 -20.336 265 HA GLN 25 HA GLN 25 30.660 2.885 -21.544 266 1HB GLN 25 2HB GLN 25 32.684 4.525 -21.883 267 2HB GLN 25 3HB GLN 25 33.074 4.149 -20.215 268 1HG GLN 25 2HG GLN 25 32.688 1.617 -21.123 269 2HG GLN 25 3HG GLN 25 33.154 2.368 -22.635 270 1HE2 GLN 25 1HE2 GLN 25 35.180 3.349 -22.852 271 2HE2 GLN 25 2HE2 GLN 25 36.513 2.970 -21.813 272 H CYS 26 HN CYS 26 30.873 1.068 -20.137 273 HA CYS 26 HA CYS 26 29.796 1.492 -17.563 274 1HB CYS 26 2HB CYS 26 29.274 -0.520 -18.845 275 2HB CYS 26 3HB CYS 26 30.959 -1.002 -18.846 276 H ALA 27 HN ALA 27 30.876 1.789 -15.622 277 HA ALA 27 HA ALA 27 33.793 1.783 -15.765 278 1HB ALA 27 1HB ALA 27 33.543 3.064 -13.597 279 2HB ALA 27 2HB ALA 27 32.816 3.856 -15.015 280 3HB ALA 27 3HB ALA 27 31.782 3.007 -13.841 281 H TYR 28 HN TYR 28 32.303 -0.744 -15.736 282 HA TYR 28 HA TYR 28 33.263 -1.735 -13.140 283 1HB TYR 28 2HB TYR 28 30.655 -1.459 -13.631 284 2HB TYR 28 3HB TYR 28 30.873 -2.786 -14.754 285 HD1 TYR 28 HD1 TYR 28 30.765 -1.819 -11.216 286 HD2 TYR 28 HD2 TYR 28 31.351 -5.057 -13.949 287 HE1 TYR 28 HE1 TYR 28 30.464 -3.484 -9.319 288 HE2 TYR 28 HE2 TYR 28 31.048 -6.711 -12.043 289 HH TYR 28 HH TYR 28 30.414 -6.960 -9.963 290 H CYS 29 HN CYS 29 31.964 -2.945 -16.321 291 HA CYS 29 HA CYS 29 34.007 -5.001 -16.244 292 1HB CYS 29 2HB CYS 29 32.768 -6.017 -18.106 293 2HB CYS 29 3HB CYS 29 31.731 -5.729 -16.723 294 H LYS 30 HN LYS 30 33.283 -1.869 -17.592 295 HA LYS 30 HA LYS 30 34.647 -0.534 -18.766 296 1HB LYS 30 2HB LYS 30 36.405 -2.613 -18.219 297 2HB LYS 30 3HB LYS 30 36.443 -2.512 -19.967 298 1HG LYS 30 2HG LYS 30 37.761 -0.677 -19.825 299 2HG LYS 30 3HG LYS 30 36.460 0.186 -19.026 300 1HD LYS 30 2HD LYS 30 37.617 -1.566 -17.067 301 2HD LYS 30 3HD LYS 30 38.949 -0.785 -17.895 302 1HE LYS 30 2HE LYS 30 38.477 1.259 -16.980 303 2HE LYS 30 3HE LYS 30 36.758 1.100 -17.281 304 1HZ LYS 30 1HZ LYS 30 37.043 -0.656 -15.360 305 2HZ LYS 30 2HZ LYS 30 38.277 0.336 -14.954 306 3HZ LYS 30 3HZ LYS 30 36.757 0.923 -15.060 307 H GLU 31 HN GLU 31 32.242 -2.161 -19.578 308 HA GLU 31 HA GLU 31 32.755 -2.384 -22.422 309 1HB GLU 31 2HB GLU 31 30.405 -3.282 -20.699 310 2HB GLU 31 3HB GLU 31 30.444 -3.450 -22.443 311 1HG GLU 31 2HG GLU 31 32.365 -4.933 -22.349 312 2HG GLU 31 3HG GLU 31 32.639 -4.581 -20.655 313 H LYS 32 HN LYS 32 31.973 -0.904 -23.893 314 HA LYS 32 HA LYS 32 30.617 1.399 -22.791 315 1HB LYS 32 2HB LYS 32 31.207 2.501 -24.797 316 2HB LYS 32 3HB LYS 32 32.596 1.531 -24.352 317 1HG LYS 32 2HG LYS 32 30.504 0.366 -26.209 318 2HG LYS 32 3HG LYS 32 31.688 1.490 -26.847 319 1HD LYS 32 2HD LYS 32 33.209 -0.297 -25.271 320 2HD LYS 32 3HD LYS 32 32.029 -1.322 -26.063 321 1HE LYS 32 2HE LYS 32 33.254 -1.222 -27.967 322 2HE LYS 32 3HE LYS 32 32.925 0.496 -28.068 323 1HZ LYS 32 1HZ LYS 32 34.959 -0.211 -26.182 324 2HZ LYS 32 2HZ LYS 32 35.340 -0.544 -27.734 325 3HZ LYS 32 3HZ LYS 32 34.942 0.978 -27.300 326 H GLY 33 HN GLY 33 28.519 2.058 -23.265 327 1HA GLY 33 1HA GLY 33 26.682 1.779 -24.923 328 2HA GLY 33 2HA GLY 33 26.893 0.052 -24.710 329 H HIS 34 HN HIS 34 27.418 0.024 -21.851 330 HA HIS 34 HA HIS 34 24.853 1.026 -20.853 331 1HB HIS 34 2HB HIS 34 24.532 -0.978 -19.588 332 2HB HIS 34 3HB HIS 34 24.798 -1.418 -21.263 333 HD1 HIS 34 HD1 HIS 34 26.795 -2.921 -21.802 334 HD2 HIS 34 HD2 HIS 34 26.756 -1.579 -17.828 335 HE1 HIS 34 HE1 HIS 34 28.601 -4.247 -20.582 336 H TRP 35 HN TRP 35 24.853 1.235 -18.385 337 HA TRP 35 HA TRP 35 27.431 2.383 -17.623 338 1HB TRP 35 2HB TRP 35 24.591 2.936 -16.975 339 2HB TRP 35 3HB TRP 35 25.742 3.150 -15.670 340 HD1 TRP 35 HD1 TRP 35 26.022 4.164 -19.448 341 HE1 TRP 35 HE1 TRP 35 26.710 6.702 -19.668 342 HE3 TRP 35 HE3 TRP 35 26.092 5.119 -14.455 343 HZ2 TRP 35 HZ2 TRP 35 27.196 8.777 -17.771 344 HZ3 TRP 35 HZ3 TRP 35 26.683 7.427 -13.722 345 HH2 TRP 35 HH2 TRP 35 27.223 9.225 -15.289 346 H ALA 36 HN ALA 36 28.103 2.009 -15.285 347 HA ALA 36 HA ALA 36 28.306 -0.716 -14.775 348 1HB ALA 36 1HB ALA 36 28.671 1.683 -12.935 349 2HB ALA 36 2HB ALA 36 29.272 0.039 -12.616 350 3HB ALA 36 3HB ALA 36 29.912 0.969 -13.992 351 H LYS 37 HN LYS 37 25.969 1.772 -13.689 352 HA LYS 37 HA LYS 37 24.807 0.211 -11.661 353 1HB LYS 37 2HB LYS 37 24.040 2.676 -13.191 354 2HB LYS 37 3HB LYS 37 22.835 1.879 -12.201 355 1HG LYS 37 2HG LYS 37 23.711 3.075 -10.468 356 2HG LYS 37 3HG LYS 37 25.012 1.902 -10.486 357 1HD LYS 37 2HD LYS 37 26.041 3.481 -12.361 358 2HD LYS 37 3HD LYS 37 24.955 4.681 -11.688 359 1HE LYS 37 2HE LYS 37 26.538 3.149 -9.671 360 2HE LYS 37 3HE LYS 37 27.488 4.174 -10.729 361 1HZ LYS 37 1HZ LYS 37 26.563 5.213 -8.663 362 2HZ LYS 37 2HZ LYS 37 26.307 6.040 -10.048 363 3HZ LYS 37 3HZ LYS 37 25.094 5.178 -9.374 364 H ASP 38 HN ASP 38 24.864 -0.141 -15.069 365 HA ASP 38 HA ASP 38 22.556 -1.904 -14.849 366 1HB ASP 38 2HB ASP 38 22.543 0.372 -16.356 367 2HB ASP 38 3HB ASP 38 23.256 -0.727 -17.521 368 H CYS 39 HN CYS 39 25.502 -2.360 -14.495 369 HA CYS 39 HA CYS 39 26.581 -3.416 -16.862 370 1HB CYS 39 2HB CYS 39 27.932 -2.667 -14.912 371 2HB CYS 39 3HB CYS 39 27.339 -4.033 -13.987 372 HA PRO 40 HA PRO 40 24.261 -7.141 -16.762 373 1HB PRO 40 2HB PRO 40 25.306 -8.299 -19.006 374 2HB PRO 40 3HB PRO 40 23.997 -7.136 -19.050 375 1HG PRO 40 2HG PRO 40 26.841 -6.751 -19.757 376 2HG PRO 40 3HG PRO 40 25.460 -5.762 -20.186 377 1HD PRO 40 2HD PRO 40 27.424 -5.189 -18.176 378 2HD PRO 40 3HD PRO 40 25.981 -4.259 -18.525 379 H LYS 41 HN LYS 41 27.368 -6.713 -15.932 380 HA LYS 41 HA LYS 41 27.771 -9.592 -15.550 381 1HB LYS 41 2HB LYS 41 29.477 -8.258 -16.855 382 2HB LYS 41 3HB LYS 41 29.838 -7.384 -15.379 383 1HG LYS 41 2HG LYS 41 29.892 -10.085 -14.579 384 2HG LYS 41 3HG LYS 41 30.623 -10.112 -16.172 385 1HD LYS 41 2HD LYS 41 32.529 -9.563 -15.009 386 2HD LYS 41 3HD LYS 41 31.904 -7.933 -15.164 387 1HE LYS 41 2HE LYS 41 32.328 -8.067 -12.853 388 2HE LYS 41 3HE LYS 41 30.619 -8.446 -12.926 389 1HZ LYS 41 1HZ LYS 41 31.512 -10.112 -11.648 390 2HZ LYS 41 2HZ LYS 41 31.424 -10.835 -13.110 391 3HZ LYS 41 3HZ LYS 41 32.858 -10.281 -12.558 392 H LYS 42 HN LYS 42 26.847 -6.651 -14.011 393 HA LYS 42 HA LYS 42 27.960 -6.922 -11.502 394 1HB LYS 42 2HB LYS 42 25.751 -5.467 -12.748 395 2HB LYS 42 3HB LYS 42 25.414 -5.881 -11.080 396 1HG LYS 42 2HG LYS 42 27.686 -4.938 -10.445 397 2HG LYS 42 3HG LYS 42 27.891 -4.417 -12.106 398 1HD LYS 42 2HD LYS 42 25.781 -3.053 -11.914 399 2HD LYS 42 3HD LYS 42 25.638 -3.539 -10.237 400 1HE LYS 42 2HE LYS 42 27.995 -2.558 -9.873 401 2HE LYS 42 3HE LYS 42 27.875 -1.881 -11.485 402 1HZ LYS 42 1HZ LYS 42 26.944 -0.208 -10.364 403 2HZ LYS 42 2HZ LYS 42 25.579 -1.100 -10.449 404 3HZ LYS 42 3HZ LYS 42 26.485 -1.121 -9.090 405 HA PRO 43 HA PRO 43 25.996 -10.361 -9.790 406 1HB PRO 43 2HB PRO 43 26.137 -9.807 -7.117 407 2HB PRO 43 3HB PRO 43 27.488 -10.437 -8.037 408 1HG PRO 43 2HG PRO 43 27.043 -7.690 -7.043 409 2HG PRO 43 3HG PRO 43 28.536 -8.435 -7.577 410 1HD PRO 43 2HD PRO 43 26.929 -6.568 -9.046 411 2HD PRO 43 3HD PRO 43 28.359 -7.401 -9.623 412 H ARG 44 HN ARG 44 24.856 -7.350 -8.349 413 HA ARG 44 HA ARG 44 22.193 -8.413 -8.759 414 1HB ARG 44 2HB ARG 44 21.473 -7.551 -6.534 415 2HB ARG 44 3HB ARG 44 22.723 -8.766 -6.361 416 1HG ARG 44 2HG ARG 44 24.442 -7.041 -6.040 417 2HG ARG 44 3HG ARG 44 23.294 -5.768 -6.401 418 1HD ARG 44 2HD ARG 44 22.662 -5.695 -4.223 419 2HD ARG 44 3HD ARG 44 22.149 -7.368 -4.299 420 HE ARG 44 HE ARG 44 24.865 -7.638 -4.043 421 1HH1 ARG 44 2HH2 ARG 44 22.508 -5.729 -2.258 422 2HH1 ARG 44 1HH2 ARG 44 23.401 -5.778 -0.776 423 1HH2 ARG 44 2HH1 ARG 44 26.044 -7.702 -2.087 424 2HH2 ARG 44 1HH1 ARG 44 25.426 -6.908 -0.677 425 H GLY 45 HN GLY 45 20.557 -6.735 -9.102 426 1HA GLY 45 1HA GLY 45 20.544 -4.116 -8.778 427 2HA GLY 45 2HA GLY 45 21.724 -4.236 -10.067 428 HA PRO 46 HA PRO 46 20.756 -2.455 -10.553 429 1HB PRO 46 2HB PRO 46 18.961 -0.478 -11.133 430 2HB PRO 46 3HB PRO 46 20.090 -1.122 -12.309 431 1HG PRO 46 2HG PRO 46 17.184 -1.610 -12.070 432 2HG PRO 46 3HG PRO 46 18.234 -1.885 -13.446 433 1HD PRO 46 2HD PRO 46 17.205 -3.870 -11.650 434 2HD PRO 46 3HD PRO 46 18.346 -4.127 -12.954 435 H ARG 47 HN ARG 47 17.330 -2.566 -9.717 436 HA ARG 47 HA ARG 47 18.198 -1.760 -7.056 437 1HB ARG 47 2HB ARG 47 16.603 -0.226 -8.602 438 2HB ARG 47 3HB ARG 47 15.358 -1.290 -7.977 439 1HG ARG 47 2HG ARG 47 17.272 -0.229 -5.938 440 2HG ARG 47 3HG ARG 47 16.236 0.970 -6.686 441 1HD ARG 47 2HD ARG 47 14.483 -1.168 -6.142 442 2HD ARG 47 3HD ARG 47 15.545 -1.144 -4.750 443 HE ARG 47 HE ARG 47 13.611 0.927 -5.510 444 1HH1 ARG 47 2HH2 ARG 47 16.511 0.225 -3.643 445 2HH1 ARG 47 1HH2 ARG 47 16.282 1.548 -2.549 446 1HH2 ARG 47 2HH1 ARG 47 13.308 2.672 -4.068 447 2HH2 ARG 47 1HH1 ARG 47 14.448 2.949 -2.792 448 H GLY 48 HN GLY 48 18.020 -3.483 -5.658 449 1HA GLY 48 1HA GLY 48 16.866 -5.906 -6.167 450 2HA GLY 48 2HA GLY 48 17.125 -5.238 -4.566 451 HA PRO 49 HA PRO 49 12.587 -5.405 -5.677 452 1HB PRO 49 2HB PRO 49 11.826 -7.907 -4.883 453 2HB PRO 49 3HB PRO 49 12.163 -7.492 -6.552 454 1HG PRO 49 2HG PRO 49 13.822 -9.040 -4.656 455 2HG PRO 49 3HG PRO 49 13.924 -8.974 -6.405 456 1HD PRO 49 2HD PRO 49 15.656 -7.660 -4.534 457 2HD PRO 49 3HD PRO 49 15.686 -7.503 -6.279 458 H ARG 50 HN ARG 50 11.798 -4.002 -4.241 459 HA ARG 50 HA ARG 50 11.303 -3.159 -2.306 460 1HB ARG 50 2HB ARG 50 9.898 -5.491 -2.531 461 2HB ARG 50 3HB ARG 50 10.749 -5.828 -1.037 462 1HG ARG 50 2HG ARG 50 9.941 -3.529 -0.197 463 2HG ARG 50 3HG ARG 50 8.909 -3.465 -1.612 464 1HD ARG 50 2HD ARG 50 8.689 -6.037 -0.164 465 2HD ARG 50 3HD ARG 50 8.258 -4.663 0.836 466 HE ARG 50 HE ARG 50 7.059 -4.615 -1.851 467 1HH1 ARG 50 2HH2 ARG 50 6.675 -5.639 1.494 468 2HH1 ARG 50 1HH2 ARG 50 4.950 -5.752 1.395 469 1HH2 ARG 50 2HH1 ARG 50 4.783 -4.765 -1.982 470 2HH2 ARG 50 1HH1 ARG 50 3.866 -5.252 -0.596 471 HA PRO 51 HA PRO 51 15.148 -4.049 -0.182 472 1HB PRO 51 2HB PRO 51 15.818 -1.456 0.362 473 2HB PRO 51 3HB PRO 51 16.317 -2.289 -1.097 474 1HG PRO 51 2HG PRO 51 14.221 -0.230 -0.762 475 2HG PRO 51 3HG PRO 51 15.018 -0.757 -2.232 476 1HD PRO 51 2HD PRO 51 12.374 -1.458 -1.366 477 2HD PRO 51 3HD PRO 51 13.215 -2.074 -2.776 478 H GLN 52 HN GLN 52 12.952 -1.516 0.936 479 HA GLN 52 HA GLN 52 12.119 -1.102 2.897 480 1HB GLN 52 2HB GLN 52 12.387 -4.112 3.066 481 2HB GLN 52 3HB GLN 52 11.804 -3.217 4.455 482 1HG GLN 52 2HG GLN 52 10.539 -2.489 1.844 483 2HG GLN 52 3HG GLN 52 10.190 -4.107 2.419 484 1HE2 GLN 52 1HE2 GLN 52 8.007 -3.173 2.489 485 2HE2 GLN 52 2HE2 GLN 52 7.477 -2.369 3.929 486 H THR 53 HN THR 53 14.209 0.137 3.211 487 HA THR 53 HA THR 53 15.624 -0.954 5.548 488 HB THR 53 HB THR 53 17.706 0.090 4.547 489 HG1 THR 53 HG1 THR 53 17.442 0.959 2.436 490 1HG2 THR 53 1HG2 THR 53 17.473 -1.443 2.271 491 2HG2 THR 53 2HG2 THR 53 17.889 -2.117 3.865 492 3HG2 THR 53 3HG2 THR 53 16.207 -2.173 3.287 493 H SER 54 HN SER 54 15.067 2.055 3.593 494 HA SER 54 HA SER 54 14.662 4.099 4.195 495 1HB SER 54 2HB SER 54 12.875 2.647 5.636 496 2HB SER 54 3HB SER 54 13.729 3.409 6.962 497 HG SER 54 HG SER 54 12.823 5.299 6.493 498 H LEU 55 HN LEU 55 15.500 5.938 5.490 499 HA LEU 55 HA LEU 55 17.770 5.106 7.161 500 1HB LEU 55 2HB LEU 55 18.981 6.997 6.376 501 2HB LEU 55 3HB LEU 55 18.416 6.071 5.000 502 HG LEU 55 HG LEU 55 16.593 8.245 5.777 503 1HD1 LEU 55 1HD1 LEU 55 18.603 9.407 6.382 504 2HD1 LEU 55 2HD1 LEU 55 19.409 8.900 4.877 505 3HD1 LEU 55 3HD1 LEU 55 18.037 10.032 4.815 506 1HD2 LEU 55 1HD2 LEU 55 17.908 7.853 3.101 507 2HD2 LEU 55 2HD2 LEU 55 16.635 6.746 3.667 508 3HD2 LEU 55 3HD2 LEU 55 16.288 8.483 3.488 509 H LEU 56 HN LEU 56 17.853 5.860 9.233 510 HA LEU 56 HA LEU 56 16.272 8.189 9.917 511 1HB LEU 56 2HB LEU 56 15.132 7.036 11.756 512 2HB LEU 56 3HB LEU 56 14.627 6.486 10.170 513 HG LEU 56 HG LEU 56 16.780 4.821 11.163 514 1HD1 LEU 56 1HD1 LEU 56 16.328 4.814 13.352 515 2HD1 LEU 56 2HD1 LEU 56 14.763 5.633 13.131 516 3HD1 LEU 56 3HD1 LEU 56 14.884 3.871 12.911 517 1HD2 LEU 56 1HD2 LEU 56 14.767 4.514 9.434 518 2HD2 LEU 56 2HD2 LEU 56 15.536 3.144 10.271 519 3HD2 LEU 56 3HD2 LEU 56 13.996 3.805 10.872 Start of MODEL 11 1 1H5* C 504 1H5* C 504 37.355 -5.770 -1.788 2 2H5* C 504 2H5* C 504 37.659 -5.216 -3.435 3 H4* C 504 H4* C 504 38.176 -7.658 -2.854 4 H3* C 504 H3* C 504 36.334 -7.286 -5.243 5 H2* C 504 H2* C 504 37.406 -9.247 -5.948 6 2HO* C 504 2HO* C 504 39.478 -8.230 -5.611 7 H1* C 504 H1* C 504 37.308 -10.656 -3.838 8 1H4 C 504 1H4 C 504 31.165 -8.866 -2.596 9 2H4 C 504 2H4 C 504 31.083 -8.749 -4.340 10 H5 C 504 H5 C 504 32.962 -8.916 -5.761 11 H6 C 504 H6 C 504 35.408 -9.239 -5.857 12 1H5* C 505 1H5* C 505 39.639 -8.392 -7.598 13 2H5* C 505 2H5* C 505 39.773 -6.948 -8.601 14 H4* C 505 H4* C 505 39.695 -8.879 -10.017 15 H3* C 505 H3* C 505 37.310 -7.072 -10.102 16 H2* C 505 H2* C 505 36.271 -8.436 -11.752 17 2HO* C 505 2HO* C 505 37.603 -9.750 -12.923 18 H1* C 505 H1* C 505 36.750 -10.801 -10.296 19 1H4 C 505 1H4 C 505 30.743 -9.107 -8.894 20 2H4 C 505 2H4 C 505 31.360 -8.107 -7.598 21 H5 C 505 H5 C 505 33.658 -7.726 -7.210 22 H6 C 505 H6 C 505 35.954 -8.217 -7.977 23 1H5* U 506 1H5* U 506 39.515 -3.351 -10.041 24 2H5* U 506 2H5* U 506 38.294 -3.563 -8.788 25 H4* U 506 H4* U 506 37.628 -2.390 -10.974 26 H3* U 506 H3* U 506 36.015 -4.600 -9.695 27 H2* U 506 H2* U 506 34.381 -4.330 -11.329 28 2HO* U 506 2HO* U 506 35.696 -1.847 -11.950 29 H1* U 506 H1* U 506 36.431 -3.482 -13.275 30 H3 U 506 H3 U 506 35.796 -6.906 -16.103 31 H5 U 506 H5 U 506 34.011 -8.281 -12.573 32 H6 U 506 H6 U 506 34.818 -6.237 -11.486 33 1H5* C 507 1H5* C 507 34.745 -0.422 -10.496 34 2H5* C 507 2H5* C 507 34.498 0.144 -8.844 35 H4* C 507 H4* C 507 33.315 1.250 -10.972 36 H3* C 507 H3* C 507 32.435 1.075 -8.117 37 H2* C 507 H2* C 507 30.367 2.124 -8.632 38 2HO* C 507 2HO* C 507 31.436 3.531 -10.164 39 H1* C 507 H1* C 507 29.860 0.459 -10.827 40 1H4 C 507 1H4 C 507 26.842 -2.130 -5.793 41 2H4 C 507 2H4 C 507 28.220 -3.186 -5.586 42 H5 C 507 H5 C 507 30.225 -2.990 -6.820 43 H6 C 507 H6 C 507 31.410 -1.717 -8.574 44 1H5* C 508 1H5* C 508 35.178 4.912 -6.044 45 2H5* C 508 2H5* C 508 33.470 5.350 -5.989 46 H4* C 508 H4* C 508 34.391 7.426 -6.076 47 H3* C 508 H3* C 508 33.665 6.566 -8.788 48 H2* C 508 H2* C 508 34.974 8.140 -9.942 49 2HO* C 508 2HO* C 508 34.664 9.965 -8.756 50 H1* C 508 H1* C 508 37.310 7.773 -8.662 51 1H4 C 508 1H4 C 508 37.091 1.730 -11.119 52 2H4 C 508 2H4 C 508 36.407 2.568 -12.493 53 H5 C 508 H5 C 508 35.775 4.844 -12.467 54 H6 C 508 H6 C 508 35.643 6.896 -11.099 55 1H5* G 509 1H5* G 509 32.310 10.931 -10.292 56 2H5* G 509 2H5* G 509 30.858 10.569 -9.358 57 H4* G 509 H4* G 509 30.612 11.337 -11.803 58 H3* G 509 H3* G 509 29.145 8.988 -10.604 59 H2* G 509 H2* G 509 27.877 8.826 -12.601 60 2HO* G 509 2HO* G 509 27.808 11.192 -12.682 61 H1* G 509 H1* G 509 30.199 9.172 -14.221 62 H8 G 509 H8 G 509 29.520 6.832 -11.247 63 H1 G 509 H1 G 509 30.029 3.960 -17.024 64 1H2 G 509 1H2 G 509 30.362 5.386 -18.475 65 2H2 G 509 2H2 G 509 30.485 7.104 -18.172 66 1H5* U 510 1H5* U 510 25.955 13.572 -9.112 67 2H5* U 510 2H5* U 510 26.520 12.445 -7.879 68 H4* U 510 H4* U 510 24.348 12.577 -7.255 69 H3* U 510 H3* U 510 24.719 10.259 -8.955 70 H2* U 510 H2* U 510 22.564 10.041 -9.815 71 2HO* U 510 2HO* U 510 21.515 12.073 -8.162 72 H1* U 510 H1* U 510 22.016 12.574 -10.481 73 H3 U 510 H3 U 510 26.213 13.350 -12.959 74 H5 U 510 H5 U 510 24.643 9.499 -13.450 75 H6 U 510 H6 U 510 23.148 9.974 -11.564 76 1H ALA 1 HN ALA 1 51.240 -12.424 32.543 77 HA ALA 1 HA ALA 1 48.769 -13.237 31.623 78 1HB ALA 1 1HB ALA 1 47.506 -11.041 32.106 79 2HB ALA 1 2HB ALA 1 47.648 -12.207 33.442 80 3HB ALA 1 3HB ALA 1 48.705 -10.777 33.395 81 H THR 2 HN THR 2 49.447 -13.116 29.532 82 HA THR 2 HA THR 2 50.353 -10.477 28.610 83 HB THR 2 HB THR 2 51.640 -13.216 28.176 84 HG1 THR 2 HG1 THR 2 52.524 -10.524 28.949 85 1HG2 THR 2 1HG2 THR 2 53.140 -12.162 26.569 86 2HG2 THR 2 2HG2 THR 2 51.482 -11.862 25.996 87 3HG2 THR 2 3HG2 THR 2 52.384 -10.572 26.827 88 H VAL 3 HN VAL 3 48.862 -9.720 27.254 89 HA VAL 3 HA VAL 3 46.907 -11.332 26.091 90 HB VAL 3 HB VAL 3 46.781 -8.897 26.573 91 1HG1 VAL 3 1HG1 VAL 3 47.878 -8.006 24.029 92 2HG1 VAL 3 2HG1 VAL 3 48.169 -7.393 25.674 93 3HG1 VAL 3 3HG1 VAL 3 49.125 -8.759 25.052 94 1HG2 VAL 3 1HG2 VAL 3 45.943 -8.541 23.932 95 2HG2 VAL 3 2HG2 VAL 3 45.827 -10.296 24.203 96 3HG2 VAL 3 3HG2 VAL 3 44.973 -9.171 25.285 97 H VAL 4 HN VAL 4 46.772 -12.451 24.177 98 HA VAL 4 HA VAL 4 49.121 -12.243 22.421 99 HB VAL 4 HB VAL 4 48.825 -14.637 21.960 100 1HG1 VAL 4 1HG1 VAL 4 50.495 -14.578 23.478 101 2HG1 VAL 4 2HG1 VAL 4 49.589 -13.522 24.588 102 3HG1 VAL 4 3HG1 VAL 4 49.281 -15.276 24.577 103 1HG2 VAL 4 1HG2 VAL 4 47.338 -15.538 24.178 104 2HG2 VAL 4 2HG2 VAL 4 46.369 -14.241 23.438 105 3HG2 VAL 4 3HG2 VAL 4 46.890 -15.632 22.458 106 H SER 5 HN SER 5 47.558 -10.453 21.589 107 HA SER 5 HA SER 5 46.010 -11.721 19.498 108 1HB SER 5 2HB SER 5 44.944 -9.992 21.671 109 2HB SER 5 3HB SER 5 44.438 -9.519 20.061 110 HG SER 5 HG SER 5 43.353 -11.421 21.522 111 H GLY 6 HN GLY 6 45.649 -10.243 17.619 112 1HA GLY 6 1HA GLY 6 46.480 -7.649 17.372 113 2HA GLY 6 2HA GLY 6 47.943 -8.590 17.158 114 H GLN 7 HN GLN 7 47.168 -7.127 14.999 115 HA GLN 7 HA GLN 7 46.793 -9.125 13.076 116 1HB GLN 7 2HB GLN 7 44.645 -8.425 12.122 117 2HB GLN 7 3HB GLN 7 44.420 -8.921 13.788 118 1HG GLN 7 2HG GLN 7 44.474 -6.539 14.522 119 2HG GLN 7 3HG GLN 7 44.747 -6.025 12.868 120 1HE2 GLN 7 1HE2 GLN 7 42.633 -5.100 14.348 121 2HE2 GLN 7 2HE2 GLN 7 41.133 -5.679 13.707 122 H LYS 8 HN LYS 8 46.528 -7.998 10.778 123 HA LYS 8 HA LYS 8 47.659 -5.310 10.845 124 1HB LYS 8 2HB LYS 8 49.451 -5.891 9.326 125 2HB LYS 8 3HB LYS 8 49.579 -6.848 10.787 126 1HG LYS 8 2HG LYS 8 48.013 -7.994 8.475 127 2HG LYS 8 3HG LYS 8 49.761 -7.970 8.353 128 1HD LYS 8 2HD LYS 8 49.812 -9.083 10.682 129 2HD LYS 8 3HD LYS 8 48.083 -9.315 10.514 130 1HE LYS 8 2HE LYS 8 48.457 -10.595 8.395 131 2HE LYS 8 3HE LYS 8 50.187 -10.359 8.556 132 1HZ LYS 8 1HZ LYS 8 50.299 -11.932 10.095 133 2HZ LYS 8 2HZ LYS 8 48.963 -11.438 10.894 134 3HZ LYS 8 3HZ LYS 8 48.822 -12.407 9.587 135 H GLN 9 HN GLN 9 46.962 -4.010 9.155 136 HA GLN 9 HA GLN 9 45.547 -5.333 7.010 137 1HB GLN 9 2HB GLN 9 44.317 -3.432 9.010 138 2HB GLN 9 3HB GLN 9 43.739 -3.414 7.356 139 1HG GLN 9 2HG GLN 9 42.506 -5.276 7.736 140 2HG GLN 9 3HG GLN 9 43.950 -6.172 8.164 141 1HE2 GLN 9 1HE2 GLN 9 41.094 -5.892 9.223 142 2HE2 GLN 9 2HE2 GLN 9 41.269 -5.718 10.937 143 H ASP 10 HN ASP 10 46.189 -4.460 5.085 144 HA ASP 10 HA ASP 10 47.298 -1.768 5.231 145 1HB ASP 10 2HB ASP 10 48.285 -4.264 4.072 146 2HB ASP 10 3HB ASP 10 48.141 -3.042 2.824 147 H ARG 11 HN ARG 11 47.000 -0.485 3.124 148 HA ARG 11 HA ARG 11 44.654 -1.428 1.686 149 1HB ARG 11 2HB ARG 11 45.176 1.227 3.017 150 2HB ARG 11 3HB ARG 11 44.309 1.259 1.494 151 1HG ARG 11 2HG ARG 11 43.253 -0.863 3.206 152 2HG ARG 11 3HG ARG 11 43.250 0.665 4.067 153 1HD ARG 11 2HD ARG 11 41.610 1.560 2.731 154 2HD ARG 11 3HD ARG 11 42.314 0.914 1.263 155 HE ARG 11 HE ARG 11 41.177 -1.209 2.878 156 1HH1 ARG 11 2HH2 ARG 11 40.315 1.384 0.660 157 2HH1 ARG 11 1HH2 ARG 11 38.849 0.623 0.138 158 1HH2 ARG 11 2HH1 ARG 11 39.242 -2.212 2.192 159 2HH2 ARG 11 1HH1 ARG 11 38.234 -1.436 1.016 160 H GLN 12 HN GLN 12 44.409 -0.158 -0.502 161 HA GLN 12 HA GLN 12 47.089 0.075 -1.603 162 1HB GLN 12 2HB GLN 12 44.944 -1.442 -2.455 163 2HB GLN 12 3HB GLN 12 44.776 -0.023 -3.469 164 1HG GLN 12 2HG GLN 12 47.099 -0.251 -4.263 165 2HG GLN 12 3HG GLN 12 47.385 -1.578 -3.153 166 1HE2 GLN 12 1HE2 GLN 12 47.873 -3.058 -4.706 167 2HE2 GLN 12 2HE2 GLN 12 46.723 -3.729 -5.814 168 H GLY 13 HN GLY 13 47.227 1.699 -3.543 169 1HA GLY 13 1HA GLY 13 45.834 4.178 -2.729 170 2HA GLY 13 2HA GLY 13 47.463 4.101 -3.369 171 H GLY 14 HN GLY 14 47.668 4.652 -5.490 172 1HA GLY 14 1HA GLY 14 47.196 4.923 -7.670 173 2HA GLY 14 2HA GLY 14 46.112 3.551 -7.548 174 H GLU 15 HN GLU 15 45.943 6.341 -8.895 175 HA GLU 15 HA GLU 15 43.201 6.689 -8.309 176 1HB GLU 15 2HB GLU 15 44.697 8.063 -6.545 177 2HB GLU 15 3HB GLU 15 44.758 9.223 -7.857 178 1HG GLU 15 2HG GLU 15 42.255 9.204 -7.984 179 2HG GLU 15 3HG GLU 15 42.199 8.056 -6.663 180 H ARG 16 HN ARG 16 42.303 7.036 -10.292 181 HA ARG 16 HA ARG 16 43.892 8.617 -12.146 182 1HB ARG 16 2HB ARG 16 42.326 6.051 -12.674 183 2HB ARG 16 3HB ARG 16 42.794 7.129 -13.973 184 1HG ARG 16 2HG ARG 16 44.907 6.304 -13.979 185 2HG ARG 16 3HG ARG 16 45.100 6.661 -12.274 186 1HD ARG 16 2HD ARG 16 43.646 4.491 -11.892 187 2HD ARG 16 3HD ARG 16 44.053 4.113 -13.553 188 HE ARG 16 HE ARG 16 45.846 3.999 -11.265 189 1HH1 ARG 16 2HH2 ARG 16 45.730 4.518 -14.743 190 2HH1 ARG 16 1HH2 ARG 16 47.370 4.024 -15.000 191 1HH2 ARG 16 2HH1 ARG 16 48.010 3.346 -11.603 192 2HH2 ARG 16 1HH1 ARG 16 48.676 3.354 -13.203 193 H ARG 17 HN ARG 17 42.685 10.078 -13.492 194 HA ARG 17 HA ARG 17 40.438 11.130 -12.407 195 1HB ARG 17 2HB ARG 17 40.126 12.217 -14.710 196 2HB ARG 17 3HB ARG 17 41.715 12.420 -14.000 197 1HG ARG 17 2HG ARG 17 42.512 11.614 -15.980 198 2HG ARG 17 3HG ARG 17 42.044 10.039 -15.374 199 1HD ARG 17 2HD ARG 17 39.957 10.069 -16.566 200 2HD ARG 17 3HD ARG 17 40.045 11.796 -16.851 201 HE ARG 17 HE ARG 17 42.305 10.365 -18.021 202 1HH1 ARG 17 2HH2 ARG 17 38.955 11.311 -18.534 203 2HH1 ARG 17 1HH2 ARG 17 39.060 11.219 -20.260 204 1HH2 ARG 17 2HH1 ARG 17 42.443 10.244 -20.299 205 2HH2 ARG 17 1HH1 ARG 17 41.058 10.608 -21.271 206 H ARG 18 HN ARG 18 40.806 8.552 -14.879 207 HA ARG 18 HA ARG 18 38.635 7.174 -14.349 208 1HB ARG 18 2HB ARG 18 37.814 9.694 -15.615 209 2HB ARG 18 3HB ARG 18 37.302 8.325 -16.582 210 1HG ARG 18 2HG ARG 18 36.138 7.323 -14.675 211 2HG ARG 18 3HG ARG 18 36.800 8.518 -13.577 212 1HD ARG 18 2HD ARG 18 34.966 9.189 -15.929 213 2HD ARG 18 3HD ARG 18 34.411 8.989 -14.279 214 HE ARG 18 HE ARG 18 36.433 10.853 -14.015 215 1HH1 ARG 18 2HH2 ARG 18 33.578 10.656 -16.063 216 2HH1 ARG 18 1HH2 ARG 18 33.376 12.372 -16.167 217 1HH2 ARG 18 2HH1 ARG 18 36.168 13.119 -14.152 218 2HH2 ARG 18 1HH1 ARG 18 34.860 13.783 -15.073 219 H SER 19 HN SER 19 40.431 5.802 -15.159 220 HA SER 19 HA SER 19 41.677 5.853 -17.473 221 1HB SER 19 2HB SER 19 40.663 3.669 -15.731 222 2HB SER 19 3HB SER 19 41.051 3.161 -17.362 223 HG SER 19 HG SER 19 42.926 2.978 -16.062 224 H GLN 20 HN GLN 20 40.668 6.670 -19.332 225 HA GLN 20 HA GLN 20 39.114 6.911 -20.885 226 1HB GLN 20 2HB GLN 20 38.941 4.871 -22.349 227 2HB GLN 20 3HB GLN 20 40.583 5.262 -21.884 228 1HG GLN 20 2HG GLN 20 40.444 3.569 -20.029 229 2HG GLN 20 3HG GLN 20 38.819 3.160 -20.541 230 1HE2 GLN 20 1HE2 GLN 20 38.511 2.404 -22.747 231 2HE2 GLN 20 2HE2 GLN 20 39.736 1.446 -23.510 232 H LEU 21 HN LEU 21 37.588 7.169 -18.774 233 HA LEU 21 HA LEU 21 35.485 5.137 -18.940 234 1HB LEU 21 2HB LEU 21 36.703 5.894 -16.753 235 2HB LEU 21 3HB LEU 21 35.631 7.277 -16.848 236 HG LEU 21 HG LEU 21 35.064 4.476 -16.115 237 1HD1 LEU 21 1HD1 LEU 21 34.766 5.909 -14.352 238 2HD1 LEU 21 2HD1 LEU 21 34.140 7.224 -15.374 239 3HD1 LEU 21 3HD1 LEU 21 33.105 5.828 -14.987 240 1HD2 LEU 21 1HD2 LEU 21 33.846 4.334 -18.127 241 2HD2 LEU 21 2HD2 LEU 21 32.647 4.718 -16.869 242 3HD2 LEU 21 3HD2 LEU 21 33.224 5.994 -17.968 243 H ASP 22 HN ASP 22 34.647 5.887 -20.982 244 HA ASP 22 HA ASP 22 34.023 8.504 -21.499 245 1HB ASP 22 2HB ASP 22 33.811 6.112 -22.838 246 2HB ASP 22 3HB ASP 22 32.120 6.423 -22.501 247 H ARG 23 HN ARG 23 31.726 9.462 -21.634 248 HA ARG 23 HA ARG 23 30.500 9.244 -19.149 249 1HB ARG 23 2HB ARG 23 30.519 11.237 -20.823 250 2HB ARG 23 3HB ARG 23 29.215 10.415 -21.658 251 1HG ARG 23 2HG ARG 23 28.436 12.136 -19.967 252 2HG ARG 23 3HG ARG 23 27.765 10.535 -19.718 253 1HD ARG 23 2HD ARG 23 28.917 10.205 -17.739 254 2HD ARG 23 3HD ARG 23 30.346 11.048 -18.302 255 HE ARG 23 HE ARG 23 28.465 13.073 -18.066 256 1HH1 ARG 23 2HH2 ARG 23 29.694 10.604 -15.882 257 2HH1 ARG 23 1HH2 ARG 23 29.441 11.556 -14.458 258 1HH2 ARG 23 2HH1 ARG 23 28.132 14.331 -16.189 259 2HH2 ARG 23 1HH1 ARG 23 28.547 13.692 -14.633 260 H ASP 24 HN ASP 24 30.406 7.169 -21.819 261 HA ASP 24 HA ASP 24 27.841 6.130 -20.920 262 1HB ASP 24 2HB ASP 24 28.857 6.209 -23.800 263 2HB ASP 24 3HB ASP 24 27.369 5.442 -23.280 264 H GLN 25 HN GLN 25 30.766 5.544 -20.314 265 HA GLN 25 HA GLN 25 30.904 2.870 -21.472 266 1HB GLN 25 2HB GLN 25 32.868 4.954 -21.259 267 2HB GLN 25 3HB GLN 25 33.387 3.644 -20.217 268 1HG GLN 25 2HG GLN 25 32.837 2.076 -22.242 269 2HG GLN 25 3HG GLN 25 32.806 3.543 -23.200 270 1HE2 GLN 25 1HE2 GLN 25 34.624 4.247 -24.028 271 2HE2 GLN 25 2HE2 GLN 25 36.229 3.811 -23.547 272 H CYS 26 HN CYS 26 30.612 1.156 -20.104 273 HA CYS 26 HA CYS 26 29.829 1.516 -17.496 274 1HB CYS 26 2HB CYS 26 29.290 -0.486 -18.793 275 2HB CYS 26 3HB CYS 26 30.975 -0.968 -18.812 276 H ALA 27 HN ALA 27 30.945 1.732 -15.554 277 HA ALA 27 HA ALA 27 33.862 1.751 -15.767 278 1HB ALA 27 1HB ALA 27 31.975 2.898 -13.670 279 2HB ALA 27 2HB ALA 27 33.743 3.099 -13.702 280 3HB ALA 27 3HB ALA 27 32.743 3.810 -14.991 281 H TYR 28 HN TYR 28 32.340 -0.767 -15.717 282 HA TYR 28 HA TYR 28 33.355 -1.781 -13.150 283 1HB TYR 28 2HB TYR 28 30.747 -1.500 -13.565 284 2HB TYR 28 3HB TYR 28 30.926 -2.788 -14.740 285 HD1 TYR 28 HD1 TYR 28 30.749 -1.950 -11.199 286 HD2 TYR 28 HD2 TYR 28 31.574 -5.081 -13.994 287 HE1 TYR 28 HE1 TYR 28 30.482 -3.678 -9.353 288 HE2 TYR 28 HE2 TYR 28 31.304 -6.799 -12.139 289 HH TYR 28 HH TYR 28 30.064 -6.908 -9.956 290 H CYS 29 HN CYS 29 32.011 -2.951 -16.326 291 HA CYS 29 HA CYS 29 34.047 -5.018 -16.294 292 1HB CYS 29 2HB CYS 29 32.776 -6.019 -18.140 293 2HB CYS 29 3HB CYS 29 31.760 -5.737 -16.741 294 H LYS 30 HN LYS 30 33.240 -1.898 -17.672 295 HA LYS 30 HA LYS 30 34.621 -0.549 -18.832 296 1HB LYS 30 2HB LYS 30 36.407 -2.529 -18.282 297 2HB LYS 30 3HB LYS 30 36.335 -2.648 -20.029 298 1HG LYS 30 2HG LYS 30 37.572 -0.763 -20.261 299 2HG LYS 30 3HG LYS 30 36.425 0.157 -19.307 300 1HD LYS 30 2HD LYS 30 37.874 -1.504 -17.470 301 2HD LYS 30 3HD LYS 30 39.061 -0.798 -18.550 302 1HE LYS 30 2HE LYS 30 36.920 1.025 -17.466 303 2HE LYS 30 3HE LYS 30 38.169 0.500 -16.354 304 1HZ LYS 30 1HZ LYS 30 38.381 2.499 -18.167 305 2HZ LYS 30 2HZ LYS 30 39.615 1.824 -17.337 306 3HZ LYS 30 3HZ LYS 30 39.255 1.294 -18.839 307 H GLU 31 HN GLU 31 32.186 -2.172 -19.595 308 HA GLU 31 HA GLU 31 32.608 -2.428 -22.441 309 1HB GLU 31 2HB GLU 31 31.367 -4.180 -21.073 310 2HB GLU 31 3HB GLU 31 30.087 -3.008 -20.830 311 1HG GLU 31 2HG GLU 31 30.851 -3.210 -23.668 312 2HG GLU 31 3HG GLU 31 30.354 -4.760 -23.018 313 H LYS 32 HN LYS 32 31.937 -0.911 -23.921 314 HA LYS 32 HA LYS 32 30.665 1.462 -22.841 315 1HB LYS 32 2HB LYS 32 32.657 1.753 -24.200 316 2HB LYS 32 3HB LYS 32 31.937 0.861 -25.526 317 1HG LYS 32 2HG LYS 32 29.987 2.730 -25.161 318 2HG LYS 32 3HG LYS 32 31.359 3.647 -24.572 319 1HD LYS 32 2HD LYS 32 32.569 2.892 -26.762 320 2HD LYS 32 3HD LYS 32 30.979 2.421 -27.329 321 1HE LYS 32 2HE LYS 32 30.709 5.052 -26.213 322 2HE LYS 32 3HE LYS 32 32.146 5.076 -27.215 323 1HZ LYS 32 1HZ LYS 32 29.436 4.870 -27.996 324 2HZ LYS 32 2HZ LYS 32 30.743 5.266 -28.891 325 3HZ LYS 32 3HZ LYS 32 30.343 3.697 -28.682 326 H GLY 33 HN GLY 33 28.525 1.872 -23.000 327 1HA GLY 33 1HA GLY 33 26.762 1.818 -24.869 328 2HA GLY 33 2HA GLY 33 26.942 0.081 -24.721 329 H HIS 34 HN HIS 34 27.417 -0.014 -21.831 330 HA HIS 34 HA HIS 34 24.806 0.924 -20.887 331 1HB HIS 34 2HB HIS 34 24.490 -1.097 -19.667 332 2HB HIS 34 3HB HIS 34 24.852 -1.523 -21.327 333 HD1 HIS 34 HD1 HIS 34 26.830 -3.058 -21.740 334 HD2 HIS 34 HD2 HIS 34 26.734 -1.535 -17.832 335 HE1 HIS 34 HE1 HIS 34 28.640 -4.303 -20.442 336 H TRP 35 HN TRP 35 24.707 1.359 -18.532 337 HA TRP 35 HA TRP 35 27.223 2.513 -17.666 338 1HB TRP 35 2HB TRP 35 24.355 2.927 -17.103 339 2HB TRP 35 3HB TRP 35 25.422 3.121 -15.726 340 HD1 TRP 35 HD1 TRP 35 25.998 4.287 -19.420 341 HE1 TRP 35 HE1 TRP 35 26.559 6.865 -19.492 342 HE3 TRP 35 HE3 TRP 35 25.460 5.081 -14.426 343 HZ2 TRP 35 HZ2 TRP 35 26.711 8.901 -17.499 344 HZ3 TRP 35 HZ3 TRP 35 25.832 7.392 -13.571 345 HH2 TRP 35 HH2 TRP 35 26.437 9.267 -15.019 346 H ALA 36 HN ALA 36 27.947 2.127 -15.370 347 HA ALA 36 HA ALA 36 28.227 -0.597 -14.872 348 1HB ALA 36 1HB ALA 36 29.872 0.970 -14.095 349 2HB ALA 36 2HB ALA 36 28.655 1.887 -13.173 350 3HB ALA 36 3HB ALA 36 29.124 0.252 -12.648 351 H LYS 37 HN LYS 37 25.819 1.813 -13.821 352 HA LYS 37 HA LYS 37 24.757 0.259 -11.721 353 1HB LYS 37 2HB LYS 37 23.569 2.527 -13.345 354 2HB LYS 37 3HB LYS 37 22.840 1.847 -11.904 355 1HG LYS 37 2HG LYS 37 24.284 2.945 -10.517 356 2HG LYS 37 3HG LYS 37 25.681 2.515 -11.483 357 1HD LYS 37 2HD LYS 37 25.711 4.543 -12.513 358 2HD LYS 37 3HD LYS 37 24.006 4.447 -12.910 359 1HE LYS 37 2HE LYS 37 24.814 5.038 -10.052 360 2HE LYS 37 3HE LYS 37 24.901 6.323 -11.241 361 1HZ LYS 37 1HZ LYS 37 22.657 6.270 -11.555 362 2HZ LYS 37 2HZ LYS 37 22.477 4.721 -11.072 363 3HZ LYS 37 3HZ LYS 37 22.731 5.896 -9.967 364 H ASP 38 HN ASP 38 24.824 -0.226 -15.085 365 HA ASP 38 HA ASP 38 22.507 -1.974 -14.825 366 1HB ASP 38 2HB ASP 38 22.613 0.226 -16.483 367 2HB ASP 38 3HB ASP 38 23.244 -1.007 -17.555 368 H CYS 39 HN CYS 39 25.533 -2.295 -14.466 369 HA CYS 39 HA CYS 39 26.544 -3.590 -16.751 370 1HB CYS 39 2HB CYS 39 27.944 -2.551 -14.962 371 2HB CYS 39 3HB CYS 39 27.477 -3.842 -13.874 372 HA PRO 40 HA PRO 40 24.479 -7.394 -16.104 373 1HB PRO 40 2HB PRO 40 25.706 -8.871 -18.049 374 2HB PRO 40 3HB PRO 40 24.358 -7.798 -18.367 375 1HG PRO 40 2HG PRO 40 27.224 -7.405 -18.975 376 2HG PRO 40 3HG PRO 40 25.836 -6.571 -19.645 377 1HD PRO 40 2HD PRO 40 27.648 -5.566 -17.662 378 2HD PRO 40 3HD PRO 40 26.194 -4.781 -18.248 379 H LYS 41 HN LYS 41 27.498 -6.674 -15.177 380 HA LYS 41 HA LYS 41 28.064 -9.424 -14.358 381 1HB LYS 41 2HB LYS 41 29.684 -7.124 -15.140 382 2HB LYS 41 3HB LYS 41 30.211 -7.809 -13.616 383 1HG LYS 41 2HG LYS 41 29.845 -10.123 -14.989 384 2HG LYS 41 3HG LYS 41 30.163 -9.062 -16.347 385 1HD LYS 41 2HD LYS 41 32.371 -9.383 -15.900 386 2HD LYS 41 3HD LYS 41 32.142 -8.297 -14.544 387 1HE LYS 41 2HE LYS 41 33.172 -10.319 -13.684 388 2HE LYS 41 3HE LYS 41 31.516 -10.294 -13.112 389 1HZ LYS 41 1HZ LYS 41 31.297 -11.569 -15.448 390 2HZ LYS 41 2HZ LYS 41 32.760 -12.090 -14.942 391 3HZ LYS 41 3HZ LYS 41 31.445 -12.310 -14.000 392 H LYS 42 HN LYS 42 26.774 -6.394 -13.270 393 HA LYS 42 HA LYS 42 27.561 -6.568 -10.569 394 1HB LYS 42 2HB LYS 42 25.755 -4.929 -12.226 395 2HB LYS 42 3HB LYS 42 25.226 -5.118 -10.567 396 1HG LYS 42 2HG LYS 42 27.423 -4.344 -9.735 397 2HG LYS 42 3HG LYS 42 28.045 -4.259 -11.370 398 1HD LYS 42 2HD LYS 42 27.394 -2.068 -11.273 399 2HD LYS 42 3HD LYS 42 25.799 -2.699 -11.633 400 1HE LYS 42 2HE LYS 42 25.092 -2.583 -9.368 401 2HE LYS 42 3HE LYS 42 26.732 -2.576 -8.751 402 1HZ LYS 42 1HZ LYS 42 26.845 -0.379 -10.091 403 2HZ LYS 42 2HZ LYS 42 25.221 -0.394 -9.923 404 3HZ LYS 42 3HZ LYS 42 26.179 -0.398 -8.601 405 HA PRO 43 HA PRO 43 24.897 -9.918 -9.636 406 1HB PRO 43 2HB PRO 43 25.934 -10.475 -7.169 407 2HB PRO 43 3HB PRO 43 26.586 -11.137 -8.654 408 1HG PRO 43 2HG PRO 43 27.674 -8.977 -6.957 409 2HG PRO 43 3HG PRO 43 28.493 -9.931 -8.176 410 1HD PRO 43 2HD PRO 43 27.572 -7.228 -8.445 411 2HD PRO 43 3HD PRO 43 28.286 -8.222 -9.699 412 H ARG 44 HN ARG 44 23.542 -10.609 -7.585 413 HA ARG 44 HA ARG 44 22.645 -8.154 -6.349 414 1HB ARG 44 2HB ARG 44 21.167 -9.675 -8.359 415 2HB ARG 44 3HB ARG 44 20.290 -9.700 -6.842 416 1HG ARG 44 2HG ARG 44 21.358 -7.022 -7.388 417 2HG ARG 44 3HG ARG 44 20.371 -7.585 -8.722 418 1HD ARG 44 2HD ARG 44 18.582 -6.895 -7.482 419 2HD ARG 44 3HD ARG 44 18.835 -8.346 -6.532 420 HE ARG 44 HE ARG 44 20.559 -6.187 -5.634 421 1HH1 ARG 44 2HH2 ARG 44 17.272 -7.426 -5.448 422 2HH1 ARG 44 1HH2 ARG 44 16.936 -6.670 -3.925 423 1HH2 ARG 44 2HH1 ARG 44 20.119 -5.190 -3.626 424 2HH2 ARG 44 1HH1 ARG 44 18.567 -5.390 -2.882 425 H GLY 45 HN GLY 45 23.808 -9.129 -4.487 426 1HA GLY 45 1HA GLY 45 22.588 -11.578 -3.408 427 2HA GLY 45 2HA GLY 45 24.122 -10.871 -2.940 428 HA PRO 46 HA PRO 46 23.735 -11.971 -1.250 429 1HB PRO 46 2HB PRO 46 22.646 -13.159 0.958 430 2HB PRO 46 3HB PRO 46 23.988 -12.035 1.038 431 1HG PRO 46 2HG PRO 46 21.153 -11.589 1.744 432 2HG PRO 46 3HG PRO 46 22.559 -10.651 2.205 433 1HD PRO 46 2HD PRO 46 20.621 -9.968 0.203 434 2HD PRO 46 3HD PRO 46 22.089 -9.090 0.584 435 H ARG 47 HN ARG 47 23.564 -13.797 -2.415 436 HA ARG 47 HA ARG 47 20.800 -14.661 -2.724 437 1HB ARG 47 2HB ARG 47 21.940 -13.574 -4.775 438 2HB ARG 47 3HB ARG 47 23.000 -14.968 -4.821 439 1HG ARG 47 2HG ARG 47 20.129 -15.685 -4.610 440 2HG ARG 47 3HG ARG 47 20.514 -14.790 -6.066 441 1HD ARG 47 2HD ARG 47 22.524 -16.471 -6.310 442 2HD ARG 47 3HD ARG 47 21.661 -17.449 -5.141 443 HE ARG 47 HE ARG 47 19.910 -16.586 -7.295 444 1HH1 ARG 47 2HH2 ARG 47 22.379 -18.945 -6.446 445 2HH1 ARG 47 1HH2 ARG 47 21.835 -20.118 -7.597 446 1HH2 ARG 47 2HH1 ARG 47 19.192 -18.133 -8.815 447 2HH2 ARG 47 1HH1 ARG 47 20.010 -19.653 -8.954 448 H GLY 48 HN GLY 48 20.397 -16.876 -2.417 449 1HA GLY 48 1HA GLY 48 21.994 -19.017 -2.842 450 2HA GLY 48 2HA GLY 48 22.542 -18.439 -1.281 451 HA PRO 49 HA PRO 49 18.045 -20.001 -1.000 452 1HB PRO 49 2HB PRO 49 17.358 -21.969 -2.768 453 2HB PRO 49 3HB PRO 49 16.927 -20.286 -2.993 454 1HG PRO 49 2HG PRO 49 19.011 -21.866 -4.372 455 2HG PRO 49 3HG PRO 49 18.284 -20.347 -4.858 456 1HD PRO 49 2HD PRO 49 20.881 -20.712 -3.696 457 2HD PRO 49 3HD PRO 49 20.106 -19.185 -4.075 458 H ARG 50 HN ARG 50 17.789 -21.184 0.787 459 HA ARG 50 HA ARG 50 19.485 -23.550 0.819 460 1HB ARG 50 2HB ARG 50 19.171 -21.366 2.701 461 2HB ARG 50 3HB ARG 50 18.625 -22.839 3.480 462 1HG ARG 50 2HG ARG 50 20.844 -23.894 2.517 463 2HG ARG 50 3HG ARG 50 21.359 -22.232 2.309 464 1HD ARG 50 2HD ARG 50 21.986 -22.225 4.493 465 2HD ARG 50 3HD ARG 50 20.291 -22.302 4.927 466 HE ARG 50 HE ARG 50 20.557 -24.559 5.484 467 1HH1 ARG 50 2HH2 ARG 50 23.270 -23.536 3.491 468 2HH1 ARG 50 1HH2 ARG 50 24.148 -25.014 3.702 469 1HH2 ARG 50 2HH1 ARG 50 21.715 -26.510 5.762 470 2HH2 ARG 50 1HH1 ARG 50 23.258 -26.717 5.003 471 HA PRO 51 HA PRO 51 15.832 -25.856 1.432 472 1HB PRO 51 2HB PRO 51 16.807 -28.127 2.599 473 2HB PRO 51 3HB PRO 51 16.885 -27.826 0.874 474 1HG PRO 51 2HG PRO 51 19.050 -27.678 2.881 475 2HG PRO 51 3HG PRO 51 19.175 -27.803 1.137 476 1HD PRO 51 2HD PRO 51 19.571 -25.446 2.722 477 2HD PRO 51 3HD PRO 51 19.582 -25.546 0.973 478 H GLN 52 HN GLN 52 14.554 -27.252 3.119 479 HA GLN 52 HA GLN 52 14.872 -25.758 5.606 480 1HB GLN 52 2HB GLN 52 12.815 -25.139 4.347 481 2HB GLN 52 3HB GLN 52 12.299 -26.813 4.351 482 1HG GLN 52 2HG GLN 52 11.131 -25.940 6.197 483 2HG GLN 52 3HG GLN 52 12.534 -26.659 6.962 484 1HE2 GLN 52 1HE2 GLN 52 10.949 -24.611 8.052 485 2HE2 GLN 52 2HE2 GLN 52 11.908 -23.181 8.245 486 H THR 53 HN THR 53 15.967 -27.178 6.938 487 HA THR 53 HA THR 53 14.633 -29.730 7.446 488 HB THR 53 HB THR 53 17.525 -29.294 6.574 489 HG1 THR 53 HG1 THR 53 16.361 -30.069 4.843 490 1HG2 THR 53 1HG2 THR 53 16.954 -30.919 8.714 491 2HG2 THR 53 2HG2 THR 53 16.570 -32.021 7.370 492 3HG2 THR 53 3HG2 THR 53 18.197 -31.311 7.501 493 H SER 54 HN SER 54 13.864 -29.189 9.441 494 HA SER 54 HA SER 54 15.950 -28.459 11.343 495 1HB SER 54 2HB SER 54 14.373 -27.055 12.544 496 2HB SER 54 3HB SER 54 14.385 -26.555 10.864 497 HG SER 54 HG SER 54 12.444 -27.906 10.554 498 H LEU 55 HN LEU 55 16.238 -30.049 12.860 499 HA LEU 55 HA LEU 55 13.948 -31.822 13.356 500 1HB LEU 55 2HB LEU 55 16.328 -32.532 12.321 501 2HB LEU 55 3HB LEU 55 16.704 -32.683 14.026 502 HG LEU 55 HG LEU 55 14.350 -34.029 13.954 503 1HD1 LEU 55 1HD1 LEU 55 15.361 -35.342 11.586 504 2HD1 LEU 55 2HD1 LEU 55 13.721 -34.754 11.954 505 3HD1 LEU 55 3HD1 LEU 55 14.921 -33.653 11.236 506 1HD2 LEU 55 1HD2 LEU 55 17.176 -34.686 14.042 507 2HD2 LEU 55 2HD2 LEU 55 15.806 -35.396 14.929 508 3HD2 LEU 55 3HD2 LEU 55 16.220 -35.994 13.305 509 H LEU 56 HN LEU 56 16.977 -30.616 14.972 510 HA LEU 56 HA LEU 56 15.971 -31.039 17.550 511 1HB LEU 56 2HB LEU 56 18.389 -30.485 16.457 512 2HB LEU 56 3HB LEU 56 17.994 -28.924 17.147 513 HG LEU 56 HG LEU 56 17.428 -30.431 19.285 514 1HD1 LEU 56 1HD1 LEU 56 18.664 -32.293 17.502 515 2HD1 LEU 56 2HD1 LEU 56 19.752 -32.013 18.883 516 3HD1 LEU 56 3HD1 LEU 56 18.076 -32.546 19.162 517 1HD2 LEU 56 1HD2 LEU 56 19.670 -29.917 20.133 518 2HD2 LEU 56 2HD2 LEU 56 20.219 -29.568 18.476 519 3HD2 LEU 56 3HD2 LEU 56 18.975 -28.546 19.235 Start of MODEL 12 1 1H5* C 504 1H5* C 504 36.677 -5.395 -1.774 2 2H5* C 504 2H5* C 504 36.652 -4.583 -3.339 3 H4* C 504 H4* C 504 38.374 -6.460 -2.914 4 H3* C 504 H3* C 504 36.668 -6.503 -5.432 5 H2* C 504 H2* C 504 38.309 -7.945 -6.272 6 2HO* C 504 2HO* C 504 39.907 -7.053 -4.049 7 H1* C 504 H1* C 504 38.543 -9.623 -4.372 8 1H4 C 504 1H4 C 504 32.084 -9.963 -3.560 9 2H4 C 504 2H4 C 504 32.076 -9.629 -5.276 10 H5 C 504 H5 C 504 33.998 -9.019 -6.507 11 H6 C 504 H6 C 504 36.423 -8.574 -6.390 12 1H5* C 505 1H5* C 505 40.317 -7.010 -7.441 13 2H5* C 505 2H5* C 505 40.221 -5.606 -8.504 14 H4* C 505 H4* C 505 40.393 -7.691 -9.762 15 H3* C 505 H3* C 505 37.936 -6.004 -10.067 16 H2* C 505 H2* C 505 37.035 -7.513 -11.661 17 2HO* C 505 2HO* C 505 38.962 -7.991 -12.719 18 H1* C 505 H1* C 505 37.635 -9.775 -10.069 19 1H4 C 505 1H4 C 505 31.447 -8.597 -9.003 20 2H4 C 505 2H4 C 505 31.898 -7.387 -7.823 21 H5 C 505 H5 C 505 34.125 -6.714 -7.415 22 H6 C 505 H6 C 505 36.491 -7.039 -8.046 23 1H5* U 506 1H5* U 506 39.863 -2.167 -10.067 24 2H5* U 506 2H5* U 506 38.613 -2.422 -8.849 25 H4* U 506 H4* U 506 37.905 -1.306 -11.013 26 H3* U 506 H3* U 506 36.471 -3.743 -9.941 27 H2* U 506 H2* U 506 34.837 -3.444 -11.601 28 2HO* U 506 2HO* U 506 36.111 -0.944 -12.208 29 H1* U 506 H1* U 506 36.881 -2.572 -13.494 30 H3 U 506 H3 U 506 36.665 -6.228 -16.098 31 H5 U 506 H5 U 506 34.825 -7.493 -12.554 32 H6 U 506 H6 U 506 35.431 -5.324 -11.583 33 1H5* C 507 1H5* C 507 34.655 0.540 -10.711 34 2H5* C 507 2H5* C 507 34.318 0.727 -8.990 35 H4* C 507 H4* C 507 32.905 1.900 -10.993 36 H3* C 507 H3* C 507 32.195 1.263 -8.147 37 H2* C 507 H2* C 507 29.994 2.084 -8.490 38 2HO* C 507 2HO* C 507 30.789 2.694 -11.175 39 H1* C 507 H1* C 507 29.596 0.646 -10.842 40 1H4 C 507 1H4 C 507 27.383 -3.013 -6.059 41 2H4 C 507 2H4 C 507 28.912 -3.861 -6.080 42 H5 C 507 H5 C 507 30.767 -3.198 -7.383 43 H6 C 507 H6 C 507 31.617 -1.542 -9.006 44 1H5* C 508 1H5* C 508 34.044 5.477 -5.668 45 2H5* C 508 2H5* C 508 32.406 6.054 -5.975 46 H4* C 508 H4* C 508 33.585 8.017 -6.018 47 H3* C 508 H3* C 508 33.102 7.024 -8.740 48 H2* C 508 H2* C 508 34.692 8.380 -9.813 49 2HO* C 508 2HO* C 508 35.742 9.923 -8.006 50 H1* C 508 H1* C 508 36.807 7.893 -8.223 51 1H4 C 508 1H4 C 508 36.291 1.739 -10.336 52 2H4 C 508 2H4 C 508 35.858 2.537 -11.831 53 H5 C 508 H5 C 508 35.452 4.857 -12.016 54 H6 C 508 H6 C 508 35.360 7.003 -10.798 55 1H5* G 509 1H5* G 509 32.717 9.770 -11.024 56 2H5* G 509 2H5* G 509 31.679 10.693 -9.936 57 H4* G 509 H4* G 509 30.835 11.382 -11.929 58 H3* G 509 H3* G 509 29.273 8.950 -11.141 59 H2* G 509 H2* G 509 27.996 9.073 -13.142 60 2HO* G 509 2HO* G 509 29.458 11.306 -14.061 61 H1* G 509 H1* G 509 30.206 9.299 -14.801 62 H8 G 509 H8 G 509 30.114 7.167 -11.608 63 H1 G 509 H1 G 509 29.593 3.902 -17.171 64 1H2 G 509 1H2 G 509 29.580 5.228 -18.750 65 2H2 G 509 2H2 G 509 29.693 6.966 -18.590 66 1H5* U 510 1H5* U 510 27.492 13.270 -11.047 67 2H5* U 510 2H5* U 510 26.540 13.232 -9.563 68 H4* U 510 H4* U 510 25.583 14.885 -10.958 69 H3* U 510 H3* U 510 23.959 12.363 -10.800 70 H2* U 510 H2* U 510 22.276 13.339 -12.151 71 2HO* U 510 2HO* U 510 22.390 15.389 -11.182 72 H1* U 510 H1* U 510 24.220 14.415 -13.955 73 H3 U 510 H3 U 510 21.781 11.612 -16.569 74 H5 U 510 H5 U 510 24.113 9.049 -14.217 75 H6 U 510 H6 U 510 24.825 11.022 -12.947 76 1H ALA 1 HN ALA 1 74.455 21.919 -28.504 77 HA ALA 1 HA ALA 1 73.138 24.436 -28.736 78 1HB ALA 1 1HB ALA 1 73.447 22.629 -31.137 79 2HB ALA 1 2HB ALA 1 71.984 23.622 -30.938 80 3HB ALA 1 3HB ALA 1 73.581 24.401 -31.038 81 H THR 2 HN THR 2 70.942 24.253 -28.140 82 HA THR 2 HA THR 2 69.611 21.749 -28.088 83 HB THR 2 HB THR 2 71.286 21.443 -26.210 84 HG1 THR 2 HG1 THR 2 69.393 21.089 -24.640 85 1HG2 THR 2 1HG2 THR 2 71.019 24.023 -25.546 86 2HG2 THR 2 2HG2 THR 2 69.620 23.417 -24.626 87 3HG2 THR 2 3HG2 THR 2 71.252 22.797 -24.277 88 H VAL 3 HN VAL 3 67.404 21.965 -27.677 89 HA VAL 3 HA VAL 3 66.499 24.591 -26.811 90 HB VAL 3 HB VAL 3 66.799 24.524 -29.335 91 1HG1 VAL 3 1HG1 VAL 3 65.943 22.189 -29.608 92 2HG1 VAL 3 2HG1 VAL 3 64.313 22.786 -29.213 93 3HG1 VAL 3 3HG1 VAL 3 65.149 23.377 -30.669 94 1HG2 VAL 3 1HG2 VAL 3 65.324 26.202 -29.347 95 2HG2 VAL 3 2HG2 VAL 3 63.958 25.089 -29.101 96 3HG2 VAL 3 3HG2 VAL 3 64.861 25.713 -27.700 97 H VAL 4 HN VAL 4 64.546 24.509 -25.691 98 HA VAL 4 HA VAL 4 63.209 21.901 -25.658 99 HB VAL 4 HB VAL 4 64.783 22.131 -23.748 100 1HG1 VAL 4 1HG1 VAL 4 64.506 24.626 -23.525 101 2HG1 VAL 4 2HG1 VAL 4 62.927 24.318 -22.764 102 3HG1 VAL 4 3HG1 VAL 4 64.417 23.721 -21.995 103 1HG2 VAL 4 1HG2 VAL 4 62.821 20.689 -23.575 104 2HG2 VAL 4 2HG2 VAL 4 63.154 21.473 -22.011 105 3HG2 VAL 4 3HG2 VAL 4 61.830 22.068 -23.042 106 H SER 5 HN SER 5 60.936 21.997 -25.284 107 HA SER 5 HA SER 5 59.887 24.714 -25.262 108 1HB SER 5 2HB SER 5 59.789 23.756 -27.568 109 2HB SER 5 3HB SER 5 58.862 22.397 -26.964 110 HG SER 5 HG SER 5 57.139 23.609 -27.315 111 H GLY 6 HN GLY 6 57.844 24.967 -24.150 112 1HA GLY 6 1HA GLY 6 56.933 22.566 -22.687 113 2HA GLY 6 2HA GLY 6 57.231 24.088 -21.871 114 H GLN 7 HN GLN 7 54.680 22.746 -21.907 115 HA GLN 7 HA GLN 7 53.054 24.874 -22.526 116 1HB GLN 7 2HB GLN 7 53.723 23.535 -24.876 117 2HB GLN 7 3HB GLN 7 52.186 22.806 -24.454 118 1HG GLN 7 2HG GLN 7 51.578 25.431 -23.989 119 2HG GLN 7 3HG GLN 7 52.801 25.636 -25.228 120 1HE2 GLN 7 1HE2 GLN 7 50.136 26.331 -25.561 121 2HE2 GLN 7 2HE2 GLN 7 49.406 25.333 -26.774 122 H LYS 8 HN LYS 8 51.325 24.636 -21.164 123 HA LYS 8 HA LYS 8 50.059 22.086 -20.877 124 1HB LYS 8 2HB LYS 8 52.207 22.225 -19.316 125 2HB LYS 8 3HB LYS 8 51.131 23.156 -18.294 126 1HG LYS 8 2HG LYS 8 49.456 21.096 -18.891 127 2HG LYS 8 3HG LYS 8 50.985 20.257 -19.068 128 1HD LYS 8 2HD LYS 8 51.171 21.835 -16.674 129 2HD LYS 8 3HD LYS 8 49.618 21.023 -16.630 130 1HE LYS 8 2HE LYS 8 51.196 18.949 -17.477 131 2HE LYS 8 3HE LYS 8 52.375 19.855 -16.551 132 1HZ LYS 8 1HZ LYS 8 51.396 18.545 -14.984 133 2HZ LYS 8 2HZ LYS 8 50.512 19.907 -14.809 134 3HZ LYS 8 3HZ LYS 8 49.900 18.635 -15.630 135 H GLN 9 HN GLN 9 47.964 22.284 -19.951 136 HA GLN 9 HA GLN 9 47.233 24.869 -18.947 137 1HB GLN 9 2HB GLN 9 46.983 24.598 -21.634 138 2HB GLN 9 3HB GLN 9 45.456 23.883 -21.154 139 1HG GLN 9 2HG GLN 9 45.902 26.300 -19.600 140 2HG GLN 9 3HG GLN 9 46.118 26.665 -21.300 141 1HE2 GLN 9 1HE2 GLN 9 44.446 25.839 -22.800 142 2HE2 GLN 9 2HE2 GLN 9 42.788 25.877 -22.302 143 H ASP 10 HN ASP 10 46.327 24.219 -17.034 144 HA ASP 10 HA ASP 10 44.766 21.785 -17.079 145 1HB ASP 10 2HB ASP 10 44.825 22.037 -14.573 146 2HB ASP 10 3HB ASP 10 46.415 21.921 -15.301 147 H ARG 11 HN ARG 11 42.519 21.794 -16.393 148 HA ARG 11 HA ARG 11 41.378 24.466 -16.376 149 1HB ARG 11 2HB ARG 11 40.551 21.858 -17.540 150 2HB ARG 11 3HB ARG 11 39.246 22.694 -16.719 151 1HG ARG 11 2HG ARG 11 39.235 24.466 -18.223 152 2HG ARG 11 3HG ARG 11 40.960 24.374 -18.519 153 1HD ARG 11 2HD ARG 11 40.736 22.788 -20.200 154 2HD ARG 11 3HD ARG 11 39.361 22.012 -19.439 155 HE ARG 11 HE ARG 11 37.911 23.490 -20.558 156 1HH1 ARG 11 2HH2 ARG 11 41.229 24.625 -20.850 157 2HH1 ARG 11 1HH2 ARG 11 40.847 25.836 -22.028 158 1HH2 ARG 11 2HH1 ARG 11 37.406 25.089 -22.112 159 2HH2 ARG 11 1HH1 ARG 11 38.658 26.102 -22.750 160 H GLN 12 HN GLN 12 41.153 25.099 -14.230 161 HA GLN 12 HA GLN 12 41.001 23.453 -12.088 162 1HB GLN 12 2HB GLN 12 40.132 25.397 -10.849 163 2HB GLN 12 3HB GLN 12 41.391 25.893 -11.964 164 1HG GLN 12 2HG GLN 12 39.867 26.919 -13.451 165 2HG GLN 12 3HG GLN 12 38.513 25.956 -12.896 166 1HE2 GLN 12 1HE2 GLN 12 37.079 27.315 -12.121 167 2HE2 GLN 12 2HE2 GLN 12 37.349 28.553 -10.941 168 H GLY 13 HN GLY 13 39.269 22.666 -10.722 169 1HA GLY 13 1HA GLY 13 36.716 22.841 -10.595 170 2HA GLY 13 2HA GLY 13 36.777 22.218 -12.231 171 H GLY 14 HN GLY 14 37.148 20.017 -12.610 172 1HA GLY 14 1HA GLY 14 37.086 18.326 -10.227 173 2HA GLY 14 2HA GLY 14 36.733 17.857 -11.878 174 H GLU 15 HN GLU 15 38.729 18.132 -13.467 175 HA GLU 15 HA GLU 15 40.618 17.201 -14.042 176 1HB GLU 15 2HB GLU 15 41.214 19.247 -12.026 177 2HB GLU 15 3HB GLU 15 42.485 18.043 -12.105 178 1HG GLU 15 2HG GLU 15 41.566 18.809 -14.793 179 2HG GLU 15 3HG GLU 15 42.102 20.205 -13.880 180 H ARG 16 HN ARG 16 39.656 15.037 -13.422 181 HA ARG 16 HA ARG 16 41.255 13.910 -11.267 182 1HB ARG 16 2HB ARG 16 38.352 13.349 -12.019 183 2HB ARG 16 3HB ARG 16 39.279 12.226 -11.046 184 1HG ARG 16 2HG ARG 16 39.828 14.409 -9.603 185 2HG ARG 16 3HG ARG 16 38.375 15.030 -10.362 186 1HD ARG 16 2HD ARG 16 37.048 13.784 -8.998 187 2HD ARG 16 3HD ARG 16 37.890 12.310 -9.434 188 HE ARG 16 HE ARG 16 38.364 13.953 -7.058 189 1HH1 ARG 16 2HH2 ARG 16 39.772 11.575 -9.238 190 2HH1 ARG 16 1HH2 ARG 16 40.922 11.002 -8.076 191 1HH2 ARG 16 2HH1 ARG 16 39.882 13.198 -5.526 192 2HH2 ARG 16 1HH1 ARG 16 40.985 11.932 -5.950 193 H ARG 17 HN ARG 17 41.370 11.357 -11.553 194 HA ARG 17 HA ARG 17 41.779 10.901 -14.397 195 1HB ARG 17 2HB ARG 17 43.622 10.704 -12.326 196 2HB ARG 17 3HB ARG 17 43.087 9.041 -12.469 197 1HG ARG 17 2HG ARG 17 43.981 8.780 -14.595 198 2HG ARG 17 3HG ARG 17 43.683 10.447 -15.047 199 1HD ARG 17 2HD ARG 17 45.779 11.086 -14.421 200 2HD ARG 17 3HD ARG 17 45.625 10.312 -12.857 201 HE ARG 17 HE ARG 17 45.997 8.147 -14.483 202 1HH1 ARG 17 2HH2 ARG 17 47.718 11.208 -14.247 203 2HH1 ARG 17 1HH2 ARG 17 49.231 10.543 -14.763 204 1HH2 ARG 17 2HH1 ARG 17 47.993 7.269 -15.164 205 2HH2 ARG 17 1HH1 ARG 17 49.389 8.287 -15.288 206 H ARG 18 HN ARG 18 40.012 9.757 -15.168 207 HA ARG 18 HA ARG 18 39.280 7.416 -13.612 208 1HB ARG 18 2HB ARG 18 37.403 9.420 -14.953 209 2HB ARG 18 3HB ARG 18 36.871 7.832 -14.435 210 1HG ARG 18 2HG ARG 18 37.296 8.316 -12.121 211 2HG ARG 18 3HG ARG 18 38.284 9.712 -12.506 212 1HD ARG 18 2HD ARG 18 36.235 10.852 -13.462 213 2HD ARG 18 3HD ARG 18 35.270 9.475 -12.967 214 HE ARG 18 HE ARG 18 36.531 10.161 -10.622 215 1HH1 ARG 18 2HH2 ARG 18 34.710 12.034 -12.979 216 2HH1 ARG 18 1HH2 ARG 18 34.142 13.186 -11.816 217 1HH2 ARG 18 2HH1 ARG 18 35.782 11.679 -9.086 218 2HH2 ARG 18 1HH1 ARG 18 34.756 12.982 -9.586 219 H SER 19 HN SER 19 41.119 7.055 -15.537 220 HA SER 19 HA SER 19 41.596 6.360 -17.573 221 1HB SER 19 2HB SER 19 40.382 4.430 -16.191 222 2HB SER 19 3HB SER 19 39.165 4.573 -17.443 223 HG SER 19 HG SER 19 41.944 4.319 -18.144 224 H GLN 20 HN GLN 20 39.488 5.031 -19.403 225 HA GLN 20 HA GLN 20 38.668 7.526 -20.614 226 1HB GLN 20 2HB GLN 20 39.375 4.819 -21.578 227 2HB GLN 20 3HB GLN 20 37.970 5.490 -22.381 228 1HG GLN 20 2HG GLN 20 39.742 7.664 -22.290 229 2HG GLN 20 3HG GLN 20 40.805 6.300 -22.574 230 1HE2 GLN 20 1HE2 GLN 20 39.614 8.621 -24.196 231 2HE2 GLN 20 2HE2 GLN 20 39.085 7.896 -25.677 232 H LEU 21 HN LEU 21 37.244 6.841 -18.262 233 HA LEU 21 HA LEU 21 34.935 5.340 -18.778 234 1HB LEU 21 2HB LEU 21 36.105 6.312 -16.582 235 2HB LEU 21 3HB LEU 21 34.893 7.559 -16.799 236 HG LEU 21 HG LEU 21 34.527 4.641 -16.188 237 1HD1 LEU 21 1HD1 LEU 21 34.559 6.818 -14.589 238 2HD1 LEU 21 2HD1 LEU 21 32.825 6.741 -14.983 239 3HD1 LEU 21 3HD1 LEU 21 33.632 5.340 -14.241 240 1HD2 LEU 21 1HD2 LEU 21 31.992 5.214 -16.562 241 2HD2 LEU 21 2HD2 LEU 21 32.644 6.391 -17.728 242 3HD2 LEU 21 3HD2 LEU 21 33.010 4.659 -17.913 243 H ASP 22 HN ASP 22 34.109 5.951 -20.834 244 HA ASP 22 HA ASP 22 33.582 8.606 -21.471 245 1HB ASP 22 2HB ASP 22 32.268 6.042 -22.489 246 2HB ASP 22 3HB ASP 22 32.123 7.606 -23.264 247 H ARG 23 HN ARG 23 31.279 9.502 -21.829 248 HA ARG 23 HA ARG 23 29.841 9.265 -19.456 249 1HB ARG 23 2HB ARG 23 29.965 11.265 -21.101 250 2HB ARG 23 3HB ARG 23 28.790 10.414 -22.083 251 1HG ARG 23 2HG ARG 23 27.755 12.085 -20.499 252 2HG ARG 23 3HG ARG 23 27.137 10.457 -20.298 253 1HD ARG 23 2HD ARG 23 28.100 10.195 -18.209 254 2HD ARG 23 3HD ARG 23 29.532 11.112 -18.632 255 HE ARG 23 HE ARG 23 27.665 13.091 -18.602 256 1HH1 ARG 23 2HH2 ARG 23 28.290 10.488 -16.317 257 2HH1 ARG 23 1HH2 ARG 23 27.724 11.383 -14.947 258 1HH2 ARG 23 2HH1 ARG 23 26.918 14.272 -16.794 259 2HH2 ARG 23 1HH1 ARG 23 26.938 13.550 -15.220 260 H ASP 24 HN ASP 24 30.056 7.153 -22.070 261 HA ASP 24 HA ASP 24 27.421 6.093 -21.443 262 1HB ASP 24 2HB ASP 24 28.762 6.254 -24.182 263 2HB ASP 24 3HB ASP 24 27.334 5.289 -23.863 264 H GLN 25 HN GLN 25 30.252 5.560 -20.484 265 HA GLN 25 HA GLN 25 30.671 2.927 -21.649 266 1HB GLN 25 2HB GLN 25 32.456 4.999 -20.461 267 2HB GLN 25 3HB GLN 25 32.860 3.345 -20.044 268 1HG GLN 25 2HG GLN 25 32.206 3.773 -22.923 269 2HG GLN 25 3HG GLN 25 33.644 4.608 -22.372 270 1HE2 GLN 25 1HE2 GLN 25 35.448 3.502 -21.794 271 2HE2 GLN 25 2HE2 GLN 25 35.666 1.797 -22.006 272 H CYS 26 HN CYS 26 31.941 1.517 -19.695 273 HA CYS 26 HA CYS 26 30.069 1.632 -17.444 274 1HB CYS 26 2HB CYS 26 29.500 -0.267 -18.865 275 2HB CYS 26 3HB CYS 26 31.156 -0.838 -18.834 276 H ALA 27 HN ALA 27 31.080 1.791 -15.453 277 HA ALA 27 HA ALA 27 33.992 1.631 -15.465 278 1HB ALA 27 1HB ALA 27 32.635 3.649 -14.619 279 2HB ALA 27 2HB ALA 27 32.190 2.621 -13.235 280 3HB ALA 27 3HB ALA 27 33.899 3.016 -13.537 281 H TYR 28 HN TYR 28 32.372 -0.814 -15.668 282 HA TYR 28 HA TYR 28 33.177 -2.024 -13.113 283 1HB TYR 28 2HB TYR 28 30.610 -1.591 -13.689 284 2HB TYR 28 3HB TYR 28 30.816 -2.846 -14.895 285 HD1 TYR 28 HD1 TYR 28 30.402 -2.124 -11.354 286 HD2 TYR 28 HD2 TYR 28 31.350 -5.189 -14.184 287 HE1 TYR 28 HE1 TYR 28 29.941 -3.900 -9.595 288 HE2 TYR 28 HE2 TYR 28 30.886 -6.955 -12.415 289 HH TYR 28 HH TYR 28 30.934 -6.522 -9.383 290 H CYS 29 HN CYS 29 31.965 -2.960 -16.417 291 HA CYS 29 HA CYS 29 33.978 -5.061 -16.408 292 1HB CYS 29 2HB CYS 29 32.720 -6.025 -18.275 293 2HB CYS 29 3HB CYS 29 31.687 -5.765 -16.883 294 H LYS 30 HN LYS 30 33.535 -1.835 -17.349 295 HA LYS 30 HA LYS 30 34.764 -0.472 -18.588 296 1HB LYS 30 2HB LYS 30 36.446 -2.904 -18.591 297 2HB LYS 30 3HB LYS 30 36.733 -1.811 -19.930 298 1HG LYS 30 2HG LYS 30 36.595 -0.849 -17.039 299 2HG LYS 30 3HG LYS 30 38.092 -1.375 -17.782 300 1HD LYS 30 2HD LYS 30 38.345 0.626 -18.817 301 2HD LYS 30 3HD LYS 30 36.776 0.474 -19.585 302 1HE LYS 30 2HE LYS 30 35.907 2.046 -18.199 303 2HE LYS 30 3HE LYS 30 36.335 1.086 -16.797 304 1HZ LYS 30 1HZ LYS 30 38.397 2.114 -16.671 305 2HZ LYS 30 2HZ LYS 30 38.323 2.728 -18.182 306 3HZ LYS 30 3HZ LYS 30 37.375 3.343 -17.003 307 H GLU 31 HN GLU 31 32.393 -2.134 -19.495 308 HA GLU 31 HA GLU 31 32.913 -2.409 -22.304 309 1HB GLU 31 2HB GLU 31 31.506 -4.071 -21.122 310 2HB GLU 31 3HB GLU 31 30.368 -2.817 -20.672 311 1HG GLU 31 2HG GLU 31 29.686 -2.457 -22.952 312 2HG GLU 31 3HG GLU 31 31.066 -3.329 -23.589 313 H LYS 32 HN LYS 32 31.192 -1.427 -23.873 314 HA LYS 32 HA LYS 32 30.506 1.272 -22.943 315 1HB LYS 32 2HB LYS 32 32.569 0.996 -24.520 316 2HB LYS 32 3HB LYS 32 31.375 0.723 -25.772 317 1HG LYS 32 2HG LYS 32 30.710 3.042 -24.064 318 2HG LYS 32 3HG LYS 32 32.259 3.220 -24.863 319 1HD LYS 32 2HD LYS 32 30.708 2.236 -26.932 320 2HD LYS 32 3HD LYS 32 29.521 3.159 -26.033 321 1HE LYS 32 2HE LYS 32 31.342 5.064 -26.019 322 2HE LYS 32 3HE LYS 32 32.095 4.146 -27.309 323 1HZ LYS 32 1HZ LYS 32 29.368 5.231 -27.299 324 2HZ LYS 32 2HZ LYS 32 30.610 5.697 -28.251 325 3HZ LYS 32 3HZ LYS 32 29.932 4.225 -28.455 326 H GLY 33 HN GLY 33 28.411 1.870 -23.267 327 1HA GLY 33 1HA GLY 33 26.600 1.766 -24.992 328 2HA GLY 33 2HA GLY 33 26.764 0.024 -24.889 329 H HIS 34 HN HIS 34 27.430 0.307 -21.875 330 HA HIS 34 HA HIS 34 24.775 1.071 -20.938 331 1HB HIS 34 2HB HIS 34 24.506 -0.936 -19.672 332 2HB HIS 34 3HB HIS 34 24.812 -1.378 -21.341 333 HD1 HIS 34 HD1 HIS 34 26.967 -2.702 -21.868 334 HD2 HIS 34 HD2 HIS 34 26.627 -1.556 -17.848 335 HE1 HIS 34 HE1 HIS 34 28.773 -3.986 -20.604 336 H TRP 35 HN TRP 35 24.774 1.199 -18.434 337 HA TRP 35 HA TRP 35 27.296 2.475 -17.673 338 1HB TRP 35 2HB TRP 35 24.432 2.885 -16.973 339 2HB TRP 35 3HB TRP 35 25.623 3.209 -15.729 340 HD1 TRP 35 HD1 TRP 35 25.718 4.109 -19.543 341 HE1 TRP 35 HE1 TRP 35 26.223 6.679 -19.866 342 HE3 TRP 35 HE3 TRP 35 25.844 5.245 -14.588 343 HZ2 TRP 35 HZ2 TRP 35 26.610 8.849 -18.055 344 HZ3 TRP 35 HZ3 TRP 35 26.291 7.612 -13.951 345 HH2 TRP 35 HH2 TRP 35 26.667 9.385 -15.591 346 H ALA 36 HN ALA 36 28.040 2.086 -15.387 347 HA ALA 36 HA ALA 36 28.308 -0.626 -14.875 348 1HB ALA 36 1HB ALA 36 28.627 1.773 -13.024 349 2HB ALA 36 2HB ALA 36 29.287 0.145 -12.730 350 3HB ALA 36 3HB ALA 36 29.874 1.109 -14.108 351 H LYS 37 HN LYS 37 25.983 1.823 -13.633 352 HA LYS 37 HA LYS 37 24.872 0.203 -11.644 353 1HB LYS 37 2HB LYS 37 24.143 2.716 -13.063 354 2HB LYS 37 3HB LYS 37 22.842 1.864 -12.257 355 1HG LYS 37 2HG LYS 37 23.555 2.979 -10.392 356 2HG LYS 37 3HG LYS 37 24.781 1.729 -10.314 357 1HD LYS 37 2HD LYS 37 25.885 3.539 -12.133 358 2HD LYS 37 3HD LYS 37 25.059 4.596 -11.005 359 1HE LYS 37 2HE LYS 37 26.441 2.511 -9.519 360 2HE LYS 37 3HE LYS 37 27.564 3.258 -10.637 361 1HZ LYS 37 1HZ LYS 37 25.980 4.566 -8.554 362 2HZ LYS 37 2HZ LYS 37 27.604 4.561 -8.738 363 3HZ LYS 37 3HZ LYS 37 26.668 5.422 -9.763 364 H ASP 38 HN ASP 38 24.834 -0.065 -15.071 365 HA ASP 38 HA ASP 38 22.557 -1.870 -14.826 366 1HB ASP 38 2HB ASP 38 22.481 0.393 -16.311 367 2HB ASP 38 3HB ASP 38 23.272 -0.642 -17.483 368 H CYS 39 HN CYS 39 25.532 -2.283 -14.506 369 HA CYS 39 HA CYS 39 26.565 -3.373 -16.884 370 1HB CYS 39 2HB CYS 39 27.963 -2.554 -15.000 371 2HB CYS 39 3HB CYS 39 27.415 -3.898 -14.016 372 HA PRO 40 HA PRO 40 24.409 -7.176 -16.668 373 1HB PRO 40 2HB PRO 40 25.654 -8.477 -18.724 374 2HB PRO 40 3HB PRO 40 24.335 -7.347 -18.964 375 1HG PRO 40 2HG PRO 40 27.223 -6.959 -19.464 376 2HG PRO 40 3HG PRO 40 25.867 -6.032 -20.078 377 1HD PRO 40 2HD PRO 40 27.651 -5.271 -17.964 378 2HD PRO 40 3HD PRO 40 26.228 -4.400 -18.500 379 H LYS 41 HN LYS 41 27.405 -6.616 -15.589 380 HA LYS 41 HA LYS 41 27.897 -9.448 -15.041 381 1HB LYS 41 2HB LYS 41 29.581 -7.212 -15.698 382 2HB LYS 41 3HB LYS 41 30.027 -7.810 -14.112 383 1HG LYS 41 2HG LYS 41 29.718 -10.192 -15.429 384 2HG LYS 41 3HG LYS 41 30.191 -9.173 -16.774 385 1HD LYS 41 2HD LYS 41 32.342 -9.464 -16.105 386 2HD LYS 41 3HD LYS 41 31.978 -8.413 -14.751 387 1HE LYS 41 2HE LYS 41 32.475 -10.179 -13.405 388 2HE LYS 41 3HE LYS 41 30.944 -10.869 -13.903 389 1HZ LYS 41 1HZ LYS 41 33.117 -12.160 -14.265 390 2HZ LYS 41 2HZ LYS 41 31.965 -12.203 -15.422 391 3HZ LYS 41 3HZ LYS 41 33.272 -11.242 -15.606 392 H LYS 42 HN LYS 42 26.667 -6.498 -13.688 393 HA LYS 42 HA LYS 42 27.381 -6.969 -11.000 394 1HB LYS 42 2HB LYS 42 25.606 -5.131 -12.508 395 2HB LYS 42 3HB LYS 42 25.148 -5.425 -10.842 396 1HG LYS 42 2HG LYS 42 27.987 -5.077 -10.831 397 2HG LYS 42 3HG LYS 42 27.349 -3.822 -11.874 398 1HD LYS 42 2HD LYS 42 26.111 -4.373 -9.151 399 2HD LYS 42 3HD LYS 42 27.514 -3.334 -9.310 400 1HE LYS 42 2HE LYS 42 25.912 -2.282 -11.281 401 2HE LYS 42 3HE LYS 42 24.688 -2.854 -10.165 402 1HZ LYS 42 1HZ LYS 42 26.629 -0.764 -9.813 403 2HZ LYS 42 2HZ LYS 42 25.116 -0.895 -9.212 404 3HZ LYS 42 3HZ LYS 42 26.351 -1.687 -8.494 405 HA PRO 43 HA PRO 43 24.500 -9.983 -9.893 406 1HB PRO 43 2HB PRO 43 24.204 -9.521 -7.216 407 2HB PRO 43 3HB PRO 43 25.570 -10.384 -7.893 408 1HG PRO 43 2HG PRO 43 25.456 -7.621 -6.847 409 2HG PRO 43 3HG PRO 43 26.860 -8.632 -7.125 410 1HD PRO 43 2HD PRO 43 25.958 -6.459 -8.765 411 2HD PRO 43 3HD PRO 43 27.292 -7.544 -9.103 412 H ARG 44 HN ARG 44 22.618 -9.771 -10.991 413 HA ARG 44 HA ARG 44 20.837 -7.800 -9.828 414 1HB ARG 44 2HB ARG 44 21.358 -8.766 -12.552 415 2HB ARG 44 3HB ARG 44 19.650 -8.875 -12.176 416 1HG ARG 44 2HG ARG 44 21.262 -6.349 -11.621 417 2HG ARG 44 3HG ARG 44 20.498 -6.637 -13.172 418 1HD ARG 44 2HD ARG 44 18.278 -6.876 -12.031 419 2HD ARG 44 3HD ARG 44 19.043 -6.581 -10.483 420 HE ARG 44 HE ARG 44 19.104 -4.296 -10.979 421 1HH1 ARG 44 2HH2 ARG 44 18.645 -6.102 -13.963 422 2HH1 ARG 44 1HH2 ARG 44 18.392 -4.688 -14.930 423 1HH2 ARG 44 2HH1 ARG 44 18.769 -2.429 -12.253 424 2HH2 ARG 44 1HH1 ARG 44 18.463 -2.584 -13.952 425 H GLY 45 HN GLY 45 20.389 -9.305 -7.979 426 1HA GLY 45 1HA GLY 45 18.140 -10.424 -7.616 427 2HA GLY 45 2HA GLY 45 18.733 -11.627 -8.744 428 HA PRO 46 HA PRO 46 17.543 -12.804 -7.524 429 1HB PRO 46 2HB PRO 46 16.302 -14.074 -5.447 430 2HB PRO 46 3HB PRO 46 17.320 -14.904 -6.606 431 1HG PRO 46 2HG PRO 46 17.924 -14.159 -3.810 432 2HG PRO 46 3HG PRO 46 18.729 -15.334 -4.831 433 1HD PRO 46 2HD PRO 46 19.670 -12.707 -4.165 434 2HD PRO 46 3HD PRO 46 20.416 -13.837 -5.277 435 H ARG 47 HN ARG 47 15.332 -12.091 -7.489 436 HA ARG 47 HA ARG 47 13.745 -10.717 -6.946 437 1HB ARG 47 2HB ARG 47 14.741 -11.339 -4.434 438 2HB ARG 47 3HB ARG 47 14.911 -9.595 -4.436 439 1HG ARG 47 2HG ARG 47 12.667 -9.281 -4.228 440 2HG ARG 47 3HG ARG 47 12.316 -10.377 -5.549 441 1HD ARG 47 2HD ARG 47 12.732 -12.320 -3.928 442 2HD ARG 47 3HD ARG 47 12.833 -11.140 -2.637 443 HE ARG 47 HE ARG 47 10.436 -10.528 -3.922 444 1HH1 ARG 47 2HH2 ARG 47 11.788 -13.406 -2.415 445 2HH1 ARG 47 1HH2 ARG 47 10.246 -14.042 -1.947 446 1HH2 ARG 47 2HH1 ARG 47 8.401 -11.366 -3.307 447 2HH2 ARG 47 1HH1 ARG 47 8.307 -12.874 -2.457 448 H GLY 48 HN GLY 48 14.071 -9.163 -8.570 449 1HA GLY 48 1HA GLY 48 16.093 -7.484 -9.053 450 2HA GLY 48 2HA GLY 48 14.416 -7.038 -9.290 451 HA PRO 49 HA PRO 49 16.101 -5.203 -5.223 452 1HB PRO 49 2HB PRO 49 18.764 -4.587 -5.236 453 2HB PRO 49 3HB PRO 49 18.119 -6.033 -4.485 454 1HG PRO 49 2HG PRO 49 19.591 -5.768 -7.035 455 2HG PRO 49 3HG PRO 49 19.316 -7.205 -6.071 456 1HD PRO 49 2HD PRO 49 17.966 -6.482 -8.496 457 2HD PRO 49 3HD PRO 49 17.612 -7.858 -7.469 458 H ARG 50 HN ARG 50 14.776 -4.031 -7.137 459 HA ARG 50 HA ARG 50 15.912 -2.047 -8.517 460 1HB ARG 50 2HB ARG 50 13.406 -2.797 -8.304 461 2HB ARG 50 3HB ARG 50 13.291 -1.600 -7.030 462 1HG ARG 50 2HG ARG 50 13.859 0.206 -8.536 463 2HG ARG 50 3HG ARG 50 14.382 -0.904 -9.788 464 1HD ARG 50 2HD ARG 50 12.270 -0.551 -10.627 465 2HD ARG 50 3HD ARG 50 11.811 -1.780 -9.466 466 HE ARG 50 HE ARG 50 11.848 0.897 -8.296 467 1HH1 ARG 50 2HH2 ARG 50 9.915 -1.385 -10.151 468 2HH1 ARG 50 1HH2 ARG 50 8.404 -0.676 -9.690 469 1HH2 ARG 50 2HH1 ARG 50 9.855 1.832 -7.687 470 2HH2 ARG 50 1HH1 ARG 50 8.370 1.167 -8.278 471 HA PRO 51 HA PRO 51 17.311 0.816 -5.527 472 1HB PRO 51 2HB PRO 51 17.775 2.983 -7.126 473 2HB PRO 51 3HB PRO 51 18.903 1.651 -6.967 474 1HG PRO 51 2HG PRO 51 17.086 2.283 -9.211 475 2HG PRO 51 3HG PRO 51 18.493 1.238 -9.199 476 1HD PRO 51 2HD PRO 51 15.746 0.416 -9.161 477 2HD PRO 51 3HD PRO 51 17.152 -0.622 -9.032 478 H GLN 52 HN GLN 52 16.806 2.675 -4.255 479 HA GLN 52 HA GLN 52 14.010 3.322 -4.697 480 1HB GLN 52 2HB GLN 52 15.765 3.065 -2.293 481 2HB GLN 52 3HB GLN 52 14.568 4.344 -2.221 482 1HG GLN 52 2HG GLN 52 13.512 1.774 -3.278 483 2HG GLN 52 3HG GLN 52 14.089 1.673 -1.626 484 1HE2 GLN 52 1HE2 GLN 52 11.904 3.308 -3.831 485 2HE2 GLN 52 2HE2 GLN 52 10.783 3.913 -2.657 486 H THR 53 HN THR 53 13.437 5.682 -3.837 487 HA THR 53 HA THR 53 15.124 7.472 -5.376 488 HB THR 53 HB THR 53 12.597 7.408 -5.555 489 HG1 THR 53 HG1 THR 53 14.094 9.360 -5.811 490 1HG2 THR 53 1HG2 THR 53 12.176 9.092 -3.196 491 2HG2 THR 53 2HG2 THR 53 11.258 7.660 -3.719 492 3HG2 THR 53 3HG2 THR 53 12.713 7.466 -2.712 493 H SER 54 HN SER 54 16.448 9.051 -4.622 494 HA SER 54 HA SER 54 16.895 8.948 -1.768 495 1HB SER 54 2HB SER 54 18.542 10.386 -3.890 496 2HB SER 54 3HB SER 54 19.034 10.024 -2.248 497 HG SER 54 HG SER 54 19.179 7.830 -2.730 498 H LEU 55 HN LEU 55 15.473 10.319 -0.704 499 HA LEU 55 HA LEU 55 15.093 12.980 -1.868 500 1HB LEU 55 2HB LEU 55 13.328 11.072 -0.719 501 2HB LEU 55 3HB LEU 55 13.374 12.456 0.354 502 HG LEU 55 HG LEU 55 13.130 13.347 -2.387 503 1HD1 LEU 55 1HD1 LEU 55 10.637 11.922 -1.686 504 2HD1 LEU 55 2HD1 LEU 55 11.409 12.195 -3.266 505 3HD1 LEU 55 3HD1 LEU 55 11.995 10.894 -2.202 506 1HD2 LEU 55 1HD2 LEU 55 11.126 13.558 -0.131 507 2HD2 LEU 55 2HD2 LEU 55 12.578 14.578 -0.261 508 3HD2 LEU 55 3HD2 LEU 55 11.330 14.641 -1.528 509 H LEU 56 HN LEU 56 15.365 11.435 1.416 510 HA LEU 56 HA LEU 56 17.498 13.206 2.100 511 1HB LEU 56 2HB LEU 56 15.020 14.307 2.383 512 2HB LEU 56 3HB LEU 56 15.250 13.585 3.963 513 HG LEU 56 HG LEU 56 17.268 15.446 2.686 514 1HD1 LEU 56 1HD1 LEU 56 14.682 16.101 3.688 515 2HD1 LEU 56 2HD1 LEU 56 15.895 16.710 4.839 516 3HD1 LEU 56 3HD1 LEU 56 15.974 17.189 3.126 517 1HD2 LEU 56 1HD2 LEU 56 17.990 13.851 4.522 518 2HD2 LEU 56 2HD2 LEU 56 18.289 15.582 4.811 519 3HD2 LEU 56 3HD2 LEU 56 16.921 14.769 5.610 Start of MODEL 13 1 1H5* C 504 1H5* C 504 37.662 -7.892 -1.650 2 2H5* C 504 2H5* C 504 38.399 -7.329 -3.149 3 H4* C 504 H4* C 504 37.117 -9.528 -3.217 4 H3* C 504 H3* C 504 36.038 -7.527 -5.221 5 H2* C 504 H2* C 504 35.878 -9.502 -6.516 6 2HO* C 504 2HO* C 504 37.337 -11.053 -4.692 7 H1* C 504 H1* C 504 34.976 -11.126 -4.570 8 1H4 C 504 1H4 C 504 29.591 -8.056 -6.018 9 2H4 C 504 2H4 C 504 30.165 -6.619 -5.202 10 H5 C 504 H5 C 504 32.312 -6.424 -4.237 11 H6 C 504 H6 C 504 34.457 -7.570 -3.812 12 1H5* C 505 1H5* C 505 40.401 -7.123 -7.338 13 2H5* C 505 2H5* C 505 40.038 -5.728 -8.354 14 H4* C 505 H4* C 505 40.459 -7.837 -9.605 15 H3* C 505 H3* C 505 37.923 -6.283 -9.943 16 H2* C 505 H2* C 505 37.134 -7.825 -11.566 17 2HO* C 505 2HO* C 505 39.565 -9.291 -11.226 18 H1* C 505 H1* C 505 37.814 -10.061 -9.973 19 1H4 C 505 1H4 C 505 31.557 -9.217 -9.005 20 2H4 C 505 2H4 C 505 31.920 -7.963 -7.842 21 H5 C 505 H5 C 505 34.099 -7.157 -7.411 22 H6 C 505 H6 C 505 36.489 -7.360 -7.996 23 1H5* U 506 1H5* U 506 39.522 -2.330 -10.013 24 2H5* U 506 2H5* U 506 38.355 -2.647 -8.730 25 H4* U 506 H4* U 506 37.453 -1.630 -10.862 26 H3* U 506 H3* U 506 36.272 -4.166 -9.713 27 H2* U 506 H2* U 506 34.553 -4.021 -11.297 28 2HO* U 506 2HO* U 506 35.591 -1.362 -11.704 29 H1* U 506 H1* U 506 36.409 -2.927 -13.273 30 H3 U 506 H3 U 506 36.399 -6.542 -15.942 31 H5 U 506 H5 U 506 34.872 -8.035 -12.339 32 H6 U 506 H6 U 506 35.321 -5.836 -11.352 33 1H5* C 507 1H5* C 507 34.599 0.061 -10.614 34 2H5* C 507 2H5* C 507 34.238 0.313 -8.906 35 H4* C 507 H4* C 507 33.015 1.587 -10.985 36 H3* C 507 H3* C 507 32.254 1.167 -8.123 37 H2* C 507 H2* C 507 30.111 2.124 -8.485 38 2HO* C 507 2HO* C 507 30.469 2.518 -11.220 39 H1* C 507 H1* C 507 29.586 0.581 -10.752 40 1H4 C 507 1H4 C 507 27.049 -2.645 -5.839 41 2H4 C 507 2H4 C 507 28.567 -3.498 -5.664 42 H5 C 507 H5 C 507 30.516 -2.979 -6.895 43 H6 C 507 H6 C 507 31.497 -1.501 -8.611 44 1H5* C 508 1H5* C 508 36.078 4.806 -7.223 45 2H5* C 508 2H5* C 508 34.393 4.734 -6.708 46 H4* C 508 H4* C 508 34.797 6.978 -6.546 47 H3* C 508 H3* C 508 33.388 6.329 -9.004 48 H2* C 508 H2* C 508 33.989 8.187 -10.285 49 2HO* C 508 2HO* C 508 35.206 9.891 -8.843 50 H1* C 508 H1* C 508 36.625 8.278 -9.820 51 1H4 C 508 1H4 C 508 36.822 2.401 -12.661 52 2H4 C 508 2H4 C 508 35.602 3.124 -13.687 53 H5 C 508 H5 C 508 34.592 5.214 -13.257 54 H6 C 508 H6 C 508 34.501 7.147 -11.723 55 1H5* G 509 1H5* G 509 32.551 9.676 -9.740 56 2H5* G 509 2H5* G 509 31.069 10.125 -8.897 57 H4* G 509 H4* G 509 30.967 11.030 -11.095 58 H3* G 509 H3* G 509 29.126 8.709 -10.611 59 H2* G 509 H2* G 509 28.229 8.939 -12.799 60 2HO* G 509 2HO* G 509 29.962 11.076 -13.417 61 H1* G 509 H1* G 509 30.740 9.083 -14.020 62 H8 G 509 H8 G 509 29.955 6.762 -11.072 63 H1 G 509 H1 G 509 29.970 3.951 -16.901 64 1H2 G 509 1H2 G 509 30.291 5.379 -18.353 65 2H2 G 509 2H2 G 509 30.522 7.085 -18.038 66 1H5* U 510 1H5* U 510 26.497 12.881 -7.875 67 2H5* U 510 2H5* U 510 25.793 11.289 -7.596 68 H4* U 510 H4* U 510 24.267 13.384 -7.920 69 H3* U 510 H3* U 510 23.794 10.630 -9.049 70 H2* U 510 H2* U 510 21.707 11.361 -9.894 71 2HO* U 510 2HO* U 510 22.102 13.943 -8.787 72 H1* U 510 H1* U 510 22.850 13.830 -10.805 73 H3 U 510 H3 U 510 22.087 12.487 -14.988 74 H5 U 510 H5 U 510 23.887 9.105 -13.298 75 H6 U 510 H6 U 510 23.993 10.340 -11.182 76 1H ALA 1 HN ALA 1 17.697 28.093 -16.116 77 HA ALA 1 HA ALA 1 19.024 27.605 -14.056 78 1HB ALA 1 1HB ALA 1 18.003 30.300 -13.562 79 2HB ALA 1 2HB ALA 1 17.609 29.189 -12.228 80 3HB ALA 1 3HB ALA 1 19.302 29.408 -12.733 81 H THR 2 HN THR 2 17.824 25.703 -14.659 82 HA THR 2 HA THR 2 15.207 25.574 -13.313 83 HB THR 2 HB THR 2 14.455 24.130 -15.183 84 HG1 THR 2 HG1 THR 2 17.076 24.845 -16.283 85 1HG2 THR 2 1HG2 THR 2 13.910 26.188 -16.087 86 2HG2 THR 2 2HG2 THR 2 15.507 26.878 -15.706 87 3HG2 THR 2 3HG2 THR 2 15.296 25.869 -17.159 88 H VAL 3 HN VAL 3 16.646 24.965 -11.460 89 HA VAL 3 HA VAL 3 16.583 22.178 -11.168 90 HB VAL 3 HB VAL 3 18.542 22.362 -12.682 91 1HG1 VAL 3 1HG1 VAL 3 19.568 24.410 -12.180 92 2HG1 VAL 3 2HG1 VAL 3 19.593 24.079 -10.431 93 3HG1 VAL 3 3HG1 VAL 3 20.692 23.198 -11.520 94 1HG2 VAL 3 1HG2 VAL 3 18.331 20.965 -10.188 95 2HG2 VAL 3 2HG2 VAL 3 19.135 20.456 -11.692 96 3HG2 VAL 3 3HG2 VAL 3 20.039 21.379 -10.468 97 H VAL 4 HN VAL 4 16.551 21.690 -8.984 98 HA VAL 4 HA VAL 4 17.520 23.775 -7.175 99 HB VAL 4 HB VAL 4 14.796 22.468 -7.157 100 1HG1 VAL 4 1HG1 VAL 4 14.489 22.994 -4.989 101 2HG1 VAL 4 2HG1 VAL 4 16.268 23.027 -4.909 102 3HG1 VAL 4 3HG1 VAL 4 15.358 24.540 -5.138 103 1HG2 VAL 4 1HG2 VAL 4 13.903 24.662 -7.466 104 2HG2 VAL 4 2HG2 VAL 4 15.499 25.416 -7.228 105 3HG2 VAL 4 3HG2 VAL 4 15.181 24.444 -8.686 106 H SER 5 HN SER 5 19.258 22.681 -6.334 107 HA SER 5 HA SER 5 18.619 20.057 -5.232 108 1HB SER 5 2HB SER 5 20.798 19.254 -5.787 109 2HB SER 5 3HB SER 5 20.221 20.068 -7.228 110 HG SER 5 HG SER 5 21.938 21.327 -7.115 111 H GLY 6 HN GLY 6 19.682 19.537 -3.171 112 1HA GLY 6 1HA GLY 6 21.147 21.676 -1.843 113 2HA GLY 6 2HA GLY 6 19.568 21.294 -1.182 114 H GLN 7 HN GLN 7 22.654 19.701 -2.235 115 HA GLN 7 HA GLN 7 22.617 18.207 0.205 116 1HB GLN 7 2HB GLN 7 22.019 16.972 -2.450 117 2HB GLN 7 3HB GLN 7 23.166 16.103 -1.450 118 1HG GLN 7 2HG GLN 7 21.284 16.648 0.443 119 2HG GLN 7 3HG GLN 7 20.251 16.639 -0.972 120 1HE2 GLN 7 1HE2 GLN 7 21.483 14.800 1.430 121 2HE2 GLN 7 2HE2 GLN 7 21.393 13.216 0.737 122 H LYS 8 HN LYS 8 24.617 18.864 0.914 123 HA LYS 8 HA LYS 8 26.817 18.613 -1.020 124 1HB LYS 8 2HB LYS 8 26.324 20.954 -0.405 125 2HB LYS 8 3HB LYS 8 26.556 20.564 1.287 126 1HG LYS 8 2HG LYS 8 28.872 19.549 0.035 127 2HG LYS 8 3HG LYS 8 28.568 21.058 -0.801 128 1HD LYS 8 2HD LYS 8 28.676 22.341 1.223 129 2HD LYS 8 3HD LYS 8 28.488 20.922 2.235 130 1HE LYS 8 2HE LYS 8 30.804 21.375 2.393 131 2HE LYS 8 3HE LYS 8 30.738 20.103 1.189 132 1HZ LYS 8 1HZ LYS 8 30.422 22.571 -0.070 133 2HZ LYS 8 2HZ LYS 8 31.747 22.643 0.882 134 3HZ LYS 8 3HZ LYS 8 31.623 21.480 -0.258 135 H GLN 9 HN GLN 9 26.746 16.283 -0.339 136 HA GLN 9 HA GLN 9 28.498 16.006 1.930 137 1HB GLN 9 2HB GLN 9 25.736 15.452 2.182 138 2HB GLN 9 3HB GLN 9 26.488 13.881 2.001 139 1HG GLN 9 2HG GLN 9 28.245 14.967 3.766 140 2HG GLN 9 3HG GLN 9 26.831 15.913 4.189 141 1HE2 GLN 9 1HE2 GLN 9 26.955 14.852 6.233 142 2HE2 GLN 9 2HE2 GLN 9 26.273 13.277 6.469 143 H ASP 10 HN ASP 10 30.235 15.138 0.850 144 HA ASP 10 HA ASP 10 29.875 12.566 -0.293 145 1HB ASP 10 2HB ASP 10 29.572 14.667 -2.068 146 2HB ASP 10 3HB ASP 10 31.296 14.380 -2.188 147 H ARG 11 HN ARG 11 32.083 11.593 -0.800 148 HA ARG 11 HA ARG 11 34.414 13.007 -0.457 149 1HB ARG 11 2HB ARG 11 33.259 12.829 2.002 150 2HB ARG 11 3HB ARG 11 34.080 11.281 1.989 151 1HG ARG 11 2HG ARG 11 36.239 12.423 1.463 152 2HG ARG 11 3HG ARG 11 35.422 13.974 1.455 153 1HD ARG 11 2HD ARG 11 35.594 14.131 3.715 154 2HD ARG 11 3HD ARG 11 34.764 12.603 3.925 155 HE ARG 11 HE ARG 11 37.675 13.030 3.916 156 1HH1 ARG 11 2HH2 ARG 11 35.073 10.678 3.642 157 2HH1 ARG 11 1HH2 ARG 11 36.071 9.332 4.078 158 1HH2 ARG 11 2HH1 ARG 11 38.993 11.255 4.491 159 2HH2 ARG 11 1HH1 ARG 11 38.317 9.662 4.565 160 H GLN 12 HN GLN 12 35.260 11.703 -2.105 161 HA GLN 12 HA GLN 12 36.272 9.228 -1.408 162 1HB GLN 12 2HB GLN 12 33.537 9.145 -2.406 163 2HB GLN 12 3HB GLN 12 34.601 8.316 -3.525 164 1HG GLN 12 2HG GLN 12 35.582 7.307 -1.196 165 2HG GLN 12 3HG GLN 12 33.943 7.643 -0.672 166 1HE2 GLN 12 1HE2 GLN 12 35.997 5.544 -2.325 167 2HE2 GLN 12 2HE2 GLN 12 34.832 4.466 -3.020 168 H GLY 13 HN GLY 13 37.658 8.358 -3.114 169 1HA GLY 13 1HA GLY 13 37.746 9.088 -5.745 170 2HA GLY 13 2HA GLY 13 38.571 10.394 -4.916 171 H GLY 14 HN GLY 14 39.271 7.763 -6.642 172 1HA GLY 14 1HA GLY 14 41.819 7.365 -5.321 173 2HA GLY 14 2HA GLY 14 40.774 5.959 -5.344 174 H GLU 15 HN GLU 15 41.571 8.624 -7.698 175 HA GLU 15 HA GLU 15 42.860 6.832 -9.431 176 1HB GLU 15 2HB GLU 15 39.977 7.060 -9.713 177 2HB GLU 15 3HB GLU 15 40.754 7.713 -11.142 178 1HG GLU 15 2HG GLU 15 41.710 5.671 -11.739 179 2HG GLU 15 3HG GLU 15 41.837 5.116 -10.082 180 H ARG 16 HN ARG 16 43.216 8.034 -11.695 181 HA ARG 16 HA ARG 16 44.233 10.557 -10.981 182 1HB ARG 16 2HB ARG 16 44.554 8.645 -13.121 183 2HB ARG 16 3HB ARG 16 44.193 10.194 -13.855 184 1HG ARG 16 2HG ARG 16 46.502 10.395 -13.634 185 2HG ARG 16 3HG ARG 16 45.997 11.107 -12.114 186 1HD ARG 16 2HD ARG 16 46.440 9.052 -10.896 187 2HD ARG 16 3HD ARG 16 46.625 8.133 -12.377 188 HE ARG 16 HE ARG 16 48.502 10.386 -12.104 189 1HH1 ARG 16 2HH2 ARG 16 47.945 6.960 -11.522 190 2HH1 ARG 16 1HH2 ARG 16 49.631 6.574 -11.413 191 1HH2 ARG 16 2HH1 ARG 16 50.725 9.877 -11.961 192 2HH2 ARG 16 1HH1 ARG 16 51.222 8.245 -11.664 193 H ARG 17 HN ARG 17 41.735 9.427 -13.381 194 HA ARG 17 HA ARG 17 39.922 11.363 -12.762 195 1HB ARG 17 2HB ARG 17 42.080 12.445 -14.321 196 2HB ARG 17 3HB ARG 17 40.696 12.340 -15.392 197 1HG ARG 17 2HG ARG 17 39.635 13.331 -12.961 198 2HG ARG 17 3HG ARG 17 41.165 14.165 -13.143 199 1HD ARG 17 2HD ARG 17 40.539 14.963 -15.380 200 2HD ARG 17 3HD ARG 17 39.087 13.982 -15.374 201 HE ARG 17 HE ARG 17 38.036 15.546 -13.959 202 1HH1 ARG 17 2HH2 ARG 17 41.481 16.237 -14.168 203 2HH1 ARG 17 1HH2 ARG 17 41.351 17.772 -13.379 204 1HH2 ARG 17 2HH1 ARG 17 37.864 17.573 -12.916 205 2HH2 ARG 17 1HH1 ARG 17 39.279 18.538 -12.662 206 H ARG 18 HN ARG 18 38.672 9.394 -13.076 207 HA ARG 18 HA ARG 18 37.652 7.807 -14.172 208 1HB ARG 18 2HB ARG 18 37.194 10.333 -15.732 209 2HB ARG 18 3HB ARG 18 36.664 8.852 -16.503 210 1HG ARG 18 2HG ARG 18 35.147 8.322 -14.734 211 2HG ARG 18 3HG ARG 18 35.929 9.418 -13.611 212 1HD ARG 18 2HD ARG 18 35.109 11.004 -15.857 213 2HD ARG 18 3HD ARG 18 33.755 9.967 -15.458 214 HE ARG 18 HE ARG 18 33.544 11.041 -13.359 215 1HH1 ARG 18 2HH2 ARG 18 36.481 12.086 -14.992 216 2HH1 ARG 18 1HH2 ARG 18 36.771 13.400 -13.902 217 1HH2 ARG 18 2HH1 ARG 18 33.927 12.775 -11.921 218 2HH2 ARG 18 1HH1 ARG 18 35.309 13.795 -12.144 219 H SER 19 HN SER 19 39.883 6.753 -14.540 220 HA SER 19 HA SER 19 41.434 7.001 -16.680 221 1HB SER 19 2HB SER 19 40.811 4.903 -14.774 222 2HB SER 19 3HB SER 19 41.099 4.180 -16.345 223 HG SER 19 HG SER 19 43.042 5.917 -16.193 224 H GLN 20 HN GLN 20 40.525 7.518 -18.694 225 HA GLN 20 HA GLN 20 39.208 7.357 -20.454 226 1HB GLN 20 2HB GLN 20 40.751 4.813 -20.199 227 2HB GLN 20 3HB GLN 20 39.468 4.797 -21.393 228 1HG GLN 20 2HG GLN 20 40.470 7.097 -22.183 229 2HG GLN 20 3HG GLN 20 41.885 6.633 -21.259 230 1HE2 GLN 20 1HE2 GLN 20 42.906 6.741 -23.371 231 2HE2 GLN 20 2HE2 GLN 20 42.891 5.357 -24.412 232 H LEU 21 HN LEU 21 37.457 7.372 -18.420 233 HA LEU 21 HA LEU 21 35.700 5.067 -18.874 234 1HB LEU 21 2HB LEU 21 36.374 5.313 -16.581 235 2HB LEU 21 3HB LEU 21 35.917 7.005 -16.571 236 HG LEU 21 HG LEU 21 34.376 5.152 -15.508 237 1HD1 LEU 21 1HD1 LEU 21 32.949 6.843 -15.251 238 2HD1 LEU 21 2HD1 LEU 21 34.033 7.785 -16.303 239 3HD1 LEU 21 3HD1 LEU 21 32.625 6.945 -16.999 240 1HD2 LEU 21 1HD2 LEU 21 32.531 4.566 -17.155 241 2HD2 LEU 21 2HD2 LEU 21 33.677 5.011 -18.443 242 3HD2 LEU 21 3HD2 LEU 21 34.067 3.682 -17.325 243 H ASP 22 HN ASP 22 34.834 5.794 -20.878 244 HA ASP 22 HA ASP 22 34.022 8.284 -21.477 245 1HB ASP 22 2HB ASP 22 33.588 5.628 -22.461 246 2HB ASP 22 3HB ASP 22 32.010 6.387 -22.392 247 H ARG 23 HN ARG 23 31.913 9.406 -21.329 248 HA ARG 23 HA ARG 23 30.689 9.045 -18.855 249 1HB ARG 23 2HB ARG 23 30.115 10.741 -21.306 250 2HB ARG 23 3HB ARG 23 28.945 10.701 -20.002 251 1HG ARG 23 2HG ARG 23 31.898 11.331 -19.558 252 2HG ARG 23 3HG ARG 23 30.697 12.570 -19.866 253 1HD ARG 23 2HD ARG 23 30.227 10.554 -17.647 254 2HD ARG 23 3HD ARG 23 31.300 11.911 -17.368 255 HE ARG 23 HE ARG 23 28.950 12.983 -18.522 256 1HH1 ARG 23 2HH2 ARG 23 29.855 11.257 -15.593 257 2HH1 ARG 23 1HH2 ARG 23 28.595 11.961 -14.635 258 1HH2 ARG 23 2HH1 ARG 23 27.287 13.913 -17.260 259 2HH2 ARG 23 1HH1 ARG 23 27.124 13.482 -15.590 260 H ASP 24 HN ASP 24 30.412 7.252 -21.696 261 HA ASP 24 HA ASP 24 27.734 6.413 -20.921 262 1HB ASP 24 2HB ASP 24 27.991 7.759 -23.164 263 2HB ASP 24 3HB ASP 24 28.746 6.304 -23.786 264 H GLN 25 HN GLN 25 30.584 5.493 -20.304 265 HA GLN 25 HA GLN 25 30.385 2.855 -21.535 266 1HB GLN 25 2HB GLN 25 32.393 3.921 -22.352 267 2HB GLN 25 3HB GLN 25 32.840 4.472 -20.750 268 1HG GLN 25 2HG GLN 25 33.226 2.164 -19.998 269 2HG GLN 25 3HG GLN 25 32.606 1.523 -21.507 270 1HE2 GLN 25 1HE2 GLN 25 35.247 1.369 -20.120 271 2HE2 GLN 25 2HE2 GLN 25 36.436 1.836 -21.291 272 H CYS 26 HN CYS 26 30.452 1.048 -20.168 273 HA CYS 26 HA CYS 26 29.676 1.420 -17.539 274 1HB CYS 26 2HB CYS 26 29.183 -0.614 -18.821 275 2HB CYS 26 3HB CYS 26 30.882 -1.040 -18.846 276 H ALA 27 HN ALA 27 30.839 1.699 -15.634 277 HA ALA 27 HA ALA 27 33.750 1.787 -15.932 278 1HB ALA 27 1HB ALA 27 32.186 2.855 -13.579 279 2HB ALA 27 2HB ALA 27 33.745 3.405 -14.239 280 3HB ALA 27 3HB ALA 27 32.235 3.762 -15.111 281 H TYR 28 HN TYR 28 32.229 -0.746 -15.736 282 HA TYR 28 HA TYR 28 33.331 -1.654 -13.164 283 1HB TYR 28 2HB TYR 28 30.719 -1.454 -13.533 284 2HB TYR 28 3HB TYR 28 30.903 -2.749 -14.698 285 HD1 TYR 28 HD1 TYR 28 30.712 -1.889 -11.175 286 HD2 TYR 28 HD2 TYR 28 31.671 -5.016 -13.933 287 HE1 TYR 28 HE1 TYR 28 30.516 -3.606 -9.309 288 HE2 TYR 28 HE2 TYR 28 31.472 -6.721 -12.058 289 HH TYR 28 HH TYR 28 31.607 -6.823 -9.699 290 H CYS 29 HN CYS 29 31.998 -2.941 -16.299 291 HA CYS 29 HA CYS 29 34.060 -4.978 -16.212 292 1HB CYS 29 2HB CYS 29 32.812 -6.032 -18.047 293 2HB CYS 29 3HB CYS 29 31.787 -5.733 -16.657 294 H LYS 30 HN LYS 30 33.155 -1.935 -17.748 295 HA LYS 30 HA LYS 30 34.551 -0.584 -18.906 296 1HB LYS 30 2HB LYS 30 36.247 -2.921 -19.785 297 2HB LYS 30 3HB LYS 30 36.671 -1.222 -19.725 298 1HG LYS 30 2HG LYS 30 35.847 -1.987 -17.075 299 2HG LYS 30 3HG LYS 30 36.950 -3.221 -17.651 300 1HD LYS 30 2HD LYS 30 38.648 -1.819 -17.099 301 2HD LYS 30 3HD LYS 30 38.180 -0.836 -18.473 302 1HE LYS 30 2HE LYS 30 36.549 -0.411 -16.005 303 2HE LYS 30 3HE LYS 30 38.229 0.068 -15.872 304 1HZ LYS 30 1HZ LYS 30 37.283 1.912 -16.761 305 2HZ LYS 30 2HZ LYS 30 37.740 1.168 -18.141 306 3HZ LYS 30 3HZ LYS 30 36.183 1.101 -17.655 307 H GLU 31 HN GLU 31 32.125 -2.186 -19.633 308 HA GLU 31 HA GLU 31 32.567 -2.541 -22.471 309 1HB GLU 31 2HB GLU 31 30.310 -3.299 -20.584 310 2HB GLU 31 3HB GLU 31 30.105 -3.379 -22.323 311 1HG GLU 31 2HG GLU 31 31.116 -5.430 -20.795 312 2HG GLU 31 3HG GLU 31 31.403 -5.253 -22.515 313 H LYS 32 HN LYS 32 32.330 -0.751 -23.736 314 HA LYS 32 HA LYS 32 30.925 1.527 -22.803 315 1HB LYS 32 2HB LYS 32 31.537 2.503 -24.934 316 2HB LYS 32 3HB LYS 32 32.911 1.665 -24.241 317 1HG LYS 32 2HG LYS 32 31.961 -0.390 -25.685 318 2HG LYS 32 3HG LYS 32 31.216 0.893 -26.619 319 1HD LYS 32 2HD LYS 32 33.706 1.940 -26.453 320 2HD LYS 32 3HD LYS 32 34.136 0.253 -26.256 321 1HE LYS 32 2HE LYS 32 33.193 -0.354 -28.386 322 2HE LYS 32 3HE LYS 32 32.305 1.150 -28.516 323 1HZ LYS 32 1HZ LYS 32 35.161 0.697 -28.859 324 2HZ LYS 32 2HZ LYS 32 34.124 1.509 -29.824 325 3HZ LYS 32 3HZ LYS 32 34.634 2.181 -28.427 326 H GLY 33 HN GLY 33 28.789 1.976 -22.904 327 1HA GLY 33 1HA GLY 33 26.982 1.921 -24.741 328 2HA GLY 33 2HA GLY 33 27.115 0.187 -24.533 329 H HIS 34 HN HIS 34 27.310 -0.329 -21.894 330 HA HIS 34 HA HIS 34 24.879 0.906 -20.839 331 1HB HIS 34 2HB HIS 34 24.516 -1.102 -19.594 332 2HB HIS 34 3HB HIS 34 24.822 -1.536 -21.265 333 HD1 HIS 34 HD1 HIS 34 26.669 -3.201 -21.701 334 HD2 HIS 34 HD2 HIS 34 26.848 -1.566 -17.842 335 HE1 HIS 34 HE1 HIS 34 28.479 -4.501 -20.458 336 H TRP 35 HN TRP 35 24.802 1.356 -18.488 337 HA TRP 35 HA TRP 35 27.357 2.432 -17.636 338 1HB TRP 35 2HB TRP 35 24.511 2.951 -17.089 339 2HB TRP 35 3HB TRP 35 25.555 3.073 -15.686 340 HD1 TRP 35 HD1 TRP 35 25.864 4.402 -19.366 341 HE1 TRP 35 HE1 TRP 35 26.681 6.911 -19.366 342 HE3 TRP 35 HE3 TRP 35 26.198 4.841 -14.312 343 HZ2 TRP 35 HZ2 TRP 35 27.362 8.756 -17.298 344 HZ3 TRP 35 HZ3 TRP 35 26.947 7.030 -13.384 345 HH2 TRP 35 HH2 TRP 35 27.518 8.947 -14.788 346 H ALA 36 HN ALA 36 28.052 2.045 -15.319 347 HA ALA 36 HA ALA 36 28.272 -0.690 -14.823 348 1HB ALA 36 1HB ALA 36 29.930 0.925 -14.075 349 2HB ALA 36 2HB ALA 36 28.726 1.745 -13.053 350 3HB ALA 36 3HB ALA 36 29.255 0.093 -12.653 351 H LYS 37 HN LYS 37 25.924 1.783 -13.780 352 HA LYS 37 HA LYS 37 24.822 0.239 -11.684 353 1HB LYS 37 2HB LYS 37 24.141 2.750 -13.140 354 2HB LYS 37 3HB LYS 37 22.838 1.943 -12.292 355 1HG LYS 37 2HG LYS 37 23.593 2.906 -10.381 356 2HG LYS 37 3HG LYS 37 24.981 1.840 -10.467 357 1HD LYS 37 2HD LYS 37 26.053 3.913 -10.414 358 2HD LYS 37 3HD LYS 37 25.938 3.665 -12.145 359 1HE LYS 37 2HE LYS 37 25.123 5.869 -11.879 360 2HE LYS 37 3HE LYS 37 23.651 4.925 -11.986 361 1HZ LYS 37 1HZ LYS 37 23.480 4.948 -9.626 362 2HZ LYS 37 2HZ LYS 37 24.925 5.686 -9.451 363 3HZ LYS 37 3HZ LYS 37 23.676 6.488 -10.131 364 H ASP 38 HN ASP 38 24.891 -0.235 -15.036 365 HA ASP 38 HA ASP 38 22.500 -1.884 -14.805 366 1HB ASP 38 2HB ASP 38 22.636 0.332 -16.409 367 2HB ASP 38 3HB ASP 38 23.296 -0.862 -17.509 368 H CYS 39 HN CYS 39 25.582 -2.219 -14.536 369 HA CYS 39 HA CYS 39 26.558 -3.510 -16.797 370 1HB CYS 39 2HB CYS 39 27.944 -2.640 -14.911 371 2HB CYS 39 3HB CYS 39 27.373 -3.957 -13.907 372 HA PRO 40 HA PRO 40 24.199 -7.191 -16.393 373 1HB PRO 40 2HB PRO 40 25.173 -8.506 -18.581 374 2HB PRO 40 3HB PRO 40 23.874 -7.333 -18.667 375 1HG PRO 40 2HG PRO 40 26.702 -7.029 -19.472 376 2HG PRO 40 3HG PRO 40 25.319 -6.053 -19.929 377 1HD PRO 40 2HD PRO 40 27.342 -5.372 -18.013 378 2HD PRO 40 3HD PRO 40 25.899 -4.451 -18.385 379 H LYS 41 HN LYS 41 27.328 -6.743 -15.669 380 HA LYS 41 HA LYS 41 27.671 -9.593 -15.050 381 1HB LYS 41 2HB LYS 41 29.330 -8.465 -16.606 382 2HB LYS 41 3HB LYS 41 29.845 -7.495 -15.241 383 1HG LYS 41 2HG LYS 41 29.829 -10.105 -14.203 384 2HG LYS 41 3HG LYS 41 30.406 -10.331 -15.841 385 1HD LYS 41 2HD LYS 41 32.398 -9.279 -15.422 386 2HD LYS 41 3HD LYS 41 31.637 -7.994 -14.502 387 1HE LYS 41 2HE LYS 41 31.865 -10.787 -13.328 388 2HE LYS 41 3HE LYS 41 33.227 -9.688 -13.260 389 1HZ LYS 41 1HZ LYS 41 31.203 -9.741 -11.513 390 2HZ LYS 41 2HZ LYS 41 32.222 -8.480 -11.716 391 3HZ LYS 41 3HZ LYS 41 30.771 -8.486 -12.465 392 H LYS 42 HN LYS 42 26.196 -7.186 -13.660 393 HA LYS 42 HA LYS 42 27.668 -7.333 -11.129 394 1HB LYS 42 2HB LYS 42 26.576 -5.156 -12.522 395 2HB LYS 42 3HB LYS 42 25.468 -5.436 -11.195 396 1HG LYS 42 2HG LYS 42 27.919 -5.729 -9.930 397 2HG LYS 42 3HG LYS 42 28.295 -4.514 -11.134 398 1HD LYS 42 2HD LYS 42 25.924 -4.336 -9.217 399 2HD LYS 42 3HD LYS 42 27.472 -3.568 -8.931 400 1HE LYS 42 2HE LYS 42 27.098 -2.518 -11.341 401 2HE LYS 42 3HE LYS 42 25.418 -2.936 -11.069 402 1HZ LYS 42 1HZ LYS 42 26.753 -0.760 -10.089 403 2HZ LYS 42 2HZ LYS 42 25.234 -1.226 -9.716 404 3HZ LYS 42 3HZ LYS 42 26.487 -1.708 -8.787 405 HA PRO 43 HA PRO 43 24.402 -10.118 -10.149 406 1HB PRO 43 2HB PRO 43 25.654 -11.330 -8.044 407 2HB PRO 43 3HB PRO 43 25.827 -11.870 -9.701 408 1HG PRO 43 2HG PRO 43 27.752 -10.373 -8.030 409 2HG PRO 43 3HG PRO 43 28.048 -11.279 -9.501 410 1HD PRO 43 2HD PRO 43 27.884 -8.427 -9.245 411 2HD PRO 43 3HD PRO 43 28.064 -9.338 -10.731 412 H ARG 44 HN ARG 44 23.456 -10.851 -7.807 413 HA ARG 44 HA ARG 44 22.277 -10.163 -6.134 414 1HB ARG 44 2HB ARG 44 24.782 -9.241 -5.557 415 2HB ARG 44 3HB ARG 44 23.928 -7.712 -5.575 416 1HG ARG 44 2HG ARG 44 23.529 -8.264 -3.370 417 2HG ARG 44 3HG ARG 44 22.165 -9.108 -4.075 418 1HD ARG 44 2HD ARG 44 23.222 -11.231 -3.920 419 2HD ARG 44 3HD ARG 44 24.829 -10.537 -3.828 420 HE ARG 44 HE ARG 44 22.930 -10.863 -1.607 421 1HH1 ARG 44 2HH2 ARG 44 25.828 -9.218 -2.739 422 2HH1 ARG 44 1HH2 ARG 44 26.401 -8.859 -1.145 423 1HH2 ARG 44 2HH1 ARG 44 23.686 -10.388 0.497 424 2HH2 ARG 44 1HH1 ARG 44 25.175 -9.528 0.708 425 H GLY 45 HN GLY 45 20.635 -8.537 -5.444 426 1HA GLY 45 1HA GLY 45 20.304 -5.988 -6.325 427 2HA GLY 45 2HA GLY 45 19.726 -6.955 -7.668 428 HA PRO 46 HA PRO 46 18.400 -5.356 -7.727 429 1HB PRO 46 2HB PRO 46 16.584 -3.388 -7.184 430 2HB PRO 46 3HB PRO 46 16.234 -4.754 -8.225 431 1HG PRO 46 2HG PRO 46 15.335 -4.257 -5.453 432 2HG PRO 46 3HG PRO 46 14.676 -5.366 -6.638 433 1HD PRO 46 2HD PRO 46 16.337 -6.037 -4.398 434 2HD PRO 46 3HD PRO 46 15.774 -7.127 -5.647 435 H ARG 47 HN ARG 47 18.895 -2.868 -7.857 436 HA ARG 47 HA ARG 47 21.046 -2.500 -6.269 437 1HB ARG 47 2HB ARG 47 19.201 -0.512 -7.657 438 2HB ARG 47 3HB ARG 47 20.632 0.033 -6.804 439 1HG ARG 47 2HG ARG 47 21.826 -0.410 -8.680 440 2HG ARG 47 3HG ARG 47 21.564 -2.115 -8.372 441 1HD ARG 47 2HD ARG 47 20.445 -2.176 -10.355 442 2HD ARG 47 3HD ARG 47 19.145 -1.327 -9.543 443 HE ARG 47 HE ARG 47 21.293 0.417 -10.557 444 1HH1 ARG 47 2HH2 ARG 47 18.183 -1.087 -11.229 445 2HH1 ARG 47 1HH2 ARG 47 17.757 0.048 -12.466 446 1HH2 ARG 47 2HH1 ARG 47 20.731 1.915 -12.189 447 2HH2 ARG 47 1HH1 ARG 47 19.217 1.768 -13.015 448 H GLY 48 HN GLY 48 21.476 -1.198 -4.347 449 1HA GLY 48 1HA GLY 48 19.768 0.340 -2.900 450 2HA GLY 48 2HA GLY 48 19.339 -1.290 -2.419 451 HA PRO 49 HA PRO 49 23.777 -0.247 -1.019 452 1HB PRO 49 2HB PRO 49 24.274 2.393 -0.515 453 2HB PRO 49 3HB PRO 49 24.759 1.593 -1.996 454 1HG PRO 49 2HG PRO 49 22.533 3.487 -1.557 455 2HG PRO 49 3HG PRO 49 23.291 3.016 -3.064 456 1HD PRO 49 2HD PRO 49 20.757 2.120 -2.064 457 2HD PRO 49 3HD PRO 49 21.568 1.562 -3.513 458 H ARG 50 HN ARG 50 24.039 -0.985 0.986 459 HA ARG 50 HA ARG 50 22.033 -0.152 2.831 460 1HB ARG 50 2HB ARG 50 24.377 -2.103 3.051 461 2HB ARG 50 3HB ARG 50 23.254 -1.815 4.364 462 1HG ARG 50 2HG ARG 50 21.593 -3.052 3.387 463 2HG ARG 50 3HG ARG 50 21.889 -2.372 1.798 464 1HD ARG 50 2HD ARG 50 23.923 -4.299 2.939 465 2HD ARG 50 3HD ARG 50 22.419 -4.946 2.313 466 HE ARG 50 HE ARG 50 24.567 -3.675 0.752 467 1HH1 ARG 50 2HH2 ARG 50 21.203 -4.705 0.788 468 2HH1 ARG 50 1HH2 ARG 50 21.073 -4.774 -0.939 469 1HH2 ARG 50 2HH1 ARG 50 24.397 -3.767 -1.525 470 2HH2 ARG 50 1HH1 ARG 50 22.902 -4.237 -2.263 471 HA PRO 51 HA PRO 51 24.624 2.844 4.699 472 1HB PRO 51 2HB PRO 51 23.075 3.464 6.864 473 2HB PRO 51 3HB PRO 51 22.818 4.152 5.274 474 1HG PRO 51 2HG PRO 51 21.259 2.058 6.659 475 2HG PRO 51 3HG PRO 51 20.794 3.047 5.290 476 1HD PRO 51 2HD PRO 51 21.612 0.299 5.222 477 2HD PRO 51 3HD PRO 51 21.259 1.321 3.843 478 H GLN 52 HN GLN 52 26.167 0.973 4.950 479 HA GLN 52 HA GLN 52 26.521 0.706 7.822 480 1HB GLN 52 2HB GLN 52 25.500 -1.395 6.892 481 2HB GLN 52 3HB GLN 52 26.875 -1.568 5.820 482 1HG GLN 52 2HG GLN 52 27.880 -1.142 8.497 483 2HG GLN 52 3HG GLN 52 26.649 -2.386 8.574 484 1HE2 GLN 52 1HE2 GLN 52 27.181 -4.378 8.083 485 2HE2 GLN 52 2HE2 GLN 52 28.594 -4.901 7.226 486 H THR 53 HN THR 53 28.435 1.682 8.311 487 HA THR 53 HA THR 53 30.304 2.526 6.495 488 HB THR 53 HB THR 53 30.443 1.801 9.459 489 HG1 THR 53 HG1 THR 53 30.517 4.289 9.306 490 1HG2 THR 53 1HG2 THR 53 32.700 2.178 7.808 491 2HG2 THR 53 2HG2 THR 53 32.366 3.800 8.461 492 3HG2 THR 53 3HG2 THR 53 32.643 2.435 9.569 493 H SER 54 HN SER 54 31.808 1.631 5.230 494 HA SER 54 HA SER 54 32.145 -1.198 5.438 495 1HB SER 54 2HB SER 54 32.096 0.558 3.325 496 2HB SER 54 3HB SER 54 33.824 0.353 3.523 497 HG SER 54 HG SER 54 32.071 -1.336 2.347 498 H LEU 55 HN LEU 55 34.165 -2.293 5.838 499 HA LEU 55 HA LEU 55 35.784 -1.070 7.762 500 1HB LEU 55 2HB LEU 55 35.877 -3.612 6.183 501 2HB LEU 55 3HB LEU 55 37.269 -3.137 7.136 502 HG LEU 55 HG LEU 55 34.545 -3.229 8.409 503 1HD1 LEU 55 1HD1 LEU 55 34.355 -5.392 7.869 504 2HD1 LEU 55 2HD1 LEU 55 36.056 -5.517 7.357 505 3HD1 LEU 55 3HD1 LEU 55 35.633 -5.653 9.081 506 1HD2 LEU 55 1HD2 LEU 55 36.573 -4.190 10.111 507 2HD2 LEU 55 2HD2 LEU 55 37.252 -2.772 9.277 508 3HD2 LEU 55 3HD2 LEU 55 35.728 -2.624 10.185 509 H LEU 56 HN LEU 56 38.297 -1.010 7.500 510 HA LEU 56 HA LEU 56 38.836 0.946 5.550 511 1HB LEU 56 2HB LEU 56 40.909 1.127 6.535 512 2HB LEU 56 3HB LEU 56 39.873 0.610 7.851 513 HG LEU 56 HG LEU 56 40.759 -1.804 7.023 514 1HD1 LEU 56 1HD1 LEU 56 42.259 -0.235 5.400 515 2HD1 LEU 56 2HD1 LEU 56 43.343 -0.387 6.804 516 3HD1 LEU 56 3HD1 LEU 56 42.749 -1.846 5.975 517 1HD2 LEU 56 1HD2 LEU 56 41.706 -1.895 9.058 518 2HD2 LEU 56 2HD2 LEU 56 42.688 -0.436 8.789 519 3HD2 LEU 56 3HD2 LEU 56 40.979 -0.284 9.265 Start of MODEL 14 1 1H5* C 504 1H5* C 504 33.900 -8.462 -2.350 2 2H5* C 504 2H5* C 504 34.581 -7.184 -3.356 3 H4* C 504 H4* C 504 35.983 -9.254 -3.118 4 H3* C 504 H3* C 504 35.167 -8.465 -5.939 5 H2* C 504 H2* C 504 37.161 -9.683 -6.562 6 2HO* C 504 2HO* C 504 38.618 -9.578 -4.956 7 H1* C 504 H1* C 504 36.173 -11.748 -4.749 8 1H4 C 504 1H4 C 504 35.697 -14.358 -10.553 9 2H4 C 504 2H4 C 504 34.318 -13.337 -10.892 10 H5 C 504 H5 C 504 33.543 -11.648 -9.435 11 H6 C 504 H6 C 504 33.905 -10.511 -7.273 12 1H5* C 505 1H5* C 505 38.485 -7.685 -6.267 13 2H5* C 505 2H5* C 505 39.199 -6.186 -6.859 14 H4* C 505 H4* C 505 39.782 -7.643 -8.525 15 H3* C 505 H3* C 505 37.225 -6.292 -9.304 16 H2* C 505 H2* C 505 37.139 -7.528 -11.337 17 2HO* C 505 2HO* C 505 39.031 -8.532 -12.010 18 H1* C 505 H1* C 505 37.612 -9.977 -10.028 19 1H4 C 505 1H4 C 505 31.266 -9.586 -10.773 20 2H4 C 505 2H4 C 505 31.172 -8.764 -9.232 21 H5 C 505 H5 C 505 33.060 -8.090 -7.983 22 H6 C 505 H6 C 505 35.528 -8.039 -7.905 23 1H5* U 506 1H5* U 506 39.859 -1.430 -10.064 24 2H5* U 506 2H5* U 506 38.730 -2.192 -8.945 25 H4* U 506 H4* U 506 38.026 -1.048 -11.291 26 H3* U 506 H3* U 506 36.680 -3.282 -9.763 27 H2* U 506 H2* U 506 35.036 -3.369 -11.400 28 2HO* U 506 2HO* U 506 36.039 -0.754 -12.079 29 H1* U 506 H1* U 506 36.995 -2.397 -13.405 30 H3 U 506 H3 U 506 36.638 -5.949 -16.114 31 H5 U 506 H5 U 506 35.075 -7.391 -12.507 32 H6 U 506 H6 U 506 35.680 -5.240 -11.498 33 1H5* C 507 1H5* C 507 34.893 0.965 -10.719 34 2H5* C 507 2H5* C 507 34.524 1.322 -9.031 35 H4* C 507 H4* C 507 33.184 2.351 -11.138 36 H3* C 507 H3* C 507 32.375 1.912 -8.287 37 H2* C 507 H2* C 507 30.170 2.663 -8.751 38 2HO* C 507 2HO* C 507 29.822 3.646 -10.840 39 H1* C 507 H1* C 507 29.880 1.046 -11.008 40 1H4 C 507 1H4 C 507 27.460 -2.257 -6.071 41 2H4 C 507 2H4 C 507 29.004 -3.067 -5.928 42 H5 C 507 H5 C 507 30.921 -2.473 -7.175 43 H6 C 507 H6 C 507 31.837 -0.941 -8.881 44 1H5* C 508 1H5* C 508 33.987 6.080 -5.977 45 2H5* C 508 2H5* C 508 33.157 7.459 -6.700 46 H4* C 508 H4* C 508 35.666 7.658 -6.375 47 H3* C 508 H3* C 508 34.332 8.197 -9.028 48 H2* C 508 H2* C 508 36.395 8.942 -9.882 49 2HO* C 508 2HO* C 508 37.501 10.053 -8.384 50 H1* C 508 H1* C 508 37.814 6.860 -8.449 51 1H4 C 508 1H4 C 508 38.274 4.599 -14.367 52 2H4 C 508 2H4 C 508 36.609 5.018 -14.703 53 H5 C 508 H5 C 508 35.171 6.050 -13.140 54 H6 C 508 H6 C 508 34.973 6.942 -10.846 55 1H5* G 509 1H5* G 509 31.912 8.643 -9.418 56 2H5* G 509 2H5* G 509 33.141 8.522 -10.677 57 H4* G 509 H4* G 509 31.623 10.908 -11.117 58 H3* G 509 H3* G 509 29.958 8.553 -10.339 59 H2* G 509 H2* G 509 28.481 8.892 -12.167 60 2HO* G 509 2HO* G 509 30.129 11.218 -12.587 61 H1* G 509 H1* G 509 30.553 9.135 -14.036 62 H8 G 509 H8 G 509 29.968 6.717 -11.105 63 H1 G 509 H1 G 509 30.013 4.032 -16.993 64 1H2 G 509 1H2 G 509 30.388 5.482 -18.409 65 2H2 G 509 2H2 G 509 30.653 7.174 -18.054 66 1H5* U 510 1H5* U 510 29.028 9.543 -6.981 67 2H5* U 510 2H5* U 510 28.962 7.787 -7.129 68 H4* U 510 H4* U 510 27.336 8.631 -5.513 69 H3* U 510 H3* U 510 26.299 7.249 -7.977 70 H2* U 510 H2* U 510 24.093 7.386 -7.118 71 2HO* U 510 2HO* U 510 23.988 7.360 -4.944 72 H1* U 510 H1* U 510 24.453 10.101 -6.333 73 H3 U 510 H3 U 510 21.623 11.284 -9.568 74 H5 U 510 H5 U 510 24.209 8.679 -11.582 75 H6 U 510 H6 U 510 25.384 8.358 -9.454 76 1H ALA 1 HN ALA 1 12.083 27.355 -19.917 77 HA ALA 1 HA ALA 1 12.640 27.953 -22.121 78 1HB ALA 1 1HB ALA 1 12.422 25.653 -22.200 79 2HB ALA 1 2HB ALA 1 10.703 25.691 -21.740 80 3HB ALA 1 3HB ALA 1 11.190 26.116 -23.398 81 H THR 2 HN THR 2 11.376 30.201 -21.686 82 HA THR 2 HA THR 2 9.361 30.341 -23.827 83 HB THR 2 HB THR 2 8.259 32.116 -22.373 84 HG1 THR 2 HG1 THR 2 10.435 32.275 -21.166 85 1HG2 THR 2 1HG2 THR 2 6.995 30.268 -21.825 86 2HG2 THR 2 2HG2 THR 2 8.431 29.221 -21.707 87 3HG2 THR 2 3HG2 THR 2 7.963 30.248 -20.331 88 H VAL 3 HN VAL 3 11.512 30.665 -25.016 89 HA VAL 3 HA VAL 3 12.822 32.042 -26.141 90 HB VAL 3 HB VAL 3 10.889 34.107 -25.079 91 1HG1 VAL 3 1HG1 VAL 3 12.784 34.505 -27.405 92 2HG1 VAL 3 2HG1 VAL 3 11.779 35.714 -26.570 93 3HG1 VAL 3 3HG1 VAL 3 13.189 35.005 -25.745 94 1HG2 VAL 3 1HG2 VAL 3 10.096 34.011 -27.502 95 2HG2 VAL 3 2HG2 VAL 3 11.077 32.533 -27.659 96 3HG2 VAL 3 3HG2 VAL 3 9.736 32.592 -26.490 97 H VAL 4 HN VAL 4 14.757 33.286 -25.875 98 HA VAL 4 HA VAL 4 16.507 34.054 -24.768 99 HB VAL 4 HB VAL 4 14.371 34.956 -22.832 100 1HG1 VAL 4 1HG1 VAL 4 16.871 36.455 -22.743 101 2HG1 VAL 4 2HG1 VAL 4 15.904 35.766 -21.417 102 3HG1 VAL 4 3HG1 VAL 4 17.095 34.754 -22.269 103 1HG2 VAL 4 1HG2 VAL 4 13.966 36.525 -24.363 104 2HG2 VAL 4 2HG2 VAL 4 15.630 37.122 -24.153 105 3HG2 VAL 4 3HG2 VAL 4 15.273 35.903 -25.399 106 H SER 5 HN SER 5 17.795 32.346 -24.247 107 HA SER 5 HA SER 5 17.793 31.461 -21.596 108 1HB SER 5 2HB SER 5 16.305 29.827 -23.580 109 2HB SER 5 3HB SER 5 17.499 28.925 -22.668 110 HG SER 5 HG SER 5 15.047 29.886 -21.854 111 H GLY 6 HN GLY 6 20.005 32.115 -21.803 112 1HA GLY 6 1HA GLY 6 21.647 30.258 -23.412 113 2HA GLY 6 2HA GLY 6 21.929 31.987 -23.436 114 H GLN 7 HN GLN 7 22.024 29.030 -21.434 115 HA GLN 7 HA GLN 7 23.919 30.424 -19.731 116 1HB GLN 7 2HB GLN 7 21.438 28.930 -18.878 117 2HB GLN 7 3HB GLN 7 22.849 28.879 -17.840 118 1HG GLN 7 2HG GLN 7 22.421 30.970 -17.075 119 2HG GLN 7 3HG GLN 7 22.461 31.614 -18.704 120 1HE2 GLN 7 1HE2 GLN 7 20.815 33.028 -17.701 121 2HE2 GLN 7 2HE2 GLN 7 19.151 32.554 -17.769 122 H LYS 8 HN LYS 8 25.746 29.207 -19.209 123 HA LYS 8 HA LYS 8 25.647 26.343 -19.670 124 1HB LYS 8 2HB LYS 8 27.514 26.325 -21.197 125 2HB LYS 8 3HB LYS 8 26.227 27.306 -21.868 126 1HG LYS 8 2HG LYS 8 27.476 29.222 -21.790 127 2HG LYS 8 3HG LYS 8 28.090 28.873 -20.186 128 1HD LYS 8 2HD LYS 8 29.262 26.933 -21.938 129 2HD LYS 8 3HD LYS 8 29.389 28.478 -22.758 130 1HE LYS 8 2HE LYS 8 30.117 28.338 -19.825 131 2HE LYS 8 3HE LYS 8 31.249 27.697 -20.999 132 1HZ LYS 8 1HZ LYS 8 31.385 30.140 -20.386 133 2HZ LYS 8 2HZ LYS 8 31.492 29.753 -21.969 134 3HZ LYS 8 3HZ LYS 8 30.098 30.354 -21.368 135 H GLN 9 HN GLN 9 27.119 25.201 -18.383 136 HA GLN 9 HA GLN 9 28.994 26.809 -16.878 137 1HB GLN 9 2HB GLN 9 26.608 26.281 -15.710 138 2HB GLN 9 3HB GLN 9 27.429 24.787 -15.305 139 1HG GLN 9 2HG GLN 9 29.279 26.940 -14.817 140 2HG GLN 9 3HG GLN 9 27.747 27.396 -14.099 141 1HE2 GLN 9 1HE2 GLN 9 27.268 26.650 -12.175 142 2HE2 GLN 9 2HE2 GLN 9 28.004 25.310 -11.361 143 H ASP 10 HN ASP 10 30.844 25.844 -17.682 144 HA ASP 10 HA ASP 10 31.483 23.306 -16.759 145 1HB ASP 10 2HB ASP 10 31.595 22.023 -18.812 146 2HB ASP 10 3HB ASP 10 29.963 22.646 -18.666 147 H ARG 11 HN ARG 11 33.667 23.699 -16.368 148 HA ARG 11 HA ARG 11 35.141 24.994 -18.504 149 1HB ARG 11 2HB ARG 11 36.383 26.366 -16.838 150 2HB ARG 11 3HB ARG 11 34.669 26.727 -16.788 151 1HG ARG 11 2HG ARG 11 34.484 26.018 -14.633 152 2HG ARG 11 3HG ARG 11 35.309 24.512 -14.979 153 1HD ARG 11 2HD ARG 11 37.517 25.674 -14.821 154 2HD ARG 11 3HD ARG 11 36.703 27.193 -14.505 155 HE ARG 11 HE ARG 11 37.187 25.085 -12.588 156 1HH1 ARG 11 2HH2 ARG 11 34.835 27.553 -13.459 157 2HH1 ARG 11 1HH2 ARG 11 34.207 27.702 -11.851 158 1HH2 ARG 11 2HH1 ARG 11 36.359 25.282 -10.468 159 2HH2 ARG 11 1HH1 ARG 11 35.079 26.402 -10.139 160 H GLN 12 HN GLN 12 37.584 24.622 -18.256 161 HA GLN 12 HA GLN 12 38.244 22.440 -16.499 162 1HB GLN 12 2HB GLN 12 39.152 21.027 -18.297 163 2HB GLN 12 3HB GLN 12 37.440 21.302 -18.548 164 1HG GLN 12 2HG GLN 12 38.057 21.904 -20.666 165 2HG GLN 12 3HG GLN 12 38.492 23.436 -19.935 166 1HE2 GLN 12 1HE2 GLN 12 39.532 21.243 -22.015 167 2HE2 GLN 12 2HE2 GLN 12 41.251 21.319 -21.821 168 H GLY 13 HN GLY 13 40.485 22.371 -15.977 169 1HA GLY 13 1HA GLY 13 42.551 23.555 -17.378 170 2HA GLY 13 2HA GLY 13 41.891 24.814 -16.354 171 H GLY 14 HN GLY 14 43.107 21.405 -16.292 172 1HA GLY 14 1HA GLY 14 44.876 21.789 -14.189 173 2HA GLY 14 2HA GLY 14 43.366 21.264 -13.472 174 H GLU 15 HN GLU 15 43.766 19.140 -12.904 175 HA GLU 15 HA GLU 15 44.273 17.369 -15.134 176 1HB GLU 15 2HB GLU 15 45.943 16.074 -13.819 177 2HB GLU 15 3HB GLU 15 46.491 17.705 -14.153 178 1HG GLU 15 2HG GLU 15 46.779 18.036 -11.931 179 2HG GLU 15 3HG GLU 15 45.048 17.880 -11.705 180 H ARG 16 HN ARG 16 42.587 15.952 -15.158 181 HA ARG 16 HA ARG 16 41.961 14.478 -12.871 182 1HB ARG 16 2HB ARG 16 40.613 16.964 -13.010 183 2HB ARG 16 3HB ARG 16 39.435 15.809 -13.603 184 1HG ARG 16 2HG ARG 16 41.002 15.220 -11.071 185 2HG ARG 16 3HG ARG 16 39.599 16.268 -11.011 186 1HD ARG 16 2HD ARG 16 38.470 14.284 -10.699 187 2HD ARG 16 3HD ARG 16 38.530 14.212 -12.448 188 HE ARG 16 HE ARG 16 40.910 13.036 -11.777 189 1HH1 ARG 16 2HH2 ARG 16 37.628 12.515 -10.621 190 2HH1 ARG 16 1HH2 ARG 16 37.886 10.841 -10.254 191 1HH2 ARG 16 2HH1 ARG 16 41.251 10.829 -11.293 192 2HH2 ARG 16 1HH1 ARG 16 39.962 9.876 -10.639 193 H ARG 17 HN ARG 17 42.169 12.668 -14.256 194 HA ARG 17 HA ARG 17 40.189 12.585 -16.392 195 1HB ARG 17 2HB ARG 17 43.078 11.854 -16.326 196 2HB ARG 17 3HB ARG 17 42.059 10.639 -17.072 197 1HG ARG 17 2HG ARG 17 41.451 13.433 -17.912 198 2HG ARG 17 3HG ARG 17 43.048 12.875 -18.366 199 1HD ARG 17 2HD ARG 17 41.574 10.671 -19.068 200 2HD ARG 17 3HD ARG 17 40.367 11.919 -19.300 201 HE ARG 17 HE ARG 17 42.829 11.550 -20.863 202 1HH1 ARG 17 2HH2 ARG 17 40.256 13.781 -19.979 203 2HH1 ARG 17 1HH2 ARG 17 40.467 14.779 -21.378 204 1HH2 ARG 17 2HH1 ARG 17 43.108 12.866 -22.709 205 2HH2 ARG 17 1HH1 ARG 17 42.101 14.256 -22.942 206 H ARG 18 HN ARG 18 38.587 11.085 -16.014 207 HA ARG 18 HA ARG 18 38.931 9.268 -13.866 208 1HB ARG 18 2HB ARG 18 36.706 10.135 -15.681 209 2HB ARG 18 3HB ARG 18 36.552 8.518 -15.023 210 1HG ARG 18 2HG ARG 18 37.128 9.648 -12.713 211 2HG ARG 18 3HG ARG 18 36.726 11.151 -13.520 212 1HD ARG 18 2HD ARG 18 34.827 8.770 -13.585 213 2HD ARG 18 3HD ARG 18 34.815 9.906 -12.251 214 HE ARG 18 HE ARG 18 33.798 10.382 -14.934 215 1HH1 ARG 18 2HH2 ARG 18 35.207 11.966 -12.125 216 2HH1 ARG 18 1HH2 ARG 18 34.510 13.509 -12.485 217 1HH2 ARG 18 2HH1 ARG 18 32.876 12.418 -15.410 218 2HH2 ARG 18 1HH1 ARG 18 33.174 13.768 -14.365 219 H SER 19 HN SER 19 40.921 8.471 -15.444 220 HA SER 19 HA SER 19 41.754 6.967 -16.797 221 1HB SER 19 2HB SER 19 39.847 5.563 -14.999 222 2HB SER 19 3HB SER 19 40.343 4.626 -16.394 223 HG SER 19 HG SER 19 42.454 4.637 -15.729 224 H GLN 20 HN GLN 20 40.373 8.507 -18.448 225 HA GLN 20 HA GLN 20 38.995 8.689 -20.158 226 1HB GLN 20 2HB GLN 20 40.602 6.180 -20.660 227 2HB GLN 20 3HB GLN 20 39.417 6.682 -21.850 228 1HG GLN 20 2HG GLN 20 41.141 7.956 -22.667 229 2HG GLN 20 3HG GLN 20 40.657 9.080 -21.414 230 1HE2 GLN 20 1HE2 GLN 20 42.695 6.231 -21.993 231 2HE2 GLN 20 2HE2 GLN 20 44.001 6.671 -20.943 232 H LEU 21 HN LEU 21 37.445 7.856 -18.030 233 HA LEU 21 HA LEU 21 35.946 5.528 -18.852 234 1HB LEU 21 2HB LEU 21 36.479 5.872 -16.508 235 2HB LEU 21 3HB LEU 21 35.662 7.422 -16.517 236 HG LEU 21 HG LEU 21 34.557 5.082 -15.683 237 1HD1 LEU 21 1HD1 LEU 21 32.574 6.271 -15.422 238 2HD1 LEU 21 2HD1 LEU 21 33.812 7.548 -15.493 239 3HD1 LEU 21 3HD1 LEU 21 32.811 7.198 -16.923 240 1HD2 LEU 21 1HD2 LEU 21 33.371 5.482 -18.434 241 2HD2 LEU 21 2HD2 LEU 21 34.614 4.261 -18.075 242 3HD2 LEU 21 3HD2 LEU 21 33.033 4.189 -17.259 243 H ASP 22 HN ASP 22 35.104 6.177 -20.897 244 HA ASP 22 HA ASP 22 34.005 8.464 -21.615 245 1HB ASP 22 2HB ASP 22 33.891 5.799 -22.498 246 2HB ASP 22 3HB ASP 22 32.202 6.220 -22.289 247 H ARG 23 HN ARG 23 31.891 9.502 -21.433 248 HA ARG 23 HA ARG 23 30.676 9.143 -18.959 249 1HB ARG 23 2HB ARG 23 30.270 10.848 -21.379 250 2HB ARG 23 3HB ARG 23 28.828 10.604 -20.414 251 1HG ARG 23 2HG ARG 23 31.507 11.599 -19.330 252 2HG ARG 23 3HG ARG 23 30.133 12.624 -19.699 253 1HD ARG 23 2HD ARG 23 29.021 10.641 -18.047 254 2HD ARG 23 3HD ARG 23 30.604 10.902 -17.343 255 HE ARG 23 HE ARG 23 29.174 13.385 -17.985 256 1HH1 ARG 23 2HH2 ARG 23 29.747 10.914 -15.547 257 2HH1 ARG 23 1HH2 ARG 23 29.280 11.930 -14.224 258 1HH2 ARG 23 2HH1 ARG 23 28.558 14.726 -16.240 259 2HH2 ARG 23 1HH1 ARG 23 28.600 14.113 -14.622 260 H ASP 24 HN ASP 24 30.481 7.277 -21.766 261 HA ASP 24 HA ASP 24 27.852 6.322 -20.958 262 1HB ASP 24 2HB ASP 24 28.596 7.459 -23.480 263 2HB ASP 24 3HB ASP 24 28.416 5.738 -23.754 264 H GLN 25 HN GLN 25 30.692 5.527 -20.276 265 HA GLN 25 HA GLN 25 30.669 2.886 -21.518 266 1HB GLN 25 2HB GLN 25 32.644 4.265 -22.168 267 2HB GLN 25 3HB GLN 25 33.070 4.458 -20.479 268 1HG GLN 25 2HG GLN 25 33.175 1.898 -20.318 269 2HG GLN 25 3HG GLN 25 32.993 1.849 -22.059 270 1HE2 GLN 25 1HE2 GLN 25 35.146 1.863 -19.574 271 2HE2 GLN 25 2HE2 GLN 25 36.585 2.398 -20.377 272 H CYS 26 HN CYS 26 30.536 1.122 -20.153 273 HA CYS 26 HA CYS 26 29.759 1.483 -17.535 274 1HB CYS 26 2HB CYS 26 29.245 -0.530 -18.842 275 2HB CYS 26 3HB CYS 26 30.936 -0.993 -18.841 276 H ALA 27 HN ALA 27 30.895 1.709 -15.605 277 HA ALA 27 HA ALA 27 33.812 1.748 -15.855 278 1HB ALA 27 1HB ALA 27 32.654 3.817 -15.107 279 2HB ALA 27 2HB ALA 27 31.970 2.920 -13.729 280 3HB ALA 27 3HB ALA 27 33.730 3.159 -13.849 281 H TYR 28 HN TYR 28 32.238 -0.758 -15.715 282 HA TYR 28 HA TYR 28 33.278 -1.719 -13.137 283 1HB TYR 28 2HB TYR 28 30.674 -1.469 -13.567 284 2HB TYR 28 3HB TYR 28 30.867 -2.767 -14.730 285 HD1 TYR 28 HD1 TYR 28 30.762 -1.893 -11.177 286 HD2 TYR 28 HD2 TYR 28 31.429 -5.055 -13.980 287 HE1 TYR 28 HE1 TYR 28 30.496 -3.608 -9.318 288 HE2 TYR 28 HE2 TYR 28 31.161 -6.759 -12.113 289 HH TYR 28 HH TYR 28 30.298 -5.719 -8.836 290 H CYS 29 HN CYS 29 31.987 -2.941 -16.316 291 HA CYS 29 HA CYS 29 34.023 -5.006 -16.218 292 1HB CYS 29 2HB CYS 29 32.785 -6.034 -18.075 293 2HB CYS 29 3HB CYS 29 31.748 -5.737 -16.693 294 H LYS 30 HN LYS 30 33.198 -1.924 -17.697 295 HA LYS 30 HA LYS 30 34.619 -0.585 -18.832 296 1HB LYS 30 2HB LYS 30 36.404 -2.518 -18.222 297 2HB LYS 30 3HB LYS 30 36.321 -2.749 -19.956 298 1HG LYS 30 2HG LYS 30 37.641 -0.936 -20.264 299 2HG LYS 30 3HG LYS 30 36.423 0.082 -19.523 300 1HD LYS 30 2HD LYS 30 37.711 -1.304 -17.378 301 2HD LYS 30 3HD LYS 30 38.991 -0.766 -18.447 302 1HE LYS 30 2HE LYS 30 38.650 1.064 -16.952 303 2HE LYS 30 3HE LYS 30 37.855 1.554 -18.435 304 1HZ LYS 30 1HZ LYS 30 36.458 0.261 -16.197 305 2HZ LYS 30 2HZ LYS 30 36.517 1.877 -16.425 306 3HZ LYS 30 3HZ LYS 30 35.774 0.924 -17.524 307 H GLU 31 HN GLU 31 32.173 -2.163 -19.600 308 HA GLU 31 HA GLU 31 32.623 -2.454 -22.442 309 1HB GLU 31 2HB GLU 31 30.354 -3.237 -20.582 310 2HB GLU 31 3HB GLU 31 30.153 -3.274 -22.322 311 1HG GLU 31 2HG GLU 31 31.137 -5.371 -20.846 312 2HG GLU 31 3HG GLU 31 31.444 -5.149 -22.557 313 H LYS 32 HN LYS 32 32.034 -0.896 -23.901 314 HA LYS 32 HA LYS 32 30.775 1.480 -22.858 315 1HB LYS 32 2HB LYS 32 31.322 2.437 -25.040 316 2HB LYS 32 3HB LYS 32 32.723 1.684 -24.305 317 1HG LYS 32 2HG LYS 32 31.341 -0.325 -25.861 318 2HG LYS 32 3HG LYS 32 31.527 1.103 -26.859 319 1HD LYS 32 2HD LYS 32 33.940 0.337 -25.267 320 2HD LYS 32 3HD LYS 32 33.481 -0.798 -26.521 321 1HE LYS 32 2HE LYS 32 33.480 1.052 -28.205 322 2HE LYS 32 3HE LYS 32 33.925 2.196 -26.953 323 1HZ LYS 32 1HZ LYS 32 35.767 1.218 -28.318 324 2HZ LYS 32 2HZ LYS 32 35.983 1.178 -26.700 325 3HZ LYS 32 3HZ LYS 32 35.550 -0.178 -27.500 326 H GLY 33 HN GLY 33 28.652 2.002 -23.024 327 1HA GLY 33 1HA GLY 33 26.818 1.911 -24.799 328 2HA GLY 33 2HA GLY 33 26.964 0.175 -24.609 329 H HIS 34 HN HIS 34 27.270 -0.270 -21.918 330 HA HIS 34 HA HIS 34 24.806 0.898 -20.851 331 1HB HIS 34 2HB HIS 34 24.485 -1.111 -19.605 332 2HB HIS 34 3HB HIS 34 24.789 -1.548 -21.274 333 HD1 HIS 34 HD1 HIS 34 26.674 -3.174 -21.717 334 HD2 HIS 34 HD2 HIS 34 26.821 -1.539 -17.857 335 HE1 HIS 34 HE1 HIS 34 28.509 -4.438 -20.475 336 H TRP 35 HN TRP 35 24.757 1.340 -18.495 337 HA TRP 35 HA TRP 35 27.314 2.447 -17.680 338 1HB TRP 35 2HB TRP 35 24.469 2.957 -17.105 339 2HB TRP 35 3HB TRP 35 25.535 3.106 -15.722 340 HD1 TRP 35 HD1 TRP 35 26.000 4.314 -19.424 341 HE1 TRP 35 HE1 TRP 35 26.715 6.853 -19.475 342 HE3 TRP 35 HE3 TRP 35 25.875 4.994 -14.387 343 HZ2 TRP 35 HZ2 TRP 35 27.140 8.817 -17.449 344 HZ3 TRP 35 HZ3 TRP 35 26.455 7.252 -13.505 345 HH2 TRP 35 HH2 TRP 35 27.071 9.127 -14.947 346 H ALA 36 HN ALA 36 28.008 2.091 -15.349 347 HA ALA 36 HA ALA 36 28.264 -0.636 -14.837 348 1HB ALA 36 1HB ALA 36 29.895 1.002 -14.085 349 2HB ALA 36 2HB ALA 36 28.672 1.817 -13.080 350 3HB ALA 36 3HB ALA 36 29.217 0.175 -12.661 351 H LYS 37 HN LYS 37 25.876 1.806 -13.811 352 HA LYS 37 HA LYS 37 24.786 0.270 -11.710 353 1HB LYS 37 2HB LYS 37 23.901 2.672 -13.292 354 2HB LYS 37 3HB LYS 37 22.789 1.887 -12.188 355 1HG LYS 37 2HG LYS 37 25.075 2.046 -10.629 356 2HG LYS 37 3HG LYS 37 25.221 3.500 -11.599 357 1HD LYS 37 2HD LYS 37 22.593 3.712 -10.945 358 2HD LYS 37 3HD LYS 37 23.128 2.767 -9.570 359 1HE LYS 37 2HE LYS 37 24.774 4.444 -8.942 360 2HE LYS 37 3HE LYS 37 24.566 5.308 -10.452 361 1HZ LYS 37 1HZ LYS 37 22.668 6.232 -9.735 362 2HZ LYS 37 2HZ LYS 37 22.186 4.933 -8.870 363 3HZ LYS 37 3HZ LYS 37 23.300 5.955 -8.255 364 H ASP 38 HN ASP 38 24.867 -0.228 -15.070 365 HA ASP 38 HA ASP 38 22.544 -1.966 -14.811 366 1HB ASP 38 2HB ASP 38 22.575 0.245 -16.423 367 2HB ASP 38 3HB ASP 38 23.274 -0.921 -17.526 368 H CYS 39 HN CYS 39 25.555 -2.312 -14.468 369 HA CYS 39 HA CYS 39 26.580 -3.546 -16.775 370 1HB CYS 39 2HB CYS 39 27.966 -2.589 -14.932 371 2HB CYS 39 3HB CYS 39 27.461 -3.906 -13.892 372 HA PRO 40 HA PRO 40 24.382 -7.309 -16.265 373 1HB PRO 40 2HB PRO 40 25.415 -8.651 -18.409 374 2HB PRO 40 3HB PRO 40 24.074 -7.532 -18.536 375 1HG PRO 40 2HG PRO 40 26.892 -7.145 -19.338 376 2HG PRO 40 3HG PRO 40 25.477 -6.236 -19.830 377 1HD PRO 40 2HD PRO 40 27.463 -5.422 -17.927 378 2HD PRO 40 3HD PRO 40 25.987 -4.568 -18.333 379 H LYS 41 HN LYS 41 27.489 -6.723 -15.545 380 HA LYS 41 HA LYS 41 28.058 -9.536 -14.996 381 1HB LYS 41 2HB LYS 41 29.629 -7.521 -16.050 382 2HB LYS 41 3HB LYS 41 30.134 -7.551 -14.373 383 1HG LYS 41 2HG LYS 41 29.988 -10.262 -14.955 384 2HG LYS 41 3HG LYS 41 30.503 -9.601 -16.495 385 1HD LYS 41 2HD LYS 41 32.610 -9.343 -15.706 386 2HD LYS 41 3HD LYS 41 32.026 -8.268 -14.451 387 1HE LYS 41 2HE LYS 41 32.925 -9.946 -13.115 388 2HE LYS 41 3HE LYS 41 31.291 -10.557 -13.271 389 1HZ LYS 41 1HZ LYS 41 33.623 -11.765 -14.103 390 2HZ LYS 41 2HZ LYS 41 32.097 -12.317 -14.283 391 3HZ LYS 41 3HZ LYS 41 32.783 -11.415 -15.459 392 H LYS 42 HN LYS 42 26.902 -6.599 -13.554 393 HA LYS 42 HA LYS 42 27.849 -6.604 -11.033 394 1HB LYS 42 2HB LYS 42 25.116 -6.034 -12.162 395 2HB LYS 42 3HB LYS 42 25.402 -5.911 -10.438 396 1HG LYS 42 2HG LYS 42 27.583 -4.610 -11.851 397 2HG LYS 42 3HG LYS 42 26.061 -3.998 -12.467 398 1HD LYS 42 2HD LYS 42 25.332 -3.300 -10.273 399 2HD LYS 42 3HD LYS 42 26.595 -4.219 -9.477 400 1HE LYS 42 2HE LYS 42 28.193 -2.601 -9.842 401 2HE LYS 42 3HE LYS 42 27.604 -2.231 -11.450 402 1HZ LYS 42 1HZ LYS 42 27.060 -0.388 -10.226 403 2HZ LYS 42 2HZ LYS 42 25.650 -1.210 -10.203 404 3HZ LYS 42 3HZ LYS 42 26.625 -1.225 -8.894 405 HA PRO 43 HA PRO 43 26.672 -10.306 -9.154 406 1HB PRO 43 2HB PRO 43 26.569 -9.595 -6.517 407 2HB PRO 43 3HB PRO 43 28.067 -9.932 -7.362 408 1HG PRO 43 2HG PRO 43 26.944 -7.321 -6.548 409 2HG PRO 43 3HG PRO 43 28.592 -7.716 -6.995 410 1HD PRO 43 2HD PRO 43 26.651 -6.365 -8.617 411 2HD PRO 43 3HD PRO 43 28.259 -6.864 -9.104 412 H ARG 44 HN ARG 44 24.779 -11.184 -9.733 413 HA ARG 44 HA ARG 44 22.522 -9.993 -8.330 414 1HB ARG 44 2HB ARG 44 22.857 -10.905 -11.180 415 2HB ARG 44 3HB ARG 44 21.300 -11.215 -10.438 416 1HG ARG 44 2HG ARG 44 20.745 -9.071 -10.939 417 2HG ARG 44 3HG ARG 44 21.850 -8.571 -9.675 418 1HD ARG 44 2HD ARG 44 23.731 -8.673 -11.437 419 2HD ARG 44 3HD ARG 44 22.479 -8.883 -12.645 420 HE ARG 44 HE ARG 44 23.056 -6.425 -11.124 421 1HH1 ARG 44 2HH2 ARG 44 20.765 -8.125 -13.183 422 2HH1 ARG 44 1HH2 ARG 44 19.946 -6.683 -13.681 423 1HH2 ARG 44 2HH1 ARG 44 21.977 -4.521 -11.781 424 2HH2 ARG 44 1HH1 ARG 44 20.641 -4.618 -12.879 425 H GLY 45 HN GLY 45 22.724 -11.505 -6.551 426 1HA GLY 45 1HA GLY 45 22.189 -13.396 -5.457 427 2HA GLY 45 2HA GLY 45 21.350 -13.949 -6.893 428 HA PRO 46 HA PRO 46 21.324 -15.666 -5.713 429 1HB PRO 46 2HB PRO 46 21.918 -17.805 -4.118 430 2HB PRO 46 3HB PRO 46 21.378 -17.966 -5.778 431 1HG PRO 46 2HG PRO 46 24.097 -18.311 -4.671 432 2HG PRO 46 3HG PRO 46 23.457 -18.869 -6.204 433 1HD PRO 46 2HD PRO 46 25.184 -16.618 -5.783 434 2HD PRO 46 3HD PRO 46 24.451 -17.107 -7.297 435 H ARG 47 HN ARG 47 20.274 -15.010 -3.841 436 HA ARG 47 HA ARG 47 21.855 -13.325 -2.297 437 1HB ARG 47 2HB ARG 47 19.075 -13.877 -2.655 438 2HB ARG 47 3HB ARG 47 19.378 -14.091 -0.943 439 1HG ARG 47 2HG ARG 47 19.652 -11.855 -0.606 440 2HG ARG 47 3HG ARG 47 20.753 -11.705 -1.961 441 1HD ARG 47 2HD ARG 47 17.782 -12.046 -2.476 442 2HD ARG 47 3HD ARG 47 18.410 -10.471 -2.035 443 HE ARG 47 HE ARG 47 20.125 -11.186 -4.041 444 1HH1 ARG 47 2HH2 ARG 47 16.613 -11.252 -3.831 445 2HH1 ARG 47 1HH2 ARG 47 16.379 -11.007 -5.530 446 1HH2 ARG 47 2HH1 ARG 47 19.817 -10.864 -6.283 447 2HH2 ARG 47 1HH1 ARG 47 18.214 -10.785 -6.933 448 H GLY 48 HN GLY 48 23.407 -14.084 -0.879 449 1HA GLY 48 1HA GLY 48 22.582 -16.184 1.018 450 2HA GLY 48 2HA GLY 48 24.084 -16.337 0.128 451 HA PRO 49 HA PRO 49 24.565 -13.595 3.876 452 1HB PRO 49 2HB PRO 49 25.272 -15.354 5.845 453 2HB PRO 49 3HB PRO 49 23.647 -14.723 5.662 454 1HG PRO 49 2HG PRO 49 24.680 -17.408 4.982 455 2HG PRO 49 3HG PRO 49 23.020 -16.896 5.209 456 1HD PRO 49 2HD PRO 49 24.337 -17.389 2.709 457 2HD PRO 49 3HD PRO 49 22.714 -16.766 2.934 458 H ARG 50 HN ARG 50 26.476 -12.597 4.417 459 HA ARG 50 HA ARG 50 28.579 -13.140 2.844 460 1HB ARG 50 2HB ARG 50 29.957 -11.886 4.602 461 2HB ARG 50 3HB ARG 50 28.496 -11.067 4.086 462 1HG ARG 50 2HG ARG 50 27.395 -11.434 6.114 463 2HG ARG 50 3HG ARG 50 28.263 -12.920 6.446 464 1HD ARG 50 2HD ARG 50 30.363 -11.532 6.837 465 2HD ARG 50 3HD ARG 50 29.388 -10.087 6.662 466 HE ARG 50 HE ARG 50 29.353 -11.965 8.933 467 1HH1 ARG 50 2HH2 ARG 50 27.712 -9.318 7.296 468 2HH1 ARG 50 1HH2 ARG 50 26.813 -8.840 8.697 469 1HH2 ARG 50 2HH1 ARG 50 28.167 -11.335 10.782 470 2HH2 ARG 50 1HH1 ARG 50 27.073 -9.995 10.693 471 HA PRO 51 HA PRO 51 30.538 -16.630 4.583 472 1HB PRO 51 2HB PRO 51 33.081 -16.360 3.617 473 2HB PRO 51 3HB PRO 51 31.756 -17.002 2.665 474 1HG PRO 51 2HG PRO 51 33.032 -14.340 2.505 475 2HG PRO 51 3HG PRO 51 32.026 -15.149 1.320 476 1HD PRO 51 2HD PRO 51 31.240 -13.019 3.073 477 2HD PRO 51 3HD PRO 51 30.206 -13.904 1.970 478 H GLN 52 HN GLN 52 30.113 -15.839 6.767 479 HA GLN 52 HA GLN 52 32.687 -15.513 8.021 480 1HB GLN 52 2HB GLN 52 31.830 -13.187 7.609 481 2HB GLN 52 3HB GLN 52 30.394 -13.566 8.539 482 1HG GLN 52 2HG GLN 52 31.478 -13.171 10.493 483 2HG GLN 52 3HG GLN 52 32.739 -14.317 10.082 484 1HE2 GLN 52 1HE2 GLN 52 34.375 -13.565 8.481 485 2HE2 GLN 52 2HE2 GLN 52 34.954 -11.938 8.599 486 H THR 53 HN THR 53 32.252 -17.714 8.720 487 HA THR 53 HA THR 53 30.170 -17.837 10.802 488 HB THR 53 HB THR 53 29.859 -20.196 10.139 489 HG1 THR 53 HG1 THR 53 31.816 -19.499 8.072 490 1HG2 THR 53 1HG2 THR 53 28.544 -18.671 8.721 491 2HG2 THR 53 2HG2 THR 53 29.975 -18.314 7.724 492 3HG2 THR 53 3HG2 THR 53 29.246 -19.937 7.685 493 H SER 54 HN SER 54 30.690 -19.787 12.360 494 HA SER 54 HA SER 54 31.952 -20.505 13.971 495 1HB SER 54 2HB SER 54 33.204 -21.814 12.434 496 2HB SER 54 3HB SER 54 33.998 -20.415 11.739 497 HG SER 54 HG SER 54 34.643 -21.893 14.049 498 H LEU 55 HN LEU 55 32.027 -19.014 15.630 499 HA LEU 55 HA LEU 55 33.914 -16.789 15.305 500 1HB LEU 55 2HB LEU 55 31.304 -17.049 16.772 501 2HB LEU 55 3HB LEU 55 32.473 -15.819 17.211 502 HG LEU 55 HG LEU 55 32.323 -15.386 14.534 503 1HD1 LEU 55 1HD1 LEU 55 30.022 -17.020 15.188 504 2HD1 LEU 55 2HD1 LEU 55 29.528 -15.418 14.590 505 3HD1 LEU 55 3HD1 LEU 55 30.602 -16.443 13.608 506 1HD2 LEU 55 1HD2 LEU 55 31.861 -13.383 15.359 507 2HD2 LEU 55 2HD2 LEU 55 30.193 -13.900 15.708 508 3HD2 LEU 55 3HD2 LEU 55 31.468 -14.114 16.933 509 H LEU 56 HN LEU 56 32.422 -18.803 17.944 510 HA LEU 56 HA LEU 56 33.279 -19.558 19.840 511 1HB LEU 56 2HB LEU 56 35.582 -20.093 17.967 512 2HB LEU 56 3HB LEU 56 35.525 -20.690 19.613 513 HG LEU 56 HG LEU 56 33.119 -21.573 18.685 514 1HD1 LEU 56 1HD1 LEU 56 34.971 -21.988 16.338 515 2HD1 LEU 56 2HD1 LEU 56 33.232 -22.351 16.469 516 3HD1 LEU 56 3HD1 LEU 56 33.786 -20.660 16.400 517 1HD2 LEU 56 1HD2 LEU 56 35.832 -22.779 18.955 518 2HD2 LEU 56 2HD2 LEU 56 34.316 -23.148 19.813 519 3HD2 LEU 56 3HD2 LEU 56 34.566 -23.740 18.153 Start of MODEL 15 1 1H5* C 504 1H5* C 504 38.379 -14.095 -5.738 2 2H5* C 504 2H5* C 504 37.721 -12.476 -5.969 3 H4* C 504 H4* C 504 39.481 -13.562 -7.638 4 H3* C 504 H3* C 504 37.165 -11.939 -8.751 5 H2* C 504 H2* C 504 38.772 -11.431 -10.414 6 2HO* C 504 2HO* C 504 41.030 -11.837 -9.825 7 H1* C 504 H1* C 504 39.824 -13.954 -10.596 8 1H4 C 504 1H4 C 504 34.864 -14.176 -14.605 9 2H4 C 504 2H4 C 504 33.795 -14.496 -13.257 10 H5 C 504 H5 C 504 34.487 -14.494 -11.000 11 H6 C 504 H6 C 504 36.395 -14.182 -9.463 12 1H5* C 505 1H5* C 505 39.999 -9.711 -8.756 13 2H5* C 505 2H5* C 505 40.089 -8.029 -8.233 14 H4* C 505 H4* C 505 40.715 -7.745 -10.388 15 H3* C 505 H3* C 505 37.726 -7.558 -10.375 16 H2* C 505 H2* C 505 37.678 -7.309 -12.736 17 2HO* C 505 2HO* C 505 39.639 -6.018 -12.632 18 H1* C 505 H1* C 505 39.345 -9.486 -13.213 19 1H4 C 505 1H4 C 505 33.613 -12.236 -13.421 20 2H4 C 505 2H4 C 505 33.364 -11.910 -11.721 21 H5 C 505 H5 C 505 34.895 -10.721 -10.371 22 H6 C 505 H6 C 505 37.062 -9.540 -10.321 23 1H5* U 506 1H5* U 506 40.092 -3.458 -10.597 24 2H5* U 506 2H5* U 506 39.521 -2.158 -9.552 25 H4* U 506 H4* U 506 38.126 -1.773 -11.275 26 H3* U 506 H3* U 506 36.719 -3.999 -9.794 27 H2* U 506 H2* U 506 35.051 -3.989 -11.399 28 2HO* U 506 2HO* U 506 35.875 -1.491 -12.445 29 H1* U 506 H1* U 506 36.993 -2.920 -13.387 30 H3 U 506 H3 U 506 36.403 -6.196 -16.383 31 H5 U 506 H5 U 506 34.895 -7.898 -12.866 32 H6 U 506 H6 U 506 35.612 -5.867 -11.693 33 1H5* C 507 1H5* C 507 35.031 0.146 -10.620 34 2H5* C 507 2H5* C 507 34.660 0.654 -8.973 35 H4* C 507 H4* C 507 33.354 1.614 -11.051 36 H3* C 507 H3* C 507 32.320 1.011 -8.300 37 H2* C 507 H2* C 507 30.148 1.751 -8.931 38 2HO* C 507 2HO* C 507 31.526 2.408 -11.373 39 H1* C 507 H1* C 507 30.150 0.216 -11.289 40 1H4 C 507 1H4 C 507 27.051 -3.203 -6.832 41 2H4 C 507 2H4 C 507 28.554 -4.043 -6.518 42 H5 C 507 H5 C 507 30.624 -3.437 -7.478 43 H6 C 507 H6 C 507 31.775 -1.860 -8.991 44 1H5* C 508 1H5* C 508 32.625 5.644 -5.931 45 2H5* C 508 2H5* C 508 31.755 6.380 -7.276 46 H4* C 508 H4* C 508 33.727 7.604 -5.933 47 H3* C 508 H3* C 508 32.827 7.929 -8.783 48 H2* C 508 H2* C 508 34.512 9.553 -9.141 49 2HO* C 508 2HO* C 508 34.903 9.239 -6.303 50 H1* C 508 H1* C 508 36.470 7.987 -7.776 51 1H4 C 508 1H4 C 508 37.961 6.875 -13.856 52 2H4 C 508 2H4 C 508 36.365 6.228 -14.164 53 H5 C 508 H5 C 508 34.644 6.150 -12.549 54 H6 C 508 H6 C 508 34.024 6.678 -10.217 55 1H5* G 509 1H5* G 509 29.973 8.196 -10.008 56 2H5* G 509 2H5* G 509 31.506 8.323 -10.871 57 H4* G 509 H4* G 509 30.074 10.781 -11.192 58 H3* G 509 H3* G 509 28.317 8.414 -11.282 59 H2* G 509 H2* G 509 27.525 8.800 -13.471 60 2HO* G 509 2HO* G 509 29.061 11.100 -13.882 61 H1* G 509 H1* G 509 29.955 9.139 -14.661 62 H8 G 509 H8 G 509 29.567 6.885 -11.580 63 H1 G 509 H1 G 509 29.866 3.813 -17.267 64 1H2 G 509 1H2 G 509 29.970 5.196 -18.793 65 2H2 G 509 2H2 G 509 29.974 6.931 -18.566 66 1H5* U 510 1H5* U 510 25.509 13.151 -9.506 67 2H5* U 510 2H5* U 510 25.442 11.516 -8.851 68 H4* U 510 H4* U 510 23.283 12.837 -8.851 69 H3* U 510 H3* U 510 23.471 10.075 -10.052 70 H2* U 510 H2* U 510 21.121 10.081 -10.325 71 2HO* U 510 2HO* U 510 20.656 11.025 -8.323 72 H1* U 510 H1* U 510 21.150 12.798 -11.249 73 H3 U 510 H3 U 510 19.390 10.543 -14.771 74 H5 U 510 H5 U 510 23.438 9.473 -14.801 75 H6 U 510 H6 U 510 23.664 10.649 -12.662 76 1H ALA 1 HN ALA 1 38.043 10.835 -48.816 77 HA ALA 1 HA ALA 1 37.641 13.536 -49.687 78 1HB ALA 1 1HB ALA 1 36.571 11.579 -51.328 79 2HB ALA 1 2HB ALA 1 35.217 11.954 -50.236 80 3HB ALA 1 3HB ALA 1 35.975 13.250 -51.190 81 H THR 2 HN THR 2 37.191 14.513 -47.783 82 HA THR 2 HA THR 2 35.068 13.465 -46.143 83 HB THR 2 HB THR 2 37.989 13.489 -45.238 84 HG1 THR 2 HG1 THR 2 37.115 11.258 -44.647 85 1HG2 THR 2 1HG2 THR 2 35.458 13.026 -43.572 86 2HG2 THR 2 2HG2 THR 2 37.137 12.869 -43.001 87 3HG2 THR 2 3HG2 THR 2 36.492 14.468 -43.444 88 H VAL 3 HN VAL 3 34.156 15.016 -44.766 89 HA VAL 3 HA VAL 3 35.011 17.720 -45.451 90 HB VAL 3 HB VAL 3 32.485 16.562 -44.268 91 1HG1 VAL 3 1HG1 VAL 3 33.394 19.419 -44.542 92 2HG1 VAL 3 2HG1 VAL 3 31.668 19.008 -44.683 93 3HG1 VAL 3 3HG1 VAL 3 32.556 18.619 -43.190 94 1HG2 VAL 3 1HG2 VAL 3 31.727 16.462 -46.364 95 2HG2 VAL 3 2HG2 VAL 3 32.169 18.162 -46.656 96 3HG2 VAL 3 3HG2 VAL 3 33.365 16.872 -46.928 97 H VAL 4 HN VAL 4 35.464 19.305 -43.844 98 HA VAL 4 HA VAL 4 35.793 18.221 -41.139 99 HB VAL 4 HB VAL 4 37.926 19.425 -40.979 100 1HG1 VAL 4 1HG1 VAL 4 37.495 17.181 -42.905 101 2HG1 VAL 4 2HG1 VAL 4 39.114 17.918 -42.834 102 3HG1 VAL 4 3HG1 VAL 4 38.390 17.217 -41.366 103 1HG2 VAL 4 1HG2 VAL 4 39.033 20.100 -43.170 104 2HG2 VAL 4 2HG2 VAL 4 37.414 20.019 -43.904 105 3HG2 VAL 4 3HG2 VAL 4 37.734 21.166 -42.581 106 H SER 5 HN SER 5 35.508 19.760 -39.440 107 HA SER 5 HA SER 5 34.708 22.401 -40.307 108 1HB SER 5 2HB SER 5 32.984 20.538 -38.617 109 2HB SER 5 3HB SER 5 32.691 22.260 -38.757 110 HG SER 5 HG SER 5 32.748 21.735 -41.218 111 H GLY 6 HN GLY 6 34.511 23.927 -38.354 112 1HA GLY 6 1HA GLY 6 36.682 23.327 -36.507 113 2HA GLY 6 2HA GLY 6 35.888 24.868 -36.765 114 H GLN 7 HN GLN 7 35.622 25.173 -34.460 115 HA GLN 7 HA GLN 7 33.161 24.303 -33.535 116 1HB GLN 7 2HB GLN 7 33.828 22.851 -31.653 117 2HB GLN 7 3HB GLN 7 34.285 22.133 -33.186 118 1HG GLN 7 2HG GLN 7 36.609 23.188 -32.863 119 2HG GLN 7 3HG GLN 7 36.109 23.608 -31.236 120 1HE2 GLN 7 1HE2 GLN 7 38.236 21.863 -32.066 121 2HE2 GLN 7 2HE2 GLN 7 37.934 20.290 -31.408 122 H LYS 8 HN LYS 8 32.488 25.980 -32.266 123 HA LYS 8 HA LYS 8 34.263 28.013 -31.529 124 1HB LYS 8 2HB LYS 8 31.953 28.488 -32.000 125 2HB LYS 8 3HB LYS 8 31.404 27.409 -30.734 126 1HG LYS 8 2HG LYS 8 32.143 28.853 -28.997 127 2HG LYS 8 3HG LYS 8 33.264 29.702 -30.042 128 1HD LYS 8 2HD LYS 8 31.573 30.996 -31.047 129 2HD LYS 8 3HD LYS 8 30.320 29.817 -30.714 130 1HE LYS 8 2HE LYS 8 31.282 30.580 -28.158 131 2HE LYS 8 3HE LYS 8 31.221 32.074 -29.071 132 1HZ LYS 8 1HZ LYS 8 29.029 32.030 -29.023 133 2HZ LYS 8 2HZ LYS 8 28.932 30.477 -29.520 134 3HZ LYS 8 3HZ LYS 8 29.117 30.817 -27.932 135 H GLN 9 HN GLN 9 35.201 28.593 -29.547 136 HA GLN 9 HA GLN 9 35.117 26.438 -27.581 137 1HB GLN 9 2HB GLN 9 37.326 27.210 -28.941 138 2HB GLN 9 3HB GLN 9 37.413 28.374 -27.633 139 1HG GLN 9 2HG GLN 9 38.450 26.713 -26.461 140 2HG GLN 9 3HG GLN 9 36.842 26.053 -26.238 141 1HE2 GLN 9 1HE2 GLN 9 36.920 23.956 -26.476 142 2HE2 GLN 9 2HE2 GLN 9 37.699 23.071 -27.745 143 H ASP 10 HN ASP 10 35.522 27.187 -25.261 144 HA ASP 10 HA ASP 10 34.985 29.941 -24.770 145 1HB ASP 10 2HB ASP 10 32.952 29.500 -23.389 146 2HB ASP 10 3HB ASP 10 32.690 29.141 -25.085 147 H ARG 11 HN ARG 11 35.122 30.364 -22.327 148 HA ARG 11 HA ARG 11 37.120 28.710 -21.237 149 1HB ARG 11 2HB ARG 11 36.451 31.338 -20.922 150 2HB ARG 11 3HB ARG 11 35.669 30.688 -19.494 151 1HG ARG 11 2HG ARG 11 38.486 29.778 -20.040 152 2HG ARG 11 3HG ARG 11 38.274 31.436 -19.513 153 1HD ARG 11 2HD ARG 11 37.337 30.799 -17.426 154 2HD ARG 11 3HD ARG 11 36.866 29.214 -18.006 155 HE ARG 11 HE ARG 11 39.698 29.366 -18.201 156 1HH1 ARG 11 2HH2 ARG 11 37.221 29.363 -15.701 157 2HH1 ARG 11 1HH2 ARG 11 38.252 28.658 -14.501 158 1HH2 ARG 11 2HH1 ARG 11 41.059 28.436 -16.618 159 2HH2 ARG 11 1HH1 ARG 11 40.450 28.128 -15.026 160 H GLN 12 HN GLN 12 36.627 26.718 -20.355 161 HA GLN 12 HA GLN 12 34.581 26.661 -18.343 162 1HB GLN 12 2HB GLN 12 34.192 25.517 -21.016 163 2HB GLN 12 3HB GLN 12 34.061 24.288 -19.774 164 1HG GLN 12 2HG GLN 12 32.667 26.869 -19.181 165 2HG GLN 12 3HG GLN 12 31.998 25.938 -20.506 166 1HE2 GLN 12 1HE2 GLN 12 30.524 26.366 -18.285 167 2HE2 GLN 12 2HE2 GLN 12 30.310 24.911 -17.369 168 H GLY 13 HN GLY 13 36.077 26.144 -16.742 169 1HA GLY 13 1HA GLY 13 38.087 24.113 -17.234 170 2HA GLY 13 2HA GLY 13 37.858 25.071 -15.784 171 H GLY 14 HN GLY 14 37.880 21.970 -16.759 172 1HA GLY 14 1HA GLY 14 35.719 21.195 -14.892 173 2HA GLY 14 2HA GLY 14 36.000 20.358 -16.406 174 H GLU 15 HN GLU 15 36.650 20.315 -13.099 175 HA GLU 15 HA GLU 15 39.267 19.146 -13.387 176 1HB GLU 15 2HB GLU 15 37.998 20.636 -11.374 177 2HB GLU 15 3HB GLU 15 38.047 19.015 -10.710 178 1HG GLU 15 2HG GLU 15 40.597 19.425 -11.918 179 2HG GLU 15 3HG GLU 15 40.233 20.916 -11.072 180 H ARG 16 HN ARG 16 38.459 17.302 -14.714 181 HA ARG 16 HA ARG 16 37.264 15.304 -12.967 182 1HB ARG 16 2HB ARG 16 36.222 14.307 -15.038 183 2HB ARG 16 3HB ARG 16 35.623 15.915 -14.682 184 1HG ARG 16 2HG ARG 16 37.952 16.257 -16.320 185 2HG ARG 16 3HG ARG 16 37.006 14.978 -17.058 186 1HD ARG 16 2HD ARG 16 35.069 16.893 -16.342 187 2HD ARG 16 3HD ARG 16 36.424 17.866 -16.878 188 HE ARG 16 HE ARG 16 36.290 15.975 -18.858 189 1HH1 ARG 16 2HH2 ARG 16 33.837 18.023 -17.385 190 2HH1 ARG 16 1HH2 ARG 16 32.858 18.097 -18.812 191 1HH2 ARG 16 2HH1 ARG 16 34.999 16.072 -20.742 192 2HH2 ARG 16 1HH1 ARG 16 33.524 16.980 -20.735 193 H ARG 17 HN ARG 17 38.569 13.516 -12.663 194 HA ARG 17 HA ARG 17 40.510 12.982 -14.761 195 1HB ARG 17 2HB ARG 17 42.115 12.276 -12.900 196 2HB ARG 17 3HB ARG 17 41.794 13.997 -12.974 197 1HG ARG 17 2HG ARG 17 39.900 13.539 -11.237 198 2HG ARG 17 3HG ARG 17 40.648 11.970 -11.014 199 1HD ARG 17 2HD ARG 17 42.829 13.734 -10.882 200 2HD ARG 17 3HD ARG 17 41.551 14.623 -10.077 201 HE ARG 17 HE ARG 17 41.336 12.090 -8.978 202 1HH1 ARG 17 2HH2 ARG 17 43.986 14.377 -9.329 203 2HH1 ARG 17 1HH2 ARG 17 44.807 13.841 -7.901 204 1HH2 ARG 17 2HH1 ARG 17 42.419 11.381 -7.096 205 2HH2 ARG 17 1HH1 ARG 17 43.909 12.125 -6.622 206 H ARG 18 HN ARG 18 38.157 11.656 -14.891 207 HA ARG 18 HA ARG 18 38.496 9.226 -13.355 208 1HB ARG 18 2HB ARG 18 36.171 10.401 -14.936 209 2HB ARG 18 3HB ARG 18 36.151 8.729 -14.415 210 1HG ARG 18 2HG ARG 18 36.514 9.494 -12.039 211 2HG ARG 18 3HG ARG 18 36.456 11.158 -12.585 212 1HD ARG 18 2HD ARG 18 34.184 9.159 -13.016 213 2HD ARG 18 3HD ARG 18 34.253 10.272 -11.664 214 HE ARG 18 HE ARG 18 33.630 10.940 -14.447 215 1HH1 ARG 18 2HH2 ARG 18 34.782 12.206 -11.373 216 2HH1 ARG 18 1HH2 ARG 18 34.325 13.840 -11.729 217 1HH2 ARG 18 2HH1 ARG 18 33.027 13.093 -14.917 218 2HH2 ARG 18 1HH1 ARG 18 33.319 14.347 -13.758 219 H SER 19 HN SER 19 40.495 9.089 -15.014 220 HA SER 19 HA SER 19 41.383 8.353 -16.889 221 1HB SER 19 2HB SER 19 39.372 6.086 -16.739 222 2HB SER 19 3HB SER 19 41.061 6.008 -17.200 223 HG SER 19 HG SER 19 40.134 6.702 -14.544 224 H GLN 20 HN GLN 20 39.954 6.457 -18.827 225 HA GLN 20 HA GLN 20 38.775 8.577 -20.386 226 1HB GLN 20 2HB GLN 20 40.554 6.960 -21.276 227 2HB GLN 20 3HB GLN 20 39.330 5.705 -21.239 228 1HG GLN 20 2HG GLN 20 38.018 7.799 -22.550 229 2HG GLN 20 3HG GLN 20 39.661 7.952 -23.137 230 1HE2 GLN 20 1HE2 GLN 20 38.063 7.380 -25.033 231 2HE2 GLN 20 2HE2 GLN 20 38.061 5.716 -25.513 232 H LEU 21 HN LEU 21 37.321 7.549 -18.041 233 HA LEU 21 HA LEU 21 35.398 5.663 -18.770 234 1HB LEU 21 2HB LEU 21 36.135 6.877 -16.488 235 2HB LEU 21 3HB LEU 21 34.690 7.803 -16.842 236 HG LEU 21 HG LEU 21 34.934 4.843 -16.312 237 1HD1 LEU 21 1HD1 LEU 21 33.863 5.233 -14.361 238 2HD1 LEU 21 2HD1 LEU 21 34.547 6.863 -14.579 239 3HD1 LEU 21 3HD1 LEU 21 32.859 6.537 -15.039 240 1HD2 LEU 21 1HD2 LEU 21 32.623 6.306 -17.601 241 2HD2 LEU 21 2HD2 LEU 21 33.513 4.891 -18.210 242 3HD2 LEU 21 3HD2 LEU 21 32.458 4.732 -16.786 243 H ASP 22 HN ASP 22 34.472 5.983 -20.791 244 HA ASP 22 HA ASP 22 33.682 8.446 -21.737 245 1HB ASP 22 2HB ASP 22 33.874 5.998 -22.825 246 2HB ASP 22 3HB ASP 22 32.158 5.940 -22.470 247 H ARG 23 HN ARG 23 31.501 9.403 -21.876 248 HA ARG 23 HA ARG 23 30.045 9.120 -19.529 249 1HB ARG 23 2HB ARG 23 29.783 10.643 -22.098 250 2HB ARG 23 3HB ARG 23 28.293 10.422 -21.203 251 1HG ARG 23 2HG ARG 23 30.872 11.665 -20.140 252 2HG ARG 23 3HG ARG 23 29.384 12.516 -20.503 253 1HD ARG 23 2HD ARG 23 28.665 10.390 -18.726 254 2HD ARG 23 3HD ARG 23 30.125 11.102 -18.066 255 HE ARG 23 HE ARG 23 28.354 13.213 -18.860 256 1HH1 ARG 23 2HH2 ARG 23 28.652 10.702 -16.413 257 2HH1 ARG 23 1HH2 ARG 23 27.735 11.571 -15.228 258 1HH2 ARG 23 2HH1 ARG 23 27.145 14.360 -17.297 259 2HH2 ARG 23 1HH1 ARG 23 26.872 13.665 -15.734 260 H ASP 24 HN ASP 24 30.187 7.143 -22.290 261 HA ASP 24 HA ASP 24 27.534 6.102 -21.678 262 1HB ASP 24 2HB ASP 24 28.946 6.254 -24.382 263 2HB ASP 24 3HB ASP 24 27.481 5.332 -24.107 264 H GLN 25 HN GLN 25 30.307 5.469 -20.639 265 HA GLN 25 HA GLN 25 30.618 2.808 -21.786 266 1HB GLN 25 2HB GLN 25 32.536 4.857 -20.829 267 2HB GLN 25 3HB GLN 25 32.885 3.241 -20.247 268 1HG GLN 25 2HG GLN 25 32.655 2.423 -22.665 269 2HG GLN 25 3HG GLN 25 32.557 4.101 -23.156 270 1HE2 GLN 25 1HE2 GLN 25 34.531 2.324 -24.003 271 2HE2 GLN 25 2HE2 GLN 25 36.078 2.839 -23.419 272 H CYS 26 HN CYS 26 31.918 1.413 -19.840 273 HA CYS 26 HA CYS 26 30.083 1.625 -17.564 274 1HB CYS 26 2HB CYS 26 29.622 -0.373 -18.904 275 2HB CYS 26 3HB CYS 26 31.297 -0.873 -18.788 276 H ALA 27 HN ALA 27 31.033 1.540 -15.480 277 HA ALA 27 HA ALA 27 33.966 1.648 -15.499 278 1HB ALA 27 1HB ALA 27 32.152 2.625 -13.281 279 2HB ALA 27 2HB ALA 27 33.817 3.126 -13.669 280 3HB ALA 27 3HB ALA 27 32.470 3.625 -14.719 281 H TYR 28 HN TYR 28 32.398 -0.853 -15.625 282 HA TYR 28 HA TYR 28 33.242 -1.955 -13.032 283 1HB TYR 28 2HB TYR 28 30.682 -1.636 -13.501 284 2HB TYR 28 3HB TYR 28 30.869 -2.788 -14.808 285 HD1 TYR 28 HD1 TYR 28 30.367 -2.366 -11.269 286 HD2 TYR 28 HD2 TYR 28 31.650 -5.158 -14.245 287 HE1 TYR 28 HE1 TYR 28 29.991 -4.284 -9.643 288 HE2 TYR 28 HE2 TYR 28 31.270 -7.066 -12.610 289 HH TYR 28 HH TYR 28 31.148 -6.789 -9.516 290 H CYS 29 HN CYS 29 32.074 -3.007 -16.318 291 HA CYS 29 HA CYS 29 34.097 -5.091 -16.230 292 1HB CYS 29 2HB CYS 29 32.898 -6.077 -18.124 293 2HB CYS 29 3HB CYS 29 31.820 -5.796 -16.769 294 H LYS 30 HN LYS 30 33.327 -1.954 -17.591 295 HA LYS 30 HA LYS 30 34.766 -0.585 -18.662 296 1HB LYS 30 2HB LYS 30 36.521 -2.578 -18.116 297 2HB LYS 30 3HB LYS 30 36.473 -2.697 -19.863 298 1HG LYS 30 2HG LYS 30 37.882 -0.924 -19.969 299 2HG LYS 30 3HG LYS 30 36.594 0.085 -19.344 300 1HD LYS 30 2HD LYS 30 37.832 -1.437 -17.173 301 2HD LYS 30 3HD LYS 30 39.053 -0.551 -18.067 302 1HE LYS 30 2HE LYS 30 38.155 1.538 -17.514 303 2HE LYS 30 3HE LYS 30 36.520 0.923 -17.373 304 1HZ LYS 30 1HZ LYS 30 38.017 1.461 -15.299 305 2HZ LYS 30 2HZ LYS 30 36.868 0.302 -15.261 306 3HZ LYS 30 3HZ LYS 30 38.434 -0.107 -15.479 307 H GLU 31 HN GLU 31 32.340 -2.201 -19.529 308 HA GLU 31 HA GLU 31 32.757 -2.611 -22.308 309 1HB GLU 31 2HB GLU 31 30.420 -2.801 -20.411 310 2HB GLU 31 3HB GLU 31 30.091 -2.728 -22.131 311 1HG GLU 31 2HG GLU 31 32.152 -4.677 -21.044 312 2HG GLU 31 3HG GLU 31 30.447 -5.076 -20.999 313 H LYS 32 HN LYS 32 30.707 -1.550 -23.710 314 HA LYS 32 HA LYS 32 30.598 1.291 -23.048 315 1HB LYS 32 2HB LYS 32 32.543 0.684 -24.651 316 2HB LYS 32 3HB LYS 32 31.292 0.409 -25.846 317 1HG LYS 32 2HG LYS 32 30.557 2.677 -25.789 318 2HG LYS 32 3HG LYS 32 31.312 2.982 -24.238 319 1HD LYS 32 2HD LYS 32 32.961 3.947 -25.508 320 2HD LYS 32 3HD LYS 32 33.528 2.299 -25.688 321 1HE LYS 32 2HE LYS 32 32.177 2.077 -27.796 322 2HE LYS 32 3HE LYS 32 31.645 3.737 -27.619 323 1HZ LYS 32 1HZ LYS 32 34.231 4.086 -27.460 324 2HZ LYS 32 2HZ LYS 32 34.240 2.730 -28.371 325 3HZ LYS 32 3HZ LYS 32 33.447 4.058 -28.894 326 H GLY 33 HN GLY 33 28.503 1.881 -23.014 327 1HA GLY 33 1HA GLY 33 26.603 2.046 -24.686 328 2HA GLY 33 2HA GLY 33 26.618 0.294 -24.641 329 H HIS 34 HN HIS 34 27.150 -0.205 -21.893 330 HA HIS 34 HA HIS 34 24.684 0.859 -20.734 331 1HB HIS 34 2HB HIS 34 24.538 -1.150 -19.438 332 2HB HIS 34 3HB HIS 34 24.762 -1.584 -21.122 333 HD1 HIS 34 HD1 HIS 34 26.593 -3.230 -21.607 334 HD2 HIS 34 HD2 HIS 34 27.098 -1.337 -17.898 335 HE1 HIS 34 HE1 HIS 34 28.587 -4.364 -20.493 336 H TRP 35 HN TRP 35 24.708 1.296 -18.365 337 HA TRP 35 HA TRP 35 27.245 2.536 -17.663 338 1HB TRP 35 2HB TRP 35 24.396 2.922 -16.942 339 2HB TRP 35 3HB TRP 35 25.566 3.235 -15.677 340 HD1 TRP 35 HD1 TRP 35 25.965 4.138 -19.456 341 HE1 TRP 35 HE1 TRP 35 26.378 6.727 -19.750 342 HE3 TRP 35 HE3 TRP 35 25.423 5.315 -14.539 343 HZ2 TRP 35 HZ2 TRP 35 26.431 8.928 -17.933 344 HZ3 TRP 35 HZ3 TRP 35 25.671 7.707 -13.884 345 HH2 TRP 35 HH2 TRP 35 26.158 9.485 -15.489 346 H ALA 36 HN ALA 36 27.806 2.337 -15.194 347 HA ALA 36 HA ALA 36 28.421 -0.308 -14.663 348 1HB ALA 36 1HB ALA 36 28.542 2.314 -13.278 349 2HB ALA 36 2HB ALA 36 28.526 0.894 -12.205 350 3HB ALA 36 3HB ALA 36 29.785 1.052 -13.453 351 H LYS 37 HN LYS 37 25.741 1.782 -13.411 352 HA LYS 37 HA LYS 37 24.684 -0.221 -11.738 353 1HB LYS 37 2HB LYS 37 23.213 2.143 -12.929 354 2HB LYS 37 3HB LYS 37 22.825 1.274 -11.458 355 1HG LYS 37 2HG LYS 37 25.587 2.154 -11.317 356 2HG LYS 37 3HG LYS 37 24.585 3.520 -11.766 357 1HD LYS 37 2HD LYS 37 23.061 3.012 -9.826 358 2HD LYS 37 3HD LYS 37 24.113 1.689 -9.365 359 1HE LYS 37 2HE LYS 37 26.014 3.547 -9.398 360 2HE LYS 37 3HE LYS 37 24.671 4.666 -9.274 361 1HZ LYS 37 1HZ LYS 37 24.072 3.812 -7.244 362 2HZ LYS 37 2HZ LYS 37 24.840 2.388 -7.459 363 3HZ LYS 37 3HZ LYS 37 25.701 3.742 -7.158 364 H ASP 38 HN ASP 38 24.890 0.005 -15.125 365 HA ASP 38 HA ASP 38 22.535 -1.697 -15.374 366 1HB ASP 38 2HB ASP 38 22.861 0.611 -16.687 367 2HB ASP 38 3HB ASP 38 23.877 -0.360 -17.733 368 H CYS 39 HN CYS 39 25.629 -2.072 -14.748 369 HA CYS 39 HA CYS 39 26.708 -3.387 -16.987 370 1HB CYS 39 2HB CYS 39 28.053 -2.397 -15.132 371 2HB CYS 39 3HB CYS 39 27.493 -3.670 -14.068 372 HA PRO 40 HA PRO 40 24.348 -7.053 -16.390 373 1HB PRO 40 2HB PRO 40 25.197 -8.390 -18.618 374 2HB PRO 40 3HB PRO 40 23.880 -7.234 -18.637 375 1HG PRO 40 2HG PRO 40 26.646 -6.909 -19.626 376 2HG PRO 40 3HG PRO 40 25.225 -5.956 -20.007 377 1HD PRO 40 2HD PRO 40 27.358 -5.223 -18.234 378 2HD PRO 40 3HD PRO 40 25.882 -4.324 -18.527 379 H LYS 41 HN LYS 41 27.517 -6.561 -15.888 380 HA LYS 41 HA LYS 41 28.131 -9.377 -15.519 381 1HB LYS 41 2HB LYS 41 29.622 -7.070 -16.208 382 2HB LYS 41 3HB LYS 41 30.195 -7.566 -14.628 383 1HG LYS 41 2HG LYS 41 29.930 -9.999 -16.005 384 2HG LYS 41 3HG LYS 41 30.516 -8.904 -17.239 385 1HD LYS 41 2HD LYS 41 32.597 -9.208 -16.385 386 2HD LYS 41 3HD LYS 41 32.090 -8.252 -15.007 387 1HE LYS 41 2HE LYS 41 33.005 -10.412 -14.240 388 2HE LYS 41 3HE LYS 41 31.299 -10.313 -13.847 389 1HZ LYS 41 1HZ LYS 41 31.467 -11.385 -16.372 390 2HZ LYS 41 2HZ LYS 41 32.595 -12.163 -15.485 391 3HZ LYS 41 3HZ LYS 41 31.037 -12.153 -14.997 392 H LYS 42 HN LYS 42 26.753 -6.728 -13.809 393 HA LYS 42 HA LYS 42 27.514 -7.936 -11.248 394 1HB LYS 42 2HB LYS 42 27.119 -5.847 -10.228 395 2HB LYS 42 3HB LYS 42 28.023 -5.496 -11.686 396 1HG LYS 42 2HG LYS 42 26.274 -4.370 -12.660 397 2HG LYS 42 3HG LYS 42 25.083 -5.524 -12.097 398 1HD LYS 42 2HD LYS 42 24.455 -4.035 -10.510 399 2HD LYS 42 3HD LYS 42 26.016 -4.247 -9.743 400 1HE LYS 42 2HE LYS 42 26.897 -2.501 -11.481 401 2HE LYS 42 3HE LYS 42 25.210 -2.141 -11.787 402 1HZ LYS 42 1HZ LYS 42 26.405 -0.837 -10.000 403 2HZ LYS 42 2HZ LYS 42 24.920 -1.410 -9.633 404 3HZ LYS 42 3HZ LYS 42 26.251 -2.162 -9.057 405 HA PRO 43 HA PRO 43 23.465 -9.334 -10.735 406 1HB PRO 43 2HB PRO 43 23.236 -9.423 -8.012 407 2HB PRO 43 3HB PRO 43 24.063 -10.654 -8.945 408 1HG PRO 43 2HG PRO 43 25.219 -8.514 -7.266 409 2HG PRO 43 3HG PRO 43 25.977 -9.982 -7.850 410 1HD PRO 43 2HD PRO 43 26.355 -7.331 -8.876 411 2HD PRO 43 3HD PRO 43 27.021 -8.813 -9.531 412 H ARG 44 HN ARG 44 21.251 -8.947 -9.801 413 HA ARG 44 HA ARG 44 20.333 -6.608 -10.555 414 1HB ARG 44 2HB ARG 44 18.466 -6.911 -8.860 415 2HB ARG 44 3HB ARG 44 18.829 -8.359 -9.777 416 1HG ARG 44 2HG ARG 44 20.446 -8.101 -7.302 417 2HG ARG 44 3HG ARG 44 18.723 -8.196 -6.999 418 1HD ARG 44 2HD ARG 44 18.530 -10.351 -7.929 419 2HD ARG 44 3HD ARG 44 19.926 -10.147 -8.969 420 HE ARG 44 HE ARG 44 21.071 -10.032 -6.481 421 1HH1 ARG 44 2HH2 ARG 44 18.811 -12.303 -7.932 422 2HH1 ARG 44 1HH2 ARG 44 19.359 -13.650 -6.991 423 1HH2 ARG 44 2HH1 ARG 44 21.796 -11.807 -5.238 424 2HH2 ARG 44 1HH1 ARG 44 21.070 -13.365 -5.448 425 H GLY 45 HN GLY 45 19.944 -4.490 -9.661 426 1HA GLY 45 1HA GLY 45 20.765 -3.847 -6.983 427 2HA GLY 45 2HA GLY 45 21.910 -3.304 -8.192 428 HA PRO 46 HA PRO 46 22.123 -1.711 -6.998 429 1HB PRO 46 2HB PRO 46 21.777 0.424 -5.327 430 2HB PRO 46 3HB PRO 46 22.496 0.560 -6.919 431 1HG PRO 46 2HG PRO 46 19.790 1.355 -6.032 432 2HG PRO 46 3HG PRO 46 20.667 1.854 -7.465 433 1HD PRO 46 2HD PRO 46 18.527 -0.050 -7.341 434 2HD PRO 46 3HD PRO 46 19.480 0.363 -8.751 435 H ARG 47 HN ARG 47 22.737 -1.596 -4.500 436 HA ARG 47 HA ARG 47 22.580 -2.854 -2.726 437 1HB ARG 47 2HB ARG 47 20.105 -1.184 -2.828 438 2HB ARG 47 3HB ARG 47 20.040 -2.506 -1.679 439 1HG ARG 47 2HG ARG 47 22.451 -1.644 -0.966 440 2HG ARG 47 3HG ARG 47 21.955 -0.159 -1.754 441 1HD ARG 47 2HD ARG 47 19.743 -0.977 -0.130 442 2HD ARG 47 3HD ARG 47 21.175 -1.181 0.858 443 HE ARG 47 HE ARG 47 21.578 1.304 -0.273 444 1HH1 ARG 47 2HH2 ARG 47 18.895 -0.133 1.493 445 2HH1 ARG 47 1HH2 ARG 47 18.359 1.373 2.158 446 1HH2 ARG 47 2HH1 ARG 47 20.872 3.292 0.605 447 2HH2 ARG 47 1HH1 ARG 47 19.491 3.335 1.651 448 H GLY 48 HN GLY 48 22.715 -5.006 -3.590 449 1HA GLY 48 1HA GLY 48 20.114 -6.374 -3.938 450 2HA GLY 48 2HA GLY 48 21.579 -6.779 -4.809 451 HA PRO 49 HA PRO 49 21.683 -8.421 -0.335 452 1HB PRO 49 2HB PRO 49 19.288 -9.421 0.520 453 2HB PRO 49 3HB PRO 49 19.886 -7.840 0.981 454 1HG PRO 49 2HG PRO 49 17.762 -8.526 -0.957 455 2HG PRO 49 3HG PRO 49 18.080 -6.991 -0.175 456 1HD PRO 49 2HD PRO 49 18.713 -7.703 -2.880 457 2HD PRO 49 3HD PRO 49 19.135 -6.210 -2.063 458 H ARG 50 HN ARG 50 21.469 -10.733 0.603 459 HA ARG 50 HA ARG 50 21.411 -12.417 -1.770 460 1HB ARG 50 2HB ARG 50 23.066 -12.583 0.788 461 2HB ARG 50 3HB ARG 50 22.925 -13.947 -0.301 462 1HG ARG 50 2HG ARG 50 23.941 -12.717 -2.128 463 2HG ARG 50 3HG ARG 50 23.812 -11.196 -1.267 464 1HD ARG 50 2HD ARG 50 25.412 -12.055 0.471 465 2HD ARG 50 3HD ARG 50 25.553 -13.561 -0.413 466 HE ARG 50 HE ARG 50 26.714 -10.962 -1.177 467 1HH1 ARG 50 2HH2 ARG 50 25.889 -14.220 -2.219 468 2HH1 ARG 50 1HH2 ARG 50 27.003 -14.216 -3.544 469 1HH2 ARG 50 2HH1 ARG 50 28.186 -10.957 -2.925 470 2HH2 ARG 50 1HH1 ARG 50 28.320 -12.347 -3.948 471 HA PRO 51 HA PRO 51 18.302 -14.726 0.239 472 1HB PRO 51 2HB PRO 51 18.498 -17.134 -1.038 473 2HB PRO 51 3HB PRO 51 17.676 -15.748 -1.727 474 1HG PRO 51 2HG PRO 51 20.320 -16.871 -2.427 475 2HG PRO 51 3HG PRO 51 19.308 -15.784 -3.357 476 1HD PRO 51 2HD PRO 51 21.657 -15.088 -1.865 477 2HD PRO 51 3HD PRO 51 20.579 -13.985 -2.698 478 H GLN 52 HN GLN 52 17.758 -16.818 1.447 479 HA GLN 52 HA GLN 52 19.995 -17.148 3.225 480 1HB GLN 52 2HB GLN 52 18.358 -18.274 4.701 481 2HB GLN 52 3HB GLN 52 17.768 -16.708 4.183 482 1HG GLN 52 2HG GLN 52 16.026 -17.609 2.998 483 2HG GLN 52 3HG GLN 52 17.013 -18.897 2.335 484 1HE2 GLN 52 1HE2 GLN 52 14.892 -19.986 2.799 485 2HE2 GLN 52 2HE2 GLN 52 14.703 -20.773 4.331 486 H THR 53 HN THR 53 20.999 -18.259 1.108 487 HA THR 53 HA THR 53 20.474 -21.142 1.399 488 HB THR 53 HB THR 53 20.983 -19.470 -1.115 489 HG1 THR 53 HG1 THR 53 18.775 -19.629 -0.333 490 1HG2 THR 53 1HG2 THR 53 21.533 -22.311 -0.561 491 2HG2 THR 53 2HG2 THR 53 20.275 -22.117 -1.804 492 3HG2 THR 53 3HG2 THR 53 21.874 -21.370 -2.034 493 H SER 54 HN SER 54 22.168 -20.536 3.176 494 HA SER 54 HA SER 54 24.793 -20.276 2.021 495 1HB SER 54 2HB SER 54 24.375 -18.951 4.003 496 2HB SER 54 3HB SER 54 23.757 -20.335 4.882 497 HG SER 54 HG SER 54 26.481 -19.822 4.071 498 H LEU 55 HN LEU 55 22.862 -22.572 4.061 499 HA LEU 55 HA LEU 55 23.354 -24.656 4.736 500 1HB LEU 55 2HB LEU 55 23.115 -26.194 3.000 501 2HB LEU 55 3HB LEU 55 22.257 -24.755 2.484 502 HG LEU 55 HG LEU 55 24.915 -24.546 1.483 503 1HD1 LEU 55 1HD1 LEU 55 25.302 -26.520 0.266 504 2HD1 LEU 55 2HD1 LEU 55 24.910 -27.056 1.917 505 3HD1 LEU 55 3HD1 LEU 55 23.684 -27.167 0.630 506 1HD2 LEU 55 1HD2 LEU 55 22.754 -23.626 0.567 507 2HD2 LEU 55 2HD2 LEU 55 23.845 -24.364 -0.630 508 3HD2 LEU 55 3HD2 LEU 55 22.413 -25.256 -0.062 509 H LEU 56 HN LEU 56 25.407 -23.535 5.745 510 HA LEU 56 HA LEU 56 27.714 -25.025 4.707 511 1HB LEU 56 2HB LEU 56 27.391 -22.222 4.844 512 2HB LEU 56 3HB LEU 56 28.504 -22.656 6.126 513 HG LEU 56 HG LEU 56 29.003 -23.842 3.435 514 1HD1 LEU 56 1HD1 LEU 56 29.146 -21.930 2.323 515 2HD1 LEU 56 2HD1 LEU 56 28.651 -21.022 3.772 516 3HD1 LEU 56 3HD1 LEU 56 30.373 -21.360 3.479 517 1HD2 LEU 56 1HD2 LEU 56 30.454 -24.444 5.269 518 2HD2 LEU 56 2HD2 LEU 56 31.354 -23.450 4.098 519 3HD2 LEU 56 3HD2 LEU 56 30.780 -22.730 5.621 Start of MODEL 16 1 1H5* C 504 1H5* C 504 32.467 -6.251 -1.869 2 2H5* C 504 2H5* C 504 33.896 -5.500 -2.580 3 H4* C 504 H4* C 504 34.432 -7.770 -2.219 4 H3* C 504 H3* C 504 33.755 -7.398 -5.159 5 H2* C 504 H2* C 504 34.709 -9.493 -5.485 6 2HO* C 504 2HO* C 504 35.915 -9.088 -2.902 7 H1* C 504 H1* C 504 34.001 -10.232 -2.703 8 1H4 C 504 1H4 C 504 31.020 -14.784 -5.996 9 2H4 C 504 2H4 C 504 30.197 -13.584 -6.967 10 H5 C 504 H5 C 504 30.553 -11.258 -6.767 11 H6 C 504 H6 C 504 31.800 -9.493 -5.571 12 1H5* C 505 1H5* C 505 37.091 -8.842 -5.955 13 2H5* C 505 2H5* C 505 38.141 -7.554 -6.545 14 H4* C 505 H4* C 505 38.411 -9.093 -8.204 15 H3* C 505 H3* C 505 36.151 -7.298 -9.020 16 H2* C 505 H2* C 505 35.845 -8.527 -11.022 17 2HO* C 505 2HO* C 505 37.801 -10.420 -10.586 18 H1* C 505 H1* C 505 36.022 -11.021 -9.663 19 1H4 C 505 1H4 C 505 29.781 -10.082 -10.678 20 2H4 C 505 2H4 C 505 29.720 -9.087 -9.240 21 H5 C 505 H5 C 505 31.622 -8.476 -7.981 22 H6 C 505 H6 C 505 34.076 -8.672 -7.790 23 1H5* U 506 1H5* U 506 39.241 -2.872 -9.630 24 2H5* U 506 2H5* U 506 37.994 -3.582 -8.604 25 H4* U 506 H4* U 506 37.511 -2.235 -10.900 26 H3* U 506 H3* U 506 35.878 -4.405 -9.570 27 H2* U 506 H2* U 506 34.287 -4.177 -11.253 28 2HO* U 506 2HO* U 506 35.629 -1.707 -11.878 29 H1* U 506 H1* U 506 36.396 -3.381 -13.160 30 H3 U 506 H3 U 506 35.806 -6.853 -15.937 31 H5 U 506 H5 U 506 33.942 -8.158 -12.420 32 H6 U 506 H6 U 506 34.729 -6.095 -11.354 33 1H5* C 507 1H5* C 507 34.655 0.158 -10.703 34 2H5* C 507 2H5* C 507 34.263 0.398 -9.001 35 H4* C 507 H4* C 507 33.054 1.636 -11.140 36 H3* C 507 H3* C 507 32.364 1.361 -8.245 37 H2* C 507 H2* C 507 30.215 2.308 -8.591 38 2HO* C 507 2HO* C 507 30.989 3.829 -10.132 39 H1* C 507 H1* C 507 29.607 0.662 -10.757 40 1H4 C 507 1H4 C 507 27.286 -2.325 -5.589 41 2H4 C 507 2H4 C 507 28.799 -3.194 -5.464 42 H5 C 507 H5 C 507 30.685 -2.752 -6.814 43 H6 C 507 H6 C 507 31.594 -1.353 -8.634 44 1H5* C 508 1H5* C 508 35.419 5.087 -6.775 45 2H5* C 508 2H5* C 508 34.152 6.199 -7.294 46 H4* C 508 H4* C 508 36.225 7.369 -7.331 47 H3* C 508 H3* C 508 34.943 6.816 -9.944 48 H2* C 508 H2* C 508 36.779 7.593 -11.212 49 2HO* C 508 2HO* C 508 37.973 8.259 -8.683 50 H1* C 508 H1* C 508 38.700 6.133 -9.981 51 1H4 C 508 1H4 C 508 35.616 0.997 -12.555 52 2H4 C 508 2H4 C 508 35.350 2.107 -13.880 53 H5 C 508 H5 C 508 35.846 4.414 -13.786 54 H6 C 508 H6 C 508 36.728 6.243 -12.381 55 1H5* G 509 1H5* G 509 32.868 11.460 -10.685 56 2H5* G 509 2H5* G 509 31.797 10.799 -9.449 57 H4* G 509 H4* G 509 31.136 11.214 -12.066 58 H3* G 509 H3* G 509 29.932 9.348 -10.012 59 H2* G 509 H2* G 509 28.383 8.660 -11.611 60 2HO* G 509 2HO* G 509 29.254 11.058 -12.950 61 H1* G 509 H1* G 509 30.361 9.110 -13.749 62 H8 G 509 H8 G 509 29.778 6.631 -10.868 63 H1 G 509 H1 G 509 30.045 4.040 -16.791 64 1H2 G 509 1H2 G 509 30.389 5.526 -18.179 65 2H2 G 509 2H2 G 509 30.578 7.222 -17.793 66 1H5* U 510 1H5* U 510 27.414 14.104 -10.620 67 2H5* U 510 2H5* U 510 27.179 13.642 -8.934 68 H4* U 510 H4* U 510 25.280 14.878 -9.447 69 H3* U 510 H3* U 510 24.700 11.938 -9.607 70 H2* U 510 H2* U 510 22.438 12.382 -10.145 71 2HO* U 510 2HO* U 510 21.785 14.145 -9.063 72 H1* U 510 H1* U 510 23.197 14.443 -11.991 73 H3 U 510 H3 U 510 21.463 11.806 -15.153 74 H5 U 510 H5 U 510 24.164 9.242 -13.240 75 H6 U 510 H6 U 510 24.639 11.070 -11.675 76 1H ALA 1 HN ALA 1 62.153 -0.910 -50.612 77 HA ALA 1 HA ALA 1 60.463 -3.243 -50.025 78 1HB ALA 1 1HB ALA 1 60.033 -1.166 -48.137 79 2HB ALA 1 2HB ALA 1 60.854 -2.723 -47.876 80 3HB ALA 1 3HB ALA 1 61.794 -1.291 -48.358 81 H THR 2 HN THR 2 58.116 -2.699 -49.633 82 HA THR 2 HA THR 2 57.239 -0.264 -50.977 83 HB THR 2 HB THR 2 55.749 -1.610 -52.471 84 HG1 THR 2 HG1 THR 2 56.360 -3.993 -52.407 85 1HG2 THR 2 1HG2 THR 2 58.676 -2.515 -52.562 86 2HG2 THR 2 2HG2 THR 2 57.498 -2.749 -53.876 87 3HG2 THR 2 3HG2 THR 2 57.998 -1.105 -53.409 88 H VAL 3 HN VAL 3 56.610 0.459 -48.899 89 HA VAL 3 HA VAL 3 54.064 -0.683 -48.113 90 HB VAL 3 HB VAL 3 55.731 -1.908 -46.796 91 1HG1 VAL 3 1HG1 VAL 3 57.618 -0.787 -46.297 92 2HG1 VAL 3 2HG1 VAL 3 56.818 0.799 -46.396 93 3HG1 VAL 3 3HG1 VAL 3 56.702 -0.166 -44.903 94 1HG2 VAL 3 1HG2 VAL 3 53.621 -0.199 -45.673 95 2HG2 VAL 3 2HG2 VAL 3 53.948 -1.933 -45.430 96 3HG2 VAL 3 3HG2 VAL 3 54.833 -0.718 -44.476 97 H VAL 4 HN VAL 4 53.978 1.509 -49.484 98 HA VAL 4 HA VAL 4 54.553 3.842 -47.914 99 HB VAL 4 HB VAL 4 54.769 3.713 -50.381 100 1HG1 VAL 4 1HG1 VAL 4 52.227 2.560 -50.276 101 2HG1 VAL 4 2HG1 VAL 4 51.956 4.172 -50.981 102 3HG1 VAL 4 3HG1 VAL 4 53.117 3.056 -51.736 103 1HG2 VAL 4 1HG2 VAL 4 53.945 5.921 -50.817 104 2HG2 VAL 4 2HG2 VAL 4 52.724 5.784 -49.529 105 3HG2 VAL 4 3HG2 VAL 4 54.453 5.863 -49.111 106 H SER 5 HN SER 5 53.206 4.885 -46.518 107 HA SER 5 HA SER 5 50.458 4.912 -46.805 108 1HB SER 5 2HB SER 5 49.688 3.458 -45.027 109 2HB SER 5 3HB SER 5 50.679 2.502 -46.111 110 HG SER 5 HG SER 5 51.256 2.056 -43.926 111 H GLY 6 HN GLY 6 49.461 6.295 -45.163 112 1HA GLY 6 1HA GLY 6 51.472 7.674 -43.488 113 2HA GLY 6 2HA GLY 6 50.081 8.436 -44.233 114 H GLN 7 HN GLN 7 51.101 7.853 -41.298 115 HA GLN 7 HA GLN 7 48.442 7.355 -40.330 116 1HB GLN 7 2HB GLN 7 50.771 5.496 -39.849 117 2HB GLN 7 3HB GLN 7 49.601 5.728 -38.565 118 1HG GLN 7 2HG GLN 7 48.248 4.229 -39.592 119 2HG GLN 7 3HG GLN 7 48.040 5.370 -40.905 120 1HE2 GLN 7 1HE2 GLN 7 47.856 2.773 -41.470 121 2HE2 GLN 7 2HE2 GLN 7 49.224 2.193 -42.362 122 H LYS 8 HN LYS 8 48.146 8.097 -38.096 123 HA LYS 8 HA LYS 8 50.421 9.384 -36.857 124 1HB LYS 8 2HB LYS 8 49.486 11.584 -36.804 125 2HB LYS 8 3HB LYS 8 49.553 11.065 -38.475 126 1HG LYS 8 2HG LYS 8 47.021 10.473 -36.961 127 2HG LYS 8 3HG LYS 8 47.324 12.147 -37.380 128 1HD LYS 8 2HD LYS 8 47.771 11.313 -39.792 129 2HD LYS 8 3HD LYS 8 47.108 9.773 -39.280 130 1HE LYS 8 2HE LYS 8 45.236 10.924 -40.193 131 2HE LYS 8 3HE LYS 8 45.036 11.108 -38.462 132 1HZ LYS 8 1HZ LYS 8 46.541 13.217 -39.076 133 2HZ LYS 8 2HZ LYS 8 45.636 13.089 -40.430 134 3HZ LYS 8 3HZ LYS 8 44.912 13.251 -38.976 135 H GLN 9 HN GLN 9 49.697 10.339 -34.656 136 HA GLN 9 HA GLN 9 47.281 9.191 -33.655 137 1HB GLN 9 2HB GLN 9 49.125 7.363 -33.564 138 2HB GLN 9 3HB GLN 9 49.870 8.336 -32.311 139 1HG GLN 9 2HG GLN 9 48.515 6.897 -31.045 140 2HG GLN 9 3HG GLN 9 47.487 8.309 -31.188 141 1HE2 GLN 9 1HE2 GLN 9 47.326 5.155 -31.149 142 2HE2 GLN 9 2HE2 GLN 9 46.070 4.806 -32.290 143 H ASP 10 HN ASP 10 46.578 10.225 -31.718 144 HA ASP 10 HA ASP 10 48.439 12.070 -30.517 145 1HB ASP 10 2HB ASP 10 46.446 12.896 -32.395 146 2HB ASP 10 3HB ASP 10 45.845 13.369 -30.819 147 H ARG 11 HN ARG 11 48.246 11.518 -28.341 148 HA ARG 11 HA ARG 11 45.635 11.485 -27.203 149 1HB ARG 11 2HB ARG 11 47.127 8.984 -27.747 150 2HB ARG 11 3HB ARG 11 46.685 9.145 -26.059 151 1HG ARG 11 2HG ARG 11 44.447 9.932 -27.770 152 2HG ARG 11 3HG ARG 11 45.008 8.330 -28.207 153 1HD ARG 11 2HD ARG 11 45.029 8.079 -25.482 154 2HD ARG 11 3HD ARG 11 43.757 9.272 -25.649 155 HE ARG 11 HE ARG 11 43.658 6.473 -26.530 156 1HH1 ARG 11 2HH2 ARG 11 42.246 9.676 -26.885 157 2HH1 ARG 11 1HH2 ARG 11 40.734 9.083 -27.490 158 1HH2 ARG 11 2HH1 ARG 11 41.665 5.689 -27.327 159 2HH2 ARG 11 1HH1 ARG 11 40.402 6.800 -27.743 160 H GLN 12 HN GLN 12 46.651 13.384 -26.162 161 HA GLN 12 HA GLN 12 48.327 12.534 -23.948 162 1HB GLN 12 2HB GLN 12 48.937 14.640 -26.004 163 2HB GLN 12 3HB GLN 12 49.383 14.988 -24.345 164 1HG GLN 12 2HG GLN 12 50.130 12.344 -25.654 165 2HG GLN 12 3HG GLN 12 51.129 13.769 -25.857 166 1HE2 GLN 12 1HE2 GLN 12 51.775 14.922 -23.860 167 2HE2 GLN 12 2HE2 GLN 12 52.193 13.994 -22.459 168 H GLY 13 HN GLY 13 47.148 12.942 -22.132 169 1HA GLY 13 1HA GLY 13 45.475 15.384 -22.123 170 2HA GLY 13 2HA GLY 13 45.040 13.881 -21.334 171 H GLY 14 HN GLY 14 44.981 16.003 -19.691 172 1HA GLY 14 1HA GLY 14 47.170 17.059 -18.507 173 2HA GLY 14 2HA GLY 14 45.717 16.600 -17.640 174 H GLU 15 HN GLU 15 45.613 14.581 -16.495 175 HA GLU 15 HA GLU 15 47.685 12.712 -16.667 176 1HB GLU 15 2HB GLU 15 48.774 13.055 -14.493 177 2HB GLU 15 3HB GLU 15 48.971 14.481 -15.494 178 1HG GLU 15 2HG GLU 15 47.868 15.782 -13.994 179 2HG GLU 15 3HG GLU 15 46.496 14.691 -13.966 180 H ARG 16 HN ARG 16 47.228 10.814 -15.361 181 HA ARG 16 HA ARG 16 45.950 9.394 -14.356 182 1HB ARG 16 2HB ARG 16 45.878 11.662 -12.677 183 2HB ARG 16 3HB ARG 16 44.193 11.202 -12.821 184 1HG ARG 16 2HG ARG 16 44.753 8.871 -12.141 185 2HG ARG 16 3HG ARG 16 46.451 9.295 -12.043 186 1HD ARG 16 2HD ARG 16 45.842 11.052 -10.298 187 2HD ARG 16 3HD ARG 16 44.198 10.445 -10.327 188 HE ARG 16 HE ARG 16 46.506 9.159 -9.082 189 1HH1 ARG 16 2HH2 ARG 16 43.334 8.586 -10.495 190 2HH1 ARG 16 1HH2 ARG 16 43.078 7.104 -9.634 191 1HH2 ARG 16 2HH1 ARG 16 46.168 7.205 -7.947 192 2HH2 ARG 16 1HH1 ARG 16 44.701 6.314 -8.176 193 H ARG 17 HN ARG 17 44.607 8.494 -15.927 194 HA ARG 17 HA ARG 17 42.334 10.065 -16.759 195 1HB ARG 17 2HB ARG 17 44.071 8.144 -18.027 196 2HB ARG 17 3HB ARG 17 42.456 7.465 -18.044 197 1HG ARG 17 2HG ARG 17 41.992 8.797 -19.820 198 2HG ARG 17 3HG ARG 17 42.062 10.173 -18.737 199 1HD ARG 17 2HD ARG 17 44.456 10.488 -19.187 200 2HD ARG 17 3HD ARG 17 44.529 8.997 -20.103 201 HE ARG 17 HE ARG 17 42.518 10.723 -21.232 202 1HH1 ARG 17 2HH2 ARG 17 46.009 10.365 -20.989 203 2HH1 ARG 17 1HH2 ARG 17 46.327 11.203 -22.471 204 1HH2 ARG 17 2HH1 ARG 17 42.935 11.827 -23.188 205 2HH2 ARG 17 1HH1 ARG 17 44.567 12.040 -23.730 206 H ARG 18 HN ARG 18 40.157 8.914 -16.948 207 HA ARG 18 HA ARG 18 39.739 7.454 -14.525 208 1HB ARG 18 2HB ARG 18 38.027 8.874 -16.549 209 2HB ARG 18 3HB ARG 18 37.259 7.564 -15.673 210 1HG ARG 18 2HG ARG 18 37.844 8.606 -13.512 211 2HG ARG 18 3HG ARG 18 38.752 9.864 -14.327 212 1HD ARG 18 2HD ARG 18 35.903 9.527 -15.205 213 2HD ARG 18 3HD ARG 18 36.137 10.147 -13.582 214 HE ARG 18 HE ARG 18 37.800 11.477 -15.608 215 1HH1 ARG 18 2HH2 ARG 18 34.702 11.480 -13.938 216 2HH1 ARG 18 1HH2 ARG 18 34.392 13.155 -14.249 217 1HH2 ARG 18 2HH1 ARG 18 37.391 13.686 -16.019 218 2HH2 ARG 18 1HH1 ARG 18 35.932 14.419 -15.441 219 H SER 19 HN SER 19 41.299 5.862 -16.122 220 HA SER 19 HA SER 19 41.452 4.020 -17.288 221 1HB SER 19 2HB SER 19 39.854 2.172 -16.536 222 2HB SER 19 3HB SER 19 40.735 2.984 -15.257 223 HG SER 19 HG SER 19 38.012 3.560 -16.067 224 H GLN 20 HN GLN 20 40.620 5.687 -19.117 225 HA GLN 20 HA GLN 20 39.272 6.163 -20.794 226 1HB GLN 20 2HB GLN 20 40.546 3.777 -21.175 227 2HB GLN 20 3HB GLN 20 38.890 3.269 -21.432 228 1HG GLN 20 2HG GLN 20 38.815 4.279 -23.466 229 2HG GLN 20 3HG GLN 20 39.357 5.805 -22.794 230 1HE2 GLN 20 1HE2 GLN 20 40.071 4.735 -25.310 231 2HE2 GLN 20 2HE2 GLN 20 41.781 4.462 -25.347 232 H LEU 21 HN LEU 21 37.730 6.192 -18.455 233 HA LEU 21 HA LEU 21 35.333 4.664 -19.090 234 1HB LEU 21 2HB LEU 21 36.288 4.622 -16.808 235 2HB LEU 21 3HB LEU 21 36.009 6.348 -16.675 236 HG LEU 21 HG LEU 21 34.297 4.381 -15.835 237 1HD1 LEU 21 1HD1 LEU 21 32.579 6.439 -16.052 238 2HD1 LEU 21 2HD1 LEU 21 33.878 6.366 -14.839 239 3HD1 LEU 21 3HD1 LEU 21 34.111 7.299 -16.336 240 1HD2 LEU 21 1HD2 LEU 21 32.331 4.401 -17.271 241 2HD2 LEU 21 2HD2 LEU 21 33.188 5.410 -18.461 242 3HD2 LEU 21 3HD2 LEU 21 33.741 3.749 -18.142 243 H ASP 22 HN ASP 22 34.223 5.632 -20.743 244 HA ASP 22 HA ASP 22 34.161 8.469 -20.902 245 1HB ASP 22 2HB ASP 22 32.485 6.420 -22.424 246 2HB ASP 22 3HB ASP 22 32.756 8.087 -22.892 247 H ARG 23 HN ARG 23 31.847 9.540 -21.218 248 HA ARG 23 HA ARG 23 30.423 9.067 -18.861 249 1HB ARG 23 2HB ARG 23 30.186 10.888 -21.240 250 2HB ARG 23 3HB ARG 23 28.721 10.650 -20.306 251 1HG ARG 23 2HG ARG 23 31.410 11.622 -19.230 252 2HG ARG 23 3HG ARG 23 29.964 12.591 -19.435 253 1HD ARG 23 2HD ARG 23 29.099 10.400 -17.875 254 2HD ARG 23 3HD ARG 23 30.687 10.776 -17.236 255 HE ARG 23 HE ARG 23 29.420 13.260 -17.515 256 1HH1 ARG 23 2HH2 ARG 23 28.774 10.271 -15.774 257 2HH1 ARG 23 1HH2 ARG 23 27.920 11.055 -14.487 258 1HH2 ARG 23 2HH1 ARG 23 28.292 14.295 -15.818 259 2HH2 ARG 23 1HH1 ARG 23 27.644 13.359 -14.512 260 H ASP 24 HN ASP 24 30.513 7.301 -21.703 261 HA ASP 24 HA ASP 24 27.779 6.401 -21.269 262 1HB ASP 24 2HB ASP 24 27.896 5.771 -23.802 263 2HB ASP 24 3HB ASP 24 27.583 7.440 -23.373 264 H GLN 25 HN GLN 25 30.636 5.591 -20.374 265 HA GLN 25 HA GLN 25 30.620 2.926 -21.562 266 1HB GLN 25 2HB GLN 25 32.673 4.509 -21.889 267 2HB GLN 25 3HB GLN 25 33.026 4.185 -20.204 268 1HG GLN 25 2HG GLN 25 33.154 1.764 -20.638 269 2HG GLN 25 3HG GLN 25 32.629 1.994 -22.294 270 1HE2 GLN 25 1HE2 GLN 25 33.964 3.496 -23.628 271 2HE2 GLN 25 2HE2 GLN 25 35.688 3.424 -23.471 272 H CYS 26 HN CYS 26 31.042 1.099 -20.115 273 HA CYS 26 HA CYS 26 29.846 1.528 -17.563 274 1HB CYS 26 2HB CYS 26 29.320 -0.477 -18.864 275 2HB CYS 26 3HB CYS 26 31.000 -0.978 -18.833 276 H ALA 27 HN ALA 27 30.916 1.761 -15.599 277 HA ALA 27 HA ALA 27 33.837 1.736 -15.737 278 1HB ALA 27 1HB ALA 27 32.460 3.773 -14.982 279 2HB ALA 27 2HB ALA 27 32.087 2.835 -13.516 280 3HB ALA 27 3HB ALA 27 33.774 3.247 -13.901 281 H TYR 28 HN TYR 28 32.267 -0.758 -15.694 282 HA TYR 28 HA TYR 28 33.192 -1.755 -13.085 283 1HB TYR 28 2HB TYR 28 30.604 -1.465 -13.616 284 2HB TYR 28 3HB TYR 28 30.826 -2.771 -14.762 285 HD1 TYR 28 HD1 TYR 28 30.833 -1.877 -11.177 286 HD2 TYR 28 HD2 TYR 28 31.101 -5.060 -14.023 287 HE1 TYR 28 HE1 TYR 28 30.480 -3.576 -9.320 288 HE2 TYR 28 HE2 TYR 28 30.747 -6.748 -12.156 289 HH TYR 28 HH TYR 28 30.995 -6.928 -9.823 290 H CYS 29 HN CYS 29 31.977 -2.946 -16.305 291 HA CYS 29 HA CYS 29 33.976 -5.039 -16.164 292 1HB CYS 29 2HB CYS 29 32.797 -5.990 -18.114 293 2HB CYS 29 3HB CYS 29 31.731 -5.743 -16.746 294 H LYS 30 HN LYS 30 33.165 -1.981 -17.773 295 HA LYS 30 HA LYS 30 34.696 -0.632 -18.787 296 1HB LYS 30 2HB LYS 30 36.470 -2.437 -18.065 297 2HB LYS 30 3HB LYS 30 36.366 -2.942 -19.740 298 1HG LYS 30 2HG LYS 30 37.518 -1.117 -20.474 299 2HG LYS 30 3HG LYS 30 36.547 -0.015 -19.517 300 1HD LYS 30 2HD LYS 30 38.752 -1.749 -18.313 301 2HD LYS 30 3HD LYS 30 39.041 -0.127 -18.910 302 1HE LYS 30 2HE LYS 30 38.401 0.654 -16.876 303 2HE LYS 30 3HE LYS 30 36.766 0.156 -17.264 304 1HZ LYS 30 1HZ LYS 30 37.497 -2.097 -16.443 305 2HZ LYS 30 2HZ LYS 30 38.798 -1.350 -15.796 306 3HZ LYS 30 3HZ LYS 30 37.294 -0.937 -15.312 307 H GLU 31 HN GLU 31 32.249 -2.128 -19.654 308 HA GLU 31 HA GLU 31 32.813 -2.308 -22.500 309 1HB GLU 31 2HB GLU 31 30.544 -3.363 -20.772 310 2HB GLU 31 3HB GLU 31 30.428 -3.331 -22.520 311 1HG GLU 31 2HG GLU 31 32.861 -4.505 -22.314 312 2HG GLU 31 3HG GLU 31 32.211 -4.999 -20.763 313 H LYS 32 HN LYS 32 31.941 -0.847 -23.961 314 HA LYS 32 HA LYS 32 30.592 1.430 -22.786 315 1HB LYS 32 2HB LYS 32 31.083 2.547 -24.858 316 2HB LYS 32 3HB LYS 32 32.529 1.728 -24.301 317 1HG LYS 32 2HG LYS 32 30.852 0.014 -26.031 318 2HG LYS 32 3HG LYS 32 31.376 1.478 -26.841 319 1HD LYS 32 2HD LYS 32 33.621 0.890 -26.773 320 2HD LYS 32 3HD LYS 32 33.470 0.039 -25.248 321 1HE LYS 32 2HE LYS 32 31.863 -1.431 -27.075 322 2HE LYS 32 3HE LYS 32 33.310 -1.019 -27.973 323 1HZ LYS 32 1HZ LYS 32 33.621 -3.040 -26.768 324 2HZ LYS 32 2HZ LYS 32 34.608 -1.903 -26.134 325 3HZ LYS 32 3HZ LYS 32 33.243 -2.332 -25.345 326 H GLY 33 HN GLY 33 28.488 2.097 -23.265 327 1HA GLY 33 1HA GLY 33 26.647 1.827 -24.912 328 2HA GLY 33 2HA GLY 33 26.873 0.099 -24.733 329 H HIS 34 HN HIS 34 27.412 0.032 -21.872 330 HA HIS 34 HA HIS 34 24.835 0.982 -20.853 331 1HB HIS 34 2HB HIS 34 24.537 -1.040 -19.626 332 2HB HIS 34 3HB HIS 34 24.837 -1.463 -21.300 333 HD1 HIS 34 HD1 HIS 34 26.891 -2.900 -21.826 334 HD2 HIS 34 HD2 HIS 34 26.728 -1.631 -17.832 335 HE1 HIS 34 HE1 HIS 34 28.701 -4.204 -20.587 336 H TRP 35 HN TRP 35 24.823 1.279 -18.433 337 HA TRP 35 HA TRP 35 27.392 2.413 -17.648 338 1HB TRP 35 2HB TRP 35 24.547 2.937 -17.016 339 2HB TRP 35 3HB TRP 35 25.678 3.138 -15.691 340 HD1 TRP 35 HD1 TRP 35 26.033 4.202 -19.448 341 HE1 TRP 35 HE1 TRP 35 26.701 6.748 -19.621 342 HE3 TRP 35 HE3 TRP 35 25.961 5.101 -14.444 343 HZ2 TRP 35 HZ2 TRP 35 27.115 8.808 -17.689 344 HZ3 TRP 35 HZ3 TRP 35 26.510 7.406 -13.671 345 HH2 TRP 35 HH2 TRP 35 27.073 9.226 -15.202 346 H ALA 36 HN ALA 36 28.069 2.040 -15.312 347 HA ALA 36 HA ALA 36 28.287 -0.691 -14.811 348 1HB ALA 36 1HB ALA 36 29.930 0.923 -14.037 349 2HB ALA 36 2HB ALA 36 28.709 1.746 -13.037 350 3HB ALA 36 3HB ALA 36 29.235 0.096 -12.625 351 H LYS 37 HN LYS 37 25.936 1.782 -13.760 352 HA LYS 37 HA LYS 37 24.807 0.228 -11.693 353 1HB LYS 37 2HB LYS 37 23.985 2.682 -13.228 354 2HB LYS 37 3HB LYS 37 22.843 1.897 -12.155 355 1HG LYS 37 2HG LYS 37 23.813 2.982 -10.417 356 2HG LYS 37 3HG LYS 37 25.250 2.010 -10.667 357 1HD LYS 37 2HD LYS 37 25.861 3.767 -12.520 358 2HD LYS 37 3HD LYS 37 24.643 4.777 -11.768 359 1HE LYS 37 2HE LYS 37 26.677 5.404 -10.690 360 2HE LYS 37 3HE LYS 37 25.874 4.365 -9.530 361 1HZ LYS 37 1HZ LYS 37 28.259 3.884 -11.044 362 2HZ LYS 37 2HZ LYS 37 27.825 3.318 -9.575 363 3HZ LYS 37 3HZ LYS 37 27.259 2.598 -10.928 364 H ASP 38 HN ASP 38 24.900 -0.221 -15.056 365 HA ASP 38 HA ASP 38 22.539 -1.911 -14.839 366 1HB ASP 38 2HB ASP 38 22.656 0.336 -16.427 367 2HB ASP 38 3HB ASP 38 23.271 -0.865 -17.543 368 H CYS 39 HN CYS 39 25.563 -2.288 -14.520 369 HA CYS 39 HA CYS 39 26.572 -3.495 -16.836 370 1HB CYS 39 2HB CYS 39 27.955 -2.624 -14.946 371 2HB CYS 39 3HB CYS 39 27.416 -3.967 -13.959 372 HA PRO 40 HA PRO 40 24.371 -7.263 -16.500 373 1HB PRO 40 2HB PRO 40 25.595 -8.641 -18.518 374 2HB PRO 40 3HB PRO 40 24.289 -7.505 -18.788 375 1HG PRO 40 2HG PRO 40 27.179 -7.163 -19.308 376 2HG PRO 40 3HG PRO 40 25.832 -6.242 -19.947 377 1HD PRO 40 2HD PRO 40 27.629 -5.435 -17.861 378 2HD PRO 40 3HD PRO 40 26.214 -4.565 -18.420 379 H LYS 41 HN LYS 41 27.391 -6.709 -15.466 380 HA LYS 41 HA LYS 41 27.908 -9.520 -14.882 381 1HB LYS 41 2HB LYS 41 29.542 -7.249 -15.476 382 2HB LYS 41 3HB LYS 41 29.928 -7.778 -13.851 383 1HG LYS 41 2HG LYS 41 29.843 -10.211 -15.021 384 2HG LYS 41 3HG LYS 41 30.209 -9.270 -16.453 385 1HD LYS 41 2HD LYS 41 32.387 -9.285 -15.822 386 2HD LYS 41 3HD LYS 41 31.952 -8.228 -14.494 387 1HE LYS 41 2HE LYS 41 33.057 -10.112 -13.492 388 2HE LYS 41 3HE LYS 41 31.353 -10.324 -13.143 389 1HZ LYS 41 1HZ LYS 41 31.498 -12.256 -14.153 390 2HZ LYS 41 2HZ LYS 41 31.812 -11.516 -15.575 391 3HZ LYS 41 3HZ LYS 41 33.043 -11.991 -14.612 392 H LYS 42 HN LYS 42 26.571 -6.608 -13.520 393 HA LYS 42 HA LYS 42 27.176 -7.139 -10.816 394 1HB LYS 42 2HB LYS 42 25.667 -5.193 -12.369 395 2HB LYS 42 3HB LYS 42 24.807 -5.643 -10.911 396 1HG LYS 42 2HG LYS 42 27.329 -5.382 -9.883 397 2HG LYS 42 3HG LYS 42 27.439 -4.242 -11.209 398 1HD LYS 42 2HD LYS 42 24.926 -4.055 -9.611 399 2HD LYS 42 3HD LYS 42 26.386 -3.649 -8.731 400 1HE LYS 42 2HE LYS 42 26.796 -2.313 -11.132 401 2HE LYS 42 3HE LYS 42 25.057 -2.192 -10.955 402 1HZ LYS 42 1HZ LYS 42 26.729 -0.553 -9.781 403 2HZ LYS 42 2HZ LYS 42 25.267 -0.909 -9.147 404 3HZ LYS 42 3HZ LYS 42 26.605 -1.658 -8.585 405 HA PRO 43 HA PRO 43 24.376 -10.492 -10.486 406 1HB PRO 43 2HB PRO 43 25.230 -11.384 -8.048 407 2HB PRO 43 3HB PRO 43 25.964 -11.879 -9.561 408 1HG PRO 43 2HG PRO 43 26.986 -9.982 -7.537 409 2HG PRO 43 3HG PRO 43 27.863 -10.803 -8.813 410 1HD PRO 43 2HD PRO 43 27.028 -8.058 -8.795 411 2HD PRO 43 3HD PRO 43 27.801 -8.911 -10.117 412 H ARG 44 HN ARG 44 22.817 -8.589 -10.475 413 HA ARG 44 HA ARG 44 22.053 -7.773 -7.889 414 1HB ARG 44 2HB ARG 44 21.519 -6.993 -10.587 415 2HB ARG 44 3HB ARG 44 19.959 -7.397 -9.897 416 1HG ARG 44 2HG ARG 44 20.785 -5.944 -7.839 417 2HG ARG 44 3HG ARG 44 21.942 -5.292 -8.982 418 1HD ARG 44 2HD ARG 44 20.307 -4.219 -10.252 419 2HD ARG 44 3HD ARG 44 19.085 -5.427 -9.907 420 HE ARG 44 HE ARG 44 19.655 -3.034 -8.336 421 1HH1 ARG 44 2HH2 ARG 44 18.353 -6.300 -8.184 422 2HH1 ARG 44 1HH2 ARG 44 17.372 -5.981 -6.793 423 1HH2 ARG 44 2HH1 ARG 44 18.361 -2.612 -6.501 424 2HH2 ARG 44 1HH1 ARG 44 17.377 -3.869 -5.829 425 H GLY 45 HN GLY 45 20.431 -8.606 -6.545 426 1HA GLY 45 1HA GLY 45 18.150 -9.845 -6.987 427 2HA GLY 45 2HA GLY 45 19.254 -11.150 -7.374 428 HA PRO 46 HA PRO 46 17.847 -12.318 -6.549 429 1HB PRO 46 2HB PRO 46 15.912 -13.447 -4.982 430 2HB PRO 46 3HB PRO 46 17.455 -14.213 -5.301 431 1HG PRO 46 2HG PRO 46 16.530 -12.860 -2.841 432 2HG PRO 46 3HG PRO 46 17.862 -13.981 -3.043 433 1HD PRO 46 2HD PRO 46 18.044 -11.133 -2.758 434 2HD PRO 46 3HD PRO 46 19.364 -12.240 -3.075 435 H ARG 47 HN ARG 47 15.998 -10.762 -3.965 436 HA ARG 47 HA ARG 47 13.837 -10.199 -5.543 437 1HB ARG 47 2HB ARG 47 14.894 -9.367 -2.926 438 2HB ARG 47 3HB ARG 47 14.041 -8.049 -3.705 439 1HG ARG 47 2HG ARG 47 11.990 -9.148 -3.655 440 2HG ARG 47 3HG ARG 47 12.711 -10.739 -3.803 441 1HD ARG 47 2HD ARG 47 13.163 -10.909 -1.500 442 2HD ARG 47 3HD ARG 47 13.249 -9.173 -1.278 443 HE ARG 47 HE ARG 47 10.817 -10.825 -1.259 444 1HH1 ARG 47 2HH2 ARG 47 12.120 -7.571 -1.575 445 2HH1 ARG 47 1HH2 ARG 47 10.636 -6.796 -1.130 446 1HH2 ARG 47 2HH1 ARG 47 8.860 -9.803 -0.671 447 2HH2 ARG 47 1HH1 ARG 47 8.769 -8.075 -0.612 448 H GLY 48 HN GLY 48 13.169 -8.272 -6.707 449 1HA GLY 48 1HA GLY 48 14.887 -6.006 -6.960 450 2HA GLY 48 2HA GLY 48 15.036 -7.079 -8.337 451 HA PRO 49 HA PRO 49 11.493 -4.584 -9.414 452 1HB PRO 49 2HB PRO 49 12.005 -4.457 -12.095 453 2HB PRO 49 3HB PRO 49 12.598 -3.272 -10.949 454 1HG PRO 49 2HG PRO 49 14.078 -5.442 -12.305 455 2HG PRO 49 3HG PRO 49 14.710 -4.014 -11.508 456 1HD PRO 49 2HD PRO 49 14.695 -6.690 -10.475 457 2HD PRO 49 3HD PRO 49 15.219 -5.244 -9.634 458 H ARG 50 HN ARG 50 10.844 -6.947 -8.594 459 HA ARG 50 HA ARG 50 9.076 -7.755 -10.684 460 1HB ARG 50 2HB ARG 50 11.518 -9.229 -10.159 461 2HB ARG 50 3HB ARG 50 10.163 -10.221 -9.658 462 1HG ARG 50 2HG ARG 50 9.151 -10.138 -11.845 463 2HG ARG 50 3HG ARG 50 10.182 -8.816 -12.359 464 1HD ARG 50 2HD ARG 50 11.990 -10.854 -11.586 465 2HD ARG 50 3HD ARG 50 10.706 -11.706 -12.420 466 HE ARG 50 HE ARG 50 11.579 -9.297 -13.836 467 1HH1 ARG 50 2HH2 ARG 50 12.214 -12.721 -13.333 468 2HH1 ARG 50 1HH2 ARG 50 13.031 -12.923 -14.848 469 1HH2 ARG 50 2HH1 ARG 50 12.656 -9.563 -15.835 470 2HH2 ARG 50 1HH1 ARG 50 13.283 -11.115 -16.279 471 HA PRO 51 HA PRO 51 6.701 -8.565 -7.115 472 1HB PRO 51 2HB PRO 51 4.667 -10.063 -8.157 473 2HB PRO 51 3HB PRO 51 4.727 -8.315 -8.275 474 1HG PRO 51 2HG PRO 51 5.263 -10.334 -10.368 475 2HG PRO 51 3HG PRO 51 4.903 -8.628 -10.553 476 1HD PRO 51 2HD PRO 51 7.476 -9.875 -10.788 477 2HD PRO 51 3HD PRO 51 7.133 -8.158 -10.858 478 H GLN 52 HN GLN 52 6.046 -10.080 -5.482 479 HA GLN 52 HA GLN 52 7.650 -12.478 -5.826 480 1HB GLN 52 2HB GLN 52 7.538 -12.647 -3.344 481 2HB GLN 52 3HB GLN 52 8.224 -11.124 -3.871 482 1HG GLN 52 2HG GLN 52 6.519 -9.908 -2.961 483 2HG GLN 52 3HG GLN 52 5.290 -10.973 -3.614 484 1HE2 GLN 52 1HE2 GLN 52 4.756 -10.058 -1.242 485 2HE2 GLN 52 2HE2 GLN 52 4.992 -11.216 0.025 486 H THR 53 HN THR 53 5.777 -13.202 -7.309 487 HA THR 53 HA THR 53 3.217 -13.668 -6.430 488 HB THR 53 HB THR 53 4.192 -13.940 -8.768 489 HG1 THR 53 HG1 THR 53 2.841 -15.997 -9.016 490 1HG2 THR 53 1HG2 THR 53 5.980 -15.709 -7.608 491 2HG2 THR 53 2HG2 THR 53 4.724 -16.821 -8.205 492 3HG2 THR 53 3HG2 THR 53 5.550 -15.720 -9.335 493 H SER 54 HN SER 54 2.099 -15.344 -5.413 494 HA SER 54 HA SER 54 3.717 -17.439 -4.274 495 1HB SER 54 2HB SER 54 2.549 -15.187 -2.733 496 2HB SER 54 3HB SER 54 2.153 -16.766 -2.088 497 HG SER 54 HG SER 54 4.479 -15.401 -1.855 498 H LEU 55 HN LEU 55 2.245 -19.142 -3.188 499 HA LEU 55 HA LEU 55 -0.019 -19.537 -4.909 500 1HB LEU 55 2HB LEU 55 1.811 -21.193 -3.838 501 2HB LEU 55 3HB LEU 55 0.542 -21.364 -2.641 502 HG LEU 55 HG LEU 55 -0.773 -21.600 -5.111 503 1HD1 LEU 55 1HD1 LEU 55 1.386 -23.627 -5.292 504 2HD1 LEU 55 2HD1 LEU 55 0.444 -22.822 -6.571 505 3HD1 LEU 55 3HD1 LEU 55 1.801 -21.970 -5.794 506 1HD2 LEU 55 1HD2 LEU 55 0.157 -23.822 -3.271 507 2HD2 LEU 55 2HD2 LEU 55 -1.257 -22.779 -2.983 508 3HD2 LEU 55 3HD2 LEU 55 -1.222 -23.860 -4.397 509 H LEU 56 HN LEU 56 -2.014 -20.653 -3.554 510 HA LEU 56 HA LEU 56 -3.289 -18.493 -2.355 511 1HB LEU 56 2HB LEU 56 -4.129 -20.732 -3.459 512 2HB LEU 56 3HB LEU 56 -4.116 -21.313 -1.806 513 HG LEU 56 HG LEU 56 -6.330 -20.539 -2.443 514 1HD1 LEU 56 1HD1 LEU 56 -5.643 -20.317 -0.102 515 2HD1 LEU 56 2HD1 LEU 56 -5.043 -18.673 -0.429 516 3HD1 LEU 56 3HD1 LEU 56 -6.781 -19.032 -0.577 517 1HD2 LEU 56 1HD2 LEU 56 -5.811 -17.679 -2.525 518 2HD2 LEU 56 2HD2 LEU 56 -4.988 -18.545 -3.845 519 3HD2 LEU 56 3HD2 LEU 56 -6.748 -18.708 -3.634 Start of MODEL 17 1 1H5* C 504 1H5* C 504 37.643 -7.515 -1.498 2 2H5* C 504 2H5* C 504 37.106 -6.601 -2.907 3 H4* C 504 H4* C 504 38.807 -8.687 -3.015 4 H3* C 504 H3* C 504 36.796 -7.921 -5.163 5 H2* C 504 H2* C 504 38.030 -9.346 -6.559 6 2HO* C 504 2HO* C 504 40.022 -9.290 -4.483 7 H1* C 504 H1* C 504 38.461 -11.378 -4.829 8 1H4 C 504 1H4 C 504 32.544 -12.749 -6.732 9 2H4 C 504 2H4 C 504 31.908 -11.423 -5.783 10 H5 C 504 H5 C 504 33.255 -9.912 -4.567 11 H6 C 504 H6 C 504 35.566 -9.294 -3.955 12 1H5* C 505 1H5* C 505 40.031 -7.408 -7.189 13 2H5* C 505 2H5* C 505 40.011 -5.993 -8.239 14 H4* C 505 H4* C 505 40.193 -7.960 -9.590 15 H3* C 505 H3* C 505 37.602 -6.472 -9.770 16 H2* C 505 H2* C 505 36.770 -8.005 -11.378 17 2HO* C 505 2HO* C 505 38.893 -8.154 -12.353 18 H1* C 505 H1* C 505 37.585 -10.254 -9.875 19 1H4 C 505 1H4 C 505 31.378 -9.527 -8.541 20 2H4 C 505 2H4 C 505 31.796 -8.333 -7.333 21 H5 C 505 H5 C 505 33.989 -7.528 -6.983 22 H6 C 505 H6 C 505 36.343 -7.673 -7.712 23 1H5* U 506 1H5* U 506 39.320 -2.512 -9.687 24 2H5* U 506 2H5* U 506 38.104 -2.886 -8.467 25 H4* U 506 H4* U 506 37.327 -1.802 -10.648 26 H3* U 506 H3* U 506 36.025 -4.284 -9.510 27 H2* U 506 H2* U 506 34.373 -4.106 -11.155 28 2HO* U 506 2HO* U 506 33.781 -2.010 -11.171 29 H1* U 506 H1* U 506 36.325 -3.034 -13.058 30 H3 U 506 H3 U 506 36.286 -6.596 -15.797 31 H5 U 506 H5 U 506 34.557 -8.094 -12.290 32 H6 U 506 H6 U 506 35.052 -5.933 -11.241 33 1H5* C 507 1H5* C 507 34.532 -0.057 -10.369 34 2H5* C 507 2H5* C 507 34.076 0.269 -8.696 35 H4* C 507 H4* C 507 33.031 1.492 -10.915 36 H3* C 507 H3* C 507 32.155 1.300 -8.066 37 H2* C 507 H2* C 507 30.065 2.312 -8.559 38 2HO* C 507 2HO* C 507 31.134 2.527 -11.225 39 H1* C 507 H1* C 507 29.540 0.645 -10.736 40 1H4 C 507 1H4 C 507 26.784 -2.072 -5.618 41 2H4 C 507 2H4 C 507 28.195 -3.097 -5.479 42 H5 C 507 H5 C 507 30.144 -2.837 -6.788 43 H6 C 507 H6 C 507 31.229 -1.516 -8.570 44 1H5* C 508 1H5* C 508 36.075 4.710 -6.975 45 2H5* C 508 2H5* C 508 34.433 5.142 -6.499 46 H4* C 508 H4* C 508 35.344 7.219 -6.673 47 H3* C 508 H3* C 508 33.958 6.532 -9.162 48 H2* C 508 H2* C 508 34.989 8.133 -10.533 49 2HO* C 508 2HO* C 508 34.783 9.674 -8.751 50 H1* C 508 H1* C 508 37.558 7.681 -9.886 51 1H4 C 508 1H4 C 508 36.598 1.741 -12.418 52 2H4 C 508 2H4 C 508 35.619 2.644 -13.553 53 H5 C 508 H5 C 508 35.071 4.926 -13.294 54 H6 C 508 H6 C 508 35.328 6.924 -11.866 55 1H5* G 509 1H5* G 509 33.057 9.631 -10.088 56 2H5* G 509 2H5* G 509 31.781 10.393 -9.138 57 H4* G 509 H4* G 509 31.362 11.042 -11.343 58 H3* G 509 H3* G 509 29.545 8.782 -10.529 59 H2* G 509 H2* G 509 28.401 8.987 -12.599 60 2HO* G 509 2HO* G 509 30.151 11.246 -12.971 61 H1* G 509 H1* G 509 30.789 9.105 -14.090 62 H8 G 509 H8 G 509 29.956 6.768 -11.154 63 H1 G 509 H1 G 509 29.981 4.016 -17.011 64 1H2 G 509 1H2 G 509 30.391 5.444 -18.441 65 2H2 G 509 2H2 G 509 30.685 7.135 -18.104 66 1H5* U 510 1H5* U 510 27.599 13.444 -10.994 67 2H5* U 510 2H5* U 510 27.295 13.148 -9.282 68 H4* U 510 H4* U 510 25.666 14.693 -9.897 69 H3* U 510 H3* U 510 24.484 11.917 -9.909 70 H2* U 510 H2* U 510 22.354 12.870 -10.305 71 2HO* U 510 2HO* U 510 22.489 15.385 -10.276 72 H1* U 510 H1* U 510 23.452 14.711 -12.218 73 H3 U 510 H3 U 510 20.349 12.309 -14.541 74 H5 U 510 H5 U 510 23.623 9.724 -14.169 75 H6 U 510 H6 U 510 24.624 11.369 -12.652 76 1H ALA 1 HN ALA 1 16.419 46.050 -27.846 77 HA ALA 1 HA ALA 1 16.776 47.176 -25.348 78 1HB ALA 1 1HB ALA 1 14.005 46.479 -25.941 79 2HB ALA 1 2HB ALA 1 14.629 45.546 -24.559 80 3HB ALA 1 3HB ALA 1 14.683 47.325 -24.531 81 H THR 2 HN THR 2 17.879 45.710 -24.009 82 HA THR 2 HA THR 2 17.685 42.913 -24.322 83 HB THR 2 HB THR 2 18.840 43.510 -26.494 84 HG1 THR 2 HG1 THR 2 20.574 41.948 -25.981 85 1HG2 THR 2 1HG2 THR 2 21.023 44.454 -24.560 86 2HG2 THR 2 2HG2 THR 2 21.271 44.153 -26.296 87 3HG2 THR 2 3HG2 THR 2 20.189 45.462 -25.766 88 H VAL 3 HN VAL 3 18.659 41.830 -22.632 89 HA VAL 3 HA VAL 3 20.353 43.474 -20.897 90 HB VAL 3 HB VAL 3 19.143 42.549 -18.952 91 1HG1 VAL 3 1HG1 VAL 3 17.053 43.955 -19.265 92 2HG1 VAL 3 2HG1 VAL 3 18.599 44.782 -19.572 93 3HG1 VAL 3 3HG1 VAL 3 17.595 44.236 -20.937 94 1HG2 VAL 3 1HG2 VAL 3 17.647 40.908 -19.145 95 2HG2 VAL 3 2HG2 VAL 3 16.651 41.900 -20.237 96 3HG2 VAL 3 3HG2 VAL 3 17.945 40.871 -20.900 97 H VAL 4 HN VAL 4 21.817 42.221 -19.545 98 HA VAL 4 HA VAL 4 21.940 39.381 -20.088 99 HB VAL 4 HB VAL 4 24.273 39.493 -20.824 100 1HG1 VAL 4 1HG1 VAL 4 22.311 39.450 -22.431 101 2HG1 VAL 4 2HG1 VAL 4 22.558 41.200 -22.648 102 3HG1 VAL 4 3HG1 VAL 4 23.845 40.057 -23.100 103 1HG2 VAL 4 1HG2 VAL 4 24.589 42.100 -21.783 104 2HG2 VAL 4 2HG2 VAL 4 23.965 42.303 -20.128 105 3HG2 VAL 4 3HG2 VAL 4 25.444 41.353 -20.412 106 H SER 5 HN SER 5 22.254 38.423 -18.151 107 HA SER 5 HA SER 5 24.270 39.337 -16.425 108 1HB SER 5 2HB SER 5 21.877 40.716 -16.091 109 2HB SER 5 3HB SER 5 21.732 39.437 -14.902 110 HG SER 5 HG SER 5 22.791 41.158 -13.890 111 H GLY 6 HN GLY 6 24.877 37.645 -15.020 112 1HA GLY 6 1HA GLY 6 23.105 35.597 -14.185 113 2HA GLY 6 2HA GLY 6 24.021 35.063 -15.581 114 H GLN 7 HN GLN 7 24.690 33.511 -13.649 115 HA GLN 7 HA GLN 7 26.922 34.757 -12.254 116 1HB GLN 7 2HB GLN 7 24.826 33.063 -11.340 117 2HB GLN 7 3HB GLN 7 26.276 32.077 -11.310 118 1HG GLN 7 2HG GLN 7 26.090 33.221 -9.166 119 2HG GLN 7 3HG GLN 7 27.458 33.897 -10.029 120 1HE2 GLN 7 1HE2 GLN 7 26.395 35.302 -8.015 121 2HE2 GLN 7 2HE2 GLN 7 25.534 36.696 -8.575 122 H LYS 8 HN LYS 8 28.882 33.269 -11.918 123 HA LYS 8 HA LYS 8 29.160 31.205 -13.920 124 1HB LYS 8 2HB LYS 8 30.122 33.896 -14.375 125 2HB LYS 8 3HB LYS 8 31.474 32.786 -14.276 126 1HG LYS 8 2HG LYS 8 30.298 31.271 -15.929 127 2HG LYS 8 3HG LYS 8 29.024 32.466 -16.075 128 1HD LYS 8 2HD LYS 8 31.733 33.612 -16.430 129 2HD LYS 8 3HD LYS 8 31.353 32.377 -17.613 130 1HE LYS 8 2HE LYS 8 29.117 33.609 -17.999 131 2HE LYS 8 3HE LYS 8 29.765 34.914 -17.026 132 1HZ LYS 8 1HZ LYS 8 30.485 35.550 -19.041 133 2HZ LYS 8 2HZ LYS 8 31.753 34.586 -18.684 134 3HZ LYS 8 3HZ LYS 8 30.562 34.039 -19.657 135 H GLN 9 HN GLN 9 29.599 29.629 -12.425 136 HA GLN 9 HA GLN 9 31.692 30.275 -10.506 137 1HB GLN 9 2HB GLN 9 29.435 29.536 -9.625 138 2HB GLN 9 3HB GLN 9 29.681 27.985 -10.404 139 1HG GLN 9 2HG GLN 9 30.642 27.380 -8.418 140 2HG GLN 9 3HG GLN 9 32.052 28.220 -9.033 141 1HE2 GLN 9 1HE2 GLN 9 32.501 28.432 -6.729 142 2HE2 GLN 9 2HE2 GLN 9 31.855 29.776 -5.848 143 H ASP 10 HN ASP 10 33.675 29.310 -10.722 144 HA ASP 10 HA ASP 10 33.768 27.049 -12.562 145 1HB ASP 10 2HB ASP 10 34.978 28.873 -13.549 146 2HB ASP 10 3HB ASP 10 35.707 29.327 -12.022 147 H ARG 11 HN ARG 11 34.611 25.136 -11.674 148 HA ARG 11 HA ARG 11 35.707 25.393 -9.000 149 1HB ARG 11 2HB ARG 11 33.760 23.653 -10.117 150 2HB ARG 11 3HB ARG 11 35.174 22.643 -9.892 151 1HG ARG 11 2HG ARG 11 35.067 24.152 -7.520 152 2HG ARG 11 3HG ARG 11 33.381 23.827 -7.871 153 1HD ARG 11 2HD ARG 11 35.551 21.674 -7.816 154 2HD ARG 11 3HD ARG 11 34.506 22.041 -6.459 155 HE ARG 11 HE ARG 11 33.737 20.661 -8.945 156 1HH1 ARG 11 2HH2 ARG 11 32.608 22.333 -6.061 157 2HH1 ARG 11 1HH2 ARG 11 31.028 21.625 -6.114 158 1HH2 ARG 11 2HH1 ARG 11 31.653 19.728 -9.015 159 2HH2 ARG 11 1HH1 ARG 11 30.481 20.133 -7.805 160 H GLN 12 HN GLN 12 37.941 25.500 -9.056 161 HA GLN 12 HA GLN 12 39.544 24.861 -11.098 162 1HB GLN 12 2HB GLN 12 41.364 24.571 -9.345 163 2HB GLN 12 3HB GLN 12 40.425 26.043 -9.204 164 1HG GLN 12 2HG GLN 12 39.503 25.422 -7.197 165 2HG GLN 12 3HG GLN 12 39.258 23.763 -7.707 166 1HE2 GLN 12 1HE2 GLN 12 41.300 26.015 -6.106 167 2HE2 GLN 12 2HE2 GLN 12 42.529 24.927 -5.554 168 H GLY 13 HN GLY 13 40.459 23.033 -12.024 169 1HA GLY 13 1HA GLY 13 41.199 20.838 -12.052 170 2HA GLY 13 2HA GLY 13 40.295 20.491 -10.591 171 H GLY 14 HN GLY 14 39.722 18.527 -12.030 172 1HA GLY 14 1HA GLY 14 37.068 18.950 -13.065 173 2HA GLY 14 2HA GLY 14 38.241 18.560 -14.306 174 H GLU 15 HN GLU 15 38.862 16.434 -14.617 175 HA GLU 15 HA GLU 15 37.417 14.486 -13.183 176 1HB GLU 15 2HB GLU 15 38.570 12.879 -14.657 177 2HB GLU 15 3HB GLU 15 37.959 14.237 -15.580 178 1HG GLU 15 2HG GLU 15 40.751 14.513 -14.520 179 2HG GLU 15 3HG GLU 15 40.521 13.322 -15.784 180 H ARG 16 HN ARG 16 38.306 12.710 -11.888 181 HA ARG 16 HA ARG 16 40.707 13.593 -10.513 182 1HB ARG 16 2HB ARG 16 38.266 13.006 -9.436 183 2HB ARG 16 3HB ARG 16 38.983 11.407 -9.372 184 1HG ARG 16 2HG ARG 16 40.812 12.162 -7.997 185 2HG ARG 16 3HG ARG 16 40.472 13.849 -8.328 186 1HD ARG 16 2HD ARG 16 39.384 13.774 -6.305 187 2HD ARG 16 3HD ARG 16 38.067 13.104 -7.246 188 HE ARG 16 HE ARG 16 38.521 10.957 -6.361 189 1HH1 ARG 16 2HH2 ARG 16 41.053 13.225 -5.451 190 2HH1 ARG 16 1HH2 ARG 16 41.762 12.162 -4.282 191 1HH2 ARG 16 2HH1 ARG 16 39.457 9.554 -4.820 192 2HH2 ARG 16 1HH1 ARG 16 40.848 10.058 -3.921 193 H ARG 17 HN ARG 17 38.959 10.544 -11.487 194 HA ARG 17 HA ARG 17 41.372 9.520 -12.566 195 1HB ARG 17 2HB ARG 17 40.429 8.682 -9.867 196 2HB ARG 17 3HB ARG 17 40.746 7.342 -10.952 197 1HG ARG 17 2HG ARG 17 43.020 8.399 -11.456 198 2HG ARG 17 3HG ARG 17 42.693 9.567 -10.190 199 1HD ARG 17 2HD ARG 17 43.593 8.065 -8.735 200 2HD ARG 17 3HD ARG 17 42.129 7.124 -8.937 201 HE ARG 17 HE ARG 17 44.101 6.644 -11.050 202 1HH1 ARG 17 2HH2 ARG 17 43.053 5.713 -7.821 203 2HH1 ARG 17 1HH2 ARG 17 43.791 4.147 -7.895 204 1HH2 ARG 17 2HH1 ARG 17 45.074 4.579 -11.147 205 2HH2 ARG 17 1HH1 ARG 17 44.948 3.497 -9.800 206 H ARG 18 HN ARG 18 40.094 9.371 -14.501 207 HA ARG 18 HA ARG 18 38.061 7.295 -14.332 208 1HB ARG 18 2HB ARG 18 37.986 9.993 -15.700 209 2HB ARG 18 3HB ARG 18 37.131 8.664 -16.456 210 1HG ARG 18 2HG ARG 18 35.846 8.266 -14.368 211 2HG ARG 18 3HG ARG 18 36.742 9.532 -13.553 212 1HD ARG 18 2HD ARG 18 35.704 10.663 -15.990 213 2HD ARG 18 3HD ARG 18 34.394 9.783 -15.229 214 HE ARG 18 HE ARG 18 35.944 11.497 -13.399 215 1HH1 ARG 18 2HH2 ARG 18 33.146 11.254 -15.521 216 2HH1 ARG 18 1HH2 ARG 18 32.302 12.566 -14.769 217 1HH2 ARG 18 2HH1 ARG 18 34.830 13.228 -12.407 218 2HH2 ARG 18 1HH1 ARG 18 33.267 13.697 -12.986 219 H SER 19 HN SER 19 40.317 6.161 -14.827 220 HA SER 19 HA SER 19 41.736 6.443 -17.051 221 1HB SER 19 2HB SER 19 41.221 4.343 -15.168 222 2HB SER 19 3HB SER 19 41.199 3.614 -16.762 223 HG SER 19 HG SER 19 43.348 3.604 -16.007 224 H GLN 20 HN GLN 20 40.791 7.053 -19.009 225 HA GLN 20 HA GLN 20 39.373 7.047 -20.696 226 1HB GLN 20 2HB GLN 20 41.191 5.130 -21.010 227 2HB GLN 20 3HB GLN 20 39.801 4.065 -20.928 228 1HG GLN 20 2HG GLN 20 38.900 4.839 -22.931 229 2HG GLN 20 3HG GLN 20 39.548 6.455 -22.728 230 1HE2 GLN 20 1HE2 GLN 20 40.601 3.085 -23.159 231 2HE2 GLN 20 2HE2 GLN 20 41.928 3.401 -24.226 232 H LEU 21 HN LEU 21 37.723 7.180 -18.605 233 HA LEU 21 HA LEU 21 35.763 5.030 -18.998 234 1HB LEU 21 2HB LEU 21 36.630 5.215 -16.733 235 2HB LEU 21 3HB LEU 21 36.187 6.909 -16.671 236 HG LEU 21 HG LEU 21 34.687 4.978 -15.608 237 1HD1 LEU 21 1HD1 LEU 21 33.210 7.201 -16.981 238 2HD1 LEU 21 2HD1 LEU 21 33.021 6.552 -15.334 239 3HD1 LEU 21 3HD1 LEU 21 34.426 7.570 -15.733 240 1HD2 LEU 21 1HD2 LEU 21 34.432 3.972 -17.960 241 2HD2 LEU 21 2HD2 LEU 21 32.972 4.145 -16.955 242 3HD2 LEU 21 3HD2 LEU 21 33.297 5.310 -18.261 243 H ASP 22 HN ASP 22 34.923 5.919 -20.968 244 HA ASP 22 HA ASP 22 34.227 8.529 -21.318 245 1HB ASP 22 2HB ASP 22 32.571 6.195 -22.356 246 2HB ASP 22 3HB ASP 22 32.819 7.748 -23.129 247 H ARG 23 HN ARG 23 31.953 9.501 -21.340 248 HA ARG 23 HA ARG 23 30.724 9.048 -18.877 249 1HB ARG 23 2HB ARG 23 30.066 10.717 -21.328 250 2HB ARG 23 3HB ARG 23 28.892 10.594 -20.032 251 1HG ARG 23 2HG ARG 23 31.795 11.415 -19.566 252 2HG ARG 23 3HG ARG 23 30.517 12.573 -19.876 253 1HD ARG 23 2HD ARG 23 30.484 10.547 -17.586 254 2HD ARG 23 3HD ARG 23 30.977 12.219 -17.416 255 HE ARG 23 HE ARG 23 28.431 12.283 -18.633 256 1HH1 ARG 23 2HH2 ARG 23 29.819 11.171 -15.598 257 2HH1 ARG 23 1HH2 ARG 23 28.362 11.417 -14.693 258 1HH2 ARG 23 2HH1 ARG 23 26.508 12.608 -17.441 259 2HH2 ARG 23 1HH1 ARG 23 26.466 12.240 -15.750 260 H ASP 24 HN ASP 24 30.623 7.252 -21.722 261 HA ASP 24 HA ASP 24 27.969 6.268 -21.033 262 1HB ASP 24 2HB ASP 24 29.236 6.716 -23.762 263 2HB ASP 24 3HB ASP 24 27.921 5.575 -23.560 264 H GLN 25 HN GLN 25 30.896 5.553 -20.329 265 HA GLN 25 HA GLN 25 30.901 2.877 -21.492 266 1HB GLN 25 2HB GLN 25 32.890 4.242 -22.083 267 2HB GLN 25 3HB GLN 25 33.232 4.503 -20.385 268 1HG GLN 25 2HG GLN 25 33.753 2.186 -20.013 269 2HG GLN 25 3HG GLN 25 33.009 1.691 -21.520 270 1HE2 GLN 25 1HE2 GLN 25 34.535 0.916 -22.767 271 2HE2 GLN 25 2HE2 GLN 25 36.053 1.659 -23.145 272 H CYS 26 HN CYS 26 30.677 1.135 -20.121 273 HA CYS 26 HA CYS 26 29.823 1.527 -17.529 274 1HB CYS 26 2HB CYS 26 29.300 -0.482 -18.828 275 2HB CYS 26 3HB CYS 26 30.981 -0.975 -18.802 276 H ALA 27 HN ALA 27 30.910 1.781 -15.580 277 HA ALA 27 HA ALA 27 33.829 1.769 -15.739 278 1HB ALA 27 1HB ALA 27 31.745 3.200 -14.124 279 2HB ALA 27 2HB ALA 27 33.331 2.905 -13.369 280 3HB ALA 27 3HB ALA 27 33.226 3.827 -14.887 281 H TYR 28 HN TYR 28 32.276 -0.735 -15.684 282 HA TYR 28 HA TYR 28 33.230 -1.726 -13.083 283 1HB TYR 28 2HB TYR 28 30.635 -1.455 -13.592 284 2HB TYR 28 3HB TYR 28 30.859 -2.760 -14.740 285 HD1 TYR 28 HD1 TYR 28 30.644 -1.865 -11.200 286 HD2 TYR 28 HD2 TYR 28 31.400 -5.045 -13.960 287 HE1 TYR 28 HE1 TYR 28 30.318 -3.566 -9.339 288 HE2 TYR 28 HE2 TYR 28 31.073 -6.737 -12.089 289 HH TYR 28 HH TYR 28 29.543 -6.173 -9.400 290 H CYS 29 HN CYS 29 31.995 -2.927 -16.292 291 HA CYS 29 HA CYS 29 34.009 -5.007 -16.169 292 1HB CYS 29 2HB CYS 29 32.822 -5.958 -18.118 293 2HB CYS 29 3HB CYS 29 31.767 -5.726 -16.738 294 H LYS 30 HN LYS 30 33.085 -2.012 -17.886 295 HA LYS 30 HA LYS 30 34.620 -0.629 -18.882 296 1HB LYS 30 2HB LYS 30 36.444 -2.327 -18.132 297 2HB LYS 30 3HB LYS 30 36.309 -2.966 -19.757 298 1HG LYS 30 2HG LYS 30 37.423 -1.195 -20.658 299 2HG LYS 30 3HG LYS 30 36.447 -0.032 -19.783 300 1HD LYS 30 2HD LYS 30 38.511 -1.608 -18.240 301 2HD LYS 30 3HD LYS 30 39.068 -0.314 -19.282 302 1HE LYS 30 2HE LYS 30 37.138 1.083 -18.071 303 2HE LYS 30 3HE LYS 30 37.299 -0.147 -16.833 304 1HZ LYS 30 1HZ LYS 30 39.620 1.295 -17.892 305 2HZ LYS 30 2HZ LYS 30 38.758 1.850 -16.622 306 3HZ LYS 30 3HZ LYS 30 39.528 0.413 -16.521 307 H GLU 31 HN GLU 31 32.178 -2.094 -19.722 308 HA GLU 31 HA GLU 31 32.738 -2.320 -22.569 309 1HB GLU 31 2HB GLU 31 30.638 -3.507 -20.753 310 2HB GLU 31 3HB GLU 31 30.263 -3.303 -22.453 311 1HG GLU 31 2HG GLU 31 31.186 -5.494 -22.320 312 2HG GLU 31 3HG GLU 31 32.496 -4.514 -22.949 313 H LYS 32 HN LYS 32 32.061 -0.710 -23.927 314 HA LYS 32 HA LYS 32 30.590 1.476 -22.786 315 1HB LYS 32 2HB LYS 32 31.023 2.564 -24.934 316 2HB LYS 32 3HB LYS 32 32.492 1.905 -24.242 317 1HG LYS 32 2HG LYS 32 31.136 -0.074 -25.939 318 2HG LYS 32 3HG LYS 32 31.467 1.400 -26.827 319 1HD LYS 32 2HD LYS 32 33.690 0.942 -26.919 320 2HD LYS 32 3HD LYS 32 33.776 0.698 -25.185 321 1HE LYS 32 2HE LYS 32 33.358 -1.615 -25.344 322 2HE LYS 32 3HE LYS 32 32.512 -1.468 -26.872 323 1HZ LYS 32 1HZ LYS 32 34.899 -2.348 -26.825 324 2HZ LYS 32 2HZ LYS 32 34.469 -1.312 -28.013 325 3HZ LYS 32 3HZ LYS 32 35.339 -0.778 -26.737 326 H GLY 33 HN GLY 33 28.464 2.052 -23.163 327 1HA GLY 33 1HA GLY 33 26.641 1.791 -24.875 328 2HA GLY 33 2HA GLY 33 26.881 0.066 -24.677 329 H HIS 34 HN HIS 34 27.356 -0.080 -21.855 330 HA HIS 34 HA HIS 34 24.786 0.899 -20.839 331 1HB HIS 34 2HB HIS 34 24.495 -1.122 -19.609 332 2HB HIS 34 3HB HIS 34 24.816 -1.549 -21.279 333 HD1 HIS 34 HD1 HIS 34 26.814 -3.053 -21.750 334 HD2 HIS 34 HD2 HIS 34 26.749 -1.599 -17.816 335 HE1 HIS 34 HE1 HIS 34 28.642 -4.311 -20.493 336 H TRP 35 HN TRP 35 24.741 1.325 -18.479 337 HA TRP 35 HA TRP 35 27.292 2.455 -17.667 338 1HB TRP 35 2HB TRP 35 24.439 2.938 -17.067 339 2HB TRP 35 3HB TRP 35 25.537 3.135 -15.714 340 HD1 TRP 35 HD1 TRP 35 26.175 4.199 -19.422 341 HE1 TRP 35 HE1 TRP 35 26.744 6.772 -19.559 342 HE3 TRP 35 HE3 TRP 35 25.484 5.151 -14.475 343 HZ2 TRP 35 HZ2 TRP 35 26.838 8.870 -17.626 344 HZ3 TRP 35 HZ3 TRP 35 25.835 7.488 -13.683 345 HH2 TRP 35 HH2 TRP 35 26.488 9.315 -15.169 346 H ALA 36 HN ALA 36 27.981 2.105 -15.334 347 HA ALA 36 HA ALA 36 28.255 -0.616 -14.816 348 1HB ALA 36 1HB ALA 36 29.861 1.039 -14.048 349 2HB ALA 36 2HB ALA 36 28.619 1.838 -13.052 350 3HB ALA 36 3HB ALA 36 29.181 0.202 -12.632 351 H LYS 37 HN LYS 37 25.845 1.807 -13.784 352 HA LYS 37 HA LYS 37 24.750 0.263 -11.701 353 1HB LYS 37 2HB LYS 37 23.928 2.679 -13.269 354 2HB LYS 37 3HB LYS 37 22.718 1.859 -12.303 355 1HG LYS 37 2HG LYS 37 23.594 2.658 -10.361 356 2HG LYS 37 3HG LYS 37 25.211 2.141 -10.793 357 1HD LYS 37 2HD LYS 37 25.680 4.174 -11.970 358 2HD LYS 37 3HD LYS 37 23.985 4.608 -12.077 359 1HE LYS 37 2HE LYS 37 25.010 5.995 -10.354 360 2HE LYS 37 3HE LYS 37 23.926 4.867 -9.564 361 1HZ LYS 37 1HZ LYS 37 25.998 4.906 -8.435 362 2HZ LYS 37 2HZ LYS 37 25.861 3.448 -9.159 363 3HZ LYS 37 3HZ LYS 37 26.841 4.587 -9.798 364 H ASP 38 HN ASP 38 24.826 -0.198 -15.085 365 HA ASP 38 HA ASP 38 22.556 -2.005 -14.820 366 1HB ASP 38 2HB ASP 38 22.501 0.219 -16.403 367 2HB ASP 38 3HB ASP 38 23.244 -0.903 -17.527 368 H CYS 39 HN CYS 39 25.549 -2.322 -14.473 369 HA CYS 39 HA CYS 39 26.639 -3.457 -16.792 370 1HB CYS 39 2HB CYS 39 27.975 -2.581 -14.884 371 2HB CYS 39 3HB CYS 39 27.435 -3.926 -13.900 372 HA PRO 40 HA PRO 40 24.443 -7.248 -16.513 373 1HB PRO 40 2HB PRO 40 25.511 -8.468 -18.712 374 2HB PRO 40 3HB PRO 40 24.164 -7.351 -18.797 375 1HG PRO 40 2HG PRO 40 26.989 -6.905 -19.543 376 2HG PRO 40 3HG PRO 40 25.574 -5.980 -20.002 377 1HD PRO 40 2HD PRO 40 27.531 -5.257 -18.035 378 2HD PRO 40 3HD PRO 40 26.055 -4.391 -18.412 379 H LYS 41 HN LYS 41 27.535 -6.682 -15.719 380 HA LYS 41 HA LYS 41 28.098 -9.520 -15.294 381 1HB LYS 41 2HB LYS 41 29.685 -7.576 -16.345 382 2HB LYS 41 3HB LYS 41 30.151 -7.480 -14.659 383 1HG LYS 41 2HG LYS 41 30.057 -10.238 -15.099 384 2HG LYS 41 3HG LYS 41 30.657 -9.632 -16.630 385 1HD LYS 41 2HD LYS 41 32.701 -9.237 -15.734 386 2HD LYS 41 3HD LYS 41 32.005 -8.213 -14.493 387 1HE LYS 41 2HE LYS 41 33.038 -9.951 -13.251 388 2HE LYS 41 3HE LYS 41 31.350 -10.422 -13.274 389 1HZ LYS 41 1HZ LYS 41 32.968 -11.366 -15.468 390 2HZ LYS 41 2HZ LYS 41 33.279 -12.026 -14.006 391 3HZ LYS 41 3HZ LYS 41 31.780 -12.128 -14.645 392 H LYS 42 HN LYS 42 26.946 -6.641 -13.749 393 HA LYS 42 HA LYS 42 27.939 -7.040 -11.173 394 1HB LYS 42 2HB LYS 42 26.002 -5.349 -12.516 395 2HB LYS 42 3HB LYS 42 25.389 -5.865 -10.957 396 1HG LYS 42 2HG LYS 42 27.760 -5.228 -10.037 397 2HG LYS 42 3HG LYS 42 27.970 -4.372 -11.552 398 1HD LYS 42 2HD LYS 42 25.507 -3.427 -10.861 399 2HD LYS 42 3HD LYS 42 26.134 -3.760 -9.259 400 1HE LYS 42 2HE LYS 42 28.141 -2.368 -9.728 401 2HE LYS 42 3HE LYS 42 27.581 -2.080 -11.363 402 1HZ LYS 42 1HZ LYS 42 26.868 -0.262 -10.165 403 2HZ LYS 42 2HZ LYS 42 25.518 -1.178 -10.241 404 3HZ LYS 42 3HZ LYS 42 26.397 -1.132 -8.866 405 HA PRO 43 HA PRO 43 25.634 -10.395 -9.743 406 1HB PRO 43 2HB PRO 43 25.570 -9.931 -7.050 407 2HB PRO 43 3HB PRO 43 26.959 -10.611 -7.872 408 1HG PRO 43 2HG PRO 43 26.582 -7.872 -6.825 409 2HG PRO 43 3HG PRO 43 28.073 -8.687 -7.253 410 1HD PRO 43 2HD PRO 43 26.707 -6.686 -8.790 411 2HD PRO 43 3HD PRO 43 28.133 -7.585 -9.270 412 H ARG 44 HN ARG 44 23.584 -10.872 -10.178 413 HA ARG 44 HA ARG 44 21.653 -9.013 -10.222 414 1HB ARG 44 2HB ARG 44 20.029 -10.956 -10.079 415 2HB ARG 44 3HB ARG 44 21.330 -11.214 -11.225 416 1HG ARG 44 2HG ARG 44 22.040 -13.049 -10.098 417 2HG ARG 44 3HG ARG 44 22.197 -12.133 -8.612 418 1HD ARG 44 2HD ARG 44 20.115 -12.783 -7.819 419 2HD ARG 44 3HD ARG 44 19.392 -12.814 -9.415 420 HE ARG 44 HE ARG 44 21.411 -14.908 -8.965 421 1HH1 ARG 44 2HH2 ARG 44 18.003 -14.054 -8.773 422 2HH1 ARG 44 1HH2 ARG 44 17.457 -15.697 -8.802 423 1HH2 ARG 44 2HH1 ARG 44 20.692 -17.077 -9.004 424 2HH2 ARG 44 1HH1 ARG 44 18.998 -17.429 -8.934 425 H GLY 45 HN GLY 45 20.500 -7.868 -8.686 426 1HA GLY 45 1HA GLY 45 19.803 -7.163 -6.668 427 2HA GLY 45 2HA GLY 45 19.414 -8.843 -6.358 428 HA PRO 46 HA PRO 46 18.963 -8.107 -4.516 429 1HB PRO 46 2HB PRO 46 18.915 -6.821 -2.106 430 2HB PRO 46 3HB PRO 46 18.961 -8.566 -2.259 431 1HG PRO 46 2HG PRO 46 21.136 -6.715 -1.497 432 2HG PRO 46 3HG PRO 46 21.031 -8.447 -1.250 433 1HD PRO 46 2HD PRO 46 22.588 -7.088 -3.239 434 2HD PRO 46 3HD PRO 46 22.391 -8.820 -3.066 435 H ARG 47 HN ARG 47 21.231 -5.913 -5.270 436 HA ARG 47 HA ARG 47 21.074 -4.007 -6.299 437 1HB ARG 47 2HB ARG 47 18.771 -4.878 -7.099 438 2HB ARG 47 3HB ARG 47 18.059 -3.933 -5.807 439 1HG ARG 47 2HG ARG 47 17.983 -2.287 -7.409 440 2HG ARG 47 3HG ARG 47 19.641 -2.011 -6.915 441 1HD ARG 47 2HD ARG 47 20.168 -3.911 -8.730 442 2HD ARG 47 3HD ARG 47 18.609 -3.437 -9.375 443 HE ARG 47 HE ARG 47 20.412 -1.182 -8.802 444 1HH1 ARG 47 2HH2 ARG 47 19.330 -3.514 -11.205 445 2HH1 ARG 47 1HH2 ARG 47 19.859 -2.563 -12.552 446 1HH2 ARG 47 2HH1 ARG 47 21.111 0.072 -10.579 447 2HH2 ARG 47 1HH1 ARG 47 20.879 -0.509 -12.194 448 H GLY 48 HN GLY 48 22.248 -3.069 -4.491 449 1HA GLY 48 1HA GLY 48 21.467 -0.767 -3.419 450 2HA GLY 48 2HA GLY 48 20.707 -1.897 -2.315 451 HA PRO 49 HA PRO 49 25.458 -2.132 -1.965 452 1HB PRO 49 2HB PRO 49 26.795 0.191 -2.500 453 2HB PRO 49 3HB PRO 49 26.662 -1.125 -3.650 454 1HG PRO 49 2HG PRO 49 25.243 1.468 -3.629 455 2HG PRO 49 3HG PRO 49 25.451 0.341 -4.955 456 1HD PRO 49 2HD PRO 49 23.082 0.723 -3.386 457 2HD PRO 49 3HD PRO 49 23.330 -0.482 -4.633 458 H ARG 50 HN ARG 50 24.047 -2.150 0.043 459 HA ARG 50 HA ARG 50 23.856 -1.612 2.126 460 1HB ARG 50 2HB ARG 50 26.541 -0.514 1.449 461 2HB ARG 50 3HB ARG 50 25.820 0.212 2.872 462 1HG ARG 50 2HG ARG 50 25.365 -2.631 3.023 463 2HG ARG 50 3HG ARG 50 27.052 -2.388 2.617 464 1HD ARG 50 2HD ARG 50 27.311 -2.117 4.884 465 2HD ARG 50 3HD ARG 50 26.765 -0.482 4.570 466 HE ARG 50 HE ARG 50 24.836 -0.978 5.772 467 1HH1 ARG 50 2HH2 ARG 50 26.114 -3.975 4.445 468 2HH1 ARG 50 1HH2 ARG 50 24.906 -4.969 5.189 469 1HH2 ARG 50 2HH1 ARG 50 23.243 -2.288 6.756 470 2HH2 ARG 50 1HH1 ARG 50 23.262 -4.003 6.513 471 HA PRO 51 HA PRO 51 21.658 2.179 1.772 472 1HB PRO 51 2HB PRO 51 20.114 1.931 4.013 473 2HB PRO 51 3HB PRO 51 19.693 1.206 2.474 474 1HG PRO 51 2HG PRO 51 20.764 -0.093 4.904 475 2HG PRO 51 3HG PRO 51 19.951 -0.825 3.536 476 1HD PRO 51 2HD PRO 51 22.767 -0.864 4.080 477 2HD PRO 51 3HD PRO 51 21.966 -1.494 2.655 478 H GLN 52 HN GLN 52 24.078 2.858 2.224 479 HA GLN 52 HA GLN 52 23.833 5.015 3.916 480 1HB GLN 52 2HB GLN 52 24.107 2.808 5.493 481 2HB GLN 52 3HB GLN 52 25.800 3.179 5.228 482 1HG GLN 52 2HG GLN 52 24.683 5.694 5.759 483 2HG GLN 52 3HG GLN 52 23.790 4.635 6.832 484 1HE2 GLN 52 1HE2 GLN 52 24.798 3.571 8.488 485 2HE2 GLN 52 2HE2 GLN 52 26.411 3.913 9.019 486 H THR 53 HN THR 53 24.849 6.156 2.255 487 HA THR 53 HA THR 53 27.129 5.205 0.899 488 HB THR 53 HB THR 53 25.738 7.902 1.227 489 HG1 THR 53 HG1 THR 53 24.982 5.881 -0.031 490 1HG2 THR 53 1HG2 THR 53 27.911 8.655 0.604 491 2HG2 THR 53 2HG2 THR 53 28.261 7.165 -0.305 492 3HG2 THR 53 3HG2 THR 53 27.129 8.367 -0.969 493 H SER 54 HN SER 54 28.825 4.542 2.156 494 HA SER 54 HA SER 54 29.730 6.352 4.201 495 1HB SER 54 2HB SER 54 31.305 4.538 4.786 496 2HB SER 54 3HB SER 54 29.662 3.937 4.690 497 HG SER 54 HG SER 54 30.409 2.506 3.294 498 H LEU 55 HN LEU 55 31.644 7.576 4.093 499 HA LEU 55 HA LEU 55 33.567 7.087 2.043 500 1HB LEU 55 2HB LEU 55 33.273 8.943 0.686 501 2HB LEU 55 3HB LEU 55 31.670 8.255 0.855 502 HG LEU 55 HG LEU 55 32.486 10.469 2.704 503 1HD1 LEU 55 1HD1 LEU 55 31.371 11.970 0.833 504 2HD1 LEU 55 2HD1 LEU 55 33.119 11.635 0.844 505 3HD1 LEU 55 3HD1 LEU 55 32.044 10.720 -0.240 506 1HD2 LEU 55 1HD2 LEU 55 30.177 8.992 2.360 507 2HD2 LEU 55 2HD2 LEU 55 30.316 10.549 3.211 508 3HD2 LEU 55 3HD2 LEU 55 29.823 10.511 1.502 509 H LEU 56 HN LEU 56 35.436 8.615 2.255 510 HA LEU 56 HA LEU 56 36.274 8.838 4.828 511 1HB LEU 56 2HB LEU 56 38.086 10.030 4.015 512 2HB LEU 56 3HB LEU 56 37.571 9.034 2.668 513 HG LEU 56 HG LEU 56 38.035 11.066 1.662 514 1HD1 LEU 56 1HD1 LEU 56 35.085 11.339 2.296 515 2HD1 LEU 56 2HD1 LEU 56 35.952 11.987 0.882 516 3HD1 LEU 56 3HD1 LEU 56 35.770 10.228 1.084 517 1HD2 LEU 56 1HD2 LEU 56 38.441 12.805 2.986 518 2HD2 LEU 56 2HD2 LEU 56 36.694 13.141 2.944 519 3HD2 LEU 56 3HD2 LEU 56 37.382 12.172 4.269 Start of MODEL 18 1 1H5* C 504 1H5* C 504 36.243 -4.644 -2.278 2 2H5* C 504 2H5* C 504 36.706 -3.986 -3.848 3 H4* C 504 H4* C 504 38.137 -5.859 -3.029 4 H3* C 504 H3* C 504 36.684 -6.229 -5.667 5 H2* C 504 H2* C 504 38.177 -8.031 -6.066 6 2HO* C 504 2HO* C 504 40.145 -7.747 -5.184 7 H1* C 504 H1* C 504 37.854 -8.676 -3.198 8 1H4 C 504 1H4 C 504 35.752 -13.905 -6.192 9 2H4 C 504 2H4 C 504 34.338 -13.023 -6.726 10 H5 C 504 H5 C 504 34.010 -10.714 -6.358 11 H6 C 504 H6 C 504 34.968 -8.661 -5.375 12 1H5* C 505 1H5* C 505 39.877 -7.468 -7.195 13 2H5* C 505 2H5* C 505 40.394 -6.219 -8.326 14 H4* C 505 H4* C 505 40.335 -8.119 -9.642 15 H3* C 505 H3* C 505 37.812 -6.542 -9.995 16 H2* C 505 H2* C 505 36.983 -8.133 -11.553 17 2HO* C 505 2HO* C 505 38.867 -10.007 -11.588 18 H1* C 505 H1* C 505 37.659 -10.309 -9.867 19 1H4 C 505 1H4 C 505 31.391 -9.326 -9.034 20 2H4 C 505 2H4 C 505 31.774 -8.159 -7.789 21 H5 C 505 H5 C 505 33.969 -7.448 -7.282 22 H6 C 505 H6 C 505 36.360 -7.685 -7.851 23 1H5* U 506 1H5* U 506 39.578 -2.638 -10.176 24 2H5* U 506 2H5* U 506 38.432 -2.881 -8.856 25 H4* U 506 H4* U 506 37.476 -1.863 -10.934 26 H3* U 506 H3* U 506 36.309 -4.432 -9.843 27 H2* U 506 H2* U 506 34.568 -4.234 -11.398 28 2HO* U 506 2HO* U 506 35.280 -1.713 -12.340 29 H1* U 506 H1* U 506 36.391 -3.080 -13.366 30 H3 U 506 H3 U 506 36.397 -6.630 -16.127 31 H5 U 506 H5 U 506 34.817 -8.196 -12.580 32 H6 U 506 H6 U 506 35.281 -6.028 -11.532 33 1H5* C 507 1H5* C 507 34.768 -0.339 -10.380 34 2H5* C 507 2H5* C 507 34.346 0.053 -8.713 35 H4* C 507 H4* C 507 33.327 1.267 -10.936 36 H3* C 507 H3* C 507 32.425 1.128 -8.089 37 H2* C 507 H2* C 507 30.379 2.216 -8.612 38 2HO* C 507 2HO* C 507 30.319 3.393 -10.496 39 H1* C 507 H1* C 507 29.812 0.548 -10.777 40 1H4 C 507 1H4 C 507 26.910 -2.014 -5.659 41 2H4 C 507 2H4 C 507 28.281 -3.089 -5.499 42 H5 C 507 H5 C 507 30.249 -2.916 -6.792 43 H6 C 507 H6 C 507 31.399 -1.655 -8.576 44 1H5* C 508 1H5* C 508 33.902 5.704 -6.816 45 2H5* C 508 2H5* C 508 33.387 5.969 -8.482 46 H4* C 508 H4* C 508 35.149 7.534 -7.210 47 H3* C 508 H3* C 508 34.810 6.920 -10.118 48 H2* C 508 H2* C 508 36.732 8.214 -10.668 49 2HO* C 508 2HO* C 508 36.731 9.870 -9.242 50 H1* C 508 H1* C 508 38.344 6.958 -8.770 51 1H4 C 508 1H4 C 508 39.451 3.321 -13.865 52 2H4 C 508 2H4 C 508 37.768 2.850 -13.937 53 H5 C 508 H5 C 508 36.108 3.672 -12.471 54 H6 C 508 H6 C 508 35.652 5.162 -10.556 55 1H5* G 509 1H5* G 509 31.989 11.339 -10.413 56 2H5* G 509 2H5* G 509 30.690 10.438 -9.631 57 H4* G 509 H4* G 509 30.593 11.431 -12.156 58 H3* G 509 H3* G 509 29.098 9.143 -10.884 59 H2* G 509 H2* G 509 27.933 8.816 -12.920 60 2HO* G 509 2HO* G 509 27.579 10.712 -13.911 61 H1* G 509 H1* G 509 30.332 9.124 -14.448 62 H8 G 509 H8 G 509 29.849 6.895 -11.365 63 H1 G 509 H1 G 509 29.808 3.821 -17.060 64 1H2 G 509 1H2 G 509 29.963 5.198 -18.587 65 2H2 G 509 2H2 G 509 30.084 6.929 -18.359 66 1H5* U 510 1H5* U 510 26.382 13.726 -8.817 67 2H5* U 510 2H5* U 510 26.311 12.138 -8.053 68 H4* U 510 H4* U 510 24.182 13.500 -8.036 69 H3* U 510 H3* U 510 24.284 10.667 -9.048 70 H2* U 510 H2* U 510 21.936 10.689 -9.323 71 2HO* U 510 2HO* U 510 21.103 11.802 -7.649 72 H1* U 510 H1* U 510 22.017 13.345 -10.425 73 H3 U 510 H3 U 510 20.138 10.955 -13.788 74 H5 U 510 H5 U 510 24.129 9.684 -13.755 75 H6 U 510 H6 U 510 24.425 10.991 -11.702 76 1H ALA 1 HN ALA 1 15.864 0.779 11.043 77 HA ALA 1 HA ALA 1 13.743 -1.245 10.799 78 1HB ALA 1 1HB ALA 1 14.445 -1.468 8.442 79 2HB ALA 1 2HB ALA 1 13.923 0.195 8.802 80 3HB ALA 1 3HB ALA 1 15.657 -0.187 8.678 81 H THR 2 HN THR 2 17.282 -0.701 10.130 82 HA THR 2 HA THR 2 17.795 -3.236 11.520 83 HB THR 2 HB THR 2 18.672 -2.369 8.725 84 HG1 THR 2 HG1 THR 2 17.542 -4.773 9.976 85 1HG2 THR 2 1HG2 THR 2 19.700 -4.695 10.436 86 2HG2 THR 2 2HG2 THR 2 20.054 -4.450 8.709 87 3HG2 THR 2 3HG2 THR 2 20.672 -3.297 9.916 88 H VAL 3 HN VAL 3 19.932 -3.438 12.427 89 HA VAL 3 HA VAL 3 20.922 -0.824 13.211 90 HB VAL 3 HB VAL 3 21.462 -3.637 14.176 91 1HG1 VAL 3 1HG1 VAL 3 23.152 -2.931 15.479 92 2HG1 VAL 3 2HG1 VAL 3 23.232 -1.535 14.376 93 3HG1 VAL 3 3HG1 VAL 3 22.319 -1.415 15.900 94 1HG2 VAL 3 1HG2 VAL 3 19.247 -2.863 14.771 95 2HG2 VAL 3 2HG2 VAL 3 20.280 -2.841 16.221 96 3HG2 VAL 3 3HG2 VAL 3 19.904 -1.322 15.373 97 H VAL 4 HN VAL 4 21.871 -0.207 11.158 98 HA VAL 4 HA VAL 4 24.106 -1.874 10.298 99 HB VAL 4 HB VAL 4 22.368 -1.067 8.698 100 1HG1 VAL 4 1HG1 VAL 4 22.251 1.237 9.890 101 2HG1 VAL 4 2HG1 VAL 4 23.646 1.660 8.869 102 3HG1 VAL 4 3HG1 VAL 4 22.106 1.180 8.116 103 1HG2 VAL 4 1HG2 VAL 4 25.158 -0.014 8.129 104 2HG2 VAL 4 2HG2 VAL 4 24.673 -1.723 8.013 105 3HG2 VAL 4 3HG2 VAL 4 23.933 -0.513 6.939 106 H SER 5 HN SER 5 26.127 -1.447 11.007 107 HA SER 5 HA SER 5 26.619 1.299 11.860 108 1HB SER 5 2HB SER 5 27.468 -1.334 13.103 109 2HB SER 5 3HB SER 5 28.394 0.124 13.399 110 HG SER 5 HG SER 5 26.338 1.129 14.128 111 H GLY 6 HN GLY 6 27.912 2.232 10.311 112 1HA GLY 6 1HA GLY 6 29.723 0.571 8.753 113 2HA GLY 6 2HA GLY 6 29.326 2.258 8.496 114 H GLN 7 HN GLN 7 30.935 0.119 10.957 115 HA GLN 7 HA GLN 7 32.467 2.299 11.924 116 1HB GLN 7 2HB GLN 7 31.690 0.244 13.252 117 2HB GLN 7 3HB GLN 7 32.940 -0.667 12.429 118 1HG GLN 7 2HG GLN 7 34.663 0.379 13.573 119 2HG GLN 7 3HG GLN 7 33.825 1.915 13.658 120 1HE2 GLN 7 1HE2 GLN 7 34.427 2.056 15.845 121 2HE2 GLN 7 2HE2 GLN 7 33.581 1.200 17.092 122 H LYS 8 HN LYS 8 33.768 3.168 10.278 123 HA LYS 8 HA LYS 8 36.149 1.734 9.719 124 1HB LYS 8 2HB LYS 8 35.958 1.444 7.359 125 2HB LYS 8 3HB LYS 8 34.585 0.650 8.103 126 1HG LYS 8 2HG LYS 8 33.062 2.337 7.417 127 2HG LYS 8 3HG LYS 8 34.326 3.531 7.201 128 1HD LYS 8 2HD LYS 8 34.275 1.023 5.487 129 2HD LYS 8 3HD LYS 8 33.268 2.396 5.076 130 1HE LYS 8 2HE LYS 8 35.788 3.548 5.598 131 2HE LYS 8 3HE LYS 8 36.177 2.059 4.759 132 1HZ LYS 8 1HZ LYS 8 35.487 2.972 2.898 133 2HZ LYS 8 2HZ LYS 8 34.004 3.284 3.506 134 3HZ LYS 8 3HZ LYS 8 35.201 4.384 3.667 135 H GLN 9 HN GLN 9 37.785 3.130 8.846 136 HA GLN 9 HA GLN 9 36.906 5.880 8.511 137 1HB GLN 9 2HB GLN 9 38.936 4.817 10.478 138 2HB GLN 9 3HB GLN 9 39.191 6.404 9.782 139 1HG GLN 9 2HG GLN 9 37.205 7.292 10.726 140 2HG GLN 9 3HG GLN 9 36.475 5.711 10.932 141 1HE2 GLN 9 1HE2 GLN 9 36.281 5.174 12.956 142 2HE2 GLN 9 2HE2 GLN 9 37.403 5.471 14.241 143 H ASP 10 HN ASP 10 37.426 6.326 6.410 144 HA ASP 10 HA ASP 10 39.152 4.923 4.881 145 1HB ASP 10 2HB ASP 10 39.266 7.050 3.460 146 2HB ASP 10 3HB ASP 10 37.656 6.468 3.830 147 H ARG 11 HN ARG 11 41.390 5.343 4.151 148 HA ARG 11 HA ARG 11 42.824 7.285 5.744 149 1HB ARG 11 2HB ARG 11 42.917 4.730 6.582 150 2HB ARG 11 3HB ARG 11 44.104 4.579 5.303 151 1HG ARG 11 2HG ARG 11 44.383 6.930 7.163 152 2HG ARG 11 3HG ARG 11 44.768 5.348 7.811 153 1HD ARG 11 2HD ARG 11 46.188 5.074 5.581 154 2HD ARG 11 3HD ARG 11 46.096 6.823 5.519 155 HE ARG 11 HE ARG 11 46.879 6.301 8.136 156 1HH1 ARG 11 2HH2 ARG 11 48.131 5.436 4.963 157 2HH1 ARG 11 1HH2 ARG 11 49.777 5.353 5.495 158 1HH2 ARG 11 2HH1 ARG 11 49.051 6.191 8.838 159 2HH2 ARG 11 1HH1 ARG 11 50.304 5.785 7.713 160 H GLN 12 HN GLN 12 44.712 8.139 4.666 161 HA GLN 12 HA GLN 12 46.094 8.552 3.029 162 1HB GLN 12 2HB GLN 12 46.124 5.917 2.841 163 2HB GLN 12 3HB GLN 12 45.186 6.180 1.384 164 1HG GLN 12 2HG GLN 12 47.486 8.004 1.508 165 2HG GLN 12 3HG GLN 12 47.997 6.333 1.634 166 1HE2 GLN 12 1HE2 GLN 12 47.680 8.689 -0.475 167 2HE2 GLN 12 2HE2 GLN 12 47.235 7.855 -1.927 168 H GLY 13 HN GLY 13 43.152 7.033 1.508 169 1HA GLY 13 1HA GLY 13 41.499 8.735 0.726 170 2HA GLY 13 2HA GLY 13 42.847 9.510 -0.083 171 H GLY 14 HN GLY 14 43.412 8.853 -2.139 172 1HA GLY 14 1HA GLY 14 43.353 6.315 -3.176 173 2HA GLY 14 2HA GLY 14 41.740 6.941 -3.452 174 H GLU 15 HN GLU 15 41.456 8.931 -4.729 175 HA GLU 15 HA GLU 15 41.797 9.978 -6.617 176 1HB GLU 15 2HB GLU 15 44.171 10.626 -4.907 177 2HB GLU 15 3HB GLU 15 44.246 11.154 -6.577 178 1HG GLU 15 2HG GLU 15 42.849 12.879 -6.126 179 2HG GLU 15 3HG GLU 15 41.604 11.764 -5.597 180 H ARG 16 HN ARG 16 41.772 8.425 -8.264 181 HA ARG 16 HA ARG 16 44.404 7.759 -9.253 182 1HB ARG 16 2HB ARG 16 42.161 5.769 -8.686 183 2HB ARG 16 3HB ARG 16 43.451 5.402 -9.813 184 1HG ARG 16 2HG ARG 16 44.380 6.461 -7.187 185 2HG ARG 16 3HG ARG 16 43.555 4.917 -7.092 186 1HD ARG 16 2HD ARG 16 45.404 3.859 -7.874 187 2HD ARG 16 3HD ARG 16 45.334 4.794 -9.355 188 HE ARG 16 HE ARG 16 46.434 6.453 -7.300 189 1HH1 ARG 16 2HH2 ARG 16 47.274 3.622 -9.212 190 2HH1 ARG 16 1HH2 ARG 16 48.980 3.913 -9.129 191 1HH2 ARG 16 2HH1 ARG 16 48.683 6.839 -7.189 192 2HH2 ARG 16 1HH1 ARG 16 49.786 5.756 -7.970 193 H ARG 17 HN ARG 17 44.444 7.414 -11.589 194 HA ARG 17 HA ARG 17 42.487 8.898 -12.913 195 1HB ARG 17 2HB ARG 17 44.760 7.110 -13.888 196 2HB ARG 17 3HB ARG 17 43.731 7.984 -15.004 197 1HG ARG 17 2HG ARG 17 44.757 9.686 -12.807 198 2HG ARG 17 3HG ARG 17 46.034 8.990 -13.786 199 1HD ARG 17 2HD ARG 17 45.597 10.443 -15.476 200 2HD ARG 17 3HD ARG 17 43.928 9.915 -15.553 201 HE ARG 17 HE ARG 17 44.073 11.575 -13.289 202 1HH1 ARG 17 2HH2 ARG 17 44.662 11.910 -16.742 203 2HH1 ARG 17 1HH2 ARG 17 44.256 13.594 -16.778 204 1HH2 ARG 17 2HH1 ARG 17 43.537 13.796 -13.335 205 2HH2 ARG 17 1HH1 ARG 17 43.611 14.674 -14.827 206 H ARG 18 HN ARG 18 41.172 8.067 -14.830 207 HA ARG 18 HA ARG 18 40.427 5.289 -14.394 208 1HB ARG 18 2HB ARG 18 38.048 5.975 -14.947 209 2HB ARG 18 3HB ARG 18 38.642 6.653 -13.443 210 1HG ARG 18 2HG ARG 18 39.391 8.500 -15.495 211 2HG ARG 18 3HG ARG 18 37.735 8.040 -15.838 212 1HD ARG 18 2HD ARG 18 36.932 8.854 -13.762 213 2HD ARG 18 3HD ARG 18 38.502 8.743 -12.992 214 HE ARG 18 HE ARG 18 37.519 10.955 -14.650 215 1HH1 ARG 18 2HH2 ARG 18 40.375 9.369 -13.342 216 2HH1 ARG 18 1HH2 ARG 18 41.374 10.778 -13.473 217 1HH2 ARG 18 2HH1 ARG 18 38.836 12.814 -14.823 218 2HH2 ARG 18 1HH1 ARG 18 40.493 12.750 -14.322 219 H SER 19 HN SER 19 42.349 5.890 -16.278 220 HA SER 19 HA SER 19 42.872 5.950 -18.398 221 1HB SER 19 2HB SER 19 40.591 4.016 -18.196 222 2HB SER 19 3HB SER 19 41.092 4.458 -19.816 223 HG SER 19 HG SER 19 42.222 2.632 -18.274 224 H GLN 20 HN GLN 20 39.476 5.542 -19.408 225 HA GLN 20 HA GLN 20 39.240 8.364 -19.928 226 1HB GLN 20 2HB GLN 20 40.160 6.615 -21.952 227 2HB GLN 20 3HB GLN 20 38.469 6.881 -22.328 228 1HG GLN 20 2HG GLN 20 39.503 8.689 -23.423 229 2HG GLN 20 3HG GLN 20 38.993 9.421 -21.915 230 1HE2 GLN 20 1HE2 GLN 20 41.704 7.780 -23.498 231 2HE2 GLN 20 2HE2 GLN 20 42.984 8.604 -22.672 232 H LEU 21 HN LEU 21 37.863 6.926 -18.009 233 HA LEU 21 HA LEU 21 35.648 5.531 -18.634 234 1HB LEU 21 2HB LEU 21 36.644 6.446 -16.387 235 2HB LEU 21 3HB LEU 21 35.462 7.721 -16.605 236 HG LEU 21 HG LEU 21 34.995 4.776 -16.172 237 1HD1 LEU 21 1HD1 LEU 21 33.422 5.720 -14.424 238 2HD1 LEU 21 2HD1 LEU 21 35.162 5.978 -14.143 239 3HD1 LEU 21 3HD1 LEU 21 34.151 7.309 -14.755 240 1HD2 LEU 21 1HD2 LEU 21 32.481 5.577 -16.447 241 2HD2 LEU 21 2HD2 LEU 21 33.229 6.727 -17.583 242 3HD2 LEU 21 3HD2 LEU 21 33.435 4.975 -17.824 243 H ASP 22 HN ASP 22 34.529 5.958 -20.516 244 HA ASP 22 HA ASP 22 33.896 8.574 -21.281 245 1HB ASP 22 2HB ASP 22 32.431 6.041 -22.131 246 2HB ASP 22 3HB ASP 22 32.600 7.526 -23.048 247 H ARG 23 HN ARG 23 31.663 9.517 -21.379 248 HA ARG 23 HA ARG 23 30.305 9.143 -18.976 249 1HB ARG 23 2HB ARG 23 29.657 10.650 -21.546 250 2HB ARG 23 3HB ARG 23 28.539 10.643 -20.196 251 1HG ARG 23 2HG ARG 23 31.465 11.463 -19.916 252 2HG ARG 23 3HG ARG 23 30.187 12.609 -20.270 253 1HD ARG 23 2HD ARG 23 29.898 10.748 -17.892 254 2HD ARG 23 3HD ARG 23 30.912 12.170 -17.753 255 HE ARG 23 HE ARG 23 28.492 13.067 -18.888 256 1HH1 ARG 23 2HH2 ARG 23 29.517 11.523 -15.897 257 2HH1 ARG 23 1HH2 ARG 23 28.243 12.218 -14.951 258 1HH2 ARG 23 2HH1 ARG 23 26.811 13.984 -17.642 259 2HH2 ARG 23 1HH1 ARG 23 26.693 13.628 -15.951 260 H ASP 24 HN ASP 24 30.391 7.205 -21.718 261 HA ASP 24 HA ASP 24 27.757 6.153 -21.072 262 1HB ASP 24 2HB ASP 24 27.966 7.483 -23.327 263 2HB ASP 24 3HB ASP 24 28.897 6.110 -23.892 264 H GLN 25 HN GLN 25 30.643 5.518 -20.314 265 HA GLN 25 HA GLN 25 30.771 2.865 -21.525 266 1HB GLN 25 2HB GLN 25 32.729 4.014 -22.243 267 2HB GLN 25 3HB GLN 25 32.968 4.779 -20.684 268 1HG GLN 25 2HG GLN 25 33.381 2.468 -19.691 269 2HG GLN 25 3HG GLN 25 33.311 1.811 -21.313 270 1HE2 GLN 25 1HE2 GLN 25 35.142 3.542 -18.985 271 2HE2 GLN 25 2HE2 GLN 25 36.609 3.743 -19.883 272 H CYS 26 HN CYS 26 30.569 1.138 -20.144 273 HA CYS 26 HA CYS 26 29.794 1.511 -17.531 274 1HB CYS 26 2HB CYS 26 29.290 -0.511 -18.834 275 2HB CYS 26 3HB CYS 26 30.980 -0.974 -18.813 276 H ALA 27 HN ALA 27 30.916 1.612 -15.562 277 HA ALA 27 HA ALA 27 33.832 1.738 -15.814 278 1HB ALA 27 1HB ALA 27 31.812 2.954 -13.907 279 2HB ALA 27 2HB ALA 27 33.554 2.920 -13.541 280 3HB ALA 27 3HB ALA 27 32.964 3.784 -14.980 281 H TYR 28 HN TYR 28 32.326 -0.803 -15.762 282 HA TYR 28 HA TYR 28 33.423 -1.833 -13.237 283 1HB TYR 28 2HB TYR 28 30.798 -1.551 -13.571 284 2HB TYR 28 3HB TYR 28 30.945 -2.848 -14.740 285 HD1 TYR 28 HD1 TYR 28 30.845 -1.986 -11.207 286 HD2 TYR 28 HD2 TYR 28 31.658 -5.130 -13.993 287 HE1 TYR 28 HE1 TYR 28 30.646 -3.701 -9.341 288 HE2 TYR 28 HE2 TYR 28 31.457 -6.834 -12.118 289 HH TYR 28 HH TYR 28 30.518 -7.082 -10.007 290 H CYS 29 HN CYS 29 31.952 -3.000 -16.357 291 HA CYS 29 HA CYS 29 33.965 -5.079 -16.414 292 1HB CYS 29 2HB CYS 29 32.651 -6.004 -18.276 293 2HB CYS 29 3HB CYS 29 31.666 -5.749 -16.850 294 H LYS 30 HN LYS 30 33.650 -1.849 -17.329 295 HA LYS 30 HA LYS 30 34.884 -0.531 -18.608 296 1HB LYS 30 2HB LYS 30 36.472 -3.054 -18.775 297 2HB LYS 30 3HB LYS 30 36.822 -1.800 -19.947 298 1HG LYS 30 2HG LYS 30 36.677 -1.279 -16.943 299 2HG LYS 30 3HG LYS 30 38.168 -1.675 -17.774 300 1HD LYS 30 2HD LYS 30 38.262 0.370 -18.899 301 2HD LYS 30 3HD LYS 30 36.520 0.561 -18.929 302 1HE LYS 30 2HE LYS 30 37.200 2.179 -17.341 303 2HE LYS 30 3HE LYS 30 36.688 0.839 -16.335 304 1HZ LYS 30 1HZ LYS 30 39.387 0.548 -17.051 305 2HZ LYS 30 2HZ LYS 30 39.150 2.014 -16.369 306 3HZ LYS 30 3HZ LYS 30 38.726 0.659 -15.561 307 H GLU 31 HN GLU 31 32.451 -2.144 -19.472 308 HA GLU 31 HA GLU 31 32.906 -2.451 -22.282 309 1HB GLU 31 2HB GLU 31 31.435 -4.022 -21.042 310 2HB GLU 31 3HB GLU 31 30.362 -2.704 -20.618 311 1HG GLU 31 2HG GLU 31 29.681 -2.371 -22.900 312 2HG GLU 31 3HG GLU 31 31.018 -3.317 -23.524 313 H LYS 32 HN LYS 32 31.135 -1.427 -23.811 314 HA LYS 32 HA LYS 32 30.620 1.320 -22.917 315 1HB LYS 32 2HB LYS 32 32.043 0.358 -25.376 316 2HB LYS 32 3HB LYS 32 31.061 1.805 -25.480 317 1HG LYS 32 2HG LYS 32 32.839 2.941 -24.635 318 2HG LYS 32 3HG LYS 32 32.482 2.186 -23.095 319 1HD LYS 32 2HD LYS 32 34.262 0.745 -23.236 320 2HD LYS 32 3HD LYS 32 34.003 0.429 -24.940 321 1HE LYS 32 2HE LYS 32 35.308 2.254 -25.629 322 2HE LYS 32 3HE LYS 32 35.007 3.165 -24.163 323 1HZ LYS 32 1HZ LYS 32 37.251 1.946 -24.562 324 2HZ LYS 32 2HZ LYS 32 36.617 2.051 -23.060 325 3HZ LYS 32 3HZ LYS 32 36.460 0.670 -23.918 326 H GLY 33 HN GLY 33 28.530 1.948 -23.142 327 1HA GLY 33 1HA GLY 33 26.695 1.918 -24.874 328 2HA GLY 33 2HA GLY 33 26.785 0.174 -24.737 329 H HIS 34 HN HIS 34 27.250 -0.108 -21.922 330 HA HIS 34 HA HIS 34 24.720 0.965 -20.901 331 1HB HIS 34 2HB HIS 34 24.423 -1.029 -19.635 332 2HB HIS 34 3HB HIS 34 24.757 -1.493 -21.291 333 HD1 HIS 34 HD1 HIS 34 26.944 -2.798 -21.772 334 HD2 HIS 34 HD2 HIS 34 26.481 -1.668 -17.758 335 HE1 HIS 34 HE1 HIS 34 28.715 -4.081 -20.457 336 H TRP 35 HN TRP 35 24.705 1.191 -18.432 337 HA TRP 35 HA TRP 35 27.242 2.428 -17.673 338 1HB TRP 35 2HB TRP 35 24.385 2.893 -17.037 339 2HB TRP 35 3HB TRP 35 25.521 3.148 -15.728 340 HD1 TRP 35 HD1 TRP 35 25.899 4.131 -19.500 341 HE1 TRP 35 HE1 TRP 35 26.468 6.698 -19.728 342 HE3 TRP 35 HE3 TRP 35 25.649 5.165 -14.528 343 HZ2 TRP 35 HZ2 TRP 35 26.744 8.825 -17.845 344 HZ3 TRP 35 HZ3 TRP 35 26.082 7.512 -13.806 345 HH2 TRP 35 HH2 TRP 35 26.613 9.311 -15.373 346 H ALA 36 HN ALA 36 27.969 2.070 -15.369 347 HA ALA 36 HA ALA 36 28.224 -0.643 -14.830 348 1HB ALA 36 1HB ALA 36 29.867 0.914 -14.047 349 2HB ALA 36 2HB ALA 36 28.647 1.861 -13.164 350 3HB ALA 36 3HB ALA 36 29.090 0.233 -12.598 351 H LYS 37 HN LYS 37 25.881 1.824 -13.696 352 HA LYS 37 HA LYS 37 24.776 0.264 -11.645 353 1HB LYS 37 2HB LYS 37 24.067 2.746 -13.123 354 2HB LYS 37 3HB LYS 37 22.749 1.915 -12.322 355 1HG LYS 37 2HG LYS 37 23.481 3.199 -10.539 356 2HG LYS 37 3HG LYS 37 24.505 1.799 -10.291 357 1HD LYS 37 2HD LYS 37 26.200 3.346 -10.304 358 2HD LYS 37 3HD LYS 37 26.075 3.186 -12.044 359 1HE LYS 37 2HE LYS 37 25.719 5.441 -12.057 360 2HE LYS 37 3HE LYS 37 24.093 5.058 -11.528 361 1HZ LYS 37 1HZ LYS 37 26.183 6.276 -10.082 362 2HZ LYS 37 2HZ LYS 37 24.592 6.197 -9.724 363 3HZ LYS 37 3HZ LYS 37 25.594 4.990 -9.266 364 H ASP 38 HN ASP 38 24.779 -0.134 -15.047 365 HA ASP 38 HA ASP 38 22.495 -1.921 -14.766 366 1HB ASP 38 2HB ASP 38 22.543 0.332 -16.370 367 2HB ASP 38 3HB ASP 38 23.122 -0.882 -17.493 368 H CYS 39 HN CYS 39 25.449 -2.345 -14.421 369 HA CYS 39 HA CYS 39 26.495 -3.468 -16.782 370 1HB CYS 39 2HB CYS 39 27.878 -2.608 -14.897 371 2HB CYS 39 3HB CYS 39 27.344 -3.952 -13.907 372 HA PRO 40 HA PRO 40 24.340 -7.267 -16.493 373 1HB PRO 40 2HB PRO 40 25.576 -8.601 -18.532 374 2HB PRO 40 3HB PRO 40 24.254 -7.478 -18.783 375 1HG PRO 40 2HG PRO 40 27.139 -7.094 -19.305 376 2HG PRO 40 3HG PRO 40 25.780 -6.180 -19.928 377 1HD PRO 40 2HD PRO 40 27.573 -5.381 -17.835 378 2HD PRO 40 3HD PRO 40 26.147 -4.520 -18.379 379 H LYS 41 HN LYS 41 27.357 -6.690 -15.459 380 HA LYS 41 HA LYS 41 27.831 -9.512 -14.842 381 1HB LYS 41 2HB LYS 41 29.638 -8.259 -15.986 382 2HB LYS 41 3HB LYS 41 29.700 -7.130 -14.648 383 1HG LYS 41 2HG LYS 41 30.481 -8.798 -13.116 384 2HG LYS 41 3HG LYS 41 29.995 -10.117 -14.164 385 1HD LYS 41 2HD LYS 41 31.721 -9.355 -15.853 386 2HD LYS 41 3HD LYS 41 32.246 -8.127 -14.719 387 1HE LYS 41 2HE LYS 41 33.729 -9.761 -14.061 388 2HE LYS 41 3HE LYS 41 32.380 -10.294 -13.076 389 1HZ LYS 41 1HZ LYS 41 33.195 -12.115 -14.317 390 2HZ LYS 41 2HZ LYS 41 31.738 -11.732 -14.944 391 3HZ LYS 41 3HZ LYS 41 33.103 -11.310 -15.734 392 H LYS 42 HN LYS 42 26.613 -6.537 -13.564 393 HA LYS 42 HA LYS 42 27.398 -6.872 -10.882 394 1HB LYS 42 2HB LYS 42 25.787 -5.059 -12.457 395 2HB LYS 42 3HB LYS 42 24.949 -5.464 -10.972 396 1HG LYS 42 2HG LYS 42 27.447 -5.083 -9.955 397 2HG LYS 42 3HG LYS 42 27.563 -4.035 -11.355 398 1HD LYS 42 2HD LYS 42 25.009 -3.718 -9.890 399 2HD LYS 42 3HD LYS 42 26.410 -3.358 -8.901 400 1HE LYS 42 2HE LYS 42 27.121 -2.047 -11.202 401 2HE LYS 42 3HE LYS 42 25.376 -1.929 -11.321 402 1HZ LYS 42 1HZ LYS 42 26.804 -0.245 -9.936 403 2HZ LYS 42 2HZ LYS 42 25.275 -0.630 -9.506 404 3HZ LYS 42 3HZ LYS 42 26.539 -1.332 -8.747 405 HA PRO 43 HA PRO 43 24.754 -10.206 -9.958 406 1HB PRO 43 2HB PRO 43 25.498 -10.542 -7.350 407 2HB PRO 43 3HB PRO 43 26.375 -11.244 -8.694 408 1HG PRO 43 2HG PRO 43 27.099 -8.916 -7.022 409 2HG PRO 43 3HG PRO 43 28.126 -9.881 -8.064 410 1HD PRO 43 2HD PRO 43 27.082 -7.269 -8.627 411 2HD PRO 43 3HD PRO 43 28.012 -8.282 -9.712 412 H ARG 44 HN ARG 44 22.721 -9.349 -10.255 413 HA ARG 44 HA ARG 44 20.798 -8.596 -9.622 414 1HB ARG 44 2HB ARG 44 21.770 -10.014 -7.336 415 2HB ARG 44 3HB ARG 44 21.027 -8.556 -6.710 416 1HG ARG 44 2HG ARG 44 18.906 -9.066 -7.699 417 2HG ARG 44 3HG ARG 44 19.598 -10.248 -8.791 418 1HD ARG 44 2HD ARG 44 20.083 -11.775 -6.914 419 2HD ARG 44 3HD ARG 44 19.565 -10.570 -5.752 420 HE ARG 44 HE ARG 44 17.305 -11.009 -6.297 421 1HH1 ARG 44 2HH2 ARG 44 19.457 -12.668 -8.534 422 2HH1 ARG 44 1HH2 ARG 44 18.201 -13.648 -9.215 423 1HH2 ARG 44 2HH1 ARG 44 15.649 -12.302 -7.196 424 2HH2 ARG 44 1HH1 ARG 44 16.021 -13.438 -8.448 425 H GLY 45 HN GLY 45 20.971 -6.418 -10.310 426 1HA GLY 45 1HA GLY 45 21.716 -4.488 -8.195 427 2HA GLY 45 2HA GLY 45 22.190 -4.293 -9.870 428 HA PRO 46 HA PRO 46 22.059 -2.312 -9.281 429 1HB PRO 46 2HB PRO 46 21.314 0.121 -8.284 430 2HB PRO 46 3HB PRO 46 21.531 -0.187 -9.995 431 1HG PRO 46 2HG PRO 46 19.017 0.109 -8.470 432 2HG PRO 46 3HG PRO 46 19.272 0.227 -10.199 433 1HD PRO 46 2HD PRO 46 18.128 -1.987 -8.779 434 2HD PRO 46 3HD PRO 46 18.489 -1.915 -10.492 435 H ARG 47 HN ARG 47 23.431 -1.642 -7.465 436 HA ARG 47 HA ARG 47 22.670 -3.203 -5.261 437 1HB ARG 47 2HB ARG 47 25.063 -2.164 -6.280 438 2HB ARG 47 3HB ARG 47 24.852 -1.243 -4.805 439 1HG ARG 47 2HG ARG 47 24.349 -4.191 -4.594 440 2HG ARG 47 3HG ARG 47 26.012 -3.716 -4.880 441 1HD ARG 47 2HD ARG 47 26.244 -3.112 -2.705 442 2HD ARG 47 3HD ARG 47 24.939 -1.953 -2.861 443 HE ARG 47 HE ARG 47 24.001 -4.717 -2.590 444 1HH1 ARG 47 2HH2 ARG 47 24.990 -1.824 -0.848 445 2HH1 ARG 47 1HH2 ARG 47 24.129 -2.244 0.595 446 1HH2 ARG 47 2HH1 ARG 47 22.864 -5.270 -0.686 447 2HH2 ARG 47 1HH1 ARG 47 22.911 -4.217 0.688 448 H GLY 48 HN GLY 48 22.850 -2.225 -2.913 449 1HA GLY 48 1HA GLY 48 20.774 -0.505 -2.423 450 2HA GLY 48 2HA GLY 48 22.118 -0.797 -1.337 451 HA PRO 49 HA PRO 49 22.267 3.496 -3.174 452 1HB PRO 49 2HB PRO 49 20.799 4.984 -1.413 453 2HB PRO 49 3HB PRO 49 20.167 4.412 -2.944 454 1HG PRO 49 2HG PRO 49 19.613 3.408 -0.220 455 2HG PRO 49 3HG PRO 49 18.698 3.149 -1.691 456 1HD PRO 49 2HD PRO 49 20.457 1.278 -0.415 457 2HD PRO 49 3HD PRO 49 19.632 1.064 -1.946 458 H ARG 50 HN ARG 50 24.381 2.550 -2.311 459 HA ARG 50 HA ARG 50 25.182 2.914 0.210 460 1HB ARG 50 2HB ARG 50 26.512 2.899 -2.454 461 2HB ARG 50 3HB ARG 50 27.453 3.690 -1.204 462 1HG ARG 50 2HG ARG 50 27.050 1.626 0.267 463 2HG ARG 50 3HG ARG 50 26.346 0.846 -1.135 464 1HD ARG 50 2HD ARG 50 28.577 1.472 -2.362 465 2HD ARG 50 3HD ARG 50 29.219 1.776 -0.760 466 HE ARG 50 HE ARG 50 29.168 -0.537 -0.300 467 1HH1 ARG 50 2HH2 ARG 50 27.426 0.141 -3.281 468 2HH1 ARG 50 1HH2 ARG 50 27.294 -1.526 -3.733 469 1HH2 ARG 50 2HH1 ARG 50 28.994 -2.736 -0.896 470 2HH2 ARG 50 1HH1 ARG 50 28.192 -3.173 -2.368 471 HA PRO 51 HA PRO 51 25.300 7.232 0.844 472 1HB PRO 51 2HB PRO 51 26.912 7.374 3.046 473 2HB PRO 51 3HB PRO 51 25.208 6.973 3.131 474 1HG PRO 51 2HG PRO 51 27.547 5.187 3.403 475 2HG PRO 51 3HG PRO 51 25.889 4.906 3.894 476 1HD PRO 51 2HD PRO 51 27.201 3.820 1.587 477 2HD PRO 51 3HD PRO 51 25.512 3.634 2.017 478 H GLN 52 HN GLN 52 26.155 8.212 -0.931 479 HA GLN 52 HA GLN 52 28.945 8.841 -0.552 480 1HB GLN 52 2HB GLN 52 27.892 7.090 -2.695 481 2HB GLN 52 3HB GLN 52 28.866 8.416 -3.297 482 1HG GLN 52 2HG GLN 52 29.948 6.947 -0.914 483 2HG GLN 52 3HG GLN 52 29.930 6.064 -2.428 484 1HE2 GLN 52 1HE2 GLN 52 31.826 7.815 -0.530 485 2HE2 GLN 52 2HE2 GLN 52 32.883 8.589 -1.663 486 H THR 53 HN THR 53 29.377 10.973 -1.072 487 HA THR 53 HA THR 53 27.285 12.378 -2.602 488 HB THR 53 HB THR 53 27.227 12.862 -0.132 489 HG1 THR 53 HG1 THR 53 27.633 15.245 -0.580 490 1HG2 THR 53 1HG2 THR 53 30.143 13.269 -0.636 491 2HG2 THR 53 2HG2 THR 53 29.355 14.585 0.269 492 3HG2 THR 53 3HG2 THR 53 29.299 12.918 0.892 493 H SER 54 HN SER 54 27.937 14.010 -4.042 494 HA SER 54 HA SER 54 30.811 13.967 -4.544 495 1HB SER 54 2HB SER 54 29.610 12.710 -6.292 496 2HB SER 54 3HB SER 54 28.529 14.063 -6.566 497 HG SER 54 HG SER 54 31.238 13.716 -7.347 498 H LEU 55 HN LEU 55 31.629 15.995 -5.655 499 HA LEU 55 HA LEU 55 30.674 18.267 -4.315 500 1HB LEU 55 2HB LEU 55 32.965 17.513 -5.649 501 2HB LEU 55 3HB LEU 55 32.297 18.743 -6.703 502 HG LEU 55 HG LEU 55 32.197 19.652 -3.962 503 1HD1 LEU 55 1HD1 LEU 55 34.187 17.928 -4.008 504 2HD1 LEU 55 2HD1 LEU 55 35.038 19.264 -4.820 505 3HD1 LEU 55 3HD1 LEU 55 34.351 19.503 -3.194 506 1HD2 LEU 55 1HD2 LEU 55 32.508 20.720 -6.491 507 2HD2 LEU 55 2HD2 LEU 55 32.648 21.601 -4.950 508 3HD2 LEU 55 3HD2 LEU 55 34.106 20.964 -5.746 509 H LEU 56 HN LEU 56 28.655 19.056 -4.671 510 HA LEU 56 HA LEU 56 27.929 19.476 -7.487 511 1HB LEU 56 2HB LEU 56 26.627 17.888 -5.559 512 2HB LEU 56 3HB LEU 56 25.647 19.329 -5.737 513 HG LEU 56 HG LEU 56 26.093 18.730 -8.353 514 1HD1 LEU 56 1HD1 LEU 56 27.005 16.437 -7.003 515 2HD1 LEU 56 2HD1 LEU 56 25.414 16.010 -7.679 516 3HD1 LEU 56 3HD1 LEU 56 26.696 16.632 -8.747 517 1HD2 LEU 56 1HD2 LEU 56 23.898 19.027 -8.087 518 2HD2 LEU 56 2HD2 LEU 56 23.813 17.272 -7.804 519 3HD2 LEU 56 3HD2 LEU 56 23.922 18.391 -6.425 Start of MODEL 19 1 1H5* C 504 1H5* C 504 36.717 -9.463 -3.831 2 2H5* C 504 2H5* C 504 38.143 -8.509 -4.240 3 H4* C 504 H4* C 504 38.627 -10.714 -4.898 4 H3* C 504 H3* C 504 38.030 -8.871 -7.164 5 H2* C 504 H2* C 504 37.300 -10.686 -8.373 6 2HO* C 504 2HO* C 504 39.198 -11.018 -9.369 7 H1* C 504 H1* C 504 38.274 -12.989 -7.041 8 1H4 C 504 1H4 C 504 32.086 -14.007 -5.960 9 2H4 C 504 2H4 C 504 31.746 -12.304 -6.167 10 H5 C 504 H5 C 504 33.406 -10.666 -6.541 11 H6 C 504 H6 C 504 35.827 -10.258 -6.812 12 1H5* C 505 1H5* C 505 38.612 -7.648 -8.633 13 2H5* C 505 2H5* C 505 39.620 -9.037 -9.037 14 H4* C 505 H4* C 505 40.861 -6.683 -10.088 15 H3* C 505 H3* C 505 37.915 -6.657 -10.364 16 H2* C 505 H2* C 505 37.947 -6.419 -12.715 17 2HO* C 505 2HO* C 505 40.806 -6.374 -12.571 18 H1* C 505 H1* C 505 39.681 -8.468 -13.226 19 1H4 C 505 1H4 C 505 34.200 -11.676 -12.879 20 2H4 C 505 2H4 C 505 34.085 -11.350 -11.164 21 H5 C 505 H5 C 505 35.633 -10.025 -9.970 22 H6 C 505 H6 C 505 37.692 -8.673 -10.129 23 1H5* U 506 1H5* U 506 40.263 -2.515 -10.446 24 2H5* U 506 2H5* U 506 39.622 -1.210 -9.448 25 H4* U 506 H4* U 506 38.329 -0.862 -11.260 26 H3* U 506 H3* U 506 36.845 -3.058 -9.807 27 H2* U 506 H2* U 506 35.265 -3.078 -11.496 28 2HO* U 506 2HO* U 506 34.621 -1.006 -11.668 29 H1* U 506 H1* U 506 37.302 -2.023 -13.396 30 H3 U 506 H3 U 506 36.851 -5.318 -16.394 31 H5 U 506 H5 U 506 35.192 -7.003 -12.936 32 H6 U 506 H6 U 506 35.849 -4.963 -11.746 33 1H5* C 507 1H5* C 507 34.828 1.057 -10.714 34 2H5* C 507 2H5* C 507 34.537 1.469 -9.025 35 H4* C 507 H4* C 507 32.947 2.252 -11.030 36 H3* C 507 H3* C 507 32.271 1.674 -8.155 37 H2* C 507 H2* C 507 30.012 2.270 -8.578 38 2HO* C 507 2HO* C 507 31.043 2.946 -11.183 39 H1* C 507 H1* C 507 29.859 0.720 -10.914 40 1H4 C 507 1H4 C 507 27.502 -2.862 -6.140 41 2H4 C 507 2H4 C 507 29.082 -3.598 -5.994 42 H5 C 507 H5 C 507 30.991 -2.868 -7.178 43 H6 C 507 H6 C 507 31.861 -1.232 -8.810 44 1H5* C 508 1H5* C 508 33.770 6.303 -5.957 45 2H5* C 508 2H5* C 508 32.151 6.834 -6.410 46 H4* C 508 H4* C 508 33.345 8.766 -6.697 47 H3* C 508 H3* C 508 33.161 7.345 -9.314 48 H2* C 508 H2* C 508 34.522 8.975 -10.390 49 2HO* C 508 2HO* C 508 34.666 10.940 -9.398 50 H1* C 508 H1* C 508 36.521 8.839 -8.440 51 1H4 C 508 1H4 C 508 38.708 3.984 -11.958 52 2H4 C 508 2H4 C 508 37.201 3.958 -12.847 53 H5 C 508 H5 C 508 35.338 5.310 -12.318 54 H6 C 508 H6 C 508 34.452 7.034 -10.790 55 1H5* G 509 1H5* G 509 31.497 10.497 -10.410 56 2H5* G 509 2H5* G 509 30.202 11.591 -9.921 57 H4* G 509 H4* G 509 29.826 11.543 -12.160 58 H3* G 509 H3* G 509 28.250 9.208 -11.072 59 H2* G 509 H2* G 509 27.381 8.851 -13.248 60 2HO* G 509 2HO* G 509 27.121 11.101 -13.647 61 H1* G 509 H1* G 509 29.957 9.252 -14.433 62 H8 G 509 H8 G 509 28.991 6.980 -11.491 63 H1 G 509 H1 G 509 30.196 3.956 -17.084 64 1H2 G 509 1H2 G 509 30.613 5.351 -18.545 65 2H2 G 509 2H2 G 509 30.631 7.082 -18.292 66 1H5* U 510 1H5* U 510 25.277 12.126 -8.795 67 2H5* U 510 2H5* U 510 25.730 10.960 -7.551 68 H4* U 510 H4* U 510 23.248 11.259 -8.044 69 H3* U 510 H3* U 510 24.571 8.543 -7.985 70 H2* U 510 H2* U 510 22.436 7.562 -8.142 71 2HO* U 510 2HO* U 510 21.311 8.801 -6.695 72 H1* U 510 H1* U 510 21.557 9.604 -9.995 73 H3 U 510 H3 U 510 20.796 5.943 -12.511 74 H5 U 510 H5 U 510 24.958 5.942 -12.045 75 H6 U 510 H6 U 510 24.688 7.834 -10.508 76 1H ALA 1 HN ALA 1 35.717 -27.330 -12.786 77 HA ALA 1 HA ALA 1 35.651 -29.750 -14.372 78 1HB ALA 1 1HB ALA 1 35.995 -28.712 -16.334 79 2HB ALA 1 2HB ALA 1 36.057 -27.124 -15.533 80 3HB ALA 1 3HB ALA 1 37.537 -28.101 -15.690 81 H THR 2 HN THR 2 37.416 -31.056 -13.920 82 HA THR 2 HA THR 2 39.414 -29.863 -12.113 83 HB THR 2 HB THR 2 37.814 -31.575 -11.125 84 HG1 THR 2 HG1 THR 2 40.105 -31.263 -10.456 85 1HG2 THR 2 1HG2 THR 2 38.586 -34.003 -11.764 86 2HG2 THR 2 2HG2 THR 2 37.411 -33.200 -12.833 87 3HG2 THR 2 3HG2 THR 2 39.130 -33.266 -13.290 88 H VAL 3 HN VAL 3 41.597 -30.258 -12.435 89 HA VAL 3 HA VAL 3 43.407 -30.525 -13.679 90 HB VAL 3 HB VAL 3 41.982 -33.048 -14.551 91 1HG1 VAL 3 1HG1 VAL 3 44.968 -32.732 -14.323 92 2HG1 VAL 3 2HG1 VAL 3 44.021 -33.908 -15.266 93 3HG1 VAL 3 3HG1 VAL 3 44.118 -32.212 -15.798 94 1HG2 VAL 3 1HG2 VAL 3 44.004 -33.398 -12.507 95 2HG2 VAL 3 2HG2 VAL 3 42.757 -32.249 -11.966 96 3HG2 VAL 3 3HG2 VAL 3 42.290 -33.881 -12.504 97 H VAL 4 HN VAL 4 42.814 -28.587 -14.917 98 HA VAL 4 HA VAL 4 42.319 -29.305 -17.712 99 HB VAL 4 HB VAL 4 40.228 -28.503 -16.634 100 1HG1 VAL 4 1HG1 VAL 4 40.783 -26.956 -15.002 101 2HG1 VAL 4 2HG1 VAL 4 41.972 -26.128 -16.038 102 3HG1 VAL 4 3HG1 VAL 4 40.229 -25.898 -16.321 103 1HG2 VAL 4 1HG2 VAL 4 39.945 -28.089 -18.833 104 2HG2 VAL 4 2HG2 VAL 4 40.159 -26.386 -18.363 105 3HG2 VAL 4 3HG2 VAL 4 41.539 -27.314 -18.997 106 H SER 5 HN SER 5 43.524 -28.104 -19.209 107 HA SER 5 HA SER 5 45.943 -27.223 -18.470 108 1HB SER 5 2HB SER 5 46.148 -26.266 -20.667 109 2HB SER 5 3HB SER 5 45.084 -27.651 -20.819 110 HG SER 5 HG SER 5 44.565 -25.184 -21.619 111 H GLY 6 HN GLY 6 46.587 -25.588 -17.121 112 1HA GLY 6 1HA GLY 6 44.811 -23.260 -16.825 113 2HA GLY 6 2HA GLY 6 46.020 -23.809 -15.682 114 H GLN 7 HN GLN 7 45.809 -21.102 -16.680 115 HA GLN 7 HA GLN 7 48.310 -20.997 -18.180 116 1HB GLN 7 2HB GLN 7 47.501 -18.957 -19.293 117 2HB GLN 7 3HB GLN 7 46.406 -20.290 -19.596 118 1HG GLN 7 2HG GLN 7 45.223 -19.324 -17.360 119 2HG GLN 7 3HG GLN 7 46.000 -17.845 -17.888 120 1HE2 GLN 7 1HE2 GLN 7 43.216 -18.327 -17.746 121 2HE2 GLN 7 2HE2 GLN 7 42.538 -18.208 -19.336 122 H LYS 8 HN LYS 8 49.890 -19.529 -17.444 123 HA LYS 8 HA LYS 8 49.211 -18.242 -14.895 124 1HB LYS 8 2HB LYS 8 51.427 -19.910 -15.751 125 2HB LYS 8 3HB LYS 8 52.008 -18.360 -15.174 126 1HG LYS 8 2HG LYS 8 49.853 -19.590 -13.512 127 2HG LYS 8 3HG LYS 8 51.361 -20.481 -13.538 128 1HD LYS 8 2HD LYS 8 52.213 -19.018 -12.032 129 2HD LYS 8 3HD LYS 8 52.114 -17.755 -13.244 130 1HE LYS 8 2HE LYS 8 49.493 -17.835 -12.434 131 2HE LYS 8 3HE LYS 8 50.281 -18.334 -10.950 132 1HZ LYS 8 1HZ LYS 8 51.414 -16.363 -10.818 133 2HZ LYS 8 2HZ LYS 8 51.284 -16.018 -12.409 134 3HZ LYS 8 3HZ LYS 8 49.985 -15.862 -11.433 135 H GLN 9 HN GLN 9 50.802 -16.251 -14.508 136 HA GLN 9 HA GLN 9 51.313 -14.210 -15.041 137 1HB GLN 9 2HB GLN 9 52.750 -15.568 -16.786 138 2HB GLN 9 3HB GLN 9 51.631 -14.919 -17.968 139 1HG GLN 9 2HG GLN 9 52.173 -12.614 -16.669 140 2HG GLN 9 3HG GLN 9 53.647 -13.470 -16.261 141 1HE2 GLN 9 1HE2 GLN 9 54.972 -14.313 -17.947 142 2HE2 GLN 9 2HE2 GLN 9 54.998 -13.583 -19.518 143 H ASP 10 HN ASP 10 49.969 -12.453 -15.194 144 HA ASP 10 HA ASP 10 48.174 -12.267 -17.396 145 1HB ASP 10 2HB ASP 10 46.212 -11.860 -15.702 146 2HB ASP 10 3HB ASP 10 46.625 -13.506 -16.139 147 H ARG 11 HN ARG 11 47.943 -10.047 -17.847 148 HA ARG 11 HA ARG 11 49.436 -8.210 -16.531 149 1HB ARG 11 2HB ARG 11 47.891 -8.225 -18.808 150 2HB ARG 11 3HB ARG 11 46.917 -7.184 -17.790 151 1HG ARG 11 2HG ARG 11 49.759 -6.485 -17.579 152 2HG ARG 11 3HG ARG 11 49.232 -6.453 -19.250 153 1HD ARG 11 2HD ARG 11 47.481 -5.147 -17.155 154 2HD ARG 11 3HD ARG 11 48.928 -4.310 -17.681 155 HE ARG 11 HE ARG 11 47.663 -5.125 -20.048 156 1HH1 ARG 11 2HH2 ARG 11 46.822 -3.119 -17.282 157 2HH1 ARG 11 1HH2 ARG 11 45.747 -2.102 -18.184 158 1HH2 ARG 11 2HH1 ARG 11 46.246 -3.785 -21.238 159 2HH2 ARG 11 1HH1 ARG 11 45.418 -2.484 -20.450 160 H GLN 12 HN GLN 12 49.058 -6.671 -14.864 161 HA GLN 12 HA GLN 12 46.485 -6.204 -13.861 162 1HB GLN 12 2HB GLN 12 46.828 -8.487 -12.912 163 2HB GLN 12 3HB GLN 12 48.294 -7.942 -12.123 164 1HG GLN 12 2HG GLN 12 47.115 -7.074 -10.390 165 2HG GLN 12 3HG GLN 12 46.135 -6.106 -11.476 166 1HE2 GLN 12 1HE2 GLN 12 44.279 -6.438 -10.302 167 2HE2 GLN 12 2HE2 GLN 12 43.407 -7.936 -10.285 168 H GLY 13 HN GLY 13 46.914 -4.009 -13.829 169 1HA GLY 13 1HA GLY 13 48.018 -2.693 -11.787 170 2HA GLY 13 2HA GLY 13 49.437 -3.045 -12.753 171 H GLY 14 HN GLY 14 47.392 -0.604 -12.124 172 1HA GLY 14 1HA GLY 14 47.819 0.616 -14.736 173 2HA GLY 14 2HA GLY 14 46.152 0.427 -14.229 174 H GLU 15 HN GLU 15 47.952 2.880 -14.603 175 HA GLU 15 HA GLU 15 48.063 3.856 -11.890 176 1HB GLU 15 2HB GLU 15 49.363 4.514 -14.454 177 2HB GLU 15 3HB GLU 15 48.836 5.943 -13.588 178 1HG GLU 15 2HG GLU 15 50.352 5.641 -11.883 179 2HG GLU 15 3HG GLU 15 50.147 3.900 -11.866 180 H ARG 16 HN ARG 16 46.717 4.931 -15.100 181 HA ARG 16 HA ARG 16 45.127 6.892 -13.889 182 1HB ARG 16 2HB ARG 16 45.029 5.585 -16.652 183 2HB ARG 16 3HB ARG 16 44.006 6.933 -16.202 184 1HG ARG 16 2HG ARG 16 46.521 7.834 -15.418 185 2HG ARG 16 3HG ARG 16 46.901 6.899 -16.849 186 1HD ARG 16 2HD ARG 16 46.259 8.704 -18.077 187 2HD ARG 16 3HD ARG 16 44.609 8.337 -17.614 188 HE ARG 16 HE ARG 16 45.463 9.759 -15.442 189 1HH1 ARG 16 2HH2 ARG 16 45.728 10.394 -18.893 190 2HH1 ARG 16 1HH2 ARG 16 45.715 12.115 -18.707 191 1HH2 ARG 16 2HH1 ARG 16 45.447 12.031 -15.197 192 2HH2 ARG 16 1HH1 ARG 16 45.555 13.053 -16.590 193 H ARG 17 HN ARG 17 42.776 6.919 -13.635 194 HA ARG 17 HA ARG 17 41.750 4.235 -13.265 195 1HB ARG 17 2HB ARG 17 40.878 6.946 -12.156 196 2HB ARG 17 3HB ARG 17 39.945 5.482 -11.909 197 1HG ARG 17 2HG ARG 17 42.811 5.127 -11.266 198 2HG ARG 17 3HG ARG 17 42.054 6.375 -10.298 199 1HD ARG 17 2HD ARG 17 41.032 4.800 -9.022 200 2HD ARG 17 3HD ARG 17 40.216 4.155 -10.433 201 HE ARG 17 HE ARG 17 41.777 2.413 -10.510 202 1HH1 ARG 17 2HH2 ARG 17 43.057 5.014 -8.516 203 2HH1 ARG 17 1HH2 ARG 17 44.434 4.104 -7.989 204 1HH2 ARG 17 2HH1 ARG 17 43.593 1.212 -9.815 205 2HH2 ARG 17 1HH1 ARG 17 44.741 1.928 -8.732 206 H ARG 18 HN ARG 18 40.436 7.517 -14.171 207 HA ARG 18 HA ARG 18 38.564 6.147 -15.894 208 1HB ARG 18 2HB ARG 18 38.711 9.088 -15.054 209 2HB ARG 18 3HB ARG 18 37.416 8.379 -15.998 210 1HG ARG 18 2HG ARG 18 36.500 7.264 -14.180 211 2HG ARG 18 3HG ARG 18 38.054 7.000 -13.415 212 1HD ARG 18 2HD ARG 18 36.817 8.607 -12.063 213 2HD ARG 18 3HD ARG 18 38.145 9.459 -12.827 214 HE ARG 18 HE ARG 18 35.665 9.519 -14.394 215 1HH1 ARG 18 2HH2 ARG 18 37.525 11.102 -11.862 216 2HH1 ARG 18 1HH2 ARG 18 36.749 12.636 -12.072 217 1HH2 ARG 18 2HH1 ARG 18 34.640 11.543 -14.673 218 2HH2 ARG 18 1HH1 ARG 18 35.096 12.888 -13.683 219 H SER 19 HN SER 19 41.418 6.317 -16.618 220 HA SER 19 HA SER 19 42.307 8.270 -18.111 221 1HB SER 19 2HB SER 19 42.909 5.600 -17.875 222 2HB SER 19 3HB SER 19 42.405 5.659 -19.552 223 HG SER 19 HG SER 19 44.785 6.325 -18.604 224 H GLN 20 HN GLN 20 39.897 5.814 -19.281 225 HA GLN 20 HA GLN 20 39.037 7.813 -21.206 226 1HB GLN 20 2HB GLN 20 40.132 5.117 -21.765 227 2HB GLN 20 3HB GLN 20 38.600 5.429 -22.557 228 1HG GLN 20 2HG GLN 20 39.640 6.722 -24.100 229 2HG GLN 20 3HG GLN 20 40.191 7.807 -22.839 230 1HE2 GLN 20 1HE2 GLN 20 41.287 6.313 -25.365 231 2HE2 GLN 20 2HE2 GLN 20 42.874 5.808 -24.887 232 H LEU 21 HN LEU 21 37.776 7.587 -18.800 233 HA LEU 21 HA LEU 21 35.711 5.599 -18.924 234 1HB LEU 21 2HB LEU 21 36.887 6.616 -16.862 235 2HB LEU 21 3HB LEU 21 35.795 7.969 -17.079 236 HG LEU 21 HG LEU 21 35.272 5.243 -16.064 237 1HD1 LEU 21 1HD1 LEU 21 34.889 7.950 -15.261 238 2HD1 LEU 21 2HD1 LEU 21 33.295 7.160 -15.330 239 3HD1 LEU 21 3HD1 LEU 21 34.596 6.457 -14.339 240 1HD2 LEU 21 1HD2 LEU 21 34.010 5.014 -18.086 241 2HD2 LEU 21 2HD2 LEU 21 32.872 5.322 -16.753 242 3HD2 LEU 21 3HD2 LEU 21 33.290 6.629 -17.886 243 H ASP 22 HN ASP 22 34.846 6.108 -21.064 244 HA ASP 22 HA ASP 22 33.940 8.566 -21.801 245 1HB ASP 22 2HB ASP 22 33.803 5.918 -22.768 246 2HB ASP 22 3HB ASP 22 32.124 6.395 -22.621 247 H ARG 23 HN ARG 23 31.655 9.423 -21.856 248 HA ARG 23 HA ARG 23 30.464 9.224 -19.355 249 1HB ARG 23 2HB ARG 23 30.365 11.192 -21.000 250 2HB ARG 23 3HB ARG 23 29.182 10.283 -21.921 251 1HG ARG 23 2HG ARG 23 28.053 11.853 -20.380 252 2HG ARG 23 3HG ARG 23 27.672 10.196 -19.953 253 1HD ARG 23 2HD ARG 23 28.581 10.449 -17.884 254 2HD ARG 23 3HD ARG 23 30.096 11.016 -18.558 255 HE ARG 23 HE ARG 23 28.535 13.236 -18.844 256 1HH1 ARG 23 2HH2 ARG 23 29.033 11.087 -16.104 257 2HH1 ARG 23 1HH2 ARG 23 28.745 12.318 -14.921 258 1HH2 ARG 23 2HH1 ARG 23 28.155 14.863 -17.285 259 2HH2 ARG 23 1HH1 ARG 23 28.242 14.481 -15.597 260 H ASP 24 HN ASP 24 30.419 7.083 -21.984 261 HA ASP 24 HA ASP 24 27.908 5.965 -21.025 262 1HB ASP 24 2HB ASP 24 28.602 6.852 -23.708 263 2HB ASP 24 3HB ASP 24 28.345 5.119 -23.729 264 H GLN 25 HN GLN 25 30.853 5.517 -20.398 265 HA GLN 25 HA GLN 25 31.123 2.826 -21.485 266 1HB GLN 25 2HB GLN 25 33.001 5.007 -21.157 267 2HB GLN 25 3HB GLN 25 33.539 3.653 -20.186 268 1HG GLN 25 2HG GLN 25 33.105 2.181 -22.287 269 2HG GLN 25 3HG GLN 25 32.974 3.685 -23.178 270 1HE2 GLN 25 1HE2 GLN 25 34.748 3.870 -24.326 271 2HE2 GLN 25 2HE2 GLN 25 36.378 3.751 -23.751 272 H CYS 26 HN CYS 26 30.670 1.173 -20.100 273 HA CYS 26 HA CYS 26 29.880 1.552 -17.511 274 1HB CYS 26 2HB CYS 26 29.365 -0.461 -18.816 275 2HB CYS 26 3HB CYS 26 31.044 -0.957 -18.765 276 H ALA 27 HN ALA 27 30.955 1.720 -15.534 277 HA ALA 27 HA ALA 27 33.876 1.765 -15.700 278 1HB ALA 27 1HB ALA 27 33.148 2.763 -13.223 279 2HB ALA 27 2HB ALA 27 33.452 3.741 -14.680 280 3HB ALA 27 3HB ALA 27 31.789 3.267 -14.257 281 H TYR 28 HN TYR 28 32.315 -0.754 -15.682 282 HA TYR 28 HA TYR 28 33.320 -1.797 -13.123 283 1HB TYR 28 2HB TYR 28 30.720 -1.514 -13.544 284 2HB TYR 28 3HB TYR 28 30.902 -2.770 -14.753 285 HD1 TYR 28 HD1 TYR 28 30.793 -2.028 -11.173 286 HD2 TYR 28 HD2 TYR 28 31.454 -5.090 -14.087 287 HE1 TYR 28 HE1 TYR 28 30.512 -3.806 -9.379 288 HE2 TYR 28 HE2 TYR 28 31.171 -6.858 -12.283 289 HH TYR 28 HH TYR 28 31.385 -7.046 -9.901 290 H CYS 29 HN CYS 29 31.994 -2.956 -16.310 291 HA CYS 29 HA CYS 29 34.000 -5.040 -16.277 292 1HB CYS 29 2HB CYS 29 32.776 -5.930 -18.233 293 2HB CYS 29 3HB CYS 29 31.746 -5.725 -16.831 294 H LYS 30 HN LYS 30 33.192 -1.928 -17.768 295 HA LYS 30 HA LYS 30 34.664 -0.560 -18.812 296 1HB LYS 30 2HB LYS 30 36.442 -2.466 -18.134 297 2HB LYS 30 3HB LYS 30 36.426 -2.718 -19.867 298 1HG LYS 30 2HG LYS 30 37.738 -0.896 -20.151 299 2HG LYS 30 3HG LYS 30 36.491 0.119 -19.456 300 1HD LYS 30 2HD LYS 30 37.442 -0.826 -17.143 301 2HD LYS 30 3HD LYS 30 38.874 -1.154 -18.099 302 1HE LYS 30 2HE LYS 30 38.187 1.456 -18.868 303 2HE LYS 30 3HE LYS 30 37.802 1.435 -17.159 304 1HZ LYS 30 1HZ LYS 30 39.940 1.473 -16.701 305 2HZ LYS 30 2HZ LYS 30 40.248 0.144 -17.600 306 3HZ LYS 30 3HZ LYS 30 40.288 1.624 -18.289 307 H GLU 31 HN GLU 31 32.248 -2.062 -19.696 308 HA GLU 31 HA GLU 31 32.836 -2.214 -22.543 309 1HB GLU 31 2HB GLU 31 31.570 -4.060 -20.997 310 2HB GLU 31 3HB GLU 31 30.181 -3.107 -21.481 311 1HG GLU 31 2HG GLU 31 31.967 -3.602 -23.759 312 2HG GLU 31 3HG GLU 31 31.477 -5.106 -23.006 313 H LYS 32 HN LYS 32 31.973 -0.716 -23.953 314 HA LYS 32 HA LYS 32 30.470 1.443 -22.747 315 1HB LYS 32 2HB LYS 32 30.918 2.618 -24.838 316 2HB LYS 32 3HB LYS 32 32.396 1.970 -24.151 317 1HG LYS 32 2HG LYS 32 32.579 0.273 -25.785 318 2HG LYS 32 3HG LYS 32 30.865 0.292 -26.151 319 1HD LYS 32 2HD LYS 32 31.069 2.458 -27.292 320 2HD LYS 32 3HD LYS 32 32.740 2.617 -26.788 321 1HE LYS 32 2HE LYS 32 32.789 1.845 -29.074 322 2HE LYS 32 3HE LYS 32 33.257 0.478 -28.082 323 1HZ LYS 32 1HZ LYS 32 30.906 0.839 -29.661 324 2HZ LYS 32 2HZ LYS 32 31.646 -0.540 -29.193 325 3HZ LYS 32 3HZ LYS 32 30.609 0.214 -28.181 326 H GLY 33 HN GLY 33 28.335 1.960 -23.179 327 1HA GLY 33 1HA GLY 33 26.564 1.671 -24.933 328 2HA GLY 33 2HA GLY 33 26.868 -0.048 -24.779 329 H HIS 34 HN HIS 34 27.452 0.280 -21.784 330 HA HIS 34 HA HIS 34 24.773 0.957 -20.861 331 1HB HIS 34 2HB HIS 34 24.488 -1.081 -19.674 332 2HB HIS 34 3HB HIS 34 24.870 -1.491 -21.335 333 HD1 HIS 34 HD1 HIS 34 27.028 -2.819 -21.784 334 HD2 HIS 34 HD2 HIS 34 26.581 -1.650 -17.780 335 HE1 HIS 34 HE1 HIS 34 28.812 -4.082 -20.467 336 H TRP 35 HN TRP 35 24.697 1.322 -18.481 337 HA TRP 35 HA TRP 35 27.217 2.498 -17.630 338 1HB TRP 35 2HB TRP 35 24.344 2.897 -17.015 339 2HB TRP 35 3HB TRP 35 25.465 3.152 -15.692 340 HD1 TRP 35 HD1 TRP 35 26.151 4.156 -19.394 341 HE1 TRP 35 HE1 TRP 35 26.560 6.755 -19.593 342 HE3 TRP 35 HE3 TRP 35 25.132 5.220 -14.527 343 HZ2 TRP 35 HZ2 TRP 35 26.417 8.916 -17.734 344 HZ3 TRP 35 HZ3 TRP 35 25.291 7.599 -13.801 345 HH2 TRP 35 HH2 TRP 35 25.907 9.416 -15.315 346 H ALA 36 HN ALA 36 27.936 2.104 -15.335 347 HA ALA 36 HA ALA 36 28.197 -0.626 -14.843 348 1HB ALA 36 1HB ALA 36 29.815 1.058 -14.104 349 2HB ALA 36 2HB ALA 36 28.598 1.788 -13.029 350 3HB ALA 36 3HB ALA 36 29.204 0.147 -12.701 351 H LYS 37 HN LYS 37 25.803 1.799 -13.802 352 HA LYS 37 HA LYS 37 24.735 0.251 -11.696 353 1HB LYS 37 2HB LYS 37 23.787 2.641 -13.272 354 2HB LYS 37 3HB LYS 37 22.746 1.864 -12.095 355 1HG LYS 37 2HG LYS 37 25.180 2.094 -10.723 356 2HG LYS 37 3HG LYS 37 25.118 3.573 -11.662 357 1HD LYS 37 2HD LYS 37 22.910 4.138 -10.740 358 2HD LYS 37 3HD LYS 37 22.807 2.589 -9.926 359 1HE LYS 37 2HE LYS 37 24.896 3.217 -8.608 360 2HE LYS 37 3HE LYS 37 24.823 4.808 -9.339 361 1HZ LYS 37 1HZ LYS 37 23.718 4.734 -7.209 362 2HZ LYS 37 2HZ LYS 37 22.649 5.099 -8.389 363 3HZ LYS 37 3HZ LYS 37 22.672 3.599 -7.742 364 H ASP 38 HN ASP 38 24.810 -0.250 -15.047 365 HA ASP 38 HA ASP 38 22.485 -1.981 -14.788 366 1HB ASP 38 2HB ASP 38 22.598 0.245 -16.438 367 2HB ASP 38 3HB ASP 38 23.151 -1.013 -17.525 368 H CYS 39 HN CYS 39 25.551 -2.243 -14.523 369 HA CYS 39 HA CYS 39 26.579 -3.464 -16.800 370 1HB CYS 39 2HB CYS 39 27.928 -2.589 -14.892 371 2HB CYS 39 3HB CYS 39 27.387 -3.938 -13.913 372 HA PRO 40 HA PRO 40 24.422 -7.262 -16.518 373 1HB PRO 40 2HB PRO 40 25.689 -8.609 -18.530 374 2HB PRO 40 3HB PRO 40 24.371 -7.488 -18.810 375 1HG PRO 40 2HG PRO 40 27.262 -7.106 -19.290 376 2HG PRO 40 3HG PRO 40 25.913 -6.197 -19.939 377 1HD PRO 40 2HD PRO 40 27.673 -5.382 -17.826 378 2HD PRO 40 3HD PRO 40 26.254 -4.526 -18.396 379 H LYS 41 HN LYS 41 27.422 -6.677 -15.445 380 HA LYS 41 HA LYS 41 27.929 -9.490 -14.838 381 1HB LYS 41 2HB LYS 41 29.588 -7.184 -15.408 382 2HB LYS 41 3HB LYS 41 30.024 -7.879 -13.860 383 1HG LYS 41 2HG LYS 41 29.799 -10.185 -15.248 384 2HG LYS 41 3HG LYS 41 30.136 -9.122 -16.601 385 1HD LYS 41 2HD LYS 41 32.336 -9.353 -16.071 386 2HD LYS 41 3HD LYS 41 32.019 -8.299 -14.708 387 1HE LYS 41 2HE LYS 41 33.104 -10.339 -13.895 388 2HE LYS 41 3HE LYS 41 31.455 -10.302 -13.302 389 1HZ LYS 41 1HZ LYS 41 32.647 -12.054 -15.245 390 2HZ LYS 41 2HZ LYS 41 31.456 -12.348 -14.168 391 3HZ LYS 41 3HZ LYS 41 31.118 -11.586 -15.572 392 H LYS 42 HN LYS 42 26.638 -6.539 -13.528 393 HA LYS 42 HA LYS 42 27.291 -6.964 -10.827 394 1HB LYS 42 2HB LYS 42 25.440 -5.233 -12.384 395 2HB LYS 42 3HB LYS 42 25.021 -5.499 -10.703 396 1HG LYS 42 2HG LYS 42 27.845 -5.033 -10.760 397 2HG LYS 42 3HG LYS 42 27.130 -3.829 -11.811 398 1HD LYS 42 2HD LYS 42 25.868 -4.349 -9.109 399 2HD LYS 42 3HD LYS 42 27.330 -3.387 -9.192 400 1HE LYS 42 2HE LYS 42 25.792 -2.285 -11.240 401 2HE LYS 42 3HE LYS 42 24.574 -2.703 -10.051 402 1HZ LYS 42 1HZ LYS 42 26.703 -0.777 -9.870 403 2HZ LYS 42 2HZ LYS 42 25.207 -0.742 -9.218 404 3HZ LYS 42 3HZ LYS 42 26.391 -1.609 -8.500 405 HA PRO 43 HA PRO 43 24.608 -10.388 -10.308 406 1HB PRO 43 2HB PRO 43 25.558 -11.171 -7.869 407 2HB PRO 43 3HB PRO 43 26.263 -11.695 -9.385 408 1HG PRO 43 2HG PRO 43 27.285 -9.702 -7.456 409 2HG PRO 43 3HG PRO 43 28.150 -10.541 -8.730 410 1HD PRO 43 2HD PRO 43 27.233 -7.823 -8.779 411 2HD PRO 43 3HD PRO 43 27.993 -8.696 -10.095 412 H ARG 44 HN ARG 44 25.208 -8.055 -7.749 413 HA ARG 44 HA ARG 44 23.903 -7.260 -6.204 414 1HB ARG 44 2HB ARG 44 21.781 -6.280 -6.982 415 2HB ARG 44 3HB ARG 44 22.988 -6.118 -8.243 416 1HG ARG 44 2HG ARG 44 22.046 -7.899 -9.541 417 2HG ARG 44 3HG ARG 44 21.119 -8.516 -8.188 418 1HD ARG 44 2HD ARG 44 19.354 -7.261 -8.867 419 2HD ARG 44 3HD ARG 44 20.274 -5.813 -8.507 420 HE ARG 44 HE ARG 44 19.834 -6.993 -11.158 421 1HH1 ARG 44 2HH2 ARG 44 21.846 -4.827 -9.251 422 2HH1 ARG 44 1HH2 ARG 44 22.418 -3.941 -10.625 423 1HH2 ARG 44 2HH1 ARG 44 20.588 -5.825 -12.972 424 2HH2 ARG 44 1HH1 ARG 44 21.697 -4.512 -12.755 425 H GLY 45 HN GLY 45 21.294 -7.459 -5.340 426 1HA GLY 45 1HA GLY 45 19.563 -9.137 -5.062 427 2HA GLY 45 2HA GLY 45 20.812 -10.367 -5.087 428 HA PRO 46 HA PRO 46 19.378 -11.325 -3.949 429 1HB PRO 46 2HB PRO 46 17.481 -12.044 -2.118 430 2HB PRO 46 3HB PRO 46 19.056 -12.805 -2.214 431 1HG PRO 46 2HG PRO 46 18.060 -10.851 -0.231 432 2HG PRO 46 3HG PRO 46 19.438 -11.927 -0.116 433 1HD PRO 46 2HD PRO 46 19.501 -9.109 -0.649 434 2HD PRO 46 3HD PRO 46 20.867 -10.206 -0.648 435 H ARG 47 HN ARG 47 17.350 -9.303 -1.866 436 HA ARG 47 HA ARG 47 15.746 -7.933 -2.354 437 1HB ARG 47 2HB ARG 47 17.333 -7.268 -4.321 438 2HB ARG 47 3HB ARG 47 16.280 -8.226 -5.343 439 1HG ARG 47 2HG ARG 47 14.912 -6.263 -3.539 440 2HG ARG 47 3HG ARG 47 15.878 -5.570 -4.827 441 1HD ARG 47 2HD ARG 47 14.072 -7.841 -5.601 442 2HD ARG 47 3HD ARG 47 13.283 -6.338 -5.165 443 HE ARG 47 HE ARG 47 15.440 -5.729 -6.942 444 1HH1 ARG 47 2HH2 ARG 47 12.294 -7.306 -6.972 445 2HH1 ARG 47 1HH2 ARG 47 11.996 -6.962 -8.643 446 1HH2 ARG 47 2HH1 ARG 47 15.046 -5.275 -9.146 447 2HH2 ARG 47 1HH1 ARG 47 13.571 -5.799 -9.888 448 H GLY 48 HN GLY 48 13.681 -8.700 -2.032 449 1HA GLY 48 1HA GLY 48 11.745 -9.791 -2.373 450 2HA GLY 48 2HA GLY 48 12.180 -9.953 -4.062 451 HA PRO 49 HA PRO 49 12.644 -13.988 -1.756 452 1HB PRO 49 2HB PRO 49 10.174 -15.134 -1.993 453 2HB PRO 49 3HB PRO 49 10.712 -14.308 -0.544 454 1HG PRO 49 2HG PRO 49 8.814 -13.379 -2.610 455 2HG PRO 49 3HG PRO 49 9.039 -12.780 -0.978 456 1HD PRO 49 2HD PRO 49 9.965 -11.552 -3.399 457 2HD PRO 49 3HD PRO 49 10.289 -11.018 -1.761 458 H ARG 50 HN ARG 50 12.880 -16.142 -2.638 459 HA ARG 50 HA ARG 50 13.541 -17.347 -4.319 460 1HB ARG 50 2HB ARG 50 10.806 -16.406 -5.261 461 2HB ARG 50 3HB ARG 50 11.744 -17.506 -6.252 462 1HG ARG 50 2HG ARG 50 11.948 -19.035 -4.209 463 2HG ARG 50 3HG ARG 50 10.820 -17.979 -3.381 464 1HD ARG 50 2HD ARG 50 10.211 -19.356 -6.041 465 2HD ARG 50 3HD ARG 50 9.741 -20.001 -4.481 466 HE ARG 50 HE ARG 50 8.852 -17.263 -4.728 467 1HH1 ARG 50 2HH2 ARG 50 8.113 -20.524 -5.825 468 2HH1 ARG 50 1HH2 ARG 50 6.432 -20.193 -6.084 469 1HH2 ARG 50 2HH1 ARG 50 6.636 -16.826 -5.070 470 2HH2 ARG 50 1HH1 ARG 50 5.586 -18.076 -5.651 471 HA PRO 51 HA PRO 51 15.295 -14.133 -6.897 472 1HB PRO 51 2HB PRO 51 17.826 -15.158 -7.003 473 2HB PRO 51 3HB PRO 51 17.300 -14.029 -5.770 474 1HG PRO 51 2HG PRO 51 17.756 -16.941 -5.545 475 2HG PRO 51 3HG PRO 51 17.650 -15.744 -4.268 476 1HD PRO 51 2HD PRO 51 15.624 -17.627 -5.029 477 2HD PRO 51 3HD PRO 51 15.478 -16.355 -3.832 478 H GLN 52 HN GLN 52 14.745 -14.040 -8.972 479 HA GLN 52 HA GLN 52 14.323 -14.752 -10.986 480 1HB GLN 52 2HB GLN 52 16.831 -14.633 -11.048 481 2HB GLN 52 3HB GLN 52 16.907 -16.341 -10.658 482 1HG GLN 52 2HG GLN 52 15.122 -16.258 -12.825 483 2HG GLN 52 3HG GLN 52 16.305 -15.033 -13.236 484 1HE2 GLN 52 1HE2 GLN 52 18.587 -15.615 -13.104 485 2HE2 GLN 52 2HE2 GLN 52 19.088 -17.222 -13.511 486 H THR 53 HN THR 53 12.385 -15.931 -10.457 487 HA THR 53 HA THR 53 12.771 -18.849 -10.578 488 HB THR 53 HB THR 53 12.145 -18.343 -8.295 489 HG1 THR 53 HG1 THR 53 10.840 -19.993 -9.350 490 1HG2 THR 53 1HG2 THR 53 9.894 -17.073 -7.954 491 2HG2 THR 53 2HG2 THR 53 11.321 -16.079 -8.334 492 3HG2 THR 53 3HG2 THR 53 10.135 -16.456 -9.606 493 H SER 54 HN SER 54 12.658 -17.709 -12.955 494 HA SER 54 HA SER 54 9.851 -18.031 -13.678 495 1HB SER 54 2HB SER 54 11.075 -15.667 -13.910 496 2HB SER 54 3HB SER 54 11.724 -16.380 -15.373 497 HG SER 54 HG SER 54 9.388 -15.202 -15.150 498 H LEU 55 HN LEU 55 9.581 -18.801 -16.029 499 HA LEU 55 HA LEU 55 11.599 -20.843 -16.518 500 1HB LEU 55 2HB LEU 55 8.766 -20.723 -16.650 501 2HB LEU 55 3HB LEU 55 9.350 -20.988 -18.281 502 HG LEU 55 HG LEU 55 10.811 -22.866 -17.171 503 1HD1 LEU 55 1HD1 LEU 55 8.749 -23.547 -15.300 504 2HD1 LEU 55 2HD1 LEU 55 10.493 -23.319 -15.026 505 3HD1 LEU 55 3HD1 LEU 55 9.385 -21.931 -14.910 506 1HD2 LEU 55 1HD2 LEU 55 7.975 -22.854 -18.058 507 2HD2 LEU 55 2HD2 LEU 55 9.385 -23.727 -18.705 508 3HD2 LEU 55 3HD2 LEU 55 8.561 -24.326 -17.245 509 H LEU 56 HN LEU 56 13.159 -19.116 -17.212 510 HA LEU 56 HA LEU 56 12.572 -17.634 -19.556 511 1HB LEU 56 2HB LEU 56 15.054 -18.207 -17.963 512 2HB LEU 56 3HB LEU 56 15.134 -17.345 -19.486 513 HG LEU 56 HG LEU 56 13.266 -16.398 -17.328 514 1HD1 LEU 56 1HD1 LEU 56 16.015 -16.709 -16.887 515 2HD1 LEU 56 2HD1 LEU 56 15.788 -14.985 -17.264 516 3HD1 LEU 56 3HD1 LEU 56 14.866 -15.735 -15.939 517 1HD2 LEU 56 1HD2 LEU 56 12.903 -15.249 -19.329 518 2HD2 LEU 56 2HD2 LEU 56 13.968 -14.168 -18.398 519 3HD2 LEU 56 3HD2 LEU 56 14.639 -15.166 -19.711 Start of MODEL 20 1 1H5* C 504 1H5* C 504 33.995 -14.537 -5.985 2 2H5* C 504 2H5* C 504 34.197 -12.898 -6.603 3 H4* C 504 H4* C 504 35.230 -15.107 -7.766 4 H3* C 504 H3* C 504 34.322 -12.598 -9.229 5 H2* C 504 H2* C 504 35.591 -13.436 -11.016 6 2HO* C 504 2HO* C 504 37.372 -13.820 -9.546 7 H1* C 504 H1* C 504 34.939 -16.172 -10.271 8 1H4 C 504 1H4 C 504 31.947 -15.356 -15.842 9 2H4 C 504 2H4 C 504 30.812 -14.265 -15.077 10 H5 C 504 H5 C 504 30.969 -13.570 -12.826 11 H6 C 504 H6 C 504 32.267 -13.750 -10.732 12 1H5* C 505 1H5* C 505 38.500 -9.032 -7.048 13 2H5* C 505 2H5* C 505 36.820 -8.701 -7.467 14 H4* C 505 H4* C 505 39.057 -8.111 -8.988 15 H3* C 505 H3* C 505 36.110 -8.151 -9.581 16 H2* C 505 H2* C 505 36.508 -7.864 -11.848 17 2HO* C 505 2HO* C 505 38.305 -6.621 -12.418 18 H1* C 505 H1* C 505 39.116 -9.246 -11.579 19 1H4 C 505 1H4 C 505 36.191 -12.744 -16.021 20 2H4 C 505 2H4 C 505 34.903 -13.126 -14.901 21 H5 C 505 H5 C 505 34.753 -12.238 -12.717 22 H6 C 505 H6 C 505 35.813 -10.752 -11.056 23 1H5* U 506 1H5* U 506 38.505 -4.268 -9.035 24 2H5* U 506 2H5* U 506 37.902 -2.818 -8.233 25 H4* U 506 H4* U 506 36.966 -2.405 -10.228 26 H3* U 506 H3* U 506 35.020 -4.396 -9.053 27 H2* U 506 H2* U 506 33.823 -4.366 -11.023 28 2HO* U 506 2HO* U 506 33.608 -2.067 -10.768 29 H1* U 506 H1* U 506 36.260 -3.444 -12.483 30 H3 U 506 H3 U 506 36.092 -6.616 -15.630 31 H5 U 506 H5 U 506 33.797 -8.285 -12.550 32 H6 U 506 H6 U 506 34.358 -6.317 -11.199 33 1H5* C 507 1H5* C 507 33.704 -0.178 -10.059 34 2H5* C 507 2H5* C 507 33.259 0.395 -8.452 35 H4* C 507 H4* C 507 32.149 1.389 -10.616 36 H3* C 507 H3* C 507 30.886 0.864 -7.947 37 H2* C 507 H2* C 507 28.800 1.693 -8.741 38 2HO* C 507 2HO* C 507 30.326 2.213 -11.130 39 H1* C 507 H1* C 507 28.859 0.114 -11.048 40 1H4 C 507 1H4 C 507 25.547 -3.157 -6.630 41 2H4 C 507 2H4 C 507 27.012 -4.049 -6.284 42 H5 C 507 H5 C 507 29.121 -3.522 -7.207 43 H6 C 507 H6 C 507 30.356 -1.996 -8.705 44 1H5* C 508 1H5* C 508 32.355 5.655 -9.632 45 2H5* C 508 2H5* C 508 33.033 4.205 -8.892 46 H4* C 508 H4* C 508 33.191 6.431 -7.057 47 H3* C 508 H3* C 508 33.963 7.054 -9.853 48 H2* C 508 H2* C 508 36.113 7.834 -9.266 49 2HO* C 508 2HO* C 508 36.439 8.451 -7.128 50 H1* C 508 H1* C 508 36.837 5.709 -7.716 51 1H4 C 508 1H4 C 508 38.325 3.429 -13.463 52 2H4 C 508 2H4 C 508 36.637 3.397 -13.922 53 H5 C 508 H5 C 508 34.883 4.161 -12.538 54 H6 C 508 H6 C 508 34.310 5.154 -10.350 55 1H5* G 509 1H5* G 509 34.855 9.681 -12.314 56 2H5* G 509 2H5* G 509 34.245 11.085 -11.439 57 H4* G 509 H4* G 509 32.957 11.251 -13.294 58 H3* G 509 H3* G 509 31.423 9.357 -11.513 59 H2* G 509 H2* G 509 29.681 9.343 -13.115 60 2HO* G 509 2HO* G 509 31.275 11.393 -14.363 61 H1* G 509 H1* G 509 31.529 9.126 -15.282 62 H8 G 509 H8 G 509 31.419 7.054 -12.052 63 H1 G 509 H1 G 509 29.293 4.051 -17.376 64 1H2 G 509 1H2 G 509 29.351 5.354 -18.972 65 2H2 G 509 2H2 G 509 29.894 7.015 -18.881 66 1H5* U 510 1H5* U 510 29.385 9.344 -9.060 67 2H5* U 510 2H5* U 510 28.980 8.085 -10.226 68 H4* U 510 H4* U 510 27.232 9.164 -8.471 69 H3* U 510 H3* U 510 26.731 7.904 -11.170 70 H2* U 510 H2* U 510 24.409 8.179 -10.806 71 2HO* U 510 2HO* U 510 24.150 9.237 -8.438 72 H1* U 510 H1* U 510 24.811 10.817 -9.744 73 H3 U 510 H3 U 510 22.374 12.088 -13.281 74 H5 U 510 H5 U 510 25.598 10.094 -15.064 75 H6 U 510 H6 U 510 26.373 9.537 -12.805 76 1H ALA 1 HN ALA 1 59.240 10.906 -49.649 77 HA ALA 1 HA ALA 1 57.115 9.318 -49.422 78 1HB ALA 1 1HB ALA 1 58.395 7.344 -50.030 79 2HB ALA 1 2HB ALA 1 59.607 7.695 -48.775 80 3HB ALA 1 3HB ALA 1 57.954 7.229 -48.309 81 H THR 2 HN THR 2 56.462 10.922 -47.999 82 HA THR 2 HA THR 2 57.826 10.879 -45.399 83 HB THR 2 HB THR 2 57.056 13.298 -47.107 84 HG1 THR 2 HG1 THR 2 59.459 12.396 -45.681 85 1HG2 THR 2 1HG2 THR 2 58.383 13.521 -44.402 86 2HG2 THR 2 2HG2 THR 2 57.386 14.715 -45.269 87 3HG2 THR 2 3HG2 THR 2 56.613 13.341 -44.442 88 H VAL 3 HN VAL 3 56.429 10.029 -43.995 89 HA VAL 3 HA VAL 3 53.813 11.226 -43.823 90 HB VAL 3 HB VAL 3 53.586 9.414 -45.514 91 1HG1 VAL 3 1HG1 VAL 3 55.303 7.896 -44.521 92 2HG1 VAL 3 2HG1 VAL 3 54.165 7.536 -43.200 93 3HG1 VAL 3 3HG1 VAL 3 53.755 7.091 -44.874 94 1HG2 VAL 3 1HG2 VAL 3 52.108 9.232 -42.880 95 2HG2 VAL 3 2HG2 VAL 3 51.600 10.026 -44.390 96 3HG2 VAL 3 3HG2 VAL 3 51.657 8.250 -44.294 97 H VAL 4 HN VAL 4 53.603 11.700 -41.703 98 HA VAL 4 HA VAL 4 54.324 9.669 -39.769 99 HB VAL 4 HB VAL 4 56.385 10.997 -40.185 100 1HG1 VAL 4 1HG1 VAL 4 56.533 13.307 -39.458 101 2HG1 VAL 4 2HG1 VAL 4 55.257 13.156 -40.688 102 3HG1 VAL 4 3HG1 VAL 4 54.822 13.300 -38.968 103 1HG2 VAL 4 1HG2 VAL 4 55.311 11.518 -37.402 104 2HG2 VAL 4 2HG2 VAL 4 55.758 9.892 -37.973 105 3HG2 VAL 4 3HG2 VAL 4 56.986 11.179 -37.899 106 H SER 5 HN SER 5 52.687 9.540 -38.323 107 HA SER 5 HA SER 5 51.388 11.977 -37.538 108 1HB SER 5 2HB SER 5 50.223 10.736 -39.622 109 2HB SER 5 3HB SER 5 49.540 9.744 -38.349 110 HG SER 5 HG SER 5 49.016 11.977 -37.325 111 H GLY 6 HN GLY 6 51.401 11.863 -35.325 112 1HA GLY 6 1HA GLY 6 50.633 9.327 -34.062 113 2HA GLY 6 2HA GLY 6 52.183 10.033 -33.649 114 H GLN 7 HN GLN 7 48.646 10.411 -33.476 115 HA GLN 7 HA GLN 7 49.038 12.715 -31.748 116 1HB GLN 7 2HB GLN 7 47.268 12.354 -33.820 117 2HB GLN 7 3HB GLN 7 46.271 11.873 -32.463 118 1HG GLN 7 2HG GLN 7 47.250 14.101 -31.352 119 2HG GLN 7 3HG GLN 7 47.554 14.554 -33.018 120 1HE2 GLN 7 1HE2 GLN 7 45.575 15.278 -30.762 121 2HE2 GLN 7 2HE2 GLN 7 44.031 15.346 -31.546 122 H LYS 8 HN LYS 8 48.915 12.450 -29.560 123 HA LYS 8 HA LYS 8 47.022 10.702 -28.389 124 1HB LYS 8 2HB LYS 8 48.512 9.085 -27.382 125 2HB LYS 8 3HB LYS 8 48.639 9.002 -29.127 126 1HG LYS 8 2HG LYS 8 50.578 10.911 -28.439 127 2HG LYS 8 3HG LYS 8 50.686 9.747 -27.134 128 1HD LYS 8 2HD LYS 8 51.789 8.296 -28.479 129 2HD LYS 8 3HD LYS 8 50.435 8.265 -29.593 130 1HE LYS 8 2HE LYS 8 51.419 9.758 -31.050 131 2HE LYS 8 3HE LYS 8 52.107 10.727 -29.762 132 1HZ LYS 8 1HZ LYS 8 53.618 9.281 -31.222 133 2HZ LYS 8 2HZ LYS 8 53.916 9.369 -29.620 134 3HZ LYS 8 3HZ LYS 8 53.165 8.058 -30.240 135 H GLN 9 HN GLN 9 46.377 11.830 -26.641 136 HA GLN 9 HA GLN 9 47.978 13.960 -25.716 137 1HB GLN 9 2HB GLN 9 45.364 13.702 -25.791 138 2HB GLN 9 3HB GLN 9 45.552 12.875 -24.257 139 1HG GLN 9 2HG GLN 9 45.141 15.225 -23.788 140 2HG GLN 9 3HG GLN 9 46.809 14.880 -23.370 141 1HE2 GLN 9 1HE2 GLN 9 44.748 16.008 -26.032 142 2HE2 GLN 9 2HE2 GLN 9 45.863 17.145 -26.714 143 H ASP 10 HN ASP 10 48.684 14.261 -23.422 144 HA ASP 10 HA ASP 10 49.440 11.678 -22.303 145 1HB ASP 10 2HB ASP 10 51.321 13.140 -23.134 146 2HB ASP 10 3HB ASP 10 50.822 14.387 -22.009 147 H ARG 11 HN ARG 11 47.646 11.464 -20.836 148 HA ARG 11 HA ARG 11 47.846 13.066 -18.522 149 1HB ARG 11 2HB ARG 11 45.794 13.705 -20.545 150 2HB ARG 11 3HB ARG 11 45.073 13.325 -18.994 151 1HG ARG 11 2HG ARG 11 47.425 15.242 -19.175 152 2HG ARG 11 3HG ARG 11 45.793 15.803 -19.477 153 1HD ARG 11 2HD ARG 11 45.619 16.085 -17.222 154 2HD ARG 11 3HD ARG 11 45.485 14.341 -17.117 155 HE ARG 11 HE ARG 11 48.201 14.667 -17.184 156 1HH1 ARG 11 2HH2 ARG 11 45.701 16.242 -15.272 157 2HH1 ARG 11 1HH2 ARG 11 46.742 16.537 -13.920 158 1HH2 ARG 11 2HH1 ARG 11 49.575 15.055 -15.400 159 2HH2 ARG 11 1HH1 ARG 11 48.960 15.858 -13.993 160 H GLN 12 HN GLN 12 47.276 11.770 -16.770 161 HA GLN 12 HA GLN 12 45.702 9.406 -17.438 162 1HB GLN 12 2HB GLN 12 48.073 9.773 -15.582 163 2HB GLN 12 3HB GLN 12 46.963 8.436 -15.354 164 1HG GLN 12 2HG GLN 12 47.437 7.528 -17.539 165 2HG GLN 12 3HG GLN 12 48.237 8.998 -18.062 166 1HE2 GLN 12 1HE2 GLN 12 48.676 5.926 -16.958 167 2HE2 GLN 12 2HE2 GLN 12 50.302 6.011 -16.365 168 H GLY 13 HN GLY 13 43.738 9.274 -16.440 169 1HA GLY 13 1HA GLY 13 42.935 11.261 -14.560 170 2HA GLY 13 2HA GLY 13 42.010 9.881 -15.119 171 H GLY 14 HN GLY 14 43.186 11.255 -12.375 172 1HA GLY 14 1HA GLY 14 43.570 10.530 -10.284 173 2HA GLY 14 2HA GLY 14 42.725 9.061 -10.728 174 H GLU 15 HN GLU 15 43.878 7.195 -10.535 175 HA GLU 15 HA GLU 15 46.773 7.478 -10.580 176 1HB GLU 15 2HB GLU 15 45.099 6.283 -8.702 177 2HB GLU 15 3HB GLU 15 45.662 4.906 -9.628 178 1HG GLU 15 2HG GLU 15 47.311 5.159 -7.937 179 2HG GLU 15 3HG GLU 15 48.050 5.889 -9.348 180 H ARG 16 HN ARG 16 44.235 5.006 -11.439 181 HA ARG 16 HA ARG 16 44.946 4.862 -14.075 182 1HB ARG 16 2HB ARG 16 47.065 3.838 -12.810 183 2HB ARG 16 3HB ARG 16 46.058 2.410 -12.680 184 1HG ARG 16 2HG ARG 16 46.471 3.817 -15.348 185 2HG ARG 16 3HG ARG 16 47.607 2.617 -14.765 186 1HD ARG 16 2HD ARG 16 45.863 0.899 -14.684 187 2HD ARG 16 3HD ARG 16 44.612 2.079 -15.020 188 HE ARG 16 HE ARG 16 46.729 1.920 -17.065 189 1HH1 ARG 16 2HH2 ARG 16 43.564 0.783 -16.031 190 2HH1 ARG 16 1HH2 ARG 16 43.088 0.271 -17.617 191 1HH2 ARG 16 2HH1 ARG 16 46.102 1.247 -19.157 192 2HH2 ARG 16 1HH1 ARG 16 44.541 0.538 -19.407 193 H ARG 17 HN ARG 17 42.655 4.672 -14.261 194 HA ARG 17 HA ARG 17 41.654 2.126 -14.321 195 1HB ARG 17 2HB ARG 17 41.515 3.326 -11.670 196 2HB ARG 17 3HB ARG 17 39.888 3.124 -12.289 197 1HG ARG 17 2HG ARG 17 40.468 0.714 -12.859 198 2HG ARG 17 3HG ARG 17 42.020 0.947 -12.078 199 1HD ARG 17 2HD ARG 17 39.301 1.289 -10.720 200 2HD ARG 17 3HD ARG 17 40.349 -0.104 -10.540 201 HE ARG 17 HE ARG 17 41.618 2.477 -9.892 202 1HH1 ARG 17 2HH2 ARG 17 39.863 -0.314 -8.663 203 2HH1 ARG 17 1HH2 ARG 17 40.388 -0.085 -7.029 204 1HH2 ARG 17 2HH1 ARG 17 42.312 2.779 -7.736 205 2HH2 ARG 17 1HH1 ARG 17 41.791 1.687 -6.498 206 H ARG 18 HN ARG 18 40.482 5.404 -13.226 207 HA ARG 18 HA ARG 18 38.109 5.407 -14.469 208 1HB ARG 18 2HB ARG 18 38.742 7.243 -13.018 209 2HB ARG 18 3HB ARG 18 40.108 7.669 -14.029 210 1HG ARG 18 2HG ARG 18 38.756 8.656 -15.691 211 2HG ARG 18 3HG ARG 18 37.342 7.718 -15.249 212 1HD ARG 18 2HD ARG 18 36.623 9.408 -13.917 213 2HD ARG 18 3HD ARG 18 38.069 9.267 -12.938 214 HE ARG 18 HE ARG 18 39.052 11.066 -14.121 215 1HH1 ARG 18 2HH2 ARG 18 36.042 10.079 -15.654 216 2HH1 ARG 18 1HH2 ARG 18 35.959 11.472 -16.680 217 1HH2 ARG 18 2HH1 ARG 18 38.942 12.905 -15.474 218 2HH2 ARG 18 1HH1 ARG 18 37.619 13.091 -16.576 219 H SER 19 HN SER 19 41.354 5.889 -15.882 220 HA SER 19 HA SER 19 42.018 6.428 -17.911 221 1HB SER 19 2HB SER 19 41.078 3.921 -17.864 222 2HB SER 19 3HB SER 19 39.940 4.555 -19.036 223 HG SER 19 HG SER 19 41.640 3.871 -20.283 224 H GLN 20 HN GLN 20 40.223 5.985 -20.399 225 HA GLN 20 HA GLN 20 39.195 8.655 -20.384 226 1HB GLN 20 2HB GLN 20 39.954 6.630 -22.397 227 2HB GLN 20 3HB GLN 20 38.507 7.515 -22.837 228 1HG GLN 20 2HG GLN 20 39.938 9.640 -22.085 229 2HG GLN 20 3HG GLN 20 41.300 8.572 -22.355 230 1HE2 GLN 20 1HE2 GLN 20 39.183 10.732 -23.733 231 2HE2 GLN 20 2HE2 GLN 20 39.423 10.391 -25.414 232 H LEU 21 HN LEU 21 37.768 7.251 -18.502 233 HA LEU 21 HA LEU 21 35.657 5.732 -19.143 234 1HB LEU 21 2HB LEU 21 36.449 7.376 -16.999 235 2HB LEU 21 3HB LEU 21 34.791 7.820 -17.354 236 HG LEU 21 HG LEU 21 35.658 4.952 -16.936 237 1HD1 LEU 21 1HD1 LEU 21 34.725 5.196 -14.630 238 2HD1 LEU 21 2HD1 LEU 21 36.239 6.089 -14.911 239 3HD1 LEU 21 3HD1 LEU 21 34.686 6.957 -14.887 240 1HD2 LEU 21 1HD2 LEU 21 33.199 6.213 -17.727 241 2HD2 LEU 21 2HD2 LEU 21 33.586 4.484 -17.570 242 3HD2 LEU 21 3HD2 LEU 21 32.981 5.391 -16.163 243 H ASP 22 HN ASP 22 34.242 5.838 -20.798 244 HA ASP 22 HA ASP 22 33.683 8.367 -21.971 245 1HB ASP 22 2HB ASP 22 33.899 6.024 -23.117 246 2HB ASP 22 3HB ASP 22 32.261 5.742 -22.561 247 H ARG 23 HN ARG 23 31.537 9.372 -22.039 248 HA ARG 23 HA ARG 23 30.112 9.104 -19.674 249 1HB ARG 23 2HB ARG 23 30.298 11.062 -21.510 250 2HB ARG 23 3HB ARG 23 28.841 10.318 -22.139 251 1HG ARG 23 2HG ARG 23 28.297 12.127 -20.525 252 2HG ARG 23 3HG ARG 23 27.713 10.575 -19.956 253 1HD ARG 23 2HD ARG 23 29.016 10.678 -18.092 254 2HD ARG 23 3HD ARG 23 30.455 11.003 -19.037 255 HE ARG 23 HE ARG 23 29.214 13.432 -19.128 256 1HH1 ARG 23 2HH2 ARG 23 29.865 11.256 -16.441 257 2HH1 ARG 23 1HH2 ARG 23 29.975 12.528 -15.270 258 1HH2 ARG 23 2HH1 ARG 23 29.359 15.111 -17.584 259 2HH2 ARG 23 1HH1 ARG 23 29.685 14.735 -15.925 260 H ASP 24 HN ASP 24 30.198 7.093 -22.394 261 HA ASP 24 HA ASP 24 27.521 6.122 -21.771 262 1HB ASP 24 2HB ASP 24 28.871 6.615 -24.419 263 2HB ASP 24 3HB ASP 24 27.834 5.208 -24.302 264 H GLN 25 HN GLN 25 30.204 5.413 -20.654 265 HA GLN 25 HA GLN 25 30.506 2.751 -21.807 266 1HB GLN 25 2HB GLN 25 32.439 4.767 -20.832 267 2HB GLN 25 3HB GLN 25 32.737 3.164 -20.189 268 1HG GLN 25 2HG GLN 25 32.093 3.034 -23.047 269 2HG GLN 25 3HG GLN 25 33.436 4.123 -22.762 270 1HE2 GLN 25 1HE2 GLN 25 34.338 2.257 -24.102 271 2HE2 GLN 25 2HE2 GLN 25 35.109 0.970 -23.236 272 H CYS 26 HN CYS 26 31.715 1.321 -19.836 273 HA CYS 26 HA CYS 26 29.832 1.576 -17.604 274 1HB CYS 26 2HB CYS 26 29.328 -0.409 -18.907 275 2HB CYS 26 3HB CYS 26 30.999 -0.932 -18.853 276 H ALA 27 HN ALA 27 30.749 1.704 -15.546 277 HA ALA 27 HA ALA 27 33.670 1.699 -15.476 278 1HB ALA 27 1HB ALA 27 32.276 3.695 -14.724 279 2HB ALA 27 2HB ALA 27 31.713 2.685 -13.371 280 3HB ALA 27 3HB ALA 27 33.441 3.080 -13.529 281 H TYR 28 HN TYR 28 32.196 -0.818 -15.686 282 HA TYR 28 HA TYR 28 32.957 -1.940 -13.079 283 1HB TYR 28 2HB TYR 28 30.392 -1.622 -13.724 284 2HB TYR 28 3HB TYR 28 30.676 -2.885 -14.906 285 HD1 TYR 28 HD1 TYR 28 30.068 -2.136 -11.414 286 HD2 TYR 28 HD2 TYR 28 31.359 -5.186 -14.121 287 HE1 TYR 28 HE1 TYR 28 29.634 -3.904 -9.639 288 HE2 TYR 28 HE2 TYR 28 30.920 -6.945 -12.338 289 HH TYR 28 HH TYR 28 29.228 -6.977 -10.222 290 H CYS 29 HN CYS 29 31.877 -2.981 -16.398 291 HA CYS 29 HA CYS 29 33.923 -5.038 -16.285 292 1HB CYS 29 2HB CYS 29 32.789 -5.966 -18.277 293 2HB CYS 29 3HB CYS 29 31.713 -5.806 -16.904 294 H LYS 30 HN LYS 30 33.177 -1.884 -17.610 295 HA LYS 30 HA LYS 30 34.621 -0.488 -18.631 296 1HB LYS 30 2HB LYS 30 36.384 -2.471 -18.042 297 2HB LYS 30 3HB LYS 30 36.410 -2.549 -19.792 298 1HG LYS 30 2HG LYS 30 37.596 -0.617 -19.943 299 2HG LYS 30 3HG LYS 30 36.451 0.239 -18.929 300 1HD LYS 30 2HD LYS 30 38.393 -1.692 -17.638 301 2HD LYS 30 3HD LYS 30 38.969 -0.112 -18.130 302 1HE LYS 30 2HE LYS 30 38.074 0.799 -16.259 303 2HE LYS 30 3HE LYS 30 36.474 0.319 -16.787 304 1HZ LYS 30 1HZ LYS 30 38.224 -0.962 -14.904 305 2HZ LYS 30 2HZ LYS 30 36.593 -0.914 -14.946 306 3HZ LYS 30 3HZ LYS 30 37.403 -1.977 -15.885 307 H GLU 31 HN GLU 31 32.260 -2.150 -19.601 308 HA GLU 31 HA GLU 31 32.802 -2.480 -22.379 309 1HB GLU 31 2HB GLU 31 31.223 -3.960 -21.148 310 2HB GLU 31 3HB GLU 31 30.175 -2.591 -20.830 311 1HG GLU 31 2HG GLU 31 29.393 -3.926 -22.789 312 2HG GLU 31 3HG GLU 31 29.763 -2.272 -23.232 313 H LYS 32 HN LYS 32 31.291 -1.396 -24.052 314 HA LYS 32 HA LYS 32 30.882 1.401 -23.249 315 1HB LYS 32 2HB LYS 32 32.822 1.004 -24.789 316 2HB LYS 32 3HB LYS 32 31.701 0.387 -25.986 317 1HG LYS 32 2HG LYS 32 30.768 2.479 -26.413 318 2HG LYS 32 3HG LYS 32 31.034 3.056 -24.779 319 1HD LYS 32 2HD LYS 32 32.968 4.059 -25.403 320 2HD LYS 32 3HD LYS 32 33.616 2.530 -25.963 321 1HE LYS 32 2HE LYS 32 31.598 3.636 -27.817 322 2HE LYS 32 3HE LYS 32 32.948 4.727 -27.576 323 1HZ LYS 32 1HZ LYS 32 34.440 3.061 -28.244 324 2HZ LYS 32 2HZ LYS 32 33.307 1.884 -28.203 325 3HZ LYS 32 3HZ LYS 32 33.237 3.044 -29.349 326 H GLY 33 HN GLY 33 28.748 1.788 -23.016 327 1HA GLY 33 1HA GLY 33 26.849 1.949 -24.814 328 2HA GLY 33 2HA GLY 33 26.852 0.211 -24.595 329 H HIS 34 HN HIS 34 27.094 -0.358 -22.003 330 HA HIS 34 HA HIS 34 24.813 1.030 -20.838 331 1HB HIS 34 2HB HIS 34 24.527 -0.912 -19.452 332 2HB HIS 34 3HB HIS 34 24.679 -1.416 -21.123 333 HD1 HIS 34 HD1 HIS 34 26.743 -2.842 -21.780 334 HD2 HIS 34 HD2 HIS 34 26.704 -1.647 -17.759 335 HE1 HIS 34 HE1 HIS 34 28.553 -4.208 -20.611 336 H TRP 35 HN TRP 35 24.969 1.048 -18.259 337 HA TRP 35 HA TRP 35 27.572 2.271 -17.663 338 1HB TRP 35 2HB TRP 35 24.767 2.920 -16.893 339 2HB TRP 35 3HB TRP 35 26.029 3.220 -15.714 340 HD1 TRP 35 HD1 TRP 35 25.919 3.950 -19.568 341 HE1 TRP 35 HE1 TRP 35 26.625 6.447 -20.047 342 HE3 TRP 35 HE3 TRP 35 26.586 5.248 -14.697 343 HZ2 TRP 35 HZ2 TRP 35 27.367 8.636 -18.373 344 HZ3 TRP 35 HZ3 TRP 35 27.302 7.584 -14.206 345 HH2 TRP 35 HH2 TRP 35 27.691 9.253 -15.949 346 H ALA 36 HN ALA 36 28.207 2.007 -15.265 347 HA ALA 36 HA ALA 36 28.411 -0.699 -14.672 348 1HB ALA 36 1HB ALA 36 29.754 1.453 -13.913 349 2HB ALA 36 2HB ALA 36 28.621 1.418 -12.542 350 3HB ALA 36 3HB ALA 36 29.676 0.021 -12.860 351 H LYS 37 HN LYS 37 26.071 1.821 -13.640 352 HA LYS 37 HA LYS 37 24.868 0.270 -11.627 353 1HB LYS 37 2HB LYS 37 24.035 2.703 -13.206 354 2HB LYS 37 3HB LYS 37 22.946 1.947 -12.060 355 1HG LYS 37 2HG LYS 37 24.465 2.315 -10.215 356 2HG LYS 37 3HG LYS 37 25.790 2.720 -11.289 357 1HD LYS 37 2HD LYS 37 23.305 4.400 -11.507 358 2HD LYS 37 3HD LYS 37 24.274 4.606 -10.062 359 1HE LYS 37 2HE LYS 37 25.773 5.858 -11.213 360 2HE LYS 37 3HE LYS 37 26.085 4.522 -12.302 361 1HZ LYS 37 1HZ LYS 37 24.844 5.465 -13.852 362 2HZ LYS 37 2HZ LYS 37 23.608 5.798 -12.837 363 3HZ LYS 37 3HZ LYS 37 24.867 6.832 -12.957 364 H ASP 38 HN ASP 38 25.003 -0.138 -15.008 365 HA ASP 38 HA ASP 38 22.658 -1.855 -14.825 366 1HB ASP 38 2HB ASP 38 22.735 0.428 -16.359 367 2HB ASP 38 3HB ASP 38 23.371 -0.734 -17.506 368 H CYS 39 HN CYS 39 25.572 -2.371 -14.416 369 HA CYS 39 HA CYS 39 26.635 -3.461 -16.800 370 1HB CYS 39 2HB CYS 39 28.014 -2.620 -14.893 371 2HB CYS 39 3HB CYS 39 27.478 -3.984 -13.931 372 HA PRO 40 HA PRO 40 24.374 -7.207 -16.504 373 1HB PRO 40 2HB PRO 40 25.434 -8.474 -18.680 374 2HB PRO 40 3HB PRO 40 24.114 -7.324 -18.788 375 1HG PRO 40 2HG PRO 40 26.957 -6.955 -19.509 376 2HG PRO 40 3HG PRO 40 25.568 -6.000 -19.992 377 1HD PRO 40 2HD PRO 40 27.524 -5.306 -18.013 378 2HD PRO 40 3HD PRO 40 26.074 -4.409 -18.413 379 H LYS 41 HN LYS 41 27.474 -6.709 -15.689 380 HA LYS 41 HA LYS 41 28.065 -9.534 -15.338 381 1HB LYS 41 2HB LYS 41 29.607 -7.210 -15.849 382 2HB LYS 41 3HB LYS 41 30.052 -7.754 -14.245 383 1HG LYS 41 2HG LYS 41 29.945 -10.160 -15.611 384 2HG LYS 41 3HG LYS 41 30.484 -9.076 -16.878 385 1HD LYS 41 2HD LYS 41 32.574 -9.341 -16.015 386 2HD LYS 41 3HD LYS 41 32.057 -8.267 -14.730 387 1HE LYS 41 2HE LYS 41 32.964 -10.265 -13.689 388 2HE LYS 41 3HE LYS 41 31.230 -10.283 -13.436 389 1HZ LYS 41 1HZ LYS 41 31.234 -11.628 -15.601 390 2HZ LYS 41 2HZ LYS 41 32.809 -11.900 -15.271 391 3HZ LYS 41 3HZ LYS 41 31.659 -12.372 -14.211 392 H LYS 42 HN LYS 42 26.698 -6.809 -13.659 393 HA LYS 42 HA LYS 42 27.448 -7.314 -11.059 394 1HB LYS 42 2HB LYS 42 25.104 -6.022 -12.392 395 2HB LYS 42 3HB LYS 42 24.980 -6.372 -10.680 396 1HG LYS 42 2HG LYS 42 27.496 -5.288 -10.747 397 2HG LYS 42 3HG LYS 42 26.772 -4.439 -12.098 398 1HD LYS 42 2HD LYS 42 25.190 -4.620 -9.535 399 2HD LYS 42 3HD LYS 42 26.556 -3.523 -9.579 400 1HE LYS 42 2HE LYS 42 25.431 -2.793 -11.923 401 2HE LYS 42 3HE LYS 42 23.987 -3.424 -11.156 402 1HZ LYS 42 1HZ LYS 42 25.561 -1.120 -10.447 403 2HZ LYS 42 2HZ LYS 42 23.950 -1.358 -10.330 404 3HZ LYS 42 3HZ LYS 42 24.951 -1.974 -9.195 405 HA PRO 43 HA PRO 43 25.614 -11.290 -10.690 406 1HB PRO 43 2HB PRO 43 26.989 -12.059 -8.456 407 2HB PRO 43 3HB PRO 43 27.594 -12.298 -10.084 408 1HG PRO 43 2HG PRO 43 28.431 -10.303 -8.068 409 2HG PRO 43 3HG PRO 43 29.281 -10.835 -9.504 410 1HD PRO 43 2HD PRO 43 27.849 -8.371 -9.172 411 2HD PRO 43 3HD PRO 43 28.601 -8.956 -10.643 412 H ARG 44 HN ARG 44 24.178 -12.451 -9.245 413 HA ARG 44 HA ARG 44 23.142 -10.561 -7.286 414 1HB ARG 44 2HB ARG 44 20.864 -11.417 -7.773 415 2HB ARG 44 3HB ARG 44 21.600 -10.780 -9.231 416 1HG ARG 44 2HG ARG 44 21.269 -12.778 -10.246 417 2HG ARG 44 3HG ARG 44 22.382 -13.520 -9.113 418 1HD ARG 44 2HD ARG 44 20.420 -13.727 -7.470 419 2HD ARG 44 3HD ARG 44 19.364 -13.203 -8.767 420 HE ARG 44 HE ARG 44 20.921 -15.329 -9.806 421 1HH1 ARG 44 2HH2 ARG 44 18.511 -14.842 -7.288 422 2HH1 ARG 44 1HH2 ARG 44 17.910 -16.465 -7.371 423 1HH2 ARG 44 2HH1 ARG 44 20.128 -17.469 -9.916 424 2HH2 ARG 44 1HH1 ARG 44 18.836 -17.969 -8.877 425 H GLY 45 HN GLY 45 22.071 -11.597 -5.373 426 1HA GLY 45 1HA GLY 45 22.920 -14.400 -4.967 427 2HA GLY 45 2HA GLY 45 23.237 -13.156 -3.774 428 HA PRO 46 HA PRO 46 23.013 -14.836 -2.564 429 1HB PRO 46 2HB PRO 46 22.175 -17.114 -1.307 430 2HB PRO 46 3HB PRO 46 22.279 -15.560 -0.505 431 1HG PRO 46 2HG PRO 46 19.877 -17.003 -1.446 432 2HG PRO 46 3HG PRO 46 19.987 -15.689 -0.291 433 1HD PRO 46 2HD PRO 46 19.120 -15.508 -3.019 434 2HD PRO 46 3HD PRO 46 19.340 -14.178 -1.898 435 H ARG 47 HN ARG 47 24.586 -16.145 -3.420 436 HA ARG 47 HA ARG 47 23.557 -18.274 -5.069 437 1HB ARG 47 2HB ARG 47 23.761 -16.355 -6.624 438 2HB ARG 47 3HB ARG 47 25.404 -16.059 -6.092 439 1HG ARG 47 2HG ARG 47 25.838 -18.559 -6.834 440 2HG ARG 47 3HG ARG 47 24.346 -18.379 -7.737 441 1HD ARG 47 2HD ARG 47 25.356 -17.106 -9.336 442 2HD ARG 47 3HD ARG 47 26.087 -16.052 -8.142 443 HE ARG 47 HE ARG 47 27.316 -18.428 -9.375 444 1HH1 ARG 47 2HH2 ARG 47 27.462 -16.093 -6.745 445 2HH1 ARG 47 1HH2 ARG 47 29.142 -16.369 -6.424 446 1HH2 ARG 47 2HH1 ARG 47 29.532 -18.792 -8.951 447 2HH2 ARG 47 1HH1 ARG 47 30.328 -17.914 -7.687 448 H GLY 48 HN GLY 48 24.611 -19.999 -4.107 449 1HA GLY 48 1HA GLY 48 26.287 -21.314 -3.391 450 2HA GLY 48 2HA GLY 48 27.386 -20.331 -4.339 451 HA PRO 49 HA PRO 49 27.820 -19.506 0.240 452 1HB PRO 49 2HB PRO 49 29.673 -21.347 1.041 453 2HB PRO 49 3HB PRO 49 27.951 -21.547 1.297 454 1HG PRO 49 2HG PRO 49 29.698 -22.883 -0.679 455 2HG PRO 49 3HG PRO 49 28.106 -23.358 -0.122 456 1HD PRO 49 2HD PRO 49 28.748 -22.106 -2.622 457 2HD PRO 49 3HD PRO 49 27.145 -22.477 -2.016 458 H ARG 50 HN ARG 50 29.467 -18.287 1.281 459 HA ARG 50 HA ARG 50 31.198 -17.235 -0.687 460 1HB ARG 50 2HB ARG 50 30.806 -16.716 2.291 461 2HB ARG 50 3HB ARG 50 32.066 -15.899 1.388 462 1HG ARG 50 2HG ARG 50 29.772 -15.609 -0.231 463 2HG ARG 50 3HG ARG 50 29.165 -15.406 1.400 464 1HD ARG 50 2HD ARG 50 30.477 -13.499 1.810 465 2HD ARG 50 3HD ARG 50 31.714 -13.968 0.660 466 HE ARG 50 HE ARG 50 29.548 -13.570 -0.979 467 1HH1 ARG 50 2HH2 ARG 50 30.993 -11.603 1.555 468 2HH1 ARG 50 1HH2 ARG 50 30.513 -10.100 0.840 469 1HH2 ARG 50 2HH1 ARG 50 28.915 -11.589 -1.924 470 2HH2 ARG 50 1HH1 ARG 50 29.323 -10.092 -1.153 471 HA PRO 51 HA PRO 51 34.542 -19.899 0.282 472 1HB PRO 51 2HB PRO 51 36.438 -18.782 -1.338 473 2HB PRO 51 3HB PRO 51 35.248 -19.935 -1.909 474 1HG PRO 51 2HG PRO 51 35.341 -17.010 -2.323 475 2HG PRO 51 3HG PRO 51 34.433 -18.215 -3.212 476 1HD PRO 51 2HD PRO 51 33.407 -16.405 -1.237 477 2HD PRO 51 3HD PRO 51 32.525 -17.687 -2.042 478 H GLN 52 HN GLN 52 36.761 -19.963 1.188 479 HA GLN 52 HA GLN 52 37.053 -17.544 2.793 480 1HB GLN 52 2HB GLN 52 38.029 -18.957 4.551 481 2HB GLN 52 3HB GLN 52 36.437 -19.548 4.118 482 1HG GLN 52 2HG GLN 52 37.443 -21.293 2.671 483 2HG GLN 52 3HG GLN 52 39.048 -20.669 2.994 484 1HE2 GLN 52 1HE2 GLN 52 37.971 -23.302 3.491 485 2HE2 GLN 52 2HE2 GLN 52 38.118 -23.629 5.186 486 H THR 53 HN THR 53 39.337 -16.971 3.404 487 HA THR 53 HA THR 53 41.187 -17.798 1.265 488 HB THR 53 HB THR 53 40.363 -15.400 1.214 489 HG1 THR 53 HG1 THR 53 43.121 -15.976 2.048 490 1HG2 THR 53 1HG2 THR 53 40.283 -14.228 3.175 491 2HG2 THR 53 2HG2 THR 53 41.076 -15.562 4.047 492 3HG2 THR 53 3HG2 THR 53 42.059 -14.321 3.235 493 H SER 54 HN SER 54 41.235 -19.661 3.070 494 HA SER 54 HA SER 54 42.690 -19.055 5.374 495 1HB SER 54 2HB SER 54 41.251 -21.197 4.556 496 2HB SER 54 3HB SER 54 42.849 -21.802 4.167 497 HG SER 54 HG SER 54 43.403 -21.083 6.474 498 H LEU 55 HN LEU 55 44.938 -20.008 5.857 499 HA LEU 55 HA LEU 55 47.106 -20.086 5.456 500 1HB LEU 55 2HB LEU 55 46.021 -21.162 2.882 501 2HB LEU 55 3HB LEU 55 47.740 -20.855 3.033 502 HG LEU 55 HG LEU 55 46.491 -22.435 5.222 503 1HD1 LEU 55 1HD1 LEU 55 46.309 -23.224 2.391 504 2HD1 LEU 55 2HD1 LEU 55 47.040 -24.445 3.460 505 3HD1 LEU 55 3HD1 LEU 55 45.415 -23.811 3.814 506 1HD2 LEU 55 1HD2 LEU 55 49.119 -22.137 3.894 507 2HD2 LEU 55 2HD2 LEU 55 48.712 -22.419 5.604 508 3HD2 LEU 55 3HD2 LEU 55 48.707 -23.776 4.452 509 H LEU 56 HN LEU 56 48.393 -18.327 5.428 510 HA LEU 56 HA LEU 56 49.256 -16.377 4.859 511 1HB LEU 56 2HB LEU 56 48.306 -17.280 2.152 512 2HB LEU 56 3HB LEU 56 49.088 -15.727 2.375 513 HG LEU 56 HG LEU 56 50.362 -18.338 3.224 514 1HD1 LEU 56 1HD1 LEU 56 49.774 -17.667 0.603 515 2HD1 LEU 56 2HD1 LEU 56 51.456 -17.121 0.808 516 3HD1 LEU 56 3HD1 LEU 56 51.022 -18.813 1.150 517 1HD2 LEU 56 1HD2 LEU 56 52.234 -17.165 3.727 518 2HD2 LEU 56 2HD2 LEU 56 51.945 -15.937 2.471 519 3HD2 LEU 56 3HD2 LEU 56 51.046 -15.870 4.007
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