NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10965 | 1qo6 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TYR 1 H1 TYR 1 49.243 5.821 -41.497 2 H2 TYR 1 H2 TYR 1 49.527 4.159 -41.648 3 H3 TYR 1 H3 TYR 1 50.756 5.264 -42.010 4 HA TYR 1 HA TYR 1 49.619 6.064 -43.912 5 1HB TYR 1 1HB TYR 1 49.916 3.104 -43.566 6 2HB TYR 1 2HB TYR 1 49.253 3.726 -45.074 7 HD1 TYR 1 HD1 TYR 1 50.659 5.523 -46.301 8 HD2 TYR 1 HD2 TYR 1 52.220 2.969 -43.278 9 HE1 TYR 1 HE1 TYR 1 52.936 5.946 -47.127 10 HE2 TYR 1 HE2 TYR 1 54.502 3.385 -44.096 11 HH TYR 1 HH TYR 1 55.763 4.460 -45.569 12 H GLY 2 H GLY 2 47.591 6.550 -42.189 13 1HA GLY 2 1HA GLY 2 45.316 7.004 -42.903 14 2HA GLY 2 2HA GLY 2 45.278 5.398 -43.612 15 H HIS 3 H HIS 3 45.425 3.557 -42.079 16 HA HIS 3 HA HIS 3 43.430 3.628 -40.176 17 1HB HIS 3 1HB HIS 3 45.693 1.779 -40.750 18 2HB HIS 3 2HB HIS 3 44.835 1.575 -39.227 19 HD1 HIS 3 HD1 HIS 3 44.250 1.482 -42.952 20 HD2 HIS 3 HD2 HIS 3 42.380 0.347 -39.419 21 HE1 HIS 3 HE1 HIS 3 42.276 0.092 -43.653 22 HE2 HIS 3 HE2 HIS 3 41.221 -0.669 -41.496 23 H CYS 4 H CYS 4 43.360 3.803 -37.946 24 HA CYS 4 HA CYS 4 45.738 5.043 -36.720 25 1HB CYS 4 1HB CYS 4 43.717 5.819 -35.088 26 2HB CYS 4 2HB CYS 4 44.284 6.757 -36.462 27 H VAL 5 H VAL 5 46.684 3.943 -35.141 28 HA VAL 5 HA VAL 5 45.077 2.007 -33.602 29 HB VAL 5 HB VAL 5 47.997 1.582 -34.185 30 1HG1 VAL 5 1HG1 VAL 5 45.920 0.202 -32.718 31 2HG1 VAL 5 2HG1 VAL 5 46.662 -0.841 -33.931 32 3HG1 VAL 5 3HG1 VAL 5 47.665 -0.055 -32.712 33 1HG2 VAL 5 1HG2 VAL 5 45.634 0.927 -35.897 34 2HG2 VAL 5 2HG2 VAL 5 47.219 1.547 -36.363 35 3HG2 VAL 5 3HG2 VAL 5 47.038 -0.140 -35.881 36 H THR 6 H THR 6 45.370 1.996 -31.414 37 HA THR 6 HA THR 6 47.013 4.156 -30.325 38 HB THR 6 HB THR 6 45.684 4.122 -28.402 39 HG1 THR 6 HG1 THR 6 45.278 1.447 -29.099 40 1HG2 THR 6 1HG2 THR 6 44.459 4.863 -30.442 41 2HG2 THR 6 2HG2 THR 6 43.779 3.241 -30.573 42 3HG2 THR 6 3HG2 THR 6 43.404 4.244 -29.172 43 H ASP 7 H ASP 7 47.812 1.265 -31.183 44 HA ASP 7 HA ASP 7 49.446 -0.198 -30.569 45 1HB ASP 7 1HB ASP 7 50.386 2.093 -29.629 46 2HB ASP 7 2HB ASP 7 50.060 1.328 -28.076 47 H SER 8 H SER 8 46.645 0.166 -29.094 48 HA SER 8 HA SER 8 47.178 -1.741 -26.924 49 1HB SER 8 1HB SER 8 45.166 0.396 -27.350 50 2HB SER 8 2HB SER 8 44.597 -1.058 -26.531 51 HG SER 8 HG SER 8 45.616 0.778 -25.264 52 H GLY 9 H GLY 9 46.206 -1.702 -30.089 53 1HA GLY 9 1HA GLY 9 45.758 -3.931 -31.037 54 2HA GLY 9 2HA GLY 9 44.626 -4.170 -29.715 55 H VAL 10 H VAL 10 43.659 -1.366 -29.967 56 HA VAL 10 HA VAL 10 41.532 -1.881 -31.783 57 HB VAL 10 HB VAL 10 42.102 0.887 -30.817 58 1HG1 VAL 10 1HG1 VAL 10 39.600 -0.777 -31.079 59 2HG1 VAL 10 2HG1 VAL 10 39.655 0.892 -30.510 60 3HG1 VAL 10 3HG1 VAL 10 40.128 0.508 -32.165 61 1HG2 VAL 10 1HG2 VAL 10 41.734 -1.486 -29.114 62 2HG2 VAL 10 2HG2 VAL 10 42.457 0.079 -28.742 63 3HG2 VAL 10 3HG2 VAL 10 40.703 -0.107 -28.730 64 H VAL 11 H VAL 11 42.081 -2.035 -33.888 65 HA VAL 11 HA VAL 11 43.888 -0.119 -35.103 66 HB VAL 11 HB VAL 11 42.393 -2.447 -36.316 67 1HG1 VAL 11 1HG1 VAL 11 43.510 -0.253 -37.611 68 2HG1 VAL 11 2HG1 VAL 11 44.716 -1.530 -37.767 69 3HG1 VAL 11 3HG1 VAL 11 43.068 -1.800 -38.335 70 1HG2 VAL 11 1HG2 VAL 11 44.110 -3.064 -34.650 71 2HG2 VAL 11 2HG2 VAL 11 44.516 -3.601 -36.280 72 3HG2 VAL 11 3HG2 VAL 11 45.310 -2.183 -35.596 73 H TYR 12 H TYR 12 42.478 1.734 -34.711 74 HA TYR 12 HA TYR 12 39.916 1.980 -35.868 75 1HB TYR 12 1HB TYR 12 41.961 4.058 -35.074 76 2HB TYR 12 2HB TYR 12 40.347 4.462 -35.643 77 HD1 TYR 12 HD1 TYR 12 38.366 3.495 -34.322 78 HD2 TYR 12 HD2 TYR 12 42.343 3.638 -32.824 79 HE1 TYR 12 HE1 TYR 12 37.502 3.272 -32.029 80 HE2 TYR 12 HE2 TYR 12 41.493 3.416 -30.525 81 HH TYR 12 HH TYR 12 39.649 2.833 -29.291 82 H SER 13 H SER 13 39.824 4.171 -37.402 83 HA SER 13 HA SER 13 41.641 3.773 -39.656 84 1HB SER 13 1HB SER 13 38.666 3.421 -39.689 85 2HB SER 13 2HB SER 13 39.481 4.045 -41.123 86 HG SER 13 HG SER 13 39.186 1.598 -40.678 87 H VAL 14 H VAL 14 41.988 5.595 -40.899 88 HA VAL 14 HA VAL 14 42.005 8.055 -39.766 89 HB VAL 14 HB VAL 14 43.217 7.772 -41.773 90 1HG1 VAL 14 1HG1 VAL 14 40.986 6.338 -42.636 91 2HG1 VAL 14 2HG1 VAL 14 41.117 7.702 -43.746 92 3HG1 VAL 14 3HG1 VAL 14 42.486 6.613 -43.523 93 1HG2 VAL 14 1HG2 VAL 14 42.044 10.022 -41.320 94 2HG2 VAL 14 2HG2 VAL 14 42.761 9.753 -42.909 95 3HG2 VAL 14 3HG2 VAL 14 41.019 9.591 -42.690 96 H GLY 15 H GLY 15 40.075 8.432 -38.608 97 1HA GLY 15 1HA GLY 15 38.307 10.127 -38.837 98 2HA GLY 15 2HA GLY 15 37.834 9.313 -40.317 99 H MET 16 H MET 16 38.696 7.702 -37.301 100 HA MET 16 HA MET 16 35.902 6.775 -37.118 101 1HB MET 16 1HB MET 16 38.443 5.354 -37.043 102 2HB MET 16 2HB MET 16 37.432 4.985 -35.653 103 1HG MET 16 1HG MET 16 35.863 4.940 -38.052 104 2HG MET 16 2HG MET 16 37.278 3.905 -38.229 105 1HE MET 16 1HE MET 16 37.992 2.251 -36.930 106 2HE MET 16 2HE MET 16 37.374 1.762 -35.353 107 3HE MET 16 3HE MET 16 36.796 0.960 -36.813 108 H GLN 17 H GLN 17 36.305 9.125 -35.944 109 HA GLN 17 HA GLN 17 37.329 9.614 -33.556 110 1HB GLN 17 1HB GLN 17 34.512 10.118 -34.476 111 2HB GLN 17 2HB GLN 17 35.069 10.682 -32.907 112 1HG GLN 17 1HG GLN 17 36.608 12.157 -33.848 113 2HG GLN 17 2HG GLN 17 36.557 11.352 -35.416 114 2HE2 GLN 17 1HE2 GLN 17 34.516 13.140 -33.146 115 1HE2 GLN 17 2HE2 GLN 17 33.576 13.945 -34.350 116 H TRP 18 H TRP 18 37.401 8.790 -31.572 117 HA TRP 18 HA TRP 18 35.234 7.057 -30.646 118 1HB TRP 18 1HB TRP 18 36.706 5.301 -29.952 119 2HB TRP 18 2HB TRP 18 37.056 5.638 -31.643 120 HD1 TRP 18 HD1 TRP 18 38.585 5.901 -28.156 121 HE1 TRP 18 HE1 TRP 18 41.102 6.374 -28.391 122 HE3 TRP 18 HE3 TRP 18 38.793 6.725 -33.197 123 HZ2 TRP 18 HZ2 TRP 18 42.939 7.015 -30.448 124 HZ3 TRP 18 HZ3 TRP 18 40.963 7.261 -34.217 125 HH2 TRP 18 HH2 TRP 18 42.991 7.404 -32.869 126 H LEU 19 H LEU 19 36.082 6.299 -28.241 127 HA LEU 19 HA LEU 19 36.975 8.751 -26.886 128 1HB LEU 19 1HB LEU 19 34.428 8.190 -26.819 129 2HB LEU 19 2HB LEU 19 34.908 6.972 -25.652 130 HG LEU 19 HG LEU 19 36.073 8.936 -24.421 131 1HD1 LEU 19 1HD1 LEU 19 35.338 10.370 -26.580 132 2HD1 LEU 19 2HD1 LEU 19 33.967 10.679 -25.514 133 3HD1 LEU 19 3HD1 LEU 19 35.603 11.065 -24.981 134 1HD2 LEU 19 1HD2 LEU 19 33.906 7.620 -23.871 135 2HD2 LEU 19 2HD2 LEU 19 34.231 9.142 -23.041 136 3HD2 LEU 19 3HD2 LEU 19 33.089 9.097 -24.383 137 H LYS 20 H LYS 20 38.524 8.470 -25.418 138 HA LYS 20 HA LYS 20 39.121 5.711 -24.567 139 1HB LYS 20 1HB LYS 20 40.737 7.254 -26.096 140 2HB LYS 20 2HB LYS 20 41.300 7.706 -24.493 141 1HG LYS 20 1HG LYS 20 41.394 5.132 -24.105 142 2HG LYS 20 2HG LYS 20 41.422 5.065 -25.868 143 1HD LYS 20 1HD LYS 20 43.676 5.135 -25.341 144 2HD LYS 20 2HD LYS 20 43.310 6.833 -25.651 145 1HE LYS 20 1HE LYS 20 42.835 6.918 -23.095 146 2HE LYS 20 2HE LYS 20 43.796 5.441 -23.049 147 1HZ LYS 20 1HZ LYS 20 45.167 7.307 -24.608 148 2HZ LYS 20 2HZ LYS 20 44.688 8.096 -23.191 149 3HZ LYS 20 3HZ LYS 20 45.611 6.682 -23.099 150 H THR 21 H THR 21 39.904 5.398 -22.447 151 HA THR 21 HA THR 21 39.256 7.605 -20.603 152 HB THR 21 HB THR 21 39.205 5.388 -19.014 153 HG1 THR 21 HG1 THR 21 38.112 4.648 -21.544 154 1HG2 THR 21 1HG2 THR 21 37.529 7.315 -19.385 155 2HG2 THR 21 2HG2 THR 21 36.752 6.220 -20.529 156 3HG2 THR 21 3HG2 THR 21 36.907 5.760 -18.833 157 H GLN 22 H GLN 22 40.422 7.426 -18.466 158 HA GLN 22 HA GLN 22 43.184 6.487 -18.872 159 1HB GLN 22 1HB GLN 22 42.512 8.905 -17.222 160 2HB GLN 22 2HB GLN 22 44.067 8.432 -17.891 161 1HG GLN 22 1HG GLN 22 42.816 8.748 -20.176 162 2HG GLN 22 2HG GLN 22 41.762 9.774 -19.203 163 2HE2 GLN 22 1HE2 GLN 22 42.831 11.479 -17.941 164 1HE2 GLN 22 2HE2 GLN 22 44.218 12.256 -18.617 165 H GLY 23 H GLY 23 40.875 5.212 -17.544 166 1HA GLY 23 1HA GLY 23 40.567 3.888 -15.690 167 2HA GLY 23 2HA GLY 23 42.222 4.264 -15.237 168 H ASN 24 H ASN 24 40.100 6.927 -15.728 169 HA ASN 24 HA ASN 24 38.878 7.136 -13.232 170 1HB ASN 24 1HB ASN 24 41.501 7.295 -12.767 171 2HB ASN 24 2HB ASN 24 41.214 8.981 -13.186 172 2HD2 ASN 24 1HD2 ASN 24 41.036 6.629 -10.779 173 1HD2 ASN 24 2HD2 ASN 24 40.189 7.552 -9.591 174 H LYS 25 H LYS 25 40.436 8.819 -15.895 175 HA LYS 25 HA LYS 25 38.331 10.876 -15.749 176 1HB LYS 25 1HB LYS 25 40.953 11.228 -17.182 177 2HB LYS 25 2HB LYS 25 39.812 12.465 -16.673 178 1HG LYS 25 2HG LYS 25 40.470 11.324 -14.293 179 2HG LYS 25 1HG LYS 25 41.224 12.769 -14.971 180 1HD LYS 25 2HD LYS 25 42.371 10.293 -15.991 181 2HD LYS 25 1HD LYS 25 42.532 10.462 -14.242 182 1HE LYS 25 1HE LYS 25 43.548 12.285 -16.401 183 2HE LYS 25 2HE LYS 25 43.379 12.825 -14.731 184 1HZ LYS 25 1HZ LYS 25 44.712 10.533 -14.408 185 2HZ LYS 25 2HZ LYS 25 45.323 11.028 -15.906 186 3HZ LYS 25 3HZ LYS 25 45.460 12.044 -14.560 187 H GLN 26 H GLN 26 37.610 11.756 -17.812 188 HA GLN 26 HA GLN 26 37.417 9.640 -19.832 189 1HB GLN 26 1HB GLN 26 35.355 10.725 -18.790 190 2HB GLN 26 2HB GLN 26 35.776 12.167 -19.704 191 1HG GLN 26 1HG GLN 26 35.039 11.312 -21.636 192 2HG GLN 26 2HG GLN 26 35.682 9.707 -21.290 193 2HE2 GLN 26 1HE2 GLN 26 34.237 8.180 -20.985 194 1HE2 GLN 26 2HE2 GLN 26 32.603 8.407 -20.472 195 H MET 27 H MET 27 37.684 10.121 -22.072 196 HA MET 27 HA MET 27 38.645 12.674 -22.934 197 1HB MET 27 1HB MET 27 40.567 11.144 -21.739 198 2HB MET 27 2HB MET 27 40.744 10.672 -23.423 199 1HG MET 27 1HG MET 27 40.594 13.384 -23.620 200 2HG MET 27 2HG MET 27 41.431 13.172 -22.082 201 1HE MET 27 1HE MET 27 43.013 11.205 -21.858 202 2HE MET 27 2HE MET 27 43.342 10.173 -23.250 203 3HE MET 27 3HE MET 27 44.536 11.365 -22.734 204 H LEU 28 H LEU 28 38.041 12.904 -24.984 205 HA LEU 28 HA LEU 28 37.274 10.553 -26.523 206 1HB LEU 28 1HB LEU 28 35.711 12.397 -26.486 207 2HB LEU 28 2HB LEU 28 36.948 13.509 -27.040 208 HG LEU 28 HG LEU 28 36.880 11.561 -29.017 209 1HD1 LEU 28 1HD1 LEU 28 34.299 11.717 -27.668 210 2HD1 LEU 28 2HD1 LEU 28 34.213 12.046 -29.399 211 3HD1 LEU 28 3HD1 LEU 28 34.909 10.531 -28.823 212 1HD2 LEU 28 1HD2 LEU 28 36.381 14.362 -28.693 213 2HD2 LEU 28 2HD2 LEU 28 36.940 13.487 -30.119 214 3HD2 LEU 28 3HD2 LEU 28 35.212 13.676 -29.821 215 H CYS 29 H CYS 29 38.682 9.606 -27.845 216 HA CYS 29 HA CYS 29 40.927 11.200 -28.874 217 1HB CYS 29 1HB CYS 29 40.603 8.325 -28.151 218 2HB CYS 29 2HB CYS 29 41.763 8.745 -29.407 219 H THR 30 H THR 30 41.335 11.380 -31.013 220 HA THR 30 HA THR 30 39.714 9.835 -32.906 221 HB THR 30 HB THR 30 39.964 12.849 -32.994 222 HG1 THR 30 HG1 THR 30 38.136 11.194 -31.879 223 1HG2 THR 30 1HG2 THR 30 38.769 10.861 -34.919 224 2HG2 THR 30 2HG2 THR 30 38.361 12.577 -34.936 225 3HG2 THR 30 3HG2 THR 30 40.022 12.063 -35.235 226 H CYS 31 H CYS 31 40.580 9.722 -35.026 227 HA CYS 31 HA CYS 31 43.431 10.443 -35.167 228 1HB CYS 31 1HB CYS 31 43.633 8.535 -36.779 229 2HB CYS 31 2HB CYS 31 43.223 8.056 -35.136 230 H LEU 32 H LEU 32 43.509 12.276 -36.288 231 HA LEU 32 HA LEU 32 41.710 12.837 -38.458 232 1HB LEU 32 1HB LEU 32 43.437 14.828 -38.685 233 2HB LEU 32 2HB LEU 32 42.213 14.801 -37.431 234 HG LEU 32 HG LEU 32 44.767 13.543 -36.681 235 1HD1 LEU 32 1HD1 LEU 32 44.644 16.299 -37.711 236 2HD1 LEU 32 2HD1 LEU 32 45.476 16.074 -36.172 237 3HD1 LEU 32 3HD1 LEU 32 46.004 15.181 -37.598 238 1HD2 LEU 32 1HD2 LEU 32 42.894 13.874 -35.127 239 2HD2 LEU 32 2HD2 LEU 32 44.343 14.738 -34.609 240 3HD2 LEU 32 3HD2 LEU 32 43.016 15.617 -35.368 241 H GLY 33 H GLY 33 45.054 13.716 -38.885 242 1HA GLY 33 1HA GLY 33 45.385 11.662 -40.954 243 2HA GLY 33 2HA GLY 33 45.511 13.349 -41.422 244 H ASN 34 H ASN 34 46.864 14.312 -39.145 245 HA ASN 34 HA ASN 34 49.537 13.581 -39.832 246 1HB ASN 34 1HB ASN 34 50.222 15.360 -38.494 247 2HB ASN 34 2HB ASN 34 48.616 15.872 -38.998 248 2HD2 ASN 34 1HD2 ASN 34 50.158 16.660 -36.670 249 1HD2 ASN 34 2HD2 ASN 34 49.193 16.266 -35.293 250 H GLY 35 H GLY 35 47.253 12.576 -37.460 251 1HA GLY 35 1HA GLY 35 48.681 10.312 -36.690 252 2HA GLY 35 2HA GLY 35 49.025 11.561 -35.504 253 H VAL 36 H VAL 36 47.822 11.340 -33.752 254 HA VAL 36 HA VAL 36 44.949 10.951 -34.027 255 HB VAL 36 HB VAL 36 46.763 9.019 -32.612 256 1HG1 VAL 36 1HG1 VAL 36 43.993 9.809 -31.827 257 2HG1 VAL 36 2HG1 VAL 36 44.506 8.131 -31.646 258 3HG1 VAL 36 3HG1 VAL 36 45.379 9.415 -30.810 259 1HG2 VAL 36 1HG2 VAL 36 44.824 8.962 -34.799 260 2HG2 VAL 36 2HG2 VAL 36 46.199 7.907 -34.470 261 3HG2 VAL 36 3HG2 VAL 36 44.662 7.634 -33.648 262 H SER 37 H SER 37 44.050 12.515 -32.891 263 HA SER 37 HA SER 37 45.404 13.463 -30.454 264 1HB SER 37 1HB SER 37 45.224 15.175 -32.214 265 2HB SER 37 2HB SER 37 43.476 14.951 -32.255 266 HG SER 37 HG SER 37 45.033 15.918 -30.091 267 H CYS 38 H CYS 38 43.634 14.656 -29.003 268 HA CYS 38 HA CYS 38 41.099 13.275 -28.922 269 1HB CYS 38 1HB CYS 38 42.804 13.002 -26.469 270 2HB CYS 38 2HB CYS 38 41.368 12.093 -26.922 271 H GLN 39 H GLN 39 39.849 13.975 -26.892 272 HA GLN 39 HA GLN 39 40.514 16.779 -26.273 273 1HB GLN 39 1HB GLN 39 38.463 16.188 -27.814 274 2HB GLN 39 2HB GLN 39 37.682 15.817 -26.283 275 1HG GLN 39 1HG GLN 39 37.124 17.970 -26.254 276 2HG GLN 39 2HG GLN 39 38.796 18.253 -25.771 277 2HE2 GLN 39 1HE2 GLN 39 37.350 17.367 -28.882 278 1HE2 GLN 39 2HE2 GLN 39 37.978 18.719 -29.756 279 H GLU 40 H GLU 40 41.270 16.731 -24.246 280 HA GLU 40 HA GLU 40 40.740 14.877 -22.275 281 1HB GLU 40 1HB GLU 40 42.274 17.162 -22.480 282 2HB GLU 40 2HB GLU 40 41.133 17.562 -21.203 283 1HG GLU 40 1HG GLU 40 41.774 15.310 -20.181 284 2HG GLU 40 2HG GLU 40 43.141 15.345 -21.294 285 H THR 41 H THR 41 39.150 14.507 -20.861 286 HA THR 41 HA THR 41 37.258 14.789 -19.607 287 HB THR 41 HB THR 41 37.069 17.632 -20.590 288 HG1 THR 41 HG1 THR 41 38.986 16.486 -19.027 289 1HG2 THR 41 1HG2 THR 41 36.043 16.139 -18.186 290 2HG2 THR 41 2HG2 THR 41 36.095 17.900 -18.258 291 3HG2 THR 41 3HG2 THR 41 35.117 16.999 -19.416 292 H ALA 42 H ALA 42 37.012 16.633 -22.652 293 HA ALA 42 HA ALA 42 35.582 16.418 -24.421 294 1HB ALA 42 2HB ALA 42 33.945 14.223 -23.847 295 2HB ALA 42 3HB ALA 42 35.362 14.257 -24.896 296 3HB ALA 42 1HB ALA 42 35.533 13.814 -23.198 297 H VAL 43 H VAL 43 33.794 15.237 -21.568 298 HA VAL 43 HA VAL 43 31.392 16.573 -22.251 299 HB VAL 43 HB VAL 43 30.537 15.869 -20.157 300 1HG1 VAL 43 1HG1 VAL 43 32.213 14.051 -21.698 301 2HG1 VAL 43 2HG1 VAL 43 31.932 13.503 -20.045 302 3HG1 VAL 43 3HG1 VAL 43 30.565 13.845 -21.105 303 1HG2 VAL 43 1HG2 VAL 43 33.363 16.052 -19.306 304 2HG2 VAL 43 2HG2 VAL 43 31.886 16.468 -18.437 305 3HG2 VAL 43 3HG2 VAL 43 32.393 14.783 -18.559 306 H THR 44 H THR 44 30.387 17.971 -20.300 307 HA THR 44 HA THR 44 32.235 19.898 -19.206 308 HB THR 44 HB THR 44 30.131 21.191 -20.856 309 HG1 THR 44 HG1 THR 44 30.982 20.627 -22.712 310 1HG2 THR 44 1HG2 THR 44 33.000 21.827 -20.163 311 2HG2 THR 44 2HG2 THR 44 31.962 22.849 -21.158 312 3HG2 THR 44 3HG2 THR 44 31.552 22.557 -19.468 313 H GLN 45 H GLN 45 31.125 21.532 -17.868 314 HA GLN 45 HA GLN 45 29.251 20.381 -16.151 315 1HB GLN 45 2HB GLN 45 29.104 22.538 -15.087 316 2HB GLN 45 1HB GLN 45 29.701 23.345 -16.531 317 1HG GLN 45 1HG GLN 45 31.753 21.695 -16.083 318 2HG GLN 45 2HG GLN 45 31.636 23.311 -15.387 319 2HE2 GLN 45 1HE2 GLN 45 32.927 20.763 -14.485 320 1HE2 GLN 45 2HE2 GLN 45 32.344 20.523 -12.877 321 H THR 46 H THR 46 27.059 20.476 -15.968 322 HA THR 46 HA THR 46 25.614 21.763 -18.191 323 HB THR 46 HB THR 46 23.803 19.984 -17.523 324 HG1 THR 46 HG1 THR 46 24.720 18.930 -15.843 325 1HG2 THR 46 1HG2 THR 46 25.944 20.049 -19.423 326 2HG2 THR 46 2HG2 THR 46 25.653 18.381 -18.928 327 3HG2 THR 46 3HG2 THR 46 24.335 19.348 -19.590 328 H TYR 47 H TYR 47 24.163 23.261 -17.691 329 HA TYR 47 HA TYR 47 23.123 23.365 -14.938 330 1HB TYR 47 1HB TYR 47 23.167 25.880 -15.185 331 2HB TYR 47 2HB TYR 47 24.746 25.112 -15.059 332 HD1 TYR 47 HD1 TYR 47 22.305 26.286 -17.627 333 HD2 TYR 47 HD2 TYR 47 26.387 25.661 -16.604 334 HE1 TYR 47 HE1 TYR 47 22.990 27.370 -19.725 335 HE2 TYR 47 HE2 TYR 47 27.082 26.744 -18.699 336 HH TYR 47 HH TYR 47 25.979 27.110 -21.038 337 H GLY 48 H GLY 48 21.016 24.154 -14.681 338 1HA GLY 48 1HA GLY 48 18.789 24.061 -15.323 339 2HA GLY 48 2HA GLY 48 19.312 25.394 -16.340 340 H GLY 49 H GLY 49 18.267 25.092 -18.211 341 1HA GLY 49 1HA GLY 49 18.086 24.176 -20.347 342 2HA GLY 49 2HA GLY 49 18.965 22.761 -19.789 343 H ASN 50 H ASN 50 17.811 20.963 -19.789 344 HA ASN 50 HA ASN 50 14.915 21.159 -19.282 345 1HB ASN 50 1HB ASN 50 16.396 19.891 -21.456 346 2HB ASN 50 2HB ASN 50 15.277 18.786 -20.663 347 2HD2 ASN 50 1HD2 ASN 50 13.042 19.521 -20.438 348 1HD2 ASN 50 2HD2 ASN 50 12.368 20.512 -21.683 349 H SER 51 H SER 51 17.861 19.922 -18.233 350 HA SER 51 HA SER 51 16.481 17.967 -16.515 351 1HB SER 51 1HB SER 51 18.942 17.688 -18.145 352 2HB SER 51 2HB SER 51 18.998 16.990 -16.526 353 HG SER 51 HG SER 51 17.980 15.384 -17.415 354 H ASN 52 H ASN 52 17.603 20.901 -16.381 355 HA ASN 52 HA ASN 52 18.609 22.252 -14.846 356 1HB ASN 52 1HB ASN 52 16.700 21.416 -13.530 357 2HB ASN 52 2HB ASN 52 17.682 20.068 -12.967 358 2HD2 ASN 52 1HD2 ASN 52 17.363 23.565 -12.931 359 1HD2 ASN 52 2HD2 ASN 52 18.209 23.813 -11.445 360 H GLY 53 H GLY 53 20.313 20.288 -16.135 361 1HA GLY 53 1HA GLY 53 22.590 19.874 -16.004 362 2HA GLY 53 2HA GLY 53 22.582 20.523 -14.371 363 H GLU 54 H GLU 54 23.167 17.820 -16.096 364 HA GLU 54 HA GLU 54 23.285 16.156 -13.800 365 1HB GLU 54 1HB GLU 54 21.447 14.848 -13.957 366 2HB GLU 54 2HB GLU 54 20.772 16.229 -14.803 367 1HG GLU 54 1HG GLU 54 21.502 15.181 -16.944 368 2HG GLU 54 2HG GLU 54 21.962 13.753 -16.019 369 HA PRO 55 HA PRO 55 26.226 13.909 -16.165 370 1HB PRO 55 1HB PRO 55 25.531 11.273 -15.798 371 2HB PRO 55 2HB PRO 55 26.403 12.247 -14.610 372 1HG PRO 55 2HG PRO 55 24.567 11.644 -13.331 373 2HG PRO 55 1HG PRO 55 23.494 11.572 -14.742 374 1HD PRO 55 1HD PRO 55 22.837 13.622 -13.902 375 2HD PRO 55 2HD PRO 55 24.429 13.950 -13.187 376 H CYS 56 H CYS 56 25.773 14.487 -18.275 377 HA CYS 56 HA CYS 56 23.670 13.734 -19.870 378 1HB CYS 56 1HB CYS 56 26.472 13.868 -20.962 379 2HB CYS 56 2HB CYS 56 24.969 14.361 -21.734 380 H VAL 57 H VAL 57 23.893 12.245 -21.866 381 HA VAL 57 HA VAL 57 25.071 9.676 -21.035 382 HB VAL 57 HB VAL 57 22.573 9.745 -20.762 383 1HG1 VAL 57 1HG1 VAL 57 22.581 11.008 -23.182 384 2HG1 VAL 57 2HG1 VAL 57 22.105 9.369 -23.625 385 3HG1 VAL 57 3HG1 VAL 57 21.171 10.266 -22.429 386 1HG2 VAL 57 1HG2 VAL 57 24.157 7.715 -21.485 387 2HG2 VAL 57 2HG2 VAL 57 22.420 7.535 -21.242 388 3HG2 VAL 57 3HG2 VAL 57 23.067 7.731 -22.871 389 H LEU 58 H LEU 58 26.773 10.806 -22.484 390 HA LEU 58 HA LEU 58 26.221 10.170 -25.304 391 1HB LEU 58 1HB LEU 58 28.575 11.586 -25.319 392 2HB LEU 58 2HB LEU 58 26.986 12.229 -25.681 393 HG LEU 58 HG LEU 58 28.188 13.668 -24.128 394 1HD1 LEU 58 1HD1 LEU 58 25.600 12.884 -23.919 395 2HD1 LEU 58 2HD1 LEU 58 26.189 12.578 -22.285 396 3HD1 LEU 58 3HD1 LEU 58 26.335 14.189 -22.988 397 1HD2 LEU 58 1HD2 LEU 58 29.047 11.257 -23.001 398 2HD2 LEU 58 2HD2 LEU 58 29.422 12.892 -22.457 399 3HD2 LEU 58 3HD2 LEU 58 28.044 12.030 -21.773 400 HA PRO 59 HA PRO 59 28.204 10.726 -26.930 401 1HB PRO 59 1HB PRO 59 28.705 9.028 -28.982 402 2HB PRO 59 2HB PRO 59 29.987 9.860 -28.093 403 1HG PRO 59 2HG PRO 59 30.654 7.651 -27.799 404 2HG PRO 59 1HG PRO 59 28.983 7.056 -27.788 405 1HD PRO 59 1HD PRO 59 29.331 7.053 -25.510 406 2HD PRO 59 2HD PRO 59 30.559 8.331 -25.599 407 H PHE 60 H PHE 60 26.208 11.167 -27.610 408 HA PHE 60 HA PHE 60 24.300 8.952 -27.915 409 1HB PHE 60 1HB PHE 60 22.578 10.818 -27.794 410 2HB PHE 60 2HB PHE 60 23.490 10.518 -26.318 411 HD1 PHE 60 HD1 PHE 60 23.655 12.630 -29.387 412 HD2 PHE 60 HD2 PHE 60 24.362 12.324 -25.203 413 HE1 PHE 60 HE1 PHE 60 24.329 14.995 -29.333 414 HE2 PHE 60 HE2 PHE 60 25.037 14.689 -25.139 415 HZ PHE 60 HZ PHE 60 25.021 16.027 -27.207 416 H THR 61 H THR 61 22.409 9.885 -29.506 417 HA THR 61 HA THR 61 23.788 10.686 -31.983 418 HB THR 61 HB THR 61 21.355 9.128 -32.413 419 HG1 THR 61 HG1 THR 61 21.823 7.503 -31.154 420 1HG2 THR 61 1HG2 THR 61 24.209 8.952 -33.372 421 2HG2 THR 61 2HG2 THR 61 22.920 7.887 -33.931 422 3HG2 THR 61 3HG2 THR 61 22.825 9.622 -34.237 423 H TYR 62 H TYR 62 23.041 12.503 -32.844 424 HA TYR 62 HA TYR 62 20.211 13.186 -32.539 425 1HB TYR 62 1HB TYR 62 21.288 14.417 -30.755 426 2HB TYR 62 2HB TYR 62 22.512 15.029 -31.864 427 HD1 TYR 62 HD1 TYR 62 18.829 15.053 -31.295 428 HD2 TYR 62 HD2 TYR 62 22.205 17.094 -32.885 429 HE1 TYR 62 HE1 TYR 62 17.417 17.012 -31.762 430 HE2 TYR 62 HE2 TYR 62 20.803 19.060 -33.356 431 HH TYR 62 HH TYR 62 17.344 19.087 -32.538 432 H ASN 63 H ASN 63 19.330 13.906 -34.373 433 HA ASN 63 HA ASN 63 19.104 14.739 -36.483 434 1HB ASN 63 1HB ASN 63 21.306 16.171 -35.428 435 2HB ASN 63 2HB ASN 63 21.753 15.685 -37.060 436 2HD2 ASN 63 1HD2 ASN 63 21.458 18.312 -36.424 437 1HD2 ASN 63 2HD2 ASN 63 20.056 18.952 -37.203 438 H GLY 64 H GLY 64 20.910 12.221 -35.596 439 1HA GLY 64 1HA GLY 64 21.038 10.334 -37.111 440 2HA GLY 64 2HA GLY 64 21.445 11.461 -38.395 441 H ARG 65 H ARG 65 23.198 12.760 -36.137 442 HA ARG 65 HA ARG 65 25.532 11.081 -36.726 443 1HB ARG 65 1HB ARG 65 26.870 13.076 -36.186 444 2HB ARG 65 2HB ARG 65 25.715 13.388 -37.473 445 1HG ARG 65 1HG ARG 65 24.621 14.001 -34.863 446 2HG ARG 65 2HG ARG 65 26.100 14.903 -35.202 447 1HD ARG 65 1HD ARG 65 24.597 14.980 -37.565 448 2HD ARG 65 2HD ARG 65 23.449 15.271 -36.258 449 HE ARG 65 HE ARG 65 24.422 17.312 -35.911 450 1HH1 ARG 65 1HH1 ARG 65 26.565 15.341 -37.820 451 2HH1 ARG 65 2HH1 ARG 65 27.680 16.628 -38.134 452 1HH2 ARG 65 1HH2 ARG 65 25.884 19.016 -36.317 453 2HH2 ARG 65 2HH2 ARG 65 27.294 18.718 -37.279 454 H THR 66 H THR 66 27.259 11.959 -34.745 455 HA THR 66 HA THR 66 25.932 11.159 -32.243 456 HB THR 66 HB THR 66 28.608 10.119 -33.194 457 HG1 THR 66 HG1 THR 66 26.046 9.213 -33.492 458 1HG2 THR 66 1HG2 THR 66 28.406 10.469 -30.732 459 2HG2 THR 66 2HG2 THR 66 27.027 9.368 -30.735 460 3HG2 THR 66 3HG2 THR 66 28.625 8.781 -31.195 461 H PHE 67 H PHE 67 26.952 11.862 -30.307 462 HA PHE 67 HA PHE 67 29.103 13.821 -30.566 463 1HB PHE 67 1HB PHE 67 26.605 14.513 -29.028 464 2HB PHE 67 2HB PHE 67 27.936 15.575 -29.474 465 HD1 PHE 67 HD1 PHE 67 25.181 13.549 -30.917 466 HD2 PHE 67 HD2 PHE 67 27.823 16.848 -31.409 467 HE1 PHE 67 HE1 PHE 67 23.952 14.227 -32.937 468 HE2 PHE 67 HE2 PHE 67 26.599 17.532 -33.430 469 HZ PHE 67 HZ PHE 67 24.662 16.219 -34.197 470 H TYR 68 H TYR 68 30.597 13.286 -29.121 471 HA TYR 68 HA TYR 68 29.948 11.596 -26.877 472 1HB TYR 68 1HB TYR 68 32.551 12.802 -27.827 473 2HB TYR 68 2HB TYR 68 32.418 11.736 -26.433 474 HD1 TYR 68 HD1 TYR 68 31.040 11.661 -29.916 475 HD2 TYR 68 HD2 TYR 68 33.246 9.639 -26.894 476 HE1 TYR 68 HE1 TYR 68 31.276 9.713 -31.398 477 HE2 TYR 68 HE2 TYR 68 33.491 7.688 -28.366 478 HH TYR 68 HH TYR 68 32.032 6.752 -30.438 479 H SER 69 H SER 69 29.490 14.759 -27.284 480 HA SER 69 HA SER 69 29.417 15.309 -24.488 481 1HB SER 69 1HB SER 69 31.093 17.403 -25.575 482 2HB SER 69 2HB SER 69 31.344 16.403 -24.144 483 HG SER 69 HG SER 69 32.290 16.076 -26.740 484 H CYS 70 H CYS 70 29.228 17.967 -24.350 485 HA CYS 70 HA CYS 70 26.731 18.603 -25.258 486 1HB CYS 70 2HB CYS 70 27.278 20.927 -24.791 487 2HB CYS 70 1HB CYS 70 28.996 20.567 -24.858 488 H THR 71 H THR 71 26.258 20.548 -26.767 489 HA THR 71 HA THR 71 27.848 21.108 -28.994 490 HB THR 71 HB THR 71 27.414 18.639 -29.416 491 HG1 THR 71 HG1 THR 71 27.825 19.274 -31.385 492 1HG2 THR 71 1HG2 THR 71 24.634 19.719 -29.855 493 2HG2 THR 71 2HG2 THR 71 25.192 18.176 -30.501 494 3HG2 THR 71 3HG2 THR 71 25.132 18.431 -28.757 495 H THR 72 H THR 72 26.722 22.334 -30.636 496 HA THR 72 HA THR 72 24.100 23.322 -29.717 497 HB THR 72 HB THR 72 24.987 25.425 -31.133 498 HG1 THR 72 HG1 THR 72 27.056 25.143 -31.507 499 1HG2 THR 72 1HG2 THR 72 25.300 24.709 -28.244 500 2HG2 THR 72 2HG2 THR 72 25.916 26.251 -28.838 501 3HG2 THR 72 3HG2 THR 72 24.202 25.866 -28.997 502 H GLU 73 H GLU 73 24.343 21.169 -31.494 503 HA GLU 73 HA GLU 73 23.866 22.258 -34.160 504 1HB GLU 73 1HB GLU 73 24.102 19.423 -33.146 505 2HB GLU 73 2HB GLU 73 23.767 19.842 -34.820 506 1HG GLU 73 1HG GLU 73 26.221 20.706 -33.311 507 2HG GLU 73 2HG GLU 73 26.139 19.297 -34.368 508 H GLY 74 H GLY 74 22.031 22.071 -31.558 509 1HA GLY 74 1HA GLY 74 19.655 21.102 -33.021 510 2HA GLY 74 2HA GLY 74 19.829 21.029 -31.274 511 H ARG 75 H ARG 75 21.139 23.904 -32.157 512 HA ARG 75 HA ARG 75 18.599 25.351 -32.239 513 1HB ARG 75 1HB ARG 75 19.683 26.953 -30.500 514 2HB ARG 75 2HB ARG 75 18.904 25.478 -29.946 515 1HG ARG 75 1HG ARG 75 21.389 24.551 -30.263 516 2HG ARG 75 2HG ARG 75 21.752 26.244 -29.920 517 1HD ARG 75 1HD ARG 75 20.113 24.374 -28.221 518 2HD ARG 75 2HD ARG 75 21.733 24.958 -27.867 519 HE ARG 75 HE ARG 75 20.751 27.206 -27.691 520 1HH1 ARG 75 1HH1 ARG 75 18.602 24.453 -27.343 521 2HH1 ARG 75 2HH1 ARG 75 17.436 25.341 -26.430 522 1HH2 ARG 75 1HH2 ARG 75 19.206 28.346 -26.492 523 2HH2 ARG 75 2HH2 ARG 75 17.773 27.539 -25.947 524 H GLN 76 H GLN 76 19.066 27.794 -32.462 525 HA GLN 76 HA GLN 76 21.315 28.128 -34.337 526 1HB GLN 76 2HB GLN 76 20.010 29.473 -35.712 527 2HB GLN 76 1HB GLN 76 18.877 29.865 -34.426 528 1HG GLN 76 1HG GLN 76 19.003 27.032 -35.221 529 2HG GLN 76 2HG GLN 76 17.618 28.033 -34.787 530 2HE2 GLN 76 1HE2 GLN 76 16.259 28.337 -36.383 531 1HE2 GLN 76 2HE2 GLN 76 16.651 28.427 -38.063 532 H ASP 77 H ASP 77 20.951 28.639 -31.338 533 HA ASP 77 HA ASP 77 21.484 31.518 -31.277 534 1HB ASP 77 1HB ASP 77 21.425 31.020 -28.712 535 2HB ASP 77 2HB ASP 77 19.918 31.081 -29.622 536 H GLY 78 H GLY 78 22.818 28.500 -29.959 537 1HA GLY 78 1HA GLY 78 25.251 28.174 -30.458 538 2HA GLY 78 2HA GLY 78 25.459 29.824 -29.893 539 H HIS 79 H HIS 79 23.136 27.956 -28.208 540 HA HIS 79 HA HIS 79 24.845 27.947 -25.856 541 1HB HIS 79 2HB HIS 79 22.827 27.379 -24.619 542 2HB HIS 79 1HB HIS 79 21.947 27.118 -26.121 543 HD1 HIS 79 HD1 HIS 79 23.805 29.968 -26.889 544 HD2 HIS 79 HD2 HIS 79 20.527 29.298 -24.426 545 HE1 HIS 79 HE1 HIS 79 22.715 32.213 -26.598 546 HE2 HIS 79 HE2 HIS 79 20.811 31.804 -24.999 547 H LEU 80 H LEU 80 26.062 26.255 -25.383 548 HA LEU 80 HA LEU 80 25.899 23.778 -26.723 549 1HB LEU 80 1HB LEU 80 27.392 24.773 -24.322 550 2HB LEU 80 2HB LEU 80 27.434 23.071 -24.738 551 HG LEU 80 HG LEU 80 28.311 23.706 -26.993 552 1HD1 LEU 80 1HD1 LEU 80 28.403 26.434 -25.721 553 2HD1 LEU 80 2HD1 LEU 80 29.300 25.989 -27.173 554 3HD1 LEU 80 3HD1 LEU 80 27.537 25.957 -27.182 555 1HD2 LEU 80 1HD2 LEU 80 29.636 23.301 -24.680 556 2HD2 LEU 80 2HD2 LEU 80 30.428 23.547 -26.236 557 3HD2 LEU 80 3HD2 LEU 80 30.244 24.898 -25.117 558 H TRP 81 H TRP 81 24.914 21.891 -26.220 559 HA TRP 81 HA TRP 81 23.700 21.567 -23.588 560 1HB TRP 81 1HB TRP 81 21.524 20.941 -24.541 561 2HB TRP 81 2HB TRP 81 21.940 22.605 -24.938 562 HD1 TRP 81 HD1 TRP 81 22.381 23.189 -27.492 563 HE1 TRP 81 HE1 TRP 81 21.871 21.927 -29.676 564 HE3 TRP 81 HE3 TRP 81 21.406 18.562 -25.548 565 HZ2 TRP 81 HZ2 TRP 81 21.152 19.315 -30.470 566 HZ3 TRP 81 HZ3 TRP 81 20.815 16.736 -27.088 567 HH2 TRP 81 HH2 TRP 81 20.690 17.107 -29.498 568 H CYS 82 H CYS 82 23.070 19.381 -23.113 569 HA CYS 82 HA CYS 82 24.208 17.360 -24.921 570 1HB CYS 82 1HB CYS 82 25.364 16.267 -23.184 571 2HB CYS 82 2HB CYS 82 25.715 17.974 -22.937 572 H SER 83 H SER 83 23.577 15.073 -23.982 573 HA SER 83 HA SER 83 20.692 15.187 -23.406 574 1HB SER 83 1HB SER 83 20.503 13.892 -25.231 575 2HB SER 83 2HB SER 83 22.249 13.675 -25.331 576 HG SER 83 HG SER 83 21.152 11.695 -24.989 577 H THR 84 H THR 84 19.797 13.740 -21.904 578 HA THR 84 HA THR 84 21.756 12.542 -20.056 579 HB THR 84 HB THR 84 20.321 13.009 -18.213 580 HG1 THR 84 HG1 THR 84 18.241 13.781 -18.468 581 1HG2 THR 84 1HG2 THR 84 21.680 14.909 -19.018 582 2HG2 THR 84 2HG2 THR 84 20.316 15.446 -19.999 583 3HG2 THR 84 3HG2 THR 84 20.187 15.436 -18.241 584 H THR 85 H THR 85 19.363 11.853 -22.262 585 HA THR 85 HA THR 85 18.888 9.217 -21.036 586 HB THR 85 HB THR 85 16.891 10.777 -22.689 587 HG1 THR 85 HG1 THR 85 17.457 10.883 -20.073 588 1HG2 THR 85 1HG2 THR 85 17.006 7.993 -21.691 589 2HG2 THR 85 2HG2 THR 85 15.462 8.828 -21.521 590 3HG2 THR 85 3HG2 THR 85 16.201 8.656 -23.113 591 H SER 86 H SER 86 19.657 7.611 -22.238 592 HA SER 86 HA SER 86 21.032 7.748 -24.553 593 1HB SER 86 1HB SER 86 19.319 5.366 -24.526 594 2HB SER 86 2HB SER 86 21.076 5.492 -24.451 595 HG SER 86 HG SER 86 19.207 5.678 -22.338 596 H ASN 87 H ASN 87 17.574 7.862 -24.212 597 HA ASN 87 HA ASN 87 17.281 7.974 -27.139 598 1HB ASN 87 1HB ASN 87 15.927 6.390 -25.345 599 2HB ASN 87 2HB ASN 87 14.821 7.743 -25.557 600 2HD2 ASN 87 1HD2 ASN 87 15.058 4.805 -26.494 601 1HD2 ASN 87 2HD2 ASN 87 14.623 4.900 -28.163 602 H TYR 88 H TYR 88 17.990 10.221 -27.073 603 HA TYR 88 HA TYR 88 16.407 12.161 -25.669 604 1HB TYR 88 1HB TYR 88 18.614 12.863 -25.989 605 2HB TYR 88 2HB TYR 88 18.654 12.302 -27.657 606 HD1 TYR 88 HD1 TYR 88 17.587 15.004 -25.415 607 HD2 TYR 88 HD2 TYR 88 17.787 13.673 -29.451 608 HE1 TYR 88 HE1 TYR 88 17.060 17.279 -26.186 609 HE2 TYR 88 HE2 TYR 88 17.262 15.944 -30.233 610 HH TYR 88 HH TYR 88 16.981 18.646 -27.977 611 H GLU 89 H GLU 89 16.316 10.616 -28.753 612 HA GLU 89 HA GLU 89 14.658 12.580 -30.027 613 1HB GLU 89 1HB GLU 89 15.275 9.719 -30.784 614 2HB GLU 89 2HB GLU 89 14.403 10.860 -31.799 615 1HG GLU 89 1HG GLU 89 16.292 12.146 -32.198 616 2HG GLU 89 2HG GLU 89 17.148 11.496 -30.800 617 H GLN 90 H GLN 90 14.072 10.426 -27.600 618 HA GLN 90 HA GLN 90 11.232 10.182 -28.337 619 1HB GLN 90 1HB GLN 90 11.623 7.967 -28.173 620 2HB GLN 90 2HB GLN 90 13.147 8.205 -27.334 621 1HG GLN 90 1HG GLN 90 11.767 6.991 -25.869 622 2HG GLN 90 2HG GLN 90 11.799 8.641 -25.251 623 2HE2 GLN 90 1HE2 GLN 90 9.870 8.395 -24.148 624 1HE2 GLN 90 2HE2 GLN 90 8.344 8.309 -24.954 625 H ASP 91 H ASP 91 13.558 10.770 -25.765 626 HA ASP 91 HA ASP 91 11.418 11.571 -23.943 627 1HB ASP 91 1HB ASP 91 14.395 11.409 -23.432 628 2HB ASP 91 2HB ASP 91 13.134 11.632 -22.223 629 H GLN 92 H GLN 92 14.317 12.885 -25.498 630 HA GLN 92 HA GLN 92 14.746 15.027 -26.199 631 1HB GLN 92 1HB GLN 92 11.974 15.104 -25.729 632 2HB GLN 92 2HB GLN 92 12.641 16.498 -24.890 633 1HG GLN 92 1HG GLN 92 11.905 16.880 -27.262 634 2HG GLN 92 2HG GLN 92 13.548 17.387 -26.871 635 2HE2 GLN 92 1HE2 GLN 92 12.283 14.159 -27.547 636 1HE2 GLN 92 2HE2 GLN 92 13.272 13.867 -28.933 637 H LYS 93 H LYS 93 14.844 13.800 -23.244 638 HA LYS 93 HA LYS 93 15.202 16.054 -21.561 639 1HB LYS 93 1HB LYS 93 16.043 13.168 -21.351 640 2HB LYS 93 2HB LYS 93 16.454 14.347 -20.113 641 1HG LYS 93 1HG LYS 93 14.277 12.831 -19.985 642 2HG LYS 93 2HG LYS 93 14.338 14.463 -19.320 643 1HD LYS 93 1HD LYS 93 13.265 15.361 -21.272 644 2HD LYS 93 2HD LYS 93 13.366 13.806 -22.099 645 1HE LYS 93 1HE LYS 93 11.623 12.920 -20.938 646 2HE LYS 93 2HE LYS 93 11.973 13.857 -19.486 647 1HZ LYS 93 1HZ LYS 93 11.205 15.587 -21.579 648 2HZ LYS 93 2HZ LYS 93 10.040 14.373 -21.406 649 3HZ LYS 93 3HZ LYS 93 10.459 15.339 -20.081 650 H TYR 94 H TYR 94 16.687 17.551 -21.989 651 HA TYR 94 HA TYR 94 19.451 16.663 -22.438 652 1HB TYR 94 1HB TYR 94 19.799 18.143 -24.229 653 2HB TYR 94 2HB TYR 94 18.227 17.425 -24.569 654 HD1 TYR 94 HD1 TYR 94 19.775 20.414 -22.963 655 HD2 TYR 94 HD2 TYR 94 16.408 18.808 -25.008 656 HE1 TYR 94 HE1 TYR 94 18.784 22.660 -23.082 657 HE2 TYR 94 HE2 TYR 94 15.407 21.050 -25.134 658 HH TYR 94 HH TYR 94 16.824 23.712 -24.947 659 H SER 95 H SER 95 21.034 18.445 -22.086 660 HA SER 95 HA SER 95 20.096 20.450 -20.157 661 1HB SER 95 1HB SER 95 22.560 19.833 -19.152 662 2HB SER 95 2HB SER 95 21.043 19.182 -18.532 663 HG SER 95 HG SER 95 22.808 17.652 -19.138 664 H PHE 96 H PHE 96 21.727 22.194 -19.813 665 HA PHE 96 HA PHE 96 22.937 22.880 -22.378 666 1HB PHE 96 1HB PHE 96 22.167 24.441 -19.934 667 2HB PHE 96 2HB PHE 96 23.298 25.124 -21.097 668 HD1 PHE 96 HD1 PHE 96 22.291 24.387 -23.661 669 HD2 PHE 96 HD2 PHE 96 20.129 25.463 -20.158 670 HE1 PHE 96 HE1 PHE 96 20.405 25.128 -25.058 671 HE2 PHE 96 HE2 PHE 96 18.238 26.203 -21.546 672 HZ PHE 96 HZ PHE 96 18.375 26.037 -24.000 673 H CYS 97 H CYS 97 24.992 24.419 -21.950 674 HA CYS 97 HA CYS 97 26.785 23.345 -19.951 675 1HB CYS 97 1HB CYS 97 27.591 23.095 -22.848 676 2HB CYS 97 2HB CYS 97 28.423 22.458 -21.434 677 H THR 98 H THR 98 28.592 24.646 -19.586 678 HA THR 98 HA THR 98 28.373 27.328 -20.728 679 HB THR 98 HB THR 98 28.639 27.823 -18.548 680 HG1 THR 98 HG1 THR 98 30.576 28.650 -18.594 681 1HG2 THR 98 1HG2 THR 98 29.908 25.110 -18.275 682 2HG2 THR 98 2HG2 THR 98 29.875 26.270 -16.946 683 3HG2 THR 98 3HG2 THR 98 28.365 25.671 -17.632 684 H ASP 99 H ASP 99 31.198 25.468 -19.655 685 HA ASP 99 HA ASP 99 33.117 24.878 -20.774 686 1HB ASP 99 1HB ASP 99 31.552 24.705 -22.807 687 2HB ASP 99 2HB ASP 99 32.119 26.319 -23.224 688 H HIS 100 H HIS 100 32.024 28.063 -21.962 689 HA HIS 100 HA HIS 100 34.561 29.185 -20.972 690 1HB HIS 100 1HB HIS 100 33.711 29.139 -23.591 691 2HB HIS 100 2HB HIS 100 33.209 30.738 -23.052 692 HD1 HIS 100 HD1 HIS 100 35.659 31.265 -21.158 693 HD2 HIS 100 HD2 HIS 100 35.884 29.910 -25.079 694 HE1 HIS 100 HE1 HIS 100 37.956 31.904 -21.958 695 HE2 HIS 100 HE2 HIS 100 38.100 30.996 -24.304 696 H THR 101 H THR 101 31.537 30.605 -22.155 697 HA THR 101 HA THR 101 30.867 31.616 -19.529 698 HB THR 101 HB THR 101 32.075 33.507 -19.839 699 HG1 THR 101 HG1 THR 101 29.747 34.037 -20.134 700 1HG2 THR 101 1HG2 THR 101 32.124 32.612 -22.637 701 2HG2 THR 101 2HG2 THR 101 32.191 34.361 -22.422 702 3HG2 THR 101 3HG2 THR 101 33.399 33.332 -21.654 No H/Q in entry = 702 Start of MODEL 2 1 H1 TYR 1 H1 TYR 1 53.072 5.829 -38.449 2 H2 TYR 1 H2 TYR 1 53.376 4.478 -39.424 3 H3 TYR 1 H3 TYR 1 54.637 5.198 -38.555 4 HA TYR 1 HA TYR 1 54.873 6.923 -39.977 5 1HB TYR 1 1HB TYR 1 55.222 4.731 -41.139 6 2HB TYR 1 2HB TYR 1 53.582 4.853 -41.767 7 HD1 TYR 1 HD1 TYR 1 56.847 6.643 -41.728 8 HD2 TYR 1 HD2 TYR 1 53.181 5.967 -43.778 9 HE1 TYR 1 HE1 TYR 1 57.683 7.941 -43.642 10 HE2 TYR 1 HE2 TYR 1 54.008 7.261 -45.699 11 HH TYR 1 HH TYR 1 56.488 7.819 -46.610 12 H GLY 2 H GLY 2 51.619 5.868 -39.627 13 1HA GLY 2 1HA GLY 2 50.666 8.499 -40.401 14 2HA GLY 2 2HA GLY 2 50.086 7.176 -41.401 15 H HIS 3 H HIS 3 49.240 5.254 -40.003 16 HA HIS 3 HA HIS 3 46.877 5.829 -38.872 17 1HB HIS 3 1HB HIS 3 48.829 3.626 -38.409 18 2HB HIS 3 2HB HIS 3 47.452 3.742 -37.323 19 HD1 HIS 3 HD1 HIS 3 47.792 4.022 -41.108 20 HD2 HIS 3 HD2 HIS 3 45.543 2.061 -38.217 21 HE1 HIS 3 HE1 HIS 3 46.130 2.630 -42.380 22 HE2 HIS 3 HE2 HIS 3 44.845 1.377 -40.612 23 H CYS 4 H CYS 4 46.075 5.930 -36.672 24 HA CYS 4 HA CYS 4 47.911 7.436 -34.935 25 1HB CYS 4 1HB CYS 4 45.498 7.832 -33.780 26 2HB CYS 4 2HB CYS 4 46.161 8.865 -35.034 27 H VAL 5 H VAL 5 48.363 6.802 -32.882 28 HA VAL 5 HA VAL 5 46.988 4.414 -31.852 29 HB VAL 5 HB VAL 5 49.052 3.458 -31.064 30 1HG1 VAL 5 1HG1 VAL 5 49.184 4.256 -33.968 31 2HG1 VAL 5 2HG1 VAL 5 50.192 3.010 -33.233 32 3HG1 VAL 5 3HG1 VAL 5 48.441 2.807 -33.289 33 1HG2 VAL 5 1HG2 VAL 5 50.279 5.994 -32.106 34 2HG2 VAL 5 2HG2 VAL 5 50.394 5.294 -30.492 35 3HG2 VAL 5 3HG2 VAL 5 51.235 4.535 -31.843 36 H THR 6 H THR 6 46.178 4.747 -29.899 37 HA THR 6 HA THR 6 46.111 6.997 -28.447 38 HB THR 6 HB THR 6 45.661 5.705 -26.437 39 HG1 THR 6 HG1 THR 6 45.906 3.282 -26.811 40 1HG2 THR 6 1HG2 THR 6 43.975 5.764 -28.277 41 2HG2 THR 6 2HG2 THR 6 44.597 4.211 -28.833 42 3HG2 THR 6 3HG2 THR 6 43.850 4.343 -27.241 43 H ASP 7 H ASP 7 48.732 4.642 -28.382 44 HA ASP 7 HA ASP 7 50.704 6.497 -27.703 45 1HB ASP 7 1HB ASP 7 49.295 6.258 -25.505 46 2HB ASP 7 2HB ASP 7 50.179 4.746 -25.329 47 H SER 8 H SER 8 49.667 3.149 -27.284 48 HA SER 8 HA SER 8 51.578 2.031 -28.955 49 1HB SER 8 1HB SER 8 53.157 2.854 -27.172 50 2HB SER 8 2HB SER 8 52.384 1.730 -26.054 51 HG SER 8 HG SER 8 53.949 1.180 -28.330 52 H GLY 9 H GLY 9 49.039 1.458 -28.850 53 1HA GLY 9 1HA GLY 9 48.988 -1.320 -28.094 54 2HA GLY 9 2HA GLY 9 47.918 -0.323 -27.125 55 H VAL 10 H VAL 10 46.705 1.333 -28.709 56 HA VAL 10 HA VAL 10 45.146 -0.386 -30.457 57 HB VAL 10 HB VAL 10 44.713 2.498 -29.662 58 1HG1 VAL 10 1HG1 VAL 10 42.911 0.585 -31.144 59 2HG1 VAL 10 2HG1 VAL 10 42.451 2.188 -30.569 60 3HG1 VAL 10 3HG1 VAL 10 43.690 2.019 -31.812 61 1HG2 VAL 10 1HG2 VAL 10 44.361 0.144 -28.188 62 2HG2 VAL 10 2HG2 VAL 10 43.754 1.753 -27.800 63 3HG2 VAL 10 3HG2 VAL 10 42.747 0.628 -28.711 64 H VAL 11 H VAL 11 44.781 -0.006 -32.655 65 HA VAL 11 HA VAL 11 46.741 1.795 -33.924 66 HB VAL 11 HB VAL 11 45.619 -0.750 -35.103 67 1HG1 VAL 11 1HG1 VAL 11 46.962 1.474 -36.254 68 2HG1 VAL 11 2HG1 VAL 11 48.050 0.086 -36.297 69 3HG1 VAL 11 3HG1 VAL 11 46.449 -0.026 -37.028 70 1HG2 VAL 11 1HG2 VAL 11 48.300 -0.221 -33.824 71 2HG2 VAL 11 2HG2 VAL 11 47.039 -1.298 -33.224 72 3HG2 VAL 11 3HG2 VAL 11 47.878 -1.675 -34.728 73 H TYR 12 H TYR 12 45.348 3.546 -34.064 74 HA TYR 12 HA TYR 12 42.816 3.270 -35.460 75 1HB TYR 12 1HB TYR 12 44.232 5.632 -34.217 76 2HB TYR 12 2HB TYR 12 42.712 5.777 -35.089 77 HD1 TYR 12 HD1 TYR 12 40.728 4.406 -34.235 78 HD2 TYR 12 HD2 TYR 12 44.249 5.111 -31.957 79 HE1 TYR 12 HE1 TYR 12 39.493 3.865 -32.173 80 HE2 TYR 12 HE2 TYR 12 43.027 4.572 -29.887 81 HH TYR 12 HH TYR 12 39.569 4.089 -29.869 82 H SER 13 H SER 13 42.618 5.547 -36.912 83 HA SER 13 HA SER 13 44.853 5.538 -38.804 84 1HB SER 13 1HB SER 13 41.974 4.929 -39.408 85 2HB SER 13 2HB SER 13 43.020 5.633 -40.640 86 HG SER 13 HG SER 13 42.805 3.121 -40.088 87 H VAL 14 H VAL 14 45.034 7.435 -40.072 88 HA VAL 14 HA VAL 14 44.610 9.824 -38.795 89 HB VAL 14 HB VAL 14 46.147 9.787 -40.596 90 1HG1 VAL 14 1HG1 VAL 14 43.833 8.751 -42.177 91 2HG1 VAL 14 2HG1 VAL 14 45.163 9.574 -42.992 92 3HG1 VAL 14 3HG1 VAL 14 45.475 8.120 -42.044 93 1HG2 VAL 14 1HG2 VAL 14 43.753 11.460 -41.347 94 2HG2 VAL 14 2HG2 VAL 14 45.101 11.937 -40.316 95 3HG2 VAL 14 3HG2 VAL 14 45.364 11.650 -42.036 96 H GLY 15 H GLY 15 42.486 9.862 -37.949 97 1HA GLY 15 1HA GLY 15 40.567 11.340 -38.400 98 2HA GLY 15 2HA GLY 15 40.433 10.547 -39.958 99 H MET 16 H MET 16 41.231 8.233 -37.695 100 HA MET 16 HA MET 16 38.489 7.271 -37.658 101 1HB MET 16 1HB MET 16 41.031 6.047 -37.740 102 2HB MET 16 2HB MET 16 40.311 5.587 -36.203 103 1HG MET 16 1HG MET 16 38.317 5.326 -38.190 104 2HG MET 16 2HG MET 16 39.785 4.569 -38.802 105 1HE MET 16 1HE MET 16 41.277 3.337 -37.342 106 2HE MET 16 2HE MET 16 40.908 2.782 -35.709 107 3HE MET 16 3HE MET 16 40.590 1.733 -37.090 108 H GLN 17 H GLN 17 38.623 9.511 -36.198 109 HA GLN 17 HA GLN 17 39.317 9.770 -33.664 110 1HB GLN 17 1HB GLN 17 36.383 10.091 -34.022 111 2HB GLN 17 2HB GLN 17 37.556 11.194 -33.320 112 1HG GLN 17 1HG GLN 17 38.350 11.787 -35.540 113 2HG GLN 17 2HG GLN 17 37.211 10.648 -36.254 114 2HE2 GLN 17 1HE2 GLN 17 36.636 12.806 -33.537 115 1HE2 GLN 17 2HE2 GLN 17 35.418 13.754 -34.313 116 H TRP 18 H TRP 18 38.603 9.179 -31.598 117 HA TRP 18 HA TRP 18 36.733 6.994 -31.300 118 1HB TRP 18 2HB TRP 18 38.942 5.929 -31.895 119 2HB TRP 18 1HB TRP 18 38.253 5.409 -30.359 120 HD1 TRP 18 HD1 TRP 18 39.523 6.135 -28.128 121 HE1 TRP 18 HE1 TRP 18 41.916 6.975 -27.705 122 HE3 TRP 18 HE3 TRP 18 40.821 7.348 -32.924 123 HZ2 TRP 18 HZ2 TRP 18 44.075 8.019 -29.208 124 HZ3 TRP 18 HZ3 TRP 18 43.067 8.259 -33.344 125 HH2 TRP 18 HH2 TRP 18 44.658 8.586 -31.523 126 H LEU 19 H LEU 19 37.070 6.202 -28.802 127 HA LEU 19 HA LEU 19 37.384 8.607 -27.154 128 1HB LEU 19 1HB LEU 19 34.994 8.331 -27.668 129 2HB LEU 19 2HB LEU 19 35.042 6.708 -27.006 130 HG LEU 19 HG LEU 19 35.949 8.087 -24.876 131 1HD1 LEU 19 1HD1 LEU 19 34.677 10.041 -26.634 132 2HD1 LEU 19 2HD1 LEU 19 34.001 10.001 -25.005 133 3HD1 LEU 19 3HD1 LEU 19 35.725 10.279 -25.236 134 1HD2 LEU 19 1HD2 LEU 19 33.695 6.652 -25.559 135 2HD2 LEU 19 2HD2 LEU 19 34.108 7.237 -23.948 136 3HD2 LEU 19 3HD2 LEU 19 33.047 8.189 -24.986 137 H LYS 20 H LYS 20 38.060 8.268 -25.062 138 HA LYS 20 HA LYS 20 38.596 5.499 -24.244 139 1HB LYS 20 2HB LYS 20 40.614 6.691 -25.317 140 2HB LYS 20 1HB LYS 20 40.852 5.876 -23.777 141 1HG LYS 20 1HG LYS 20 40.617 8.821 -24.306 142 2HG LYS 20 2HG LYS 20 40.454 8.135 -22.689 143 1HD LYS 20 1HD LYS 20 42.840 7.680 -24.473 144 2HD LYS 20 2HD LYS 20 42.754 8.953 -23.253 145 1HE LYS 20 1HE LYS 20 43.247 7.522 -21.621 146 2HE LYS 20 2HE LYS 20 41.990 6.401 -22.146 147 1HZ LYS 20 1HZ LYS 20 44.631 6.575 -23.476 148 2HZ LYS 20 2HZ LYS 20 44.330 5.531 -22.180 149 3HZ LYS 20 3HZ LYS 20 43.471 5.355 -23.625 150 H THR 21 H THR 21 39.615 5.630 -21.888 151 HA THR 21 HA THR 21 38.290 7.688 -20.292 152 HB THR 21 HB THR 21 36.583 6.108 -20.152 153 HG1 THR 21 HG1 THR 21 36.627 5.954 -18.042 154 1HG2 THR 21 1HG2 THR 21 37.898 4.320 -21.326 155 2HG2 THR 21 2HG2 THR 21 38.590 3.894 -19.762 156 3HG2 THR 21 3HG2 THR 21 36.854 3.741 -20.028 157 H GLN 22 H GLN 22 38.812 7.120 -17.831 158 HA GLN 22 HA GLN 22 41.670 6.406 -17.711 159 1HB GLN 22 1HB GLN 22 40.213 8.507 -16.099 160 2HB GLN 22 2HB GLN 22 41.898 8.054 -15.887 161 1HG GLN 22 1HG GLN 22 40.933 8.989 -18.551 162 2HG GLN 22 2HG GLN 22 41.280 10.156 -17.274 163 2HE2 GLN 22 1HE2 GLN 22 43.152 11.063 -17.744 164 1HE2 GLN 22 2HE2 GLN 22 44.600 10.231 -18.185 165 H GLY 23 H GLY 23 39.311 4.702 -17.278 166 1HA GLY 23 1HA GLY 23 38.797 2.965 -15.858 167 2HA GLY 23 2HA GLY 23 40.191 3.425 -14.891 168 H ASN 24 H ASN 24 37.675 5.717 -15.587 169 HA ASN 24 HA ASN 24 36.003 5.254 -13.378 170 1HB ASN 24 1HB ASN 24 38.072 5.862 -12.122 171 2HB ASN 24 2HB ASN 24 38.050 7.435 -12.914 172 2HD2 ASN 24 1HD2 ASN 24 35.550 5.403 -11.424 173 1HD2 ASN 24 2HD2 ASN 24 34.968 6.618 -10.343 174 H LYS 25 H LYS 25 37.460 7.579 -15.560 175 HA LYS 25 HA LYS 25 34.835 8.889 -15.831 176 1HB LYS 25 2HB LYS 25 36.683 10.285 -14.787 177 2HB LYS 25 1HB LYS 25 35.884 10.983 -16.189 178 1HG LYS 25 1HG LYS 25 38.218 9.400 -16.894 179 2HG LYS 25 2HG LYS 25 37.769 11.039 -17.370 180 1HD LYS 25 1HD LYS 25 38.567 10.807 -14.568 181 2HD LYS 25 2HD LYS 25 39.845 10.375 -15.706 182 1HE LYS 25 1HE LYS 25 38.650 12.690 -16.737 183 2HE LYS 25 2HE LYS 25 38.817 12.969 -15.004 184 1HZ LYS 25 1HZ LYS 25 41.201 12.043 -15.438 185 2HZ LYS 25 2HZ LYS 25 40.899 12.540 -17.027 186 3HZ LYS 25 3HZ LYS 25 40.843 13.664 -15.763 187 H GLN 26 H GLN 26 36.107 10.472 -18.102 188 HA GLN 26 HA GLN 26 36.504 8.377 -20.085 189 1HB GLN 26 1HB GLN 26 34.227 10.347 -20.134 190 2HB GLN 26 2HB GLN 26 34.811 9.553 -21.591 191 1HG GLN 26 2HG GLN 26 34.471 7.425 -19.960 192 2HG GLN 26 1HG GLN 26 33.262 8.021 -21.098 193 2HE2 GLN 26 1HE2 GLN 26 31.966 9.937 -20.111 194 1HE2 GLN 26 2HE2 GLN 26 31.337 9.646 -18.529 195 H MET 27 H MET 27 36.787 9.491 -22.329 196 HA MET 27 HA MET 27 37.734 12.128 -22.517 197 1HB MET 27 1HB MET 27 39.544 10.478 -21.189 198 2HB MET 27 2HB MET 27 40.148 10.532 -22.841 199 1HG MET 27 1HG MET 27 39.508 13.167 -22.233 200 2HG MET 27 2HG MET 27 40.258 12.531 -20.769 201 1HE MET 27 1HE MET 27 41.365 14.726 -21.648 202 2HE MET 27 2HE MET 27 43.078 14.491 -21.997 203 3HE MET 27 3HE MET 27 41.952 14.848 -23.306 204 H LEU 28 H LEU 28 37.206 12.486 -24.579 205 HA LEU 28 HA LEU 28 37.232 10.328 -26.500 206 1HB LEU 28 1HB LEU 28 35.370 11.848 -26.552 207 2HB LEU 28 2HB LEU 28 36.442 13.226 -26.724 208 HG LEU 28 HG LEU 28 36.936 11.385 -28.862 209 1HD1 LEU 28 1HD1 LEU 28 34.064 12.043 -28.314 210 2HD1 LEU 28 2HD1 LEU 28 34.652 11.780 -29.956 211 3HD1 LEU 28 3HD1 LEU 28 34.784 10.495 -28.754 212 1HD2 LEU 28 1HD2 LEU 28 35.990 14.213 -28.573 213 2HD2 LEU 28 2HD2 LEU 28 37.531 13.610 -29.181 214 3HD2 LEU 28 3HD2 LEU 28 36.070 13.440 -30.155 215 H CYS 29 H CYS 29 38.983 9.796 -27.605 216 HA CYS 29 HA CYS 29 41.038 11.843 -28.090 217 1HB CYS 29 1HB CYS 29 41.097 8.898 -27.684 218 2HB CYS 29 2HB CYS 29 42.300 9.582 -28.770 219 H THR 30 H THR 30 41.732 12.335 -30.123 220 HA THR 30 HA THR 30 40.668 10.808 -32.387 221 HB THR 30 HB THR 30 40.451 13.820 -32.194 222 HG1 THR 30 HG1 THR 30 38.508 13.432 -31.462 223 1HG2 THR 30 1HG2 THR 30 39.881 11.857 -34.404 224 2HG2 THR 30 2HG2 THR 30 39.123 13.447 -34.350 225 3HG2 THR 30 3HG2 THR 30 40.879 13.310 -34.456 226 H CYS 31 H CYS 31 41.819 11.103 -34.350 227 HA CYS 31 HA CYS 31 44.485 12.294 -33.978 228 1HB CYS 31 1HB CYS 31 45.165 10.597 -35.792 229 2HB CYS 31 2HB CYS 31 44.904 10.000 -34.158 230 H LEU 32 H LEU 32 44.509 14.153 -35.014 231 HA LEU 32 HA LEU 32 42.873 14.650 -37.322 232 1HB LEU 32 1HB LEU 32 44.457 16.814 -37.244 233 2HB LEU 32 2HB LEU 32 43.032 16.625 -36.244 234 HG LEU 32 HG LEU 32 45.604 15.627 -35.140 235 1HD1 LEU 32 1HD1 LEU 32 45.619 18.118 -36.250 236 2HD1 LEU 32 2HD1 LEU 32 45.133 18.453 -34.587 237 3HD1 LEU 32 3HD1 LEU 32 46.638 17.589 -34.910 238 1HD2 LEU 32 1HD2 LEU 32 43.290 15.532 -34.048 239 2HD2 LEU 32 2HD2 LEU 32 44.629 16.151 -33.080 240 3HD2 LEU 32 3HD2 LEU 32 43.477 17.270 -33.807 241 H GLY 33 H GLY 33 46.241 15.657 -37.137 242 1HA GLY 33 1HA GLY 33 46.969 13.901 -39.348 243 2HA GLY 33 2HA GLY 33 46.992 15.625 -39.682 244 H ASN 34 H ASN 34 47.957 16.550 -37.230 245 HA ASN 34 HA ASN 34 50.754 15.838 -37.517 246 1HB ASN 34 1HB ASN 34 51.099 17.733 -35.898 247 2HB ASN 34 2HB ASN 34 50.296 18.186 -37.398 248 2HD2 ASN 34 1HD2 ASN 34 50.042 17.931 -33.991 249 1HD2 ASN 34 2HD2 ASN 34 48.468 18.626 -33.832 250 H GLY 35 H GLY 35 48.122 15.143 -35.423 251 1HA GLY 35 1HA GLY 35 49.605 13.219 -33.965 252 2HA GLY 35 2HA GLY 35 49.396 14.667 -32.992 253 H VAL 36 H VAL 36 48.098 13.672 -31.469 254 HA VAL 36 HA VAL 36 45.373 13.058 -32.389 255 HB VAL 36 HB VAL 36 47.136 11.420 -30.610 256 1HG1 VAL 36 1HG1 VAL 36 44.297 12.000 -30.098 257 2HG1 VAL 36 2HG1 VAL 36 44.729 10.290 -30.111 258 3HG1 VAL 36 3HG1 VAL 36 45.549 11.399 -29.012 259 1HG2 VAL 36 1HG2 VAL 36 46.312 11.065 -33.129 260 2HG2 VAL 36 2HG2 VAL 36 46.661 9.731 -32.029 261 3HG2 VAL 36 3HG2 VAL 36 44.996 10.258 -32.275 262 H SER 37 H SER 37 44.003 14.465 -31.542 263 HA SER 37 HA SER 37 44.617 15.644 -28.914 264 1HB SER 37 1HB SER 37 44.269 17.035 -31.167 265 2HB SER 37 2HB SER 37 42.575 16.874 -30.704 266 HG SER 37 HG SER 37 44.682 18.126 -29.308 267 H CYS 38 H CYS 38 43.312 15.179 -27.255 268 HA CYS 38 HA CYS 38 40.716 13.943 -27.874 269 1HB CYS 38 1HB CYS 38 42.080 13.496 -25.254 270 2HB CYS 38 2HB CYS 38 40.966 12.449 -26.122 271 H GLN 39 H GLN 39 39.287 14.016 -25.753 272 HA GLN 39 HA GLN 39 39.328 16.777 -24.730 273 1HB GLN 39 1HB GLN 39 37.226 15.332 -26.170 274 2HB GLN 39 2HB GLN 39 36.670 16.058 -24.669 275 1HG GLN 39 1HG GLN 39 38.299 17.904 -26.166 276 2HG GLN 39 2HG GLN 39 36.961 17.298 -27.140 277 2HE2 GLN 39 1HE2 GLN 39 36.881 17.625 -23.663 278 1HE2 GLN 39 2HE2 GLN 39 35.714 18.898 -23.614 279 H GLU 40 H GLU 40 39.662 16.762 -22.618 280 HA GLU 40 HA GLU 40 39.608 14.543 -20.961 281 1HB GLU 40 1HB GLU 40 39.362 16.354 -19.100 282 2HB GLU 40 2HB GLU 40 40.816 16.311 -20.088 283 1HG GLU 40 1HG GLU 40 40.475 18.405 -20.698 284 2HG GLU 40 2HG GLU 40 38.919 17.962 -21.397 285 H THR 41 H THR 41 37.822 13.297 -20.851 286 HA THR 41 HA THR 41 35.800 12.613 -20.031 287 HB THR 41 HB THR 41 35.366 15.463 -19.126 288 HG1 THR 41 HG1 THR 41 37.012 13.487 -18.175 289 1HG2 THR 41 1HG2 THR 41 33.947 12.882 -18.695 290 2HG2 THR 41 2HG2 THR 41 34.021 14.027 -17.357 291 3HG2 THR 41 3HG2 THR 41 33.297 14.510 -18.890 292 H ALA 42 H ALA 42 35.513 15.912 -21.353 293 HA ALA 42 HA ALA 42 34.396 16.648 -23.222 294 1HB ALA 42 1HB ALA 42 34.625 13.964 -23.770 295 2HB ALA 42 3HB ALA 42 33.965 15.187 -24.856 296 3HB ALA 42 2HB ALA 42 32.885 14.235 -23.838 297 H VAL 43 H VAL 43 33.086 18.011 -22.081 298 HA VAL 43 HA VAL 43 30.346 17.084 -21.648 299 HB VAL 43 HB VAL 43 30.140 17.932 -19.461 300 1HG1 VAL 43 1HG1 VAL 43 32.628 16.332 -19.887 301 2HG1 VAL 43 2HG1 VAL 43 32.174 16.844 -18.262 302 3HG1 VAL 43 3HG1 VAL 43 31.078 15.835 -19.207 303 1HG2 VAL 43 1HG2 VAL 43 32.581 19.442 -20.148 304 2HG2 VAL 43 2HG2 VAL 43 31.179 19.922 -19.194 305 3HG2 VAL 43 3HG2 VAL 43 32.437 18.920 -18.471 306 H THR 44 H THR 44 29.521 19.506 -20.353 307 HA THR 44 HA THR 44 30.273 21.806 -21.820 308 HB THR 44 HB THR 44 29.213 20.880 -23.730 309 HG1 THR 44 HG1 THR 44 26.976 22.286 -23.072 310 1HG2 THR 44 1HG2 THR 44 27.961 19.120 -22.423 311 2HG2 THR 44 2HG2 THR 44 26.733 20.345 -22.102 312 3HG2 THR 44 3HG2 THR 44 27.067 19.845 -23.760 313 H GLN 45 H GLN 45 28.510 23.571 -21.581 314 HA GLN 45 HA GLN 45 27.646 23.502 -18.804 315 1HB GLN 45 1HB GLN 45 27.688 25.729 -20.847 316 2HB GLN 45 2HB GLN 45 27.129 25.919 -19.191 317 1HG GLN 45 1HG GLN 45 29.856 24.836 -19.697 318 2HG GLN 45 2HG GLN 45 29.562 26.568 -19.855 319 2HE2 GLN 45 1HE2 GLN 45 30.035 27.661 -18.104 320 1HE2 GLN 45 2HE2 GLN 45 29.889 27.104 -16.476 321 H THR 46 H THR 46 26.274 23.772 -22.037 322 HA THR 46 HA THR 46 24.152 23.591 -22.831 323 HB THR 46 HB THR 46 22.585 22.246 -21.126 324 HG1 THR 46 HG1 THR 46 25.103 21.203 -20.411 325 1HG2 THR 46 1HG2 THR 46 24.766 21.298 -22.946 326 2HG2 THR 46 2HG2 THR 46 23.792 20.133 -22.048 327 3HG2 THR 46 3HG2 THR 46 23.019 21.245 -23.177 328 H TYR 47 H TYR 47 22.433 24.901 -22.934 329 HA TYR 47 HA TYR 47 21.302 26.073 -20.532 330 1HB TYR 47 1HB TYR 47 21.575 28.385 -21.337 331 2HB TYR 47 2HB TYR 47 23.130 27.612 -21.048 332 HD1 TYR 47 HD1 TYR 47 20.727 28.507 -23.737 333 HD2 TYR 47 HD2 TYR 47 24.741 27.495 -22.755 334 HE1 TYR 47 HE1 TYR 47 21.423 29.071 -26.027 335 HE2 TYR 47 HE2 TYR 47 25.448 28.056 -25.042 336 HH TYR 47 HH TYR 47 24.347 29.746 -26.950 337 H GLY 48 H GLY 48 19.163 26.336 -20.733 338 1HA GLY 48 1HA GLY 48 17.067 26.332 -21.664 339 2HA GLY 48 2HA GLY 48 17.792 27.228 -22.989 340 H GLY 49 H GLY 49 17.313 26.333 -24.873 341 1HA GLY 49 1HA GLY 49 17.392 24.699 -26.531 342 2HA GLY 49 2HA GLY 49 17.863 23.522 -25.313 343 H ASN 50 H ASN 50 16.328 22.121 -26.445 344 HA ASN 50 HA ASN 50 13.549 22.703 -26.471 345 1HB ASN 50 1HB ASN 50 15.114 20.792 -27.637 346 2HB ASN 50 2HB ASN 50 14.314 19.859 -26.375 347 2HD2 ASN 50 1HD2 ASN 50 12.097 19.568 -26.453 348 1HD2 ASN 50 2HD2 ASN 50 11.170 19.899 -27.872 349 H SER 51 H SER 51 15.691 21.777 -24.015 350 HA SER 51 HA SER 51 13.461 20.911 -22.298 351 1HB SER 51 1HB SER 51 15.156 19.168 -22.568 352 2HB SER 51 2HB SER 51 16.414 20.288 -22.048 353 HG SER 51 HG SER 51 14.196 19.470 -20.473 354 H ASN 52 H ASN 52 16.703 22.042 -21.478 355 HA ASN 52 HA ASN 52 16.152 24.653 -20.764 356 1HB ASN 52 1HB ASN 52 14.635 23.194 -19.126 357 2HB ASN 52 2HB ASN 52 16.137 23.113 -18.211 358 2HD2 ASN 52 1HD2 ASN 52 14.516 24.259 -16.740 359 1HD2 ASN 52 2HD2 ASN 52 14.545 25.985 -16.793 360 H GLY 53 H GLY 53 17.881 21.699 -20.076 361 1HA GLY 53 1HA GLY 53 20.371 22.149 -20.553 362 2HA GLY 53 2HA GLY 53 20.220 23.255 -19.195 363 H GLU 54 H GLU 54 19.299 19.887 -19.933 364 HA GLU 54 HA GLU 54 20.109 19.147 -17.217 365 1HB GLU 54 1HB GLU 54 18.249 17.975 -19.232 366 2HB GLU 54 2HB GLU 54 18.987 16.904 -18.056 367 1HG GLU 54 1HG GLU 54 17.945 19.252 -16.767 368 2HG GLU 54 2HG GLU 54 16.702 18.463 -17.735 369 HA PRO 55 HA PRO 55 23.633 16.730 -18.219 370 1HB PRO 55 2HB PRO 55 23.762 14.951 -16.784 371 2HB PRO 55 1HB PRO 55 22.278 14.221 -17.404 372 1HG PRO 55 1HG PRO 55 21.499 15.012 -15.366 373 2HG PRO 55 2HG PRO 55 22.624 16.382 -15.365 374 1HD PRO 55 1HD PRO 55 20.024 16.063 -16.806 375 2HD PRO 55 2HD PRO 55 20.715 17.502 -16.028 376 H CYS 56 H CYS 56 23.919 16.658 -20.392 377 HA CYS 56 HA CYS 56 22.303 15.572 -22.326 378 1HB CYS 56 1HB CYS 56 25.327 15.534 -22.382 379 2HB CYS 56 2HB CYS 56 24.248 15.510 -23.773 380 H VAL 57 H VAL 57 22.540 13.609 -23.620 381 HA VAL 57 HA VAL 57 23.372 11.313 -21.971 382 HB VAL 57 HB VAL 57 20.906 11.500 -22.296 383 1HG1 VAL 57 1HG1 VAL 57 21.645 12.036 -24.955 384 2HG1 VAL 57 2HG1 VAL 57 20.791 10.493 -24.973 385 3HG1 VAL 57 3HG1 VAL 57 20.019 11.921 -24.284 386 1HG2 VAL 57 1HG2 VAL 57 22.242 9.106 -23.554 387 2HG2 VAL 57 2HG2 VAL 57 21.920 9.345 -21.837 388 3HG2 VAL 57 3HG2 VAL 57 20.579 9.155 -22.968 389 H LEU 58 H LEU 58 25.474 11.769 -23.088 390 HA LEU 58 HA LEU 58 25.551 10.313 -25.645 391 1HB LEU 58 1HB LEU 58 27.715 12.228 -25.352 392 2HB LEU 58 2HB LEU 58 26.643 11.949 -26.710 393 HG LEU 58 HG LEU 58 24.925 13.360 -25.583 394 1HD1 LEU 58 1HD1 LEU 58 26.877 13.233 -23.445 395 2HD1 LEU 58 2HD1 LEU 58 26.427 14.891 -23.843 396 3HD1 LEU 58 3HD1 LEU 58 25.183 13.721 -23.403 397 1HD2 LEU 58 1HD2 LEU 58 26.536 14.209 -27.297 398 2HD2 LEU 58 2HD2 LEU 58 25.923 15.439 -26.192 399 3HD2 LEU 58 3HD2 LEU 58 27.547 14.789 -25.973 400 HA PRO 59 HA PRO 59 28.017 10.698 -26.900 401 1HB PRO 59 1HB PRO 59 29.079 8.459 -28.033 402 2HB PRO 59 2HB PRO 59 30.053 9.717 -27.264 403 1HG PRO 59 2HG PRO 59 30.727 7.876 -26.019 404 2HG PRO 59 1HG PRO 59 29.146 7.086 -26.167 405 1HD PRO 59 1HD PRO 59 28.904 7.919 -24.028 406 2HD PRO 59 2HD PRO 59 30.013 9.273 -24.327 407 H PHE 60 H PHE 60 26.262 10.671 -28.136 408 HA PHE 60 HA PHE 60 24.592 8.249 -28.170 409 1HB PHE 60 1HB PHE 60 22.815 9.873 -29.031 410 2HB PHE 60 2HB PHE 60 23.297 10.049 -27.347 411 HD1 PHE 60 HD1 PHE 60 24.199 11.352 -30.723 412 HD2 PHE 60 HD2 PHE 60 23.768 12.158 -26.567 413 HE1 PHE 60 HE1 PHE 60 24.732 13.719 -31.130 414 HE2 PHE 60 HE2 PHE 60 24.299 14.527 -26.966 415 HZ PHE 60 HZ PHE 60 24.782 15.311 -29.251 416 H THR 61 H THR 61 23.101 8.542 -30.360 417 HA THR 61 HA THR 61 25.004 8.794 -32.595 418 HB THR 61 HB THR 61 22.853 6.810 -32.952 419 HG1 THR 61 HG1 THR 61 23.307 5.823 -31.128 420 1HG2 THR 61 1HG2 THR 61 25.832 6.793 -33.459 421 2HG2 THR 61 2HG2 THR 61 24.701 5.545 -33.981 422 3HG2 THR 61 3HG2 THR 61 24.577 7.177 -34.636 423 H TYR 62 H TYR 62 24.358 10.237 -34.034 424 HA TYR 62 HA TYR 62 21.502 10.519 -34.614 425 1HB TYR 62 1HB TYR 62 21.765 12.306 -33.096 426 2HB TYR 62 2HB TYR 62 23.354 12.722 -33.728 427 HD1 TYR 62 HD1 TYR 62 19.758 12.627 -34.705 428 HD2 TYR 62 HD2 TYR 62 23.562 14.441 -35.280 429 HE1 TYR 62 HE1 TYR 62 18.725 14.313 -36.168 430 HE2 TYR 62 HE2 TYR 62 22.542 16.133 -36.744 431 HH TYR 62 HH TYR 62 19.072 16.057 -37.500 432 H ASN 63 H ASN 63 21.051 10.862 -36.725 433 HA ASN 63 HA ASN 63 21.347 11.113 -38.967 434 1HB ASN 63 1HB ASN 63 23.044 13.024 -37.819 435 2HB ASN 63 2HB ASN 63 24.025 12.207 -39.033 436 2HD2 ASN 63 1HD2 ASN 63 20.965 13.865 -38.513 437 1HD2 ASN 63 2HD2 ASN 63 20.803 14.457 -40.127 438 H GLY 64 H GLY 64 22.885 9.024 -37.122 439 1HA GLY 64 1HA GLY 64 23.554 6.898 -37.988 440 2HA GLY 64 2HA GLY 64 24.156 7.710 -39.425 441 H ARG 65 H ARG 65 25.246 9.712 -37.217 442 HA ARG 65 HA ARG 65 27.773 8.250 -36.913 443 1HB ARG 65 1HB ARG 65 28.817 10.461 -36.646 444 2HB ARG 65 2HB ARG 65 27.947 10.327 -38.167 445 1HG ARG 65 1HG ARG 65 26.244 11.376 -36.093 446 2HG ARG 65 2HG ARG 65 27.711 12.340 -36.269 447 1HD ARG 65 1HD ARG 65 26.366 11.525 -38.770 448 2HD ARG 65 2HD ARG 65 25.508 12.694 -37.768 449 HE ARG 65 HE ARG 65 27.922 13.804 -37.881 450 1HH1 ARG 65 1HH1 ARG 65 25.960 12.392 -40.387 451 2HH1 ARG 65 2HH1 ARG 65 26.589 13.412 -41.636 452 1HH2 ARG 65 1HH2 ARG 65 28.759 15.153 -39.518 453 2HH2 ARG 65 2HH2 ARG 65 28.183 14.982 -41.142 454 H THR 66 H THR 66 28.941 9.793 -34.923 455 HA THR 66 HA THR 66 27.162 9.515 -32.606 456 HB THR 66 HB THR 66 29.959 8.371 -32.720 457 HG1 THR 66 HG1 THR 66 28.649 6.377 -32.344 458 1HG2 THR 66 1HG2 THR 66 28.875 9.373 -30.522 459 2HG2 THR 66 2HG2 THR 66 28.036 7.821 -30.514 460 3HG2 THR 66 3HG2 THR 66 29.798 7.870 -30.488 461 H PHE 67 H PHE 67 27.573 10.903 -30.911 462 HA PHE 67 HA PHE 67 29.851 12.735 -31.184 463 1HB PHE 67 1HB PHE 67 27.174 13.795 -30.343 464 2HB PHE 67 2HB PHE 67 28.560 14.667 -30.989 465 HD1 PHE 67 HD1 PHE 67 26.061 12.086 -31.975 466 HD2 PHE 67 HD2 PHE 67 28.539 15.326 -33.192 467 HE1 PHE 67 HE1 PHE 67 25.059 12.006 -34.220 468 HE2 PHE 67 HE2 PHE 67 27.540 15.251 -35.440 469 HZ PHE 67 HZ PHE 67 25.799 13.587 -35.954 470 H TYR 68 H TYR 68 30.909 13.084 -29.333 471 HA TYR 68 HA TYR 68 29.763 11.974 -26.876 472 1HB TYR 68 2HB TYR 68 32.044 11.978 -26.014 473 2HB TYR 68 1HB TYR 68 32.608 12.834 -27.446 474 HD1 TYR 68 HD1 TYR 68 31.941 11.580 -29.736 475 HD2 TYR 68 HD2 TYR 68 32.424 9.707 -25.948 476 HE1 TYR 68 HE1 TYR 68 32.368 9.434 -30.858 477 HE2 TYR 68 HE2 TYR 68 32.857 7.558 -27.058 478 HH TYR 68 HH TYR 68 33.359 7.314 -30.465 479 H SER 69 H SER 69 29.082 14.616 -28.088 480 HA SER 69 HA SER 69 28.851 16.120 -25.743 481 1HB SER 69 1HB SER 69 31.420 16.287 -26.517 482 2HB SER 69 2HB SER 69 30.746 17.592 -27.492 483 HG SER 69 HG SER 69 29.922 17.548 -24.860 484 H CYS 70 H CYS 70 28.916 18.722 -26.810 485 HA CYS 70 HA CYS 70 26.420 18.856 -28.074 486 1HB CYS 70 2HB CYS 70 26.706 21.170 -28.101 487 2HB CYS 70 1HB CYS 70 28.445 21.055 -28.335 488 H THR 71 H THR 71 25.993 19.880 -30.210 489 HA THR 71 HA THR 71 27.953 19.811 -32.267 490 HB THR 71 HB THR 71 27.555 17.343 -31.881 491 HG1 THR 71 HG1 THR 71 28.331 18.155 -33.893 492 1HG2 THR 71 1HG2 THR 71 24.840 18.193 -32.120 493 2HG2 THR 71 2HG2 THR 71 25.203 17.077 -33.437 494 3HG2 THR 71 3HG2 THR 71 25.463 16.583 -31.764 495 H THR 72 H THR 72 27.165 20.532 -34.276 496 HA THR 72 HA THR 72 24.412 21.589 -34.193 497 HB THR 72 HB THR 72 25.579 23.179 -36.039 498 HG1 THR 72 HG1 THR 72 27.678 23.343 -35.746 499 1HG2 THR 72 1HG2 THR 72 25.490 23.531 -33.046 500 2HG2 THR 72 2HG2 THR 72 25.887 24.835 -34.164 501 3HG2 THR 72 3HG2 THR 72 24.301 24.067 -34.232 502 H GLU 73 H GLU 73 24.045 19.333 -35.107 503 HA GLU 73 HA GLU 73 24.345 19.418 -38.038 504 1HB GLU 73 1HB GLU 73 24.395 16.992 -36.235 505 2HB GLU 73 2HB GLU 73 24.421 16.943 -37.994 506 1HG GLU 73 2HG GLU 73 26.645 16.682 -37.427 507 2HG GLU 73 1HG GLU 73 26.545 17.832 -36.094 508 H GLY 74 H GLY 74 22.168 19.951 -35.791 509 1HA GLY 74 1HA GLY 74 20.019 18.534 -37.242 510 2HA GLY 74 2HA GLY 74 19.968 18.821 -35.510 511 H ARG 75 H ARG 75 21.338 21.495 -36.893 512 HA ARG 75 HA ARG 75 18.742 22.804 -37.340 513 1HB ARG 75 1HB ARG 75 19.717 24.832 -36.177 514 2HB ARG 75 2HB ARG 75 19.298 23.478 -35.138 515 1HG ARG 75 1HG ARG 75 22.065 23.490 -36.127 516 2HG ARG 75 2HG ARG 75 21.640 24.812 -35.039 517 1HD ARG 75 1HD ARG 75 22.521 22.473 -34.151 518 2HD ARG 75 2HD ARG 75 21.348 23.433 -33.257 519 HE ARG 75 HE ARG 75 20.825 20.980 -34.756 520 1HH1 ARG 75 1HH1 ARG 75 19.585 23.600 -32.806 521 2HH1 ARG 75 2HH1 ARG 75 18.120 22.771 -32.407 522 1HH2 ARG 75 1HH2 ARG 75 18.895 19.896 -34.234 523 2HH2 ARG 75 2HH2 ARG 75 17.727 20.671 -33.217 524 H GLN 76 H GLN 76 19.261 25.187 -38.144 525 HA GLN 76 HA GLN 76 21.294 24.947 -40.264 526 1HB GLN 76 1HB GLN 76 18.878 26.682 -40.584 527 2HB GLN 76 2HB GLN 76 19.871 25.919 -41.818 528 1HG GLN 76 1HG GLN 76 18.811 23.784 -40.436 529 2HG GLN 76 2HG GLN 76 17.490 24.951 -40.479 530 2HE2 GLN 76 1HE2 GLN 76 17.779 22.376 -41.833 531 1HE2 GLN 76 2HE2 GLN 76 17.608 22.703 -43.519 532 H ASP 77 H ASP 77 20.710 26.440 -37.446 533 HA ASP 77 HA ASP 77 21.534 29.114 -38.248 534 1HB ASP 77 1HB ASP 77 21.435 29.407 -35.643 535 2HB ASP 77 2HB ASP 77 19.944 29.308 -36.575 536 H GLY 78 H GLY 78 22.662 26.627 -35.967 537 1HA GLY 78 1HA GLY 78 25.067 25.991 -36.270 538 2HA GLY 78 2HA GLY 78 25.389 27.717 -36.306 539 H HIS 79 H HIS 79 23.000 26.428 -34.138 540 HA HIS 79 HA HIS 79 24.664 27.245 -31.879 541 1HB HIS 79 1HB HIS 79 21.741 26.466 -31.950 542 2HB HIS 79 2HB HIS 79 22.600 27.126 -30.562 543 HD1 HIS 79 HD1 HIS 79 23.762 28.893 -33.444 544 HD2 HIS 79 HD2 HIS 79 20.379 29.094 -31.040 545 HE1 HIS 79 HE1 HIS 79 22.771 31.166 -33.866 546 HE2 HIS 79 HE2 HIS 79 20.782 31.301 -32.326 547 H LEU 80 H LEU 80 25.797 25.783 -30.790 548 HA LEU 80 HA LEU 80 25.719 23.035 -31.257 549 1HB LEU 80 1HB LEU 80 26.808 24.689 -28.996 550 2HB LEU 80 2HB LEU 80 26.937 22.943 -28.993 551 HG LEU 80 HG LEU 80 28.269 22.984 -31.015 552 1HD1 LEU 80 1HD1 LEU 80 27.162 24.924 -32.062 553 2HD1 LEU 80 2HD1 LEU 80 27.997 25.985 -30.927 554 3HD1 LEU 80 3HD1 LEU 80 28.922 25.041 -32.095 555 1HD2 LEU 80 1HD2 LEU 80 29.047 24.513 -28.619 556 2HD2 LEU 80 2HD2 LEU 80 29.813 23.118 -29.377 557 3HD2 LEU 80 3HD2 LEU 80 30.070 24.731 -30.038 558 H TRP 81 H TRP 81 24.808 21.312 -30.164 559 HA TRP 81 HA TRP 81 23.080 21.819 -27.886 560 1HB TRP 81 2HB TRP 81 21.607 22.249 -29.799 561 2HB TRP 81 1HB TRP 81 21.112 20.796 -28.936 562 HD1 TRP 81 HD1 TRP 81 22.539 21.956 -32.272 563 HE1 TRP 81 HE1 TRP 81 22.428 20.006 -33.948 564 HE3 TRP 81 HE3 TRP 81 21.138 18.217 -29.079 565 HZ2 TRP 81 HZ2 TRP 81 21.827 17.246 -33.921 566 HZ3 TRP 81 HZ3 TRP 81 20.817 15.952 -29.984 567 HH2 TRP 81 HH2 TRP 81 21.155 15.479 -32.356 568 H CYS 82 H CYS 82 22.041 19.722 -27.141 569 HA CYS 82 HA CYS 82 23.539 17.331 -27.855 570 1HB CYS 82 1HB CYS 82 24.421 16.895 -25.738 571 2HB CYS 82 2HB CYS 82 24.689 18.623 -25.926 572 H SER 83 H SER 83 22.642 15.394 -26.603 573 HA SER 83 HA SER 83 19.725 15.643 -26.602 574 1HB SER 83 1HB SER 83 20.849 13.921 -28.051 575 2HB SER 83 2HB SER 83 21.370 13.105 -26.577 576 HG SER 83 HG SER 83 18.906 13.349 -26.138 577 H THR 84 H THR 84 18.443 14.981 -24.910 578 HA THR 84 HA THR 84 19.806 14.765 -22.323 579 HB THR 84 HB THR 84 17.670 15.344 -21.304 580 HG1 THR 84 HG1 THR 84 15.920 14.932 -22.407 581 1HG2 THR 84 1HG2 THR 84 18.972 17.040 -23.312 582 2HG2 THR 84 2HG2 THR 84 17.335 17.542 -22.889 583 3HG2 THR 84 3HG2 THR 84 18.562 17.384 -21.632 584 H THR 85 H THR 85 17.930 12.999 -24.587 585 HA THR 85 HA THR 85 17.831 10.715 -22.734 586 HB THR 85 HB THR 85 15.686 11.670 -24.624 587 HG1 THR 85 HG1 THR 85 15.246 10.708 -22.023 588 1HG2 THR 85 1HG2 THR 85 16.048 8.920 -23.440 589 2HG2 THR 85 2HG2 THR 85 14.500 9.522 -24.037 590 3HG2 THR 85 3HG2 THR 85 15.865 9.353 -25.140 591 H SER 86 H SER 86 18.650 8.853 -23.517 592 HA SER 86 HA SER 86 20.338 8.679 -25.630 593 1HB SER 86 1HB SER 86 19.120 6.834 -23.853 594 2HB SER 86 2HB SER 86 18.965 6.165 -25.477 595 HG SER 86 HG SER 86 21.363 7.060 -24.247 596 H ASN 87 H ASN 87 16.877 7.892 -25.707 597 HA ASN 87 HA ASN 87 16.951 7.548 -28.589 598 1HB ASN 87 1HB ASN 87 15.360 6.532 -26.518 599 2HB ASN 87 2HB ASN 87 14.294 7.588 -27.441 600 2HD2 ASN 87 1HD2 ASN 87 13.146 5.673 -28.023 601 1HD2 ASN 87 2HD2 ASN 87 13.724 4.671 -29.306 602 H TYR 88 H TYR 88 17.650 9.832 -28.884 603 HA TYR 88 HA TYR 88 15.819 11.948 -28.312 604 1HB TYR 88 1HB TYR 88 17.992 12.733 -28.490 605 2HB TYR 88 2HB TYR 88 18.369 11.691 -29.857 606 HD1 TYR 88 HD1 TYR 88 17.329 12.268 -32.114 607 HD2 TYR 88 HD2 TYR 88 17.364 14.967 -28.827 608 HE1 TYR 88 HE1 TYR 88 16.931 14.140 -33.657 609 HE2 TYR 88 HE2 TYR 88 16.967 16.849 -30.360 610 HH TYR 88 HH TYR 88 15.867 16.531 -33.416 611 H GLU 89 H GLU 89 16.188 9.656 -30.857 612 HA GLU 89 HA GLU 89 14.941 11.056 -32.951 613 1HB GLU 89 1HB GLU 89 15.511 8.199 -32.350 614 2HB GLU 89 2HB GLU 89 14.318 8.543 -33.595 615 1HG GLU 89 1HG GLU 89 15.950 9.861 -34.820 616 2HG GLU 89 2HG GLU 89 17.148 9.570 -33.559 617 H GLN 90 H GLN 90 13.687 9.581 -30.107 618 HA GLN 90 HA GLN 90 10.950 9.897 -31.139 619 1HB GLN 90 1HB GLN 90 10.234 8.069 -29.941 620 2HB GLN 90 2HB GLN 90 11.874 7.574 -30.340 621 1HG GLN 90 2HG GLN 90 12.337 8.814 -28.021 622 2HG GLN 90 1HG GLN 90 11.960 7.098 -28.149 623 2HE2 GLN 90 1HE2 GLN 90 10.689 6.554 -26.533 624 1HE2 GLN 90 2HE2 GLN 90 9.312 7.438 -25.979 625 H ASP 91 H ASP 91 13.133 10.524 -28.468 626 HA ASP 91 HA ASP 91 11.168 11.754 -26.798 627 1HB ASP 91 1HB ASP 91 14.064 11.260 -26.703 628 2HB ASP 91 2HB ASP 91 13.565 12.756 -25.919 629 H GLN 92 H GLN 92 13.875 13.079 -28.708 630 HA GLN 92 HA GLN 92 14.036 15.034 -29.887 631 1HB GLN 92 1HB GLN 92 11.388 14.603 -30.008 632 2HB GLN 92 2HB GLN 92 11.388 16.066 -29.034 633 1HG GLN 92 1HG GLN 92 11.683 17.302 -30.838 634 2HG GLN 92 2HG GLN 92 13.168 16.433 -31.222 635 2HE2 GLN 92 1HE2 GLN 92 12.980 14.480 -32.482 636 1HE2 GLN 92 2HE2 GLN 92 11.688 14.318 -33.618 637 H LYS 93 H LYS 93 14.130 14.615 -26.777 638 HA LYS 93 HA LYS 93 13.989 17.381 -25.887 639 1HB LYS 93 1HB LYS 93 14.527 14.768 -24.490 640 2HB LYS 93 2HB LYS 93 14.781 16.312 -23.687 641 1HG LYS 93 1HG LYS 93 12.533 15.055 -23.393 642 2HG LYS 93 2HG LYS 93 12.534 16.805 -23.625 643 1HD LYS 93 1HD LYS 93 11.859 16.616 -25.868 644 2HD LYS 93 2HD LYS 93 12.262 14.900 -25.931 645 1HE LYS 93 1HE LYS 93 10.205 14.354 -25.301 646 2HE LYS 93 2HE LYS 93 10.352 15.348 -23.852 647 1HZ LYS 93 1HZ LYS 93 9.825 17.279 -25.420 648 2HZ LYS 93 2HZ LYS 93 9.276 16.095 -26.496 649 3HZ LYS 93 3HZ LYS 93 8.556 16.254 -24.975 650 H TYR 94 H TYR 94 15.649 18.487 -26.824 651 HA TYR 94 HA TYR 94 18.369 17.529 -26.215 652 1HB TYR 94 2HB TYR 94 17.614 17.621 -28.681 653 2HB TYR 94 1HB TYR 94 19.164 18.342 -28.264 654 HD1 TYR 94 HD1 TYR 94 19.123 20.905 -27.748 655 HD2 TYR 94 HD2 TYR 94 16.082 18.860 -29.908 656 HE1 TYR 94 HE1 TYR 94 18.408 23.037 -28.747 657 HE2 TYR 94 HE2 TYR 94 15.360 20.985 -30.914 658 HH TYR 94 HH TYR 94 15.886 23.153 -31.218 659 H SER 95 H SER 95 19.995 19.235 -25.984 660 HA SER 95 HA SER 95 18.875 21.759 -24.965 661 1HB SER 95 1HB SER 95 21.152 21.399 -23.460 662 2HB SER 95 2HB SER 95 19.512 21.058 -22.912 663 HG SER 95 HG SER 95 20.445 19.158 -22.603 664 H PHE 96 H PHE 96 20.376 23.568 -25.006 665 HA PHE 96 HA PHE 96 22.027 23.485 -27.383 666 1HB PHE 96 1HB PHE 96 21.043 25.668 -25.573 667 2HB PHE 96 2HB PHE 96 22.344 25.982 -26.716 668 HD1 PHE 96 HD1 PHE 96 21.498 24.360 -29.017 669 HD2 PHE 96 HD2 PHE 96 19.232 26.848 -26.412 670 HE1 PHE 96 HE1 PHE 96 19.841 24.712 -30.802 671 HE2 PHE 96 HE2 PHE 96 17.571 27.205 -28.192 672 HZ PHE 96 HZ PHE 96 17.874 26.135 -30.389 673 H CYS 97 H CYS 97 24.036 25.197 -26.980 674 HA CYS 97 HA CYS 97 25.522 24.498 -24.595 675 1HB CYS 97 1HB CYS 97 26.170 23.401 -27.302 676 2HB CYS 97 2HB CYS 97 27.483 23.792 -26.197 677 H THR 98 H THR 98 27.186 25.916 -24.148 678 HA THR 98 HA THR 98 27.208 28.345 -25.768 679 HB THR 98 HB THR 98 26.880 28.840 -23.481 680 HG1 THR 98 HG1 THR 98 28.325 30.329 -24.120 681 1HG2 THR 98 1HG2 THR 98 29.041 26.817 -23.024 682 2HG2 THR 98 2HG2 THR 98 28.720 28.058 -21.813 683 3HG2 THR 98 3HG2 THR 98 27.445 26.934 -22.283 684 H ASP 99 H ASP 99 28.805 25.592 -25.990 685 HA ASP 99 HA ASP 99 30.712 25.041 -27.132 686 1HB ASP 99 2HB ASP 99 32.085 26.710 -28.149 687 2HB ASP 99 1HB ASP 99 31.520 27.949 -27.033 688 H HIS 100 H HIS 100 31.407 27.664 -24.822 689 HA HIS 100 HA HIS 100 33.317 25.859 -23.496 690 1HB HIS 100 1HB HIS 100 33.798 28.460 -24.692 691 2HB HIS 100 2HB HIS 100 34.217 28.452 -22.981 692 HD1 HIS 100 HD1 HIS 100 35.321 25.550 -22.809 693 HD2 HIS 100 HD2 HIS 100 36.302 28.294 -25.772 694 HE1 HIS 100 HE1 HIS 100 37.546 24.800 -23.709 695 HE2 HIS 100 HE2 HIS 100 38.090 26.438 -25.545 696 H THR 101 H THR 101 33.905 26.809 -21.250 697 HA THR 101 HA THR 101 31.572 26.811 -19.684 698 HB THR 101 HB THR 101 33.429 27.904 -18.003 699 HG1 THR 101 HG1 THR 101 34.986 26.168 -19.575 700 1HG2 THR 101 1HG2 THR 101 32.884 25.061 -18.806 701 2HG2 THR 101 2HG2 THR 101 34.018 25.454 -17.514 702 3HG2 THR 101 3HG2 THR 101 32.326 25.932 -17.377 No H/Q in entry = 702 Start of MODEL 3 1 H1 TYR 1 H1 TYR 1 49.068 5.159 -44.150 2 H2 TYR 1 H2 TYR 1 50.391 5.869 -43.368 3 H3 TYR 1 H3 TYR 1 49.197 5.082 -42.463 4 HA TYR 1 HA TYR 1 48.753 7.342 -42.187 5 1HB TYR 1 1HB TYR 1 49.747 7.408 -44.946 6 2HB TYR 1 2HB TYR 1 48.376 8.476 -44.670 7 HD1 TYR 1 HD1 TYR 1 51.557 7.541 -42.933 8 HD2 TYR 1 HD2 TYR 1 48.885 10.643 -44.086 9 HE1 TYR 1 HE1 TYR 1 53.064 9.205 -41.928 10 HE2 TYR 1 HE2 TYR 1 50.384 12.316 -43.088 11 HH TYR 1 HH TYR 1 53.368 11.349 -41.423 12 H GLY 2 H GLY 2 46.989 5.559 -41.828 13 1HA GLY 2 1HA GLY 2 44.575 6.599 -43.014 14 2HA GLY 2 2HA GLY 2 44.939 4.950 -43.501 15 H HIS 3 H HIS 3 44.792 3.278 -41.994 16 HA HIS 3 HA HIS 3 42.793 3.504 -40.067 17 1HB HIS 3 1HB HIS 3 44.838 1.455 -40.752 18 2HB HIS 3 2HB HIS 3 44.043 1.310 -39.187 19 HD1 HIS 3 HD1 HIS 3 43.228 1.388 -42.876 20 HD2 HIS 3 HD2 HIS 3 41.505 0.273 -39.264 21 HE1 HIS 3 HE1 HIS 3 41.101 0.195 -43.487 22 HE2 HIS 3 HE2 HIS 3 40.032 -0.395 -41.283 23 H CYS 4 H CYS 4 42.806 3.620 -37.831 24 HA CYS 4 HA CYS 4 45.308 4.649 -36.663 25 1HB CYS 4 1HB CYS 4 43.399 5.548 -34.957 26 2HB CYS 4 2HB CYS 4 44.001 6.459 -36.336 27 H VAL 5 H VAL 5 45.655 4.225 -34.379 28 HA VAL 5 HA VAL 5 44.184 2.009 -33.201 29 HB VAL 5 HB VAL 5 46.789 1.228 -32.694 30 1HG1 VAL 5 1HG1 VAL 5 44.645 -0.072 -33.237 31 2HG1 VAL 5 2HG1 VAL 5 45.165 0.045 -34.918 32 3HG1 VAL 5 3HG1 VAL 5 46.187 -0.769 -33.734 33 1HG2 VAL 5 1HG2 VAL 5 46.536 2.175 -35.534 34 2HG2 VAL 5 2HG2 VAL 5 47.822 2.504 -34.372 35 3HG2 VAL 5 3HG2 VAL 5 47.656 0.894 -35.072 36 H THR 6 H THR 6 45.827 1.407 -31.101 37 HA THR 6 HA THR 6 46.772 3.827 -29.841 38 HB THR 6 HB THR 6 45.136 4.233 -28.341 39 HG1 THR 6 HG1 THR 6 44.462 1.460 -28.327 40 1HG2 THR 6 1HG2 THR 6 43.674 2.649 -30.442 41 2HG2 THR 6 2HG2 THR 6 42.841 3.514 -29.152 42 3HG2 THR 6 3HG2 THR 6 43.833 4.401 -30.309 43 H ASP 7 H ASP 7 45.829 0.440 -29.385 44 HA ASP 7 HA ASP 7 48.366 -0.021 -27.997 45 1HB ASP 7 1HB ASP 7 45.622 -0.568 -26.915 46 2HB ASP 7 2HB ASP 7 46.983 -1.572 -26.429 47 H SER 8 H SER 8 46.735 -0.708 -30.575 48 HA SER 8 HA SER 8 46.926 -2.403 -32.106 49 1HB SER 8 1HB SER 8 48.802 -3.597 -31.826 50 2HB SER 8 2HB SER 8 48.851 -3.154 -30.122 51 HG SER 8 HG SER 8 48.452 -5.183 -29.785 52 H GLY 9 H GLY 9 44.916 -2.096 -29.765 53 1HA GLY 9 1HA GLY 9 43.691 -4.769 -30.005 54 2HA GLY 9 2HA GLY 9 43.404 -3.656 -28.675 55 H VAL 10 H VAL 10 43.092 -1.320 -30.318 56 HA VAL 10 HA VAL 10 40.512 -1.954 -31.595 57 HB VAL 10 HB VAL 10 41.101 0.778 -30.529 58 1HG1 VAL 10 1HG1 VAL 10 39.025 -0.207 -31.922 59 2HG1 VAL 10 2HG1 VAL 10 38.460 -0.515 -30.281 60 3HG1 VAL 10 3HG1 VAL 10 38.881 1.124 -30.775 61 1HG2 VAL 10 1HG2 VAL 10 40.308 -1.626 -28.905 62 2HG2 VAL 10 2HG2 VAL 10 41.614 -0.479 -28.603 63 3HG2 VAL 10 3HG2 VAL 10 39.936 0.022 -28.399 64 H VAL 11 H VAL 11 41.580 -2.247 -33.610 65 HA VAL 11 HA VAL 11 43.194 -0.245 -34.808 66 HB VAL 11 HB VAL 11 41.624 -2.446 -36.156 67 1HG1 VAL 11 1HG1 VAL 11 42.881 -0.308 -37.326 68 2HG1 VAL 11 2HG1 VAL 11 44.122 -1.559 -37.372 69 3HG1 VAL 11 3HG1 VAL 11 42.546 -1.854 -38.105 70 1HG2 VAL 11 1HG2 VAL 11 43.979 -2.501 -34.483 71 2HG2 VAL 11 2HG2 VAL 11 43.030 -3.836 -35.134 72 3HG2 VAL 11 3HG2 VAL 11 44.321 -3.120 -36.098 73 H TYR 12 H TYR 12 41.926 1.668 -34.454 74 HA TYR 12 HA TYR 12 39.340 2.052 -35.512 75 1HB TYR 12 1HB TYR 12 41.546 4.008 -34.848 76 2HB TYR 12 2HB TYR 12 39.928 4.504 -35.340 77 HD1 TYR 12 HD1 TYR 12 37.970 3.803 -33.895 78 HD2 TYR 12 HD2 TYR 12 42.014 3.441 -32.630 79 HE1 TYR 12 HE1 TYR 12 37.216 3.634 -31.558 80 HE2 TYR 12 HE2 TYR 12 41.274 3.270 -30.288 81 HH TYR 12 HH TYR 12 37.844 3.139 -29.451 82 H SER 13 H SER 13 39.349 4.246 -37.096 83 HA SER 13 HA SER 13 41.010 3.606 -39.421 84 1HB SER 13 1HB SER 13 38.046 3.455 -39.255 85 2HB SER 13 2HB SER 13 38.730 4.172 -40.714 86 HG SER 13 HG SER 13 38.796 1.558 -39.821 87 H VAL 14 H VAL 14 41.369 5.327 -40.845 88 HA VAL 14 HA VAL 14 41.786 7.813 -39.804 89 HB VAL 14 HB VAL 14 42.776 7.284 -41.898 90 1HG1 VAL 14 1HG1 VAL 14 40.221 6.247 -42.521 91 2HG1 VAL 14 2HG1 VAL 14 40.610 7.462 -43.738 92 3HG1 VAL 14 3HG1 VAL 14 41.712 6.116 -43.453 93 1HG2 VAL 14 1HG2 VAL 14 41.657 9.692 -41.405 94 2HG2 VAL 14 2HG2 VAL 14 42.673 9.346 -42.804 95 3HG2 VAL 14 3HG2 VAL 14 40.916 9.306 -42.958 96 H GLY 15 H GLY 15 40.022 8.447 -38.525 97 1HA GLY 15 1HA GLY 15 38.405 10.257 -38.580 98 2HA GLY 15 2HA GLY 15 37.774 9.568 -40.067 99 H MET 16 H MET 16 38.634 7.526 -37.383 100 HA MET 16 HA MET 16 35.792 6.878 -37.038 101 1HB MET 16 1HB MET 16 37.541 5.105 -37.670 102 2HB MET 16 2HB MET 16 38.112 5.252 -36.014 103 1HG MET 16 1HG MET 16 36.490 3.951 -35.258 104 2HG MET 16 2HG MET 16 35.257 4.899 -36.085 105 1HE MET 16 1HE MET 16 36.922 1.900 -35.525 106 2HE MET 16 2HE MET 16 35.354 1.216 -35.952 107 3HE MET 16 3HE MET 16 36.773 0.841 -36.928 108 H GLN 17 H GLN 17 36.383 9.183 -35.828 109 HA GLN 17 HA GLN 17 37.491 9.522 -33.442 110 1HB GLN 17 1HB GLN 17 34.839 10.379 -34.483 111 2HB GLN 17 2HB GLN 17 35.158 10.638 -32.773 112 1HG GLN 17 1HG GLN 17 37.400 11.664 -33.711 113 2HG GLN 17 2HG GLN 17 36.410 11.890 -35.151 114 2HE2 GLN 17 1HE2 GLN 17 33.951 12.354 -33.883 115 1HE2 GLN 17 2HE2 GLN 17 34.032 13.885 -33.087 116 H TRP 18 H TRP 18 37.488 8.663 -31.466 117 HA TRP 18 HA TRP 18 35.213 7.008 -30.644 118 1HB TRP 18 1HB TRP 18 36.648 5.221 -29.887 119 2HB TRP 18 2HB TRP 18 36.983 5.537 -31.587 120 HD1 TRP 18 HD1 TRP 18 38.529 6.020 -28.101 121 HE1 TRP 18 HE1 TRP 18 41.059 6.356 -28.379 122 HE3 TRP 18 HE3 TRP 18 38.762 6.271 -33.204 123 HZ2 TRP 18 HZ2 TRP 18 42.921 6.689 -30.489 124 HZ3 TRP 18 HZ3 TRP 18 40.951 6.599 -34.269 125 HH2 TRP 18 HH2 TRP 18 42.987 6.804 -32.939 126 H LEU 19 H LEU 19 35.999 6.135 -28.251 127 HA LEU 19 HA LEU 19 36.755 8.549 -26.743 128 1HB LEU 19 1HB LEU 19 34.639 6.524 -25.999 129 2HB LEU 19 2HB LEU 19 35.149 7.871 -25.002 130 HG LEU 19 HG LEU 19 33.077 8.463 -26.020 131 1HD1 LEU 19 1HD1 LEU 19 34.998 10.139 -25.948 132 2HD1 LEU 19 2HD1 LEU 19 35.122 9.884 -27.690 133 3HD1 LEU 19 3HD1 LEU 19 33.627 10.514 -26.995 134 1HD2 LEU 19 1HD2 LEU 19 33.568 6.768 -27.968 135 2HD2 LEU 19 2HD2 LEU 19 32.489 8.142 -28.210 136 3HD2 LEU 19 3HD2 LEU 19 34.153 8.217 -28.785 137 H LYS 20 H LYS 20 38.326 8.273 -25.280 138 HA LYS 20 HA LYS 20 39.030 5.504 -24.552 139 1HB LYS 20 1HB LYS 20 41.295 5.935 -24.768 140 2HB LYS 20 2HB LYS 20 40.616 6.848 -26.108 141 1HG LYS 20 1HG LYS 20 40.881 8.896 -24.971 142 2HG LYS 20 2HG LYS 20 41.224 8.083 -23.441 143 1HD LYS 20 1HD LYS 20 42.979 7.581 -25.803 144 2HD LYS 20 2HD LYS 20 43.174 9.071 -24.878 145 1HE LYS 20 1HE LYS 20 43.058 7.241 -22.885 146 2HE LYS 20 2HE LYS 20 43.823 6.293 -24.160 147 1HZ LYS 20 1HZ LYS 20 45.133 8.685 -24.226 148 2HZ LYS 20 2HZ LYS 20 44.911 8.406 -22.572 149 3HZ LYS 20 3HZ LYS 20 45.706 7.256 -23.523 150 H THR 21 H THR 21 39.504 5.059 -22.452 151 HA THR 21 HA THR 21 39.140 7.261 -20.526 152 HB THR 21 HB THR 21 38.055 4.477 -20.554 153 HG1 THR 21 HG1 THR 21 37.045 6.854 -20.813 154 1HG2 THR 21 1HG2 THR 21 39.339 4.561 -18.478 155 2HG2 THR 21 2HG2 THR 21 38.539 6.068 -18.032 156 3HG2 THR 21 3HG2 THR 21 37.605 4.576 -18.145 157 H GLN 22 H GLN 22 41.322 5.065 -21.724 158 HA GLN 22 HA GLN 22 42.658 4.373 -19.281 159 1HB GLN 22 2HB GLN 22 44.181 3.187 -20.605 160 2HB GLN 22 1HB GLN 22 43.942 4.242 -21.991 161 1HG GLN 22 1HG GLN 22 41.455 3.025 -21.385 162 2HG GLN 22 2HG GLN 22 42.461 2.832 -22.820 163 2HE2 GLN 22 1HE2 GLN 22 40.863 1.100 -20.707 164 1HE2 GLN 22 2HE2 GLN 22 41.886 -0.283 -20.544 165 H GLY 23 H GLY 23 43.085 6.334 -18.269 166 1HA GLY 23 1HA GLY 23 45.590 7.479 -18.745 167 2HA GLY 23 2HA GLY 23 44.380 8.532 -19.465 168 H ASN 24 H ASN 24 42.323 8.102 -17.569 169 HA ASN 24 HA ASN 24 43.077 8.433 -14.907 170 1HB ASN 24 1HB ASN 24 44.071 10.554 -16.021 171 2HB ASN 24 2HB ASN 24 42.402 11.115 -16.083 172 2HD2 ASN 24 1HD2 ASN 24 44.620 12.224 -14.609 173 1HD2 ASN 24 2HD2 ASN 24 44.174 12.189 -12.941 174 H LYS 25 H LYS 25 40.827 10.027 -17.177 175 HA LYS 25 HA LYS 25 38.600 8.825 -15.686 176 1HB LYS 25 1HB LYS 25 37.424 11.120 -16.269 177 2HB LYS 25 2HB LYS 25 38.380 10.932 -14.805 178 1HG LYS 25 1HG LYS 25 39.762 11.868 -17.259 179 2HG LYS 25 2HG LYS 25 38.693 12.993 -16.417 180 1HD LYS 25 1HD LYS 25 40.742 11.438 -14.890 181 2HD LYS 25 2HD LYS 25 41.212 12.890 -15.777 182 1HE LYS 25 1HE LYS 25 38.979 13.738 -14.464 183 2HE LYS 25 2HE LYS 25 39.668 12.606 -13.301 184 1HZ LYS 25 1HZ LYS 25 41.582 14.408 -14.494 185 2HZ LYS 25 2HZ LYS 25 40.407 15.175 -13.553 186 3HZ LYS 25 3HZ LYS 25 41.374 13.966 -12.874 187 H GLN 26 H GLN 26 38.208 11.233 -18.184 188 HA GLN 26 HA GLN 26 37.630 9.148 -20.162 189 1HB GLN 26 1HB GLN 26 35.690 10.876 -18.882 190 2HB GLN 26 2HB GLN 26 35.715 11.137 -20.621 191 1HG GLN 26 1HG GLN 26 35.664 8.500 -20.664 192 2HG GLN 26 2HG GLN 26 34.942 8.727 -19.072 193 2HE2 GLN 26 1HE2 GLN 26 33.776 11.311 -19.925 194 1HE2 GLN 26 2HE2 GLN 26 32.402 10.894 -20.886 195 H MET 27 H MET 27 38.590 9.554 -22.032 196 HA MET 27 HA MET 27 39.242 12.347 -22.709 197 1HB MET 27 1HB MET 27 41.121 10.601 -21.936 198 2HB MET 27 2HB MET 27 41.050 10.183 -23.641 199 1HG MET 27 1HG MET 27 41.157 12.931 -23.673 200 2HG MET 27 2HG MET 27 42.213 12.494 -22.331 201 1HE MET 27 1HE MET 27 44.044 13.463 -23.123 202 2HE MET 27 2HE MET 27 45.247 12.617 -24.096 203 3HE MET 27 3HE MET 27 44.162 13.784 -24.853 204 H LEU 28 H LEU 28 39.155 12.914 -24.873 205 HA LEU 28 HA LEU 28 37.649 11.057 -26.576 206 1HB LEU 28 1HB LEU 28 37.084 13.607 -25.988 207 2HB LEU 28 2HB LEU 28 38.116 13.877 -27.380 208 HG LEU 28 HG LEU 28 36.348 11.875 -28.184 209 1HD1 LEU 28 1HD1 LEU 28 35.059 13.859 -26.370 210 2HD1 LEU 28 2HD1 LEU 28 34.182 13.269 -27.782 211 3HD1 LEU 28 3HD1 LEU 28 34.746 12.134 -26.556 212 1HD2 LEU 28 1HD2 LEU 28 37.344 14.148 -29.201 213 2HD2 LEU 28 2HD2 LEU 28 35.972 13.293 -29.908 214 3HD2 LEU 28 3HD2 LEU 28 35.699 14.679 -28.851 215 H CYS 29 H CYS 29 38.696 10.021 -28.161 216 HA CYS 29 HA CYS 29 41.247 11.166 -29.090 217 1HB CYS 29 1HB CYS 29 40.366 8.398 -28.508 218 2HB CYS 29 2HB CYS 29 41.443 8.609 -29.885 219 H THR 30 H THR 30 41.643 11.430 -31.225 220 HA THR 30 HA THR 30 39.715 10.415 -33.177 221 HB THR 30 HB THR 30 40.495 13.335 -33.064 222 HG1 THR 30 HG1 THR 30 38.925 12.945 -31.514 223 1HG2 THR 30 1HG2 THR 30 38.823 11.722 -34.983 224 2HG2 THR 30 2HG2 THR 30 38.700 13.477 -34.861 225 3HG2 THR 30 3HG2 THR 30 40.226 12.731 -35.343 226 H CYS 31 H CYS 31 40.720 9.626 -34.905 227 HA CYS 31 HA CYS 31 43.554 10.242 -35.252 228 1HB CYS 31 1HB CYS 31 43.526 8.253 -36.784 229 2HB CYS 31 2HB CYS 31 43.120 7.900 -35.109 230 H LEU 32 H LEU 32 43.837 11.991 -36.462 231 HA LEU 32 HA LEU 32 42.058 12.673 -38.612 232 1HB LEU 32 1HB LEU 32 44.001 14.427 -38.975 233 2HB LEU 32 2HB LEU 32 42.829 14.601 -37.683 234 HG LEU 32 HG LEU 32 45.246 13.075 -36.968 235 1HD1 LEU 32 1HD1 LEU 32 45.389 15.804 -38.079 236 2HD1 LEU 32 2HD1 LEU 32 46.271 15.509 -36.580 237 3HD1 LEU 32 3HD1 LEU 32 46.612 14.535 -38.010 238 1HD2 LEU 32 1HD2 LEU 32 43.252 13.964 -35.530 239 2HD2 LEU 32 2HD2 LEU 32 44.896 13.999 -34.891 240 3HD2 LEU 32 3HD2 LEU 32 44.172 15.469 -35.548 241 H GLY 33 H GLY 33 45.500 13.059 -39.096 242 1HA GLY 33 1HA GLY 33 45.502 10.941 -41.125 243 2HA GLY 33 2HA GLY 33 45.864 12.581 -41.632 244 H ASN 34 H ASN 34 47.401 13.418 -39.454 245 HA ASN 34 HA ASN 34 49.910 12.216 -40.125 246 1HB ASN 34 2HB ASN 34 49.417 14.685 -39.487 247 2HB ASN 34 1HB ASN 34 50.912 13.946 -38.916 248 2HD2 ASN 34 1HD2 ASN 34 51.235 15.079 -37.095 249 1HD2 ASN 34 2HD2 ASN 34 50.154 15.096 -35.748 250 H GLY 35 H GLY 35 47.556 11.802 -37.643 251 1HA GLY 35 1HA GLY 35 48.684 9.415 -36.693 252 2HA GLY 35 2HA GLY 35 49.145 10.710 -35.599 253 H VAL 36 H VAL 36 47.891 10.731 -33.864 254 HA VAL 36 HA VAL 36 45.001 10.673 -34.206 255 HB VAL 36 HB VAL 36 46.490 8.717 -32.461 256 1HG1 VAL 36 1HG1 VAL 36 43.744 9.816 -32.207 257 2HG1 VAL 36 2HG1 VAL 36 43.971 8.091 -31.927 258 3HG1 VAL 36 3HG1 VAL 36 44.863 9.265 -30.961 259 1HG2 VAL 36 1HG2 VAL 36 44.833 8.567 -34.900 260 2HG2 VAL 36 2HG2 VAL 36 46.213 7.590 -34.404 261 3HG2 VAL 36 3HG2 VAL 36 44.620 7.283 -33.708 262 H SER 37 H SER 37 44.319 12.457 -33.267 263 HA SER 37 HA SER 37 45.733 13.471 -30.905 264 1HB SER 37 1HB SER 37 45.337 14.919 -32.996 265 2HB SER 37 2HB SER 37 43.649 14.975 -32.484 266 HG SER 37 HG SER 37 44.246 16.513 -31.199 267 H CYS 38 H CYS 38 44.656 13.929 -28.992 268 HA CYS 38 HA CYS 38 41.823 13.192 -28.857 269 1HB CYS 38 1HB CYS 38 43.771 12.283 -26.751 270 2HB CYS 38 2HB CYS 38 42.117 11.746 -27.005 271 H GLN 39 H GLN 39 40.745 13.944 -26.880 272 HA GLN 39 HA GLN 39 42.057 16.327 -25.743 273 1HB GLN 39 1HB GLN 39 39.711 16.203 -27.309 274 2HB GLN 39 2HB GLN 39 39.189 16.529 -25.662 275 1HG GLN 39 1HG GLN 39 41.351 18.224 -26.053 276 2HG GLN 39 2HG GLN 39 40.461 18.271 -27.575 277 2HE2 GLN 39 1HE2 GLN 39 39.447 17.965 -24.190 278 1HE2 GLN 39 2HE2 GLN 39 38.375 19.320 -24.209 279 H GLU 40 H GLU 40 42.361 16.177 -23.629 280 HA GLU 40 HA GLU 40 41.295 14.087 -22.049 281 1HB GLU 40 2HB GLU 40 43.467 15.472 -21.732 282 2HB GLU 40 1HB GLU 40 42.592 14.916 -20.312 283 1HG GLU 40 1HG GLU 40 42.558 17.677 -21.506 284 2HG GLU 40 2HG GLU 40 41.495 17.150 -20.201 285 H THR 41 H THR 41 39.544 13.972 -20.780 286 HA THR 41 HA THR 41 37.683 14.588 -19.599 287 HB THR 41 HB THR 41 38.350 17.464 -20.242 288 HG1 THR 41 HG1 THR 41 39.991 17.145 -18.945 289 1HG2 THR 41 1HG2 THR 41 36.326 16.098 -18.603 290 2HG2 THR 41 2HG2 THR 41 37.156 17.432 -17.802 291 3HG2 THR 41 3HG2 THR 41 36.305 17.708 -19.322 292 H ALA 42 H ALA 42 38.157 16.728 -22.415 293 HA ALA 42 HA ALA 42 36.846 17.178 -24.218 294 1HB ALA 42 2HB ALA 42 35.200 14.746 -23.629 295 2HB ALA 42 1HB ALA 42 36.855 14.597 -24.217 296 3HB ALA 42 3HB ALA 42 35.648 15.439 -25.187 297 H VAL 43 H VAL 43 34.530 15.624 -21.996 298 HA VAL 43 HA VAL 43 32.457 17.458 -22.508 299 HB VAL 43 HB VAL 43 31.244 16.421 -20.763 300 1HG1 VAL 43 1HG1 VAL 43 31.880 15.002 -22.751 301 2HG1 VAL 43 2HG1 VAL 43 33.096 14.251 -21.717 302 3HG1 VAL 43 3HG1 VAL 43 31.386 14.121 -21.305 303 1HG2 VAL 43 1HG2 VAL 43 33.933 15.657 -19.666 304 2HG2 VAL 43 2HG2 VAL 43 32.654 16.594 -18.893 305 3HG2 VAL 43 3HG2 VAL 43 32.448 14.860 -19.146 306 H THR 44 H THR 44 31.388 18.631 -20.525 307 HA THR 44 HA THR 44 33.399 19.987 -18.888 308 HB THR 44 HB THR 44 33.086 22.077 -19.691 309 HG1 THR 44 HG1 THR 44 30.967 22.681 -20.648 310 1HG2 THR 44 1HG2 THR 44 33.470 20.429 -21.685 311 2HG2 THR 44 2HG2 THR 44 31.832 20.901 -22.137 312 3HG2 THR 44 3HG2 THR 44 33.097 22.123 -22.003 313 H GLN 45 H GLN 45 31.692 21.983 -17.895 314 HA GLN 45 HA GLN 45 30.277 20.500 -15.920 315 1HB GLN 45 1HB GLN 45 30.204 23.464 -16.520 316 2HB GLN 45 2HB GLN 45 29.596 22.700 -15.057 317 1HG GLN 45 1HG GLN 45 32.467 22.535 -15.932 318 2HG GLN 45 2HG GLN 45 31.844 23.796 -14.868 319 2HE2 GLN 45 1HE2 GLN 45 33.513 22.867 -13.441 320 1HE2 GLN 45 2HE2 GLN 45 33.075 21.533 -12.435 321 H THR 46 H THR 46 28.011 20.634 -15.439 322 HA THR 46 HA THR 46 26.316 21.206 -17.779 323 HB THR 46 HB THR 46 24.885 19.251 -16.616 324 HG1 THR 46 HG1 THR 46 26.928 19.023 -15.202 325 1HG2 THR 46 1HG2 THR 46 26.165 19.588 -18.986 326 2HG2 THR 46 2HG2 THR 46 27.005 18.173 -18.348 327 3HG2 THR 46 3HG2 THR 46 25.253 18.144 -18.547 328 H TYR 47 H TYR 47 24.642 22.506 -17.378 329 HA TYR 47 HA TYR 47 23.523 22.645 -14.684 330 1HB TYR 47 1HB TYR 47 23.645 25.082 -14.624 331 2HB TYR 47 2HB TYR 47 25.259 24.393 -14.771 332 HD1 TYR 47 HD1 TYR 47 22.620 26.269 -16.504 333 HD2 TYR 47 HD2 TYR 47 26.577 24.726 -16.766 334 HE1 TYR 47 HE1 TYR 47 23.027 27.663 -18.489 335 HE2 TYR 47 HE2 TYR 47 26.993 26.116 -18.751 336 HH TYR 47 HH TYR 47 24.943 27.297 -20.633 337 H GLY 48 H GLY 48 21.550 24.143 -14.681 338 1HA GLY 48 1HA GLY 48 19.398 24.429 -15.424 339 2HA GLY 48 2HA GLY 48 20.165 24.956 -16.913 340 H GLY 49 H GLY 49 18.645 24.094 -18.282 341 1HA GLY 49 1HA GLY 49 17.812 22.470 -19.679 342 2HA GLY 49 2HA GLY 49 18.987 21.361 -18.989 343 H ASN 50 H ASN 50 17.191 19.812 -19.235 344 HA ASN 50 HA ASN 50 15.053 20.107 -17.266 345 1HB ASN 50 1HB ASN 50 15.254 18.867 -19.822 346 2HB ASN 50 2HB ASN 50 14.903 17.609 -18.640 347 2HD2 ASN 50 1HD2 ASN 50 12.897 17.430 -17.856 348 1HD2 ASN 50 2HD2 ASN 50 11.596 18.510 -18.213 349 H SER 51 H SER 51 18.079 19.286 -16.955 350 HA SER 51 HA SER 51 17.500 17.081 -15.093 351 1HB SER 51 1HB SER 51 19.290 17.077 -17.355 352 2HB SER 51 2HB SER 51 20.195 16.824 -15.863 353 HG SER 51 HG SER 51 17.821 15.399 -16.193 354 H ASN 52 H ASN 52 18.468 20.207 -15.362 355 HA ASN 52 HA ASN 52 19.325 21.692 -13.879 356 1HB ASN 52 1HB ASN 52 18.225 20.592 -12.072 357 2HB ASN 52 2HB ASN 52 19.382 19.266 -12.090 358 2HD2 ASN 52 1HD2 ASN 52 18.689 22.427 -10.975 359 1HD2 ASN 52 2HD2 ASN 52 20.110 22.642 -10.016 360 H GLY 53 H GLY 53 21.121 18.632 -13.613 361 1HA GLY 53 1HA GLY 53 23.411 19.484 -14.931 362 2HA GLY 53 2HA GLY 53 23.640 19.882 -13.235 363 H GLU 54 H GLU 54 22.010 17.083 -14.681 364 HA GLU 54 HA GLU 54 23.503 15.308 -12.965 365 1HB GLU 54 1HB GLU 54 21.182 15.063 -14.798 366 2HB GLU 54 2HB GLU 54 22.126 13.610 -14.500 367 1HG GLU 54 1HG GLU 54 21.342 15.201 -12.138 368 2HG GLU 54 2HG GLU 54 20.063 14.342 -12.989 369 HA PRO 55 HA PRO 55 26.634 13.899 -15.708 370 1HB PRO 55 1HB PRO 55 26.460 11.175 -15.564 371 2HB PRO 55 2HB PRO 55 27.152 12.181 -14.286 372 1HG PRO 55 1HG PRO 55 24.413 10.991 -14.489 373 2HG PRO 55 2HG PRO 55 25.487 11.095 -13.081 374 1HD PRO 55 1HD PRO 55 23.419 12.788 -13.432 375 2HD PRO 55 2HD PRO 55 24.937 13.302 -12.667 376 H CYS 56 H CYS 56 26.485 14.176 -17.837 377 HA CYS 56 HA CYS 56 24.346 13.621 -19.476 378 1HB CYS 56 2HB CYS 56 25.797 13.992 -21.334 379 2HB CYS 56 1HB CYS 56 27.213 13.511 -20.405 380 H VAL 57 H VAL 57 24.689 12.106 -21.532 381 HA VAL 57 HA VAL 57 25.635 9.465 -20.715 382 HB VAL 57 HB VAL 57 23.224 9.620 -20.073 383 1HG1 VAL 57 1HG1 VAL 57 22.785 11.055 -22.226 384 2HG1 VAL 57 2HG1 VAL 57 22.490 9.477 -22.956 385 3HG1 VAL 57 3HG1 VAL 57 21.532 10.001 -21.571 386 1HG2 VAL 57 1HG2 VAL 57 24.587 7.579 -21.433 387 2HG2 VAL 57 2HG2 VAL 57 23.187 7.418 -20.372 388 3HG2 VAL 57 3HG2 VAL 57 22.959 7.614 -22.111 389 H LEU 58 H LEU 58 27.115 10.613 -22.438 390 HA LEU 58 HA LEU 58 26.142 9.944 -25.131 391 1HB LEU 58 1HB LEU 58 28.472 11.225 -25.605 392 2HB LEU 58 2HB LEU 58 26.912 12.020 -25.523 393 HG LEU 58 HG LEU 58 28.656 13.215 -24.262 394 1HD1 LEU 58 1HD1 LEU 58 26.071 12.520 -23.395 395 2HD1 LEU 58 2HD1 LEU 58 27.111 12.509 -21.972 396 3HD1 LEU 58 3HD1 LEU 58 27.011 13.953 -22.981 397 1HD2 LEU 58 1HD2 LEU 58 28.922 10.558 -22.967 398 2HD2 LEU 58 2HD2 LEU 58 30.155 11.753 -23.369 399 3HD2 LEU 58 3HD2 LEU 58 29.125 11.990 -21.958 400 HA PRO 59 HA PRO 59 27.962 10.288 -27.141 401 1HB PRO 59 1HB PRO 59 27.821 8.359 -29.069 402 2HB PRO 59 2HB PRO 59 29.328 9.124 -28.566 403 1HG PRO 59 2HG PRO 59 29.847 6.894 -28.165 404 2HG PRO 59 1HG PRO 59 28.175 6.495 -27.729 405 1HD PRO 59 1HD PRO 59 29.083 6.666 -25.607 406 2HD PRO 59 2HD PRO 59 30.284 7.869 -26.108 407 H PHE 60 H PHE 60 25.935 10.963 -27.437 408 HA PHE 60 HA PHE 60 23.767 8.969 -27.356 409 1HB PHE 60 1HB PHE 60 22.299 10.994 -26.905 410 2HB PHE 60 2HB PHE 60 23.420 10.555 -25.622 411 HD1 PHE 60 HD1 PHE 60 22.987 12.856 -28.498 412 HD2 PHE 60 HD2 PHE 60 24.928 12.106 -24.789 413 HE1 PHE 60 HE1 PHE 60 23.902 15.140 -28.520 414 HE2 PHE 60 HE2 PHE 60 25.848 14.388 -24.801 415 HZ PHE 60 HZ PHE 60 25.336 15.905 -26.671 416 H THR 61 H THR 61 21.758 9.910 -28.650 417 HA THR 61 HA THR 61 22.766 10.819 -31.268 418 HB THR 61 HB THR 61 20.303 9.245 -31.395 419 HG1 THR 61 HG1 THR 61 21.758 7.257 -31.178 420 1HG2 THR 61 1HG2 THR 61 22.975 9.195 -32.792 421 2HG2 THR 61 2HG2 THR 61 21.661 8.083 -33.176 422 3HG2 THR 61 3HG2 THR 61 21.443 9.818 -33.407 423 H TYR 62 H TYR 62 21.868 12.615 -32.009 424 HA TYR 62 HA TYR 62 19.123 13.285 -31.258 425 1HB TYR 62 1HB TYR 62 20.454 14.468 -29.617 426 2HB TYR 62 2HB TYR 62 21.495 15.120 -30.878 427 HD1 TYR 62 HD1 TYR 62 18.079 15.238 -29.468 428 HD2 TYR 62 HD2 TYR 62 20.896 17.077 -32.070 429 HE1 TYR 62 HE1 TYR 62 16.610 17.201 -29.660 430 HE2 TYR 62 HE2 TYR 62 19.437 19.046 -32.269 431 HH TYR 62 HH TYR 62 16.779 19.579 -30.219 432 H ASN 63 H ASN 63 17.982 14.031 -32.932 433 HA ASN 63 HA ASN 63 17.439 14.846 -34.984 434 1HB ASN 63 1HB ASN 63 19.916 16.269 -34.310 435 2HB ASN 63 2HB ASN 63 19.613 16.146 -36.041 436 2HD2 ASN 63 1HD2 ASN 63 19.536 18.439 -34.167 437 1HD2 ASN 63 2HD2 ASN 63 17.972 19.142 -34.378 438 H GLY 64 H GLY 64 19.409 12.413 -34.441 439 1HA GLY 64 1HA GLY 64 19.540 10.617 -36.033 440 2HA GLY 64 2HA GLY 64 19.687 11.814 -37.309 441 H ARG 65 H ARG 65 21.619 13.046 -35.043 442 HA ARG 65 HA ARG 65 23.966 11.651 -36.132 443 1HB ARG 65 2HB ARG 65 23.839 14.059 -36.614 444 2HB ARG 65 1HB ARG 65 25.240 13.660 -35.631 445 1HG ARG 65 1HG ARG 65 23.216 14.272 -33.810 446 2HG ARG 65 2HG ARG 65 24.623 15.250 -34.229 447 1HD ARG 65 1HD ARG 65 22.187 15.335 -35.956 448 2HD ARG 65 2HD ARG 65 22.220 16.246 -34.447 449 HE ARG 65 HE ARG 65 24.528 16.966 -35.661 450 1HH1 ARG 65 1HH1 ARG 65 21.199 16.910 -36.677 451 2HH1 ARG 65 2HH1 ARG 65 21.370 18.249 -37.762 452 1HH2 ARG 65 1HH2 ARG 65 24.765 18.735 -37.089 453 2HH2 ARG 65 2HH2 ARG 65 23.397 19.285 -37.996 454 H THR 66 H THR 66 25.868 12.508 -34.297 455 HA THR 66 HA THR 66 24.982 11.492 -31.698 456 HB THR 66 HB THR 66 27.414 10.381 -33.106 457 HG1 THR 66 HG1 THR 66 25.126 8.855 -32.492 458 1HG2 THR 66 1HG2 THR 66 27.075 10.546 -30.460 459 2HG2 THR 66 2HG2 THR 66 26.166 9.065 -30.759 460 3HG2 THR 66 3HG2 THR 66 27.863 9.170 -31.229 461 H PHE 67 H PHE 67 26.259 12.149 -29.945 462 HA PHE 67 HA PHE 67 28.473 13.977 -30.540 463 1HB PHE 67 1HB PHE 67 26.431 14.674 -28.447 464 2HB PHE 67 2HB PHE 67 27.633 15.716 -29.198 465 HD1 PHE 67 HD1 PHE 67 24.788 13.553 -30.301 466 HD2 PHE 67 HD2 PHE 67 26.816 17.280 -30.645 467 HE1 PHE 67 HE1 PHE 67 23.107 14.316 -31.928 468 HE2 PHE 67 HE2 PHE 67 25.138 18.048 -32.271 469 HZ PHE 67 HZ PHE 67 23.281 16.566 -32.915 470 H TYR 68 H TYR 68 30.116 13.994 -29.058 471 HA TYR 68 HA TYR 68 30.060 11.864 -27.066 472 1HB TYR 68 1HB TYR 68 32.264 13.516 -28.289 473 2HB TYR 68 2HB TYR 68 32.544 12.503 -26.877 474 HD1 TYR 68 HD1 TYR 68 30.152 10.738 -28.518 475 HD2 TYR 68 HD2 TYR 68 34.221 11.871 -29.013 476 HE1 TYR 68 HE1 TYR 68 30.504 8.796 -29.982 477 HE2 TYR 68 HE2 TYR 68 34.590 9.932 -30.476 478 HH TYR 68 HH TYR 68 32.503 8.376 -32.033 479 H SER 69 H SER 69 28.856 14.723 -26.907 480 HA SER 69 HA SER 69 28.978 15.053 -24.163 481 1HB SER 69 1HB SER 69 31.363 15.588 -24.492 482 2HB SER 69 2HB SER 69 30.914 16.894 -25.589 483 HG SER 69 HG SER 69 30.761 18.079 -23.873 484 H CYS 70 H CYS 70 28.891 17.844 -23.912 485 HA CYS 70 HA CYS 70 26.267 18.410 -24.643 486 1HB CYS 70 2HB CYS 70 26.613 20.548 -23.751 487 2HB CYS 70 1HB CYS 70 28.305 20.579 -24.230 488 H THR 71 H THR 71 25.448 20.024 -26.122 489 HA THR 71 HA THR 71 27.121 20.888 -28.310 490 HB THR 71 HB THR 71 26.494 18.530 -28.915 491 HG1 THR 71 HG1 THR 71 26.695 19.315 -30.863 492 1HG2 THR 71 1HG2 THR 71 23.859 19.572 -28.292 493 2HG2 THR 71 2HG2 THR 71 23.921 18.857 -29.904 494 3HG2 THR 71 3HG2 THR 71 24.390 17.903 -28.497 495 H THR 72 H THR 72 25.533 21.813 -30.111 496 HA THR 72 HA THR 72 23.219 23.102 -28.871 497 HB THR 72 HB THR 72 24.107 25.226 -30.221 498 HG1 THR 72 HG1 THR 72 26.069 24.368 -30.880 499 1HG2 THR 72 1HG2 THR 72 24.276 24.328 -27.453 500 2HG2 THR 72 2HG2 THR 72 25.463 25.569 -27.853 501 3HG2 THR 72 3HG2 THR 72 23.745 25.878 -28.110 502 H GLU 73 H GLU 73 22.032 21.689 -30.254 503 HA GLU 73 HA GLU 73 21.800 22.728 -32.980 504 1HB GLU 73 1HB GLU 73 22.433 19.917 -32.196 505 2HB GLU 73 2HB GLU 73 21.423 20.196 -33.608 506 1HG GLU 73 1HG GLU 73 24.054 21.584 -33.302 507 2HG GLU 73 2HG GLU 73 23.958 19.937 -33.923 508 H GLY 74 H GLY 74 20.300 22.389 -30.223 509 1HA GLY 74 1HA GLY 74 17.705 21.809 -31.496 510 2HA GLY 74 2HA GLY 74 18.111 21.103 -29.940 511 H ARG 75 H ARG 75 19.338 24.241 -30.408 512 HA ARG 75 HA ARG 75 17.043 25.428 -29.003 513 1HB ARG 75 2HB ARG 75 18.930 24.916 -27.437 514 2HB ARG 75 1HB ARG 75 18.481 26.615 -27.502 515 1HG ARG 75 1HG ARG 75 20.381 26.898 -29.165 516 2HG ARG 75 2HG ARG 75 20.817 26.599 -27.481 517 1HD ARG 75 1HD ARG 75 22.123 24.971 -28.272 518 2HD ARG 75 2HD ARG 75 20.633 24.066 -28.530 519 HE ARG 75 HE ARG 75 21.163 24.155 -30.736 520 1HH1 ARG 75 1HH1 ARG 75 22.296 27.102 -29.250 521 2HH1 ARG 75 2HH1 ARG 75 22.830 27.796 -30.742 522 1HH2 ARG 75 1HH2 ARG 75 21.873 25.064 -32.699 523 2HH2 ARG 75 2HH2 ARG 75 22.593 26.640 -32.699 524 H GLN 76 H GLN 76 17.303 27.922 -28.974 525 HA GLN 76 HA GLN 76 18.235 28.778 -31.636 526 1HB GLN 76 2HB GLN 76 15.715 28.672 -31.255 527 2HB GLN 76 1HB GLN 76 16.362 30.183 -31.879 528 1HG GLN 76 1HG GLN 76 14.792 29.748 -29.564 529 2HG GLN 76 2HG GLN 76 16.376 30.325 -29.047 530 2HE2 GLN 76 1HE2 GLN 76 13.594 31.528 -29.220 531 1HE2 GLN 76 2HE2 GLN 76 13.846 33.044 -30.009 532 H ASP 77 H ASP 77 19.361 28.873 -28.762 533 HA ASP 77 HA ASP 77 19.862 31.772 -28.672 534 1HB ASP 77 1HB ASP 77 18.924 30.210 -26.651 535 2HB ASP 77 2HB ASP 77 20.656 30.147 -26.343 536 H GLY 78 H GLY 78 21.613 28.952 -27.423 537 1HA GLY 78 1HA GLY 78 23.671 28.500 -28.983 538 2HA GLY 78 2HA GLY 78 24.098 30.116 -28.444 539 H HIS 79 H HIS 79 22.539 27.610 -26.520 540 HA HIS 79 HA HIS 79 24.902 27.606 -24.763 541 1HB HIS 79 1HB HIS 79 22.285 26.612 -23.765 542 2HB HIS 79 2HB HIS 79 23.543 27.507 -22.921 543 HD1 HIS 79 HD1 HIS 79 20.275 28.036 -23.388 544 HD2 HIS 79 HD2 HIS 79 23.542 30.237 -24.710 545 HE1 HIS 79 HE1 HIS 79 19.398 30.355 -23.808 546 HE2 HIS 79 HE2 HIS 79 21.414 31.693 -24.509 547 H LEU 80 H LEU 80 26.046 25.791 -24.696 548 HA LEU 80 HA LEU 80 25.397 23.483 -26.140 549 1HB LEU 80 1HB LEU 80 27.454 24.243 -24.156 550 2HB LEU 80 2HB LEU 80 27.154 22.524 -24.320 551 HG LEU 80 HG LEU 80 27.703 22.603 -26.681 552 1HD1 LEU 80 1HD1 LEU 80 27.567 25.519 -26.215 553 2HD1 LEU 80 2HD1 LEU 80 28.817 24.946 -27.320 554 3HD1 LEU 80 3HD1 LEU 80 27.122 24.571 -27.634 555 1HD2 LEU 80 1HD2 LEU 80 29.503 22.353 -24.979 556 2HD2 LEU 80 2HD2 LEU 80 30.052 23.039 -26.508 557 3HD2 LEU 80 3HD2 LEU 80 29.806 24.086 -25.111 558 H TRP 81 H TRP 81 24.526 21.523 -25.571 559 HA TRP 81 HA TRP 81 23.627 21.118 -22.824 560 1HB TRP 81 1HB TRP 81 21.340 20.548 -23.577 561 2HB TRP 81 2HB TRP 81 21.740 22.235 -23.878 562 HD1 TRP 81 HD1 TRP 81 21.732 23.065 -26.366 563 HE1 TRP 81 HE1 TRP 81 21.057 21.974 -28.594 564 HE3 TRP 81 HE3 TRP 81 21.359 18.206 -24.816 565 HZ2 TRP 81 HZ2 TRP 81 20.445 19.395 -29.571 566 HZ3 TRP 81 HZ3 TRP 81 20.723 16.490 -26.459 567 HH2 TRP 81 HH2 TRP 81 20.275 17.073 -28.786 568 H CYS 82 H CYS 82 23.559 19.005 -22.212 569 HA CYS 82 HA CYS 82 24.199 17.013 -24.287 570 1HB CYS 82 1HB CYS 82 25.571 15.841 -22.747 571 2HB CYS 82 2HB CYS 82 26.014 17.538 -22.585 572 H SER 83 H SER 83 23.614 14.723 -23.542 573 HA SER 83 HA SER 83 20.864 14.812 -22.529 574 1HB SER 83 1HB SER 83 20.463 12.784 -23.699 575 2HB SER 83 2HB SER 83 21.421 13.780 -24.795 576 HG SER 83 HG SER 83 21.975 11.356 -23.891 577 H THR 84 H THR 84 20.159 13.500 -20.860 578 HA THR 84 HA THR 84 22.306 12.319 -19.226 579 HB THR 84 HB THR 84 21.179 12.898 -17.283 580 HG1 THR 84 HG1 THR 84 18.773 13.584 -18.574 581 1HG2 THR 84 1HG2 THR 84 21.794 14.891 -18.915 582 2HG2 THR 84 2HG2 THR 84 20.050 15.150 -18.869 583 3HG2 THR 84 3HG2 THR 84 20.986 15.182 -17.374 584 H THR 85 H THR 85 19.668 11.549 -21.150 585 HA THR 85 HA THR 85 19.478 8.881 -19.914 586 HB THR 85 HB THR 85 17.171 10.234 -21.313 587 HG1 THR 85 HG1 THR 85 17.348 11.447 -19.510 588 1HG2 THR 85 1HG2 THR 85 17.585 7.596 -20.632 589 2HG2 THR 85 2HG2 THR 85 16.635 8.211 -19.279 590 3HG2 THR 85 3HG2 THR 85 16.018 8.351 -20.925 591 H SER 86 H SER 86 19.766 7.195 -21.257 592 HA SER 86 HA SER 86 20.906 7.404 -23.739 593 1HB SER 86 1HB SER 86 19.358 5.022 -23.789 594 2HB SER 86 2HB SER 86 21.071 5.195 -23.401 595 HG SER 86 HG SER 86 19.021 4.613 -21.768 596 H ASN 87 H ASN 87 17.545 7.574 -22.890 597 HA ASN 87 HA ASN 87 16.856 7.879 -25.740 598 1HB ASN 87 1HB ASN 87 15.745 6.141 -23.803 599 2HB ASN 87 2HB ASN 87 14.541 7.388 -24.108 600 2HD2 ASN 87 1HD2 ASN 87 13.391 7.324 -25.939 601 1HD2 ASN 87 2HD2 ASN 87 13.622 6.174 -27.207 602 H TYR 88 H TYR 88 17.526 10.136 -25.417 603 HA TYR 88 HA TYR 88 16.069 11.829 -23.640 604 1HB TYR 88 1HB TYR 88 18.163 12.692 -24.169 605 2HB TYR 88 2HB TYR 88 18.021 12.268 -25.872 606 HD1 TYR 88 HD1 TYR 88 16.593 13.659 -27.370 607 HD2 TYR 88 HD2 TYR 88 17.432 14.806 -23.360 608 HE1 TYR 88 HE1 TYR 88 15.893 15.957 -27.888 609 HE2 TYR 88 HE2 TYR 88 16.734 17.108 -23.868 610 HH TYR 88 HH TYR 88 16.140 18.542 -25.478 611 H GLU 89 H GLU 89 15.342 10.395 -26.602 612 HA GLU 89 HA GLU 89 13.647 12.463 -27.637 613 1HB GLU 89 1HB GLU 89 13.944 9.546 -28.360 614 2HB GLU 89 2HB GLU 89 12.897 10.667 -29.219 615 1HG GLU 89 1HG GLU 89 15.252 12.010 -29.261 616 2HG GLU 89 2HG GLU 89 15.804 10.338 -29.326 617 H GLN 90 H GLN 90 13.350 10.192 -25.174 618 HA GLN 90 HA GLN 90 10.420 10.457 -25.224 619 1HB GLN 90 1HB GLN 90 10.112 8.258 -24.507 620 2HB GLN 90 2HB GLN 90 11.398 8.123 -25.700 621 1HG GLN 90 2HG GLN 90 12.699 8.563 -23.282 622 2HG GLN 90 1HG GLN 90 12.593 7.052 -24.181 623 2HE2 GLN 90 1HE2 GLN 90 9.898 8.683 -22.654 624 1HE2 GLN 90 2HE2 GLN 90 9.599 7.475 -21.455 625 H ASP 91 H ASP 91 13.353 10.454 -23.333 626 HA ASP 91 HA ASP 91 11.984 10.791 -20.817 627 1HB ASP 91 1HB ASP 91 14.613 10.116 -21.641 628 2HB ASP 91 2HB ASP 91 14.735 11.583 -20.673 629 H GLN 92 H GLN 92 14.107 12.847 -22.811 630 HA GLN 92 HA GLN 92 14.003 15.101 -23.223 631 1HB GLN 92 1HB GLN 92 11.425 14.585 -22.458 632 2HB GLN 92 2HB GLN 92 11.928 15.764 -21.254 633 1HG GLN 92 1HG GLN 92 11.628 17.402 -22.701 634 2HG GLN 92 2HG GLN 92 12.790 16.668 -23.805 635 2HE2 GLN 92 1HE2 GLN 92 11.965 15.007 -25.262 636 1HE2 GLN 92 2HE2 GLN 92 10.348 15.144 -25.853 637 H LYS 93 H LYS 93 15.229 13.624 -20.821 638 HA LYS 93 HA LYS 93 15.580 15.865 -18.975 639 1HB LYS 93 1HB LYS 93 16.241 12.935 -18.840 640 2HB LYS 93 2HB LYS 93 16.952 14.077 -17.708 641 1HG LYS 93 1HG LYS 93 14.726 12.771 -17.162 642 2HG LYS 93 2HG LYS 93 14.996 14.423 -16.605 643 1HD LYS 93 1HD LYS 93 13.709 15.298 -18.459 644 2HD LYS 93 2HD LYS 93 13.527 13.678 -19.135 645 1HE LYS 93 1HE LYS 93 12.602 13.428 -16.537 646 2HE LYS 93 2HE LYS 93 12.007 15.007 -17.048 647 1HZ LYS 93 1HZ LYS 93 11.657 12.574 -18.699 648 2HZ LYS 93 2HZ LYS 93 10.530 13.043 -17.529 649 3HZ LYS 93 3HZ LYS 93 10.858 14.057 -18.843 650 H TYR 94 H TYR 94 16.905 17.258 -20.088 651 HA TYR 94 HA TYR 94 19.616 16.259 -20.673 652 1HB TYR 94 1HB TYR 94 19.781 17.761 -22.525 653 2HB TYR 94 2HB TYR 94 18.260 16.891 -22.701 654 HD1 TYR 94 HD1 TYR 94 16.128 18.036 -22.376 655 HD2 TYR 94 HD2 TYR 94 19.813 20.135 -22.046 656 HE1 TYR 94 HE1 TYR 94 14.918 20.170 -22.537 657 HE2 TYR 94 HE2 TYR 94 18.613 22.279 -22.205 658 HH TYR 94 HH TYR 94 16.608 23.226 -22.811 659 H SER 95 H SER 95 21.084 18.375 -20.971 660 HA SER 95 HA SER 95 20.541 20.329 -18.878 661 1HB SER 95 1HB SER 95 21.732 18.653 -17.628 662 2HB SER 95 2HB SER 95 22.954 18.505 -18.891 663 HG SER 95 HG SER 95 23.132 20.013 -16.828 664 H PHE 96 H PHE 96 22.709 21.811 -18.800 665 HA PHE 96 HA PHE 96 23.204 22.515 -21.615 666 1HB PHE 96 1HB PHE 96 22.890 24.175 -19.144 667 2HB PHE 96 2HB PHE 96 23.859 24.789 -20.477 668 HD1 PHE 96 HD1 PHE 96 22.425 23.912 -22.825 669 HD2 PHE 96 HD2 PHE 96 20.920 25.365 -19.120 670 HE1 PHE 96 HE1 PHE 96 20.380 24.673 -23.960 671 HE2 PHE 96 HE2 PHE 96 18.871 26.129 -20.248 672 HZ PHE 96 HZ PHE 96 18.600 25.782 -22.672 673 H CYS 97 H CYS 97 25.311 24.144 -21.492 674 HA CYS 97 HA CYS 97 27.440 22.964 -19.926 675 1HB CYS 97 1HB CYS 97 26.917 21.974 -22.512 676 2HB CYS 97 2HB CYS 97 28.339 23.001 -22.664 677 H THR 98 H THR 98 28.788 24.524 -19.332 678 HA THR 98 HA THR 98 28.496 27.192 -20.102 679 HB THR 98 HB THR 98 30.183 27.700 -18.642 680 HG1 THR 98 HG1 THR 98 31.480 25.277 -19.399 681 1HG2 THR 98 1HG2 THR 98 28.552 26.073 -17.585 682 2HG2 THR 98 2HG2 THR 98 29.799 24.841 -17.787 683 3HG2 THR 98 3HG2 THR 98 30.107 26.249 -16.771 684 H ASP 99 H ASP 99 30.299 24.611 -21.515 685 HA ASP 99 HA ASP 99 31.211 24.529 -23.635 686 1HB ASP 99 1HB ASP 99 29.843 26.684 -24.048 687 2HB ASP 99 2HB ASP 99 31.351 27.535 -23.723 688 H HIS 100 H HIS 100 32.409 27.065 -21.465 689 HA HIS 100 HA HIS 100 35.019 25.834 -21.446 690 1HB HIS 100 1HB HIS 100 34.876 27.492 -23.437 691 2HB HIS 100 2HB HIS 100 34.948 28.741 -22.198 692 HD1 HIS 100 HD1 HIS 100 36.937 25.531 -22.106 693 HD2 HIS 100 HD2 HIS 100 37.509 29.605 -22.690 694 HE1 HIS 100 HE1 HIS 100 39.430 25.864 -22.127 695 HE2 HIS 100 HE2 HIS 100 39.752 28.324 -22.560 696 H THR 101 H THR 101 33.671 29.034 -20.688 697 HA THR 101 HA THR 101 34.825 28.860 -18.012 698 HB THR 101 HB THR 101 35.157 30.933 -19.328 699 HG1 THR 101 HG1 THR 101 33.558 31.256 -16.986 700 1HG2 THR 101 1HG2 THR 101 32.368 30.648 -19.789 701 2HG2 THR 101 2HG2 THR 101 32.627 32.165 -18.927 702 3HG2 THR 101 3HG2 THR 101 33.469 31.858 -20.446 No H/Q in entry = 702 Start of MODEL 4 1 H1 TYR 1 H1 TYR 1 52.696 6.794 -44.255 2 H2 TYR 1 H2 TYR 1 51.570 6.670 -45.512 3 H3 TYR 1 H3 TYR 1 52.166 8.186 -45.056 4 HA TYR 1 HA TYR 1 50.130 8.203 -44.046 5 1HB TYR 1 1HB TYR 1 50.634 5.259 -43.842 6 2HB TYR 1 2HB TYR 1 49.461 5.999 -42.759 7 HD1 TYR 1 HD1 TYR 1 47.442 7.100 -43.696 8 HD2 TYR 1 HD2 TYR 1 50.145 4.917 -46.150 9 HE1 TYR 1 HE1 TYR 1 45.735 6.984 -45.462 10 HE2 TYR 1 HE2 TYR 1 48.447 4.795 -47.924 11 HH TYR 1 HH TYR 1 45.779 6.703 -48.050 12 H GLY 2 H GLY 2 49.663 8.770 -41.906 13 1HA GLY 2 1HA GLY 2 51.933 8.434 -40.044 14 2HA GLY 2 2HA GLY 2 50.928 9.875 -40.112 15 H HIS 3 H HIS 3 50.770 6.385 -39.464 16 HA HIS 3 HA HIS 3 48.272 6.253 -38.297 17 1HB HIS 3 1HB HIS 3 50.793 4.687 -38.000 18 2HB HIS 3 2HB HIS 3 49.505 4.407 -36.835 19 HD1 HIS 3 HD1 HIS 3 50.219 4.162 -40.529 20 HD2 HIS 3 HD2 HIS 3 47.402 2.883 -37.755 21 HE1 HIS 3 HE1 HIS 3 48.765 2.518 -41.756 22 HE2 HIS 3 HE2 HIS 3 47.018 1.819 -40.081 23 H CYS 4 H CYS 4 47.472 6.486 -36.216 24 HA CYS 4 HA CYS 4 49.156 8.117 -34.432 25 1HB CYS 4 1HB CYS 4 46.657 8.420 -33.411 26 2HB CYS 4 2HB CYS 4 47.364 9.486 -34.617 27 H VAL 5 H VAL 5 49.001 7.766 -32.135 28 HA VAL 5 HA VAL 5 47.909 5.195 -31.281 29 HB VAL 5 HB VAL 5 50.074 4.715 -30.047 30 1HG1 VAL 5 1HG1 VAL 5 49.251 4.099 -32.660 31 2HG1 VAL 5 2HG1 VAL 5 50.985 4.406 -32.746 32 3HG1 VAL 5 3HG1 VAL 5 50.359 3.189 -31.633 33 1HG2 VAL 5 1HG2 VAL 5 50.865 7.077 -31.630 34 2HG2 VAL 5 2HG2 VAL 5 51.474 6.490 -30.083 35 3HG2 VAL 5 3HG2 VAL 5 52.021 5.747 -31.585 36 H THR 6 H THR 6 47.926 4.945 -28.918 37 HA THR 6 HA THR 6 47.243 7.453 -27.649 38 HB THR 6 HB THR 6 46.649 6.002 -25.689 39 HG1 THR 6 HG1 THR 6 46.950 3.780 -27.404 40 1HG2 THR 6 1HG2 THR 6 45.445 5.857 -28.380 41 2HG2 THR 6 2HG2 THR 6 44.906 4.635 -27.230 42 3HG2 THR 6 3HG2 THR 6 44.731 6.346 -26.843 43 H ASP 7 H ASP 7 49.687 4.924 -27.269 44 HA ASP 7 HA ASP 7 51.610 6.714 -26.226 45 1HB ASP 7 1HB ASP 7 49.800 5.883 -24.299 46 2HB ASP 7 2HB ASP 7 51.160 4.785 -24.081 47 H SER 8 H SER 8 50.493 3.393 -26.508 48 HA SER 8 HA SER 8 52.514 2.387 -28.011 49 1HB SER 8 1HB SER 8 54.250 2.853 -26.510 50 2HB SER 8 2HB SER 8 53.271 2.437 -25.102 51 HG SER 8 HG SER 8 54.907 0.855 -25.770 52 H GLY 9 H GLY 9 50.035 1.729 -28.104 53 1HA GLY 9 1HA GLY 9 49.984 -1.078 -27.529 54 2HA GLY 9 2HA GLY 9 48.880 -0.174 -26.505 55 H VAL 10 H VAL 10 47.895 1.715 -28.173 56 HA VAL 10 HA VAL 10 46.282 0.100 -29.995 57 HB VAL 10 HB VAL 10 45.833 3.015 -29.407 58 1HG1 VAL 10 1HG1 VAL 10 44.546 1.103 -31.014 59 2HG1 VAL 10 2HG1 VAL 10 43.489 1.381 -29.630 60 3HG1 VAL 10 3HG1 VAL 10 44.003 2.737 -30.634 61 1HG2 VAL 10 1HG2 VAL 10 46.046 1.344 -27.352 62 2HG2 VAL 10 2HG2 VAL 10 44.831 2.620 -27.401 63 3HG2 VAL 10 3HG2 VAL 10 44.388 0.965 -27.820 64 H VAL 11 H VAL 11 45.948 0.673 -32.179 65 HA VAL 11 HA VAL 11 47.975 2.496 -33.294 66 HB VAL 11 HB VAL 11 47.046 -0.100 -34.532 67 1HG1 VAL 11 1HG1 VAL 11 48.611 2.194 -35.528 68 2HG1 VAL 11 2HG1 VAL 11 49.254 0.594 -35.902 69 3HG1 VAL 11 3HG1 VAL 11 47.620 1.027 -36.403 70 1HG2 VAL 11 1HG2 VAL 11 48.697 -0.008 -32.465 71 2HG2 VAL 11 2HG2 VAL 11 48.954 -1.123 -33.806 72 3HG2 VAL 11 3HG2 VAL 11 49.866 0.385 -33.727 73 H TYR 12 H TYR 12 46.679 4.227 -33.682 74 HA TYR 12 HA TYR 12 44.176 3.854 -35.139 75 1HB TYR 12 1HB TYR 12 45.441 6.276 -33.845 76 2HB TYR 12 2HB TYR 12 43.948 6.344 -34.773 77 HD1 TYR 12 HD1 TYR 12 42.021 4.811 -33.976 78 HD2 TYR 12 HD2 TYR 12 45.375 5.840 -31.570 79 HE1 TYR 12 HE1 TYR 12 40.739 4.235 -31.956 80 HE2 TYR 12 HE2 TYR 12 44.104 5.265 -29.542 81 HH TYR 12 HH TYR 12 42.200 4.468 -28.725 82 H SER 13 H SER 13 43.963 6.104 -36.617 83 HA SER 13 HA SER 13 46.305 6.242 -38.358 84 1HB SER 13 1HB SER 13 43.567 5.312 -39.158 85 2HB SER 13 2HB SER 13 44.605 6.128 -40.327 86 HG SER 13 HG SER 13 44.651 3.606 -39.719 87 H VAL 14 H VAL 14 46.677 8.212 -39.171 88 HA VAL 14 HA VAL 14 45.863 10.521 -38.152 89 HB VAL 14 HB VAL 14 47.556 10.512 -39.851 90 1HG1 VAL 14 1HG1 VAL 14 46.049 8.817 -41.248 91 2HG1 VAL 14 2HG1 VAL 14 45.648 10.304 -42.106 92 3HG1 VAL 14 3HG1 VAL 14 47.327 9.780 -41.988 93 1HG2 VAL 14 1HG2 VAL 14 45.749 12.490 -39.543 94 2HG2 VAL 14 2HG2 VAL 14 47.168 12.610 -40.582 95 3HG2 VAL 14 3HG2 VAL 14 45.600 12.193 -41.274 96 H GLY 15 H GLY 15 43.708 10.497 -37.495 97 1HA GLY 15 1HA GLY 15 41.679 11.686 -37.927 98 2HA GLY 15 2HA GLY 15 41.823 11.247 -39.618 99 H MET 16 H MET 16 42.149 9.087 -36.847 100 HA MET 16 HA MET 16 40.045 7.413 -37.969 101 1HB MET 16 1HB MET 16 42.370 6.998 -36.249 102 2HB MET 16 2HB MET 16 40.935 6.162 -35.671 103 1HG MET 16 1HG MET 16 41.596 5.918 -38.548 104 2HG MET 16 2HG MET 16 42.624 5.070 -37.394 105 1HE MET 16 1HE MET 16 42.339 3.302 -36.330 106 2HE MET 16 2HE MET 16 40.843 2.690 -35.626 107 3HE MET 16 3HE MET 16 41.431 2.035 -37.155 108 H GLN 17 H GLN 17 40.707 9.417 -35.184 109 HA GLN 17 HA GLN 17 39.415 10.161 -33.468 110 1HB GLN 17 1HB GLN 17 37.695 9.988 -35.787 111 2HB GLN 17 2HB GLN 17 36.780 9.712 -34.310 112 1HG GLN 17 1HG GLN 17 38.284 11.874 -33.629 113 2HG GLN 17 2HG GLN 17 37.998 12.159 -35.345 114 2HE2 GLN 17 1HE2 GLN 17 36.107 10.877 -32.624 115 1HE2 GLN 17 2HE2 GLN 17 34.728 11.882 -32.888 116 H TRP 18 H TRP 18 38.633 9.370 -31.576 117 HA TRP 18 HA TRP 18 37.063 6.999 -31.400 118 1HB TRP 18 1HB TRP 18 38.635 5.503 -30.397 119 2HB TRP 18 2HB TRP 18 39.353 6.076 -31.899 120 HD1 TRP 18 HD1 TRP 18 39.746 6.332 -28.102 121 HE1 TRP 18 HE1 TRP 18 42.074 7.286 -27.579 122 HE3 TRP 18 HE3 TRP 18 41.214 7.552 -32.848 123 HZ2 TRP 18 HZ2 TRP 18 44.251 8.413 -28.991 124 HZ3 TRP 18 HZ3 TRP 18 43.431 8.562 -33.171 125 HH2 TRP 18 HH2 TRP 18 44.916 8.982 -31.282 126 H LEU 19 H LEU 19 37.343 6.181 -28.911 127 HA LEU 19 HA LEU 19 37.323 8.585 -27.217 128 1HB LEU 19 1HB LEU 19 35.008 7.835 -27.816 129 2HB LEU 19 2HB LEU 19 35.345 6.313 -27.013 130 HG LEU 19 HG LEU 19 35.880 7.849 -24.952 131 1HD1 LEU 19 1HD1 LEU 19 34.646 9.689 -26.874 132 2HD1 LEU 19 2HD1 LEU 19 33.923 9.700 -25.266 133 3HD1 LEU 19 3HD1 LEU 19 35.643 10.017 -25.457 134 1HD2 LEU 19 1HD2 LEU 19 33.754 6.301 -25.714 135 2HD2 LEU 19 2HD2 LEU 19 33.971 7.034 -24.124 136 3HD2 LEU 19 3HD2 LEU 19 32.990 7.848 -25.345 137 H LYS 20 H LYS 20 39.044 8.318 -25.953 138 HA LYS 20 HA LYS 20 39.964 5.716 -25.150 139 1HB LYS 20 1HB LYS 20 41.543 7.529 -25.639 140 2HB LYS 20 2HB LYS 20 40.885 8.470 -24.308 141 1HG LYS 20 1HG LYS 20 42.796 7.559 -23.395 142 2HG LYS 20 2HG LYS 20 41.541 6.442 -22.854 143 1HD LYS 20 1HD LYS 20 42.602 5.686 -25.439 144 2HD LYS 20 2HD LYS 20 43.875 5.794 -24.221 145 1HE LYS 20 1HE LYS 20 42.222 4.435 -22.750 146 2HE LYS 20 2HE LYS 20 41.456 4.033 -24.285 147 1HZ LYS 20 1HZ LYS 20 43.569 3.152 -25.064 148 2HZ LYS 20 2HZ LYS 20 44.300 3.535 -23.589 149 3HZ LYS 20 3HZ LYS 20 43.079 2.366 -23.649 150 H THR 21 H THR 21 40.063 4.885 -23.060 151 HA THR 21 HA THR 21 38.547 6.250 -20.962 152 HB THR 21 HB THR 21 37.842 3.500 -20.810 153 HG1 THR 21 HG1 THR 21 37.109 4.666 -23.306 154 1HG2 THR 21 1HG2 THR 21 36.388 6.083 -21.256 155 2HG2 THR 21 2HG2 THR 21 35.521 4.549 -21.283 156 3HG2 THR 21 3HG2 THR 21 36.397 5.041 -19.833 157 H GLN 22 H GLN 22 38.667 4.870 -18.871 158 HA GLN 22 HA GLN 22 41.214 3.433 -18.690 159 1HB GLN 22 1HB GLN 22 40.419 5.873 -17.137 160 2HB GLN 22 2HB GLN 22 41.507 4.687 -16.430 161 1HG GLN 22 1HG GLN 22 42.473 5.228 -19.016 162 2HG GLN 22 2HG GLN 22 42.076 6.780 -18.282 163 2HE2 GLN 22 1HE2 GLN 22 44.558 6.706 -18.691 164 1HE2 GLN 22 2HE2 GLN 22 45.504 6.258 -17.318 165 H GLY 23 H GLY 23 38.058 3.191 -18.332 166 1HA GLY 23 1HA GLY 23 36.844 1.506 -17.293 167 2HA GLY 23 2HA GLY 23 38.276 1.085 -16.366 168 H ASN 24 H ASN 24 38.113 4.264 -15.917 169 HA ASN 24 HA ASN 24 36.277 4.045 -13.622 170 1HB ASN 24 2HB ASN 24 37.762 5.198 -12.237 171 2HB ASN 24 1HB ASN 24 38.661 5.869 -13.595 172 2HD2 ASN 24 1HD2 ASN 24 39.086 3.957 -11.127 173 1HD2 ASN 24 2HD2 ASN 24 40.153 2.766 -11.783 174 H LYS 25 H LYS 25 37.528 6.017 -16.222 175 HA LYS 25 HA LYS 25 35.256 7.840 -15.858 176 1HB LYS 25 2HB LYS 25 37.544 8.749 -15.037 177 2HB LYS 25 1HB LYS 25 36.533 9.772 -16.048 178 1HG LYS 25 1HG LYS 25 38.329 8.134 -17.622 179 2HG LYS 25 2HG LYS 25 38.077 9.881 -17.639 180 1HD LYS 25 1HD LYS 25 39.410 9.411 -15.254 181 2HD LYS 25 2HD LYS 25 40.187 8.321 -16.402 182 1HE LYS 25 1HE LYS 25 39.724 10.952 -17.532 183 2HE LYS 25 2HE LYS 25 40.708 11.023 -16.071 184 1HZ LYS 25 1HZ LYS 25 41.982 9.095 -17.214 185 2HZ LYS 25 2HZ LYS 25 41.283 9.699 -18.631 186 3HZ LYS 25 3HZ LYS 25 42.280 10.691 -17.689 187 H GLN 26 H GLN 26 36.126 9.523 -18.051 188 HA GLN 26 HA GLN 26 36.176 7.738 -20.357 189 1HB GLN 26 1HB GLN 26 33.794 9.044 -19.416 190 2HB GLN 26 2HB GLN 26 34.244 9.704 -20.983 191 1HG GLN 26 2HG GLN 26 34.542 6.970 -21.293 192 2HG GLN 26 1HG GLN 26 33.216 7.967 -21.892 193 2HE2 GLN 26 1HE2 GLN 26 31.280 8.051 -20.721 194 1HE2 GLN 26 2HE2 GLN 26 30.864 6.831 -19.571 195 H MET 27 H MET 27 36.726 8.818 -22.345 196 HA MET 27 HA MET 27 37.374 11.605 -22.367 197 1HB MET 27 1HB MET 27 39.260 10.199 -21.094 198 2HB MET 27 2HB MET 27 39.807 9.940 -22.744 199 1HG MET 27 1HG MET 27 39.227 12.690 -22.470 200 2HG MET 27 2HG MET 27 40.177 12.202 -21.068 201 1HE MET 27 1HE MET 27 42.140 13.618 -21.512 202 2HE MET 27 2HE MET 27 42.801 12.022 -21.155 203 3HE MET 27 3HE MET 27 43.483 12.988 -22.464 204 H LEU 28 H LEU 28 37.202 12.305 -24.394 205 HA LEU 28 HA LEU 28 37.095 10.350 -26.561 206 1HB LEU 28 1HB LEU 28 35.284 11.964 -26.406 207 2HB LEU 28 2HB LEU 28 36.425 13.295 -26.466 208 HG LEU 28 HG LEU 28 36.977 11.896 -28.785 209 1HD1 LEU 28 1HD1 LEU 28 34.335 11.202 -27.930 210 2HD1 LEU 28 2HD1 LEU 28 34.253 12.160 -29.409 211 3HD1 LEU 28 3HD1 LEU 28 35.216 10.682 -29.366 212 1HD2 LEU 28 1HD2 LEU 28 36.309 14.445 -28.033 213 2HD2 LEU 28 2HD2 LEU 28 36.636 13.915 -29.683 214 3HD2 LEU 28 3HD2 LEU 28 34.975 13.996 -29.095 215 H CYS 29 H CYS 29 38.944 9.897 -27.581 216 HA CYS 29 HA CYS 29 40.976 12.006 -27.810 217 1HB CYS 29 1HB CYS 29 41.089 9.071 -27.481 218 2HB CYS 29 2HB CYS 29 42.296 9.766 -28.555 219 H THR 30 H THR 30 41.991 12.436 -29.771 220 HA THR 30 HA THR 30 41.086 11.082 -32.179 221 HB THR 30 HB THR 30 40.666 14.058 -31.830 222 HG1 THR 30 HG1 THR 30 38.725 13.484 -31.233 223 1HG2 THR 30 1HG2 THR 30 40.333 12.216 -34.192 224 2HG2 THR 30 2HG2 THR 30 39.562 13.800 -34.097 225 3HG2 THR 30 3HG2 THR 30 41.322 13.674 -34.080 226 H CYS 31 H CYS 31 42.605 11.099 -33.766 227 HA CYS 31 HA CYS 31 45.045 12.627 -33.200 228 1HB CYS 31 1HB CYS 31 46.174 10.984 -34.690 229 2HB CYS 31 2HB CYS 31 45.442 10.249 -33.267 230 H LEU 32 H LEU 32 45.032 14.481 -34.248 231 HA LEU 32 HA LEU 32 43.663 14.825 -36.751 232 1HB LEU 32 1HB LEU 32 45.012 17.126 -36.508 233 2HB LEU 32 2HB LEU 32 43.505 16.802 -35.672 234 HG LEU 32 HG LEU 32 46.004 16.041 -34.263 235 1HD1 LEU 32 1HD1 LEU 32 46.031 18.479 -35.421 236 2HD1 LEU 32 2HD1 LEU 32 45.229 18.846 -33.893 237 3HD1 LEU 32 3HD1 LEU 32 46.823 18.091 -33.893 238 1HD2 LEU 32 1HD2 LEU 32 43.397 17.316 -33.444 239 2HD2 LEU 32 2HD2 LEU 32 43.859 15.627 -33.229 240 3HD2 LEU 32 3HD2 LEU 32 44.708 16.894 -32.342 241 H GLY 33 H GLY 33 46.765 16.374 -36.385 242 1HA GLY 33 1HA GLY 33 47.933 14.593 -38.408 243 2HA GLY 33 2HA GLY 33 47.842 16.313 -38.744 244 H ASN 34 H ASN 34 48.440 17.257 -36.153 245 HA ASN 34 HA ASN 34 51.307 16.939 -36.205 246 1HB ASN 34 1HB ASN 34 51.043 18.560 -34.148 247 2HB ASN 34 2HB ASN 34 50.786 19.150 -35.788 248 2HD2 ASN 34 1HD2 ASN 34 49.528 18.999 -32.726 249 1HD2 ASN 34 2HD2 ASN 34 47.890 19.421 -33.081 250 H GLY 35 H GLY 35 48.632 15.830 -34.274 251 1HA GLY 35 1HA GLY 35 50.241 13.848 -33.005 252 2HA GLY 35 2HA GLY 35 49.852 15.149 -31.890 253 H VAL 36 H VAL 36 48.441 14.189 -30.538 254 HA VAL 36 HA VAL 36 45.902 13.301 -31.702 255 HB VAL 36 HB VAL 36 47.559 11.757 -29.716 256 1HG1 VAL 36 1HG1 VAL 36 44.689 12.059 -29.757 257 2HG1 VAL 36 2HG1 VAL 36 45.159 10.386 -30.060 258 3HG1 VAL 36 3HG1 VAL 36 45.714 11.207 -28.601 259 1HG2 VAL 36 1HG2 VAL 36 46.688 11.409 -32.489 260 2HG2 VAL 36 2HG2 VAL 36 48.069 10.722 -31.636 261 3HG2 VAL 36 3HG2 VAL 36 46.475 9.984 -31.469 262 H SER 37 H SER 37 44.438 14.665 -30.947 263 HA SER 37 HA SER 37 44.737 15.744 -28.235 264 1HB SER 37 1HB SER 37 44.495 17.448 -29.933 265 2HB SER 37 2HB SER 37 43.054 16.662 -30.577 266 HG SER 37 HG SER 37 42.741 18.511 -29.097 267 H CYS 38 H CYS 38 42.889 15.840 -26.827 268 HA CYS 38 HA CYS 38 40.631 14.133 -27.503 269 1HB CYS 38 1HB CYS 38 42.025 13.611 -24.902 270 2HB CYS 38 2HB CYS 38 40.904 12.581 -25.784 271 H GLN 39 H GLN 39 39.205 13.989 -25.343 272 HA GLN 39 HA GLN 39 39.134 16.641 -24.086 273 1HB GLN 39 1HB GLN 39 37.310 15.714 -26.041 274 2HB GLN 39 2HB GLN 39 36.460 15.687 -24.503 275 1HG GLN 39 1HG GLN 39 36.005 17.816 -25.073 276 2HG GLN 39 2HG GLN 39 37.571 18.102 -24.314 277 2HE2 GLN 39 1HE2 GLN 39 36.224 17.192 -27.471 278 1HE2 GLN 39 2HE2 GLN 39 37.288 18.186 -28.402 279 H GLU 40 H GLU 40 39.618 16.082 -22.040 280 HA GLU 40 HA GLU 40 39.156 13.718 -20.732 281 1HB GLU 40 2HB GLU 40 40.508 15.708 -19.931 282 2HB GLU 40 1HB GLU 40 39.592 14.849 -18.702 283 1HG GLU 40 1HG GLU 40 38.371 17.216 -20.031 284 2HG GLU 40 2HG GLU 40 38.097 16.564 -18.416 285 H THR 41 H THR 41 37.262 12.683 -20.722 286 HA THR 41 HA THR 41 35.159 12.167 -19.965 287 HB THR 41 HB THR 41 34.865 15.021 -19.033 288 HG1 THR 41 HG1 THR 41 36.184 12.812 -17.879 289 1HG2 THR 41 1HG2 THR 41 32.795 13.712 -19.159 290 2HG2 THR 41 2HG2 THR 41 33.529 12.457 -18.159 291 3HG2 THR 41 3HG2 THR 41 33.233 14.061 -17.487 292 H ALA 42 H ALA 42 35.343 15.456 -21.323 293 HA ALA 42 HA ALA 42 34.470 16.188 -23.345 294 1HB ALA 42 1HB ALA 42 34.218 13.694 -23.920 295 2HB ALA 42 3HB ALA 42 33.173 14.851 -24.744 296 3HB ALA 42 2HB ALA 42 32.544 13.893 -23.405 297 H VAL 43 H VAL 43 33.448 16.305 -20.455 298 HA VAL 43 HA VAL 43 30.691 16.630 -20.370 299 HB VAL 43 HB VAL 43 30.985 17.936 -18.396 300 1HG1 VAL 43 1HG1 VAL 43 32.173 15.471 -18.761 301 2HG1 VAL 43 2HG1 VAL 43 33.419 16.417 -17.948 302 3HG1 VAL 43 3HG1 VAL 43 31.825 16.242 -17.213 303 1HG2 VAL 43 1HG2 VAL 43 32.646 19.507 -19.435 304 2HG2 VAL 43 2HG2 VAL 43 32.998 19.043 -17.770 305 3HG2 VAL 43 3HG2 VAL 43 33.891 18.304 -19.100 306 H THR 44 H THR 44 30.215 19.238 -19.508 307 HA THR 44 HA THR 44 31.005 21.395 -20.916 308 HB THR 44 HB THR 44 30.723 20.435 -23.051 309 HG1 THR 44 HG1 THR 44 28.223 21.719 -22.817 310 1HG2 THR 44 1HG2 THR 44 28.814 18.822 -21.810 311 2HG2 THR 44 2HG2 THR 44 27.913 19.740 -23.017 312 3HG2 THR 44 3HG2 THR 44 29.304 18.770 -23.504 313 H GLN 45 H GLN 45 29.000 22.933 -21.505 314 HA GLN 45 HA GLN 45 27.087 22.643 -19.281 315 1HB GLN 45 1HB GLN 45 27.898 25.276 -20.498 316 2HB GLN 45 2HB GLN 45 27.102 24.986 -18.957 317 1HG GLN 45 1HG GLN 45 29.406 23.631 -18.585 318 2HG GLN 45 2HG GLN 45 29.951 24.916 -19.660 319 2HE2 GLN 45 1HE2 GLN 45 31.084 26.137 -18.260 320 1HE2 GLN 45 2HE2 GLN 45 30.412 26.909 -16.868 321 H THR 46 H THR 46 24.974 23.647 -19.618 322 HA THR 46 HA THR 46 24.190 24.094 -22.390 323 HB THR 46 HB THR 46 22.465 22.470 -22.449 324 HG1 THR 46 HG1 THR 46 23.040 22.101 -19.688 325 1HG2 THR 46 1HG2 THR 46 24.913 21.200 -21.217 326 2HG2 THR 46 2HG2 THR 46 23.662 20.343 -22.116 327 3HG2 THR 46 3HG2 THR 46 24.665 21.544 -22.929 328 H TYR 47 H TYR 47 22.142 25.140 -22.610 329 HA TYR 47 HA TYR 47 20.830 26.034 -20.168 330 1HB TYR 47 1HB TYR 47 20.885 28.427 -21.112 331 2HB TYR 47 2HB TYR 47 22.340 27.817 -20.332 332 HD1 TYR 47 HD1 TYR 47 21.215 26.956 -23.761 333 HD2 TYR 47 HD2 TYR 47 23.946 29.193 -21.387 334 HE1 TYR 47 HE1 TYR 47 22.511 27.498 -25.776 335 HE2 TYR 47 HE2 TYR 47 25.251 29.742 -23.398 336 HH TYR 47 HH TYR 47 24.719 29.912 -25.948 337 H GLY 48 H GLY 48 18.927 27.548 -20.800 338 1HA GLY 48 1HA GLY 48 16.780 27.351 -21.675 339 2HA GLY 48 2HA GLY 48 17.654 27.824 -23.124 340 H GLY 49 H GLY 49 16.414 26.690 -24.572 341 1HA GLY 49 1HA GLY 49 15.958 24.862 -25.898 342 2HA GLY 49 2HA GLY 49 17.059 23.927 -24.897 343 H ASN 50 H ASN 50 15.488 22.199 -25.160 344 HA ASN 50 HA ASN 50 12.892 22.487 -23.947 345 1HB ASN 50 1HB ASN 50 13.933 20.780 -25.826 346 2HB ASN 50 2HB ASN 50 13.872 19.754 -24.396 347 2HD2 ASN 50 1HD2 ASN 50 11.905 22.023 -26.266 348 1HD2 ASN 50 2HD2 ASN 50 10.408 21.195 -26.023 349 H SER 51 H SER 51 16.019 21.864 -22.828 350 HA SER 51 HA SER 51 14.991 20.604 -20.375 351 1HB SER 51 1HB SER 51 17.442 20.228 -21.948 352 2HB SER 51 2HB SER 51 17.724 20.377 -20.214 353 HG SER 51 HG SER 51 16.004 18.741 -20.014 354 H ASN 52 H ASN 52 16.102 23.501 -21.637 355 HA ASN 52 HA ASN 52 16.548 25.523 -20.703 356 1HB ASN 52 1HB ASN 52 14.744 25.113 -19.154 357 2HB ASN 52 2HB ASN 52 15.773 24.085 -18.163 358 2HD2 ASN 52 1HD2 ASN 52 16.880 24.981 -16.552 359 1HD2 ASN 52 2HD2 ASN 52 17.037 26.679 -16.273 360 H GLY 53 H GLY 53 18.417 22.935 -20.497 361 1HA GLY 53 1HA GLY 53 20.825 23.345 -20.453 362 2HA GLY 53 2HA GLY 53 20.550 24.400 -19.075 363 H GLU 54 H GLU 54 19.593 21.062 -19.897 364 HA GLU 54 HA GLU 54 20.418 20.253 -17.201 365 1HB GLU 54 1HB GLU 54 18.576 19.021 -19.236 366 2HB GLU 54 2HB GLU 54 19.170 18.106 -17.861 367 1HG GLU 54 1HG GLU 54 18.207 20.508 -16.807 368 2HG GLU 54 2HG GLU 54 17.019 19.992 -18.003 369 HA PRO 55 HA PRO 55 23.819 17.758 -18.431 370 1HB PRO 55 2HB PRO 55 24.074 16.143 -16.844 371 2HB PRO 55 1HB PRO 55 22.603 15.302 -17.342 372 1HG PRO 55 1HG PRO 55 21.850 16.177 -15.339 373 2HG PRO 55 2HG PRO 55 22.938 17.575 -15.435 374 1HD PRO 55 2HD PRO 55 20.965 18.606 -16.066 375 2HD PRO 55 1HD PRO 55 20.307 17.123 -16.788 376 H CYS 56 H CYS 56 24.353 16.960 -20.364 377 HA CYS 56 HA CYS 56 22.379 15.912 -22.136 378 1HB CYS 56 1HB CYS 56 25.362 15.797 -22.555 379 2HB CYS 56 2HB CYS 56 24.094 15.854 -23.775 380 H VAL 57 H VAL 57 23.119 13.846 -23.475 381 HA VAL 57 HA VAL 57 23.928 11.742 -21.583 382 HB VAL 57 HB VAL 57 21.417 11.867 -21.858 383 1HG1 VAL 57 1HG1 VAL 57 22.154 11.858 -24.602 384 2HG1 VAL 57 2HG1 VAL 57 21.210 10.406 -24.270 385 3HG1 VAL 57 3HG1 VAL 57 20.548 11.996 -23.889 386 1HG2 VAL 57 1HG2 VAL 57 23.117 9.701 -21.629 387 2HG2 VAL 57 2HG2 VAL 57 21.380 9.699 -21.323 388 3HG2 VAL 57 3HG2 VAL 57 21.999 9.217 -22.903 389 H LEU 58 H LEU 58 25.877 12.473 -23.080 390 HA LEU 58 HA LEU 58 25.844 10.817 -25.510 391 1HB LEU 58 1HB LEU 58 28.156 12.248 -25.688 392 2HB LEU 58 2HB LEU 58 26.636 12.690 -26.439 393 HG LEU 58 HG LEU 58 27.680 14.585 -25.296 394 1HD1 LEU 58 1HD1 LEU 58 25.051 13.833 -25.202 395 2HD1 LEU 58 2HD1 LEU 58 25.406 14.208 -23.517 396 3HD1 LEU 58 3HD1 LEU 58 25.684 15.419 -24.767 397 1HD2 LEU 58 1HD2 LEU 58 28.266 12.700 -23.318 398 2HD2 LEU 58 2HD2 LEU 58 28.607 14.430 -23.284 399 3HD2 LEU 58 3HD2 LEU 58 27.111 13.812 -22.585 400 HA PRO 59 HA PRO 59 28.031 10.818 -26.884 401 1HB PRO 59 1HB PRO 59 28.867 8.516 -28.044 402 2HB PRO 59 2HB PRO 59 29.981 9.699 -27.351 403 1HG PRO 59 1HG PRO 59 28.964 7.142 -26.178 404 2HG PRO 59 2HG PRO 59 30.604 7.815 -26.145 405 1HD PRO 59 1HD PRO 59 28.888 7.993 -24.045 406 2HD PRO 59 2HD PRO 59 30.127 9.218 -24.385 407 H PHE 60 H PHE 60 26.133 10.880 -27.886 408 HA PHE 60 HA PHE 60 24.361 8.537 -27.722 409 1HB PHE 60 1HB PHE 60 22.568 10.219 -28.365 410 2HB PHE 60 2HB PHE 60 23.281 10.428 -26.769 411 HD1 PHE 60 HD1 PHE 60 23.866 11.556 -30.278 412 HD2 PHE 60 HD2 PHE 60 23.829 12.561 -26.144 413 HE1 PHE 60 HE1 PHE 60 24.427 13.884 -30.844 414 HE2 PHE 60 HE2 PHE 60 24.389 14.891 -26.701 415 HZ PHE 60 HZ PHE 60 24.689 15.552 -29.052 416 H THR 61 H THR 61 22.696 8.743 -29.732 417 HA THR 61 HA THR 61 24.359 8.941 -32.157 418 HB THR 61 HB THR 61 22.139 7.106 -32.471 419 HG1 THR 61 HG1 THR 61 22.328 6.332 -30.467 420 1HG2 THR 61 1HG2 THR 61 25.131 6.958 -32.784 421 2HG2 THR 61 2HG2 THR 61 24.076 5.582 -33.110 422 3HG2 THR 61 3HG2 THR 61 23.905 7.069 -34.047 423 H TYR 62 H TYR 62 23.604 10.240 -33.699 424 HA TYR 62 HA TYR 62 20.727 10.796 -33.816 425 1HB TYR 62 1HB TYR 62 21.615 12.656 -32.574 426 2HB TYR 62 2HB TYR 62 22.919 12.874 -33.738 427 HD1 TYR 62 HD1 TYR 62 19.182 12.794 -33.651 428 HD2 TYR 62 HD2 TYR 62 22.685 14.549 -35.306 429 HE1 TYR 62 HE1 TYR 62 17.786 14.384 -34.904 430 HE2 TYR 62 HE2 TYR 62 21.300 16.145 -36.564 431 HH TYR 62 HH TYR 62 18.072 16.691 -35.913 432 H ASN 63 H ASN 63 19.955 10.605 -35.805 433 HA ASN 63 HA ASN 63 19.804 10.520 -38.070 434 1HB ASN 63 1HB ASN 63 21.718 12.574 -37.564 435 2HB ASN 63 2HB ASN 63 22.255 11.650 -38.964 436 2HD2 ASN 63 1HD2 ASN 63 19.455 13.298 -37.593 437 1HD2 ASN 63 2HD2 ASN 63 18.784 13.794 -39.105 438 H GLY 64 H GLY 64 21.844 8.813 -36.287 439 1HA GLY 64 1HA GLY 64 22.338 6.560 -37.100 440 2HA GLY 64 2HA GLY 64 22.825 7.290 -38.621 441 H ARG 65 H ARG 65 24.158 9.467 -36.886 442 HA ARG 65 HA ARG 65 26.662 7.990 -36.566 443 1HB ARG 65 1HB ARG 65 27.711 10.251 -36.503 444 2HB ARG 65 2HB ARG 65 26.852 9.907 -37.997 445 1HG ARG 65 1HG ARG 65 25.229 11.234 -35.958 446 2HG ARG 65 2HG ARG 65 26.601 12.180 -36.540 447 1HD ARG 65 1HD ARG 65 25.385 10.968 -38.788 448 2HD ARG 65 2HD ARG 65 24.102 11.682 -37.816 449 HE ARG 65 HE ARG 65 25.858 13.686 -37.918 450 1HH1 ARG 65 1HH1 ARG 65 24.626 11.586 -40.404 451 2HH1 ARG 65 2HH1 ARG 65 24.771 12.770 -41.661 452 1HH2 ARG 65 1HH2 ARG 65 26.052 15.259 -39.565 453 2HH2 ARG 65 2HH2 ARG 65 25.583 14.858 -41.184 454 H THR 66 H THR 66 28.049 9.505 -34.803 455 HA THR 66 HA THR 66 26.416 9.609 -32.368 456 HB THR 66 HB THR 66 28.958 8.022 -32.706 457 HG1 THR 66 HG1 THR 66 26.967 6.950 -33.173 458 1HG2 THR 66 1HG2 THR 66 27.744 9.237 -30.289 459 2HG2 THR 66 2HG2 THR 66 28.326 7.579 -30.149 460 3HG2 THR 66 3HG2 THR 66 29.430 8.863 -30.643 461 H PHE 67 H PHE 67 27.174 10.955 -30.739 462 HA PHE 67 HA PHE 67 29.573 12.543 -31.283 463 1HB PHE 67 1HB PHE 67 27.089 13.935 -30.344 464 2HB PHE 67 2HB PHE 67 28.500 14.607 -31.155 465 HD1 PHE 67 HD1 PHE 67 25.767 12.145 -31.807 466 HD2 PHE 67 HD2 PHE 67 28.268 15.227 -33.349 467 HE1 PHE 67 HE1 PHE 67 24.579 12.029 -33.959 468 HE2 PHE 67 HE2 PHE 67 27.084 15.116 -35.503 469 HZ PHE 67 HZ PHE 67 25.237 13.516 -35.809 470 H TYR 68 H TYR 68 30.777 12.855 -29.495 471 HA TYR 68 HA TYR 68 29.700 11.909 -26.957 472 1HB TYR 68 1HB TYR 68 32.538 12.708 -27.630 473 2HB TYR 68 2HB TYR 68 32.001 11.867 -26.184 474 HD1 TYR 68 HD1 TYR 68 31.876 11.451 -29.908 475 HD2 TYR 68 HD2 TYR 68 32.304 9.590 -26.109 476 HE1 TYR 68 HE1 TYR 68 32.285 9.297 -31.016 477 HE2 TYR 68 HE2 TYR 68 32.730 7.436 -27.207 478 HH TYR 68 HH TYR 68 32.975 6.364 -29.135 479 H SER 69 H SER 69 28.839 14.485 -28.022 480 HA SER 69 HA SER 69 28.789 16.025 -25.745 481 1HB SER 69 1HB SER 69 31.212 16.513 -27.416 482 2HB SER 69 2HB SER 69 30.415 17.903 -26.680 483 HG SER 69 HG SER 69 30.622 15.976 -24.853 484 H CYS 70 H CYS 70 28.534 18.542 -26.417 485 HA CYS 70 HA CYS 70 26.184 18.756 -27.828 486 1HB CYS 70 2HB CYS 70 26.477 21.110 -27.767 487 2HB CYS 70 1HB CYS 70 28.229 20.970 -27.739 488 H THR 71 H THR 71 25.724 19.800 -29.901 489 HA THR 71 HA THR 71 27.784 19.988 -31.886 490 HB THR 71 HB THR 71 27.445 17.511 -31.744 491 HG1 THR 71 HG1 THR 71 28.183 17.971 -33.705 492 1HG2 THR 71 1HG2 THR 71 24.673 18.349 -32.066 493 2HG2 THR 71 2HG2 THR 71 25.151 17.106 -33.223 494 3HG2 THR 71 3HG2 THR 71 25.328 16.815 -31.493 495 H THR 72 H THR 72 26.814 20.352 -34.105 496 HA THR 72 HA THR 72 24.155 21.600 -33.924 497 HB THR 72 HB THR 72 25.249 23.270 -35.679 498 HG1 THR 72 HG1 THR 72 27.422 22.368 -34.077 499 1HG2 THR 72 1HG2 THR 72 25.382 23.404 -32.677 500 2HG2 THR 72 2HG2 THR 72 25.831 24.768 -33.700 501 3HG2 THR 72 3HG2 THR 72 24.188 24.127 -33.753 502 H GLU 73 H GLU 73 23.924 19.278 -34.893 503 HA GLU 73 HA GLU 73 24.195 19.468 -37.823 504 1HB GLU 73 1HB GLU 73 24.314 17.065 -36.005 505 2HB GLU 73 2HB GLU 73 24.113 16.933 -37.747 506 1HG GLU 73 1HG GLU 73 26.414 18.395 -36.491 507 2HG GLU 73 2HG GLU 73 26.459 16.668 -36.849 508 H GLY 74 H GLY 74 21.991 20.006 -35.623 509 1HA GLY 74 1HA GLY 74 19.847 18.665 -37.150 510 2HA GLY 74 2HA GLY 74 19.774 18.864 -35.406 511 H ARG 75 H ARG 75 21.176 21.536 -36.936 512 HA ARG 75 HA ARG 75 18.587 22.926 -37.084 513 1HB ARG 75 1HB ARG 75 19.970 24.953 -36.188 514 2HB ARG 75 2HB ARG 75 19.321 23.769 -35.064 515 1HG ARG 75 1HG ARG 75 21.948 23.005 -35.980 516 2HG ARG 75 2HG ARG 75 21.956 24.621 -35.272 517 1HD ARG 75 1HD ARG 75 22.253 22.443 -33.797 518 2HD ARG 75 2HD ARG 75 21.403 23.867 -33.198 519 HE ARG 75 HE ARG 75 19.789 21.829 -34.504 520 1HH1 ARG 75 1HH1 ARG 75 20.941 23.221 -31.522 521 2HH1 ARG 75 2HH1 ARG 75 19.671 22.537 -30.565 522 1HH2 ARG 75 1HH2 ARG 75 18.116 20.924 -33.248 523 2HH2 ARG 75 2HH2 ARG 75 18.067 21.232 -31.543 524 H GLN 76 H GLN 76 19.135 25.301 -37.979 525 HA GLN 76 HA GLN 76 20.791 24.901 -40.383 526 1HB GLN 76 1HB GLN 76 18.486 26.814 -40.328 527 2HB GLN 76 2HB GLN 76 19.229 26.012 -41.704 528 1HG GLN 76 1HG GLN 76 18.079 24.110 -39.857 529 2HG GLN 76 2HG GLN 76 16.891 25.286 -40.415 530 2HE2 GLN 76 1HE2 GLN 76 19.318 22.979 -41.506 531 1HE2 GLN 76 2HE2 GLN 76 18.567 22.627 -43.022 532 H ASP 77 H ASP 77 20.799 26.414 -37.530 533 HA ASP 77 HA ASP 77 21.906 28.932 -38.559 534 1HB ASP 77 1HB ASP 77 20.206 28.321 -36.353 535 2HB ASP 77 2HB ASP 77 21.722 28.951 -35.719 536 H GLY 78 H GLY 78 22.542 27.174 -35.549 537 1HA GLY 78 1HA GLY 78 24.891 25.949 -35.931 538 2HA GLY 78 2HA GLY 78 25.386 27.632 -35.910 539 H HIS 79 H HIS 79 22.812 26.210 -33.960 540 HA HIS 79 HA HIS 79 24.259 27.074 -31.567 541 1HB HIS 79 1HB HIS 79 21.570 25.949 -31.203 542 2HB HIS 79 2HB HIS 79 22.257 27.450 -30.593 543 HD1 HIS 79 HD1 HIS 79 19.675 26.326 -32.721 544 HD2 HIS 79 HD2 HIS 79 22.437 29.424 -32.923 545 HE1 HIS 79 HE1 HIS 79 18.715 27.975 -34.357 546 HE2 HIS 79 HE2 HIS 79 20.354 29.888 -34.386 547 H LEU 80 H LEU 80 25.276 25.677 -30.297 548 HA LEU 80 HA LEU 80 25.381 22.911 -30.878 549 1HB LEU 80 1HB LEU 80 26.367 24.595 -28.589 550 2HB LEU 80 2HB LEU 80 26.546 22.853 -28.577 551 HG LEU 80 HG LEU 80 27.871 22.969 -30.644 552 1HD1 LEU 80 1HD1 LEU 80 27.321 25.907 -30.369 553 2HD1 LEU 80 2HD1 LEU 80 28.701 25.291 -31.279 554 3HD1 LEU 80 3HD1 LEU 80 27.061 24.861 -31.765 555 1HD2 LEU 80 1HD2 LEU 80 28.811 24.713 -28.374 556 2HD2 LEU 80 2HD2 LEU 80 29.066 22.979 -28.564 557 3HD2 LEU 80 3HD2 LEU 80 29.851 24.111 -29.665 558 H TRP 81 H TRP 81 24.406 21.170 -29.933 559 HA TRP 81 HA TRP 81 22.628 21.601 -27.658 560 1HB TRP 81 1HB TRP 81 20.753 20.461 -28.798 561 2HB TRP 81 2HB TRP 81 21.185 21.977 -29.583 562 HD1 TRP 81 HD1 TRP 81 22.176 21.853 -32.036 563 HE1 TRP 81 HE1 TRP 81 22.266 19.971 -33.787 564 HE3 TRP 81 HE3 TRP 81 21.006 17.888 -29.029 565 HZ2 TRP 81 HZ2 TRP 81 21.891 17.175 -33.884 566 HZ3 TRP 81 HZ3 TRP 81 20.893 15.643 -30.030 567 HH2 TRP 81 HH2 TRP 81 21.325 15.296 -32.407 568 H CYS 82 H CYS 82 21.579 19.429 -27.047 569 HA CYS 82 HA CYS 82 23.034 17.049 -27.715 570 1HB CYS 82 1HB CYS 82 23.896 16.611 -25.460 571 2HB CYS 82 2HB CYS 82 24.608 18.072 -26.137 572 H SER 83 H SER 83 22.216 15.155 -26.407 573 HA SER 83 HA SER 83 19.352 15.547 -25.922 574 1HB SER 83 1HB SER 83 19.041 13.251 -26.418 575 2HB SER 83 2HB SER 83 20.223 13.824 -27.594 576 HG SER 83 HG SER 83 21.674 12.559 -26.750 577 H THR 84 H THR 84 18.494 15.389 -23.959 578 HA THR 84 HA THR 84 20.169 15.074 -21.677 579 HB THR 84 HB THR 84 18.350 15.690 -20.367 580 HG1 THR 84 HG1 THR 84 16.407 14.892 -20.668 581 1HG2 THR 84 1HG2 THR 84 18.640 16.996 -22.910 582 2HG2 THR 84 2HG2 THR 84 16.968 17.109 -22.361 583 3HG2 THR 84 3HG2 THR 84 18.276 17.695 -21.333 584 H THR 85 H THR 85 18.648 12.800 -23.639 585 HA THR 85 HA THR 85 19.187 10.725 -21.683 586 HB THR 85 HB THR 85 16.673 11.558 -21.592 587 HG1 THR 85 HG1 THR 85 16.509 9.790 -20.442 588 1HG2 THR 85 1HG2 THR 85 16.675 10.791 -24.198 589 2HG2 THR 85 2HG2 THR 85 16.114 9.312 -23.416 590 3HG2 THR 85 3HG2 THR 85 15.238 10.824 -23.176 591 H SER 86 H SER 86 18.879 8.508 -22.656 592 HA SER 86 HA SER 86 20.400 8.243 -24.962 593 1HB SER 86 1HB SER 86 20.391 6.248 -23.864 594 2HB SER 86 2HB SER 86 18.727 6.440 -23.314 595 HG SER 86 HG SER 86 18.014 5.496 -25.087 596 H ASN 87 H ASN 87 16.949 7.370 -24.746 597 HA ASN 87 HA ASN 87 16.584 7.385 -27.552 598 1HB ASN 87 1HB ASN 87 15.078 6.637 -25.283 599 2HB ASN 87 2HB ASN 87 14.104 7.813 -26.160 600 2HD2 ASN 87 1HD2 ASN 87 12.623 6.157 -26.643 601 1HD2 ASN 87 2HD2 ASN 87 12.944 5.008 -27.892 602 H TYR 88 H TYR 88 17.384 9.410 -28.255 603 HA TYR 88 HA TYR 88 16.085 11.834 -27.355 604 1HB TYR 88 1HB TYR 88 18.328 12.226 -27.835 605 2HB TYR 88 2HB TYR 88 18.308 11.195 -29.262 606 HD1 TYR 88 HD1 TYR 88 17.138 14.463 -27.949 607 HD2 TYR 88 HD2 TYR 88 17.946 12.107 -31.398 608 HE1 TYR 88 HE1 TYR 88 16.832 16.447 -29.368 609 HE2 TYR 88 HE2 TYR 88 17.645 14.085 -32.827 610 HH TYR 88 HH TYR 88 16.162 16.497 -32.343 611 H GLU 89 H GLU 89 16.022 9.690 -30.132 612 HA GLU 89 HA GLU 89 14.397 11.375 -31.761 613 1HB GLU 89 2HB GLU 89 14.314 9.579 -33.287 614 2HB GLU 89 1HB GLU 89 14.567 8.383 -32.023 615 1HG GLU 89 1HG GLU 89 16.482 9.652 -33.691 616 2HG GLU 89 2HG GLU 89 16.803 10.114 -32.020 617 H GLN 90 H GLN 90 13.721 9.760 -28.954 618 HA GLN 90 HA GLN 90 10.919 9.274 -29.690 619 1HB GLN 90 1HB GLN 90 11.666 7.292 -28.752 620 2HB GLN 90 2HB GLN 90 12.730 8.110 -27.616 621 1HG GLN 90 1HG GLN 90 10.967 7.159 -26.364 622 2HG GLN 90 2HG GLN 90 10.688 8.900 -26.409 623 2HE2 GLN 90 1HE2 GLN 90 9.133 6.100 -26.472 624 1HE2 GLN 90 2HE2 GLN 90 7.778 6.497 -27.467 625 H ASP 91 H ASP 91 12.901 10.611 -27.065 626 HA ASP 91 HA ASP 91 10.647 11.973 -25.894 627 1HB ASP 91 1HB ASP 91 13.567 11.761 -25.258 628 2HB ASP 91 2HB ASP 91 12.611 13.042 -24.518 629 H GLN 92 H GLN 92 13.453 12.825 -27.842 630 HA GLN 92 HA GLN 92 13.850 14.607 -29.203 631 1HB GLN 92 1HB GLN 92 10.973 14.785 -28.727 632 2HB GLN 92 2HB GLN 92 11.715 16.351 -29.024 633 1HG GLN 92 1HG GLN 92 11.767 13.935 -30.812 634 2HG GLN 92 2HG GLN 92 10.949 15.470 -31.100 635 2HE2 GLN 92 1HE2 GLN 92 12.607 14.495 -32.995 636 1HE2 GLN 92 2HE2 GLN 92 14.053 15.437 -33.077 637 H LYS 93 H LYS 93 13.541 14.701 -25.958 638 HA LYS 93 HA LYS 93 13.814 17.530 -25.528 639 1HB LYS 93 1HB LYS 93 13.645 17.080 -23.300 640 2HB LYS 93 2HB LYS 93 12.932 15.601 -23.922 641 1HG LYS 93 1HG LYS 93 15.835 15.855 -23.179 642 2HG LYS 93 2HG LYS 93 14.582 15.307 -22.068 643 1HD LYS 93 1HD LYS 93 14.532 13.267 -22.973 644 2HD LYS 93 2HD LYS 93 14.484 13.912 -24.612 645 1HE LYS 93 1HE LYS 93 17.075 14.348 -23.506 646 2HE LYS 93 2HE LYS 93 16.636 12.659 -23.295 647 1HZ LYS 93 1HZ LYS 93 15.887 13.065 -25.818 648 2HZ LYS 93 2HZ LYS 93 17.190 14.140 -25.724 649 3HZ LYS 93 3HZ LYS 93 17.421 12.500 -25.380 650 H TYR 94 H TYR 94 15.577 18.605 -26.011 651 HA TYR 94 HA TYR 94 18.191 17.303 -25.625 652 1HB TYR 94 1HB TYR 94 19.040 18.471 -27.559 653 2HB TYR 94 2HB TYR 94 17.574 17.617 -28.025 654 HD1 TYR 94 HD1 TYR 94 18.844 20.962 -27.020 655 HD2 TYR 94 HD2 TYR 94 15.798 18.772 -29.024 656 HE1 TYR 94 HE1 TYR 94 17.904 23.067 -27.875 657 HE2 TYR 94 HE2 TYR 94 14.848 20.870 -29.886 658 HH TYR 94 HH TYR 94 16.105 24.006 -28.881 659 H SER 95 H SER 95 19.979 19.099 -25.663 660 HA SER 95 HA SER 95 19.112 21.465 -24.169 661 1HB SER 95 1HB SER 95 21.578 20.522 -23.046 662 2HB SER 95 2HB SER 95 20.034 20.799 -22.240 663 HG SER 95 HG SER 95 20.683 18.447 -23.689 664 H PHE 96 H PHE 96 20.193 23.283 -24.702 665 HA PHE 96 HA PHE 96 21.945 23.237 -26.948 666 1HB PHE 96 1HB PHE 96 20.931 25.397 -25.124 667 2HB PHE 96 2HB PHE 96 22.186 25.741 -26.307 668 HD1 PHE 96 HD1 PHE 96 21.392 24.245 -28.637 669 HD2 PHE 96 HD2 PHE 96 18.986 26.378 -25.852 670 HE1 PHE 96 HE1 PHE 96 19.675 24.560 -30.370 671 HE2 PHE 96 HE2 PHE 96 17.261 26.696 -27.580 672 HZ PHE 96 HZ PHE 96 17.606 25.786 -29.842 673 H CYS 97 H CYS 97 23.976 24.770 -26.769 674 HA CYS 97 HA CYS 97 25.526 24.049 -24.379 675 1HB CYS 97 1HB CYS 97 25.899 22.762 -26.749 676 2HB CYS 97 2HB CYS 97 27.039 24.094 -26.913 677 H THR 98 H THR 98 27.016 25.554 -23.696 678 HA THR 98 HA THR 98 26.578 28.244 -24.548 679 HB THR 98 HB THR 98 28.266 28.819 -22.837 680 HG1 THR 98 HG1 THR 98 28.867 26.871 -21.495 681 1HG2 THR 98 1HG2 THR 98 25.869 27.178 -22.294 682 2HG2 THR 98 2HG2 THR 98 26.974 27.427 -20.942 683 3HG2 THR 98 3HG2 THR 98 26.264 28.814 -21.768 684 H ASP 99 H ASP 99 29.823 27.164 -23.831 685 HA ASP 99 HA ASP 99 31.760 27.152 -25.033 686 1HB ASP 99 1HB ASP 99 30.016 27.501 -27.481 687 2HB ASP 99 2HB ASP 99 31.715 27.043 -27.469 688 H HIS 100 H HIS 100 29.489 29.492 -26.488 689 HA HIS 100 HA HIS 100 29.593 31.784 -26.548 690 1HB HIS 100 1HB HIS 100 30.884 31.536 -24.351 691 2HB HIS 100 2HB HIS 100 32.345 31.670 -25.323 692 HD1 HIS 100 HD1 HIS 100 29.561 33.662 -23.900 693 HD2 HIS 100 HD2 HIS 100 32.772 34.233 -26.475 694 HE1 HIS 100 HE1 HIS 100 29.808 36.155 -24.125 695 HE2 HIS 100 HE2 HIS 100 31.706 36.476 -25.750 696 H THR 101 H THR 101 32.766 30.303 -27.149 697 HA THR 101 HA THR 101 32.695 31.109 -29.911 698 HB THR 101 HB THR 101 33.494 33.198 -29.156 699 HG1 THR 101 HG1 THR 101 34.774 32.233 -30.846 700 1HG2 THR 101 1HG2 THR 101 34.178 32.054 -26.859 701 2HG2 THR 101 2HG2 THR 101 35.776 32.086 -27.604 702 3HG2 THR 101 3HG2 THR 101 34.878 33.587 -27.377 No H/Q in entry = 702 Start of MODEL 5 1 H1 TYR 1 H1 TYR 1 49.408 0.254 -42.977 2 H2 TYR 1 H2 TYR 1 50.955 0.515 -42.345 3 H3 TYR 1 H3 TYR 1 49.610 0.518 -41.319 4 HA TYR 1 HA TYR 1 50.357 2.766 -41.721 5 1HB TYR 1 1HB TYR 1 49.960 3.559 -44.159 6 2HB TYR 1 2HB TYR 1 51.428 2.657 -43.798 7 HD1 TYR 1 HD1 TYR 1 51.620 0.284 -44.485 8 HD2 TYR 1 HD2 TYR 1 48.294 2.677 -45.627 9 HE1 TYR 1 HE1 TYR 1 51.051 -1.351 -46.232 10 HE2 TYR 1 HE2 TYR 1 47.714 1.048 -47.376 11 HH TYR 1 HH TYR 1 48.081 -1.329 -47.874 12 H GLY 2 H GLY 2 48.852 4.563 -42.076 13 1HA GLY 2 1HA GLY 2 46.773 5.512 -41.876 14 2HA GLY 2 2HA GLY 2 46.222 4.264 -42.984 15 H HIS 3 H HIS 3 47.670 3.408 -39.953 16 HA HIS 3 HA HIS 3 45.015 2.699 -38.896 17 1HB HIS 3 1HB HIS 3 47.511 1.107 -39.163 18 2HB HIS 3 2HB HIS 3 46.568 0.875 -37.699 19 HD1 HIS 3 HD1 HIS 3 46.907 -0.443 -40.975 20 HD2 HIS 3 HD2 HIS 3 43.680 0.323 -38.471 21 HE1 HIS 3 HE1 HIS 3 45.022 -1.854 -41.857 22 HE2 HIS 3 HE2 HIS 3 43.103 -1.433 -40.280 23 H CYS 4 H CYS 4 44.558 3.497 -36.926 24 HA CYS 4 HA CYS 4 46.774 4.708 -35.414 25 1HB CYS 4 1HB CYS 4 44.571 5.712 -34.198 26 2HB CYS 4 2HB CYS 4 45.383 6.484 -35.550 27 H VAL 5 H VAL 5 47.392 3.843 -33.559 28 HA VAL 5 HA VAL 5 45.512 2.096 -32.115 29 HB VAL 5 HB VAL 5 48.465 1.581 -32.501 30 1HG1 VAL 5 1HG1 VAL 5 46.850 0.843 -30.377 31 2HG1 VAL 5 2HG1 VAL 5 46.879 -0.585 -31.411 32 3HG1 VAL 5 3HG1 VAL 5 48.391 0.113 -30.828 33 1HG2 VAL 5 1HG2 VAL 5 47.155 1.095 -34.508 34 2HG2 VAL 5 2HG2 VAL 5 47.755 -0.387 -33.764 35 3HG2 VAL 5 3HG2 VAL 5 46.068 0.084 -33.557 36 H THR 6 H THR 6 45.541 2.224 -29.899 37 HA THR 6 HA THR 6 47.453 4.108 -28.688 38 HB THR 6 HB THR 6 45.237 5.201 -29.018 39 HG1 THR 6 HG1 THR 6 45.350 6.140 -27.047 40 1HG2 THR 6 1HG2 THR 6 44.100 2.862 -28.446 41 2HG2 THR 6 2HG2 THR 6 44.080 3.560 -26.826 42 3HG2 THR 6 3HG2 THR 6 43.279 4.396 -28.157 43 H ASP 7 H ASP 7 48.660 2.941 -27.339 44 HA ASP 7 HA ASP 7 49.161 1.751 -25.439 45 1HB ASP 7 1HB ASP 7 46.647 2.434 -24.857 46 2HB ASP 7 2HB ASP 7 46.393 0.708 -25.092 47 H SER 8 H SER 8 48.248 0.702 -28.330 48 HA SER 8 HA SER 8 48.549 -1.235 -29.485 49 1HB SER 8 1HB SER 8 50.608 -1.817 -28.701 50 2HB SER 8 2HB SER 8 50.122 -1.663 -27.013 51 HG SER 8 HG SER 8 50.569 -3.851 -27.773 52 H GLY 9 H GLY 9 46.291 -0.752 -27.399 53 1HA GLY 9 1HA GLY 9 45.395 -3.531 -27.078 54 2HA GLY 9 2HA GLY 9 44.724 -2.132 -26.251 55 H VAL 10 H VAL 10 44.615 -0.577 -28.772 56 HA VAL 10 HA VAL 10 42.339 -1.969 -30.029 57 HB VAL 10 HB VAL 10 42.604 1.022 -29.731 58 1HG1 VAL 10 1HG1 VAL 10 40.569 -0.821 -30.883 59 2HG1 VAL 10 2HG1 VAL 10 40.026 0.672 -30.116 60 3HG1 VAL 10 3HG1 VAL 10 41.147 0.736 -31.475 61 1HG2 VAL 10 1HG2 VAL 10 42.249 -0.572 -27.617 62 2HG2 VAL 10 2HG2 VAL 10 41.464 0.999 -27.770 63 3HG2 VAL 10 3HG2 VAL 10 40.579 -0.473 -28.174 64 H VAL 11 H VAL 11 41.874 -1.301 -32.260 65 HA VAL 11 HA VAL 11 44.259 -0.345 -33.698 66 HB VAL 11 HB VAL 11 42.547 -2.729 -34.393 67 1HG1 VAL 11 1HG1 VAL 11 44.287 -1.028 -36.107 68 2HG1 VAL 11 2HG1 VAL 11 44.268 -2.770 -36.382 69 3HG1 VAL 11 3HG1 VAL 11 42.771 -1.844 -36.493 70 1HG2 VAL 11 1HG2 VAL 11 45.211 -2.326 -33.273 71 2HG2 VAL 11 2HG2 VAL 11 44.176 -3.754 -33.252 72 3HG2 VAL 11 3HG2 VAL 11 45.188 -3.420 -34.657 73 H TYR 12 H TYR 12 43.330 1.696 -33.939 74 HA TYR 12 HA TYR 12 40.757 1.952 -35.250 75 1HB TYR 12 1HB TYR 12 42.778 3.997 -34.318 76 2HB TYR 12 2HB TYR 12 41.249 4.411 -35.084 77 HD1 TYR 12 HD1 TYR 12 39.104 3.629 -33.934 78 HD2 TYR 12 HD2 TYR 12 42.904 3.626 -32.025 79 HE1 TYR 12 HE1 TYR 12 37.993 3.538 -31.741 80 HE2 TYR 12 HE2 TYR 12 41.806 3.533 -29.825 81 HH TYR 12 HH TYR 12 38.363 3.046 -29.508 82 H SER 13 H SER 13 40.998 4.020 -36.949 83 HA SER 13 HA SER 13 43.097 3.304 -38.868 84 1HB SER 13 1HB SER 13 40.141 3.194 -39.302 85 2HB SER 13 2HB SER 13 41.185 3.660 -40.644 86 HG SER 13 HG SER 13 40.680 1.324 -40.323 87 H VAL 14 H VAL 14 43.658 4.932 -40.345 88 HA VAL 14 HA VAL 14 43.950 7.462 -39.451 89 HB VAL 14 HB VAL 14 45.132 6.891 -41.401 90 1HG1 VAL 14 1HG1 VAL 14 43.180 5.311 -42.117 91 2HG1 VAL 14 2HG1 VAL 14 42.694 6.687 -43.107 92 3HG1 VAL 14 3HG1 VAL 14 44.286 5.962 -43.327 93 1HG2 VAL 14 1HG2 VAL 14 43.795 9.254 -41.243 94 2HG2 VAL 14 2HG2 VAL 14 45.022 8.875 -42.452 95 3HG2 VAL 14 3HG2 VAL 14 43.312 8.688 -42.842 96 H GLY 15 H GLY 15 42.115 8.214 -38.370 97 1HA GLY 15 1HA GLY 15 40.456 9.892 -38.454 98 2HA GLY 15 2HA GLY 15 40.164 9.482 -40.134 99 H MET 16 H MET 16 40.178 7.481 -37.198 100 HA MET 16 HA MET 16 37.500 6.538 -37.949 101 1HB MET 16 1HB MET 16 39.247 4.815 -37.717 102 2HB MET 16 2HB MET 16 39.510 5.311 -36.051 103 1HG MET 16 1HG MET 16 37.992 3.833 -35.434 104 2HG MET 16 2HG MET 16 36.772 4.807 -36.252 105 1HE MET 16 1HE MET 16 39.102 2.097 -36.092 106 2HE MET 16 2HE MET 16 38.046 0.807 -36.665 107 3HE MET 16 3HE MET 16 39.290 1.464 -37.728 108 H GLN 17 H GLN 17 39.256 8.286 -35.556 109 HA GLN 17 HA GLN 17 38.667 9.313 -33.614 110 1HB GLN 17 1HB GLN 17 36.294 9.437 -35.349 111 2HB GLN 17 2HB GLN 17 35.962 9.679 -33.638 112 1HG GLN 17 1HG GLN 17 38.198 11.244 -34.155 113 2HG GLN 17 2HG GLN 17 37.156 11.467 -35.559 114 2HE2 GLN 17 1HE2 GLN 17 34.710 11.572 -34.746 115 1HE2 GLN 17 2HE2 GLN 17 34.447 12.771 -33.531 116 H TRP 18 H TRP 18 37.598 9.052 -31.543 117 HA TRP 18 HA TRP 18 35.833 6.995 -30.906 118 1HB TRP 18 1HB TRP 18 37.179 5.220 -30.115 119 2HB TRP 18 2HB TRP 18 37.833 5.628 -31.698 120 HD1 TRP 18 HD1 TRP 18 38.627 6.086 -27.952 121 HE1 TRP 18 HE1 TRP 18 41.159 6.430 -27.705 122 HE3 TRP 18 HE3 TRP 18 39.916 6.291 -32.903 123 HZ2 TRP 18 HZ2 TRP 18 43.411 6.756 -29.379 124 HZ3 TRP 18 HZ3 TRP 18 42.280 6.621 -33.489 125 HH2 TRP 18 HH2 TRP 18 43.990 6.846 -31.762 126 H LEU 19 H LEU 19 36.172 6.326 -28.455 127 HA LEU 19 HA LEU 19 37.016 8.725 -26.972 128 1HB LEU 19 1HB LEU 19 34.501 8.422 -27.264 129 2HB LEU 19 2HB LEU 19 34.650 7.021 -26.223 130 HG LEU 19 HG LEU 19 35.832 8.812 -24.634 131 1HD1 LEU 19 1HD1 LEU 19 35.438 10.566 -26.446 132 2HD1 LEU 19 2HD1 LEU 19 33.740 10.495 -25.976 133 3HD1 LEU 19 3HD1 LEU 19 34.962 10.977 -24.798 134 1HD2 LEU 19 1HD2 LEU 19 33.770 7.349 -24.292 135 2HD2 LEU 19 2HD2 LEU 19 33.851 8.858 -23.382 136 3HD2 LEU 19 3HD2 LEU 19 32.836 8.749 -24.821 137 H LYS 20 H LYS 20 37.943 8.395 -24.961 138 HA LYS 20 HA LYS 20 38.448 5.588 -24.227 139 1HB LYS 20 1HB LYS 20 40.704 6.017 -23.781 140 2HB LYS 20 2HB LYS 20 40.404 6.879 -25.286 141 1HG LYS 20 1HG LYS 20 40.105 8.959 -23.985 142 2HG LYS 20 2HG LYS 20 40.536 8.066 -22.526 143 1HD LYS 20 1HD LYS 20 42.508 7.559 -24.517 144 2HD LYS 20 2HD LYS 20 42.256 9.303 -24.408 145 1HE LYS 20 1HE LYS 20 43.232 9.423 -22.401 146 2HE LYS 20 2HE LYS 20 42.360 8.011 -21.805 147 1HZ LYS 20 1HZ LYS 20 44.274 7.160 -23.668 148 2HZ LYS 20 2HZ LYS 20 45.042 8.187 -22.563 149 3HZ LYS 20 3HZ LYS 20 44.202 6.826 -22.012 150 H THR 21 H THR 21 38.434 5.089 -22.069 151 HA THR 21 HA THR 21 37.848 7.263 -20.179 152 HB THR 21 HB THR 21 36.278 4.714 -20.534 153 HG1 THR 21 HG1 THR 21 34.626 6.098 -20.931 154 1HG2 THR 21 1HG2 THR 21 36.796 6.256 -18.093 155 2HG2 THR 21 2HG2 THR 21 35.086 5.995 -18.439 156 3HG2 THR 21 3HG2 THR 21 36.177 4.617 -18.290 157 H GLN 22 H GLN 22 39.195 4.095 -20.767 158 HA GLN 22 HA GLN 22 39.885 3.605 -18.024 159 1HB GLN 22 2HB GLN 22 40.955 1.614 -18.823 160 2HB GLN 22 1HB GLN 22 40.994 2.229 -20.469 161 1HG GLN 22 1HG GLN 22 38.538 1.466 -18.907 162 2HG GLN 22 2HG GLN 22 38.537 2.156 -20.530 163 2HE2 GLN 22 1HE2 GLN 22 37.330 -0.240 -20.043 164 1HE2 GLN 22 2HE2 GLN 22 38.225 -1.513 -20.793 165 H GLY 23 H GLY 23 41.000 5.877 -20.002 166 1HA GLY 23 1HA GLY 23 43.850 5.484 -19.661 167 2HA GLY 23 2HA GLY 23 43.066 6.878 -20.391 168 H ASN 24 H ASN 24 41.279 7.207 -18.057 169 HA ASN 24 HA ASN 24 42.784 7.610 -15.710 170 1HB ASN 24 1HB ASN 24 43.151 9.613 -17.710 171 2HB ASN 24 2HB ASN 24 42.233 10.322 -16.386 172 2HD2 ASN 24 1HD2 ASN 24 43.337 8.731 -14.315 173 1HD2 ASN 24 2HD2 ASN 24 44.973 9.238 -14.083 174 H LYS 25 H LYS 25 40.378 9.651 -17.368 175 HA LYS 25 HA LYS 25 38.328 8.724 -15.500 176 1HB LYS 25 2HB LYS 25 37.845 10.762 -14.579 177 2HB LYS 25 1HB LYS 25 38.383 11.652 -15.994 178 1HG LYS 25 1HG LYS 25 39.819 10.972 -13.560 179 2HG LYS 25 2HG LYS 25 40.724 10.587 -15.023 180 1HD LYS 25 1HD LYS 25 41.043 12.748 -15.535 181 2HD LYS 25 2HD LYS 25 39.392 13.191 -15.098 182 1HE LYS 25 1HE LYS 25 40.017 13.159 -12.730 183 2HE LYS 25 2HE LYS 25 41.667 12.724 -13.173 184 1HZ LYS 25 1HZ LYS 25 41.727 14.841 -14.472 185 2HZ LYS 25 2HZ LYS 25 40.252 15.262 -13.759 186 3HZ LYS 25 3HZ LYS 25 41.626 15.044 -12.796 187 H GLN 26 H GLN 26 38.823 11.173 -18.038 188 HA GLN 26 HA GLN 26 36.997 9.859 -19.823 189 1HB GLN 26 1HB GLN 26 35.982 11.837 -18.023 190 2HB GLN 26 2HB GLN 26 35.936 12.489 -19.655 191 1HG GLN 26 1HG GLN 26 33.984 11.438 -19.827 192 2HG GLN 26 2HG GLN 26 34.947 9.974 -20.023 193 2HE2 GLN 26 1HE2 GLN 26 33.800 12.039 -17.367 194 1HE2 GLN 26 2HE2 GLN 26 33.273 10.739 -16.359 195 H MET 27 H MET 27 37.644 10.240 -21.849 196 HA MET 27 HA MET 27 38.692 12.779 -22.706 197 1HB MET 27 1HB MET 27 40.511 10.938 -21.590 198 2HB MET 27 2HB MET 27 40.752 10.864 -23.330 199 1HG MET 27 1HG MET 27 40.834 13.431 -23.207 200 2HG MET 27 2HG MET 27 41.081 13.184 -21.478 201 1HE MET 27 1HE MET 27 43.062 13.173 -20.484 202 2HE MET 27 2HE MET 27 44.669 12.935 -21.171 203 3HE MET 27 3HE MET 27 43.737 14.374 -21.586 204 H LEU 28 H LEU 28 38.530 13.011 -24.877 205 HA LEU 28 HA LEU 28 37.579 10.684 -26.404 206 1HB LEU 28 1HB LEU 28 36.153 12.745 -26.283 207 2HB LEU 28 2HB LEU 28 37.419 13.612 -27.132 208 HG LEU 28 HG LEU 28 36.613 11.199 -28.544 209 1HD1 LEU 28 1HD1 LEU 28 34.475 11.878 -27.370 210 2HD1 LEU 28 2HD1 LEU 28 34.530 13.353 -28.335 211 3HD1 LEU 28 3HD1 LEU 28 34.410 11.784 -29.130 212 1HD2 LEU 28 1HD2 LEU 28 37.477 13.897 -29.051 213 2HD2 LEU 28 2HD2 LEU 28 37.523 12.487 -30.109 214 3HD2 LEU 28 3HD2 LEU 28 36.076 13.494 -30.043 215 H CYS 29 H CYS 29 39.010 9.734 -27.716 216 HA CYS 29 HA CYS 29 41.368 11.274 -28.547 217 1HB CYS 29 1HB CYS 29 40.873 8.426 -27.911 218 2HB CYS 29 2HB CYS 29 42.048 8.757 -29.179 219 H THR 30 H THR 30 42.222 11.008 -30.675 220 HA THR 30 HA THR 30 40.564 9.841 -32.739 221 HB THR 30 HB THR 30 41.006 12.832 -32.641 222 HG1 THR 30 HG1 THR 30 38.754 12.900 -32.576 223 1HG2 THR 30 1HG2 THR 30 40.228 10.995 -34.869 224 2HG2 THR 30 2HG2 THR 30 39.562 12.627 -34.810 225 3HG2 THR 30 3HG2 THR 30 41.308 12.388 -34.891 226 H CYS 31 H CYS 31 41.654 9.606 -34.726 227 HA CYS 31 HA CYS 31 44.526 10.237 -34.591 228 1HB CYS 31 1HB CYS 31 44.743 8.317 -36.264 229 2HB CYS 31 2HB CYS 31 44.378 7.891 -34.597 230 H LEU 32 H LEU 32 44.939 11.945 -35.774 231 HA LEU 32 HA LEU 32 43.324 12.675 -38.039 232 1HB LEU 32 1HB LEU 32 45.425 14.379 -38.169 233 2HB LEU 32 2HB LEU 32 43.996 14.639 -37.187 234 HG LEU 32 HG LEU 32 46.312 13.169 -36.004 235 1HD1 LEU 32 1HD1 LEU 32 46.775 15.567 -37.196 236 2HD1 LEU 32 2HD1 LEU 32 46.322 16.061 -35.564 237 3HD1 LEU 32 3HD1 LEU 32 47.661 14.939 -35.807 238 1HD2 LEU 32 1HD2 LEU 32 43.875 13.789 -35.045 239 2HD2 LEU 32 2HD2 LEU 32 45.309 13.617 -34.032 240 3HD2 LEU 32 3HD2 LEU 32 44.776 15.219 -34.543 241 H GLY 33 H GLY 33 46.803 13.033 -38.205 242 1HA GLY 33 1HA GLY 33 46.932 10.999 -40.318 243 2HA GLY 33 2HA GLY 33 47.405 12.644 -40.705 244 H ASN 34 H ASN 34 48.720 13.282 -38.295 245 HA ASN 34 HA ASN 34 51.197 11.833 -38.738 246 1HB ASN 34 1HB ASN 34 52.273 13.573 -37.505 247 2HB ASN 34 2HB ASN 34 51.091 14.348 -38.556 248 2HD2 ASN 34 1HD2 ASN 34 51.969 13.581 -35.301 249 1HD2 ASN 34 2HD2 ASN 34 50.789 14.579 -34.527 250 H GLY 35 H GLY 35 48.794 12.288 -36.216 251 1HA GLY 35 1HA GLY 35 49.753 9.900 -34.879 252 2HA GLY 35 2HA GLY 35 49.923 11.380 -33.948 253 H VAL 36 H VAL 36 48.460 10.907 -32.358 254 HA VAL 36 HA VAL 36 45.652 10.794 -33.227 255 HB VAL 36 HB VAL 36 47.060 9.029 -31.273 256 1HG1 VAL 36 1HG1 VAL 36 44.444 10.291 -30.790 257 2HG1 VAL 36 2HG1 VAL 36 44.492 8.538 -30.590 258 3HG1 VAL 36 3HG1 VAL 36 45.582 9.563 -29.656 259 1HG2 VAL 36 1HG2 VAL 36 46.121 8.555 -33.702 260 2HG2 VAL 36 2HG2 VAL 36 46.096 7.330 -32.432 261 3HG2 VAL 36 3HG2 VAL 36 44.639 8.256 -32.793 262 H SER 37 H SER 37 44.621 12.542 -32.591 263 HA SER 37 HA SER 37 45.555 13.985 -30.212 264 1HB SER 37 1HB SER 37 45.252 15.083 -32.560 265 2HB SER 37 2HB SER 37 43.536 15.070 -32.156 266 HG SER 37 HG SER 37 44.386 17.004 -31.461 267 H CYS 38 H CYS 38 44.253 14.318 -28.466 268 HA CYS 38 HA CYS 38 41.508 13.280 -28.627 269 1HB CYS 38 1HB CYS 38 43.147 12.941 -26.138 270 2HB CYS 38 2HB CYS 38 41.723 12.045 -26.656 271 H GLN 39 H GLN 39 40.286 13.920 -26.503 272 HA GLN 39 HA GLN 39 40.921 16.734 -25.895 273 1HB GLN 39 1HB GLN 39 38.887 16.185 -27.434 274 2HB GLN 39 2HB GLN 39 38.103 15.707 -25.934 275 1HG GLN 39 1HG GLN 39 37.985 17.840 -25.148 276 2HG GLN 39 2HG GLN 39 39.426 18.361 -26.023 277 2HE2 GLN 39 1HE2 GLN 39 39.238 18.771 -28.287 278 1HE2 GLN 39 2HE2 GLN 39 37.719 19.236 -28.966 279 H GLU 40 H GLU 40 41.547 16.856 -23.857 280 HA GLU 40 HA GLU 40 41.190 14.994 -21.852 281 1HB GLU 40 1HB GLU 40 41.754 16.852 -20.279 282 2HB GLU 40 2HB GLU 40 42.872 16.684 -21.626 283 1HG GLU 40 1HG GLU 40 42.470 18.748 -22.330 284 2HG GLU 40 2HG GLU 40 40.725 18.511 -22.256 285 H THR 41 H THR 41 39.513 14.392 -20.658 286 HA THR 41 HA THR 41 37.601 14.549 -19.385 287 HB THR 41 HB THR 41 37.131 17.348 -20.383 288 HG1 THR 41 HG1 THR 41 38.562 16.843 -18.006 289 1HG2 THR 41 1HG2 THR 41 36.451 15.923 -17.809 290 2HG2 THR 41 2HG2 THR 41 36.071 17.605 -18.176 291 3HG2 THR 41 3HG2 THR 41 35.330 16.308 -19.114 292 H ALA 42 H ALA 42 37.242 16.415 -22.406 293 HA ALA 42 HA ALA 42 35.888 16.096 -24.216 294 1HB ALA 42 3HB ALA 42 34.936 13.939 -24.654 295 2HB ALA 42 2HB ALA 42 35.117 13.463 -22.966 296 3HB ALA 42 1HB ALA 42 36.545 13.705 -23.971 297 H VAL 43 H VAL 43 34.235 14.691 -21.380 298 HA VAL 43 HA VAL 43 31.707 15.814 -22.128 299 HB VAL 43 HB VAL 43 30.822 14.836 -20.149 300 1HG1 VAL 43 1HG1 VAL 43 31.707 13.330 -22.021 301 2HG1 VAL 43 2HG1 VAL 43 33.011 12.926 -20.905 302 3HG1 VAL 43 3HG1 VAL 43 31.338 12.577 -20.470 303 1HG2 VAL 43 1HG2 VAL 43 33.340 15.489 -19.038 304 2HG2 VAL 43 2HG2 VAL 43 31.912 14.862 -18.213 305 3HG2 VAL 43 3HG2 VAL 43 33.120 13.748 -18.856 306 H THR 44 H THR 44 30.658 16.701 -19.723 307 HA THR 44 HA THR 44 32.281 18.750 -18.561 308 HB THR 44 HB THR 44 30.165 20.316 -19.539 309 HG1 THR 44 HG1 THR 44 30.118 18.572 -21.209 310 1HG2 THR 44 1HG2 THR 44 32.749 20.681 -19.064 311 2HG2 THR 44 2HG2 THR 44 32.848 20.464 -20.812 312 3HG2 THR 44 3HG2 THR 44 31.844 21.749 -20.139 313 H GLN 45 H GLN 45 30.966 20.161 -17.077 314 HA GLN 45 HA GLN 45 29.401 18.569 -15.384 315 1HB GLN 45 2HB GLN 45 28.955 20.613 -14.139 316 2HB GLN 45 1HB GLN 45 29.474 21.590 -15.505 317 1HG GLN 45 1HG GLN 45 31.078 20.067 -13.537 318 2HG GLN 45 2HG GLN 45 31.695 20.180 -15.185 319 2HE2 GLN 45 1HE2 GLN 45 29.988 22.429 -13.033 320 1HE2 GLN 45 2HE2 GLN 45 31.146 23.704 -13.167 321 H THR 46 H THR 46 27.194 19.893 -14.609 322 HA THR 46 HA THR 46 25.503 20.507 -16.873 323 HB THR 46 HB THR 46 23.797 18.756 -16.175 324 HG1 THR 46 HG1 THR 46 24.347 17.516 -14.557 325 1HG2 THR 46 1HG2 THR 46 26.406 17.819 -17.378 326 2HG2 THR 46 2HG2 THR 46 24.858 16.983 -17.510 327 3HG2 THR 46 3HG2 THR 46 25.068 18.571 -18.248 328 H TYR 47 H TYR 47 24.070 22.003 -16.298 329 HA TYR 47 HA TYR 47 23.170 22.124 -13.506 330 1HB TYR 47 1HB TYR 47 23.454 24.564 -13.491 331 2HB TYR 47 2HB TYR 47 24.994 23.747 -13.747 332 HD1 TYR 47 HD1 TYR 47 22.351 25.746 -15.353 333 HD2 TYR 47 HD2 TYR 47 26.211 24.014 -15.797 334 HE1 TYR 47 HE1 TYR 47 22.711 27.083 -17.385 335 HE2 TYR 47 HE2 TYR 47 26.582 25.346 -17.830 336 HH TYR 47 HH TYR 47 25.012 27.960 -18.631 337 H GLY 48 H GLY 48 21.039 22.381 -13.308 338 1HA GLY 48 1HA GLY 48 18.849 22.844 -13.822 339 2HA GLY 48 2HA GLY 48 19.448 23.981 -15.020 340 H GLY 49 H GLY 49 18.403 23.558 -16.853 341 1HA GLY 49 1HA GLY 49 18.083 22.378 -18.840 342 2HA GLY 49 2HA GLY 49 18.751 20.946 -18.071 343 H ASN 50 H ASN 50 16.808 20.147 -19.411 344 HA ASN 50 HA ASN 50 14.178 20.596 -18.537 345 1HB ASN 50 1HB ASN 50 15.253 19.264 -20.620 346 2HB ASN 50 2HB ASN 50 14.840 17.902 -19.583 347 2HD2 ASN 50 1HD2 ASN 50 12.545 18.541 -18.443 348 1HD2 ASN 50 2HD2 ASN 50 11.307 18.825 -19.615 349 H SER 51 H SER 51 16.741 18.772 -17.173 350 HA SER 51 HA SER 51 14.908 17.288 -15.430 351 1HB SER 51 1HB SER 51 17.280 16.541 -16.687 352 2HB SER 51 2HB SER 51 17.734 16.765 -14.998 353 HG SER 51 HG SER 51 15.446 15.469 -14.999 354 H ASN 52 H ASN 52 18.135 18.607 -14.838 355 HA ASN 52 HA ASN 52 17.501 20.709 -13.164 356 1HB ASN 52 1HB ASN 52 16.573 18.526 -11.908 357 2HB ASN 52 2HB ASN 52 18.237 18.485 -11.333 358 2HD2 ASN 52 1HD2 ASN 52 15.577 19.106 -10.060 359 1HD2 ASN 52 2HD2 ASN 52 15.836 20.607 -9.245 360 H GLY 53 H GLY 53 19.622 18.029 -13.875 361 1HA GLY 53 1HA GLY 53 21.884 19.187 -14.555 362 2HA GLY 53 2HA GLY 53 21.941 19.473 -12.822 363 H GLU 54 H GLU 54 20.738 16.608 -14.516 364 HA GLU 54 HA GLU 54 22.388 14.921 -12.852 365 1HB GLU 54 1HB GLU 54 20.421 14.263 -15.049 366 2HB GLU 54 2HB GLU 54 21.251 13.064 -14.069 367 1HG GLU 54 1HG GLU 54 19.003 14.848 -13.385 368 2HG GLU 54 2HG GLU 54 19.327 13.186 -12.898 369 HA PRO 55 HA PRO 55 25.815 13.969 -15.423 370 1HB PRO 55 1HB PRO 55 24.923 11.133 -15.547 371 2HB PRO 55 2HB PRO 55 26.474 11.803 -15.031 372 1HG PRO 55 1HG PRO 55 24.730 10.886 -13.241 373 2HG PRO 55 2HG PRO 55 25.691 12.339 -12.916 374 1HD PRO 55 2HD PRO 55 23.594 13.244 -12.582 375 2HD PRO 55 1HD PRO 55 22.817 12.100 -13.693 376 H CYS 56 H CYS 56 26.474 13.204 -17.554 377 HA CYS 56 HA CYS 56 24.257 13.369 -19.459 378 1HB CYS 56 2HB CYS 56 25.948 13.935 -21.122 379 2HB CYS 56 1HB CYS 56 27.231 13.609 -19.961 380 H VAL 57 H VAL 57 24.139 11.944 -21.267 381 HA VAL 57 HA VAL 57 25.414 9.331 -20.778 382 HB VAL 57 HB VAL 57 22.899 9.479 -20.430 383 1HG1 VAL 57 1HG1 VAL 57 22.906 10.774 -22.837 384 2HG1 VAL 57 2HG1 VAL 57 22.386 9.149 -23.285 385 3HG1 VAL 57 3HG1 VAL 57 21.490 10.057 -22.066 386 1HG2 VAL 57 1HG2 VAL 57 24.504 7.494 -21.721 387 2HG2 VAL 57 2HG2 VAL 57 23.134 7.281 -20.632 388 3HG2 VAL 57 3HG2 VAL 57 22.864 7.437 -22.367 389 H LEU 58 H LEU 58 26.986 10.817 -22.220 390 HA LEU 58 HA LEU 58 26.347 10.403 -25.047 391 1HB LEU 58 1HB LEU 58 28.397 11.838 -25.413 392 2HB LEU 58 2HB LEU 58 27.013 12.623 -24.677 393 HG LEU 58 HG LEU 58 29.353 13.121 -23.736 394 1HD1 LEU 58 1HD1 LEU 58 26.818 13.124 -22.628 395 2HD1 LEU 58 2HD1 LEU 58 27.827 12.352 -21.406 396 3HD1 LEU 58 3HD1 LEU 58 28.241 13.958 -22.007 397 1HD2 LEU 58 1HD2 LEU 58 29.939 10.663 -23.633 398 2HD2 LEU 58 2HD2 LEU 58 30.287 11.610 -22.186 399 3HD2 LEU 58 3HD2 LEU 58 28.868 10.564 -22.235 400 HA PRO 59 HA PRO 59 27.977 10.785 -26.888 401 1HB PRO 59 2HB PRO 59 28.961 9.973 -28.759 402 2HB PRO 59 1HB PRO 59 28.071 8.455 -28.659 403 1HG PRO 59 1HG PRO 59 30.174 7.660 -28.110 404 2HG PRO 59 2HG PRO 59 30.677 9.211 -27.412 405 1HD PRO 59 1HD PRO 59 28.956 7.067 -26.220 406 2HD PRO 59 2HD PRO 59 30.266 8.002 -25.465 407 H PHE 60 H PHE 60 26.008 11.223 -27.697 408 HA PHE 60 HA PHE 60 23.953 9.116 -27.520 409 1HB PHE 60 1HB PHE 60 22.369 11.126 -27.161 410 2HB PHE 60 2HB PHE 60 23.366 10.605 -25.807 411 HD1 PHE 60 HD1 PHE 60 22.999 13.146 -28.452 412 HD2 PHE 60 HD2 PHE 60 24.999 12.030 -24.866 413 HE1 PHE 60 HE1 PHE 60 23.910 15.423 -28.257 414 HE2 PHE 60 HE2 PHE 60 25.914 14.305 -24.663 415 HZ PHE 60 HZ PHE 60 25.371 16.004 -26.361 416 H THR 61 H THR 61 21.879 10.179 -28.796 417 HA THR 61 HA THR 61 22.928 11.010 -31.421 418 HB THR 61 HB THR 61 20.428 9.532 -31.605 419 HG1 THR 61 HG1 THR 61 22.664 8.333 -30.347 420 1HG2 THR 61 1HG2 THR 61 23.167 9.269 -32.843 421 2HG2 THR 61 2HG2 THR 61 21.791 8.258 -33.286 422 3HG2 THR 61 3HG2 THR 61 21.729 10.000 -33.558 423 H TYR 62 H TYR 62 22.126 12.859 -32.120 424 HA TYR 62 HA TYR 62 19.379 13.603 -31.448 425 1HB TYR 62 1HB TYR 62 20.766 14.712 -29.765 426 2HB TYR 62 2HB TYR 62 21.773 15.406 -31.031 427 HD1 TYR 62 HD1 TYR 62 18.237 15.326 -29.849 428 HD2 TYR 62 HD2 TYR 62 21.280 17.522 -31.851 429 HE1 TYR 62 HE1 TYR 62 16.750 17.282 -29.949 430 HE2 TYR 62 HE2 TYR 62 19.803 19.485 -31.957 431 HH TYR 62 HH TYR 62 17.271 19.887 -31.929 432 H ASN 63 H ASN 63 18.313 14.543 -33.102 433 HA ASN 63 HA ASN 63 17.870 15.357 -35.180 434 1HB ASN 63 1HB ASN 63 19.772 17.007 -34.249 435 2HB ASN 63 2HB ASN 63 20.640 16.329 -35.624 436 2HD2 ASN 63 1HD2 ASN 63 17.727 18.027 -34.653 437 1HD2 ASN 63 2HD2 ASN 63 17.433 18.780 -36.179 438 H GLY 64 H GLY 64 19.594 12.785 -34.609 439 1HA GLY 64 1HA GLY 64 19.737 10.986 -36.161 440 2HA GLY 64 2HA GLY 64 19.907 12.157 -37.459 441 H ARG 65 H ARG 65 21.862 13.314 -35.143 442 HA ARG 65 HA ARG 65 24.194 11.904 -36.250 443 1HB ARG 65 2HB ARG 65 24.096 14.332 -36.682 444 2HB ARG 65 1HB ARG 65 25.493 13.886 -35.713 445 1HG ARG 65 1HG ARG 65 23.445 14.479 -33.891 446 2HG ARG 65 2HG ARG 65 24.899 15.418 -34.237 447 1HD ARG 65 1HD ARG 65 22.730 15.739 -36.189 448 2HD ARG 65 2HD ARG 65 22.353 16.317 -34.567 449 HE ARG 65 HE ARG 65 24.709 17.463 -34.953 450 1HH1 ARG 65 1HH1 ARG 65 21.975 17.190 -37.092 451 2HH1 ARG 65 2HH1 ARG 65 22.315 18.669 -37.925 452 1HH2 ARG 65 1HH2 ARG 65 25.167 19.413 -36.043 453 2HH2 ARG 65 2HH2 ARG 65 24.129 19.933 -37.330 454 H THR 66 H THR 66 26.077 12.746 -34.356 455 HA THR 66 HA THR 66 25.137 11.693 -31.797 456 HB THR 66 HB THR 66 27.543 10.555 -33.232 457 HG1 THR 66 HG1 THR 66 26.258 8.671 -33.358 458 1HG2 THR 66 1HG2 THR 66 27.632 10.737 -30.696 459 2HG2 THR 66 2HG2 THR 66 26.300 9.583 -30.667 460 3HG2 THR 66 3HG2 THR 66 27.847 9.123 -31.372 461 H PHE 67 H PHE 67 26.467 12.216 -30.012 462 HA PHE 67 HA PHE 67 28.725 14.005 -30.490 463 1HB PHE 67 2HB PHE 67 27.888 15.822 -29.311 464 2HB PHE 67 1HB PHE 67 26.696 14.849 -28.457 465 HD1 PHE 67 HD1 PHE 67 24.995 13.636 -30.249 466 HD2 PHE 67 HD2 PHE 67 27.005 17.359 -30.740 467 HE1 PHE 67 HE1 PHE 67 23.262 14.361 -31.836 468 HE2 PHE 67 HE2 PHE 67 25.274 18.087 -32.329 469 HZ PHE 67 HZ PHE 67 23.399 16.588 -32.878 470 H TYR 68 H TYR 68 30.356 13.211 -29.332 471 HA TYR 68 HA TYR 68 29.980 11.361 -27.204 472 1HB TYR 68 1HB TYR 68 32.370 12.766 -28.368 473 2HB TYR 68 2HB TYR 68 32.522 11.802 -26.904 474 HD1 TYR 68 HD1 TYR 68 30.236 10.958 -29.667 475 HD2 TYR 68 HD2 TYR 68 33.978 10.142 -27.826 476 HE1 TYR 68 HE1 TYR 68 30.455 8.922 -31.026 477 HE2 TYR 68 HE2 TYR 68 34.213 8.108 -29.178 478 HH TYR 68 HH TYR 68 32.345 6.479 -30.393 479 H SER 69 H SER 69 29.622 14.651 -27.283 480 HA SER 69 HA SER 69 29.731 14.816 -24.388 481 1HB SER 69 1HB SER 69 32.004 15.521 -25.292 482 2HB SER 69 2HB SER 69 31.182 16.897 -26.028 483 HG SER 69 HG SER 69 31.883 17.583 -24.057 484 H CYS 70 H CYS 70 29.407 17.586 -24.170 485 HA CYS 70 HA CYS 70 26.650 17.844 -24.768 486 1HB CYS 70 1HB CYS 70 28.745 19.670 -23.641 487 2HB CYS 70 2HB CYS 70 27.175 20.319 -24.098 488 H THR 71 H THR 71 25.829 19.915 -25.888 489 HA THR 71 HA THR 71 27.362 21.031 -28.002 490 HB THR 71 HB THR 71 26.962 18.711 -28.892 491 HG1 THR 71 HG1 THR 71 26.304 19.529 -30.955 492 1HG2 THR 71 1HG2 THR 71 24.105 19.669 -28.784 493 2HG2 THR 71 2HG2 THR 71 24.637 18.358 -29.839 494 3HG2 THR 71 3HG2 THR 71 24.788 18.198 -28.089 495 H THR 72 H THR 72 25.981 22.337 -29.503 496 HA THR 72 HA THR 72 23.488 23.182 -28.183 497 HB THR 72 HB THR 72 24.196 25.486 -29.338 498 HG1 THR 72 HG1 THR 72 26.480 25.750 -29.047 499 1HG2 THR 72 1HG2 THR 72 25.101 24.432 -26.661 500 2HG2 THR 72 2HG2 THR 72 25.219 26.129 -27.127 501 3HG2 THR 72 3HG2 THR 72 23.640 25.350 -27.019 502 H GLU 73 H GLU 73 23.261 21.328 -30.090 503 HA GLU 73 HA GLU 73 22.758 22.681 -32.636 504 1HB GLU 73 1HB GLU 73 23.014 19.813 -31.805 505 2HB GLU 73 2HB GLU 73 22.201 20.223 -33.308 506 1HG GLU 73 1HG GLU 73 25.055 20.752 -32.548 507 2HG GLU 73 2HG GLU 73 24.443 19.737 -33.853 508 H GLY 74 H GLY 74 21.096 22.496 -29.939 509 1HA GLY 74 1HA GLY 74 18.533 21.970 -31.317 510 2HA GLY 74 2HA GLY 74 18.807 21.563 -29.630 511 H ARG 75 H ARG 75 20.372 24.421 -30.215 512 HA ARG 75 HA ARG 75 18.040 26.124 -29.842 513 1HB ARG 75 1HB ARG 75 19.311 27.222 -27.873 514 2HB ARG 75 2HB ARG 75 18.410 25.741 -27.582 515 1HG ARG 75 1HG ARG 75 20.904 24.819 -28.279 516 2HG ARG 75 2HG ARG 75 21.254 26.271 -27.339 517 1HD ARG 75 1HD ARG 75 19.905 23.748 -26.517 518 2HD ARG 75 2HD ARG 75 21.134 24.691 -25.675 519 HE ARG 75 HE ARG 75 19.115 26.369 -25.526 520 1HH1 ARG 75 1HH1 ARG 75 19.104 22.911 -25.076 521 2HH1 ARG 75 2HH1 ARG 75 17.764 22.931 -23.980 522 1HH2 ARG 75 1HH2 ARG 75 17.355 26.401 -24.083 523 2HH2 ARG 75 2HH2 ARG 75 16.770 24.913 -23.415 524 H GLN 76 H GLN 76 18.468 28.367 -30.149 525 HA GLN 76 HA GLN 76 20.891 28.843 -31.742 526 1HB GLN 76 1HB GLN 76 18.607 30.760 -31.725 527 2HB GLN 76 2HB GLN 76 19.709 30.343 -33.030 528 1HG GLN 76 1HG GLN 76 18.442 27.993 -32.717 529 2HG GLN 76 2HG GLN 76 17.166 29.105 -32.224 530 2HE2 GLN 76 1HE2 GLN 76 17.494 27.364 -34.607 531 1HE2 GLN 76 2HE2 GLN 76 17.291 28.414 -35.964 532 H ASP 77 H ASP 77 20.423 29.000 -28.722 533 HA ASP 77 HA ASP 77 20.984 31.818 -28.230 534 1HB ASP 77 1HB ASP 77 21.097 30.796 -25.772 535 2HB ASP 77 2HB ASP 77 19.567 31.184 -26.550 536 H GLY 78 H GLY 78 22.432 28.698 -27.310 537 1HA GLY 78 1HA GLY 78 24.857 28.521 -27.998 538 2HA GLY 78 2HA GLY 78 25.041 30.076 -27.204 539 H HIS 79 H HIS 79 23.055 27.423 -26.021 540 HA HIS 79 HA HIS 79 24.871 27.218 -23.712 541 1HB HIS 79 1HB HIS 79 21.937 26.503 -23.762 542 2HB HIS 79 2HB HIS 79 22.983 26.624 -22.351 543 HD1 HIS 79 HD1 HIS 79 24.132 29.439 -23.811 544 HD2 HIS 79 HD2 HIS 79 20.344 28.486 -22.393 545 HE1 HIS 79 HE1 HIS 79 23.010 31.643 -23.357 546 HE2 HIS 79 HE2 HIS 79 20.751 31.040 -22.418 547 H LEU 80 H LEU 80 26.021 25.419 -23.646 548 HA LEU 80 HA LEU 80 25.560 23.198 -25.327 549 1HB LEU 80 1HB LEU 80 27.365 23.739 -22.998 550 2HB LEU 80 2HB LEU 80 27.231 22.112 -23.631 551 HG LEU 80 HG LEU 80 28.142 22.727 -25.723 552 1HD1 LEU 80 1HD1 LEU 80 26.810 24.916 -25.755 553 2HD1 LEU 80 2HD1 LEU 80 28.209 25.621 -24.947 554 3HD1 LEU 80 3HD1 LEU 80 28.387 24.895 -26.544 555 1HD2 LEU 80 1HD2 LEU 80 29.519 23.700 -23.299 556 2HD2 LEU 80 2HD2 LEU 80 30.030 22.511 -24.498 557 3HD2 LEU 80 3HD2 LEU 80 30.180 24.234 -24.845 558 H TRP 81 H TRP 81 24.624 21.228 -24.954 559 HA TRP 81 HA TRP 81 23.570 20.631 -22.302 560 1HB TRP 81 1HB TRP 81 21.304 20.237 -23.142 561 2HB TRP 81 2HB TRP 81 21.781 21.913 -23.395 562 HD1 TRP 81 HD1 TRP 81 21.823 22.799 -25.855 563 HE1 TRP 81 HE1 TRP 81 21.184 21.778 -28.130 564 HE3 TRP 81 HE3 TRP 81 21.315 17.914 -24.439 565 HZ2 TRP 81 HZ2 TRP 81 20.545 19.239 -29.184 566 HZ3 TRP 81 HZ3 TRP 81 20.687 16.251 -26.141 567 HH2 TRP 81 HH2 TRP 81 20.309 16.902 -28.464 568 H CYS 82 H CYS 82 23.125 18.463 -21.945 569 HA CYS 82 HA CYS 82 23.930 16.623 -24.102 570 1HB CYS 82 1HB CYS 82 24.878 15.143 -22.353 571 2HB CYS 82 2HB CYS 82 25.691 16.702 -22.431 572 H SER 83 H SER 83 23.323 14.227 -22.802 573 HA SER 83 HA SER 83 20.452 14.490 -22.219 574 1HB SER 83 1HB SER 83 19.921 13.382 -24.087 575 2HB SER 83 2HB SER 83 21.627 13.271 -24.519 576 HG SER 83 HG SER 83 20.061 11.443 -23.038 577 H THR 84 H THR 84 19.790 13.424 -20.464 578 HA THR 84 HA THR 84 21.698 11.916 -18.921 579 HB THR 84 HB THR 84 20.238 12.076 -17.138 580 HG1 THR 84 HG1 THR 84 17.905 12.377 -17.538 581 1HG2 THR 84 1HG2 THR 84 20.396 14.358 -18.814 582 2HG2 THR 84 2HG2 THR 84 18.769 14.311 -18.135 583 3HG2 THR 84 3HG2 THR 84 20.170 14.303 -17.066 584 H THR 85 H THR 85 19.265 11.249 -21.213 585 HA THR 85 HA THR 85 19.540 8.371 -20.694 586 HB THR 85 HB THR 85 16.975 9.883 -21.170 587 HG1 THR 85 HG1 THR 85 16.512 8.213 -19.358 588 1HG2 THR 85 1HG2 THR 85 17.705 7.219 -22.100 589 2HG2 THR 85 2HG2 THR 85 16.290 7.210 -21.046 590 3HG2 THR 85 3HG2 THR 85 16.300 8.210 -22.499 591 H SER 86 H SER 86 20.028 7.212 -22.457 592 HA SER 86 HA SER 86 20.895 8.264 -24.816 593 1HB SER 86 1HB SER 86 20.860 5.779 -23.849 594 2HB SER 86 2HB SER 86 19.521 5.622 -24.985 595 HG SER 86 HG SER 86 22.142 5.620 -25.488 596 H ASN 87 H ASN 87 17.686 6.768 -24.359 597 HA ASN 87 HA ASN 87 16.718 7.643 -26.890 598 1HB ASN 87 1HB ASN 87 15.821 5.940 -24.798 599 2HB ASN 87 2HB ASN 87 14.557 7.129 -25.091 600 2HD2 ASN 87 1HD2 ASN 87 14.239 7.528 -27.549 601 1HD2 ASN 87 2HD2 ASN 87 14.074 6.095 -28.500 602 H TYR 88 H TYR 88 17.624 9.931 -26.194 603 HA TYR 88 HA TYR 88 15.929 11.527 -24.548 604 1HB TYR 88 1HB TYR 88 18.047 12.444 -24.687 605 2HB TYR 88 2HB TYR 88 18.221 12.049 -26.393 606 HD1 TYR 88 HD1 TYR 88 16.997 13.444 -28.095 607 HD2 TYR 88 HD2 TYR 88 17.276 14.574 -24.003 608 HE1 TYR 88 HE1 TYR 88 16.402 15.752 -28.699 609 HE2 TYR 88 HE2 TYR 88 16.682 16.886 -24.595 610 HH TYR 88 HH TYR 88 16.342 18.330 -26.270 611 H GLU 89 H GLU 89 15.800 10.422 -27.773 612 HA GLU 89 HA GLU 89 14.290 12.505 -28.939 613 1HB GLU 89 1HB GLU 89 14.272 9.581 -29.700 614 2HB GLU 89 2HB GLU 89 13.814 10.938 -30.720 615 1HG GLU 89 1HG GLU 89 16.575 10.672 -29.584 616 2HG GLU 89 2HG GLU 89 16.103 9.893 -31.094 617 H GLN 90 H GLN 90 13.475 9.896 -26.819 618 HA GLN 90 HA GLN 90 10.623 10.567 -27.135 619 1HB GLN 90 2HB GLN 90 11.316 8.228 -27.819 620 2HB GLN 90 1HB GLN 90 10.015 8.337 -26.642 621 1HG GLN 90 1HG GLN 90 12.713 7.222 -26.382 622 2HG GLN 90 2HG GLN 90 12.163 8.183 -25.011 623 2HE2 GLN 90 1HE2 GLN 90 11.732 6.669 -23.530 624 1HE2 GLN 90 2HE2 GLN 90 10.612 5.370 -23.739 625 H ASP 91 H ASP 91 13.305 10.266 -25.000 626 HA ASP 91 HA ASP 91 11.718 10.319 -22.586 627 1HB ASP 91 1HB ASP 91 14.688 10.528 -23.093 628 2HB ASP 91 2HB ASP 91 13.977 10.617 -21.485 629 H GLN 92 H GLN 92 14.041 12.540 -24.128 630 HA GLN 92 HA GLN 92 13.932 14.831 -24.335 631 1HB GLN 92 1HB GLN 92 11.402 14.495 -24.074 632 2HB GLN 92 2HB GLN 92 11.646 14.885 -22.377 633 1HG GLN 92 1HG GLN 92 10.919 16.801 -23.770 634 2HG GLN 92 2HG GLN 92 12.439 17.066 -22.917 635 2HE2 GLN 92 1HE2 GLN 92 11.702 15.339 -25.919 636 1HE2 GLN 92 2HE2 GLN 92 12.757 16.270 -26.920 637 H LYS 93 H LYS 93 14.860 13.009 -21.918 638 HA LYS 93 HA LYS 93 15.212 14.977 -19.833 639 1HB LYS 93 1HB LYS 93 16.088 12.119 -20.187 640 2HB LYS 93 2HB LYS 93 16.682 13.101 -18.856 641 1HG LYS 93 1HG LYS 93 14.645 11.577 -18.472 642 2HG LYS 93 2HG LYS 93 14.606 13.226 -17.845 643 1HD LYS 93 1HD LYS 93 13.130 13.950 -19.493 644 2HD LYS 93 2HD LYS 93 13.512 12.600 -20.562 645 1HE LYS 93 1HE LYS 93 12.283 11.077 -19.235 646 2HE LYS 93 2HE LYS 93 12.154 12.229 -17.905 647 1HZ LYS 93 1HZ LYS 93 11.027 13.066 -20.454 648 2HZ LYS 93 2HZ LYS 93 10.214 11.816 -19.658 649 3HZ LYS 93 3HZ LYS 93 10.447 13.302 -18.883 650 H TYR 94 H TYR 94 16.528 16.612 -20.431 651 HA TYR 94 HA TYR 94 19.280 15.889 -21.170 652 1HB TYR 94 2HB TYR 94 17.812 16.737 -23.113 653 2HB TYR 94 1HB TYR 94 19.394 17.476 -22.889 654 HD1 TYR 94 HD1 TYR 94 19.480 19.681 -21.557 655 HD2 TYR 94 HD2 TYR 94 15.902 18.077 -23.209 656 HE1 TYR 94 HE1 TYR 94 18.434 21.905 -21.439 657 HE2 TYR 94 HE2 TYR 94 14.847 20.294 -23.095 658 HH TYR 94 HH TYR 94 16.191 22.883 -21.349 659 H SER 95 H SER 95 20.868 17.545 -20.704 660 HA SER 95 HA SER 95 20.035 19.424 -18.596 661 1HB SER 95 1HB SER 95 22.600 18.838 -17.876 662 2HB SER 95 2HB SER 95 21.177 18.060 -17.184 663 HG SER 95 HG SER 95 21.576 16.284 -18.307 664 H PHE 96 H PHE 96 22.290 20.803 -18.144 665 HA PHE 96 HA PHE 96 22.932 21.904 -20.797 666 1HB PHE 96 1HB PHE 96 22.526 23.177 -18.123 667 2HB PHE 96 2HB PHE 96 23.585 23.959 -19.291 668 HD1 PHE 96 HD1 PHE 96 22.278 23.493 -21.821 669 HD2 PHE 96 HD2 PHE 96 20.577 24.407 -18.028 670 HE1 PHE 96 HE1 PHE 96 20.322 24.480 -22.941 671 HE2 PHE 96 HE2 PHE 96 18.615 25.393 -19.140 672 HZ PHE 96 HZ PHE 96 18.485 25.428 -21.600 673 H CYS 97 H CYS 97 25.078 23.333 -20.520 674 HA CYS 97 HA CYS 97 27.102 21.840 -19.040 675 1HB CYS 97 1HB CYS 97 26.705 21.672 -21.908 676 2HB CYS 97 2HB CYS 97 28.309 22.283 -21.520 677 H THR 98 H THR 98 28.567 23.152 -18.160 678 HA THR 98 HA THR 98 28.385 25.974 -18.512 679 HB THR 98 HB THR 98 30.609 25.812 -17.091 680 HG1 THR 98 HG1 THR 98 30.187 23.729 -15.792 681 1HG2 THR 98 1HG2 THR 98 28.340 26.592 -16.357 682 2HG2 THR 98 2HG2 THR 98 27.993 24.928 -15.887 683 3HG2 THR 98 3HG2 THR 98 29.297 25.813 -15.097 684 H ASP 99 H ASP 99 31.544 24.496 -18.376 685 HA ASP 99 HA ASP 99 33.288 24.426 -19.860 686 1HB ASP 99 1HB ASP 99 31.050 24.561 -21.579 687 2HB ASP 99 2HB ASP 99 32.200 25.762 -22.161 688 H HIS 100 H HIS 100 31.431 27.328 -20.792 689 HA HIS 100 HA HIS 100 31.915 29.549 -20.652 690 1HB HIS 100 1HB HIS 100 34.065 28.633 -18.729 691 2HB HIS 100 2HB HIS 100 33.596 30.309 -18.997 692 HD1 HIS 100 HD1 HIS 100 31.058 30.899 -18.310 693 HD2 HIS 100 HD2 HIS 100 32.578 27.315 -16.856 694 HE1 HIS 100 HE1 HIS 100 29.531 30.237 -16.425 695 HE2 HIS 100 HE2 HIS 100 30.436 28.034 -15.600 696 H THR 101 H THR 101 33.596 31.156 -21.280 697 HA THR 101 HA THR 101 35.088 31.897 -22.835 698 HB THR 101 HB THR 101 37.288 30.844 -22.868 699 HG1 THR 101 HG1 THR 101 37.623 28.842 -22.078 700 1HG2 THR 101 1HG2 THR 101 35.883 31.569 -20.418 701 2HG2 THR 101 2HG2 THR 101 37.269 30.518 -20.129 702 3HG2 THR 101 3HG2 THR 101 37.485 32.044 -20.986 No H/Q in entry = 702 Start of MODEL 6 1 H1 TYR 1 H1 TYR 1 46.670 5.671 -46.382 2 H2 TYR 1 H2 TYR 1 45.633 6.854 -47.006 3 H3 TYR 1 H3 TYR 1 46.403 7.103 -45.522 4 HA TYR 1 HA TYR 1 44.176 6.536 -45.043 5 1HB TYR 1 1HB TYR 1 44.696 4.237 -46.938 6 2HB TYR 1 2HB TYR 1 43.263 4.363 -45.923 7 HD1 TYR 1 HD1 TYR 1 43.229 7.517 -46.322 8 HD2 TYR 1 HD2 TYR 1 43.297 4.171 -48.950 9 HE1 TYR 1 HE1 TYR 1 42.119 8.862 -48.055 10 HE2 TYR 1 HE2 TYR 1 42.188 5.508 -50.691 11 HH TYR 1 HH TYR 1 41.973 8.816 -50.610 12 H GLY 2 H GLY 2 46.040 6.467 -43.330 13 1HA GLY 2 1HA GLY 2 46.980 3.911 -42.494 14 2HA GLY 2 2HA GLY 2 47.043 5.396 -41.557 15 H HIS 3 H HIS 3 46.567 3.099 -40.237 16 HA HIS 3 HA HIS 3 43.702 3.295 -39.575 17 1HB HIS 3 1HB HIS 3 45.300 0.961 -40.274 18 2HB HIS 3 2HB HIS 3 44.511 0.778 -38.711 19 HD1 HIS 3 HD1 HIS 3 43.753 1.200 -42.364 20 HD2 HIS 3 HD2 HIS 3 41.756 0.438 -38.801 21 HE1 HIS 3 HE1 HIS 3 41.427 0.515 -43.031 22 HE2 HIS 3 HE2 HIS 3 40.261 -0.016 -40.862 23 H CYS 4 H CYS 4 43.149 3.023 -37.362 24 HA CYS 4 HA CYS 4 45.419 3.316 -35.508 25 1HB CYS 4 1HB CYS 4 43.468 4.635 -34.185 26 2HB CYS 4 2HB CYS 4 44.618 5.417 -35.259 27 H VAL 5 H VAL 5 45.148 2.443 -33.413 28 HA VAL 5 HA VAL 5 42.796 1.061 -32.612 29 HB VAL 5 HB VAL 5 43.692 -0.469 -34.408 30 1HG1 VAL 5 1HG1 VAL 5 46.114 -0.015 -33.185 31 2HG1 VAL 5 2HG1 VAL 5 45.692 -1.640 -32.645 32 3HG1 VAL 5 3HG1 VAL 5 45.774 -1.276 -34.369 33 1HG2 VAL 5 1HG2 VAL 5 42.935 -1.135 -31.667 34 2HG2 VAL 5 2HG2 VAL 5 42.325 -1.763 -33.198 35 3HG2 VAL 5 3HG2 VAL 5 43.798 -2.430 -32.496 36 H THR 6 H THR 6 42.819 0.859 -30.457 37 HA THR 6 HA THR 6 45.198 1.618 -29.008 38 HB THR 6 HB THR 6 43.851 1.809 -27.096 39 HG1 THR 6 HG1 THR 6 41.978 0.674 -26.795 40 1HG2 THR 6 1HG2 THR 6 43.275 3.446 -28.849 41 2HG2 THR 6 2HG2 THR 6 42.003 2.366 -29.421 42 3HG2 THR 6 3HG2 THR 6 41.899 3.077 -27.810 43 H ASP 7 H ASP 7 44.352 -1.206 -30.335 44 HA ASP 7 HA ASP 7 45.119 -3.334 -30.059 45 1HB ASP 7 1HB ASP 7 46.509 -2.294 -27.582 46 2HB ASP 7 2HB ASP 7 46.849 -3.808 -28.416 47 H SER 8 H SER 8 42.955 -1.819 -28.204 48 HA SER 8 HA SER 8 42.535 -3.990 -26.294 49 1HB SER 8 1HB SER 8 41.782 -1.158 -26.445 50 2HB SER 8 2HB SER 8 40.482 -2.208 -25.884 51 HG SER 8 HG SER 8 42.645 -2.996 -24.634 52 H GLY 9 H GLY 9 41.820 -3.565 -29.414 53 1HA GLY 9 1HA GLY 9 40.383 -5.307 -30.388 54 2HA GLY 9 2HA GLY 9 39.208 -4.918 -29.141 55 H VAL 10 H VAL 10 40.245 -1.995 -29.790 56 HA VAL 10 HA VAL 10 38.129 -1.510 -31.742 57 HB VAL 10 HB VAL 10 39.633 0.780 -30.631 58 1HG1 VAL 10 1HG1 VAL 10 36.747 0.095 -31.130 59 2HG1 VAL 10 2HG1 VAL 10 37.245 1.569 -30.299 60 3HG1 VAL 10 3HG1 VAL 10 37.751 1.281 -31.964 61 1HG2 VAL 10 1HG2 VAL 10 38.379 -1.266 -28.925 62 2HG2 VAL 10 2HG2 VAL 10 39.613 -0.066 -28.541 63 3HG2 VAL 10 3HG2 VAL 10 37.912 0.400 -28.583 64 H VAL 11 H VAL 11 38.781 -1.712 -33.790 65 HA VAL 11 HA VAL 11 41.443 -0.778 -34.565 66 HB VAL 11 HB VAL 11 39.467 -2.170 -36.360 67 1HG1 VAL 11 1HG1 VAL 11 41.895 -0.993 -36.870 68 2HG1 VAL 11 2HG1 VAL 11 42.317 -2.693 -36.666 69 3HG1 VAL 11 3HG1 VAL 11 41.115 -2.221 -37.868 70 1HG2 VAL 11 1HG2 VAL 11 41.126 -3.275 -34.171 71 2HG2 VAL 11 2HG2 VAL 11 39.594 -3.845 -34.833 72 3HG2 VAL 11 3HG2 VAL 11 41.101 -4.173 -35.689 73 H TYR 12 H TYR 12 40.892 1.468 -34.340 74 HA TYR 12 HA TYR 12 38.849 2.677 -35.916 75 1HB TYR 12 1HB TYR 12 41.281 3.874 -34.573 76 2HB TYR 12 2HB TYR 12 39.969 4.807 -35.286 77 HD1 TYR 12 HD1 TYR 12 37.691 4.684 -34.265 78 HD2 TYR 12 HD2 TYR 12 41.098 2.932 -32.417 79 HE1 TYR 12 HE1 TYR 12 36.470 4.575 -32.131 80 HE2 TYR 12 HE2 TYR 12 39.888 2.816 -30.278 81 HH TYR 12 HH TYR 12 36.540 3.288 -30.032 82 H SER 13 H SER 13 39.759 4.707 -37.289 83 HA SER 13 HA SER 13 41.856 3.757 -39.098 84 1HB SER 13 1HB SER 13 39.041 4.500 -39.852 85 2HB SER 13 2HB SER 13 40.361 4.631 -41.013 86 HG SER 13 HG SER 13 40.381 2.536 -41.207 87 H VAL 14 H VAL 14 43.062 5.336 -40.071 88 HA VAL 14 HA VAL 14 43.744 7.607 -38.875 89 HB VAL 14 HB VAL 14 44.939 6.947 -40.829 90 1HG1 VAL 14 1HG1 VAL 14 42.662 6.259 -41.959 91 2HG1 VAL 14 2HG1 VAL 14 42.807 7.855 -42.696 92 3HG1 VAL 14 3HG1 VAL 14 44.079 6.656 -42.932 93 1HG2 VAL 14 1HG2 VAL 14 44.975 9.350 -40.269 94 2HG2 VAL 14 2HG2 VAL 14 45.214 9.053 -41.992 95 3HG2 VAL 14 3HG2 VAL 14 43.649 9.614 -41.403 96 H GLY 15 H GLY 15 42.015 8.648 -37.852 97 1HA GLY 15 1HA GLY 15 40.885 10.758 -37.930 98 2HA GLY 15 2HA GLY 15 40.528 10.461 -39.621 99 H MET 16 H MET 16 40.003 8.623 -36.623 100 HA MET 16 HA MET 16 37.126 8.610 -37.238 101 1HB MET 16 1HB MET 16 38.941 6.350 -37.073 102 2HB MET 16 2HB MET 16 37.615 6.200 -35.930 103 1HG MET 16 1HG MET 16 36.789 7.033 -38.606 104 2HG MET 16 2HG MET 16 37.547 5.442 -38.546 105 1HE MET 16 1HE MET 16 37.046 3.691 -37.247 106 2HE MET 16 2HE MET 16 35.766 3.517 -36.046 107 3HE MET 16 3HE MET 16 35.447 3.133 -37.738 108 H GLN 17 H GLN 17 37.941 10.471 -35.593 109 HA GLN 17 HA GLN 17 38.558 10.297 -33.032 110 1HB GLN 17 1HB GLN 17 36.202 11.778 -34.191 111 2HB GLN 17 2HB GLN 17 36.727 11.989 -32.526 112 1HG GLN 17 1HG GLN 17 38.900 12.756 -33.286 113 2HG GLN 17 2HG GLN 17 38.419 12.498 -34.963 114 2HE2 GLN 17 1HE2 GLN 17 38.098 14.507 -32.162 115 1HE2 GLN 17 2HE2 GLN 17 37.275 15.814 -32.935 116 H TRP 18 H TRP 18 37.934 9.356 -31.193 117 HA TRP 18 HA TRP 18 35.224 8.309 -30.940 118 1HB TRP 18 1HB TRP 18 35.905 6.092 -30.360 119 2HB TRP 18 2HB TRP 18 36.676 6.488 -31.891 120 HD1 TRP 18 HD1 TRP 18 37.476 5.803 -28.221 121 HE1 TRP 18 HE1 TRP 18 40.004 5.393 -27.991 122 HE3 TRP 18 HE3 TRP 18 38.941 7.072 -32.952 123 HZ2 TRP 18 HZ2 TRP 18 42.323 5.584 -29.612 124 HZ3 TRP 18 HZ3 TRP 18 41.322 6.930 -33.527 125 HH2 TRP 18 HH2 TRP 18 42.974 6.201 -31.892 126 H LEU 19 H LEU 19 35.293 7.042 -28.604 127 HA LEU 19 HA LEU 19 36.534 8.943 -26.729 128 1HB LEU 19 1HB LEU 19 33.907 8.905 -27.159 129 2HB LEU 19 2HB LEU 19 33.985 7.591 -26.002 130 HG LEU 19 HG LEU 19 35.394 9.392 -24.631 131 1HD1 LEU 19 1HD1 LEU 19 35.116 11.035 -26.535 132 2HD1 LEU 19 2HD1 LEU 19 33.414 11.131 -26.076 133 3HD1 LEU 19 3HD1 LEU 19 34.666 11.613 -24.931 134 1HD2 LEU 19 1HD2 LEU 19 33.144 8.163 -24.181 135 2HD2 LEU 19 2HD2 LEU 19 33.549 9.616 -23.266 136 3HD2 LEU 19 3HD2 LEU 19 32.426 9.713 -24.623 137 H LYS 20 H LYS 20 38.084 7.906 -25.665 138 HA LYS 20 HA LYS 20 37.507 5.199 -24.659 139 1HB LYS 20 1HB LYS 20 39.066 4.777 -26.354 140 2HB LYS 20 2HB LYS 20 39.979 6.238 -26.007 141 1HG LYS 20 1HG LYS 20 40.656 5.202 -23.835 142 2HG LYS 20 2HG LYS 20 39.903 3.705 -24.389 143 1HD LYS 20 1HD LYS 20 41.742 3.186 -25.523 144 2HD LYS 20 2HD LYS 20 41.604 4.681 -26.453 145 1HE LYS 20 1HE LYS 20 43.015 5.846 -25.033 146 2HE LYS 20 2HE LYS 20 42.747 4.734 -23.691 147 1HZ LYS 20 1HZ LYS 20 43.976 3.556 -26.033 148 2HZ LYS 20 2HZ LYS 20 44.923 4.717 -25.245 149 3HZ LYS 20 3HZ LYS 20 44.360 3.367 -24.397 150 H THR 21 H THR 21 38.822 4.583 -22.771 151 HA THR 21 HA THR 21 39.547 6.910 -21.110 152 HB THR 21 HB THR 21 37.464 6.074 -20.252 153 HG1 THR 21 HG1 THR 21 39.276 4.846 -18.493 154 1HG2 THR 21 1HG2 THR 21 38.792 3.362 -20.207 155 2HG2 THR 21 2HG2 THR 21 37.213 3.732 -19.515 156 3HG2 THR 21 3HG2 THR 21 37.464 3.861 -21.255 157 H GLN 22 H GLN 22 40.739 5.939 -19.025 158 HA GLN 22 HA GLN 22 42.773 4.049 -20.015 159 1HB GLN 22 1HB GLN 22 43.178 6.494 -18.287 160 2HB GLN 22 2HB GLN 22 44.421 5.292 -18.613 161 1HG GLN 22 1HG GLN 22 43.207 6.275 -21.048 162 2HG GLN 22 2HG GLN 22 43.896 7.576 -20.078 163 2HE2 GLN 22 1HE2 GLN 22 45.024 7.200 -22.430 164 1HE2 GLN 22 2HE2 GLN 22 46.556 6.414 -22.292 165 H GLY 23 H GLY 23 40.756 5.089 -17.373 166 1HA GLY 23 1HA GLY 23 41.385 2.586 -15.984 167 2HA GLY 23 2HA GLY 23 41.545 4.090 -15.091 168 H ASN 24 H ASN 24 39.621 5.417 -14.845 169 HA ASN 24 HA ASN 24 37.107 3.922 -15.116 170 1HB ASN 24 1HB ASN 24 38.319 4.071 -12.727 171 2HB ASN 24 2HB ASN 24 37.441 5.597 -12.689 172 2HD2 ASN 24 1HD2 ASN 24 35.423 5.548 -12.009 173 1HD2 ASN 24 2HD2 ASN 24 34.428 4.141 -11.889 174 H LYS 25 H LYS 25 38.651 6.464 -16.183 175 HA LYS 25 HA LYS 25 36.397 8.332 -15.904 176 1HB LYS 25 1HB LYS 25 39.017 9.175 -17.059 177 2HB LYS 25 2HB LYS 25 37.855 10.106 -16.123 178 1HG LYS 25 1HG LYS 25 39.253 9.860 -14.415 179 2HG LYS 25 2HG LYS 25 38.696 8.188 -14.340 180 1HD LYS 25 1HD LYS 25 40.529 7.433 -15.654 181 2HD LYS 25 2HD LYS 25 40.994 9.084 -16.068 182 1HE LYS 25 1HE LYS 25 42.363 7.878 -14.275 183 2HE LYS 25 2HE LYS 25 41.812 9.516 -13.921 184 1HZ LYS 25 1HZ LYS 25 40.171 7.219 -13.094 185 2HZ LYS 25 2HZ LYS 25 41.517 7.656 -12.169 186 3HZ LYS 25 3HZ LYS 25 40.267 8.766 -12.416 187 H GLN 26 H GLN 26 37.315 9.918 -18.169 188 HA GLN 26 HA GLN 26 37.038 8.164 -20.466 189 1HB GLN 26 1HB GLN 26 34.761 9.327 -19.341 190 2HB GLN 26 2HB GLN 26 35.145 10.344 -20.723 191 1HG GLN 26 1HG GLN 26 34.985 8.523 -22.224 192 2HG GLN 26 2HG GLN 26 34.938 7.353 -20.906 193 2HE2 GLN 26 1HE2 GLN 26 33.010 6.625 -22.073 194 1HE2 GLN 26 2HE2 GLN 26 31.499 7.390 -21.735 195 H MET 27 H MET 27 37.747 9.065 -22.377 196 HA MET 27 HA MET 27 38.444 11.867 -22.523 197 1HB MET 27 1HB MET 27 40.455 9.728 -22.076 198 2HB MET 27 2HB MET 27 40.856 10.949 -23.277 199 1HG MET 27 1HG MET 27 39.971 12.472 -21.196 200 2HG MET 27 2HG MET 27 40.756 11.130 -20.366 201 1HE MET 27 1HE MET 27 41.513 13.563 -19.679 202 2HE MET 27 2HE MET 27 43.275 13.493 -19.713 203 3HE MET 27 3HE MET 27 42.419 14.641 -20.741 204 H LEU 28 H LEU 28 38.517 12.590 -24.614 205 HA LEU 28 HA LEU 28 37.605 10.750 -26.634 206 1HB LEU 28 1HB LEU 28 36.892 13.198 -26.322 207 2HB LEU 28 2HB LEU 28 38.404 13.605 -27.114 208 HG LEU 28 HG LEU 28 37.288 11.737 -28.816 209 1HD1 LEU 28 1HD1 LEU 28 35.186 12.924 -27.239 210 2HD1 LEU 28 2HD1 LEU 28 35.016 13.343 -28.944 211 3HD1 LEU 28 3HD1 LEU 28 35.099 11.650 -28.456 212 1HD2 LEU 28 1HD2 LEU 28 38.473 13.781 -29.443 213 2HD2 LEU 28 2HD2 LEU 28 36.940 13.640 -30.301 214 3HD2 LEU 28 3HD2 LEU 28 37.086 14.745 -28.934 215 H CYS 29 H CYS 29 38.956 9.480 -27.692 216 HA CYS 29 HA CYS 29 41.735 10.293 -28.076 217 1HB CYS 29 1HB CYS 29 40.259 7.691 -28.235 218 2HB CYS 29 2HB CYS 29 41.814 7.859 -29.041 219 H THR 30 H THR 30 42.638 10.715 -30.025 220 HA THR 30 HA THR 30 40.999 10.308 -32.435 221 HB THR 30 HB THR 30 42.523 12.843 -31.794 222 HG1 THR 30 HG1 THR 30 40.271 12.356 -30.905 223 1HG2 THR 30 1HG2 THR 30 40.994 12.014 -34.265 224 2HG2 THR 30 2HG2 THR 30 41.566 13.651 -33.945 225 3HG2 THR 30 3HG2 THR 30 42.725 12.337 -34.148 226 H CYS 31 H CYS 31 42.076 9.321 -34.021 227 HA CYS 31 HA CYS 31 44.971 9.048 -33.741 228 1HB CYS 31 1HB CYS 31 44.709 7.272 -35.499 229 2HB CYS 31 2HB CYS 31 43.873 6.948 -33.984 230 H LEU 32 H LEU 32 46.099 10.567 -34.697 231 HA LEU 32 HA LEU 32 45.123 11.989 -36.998 232 1HB LEU 32 1HB LEU 32 47.671 12.833 -36.791 233 2HB LEU 32 2HB LEU 32 46.346 13.493 -35.854 234 HG LEU 32 HG LEU 32 47.850 11.181 -34.725 235 1HD1 LEU 32 1HD1 LEU 32 49.235 13.393 -35.633 236 2HD1 LEU 32 2HD1 LEU 32 48.976 13.721 -33.920 237 3HD1 LEU 32 3HD1 LEU 32 49.779 12.234 -34.421 238 1HD2 LEU 32 1HD2 LEU 32 45.770 12.466 -33.774 239 2HD2 LEU 32 2HD2 LEU 32 47.076 11.953 -32.706 240 3HD2 LEU 32 3HD2 LEU 32 46.991 13.628 -33.254 241 H GLY 33 H GLY 33 48.492 11.046 -36.829 242 1HA GLY 33 1HA GLY 33 48.123 9.280 -39.149 243 2HA GLY 33 2HA GLY 33 49.237 10.629 -39.271 244 H ASN 34 H ASN 34 50.531 10.588 -36.889 245 HA ASN 34 HA ASN 34 52.222 8.273 -37.211 246 1HB ASN 34 1HB ASN 34 53.450 9.444 -35.230 247 2HB ASN 34 2HB ASN 34 53.488 10.183 -36.828 248 2HD2 ASN 34 1HD2 ASN 34 53.600 11.184 -33.956 249 1HD2 ASN 34 2HD2 ASN 34 52.466 12.488 -33.934 250 H GLY 35 H GLY 35 49.818 9.407 -34.945 251 1HA GLY 35 1HA GLY 35 49.687 6.788 -33.740 252 2HA GLY 35 2HA GLY 35 50.287 8.033 -32.654 253 H VAL 36 H VAL 36 48.550 7.972 -31.258 254 HA VAL 36 HA VAL 36 46.109 9.208 -32.303 255 HB VAL 36 HB VAL 36 46.082 6.837 -30.430 256 1HG1 VAL 36 1HG1 VAL 36 44.317 8.777 -30.310 257 2HG1 VAL 36 2HG1 VAL 36 43.654 7.966 -31.729 258 3HG1 VAL 36 3HG1 VAL 36 43.817 7.088 -30.208 259 1HG2 VAL 36 1HG2 VAL 36 45.626 7.105 -33.364 260 2HG2 VAL 36 2HG2 VAL 36 46.471 5.845 -32.466 261 3HG2 VAL 36 3HG2 VAL 36 44.709 5.908 -32.445 262 H SER 37 H SER 37 45.876 11.051 -31.258 263 HA SER 37 HA SER 37 46.750 11.229 -28.458 264 1HB SER 37 1HB SER 37 47.662 12.826 -30.256 265 2HB SER 37 2HB SER 37 46.065 13.573 -30.226 266 HG SER 37 HG SER 37 47.698 14.501 -28.783 267 H CYS 38 H CYS 38 45.313 11.556 -26.869 268 HA CYS 38 HA CYS 38 42.519 12.073 -27.652 269 1HB CYS 38 1HB CYS 38 43.151 10.844 -25.019 270 2HB CYS 38 2HB CYS 38 41.771 10.583 -26.077 271 H GLN 39 H GLN 39 41.196 13.163 -26.000 272 HA GLN 39 HA GLN 39 42.702 14.931 -24.218 273 1HB GLN 39 1HB GLN 39 41.463 16.897 -25.000 274 2HB GLN 39 2HB GLN 39 42.417 16.190 -26.297 275 1HG GLN 39 1HG GLN 39 40.617 15.715 -27.530 276 2HG GLN 39 2HG GLN 39 39.681 15.174 -26.138 277 2HE2 GLN 39 1HE2 GLN 39 41.163 18.256 -27.096 278 1HE2 GLN 39 2HE2 GLN 39 39.729 19.200 -26.909 279 H GLU 40 H GLU 40 41.391 15.902 -22.554 280 HA GLU 40 HA GLU 40 39.812 14.324 -21.099 281 1HB GLU 40 1HB GLU 40 40.300 17.109 -21.181 282 2HB GLU 40 2HB GLU 40 38.562 16.907 -21.016 283 1HG GLU 40 1HG GLU 40 40.319 15.292 -19.256 284 2HG GLU 40 2HG GLU 40 40.170 17.018 -18.926 285 H THR 41 H THR 41 37.952 13.275 -21.320 286 HA THR 41 HA THR 41 36.425 12.893 -23.445 287 HB THR 41 HB THR 41 36.088 12.074 -20.989 288 HG1 THR 41 HG1 THR 41 33.767 12.397 -22.596 289 1HG2 THR 41 1HG2 THR 41 34.003 14.253 -21.161 290 2HG2 THR 41 2HG2 THR 41 34.089 13.010 -19.913 291 3HG2 THR 41 3HG2 THR 41 35.372 14.212 -20.050 292 H ALA 42 H ALA 42 36.202 15.702 -21.380 293 HA ALA 42 HA ALA 42 35.500 17.834 -21.886 294 1HB ALA 42 1HB ALA 42 35.581 16.658 -24.428 295 2HB ALA 42 2HB ALA 42 33.999 17.426 -24.297 296 3HB ALA 42 3HB ALA 42 35.465 18.373 -24.038 297 H VAL 43 H VAL 43 34.003 18.226 -20.388 298 HA VAL 43 HA VAL 43 31.252 17.320 -20.923 299 HB VAL 43 HB VAL 43 30.842 16.974 -18.591 300 1HG1 VAL 43 1HG1 VAL 43 32.747 15.485 -20.059 301 2HG1 VAL 43 2HG1 VAL 43 33.285 15.527 -18.380 302 3HG1 VAL 43 3HG1 VAL 43 31.676 14.926 -18.775 303 1HG2 VAL 43 1HG2 VAL 43 33.563 18.185 -18.225 304 2HG2 VAL 43 2HG2 VAL 43 32.031 18.662 -17.492 305 3HG2 VAL 43 3HG2 VAL 43 32.827 17.174 -16.980 306 H THR 44 H THR 44 30.021 18.649 -18.817 307 HA THR 44 HA THR 44 30.775 21.383 -18.648 308 HB THR 44 HB THR 44 28.208 21.276 -20.093 309 HG1 THR 44 HG1 THR 44 29.001 20.665 -21.992 310 1HG2 THR 44 1HG2 THR 44 30.625 23.039 -19.963 311 2HG2 THR 44 2HG2 THR 44 29.476 23.209 -21.289 312 3HG2 THR 44 3HG2 THR 44 28.939 23.427 -19.623 313 H GLN 45 H GLN 45 28.882 22.723 -17.751 314 HA GLN 45 HA GLN 45 27.907 21.406 -15.442 315 1HB GLN 45 1HB GLN 45 26.938 24.043 -16.547 316 2HB GLN 45 2HB GLN 45 26.876 23.497 -14.877 317 1HG GLN 45 2HG GLN 45 28.638 25.040 -14.986 318 2HG GLN 45 1HG GLN 45 29.271 24.337 -16.472 319 2HE2 GLN 45 1HE2 GLN 45 31.305 23.959 -15.682 320 1HE2 GLN 45 2HE2 GLN 45 31.643 22.771 -14.474 321 H THR 46 H THR 46 25.384 22.084 -14.960 322 HA THR 46 HA THR 46 23.641 21.419 -17.163 323 HB THR 46 HB THR 46 22.668 19.424 -16.150 324 HG1 THR 46 HG1 THR 46 24.815 19.231 -14.339 325 1HG2 THR 46 1HG2 THR 46 24.714 19.352 -17.711 326 2HG2 THR 46 2HG2 THR 46 25.627 18.926 -16.263 327 3HG2 THR 46 3HG2 THR 46 24.307 17.891 -16.809 328 H TYR 47 H TYR 47 21.431 21.745 -16.691 329 HA TYR 47 HA TYR 47 20.457 22.368 -14.112 330 1HB TYR 47 1HB TYR 47 20.240 24.728 -14.192 331 2HB TYR 47 2HB TYR 47 21.912 24.386 -14.622 332 HD1 TYR 47 HD1 TYR 47 21.249 23.476 -17.506 333 HD2 TYR 47 HD2 TYR 47 20.150 26.890 -15.217 334 HE1 TYR 47 HE1 TYR 47 20.983 24.773 -19.578 335 HE2 TYR 47 HE2 TYR 47 19.878 28.196 -17.283 336 HH TYR 47 HH TYR 47 20.423 26.725 -20.472 337 H GLY 48 H GLY 48 18.262 22.363 -14.083 338 1HA GLY 48 1HA GLY 48 16.094 22.302 -14.860 339 2HA GLY 48 2HA GLY 48 16.661 23.049 -16.346 340 H GLY 49 H GLY 49 16.637 21.851 -18.136 341 1HA GLY 49 1HA GLY 49 16.180 20.034 -19.480 342 2HA GLY 49 2HA GLY 49 17.420 19.259 -18.504 343 H ASN 50 H ASN 50 16.546 17.239 -18.381 344 HA ASN 50 HA ASN 50 13.901 17.033 -17.099 345 1HB ASN 50 1HB ASN 50 14.642 15.976 -19.524 346 2HB ASN 50 2HB ASN 50 14.904 14.618 -18.433 347 2HD2 ASN 50 1HD2 ASN 50 12.891 15.113 -20.551 348 1HD2 ASN 50 2HD2 ASN 50 11.361 14.878 -19.783 349 H SER 51 H SER 51 17.221 16.454 -16.772 350 HA SER 51 HA SER 51 16.769 14.481 -14.636 351 1HB SER 51 1HB SER 51 18.988 14.957 -16.542 352 2HB SER 51 2HB SER 51 19.457 14.488 -14.909 353 HG SER 51 HG SER 51 17.425 12.950 -15.734 354 H ASN 52 H ASN 52 16.779 17.638 -14.826 355 HA ASN 52 HA ASN 52 17.321 19.390 -13.477 356 1HB ASN 52 1HB ASN 52 16.022 18.064 -11.876 357 2HB ASN 52 2HB ASN 52 17.474 17.184 -11.413 358 2HD2 ASN 52 1HD2 ASN 52 17.440 17.800 -9.293 359 1HD2 ASN 52 2HD2 ASN 52 17.734 19.420 -8.771 360 H GLY 53 H GLY 53 19.528 17.681 -14.724 361 1HA GLY 53 1HA GLY 53 21.789 18.324 -14.925 362 2HA GLY 53 2HA GLY 53 21.703 19.041 -13.323 363 H GLU 54 H GLU 54 22.040 16.043 -15.112 364 HA GLU 54 HA GLU 54 23.459 14.905 -12.831 365 1HB GLU 54 1HB GLU 54 21.083 13.672 -14.185 366 2HB GLU 54 2HB GLU 54 22.265 12.695 -13.328 367 1HG GLU 54 1HG GLU 54 21.308 14.998 -11.816 368 2HG GLU 54 2HG GLU 54 20.059 13.829 -12.223 369 HA PRO 55 HA PRO 55 26.508 13.204 -15.497 370 1HB PRO 55 1HB PRO 55 25.489 10.480 -14.798 371 2HB PRO 55 2HB PRO 55 27.146 11.095 -14.794 372 1HG PRO 55 1HG PRO 55 25.796 10.812 -12.515 373 2HG PRO 55 2HG PRO 55 26.874 12.197 -12.772 374 1HD PRO 55 2HD PRO 55 24.985 13.413 -12.315 375 2HD PRO 55 1HD PRO 55 23.904 12.083 -12.774 376 H CYS 56 H CYS 56 26.563 12.960 -17.645 377 HA CYS 56 HA CYS 56 24.137 12.219 -19.044 378 1HB CYS 56 1HB CYS 56 26.745 12.907 -20.369 379 2HB CYS 56 2HB CYS 56 25.109 13.150 -20.966 380 H VAL 57 H VAL 57 24.671 10.945 -21.218 381 HA VAL 57 HA VAL 57 26.333 8.611 -20.578 382 HB VAL 57 HB VAL 57 23.919 8.152 -20.037 383 1HG1 VAL 57 1HG1 VAL 57 23.384 9.467 -22.358 384 2HG1 VAL 57 2HG1 VAL 57 23.227 7.784 -22.860 385 3HG1 VAL 57 3HG1 VAL 57 22.259 8.398 -21.521 386 1HG2 VAL 57 1HG2 VAL 57 25.644 6.422 -20.702 387 2HG2 VAL 57 2HG2 VAL 57 23.957 5.958 -20.918 388 3HG2 VAL 57 3HG2 VAL 57 24.920 6.452 -22.310 389 H LEU 58 H LEU 58 27.527 10.205 -22.157 390 HA LEU 58 HA LEU 58 26.827 9.476 -24.921 391 1HB LEU 58 1HB LEU 58 28.705 11.442 -25.178 392 2HB LEU 58 2HB LEU 58 26.971 11.675 -25.267 393 HG LEU 58 HG LEU 58 28.047 13.336 -23.829 394 1HD1 LEU 58 1HD1 LEU 58 25.744 12.010 -23.355 395 2HD1 LEU 58 2HD1 LEU 58 26.587 11.766 -21.825 396 3HD1 LEU 58 3HD1 LEU 58 26.302 13.400 -22.423 397 1HD2 LEU 58 1HD2 LEU 58 29.242 10.931 -22.643 398 2HD2 LEU 58 2HD2 LEU 58 29.850 12.584 -22.720 399 3HD2 LEU 58 3HD2 LEU 58 28.675 12.133 -21.484 400 HA PRO 59 HA PRO 59 28.338 10.503 -26.743 401 1HB PRO 59 1HB PRO 59 29.161 8.447 -28.648 402 2HB PRO 59 2HB PRO 59 29.604 10.155 -28.591 403 1HG PRO 59 1HG PRO 59 31.374 8.191 -28.031 404 2HG PRO 59 2HG PRO 59 31.427 9.777 -27.238 405 1HD PRO 59 1HD PRO 59 30.331 7.185 -26.211 406 2HD PRO 59 2HD PRO 59 31.307 8.407 -25.367 407 H PHE 60 H PHE 60 26.300 10.383 -27.497 408 HA PHE 60 HA PHE 60 24.999 7.736 -27.479 409 1HB PHE 60 1HB PHE 60 22.876 9.071 -27.055 410 2HB PHE 60 2HB PHE 60 24.032 9.012 -25.728 411 HD1 PHE 60 HD1 PHE 60 22.866 11.118 -28.543 412 HD2 PHE 60 HD2 PHE 60 24.891 10.973 -24.804 413 HE1 PHE 60 HE1 PHE 60 22.908 13.578 -28.474 414 HE2 PHE 60 HE2 PHE 60 24.934 13.431 -24.727 415 HZ PHE 60 HZ PHE 60 23.944 14.735 -26.566 416 H THR 61 H THR 61 22.679 8.237 -28.728 417 HA THR 61 HA THR 61 23.419 9.365 -31.345 418 HB THR 61 HB THR 61 21.532 7.080 -31.342 419 HG1 THR 61 HG1 THR 61 23.132 6.245 -29.983 420 1HG2 THR 61 1HG2 THR 61 22.268 8.326 -33.379 421 2HG2 THR 61 2HG2 THR 61 23.901 7.721 -33.099 422 3HG2 THR 61 3HG2 THR 61 22.590 6.594 -33.444 423 H TYR 62 H TYR 62 22.076 10.913 -31.968 424 HA TYR 62 HA TYR 62 19.238 10.723 -31.288 425 1HB TYR 62 1HB TYR 62 20.148 12.139 -29.543 426 2HB TYR 62 2HB TYR 62 20.971 13.139 -30.737 427 HD1 TYR 62 HD1 TYR 62 17.564 12.037 -29.709 428 HD2 TYR 62 HD2 TYR 62 19.928 15.051 -31.558 429 HE1 TYR 62 HE1 TYR 62 15.589 13.498 -29.837 430 HE2 TYR 62 HE2 TYR 62 17.961 16.521 -31.692 431 HH TYR 62 HH TYR 62 15.411 16.344 -29.998 432 H ASN 63 H ASN 63 17.931 11.305 -32.918 433 HA ASN 63 HA ASN 63 17.212 12.112 -34.923 434 1HB ASN 63 1HB ASN 63 18.999 14.072 -33.995 435 2HB ASN 63 2HB ASN 63 19.439 13.789 -35.677 436 2HD2 ASN 63 1HD2 ASN 63 18.284 16.153 -34.545 437 1HD2 ASN 63 2HD2 ASN 63 16.768 16.402 -35.333 438 H GLY 64 H GLY 64 19.692 10.137 -34.465 439 1HA GLY 64 1HA GLY 64 20.162 8.452 -36.122 440 2HA GLY 64 2HA GLY 64 20.046 9.698 -37.356 441 H ARG 65 H ARG 65 21.662 11.400 -35.298 442 HA ARG 65 HA ARG 65 24.262 10.505 -36.304 443 1HB ARG 65 1HB ARG 65 25.038 12.777 -35.665 444 2HB ARG 65 2HB ARG 65 23.723 12.795 -36.831 445 1HG ARG 65 1HG ARG 65 22.925 12.944 -34.002 446 2HG ARG 65 2HG ARG 65 23.799 14.339 -34.639 447 1HD ARG 65 1HD ARG 65 21.603 13.227 -36.290 448 2HD ARG 65 2HD ARG 65 21.154 14.098 -34.825 449 HE ARG 65 HE ARG 65 22.830 15.830 -35.938 450 1HH1 ARG 65 1HH1 ARG 65 20.250 13.966 -37.349 451 2HH1 ARG 65 2HH1 ARG 65 19.887 15.146 -38.564 452 1HH2 ARG 65 1HH2 ARG 65 22.364 17.389 -37.535 453 2HH2 ARG 65 2HH2 ARG 65 21.091 17.092 -38.671 454 H THR 66 H THR 66 25.970 11.671 -34.501 455 HA THR 66 HA THR 66 25.299 10.489 -31.900 456 HB THR 66 HB THR 66 27.932 10.004 -33.301 457 HG1 THR 66 HG1 THR 66 26.604 8.620 -34.311 458 1HG2 THR 66 1HG2 THR 66 27.445 10.023 -30.628 459 2HG2 THR 66 2HG2 THR 66 27.099 8.340 -31.024 460 3HG2 THR 66 3HG2 THR 66 28.676 9.029 -31.406 461 H PHE 67 H PHE 67 26.302 11.429 -30.124 462 HA PHE 67 HA PHE 67 28.095 13.696 -30.625 463 1HB PHE 67 2HB PHE 67 26.831 15.229 -29.396 464 2HB PHE 67 1HB PHE 67 25.886 13.968 -28.610 465 HD1 PHE 67 HD1 PHE 67 24.396 12.531 -30.230 466 HD2 PHE 67 HD2 PHE 67 25.862 16.431 -31.095 467 HE1 PHE 67 HE1 PHE 67 22.600 12.835 -31.883 468 HE2 PHE 67 HE2 PHE 67 24.068 16.742 -32.751 469 HZ PHE 67 HZ PHE 67 22.434 14.944 -33.145 470 H TYR 68 H TYR 68 29.845 13.546 -29.393 471 HA TYR 68 HA TYR 68 29.937 11.657 -27.211 472 1HB TYR 68 1HB TYR 68 32.032 13.474 -28.420 473 2HB TYR 68 2HB TYR 68 32.352 12.354 -27.102 474 HD1 TYR 68 HD1 TYR 68 30.443 12.020 -30.307 475 HD2 TYR 68 HD2 TYR 68 33.627 10.598 -27.876 476 HE1 TYR 68 HE1 TYR 68 30.871 10.224 -31.928 477 HE2 TYR 68 HE2 TYR 68 34.065 8.797 -29.484 478 HH TYR 68 HH TYR 68 32.259 7.603 -31.447 479 H SER 69 H SER 69 28.662 14.581 -27.304 480 HA SER 69 HA SER 69 28.956 15.020 -24.496 481 1HB SER 69 1HB SER 69 31.050 16.065 -25.577 482 2HB SER 69 2HB SER 69 29.950 17.286 -26.213 483 HG SER 69 HG SER 69 30.223 18.197 -24.342 484 H CYS 70 H CYS 70 28.182 17.697 -24.384 485 HA CYS 70 HA CYS 70 25.413 17.491 -24.827 486 1HB CYS 70 2HB CYS 70 25.332 19.831 -24.122 487 2HB CYS 70 1HB CYS 70 27.071 19.972 -24.331 488 H THR 71 H THR 71 24.136 19.134 -26.105 489 HA THR 71 HA THR 71 25.346 20.323 -28.409 490 HB THR 71 HB THR 71 25.304 17.894 -29.054 491 HG1 THR 71 HG1 THR 71 25.062 19.803 -30.538 492 1HG2 THR 71 1HG2 THR 71 22.593 18.153 -28.150 493 2HG2 THR 71 2HG2 THR 71 22.608 17.670 -29.845 494 3HG2 THR 71 3HG2 THR 71 23.465 16.701 -28.645 495 H THR 72 H THR 72 23.436 20.800 -30.088 496 HA THR 72 HA THR 72 20.986 21.483 -28.636 497 HB THR 72 HB THR 72 21.137 23.755 -29.952 498 HG1 THR 72 HG1 THR 72 23.895 23.162 -29.520 499 1HG2 THR 72 1HG2 THR 72 21.325 23.110 -27.371 500 2HG2 THR 72 2HG2 THR 72 22.962 23.715 -27.612 501 3HG2 THR 72 3HG2 THR 72 21.581 24.758 -27.949 502 H GLU 73 H GLU 73 20.827 19.460 -30.250 503 HA GLU 73 HA GLU 73 19.910 20.487 -32.854 504 1HB GLU 73 1HB GLU 73 21.359 18.061 -32.052 505 2HB GLU 73 2HB GLU 73 20.024 17.767 -33.159 506 1HG GLU 73 1HG GLU 73 21.930 19.954 -33.791 507 2HG GLU 73 2HG GLU 73 22.447 18.284 -34.027 508 H GLY 74 H GLY 74 18.812 19.412 -29.902 509 1HA GLY 74 1HA GLY 74 16.377 18.204 -31.014 510 2HA GLY 74 2HA GLY 74 16.895 18.105 -29.338 511 H ARG 75 H ARG 75 17.477 21.190 -29.986 512 HA ARG 75 HA ARG 75 14.726 22.053 -29.371 513 1HB ARG 75 1HB ARG 75 15.852 23.926 -28.063 514 2HB ARG 75 2HB ARG 75 15.909 22.322 -27.348 515 1HG ARG 75 1HG ARG 75 18.188 23.009 -29.072 516 2HG ARG 75 2HG ARG 75 18.037 23.959 -27.593 517 1HD ARG 75 1HD ARG 75 19.379 21.709 -27.610 518 2HD ARG 75 2HD ARG 75 18.375 22.146 -26.230 519 HE ARG 75 HE ARG 75 17.828 20.074 -28.212 520 1HH1 ARG 75 1HH1 ARG 75 16.768 21.850 -25.399 521 2HH1 ARG 75 2HH1 ARG 75 15.579 20.674 -24.953 522 1HH2 ARG 75 1HH2 ARG 75 16.261 18.531 -27.626 523 2HH2 ARG 75 2HH2 ARG 75 15.290 18.792 -26.215 524 H GLN 76 H GLN 76 14.312 24.362 -29.883 525 HA GLN 76 HA GLN 76 15.714 25.115 -32.360 526 1HB GLN 76 2HB GLN 76 13.707 26.074 -33.162 527 2HB GLN 76 1HB GLN 76 12.966 26.054 -31.567 528 1HG GLN 76 1HG GLN 76 13.724 23.406 -32.501 529 2HG GLN 76 2HG GLN 76 12.200 23.981 -31.827 530 2HE2 GLN 76 1HE2 GLN 76 14.090 24.642 -34.763 531 1HE2 GLN 76 2HE2 GLN 76 12.779 24.413 -35.863 532 H ASP 77 H ASP 77 16.000 25.814 -29.313 533 HA ASP 77 HA ASP 77 15.921 28.732 -29.573 534 1HB ASP 77 1HB ASP 77 16.554 28.450 -27.014 535 2HB ASP 77 2HB ASP 77 14.889 28.299 -27.567 536 H GLY 78 H GLY 78 18.067 26.536 -27.788 537 1HA GLY 78 1HA GLY 78 20.387 26.526 -29.042 538 2HA GLY 78 2HA GLY 78 20.332 28.212 -28.558 539 H HIS 79 H HIS 79 19.253 25.351 -26.777 540 HA HIS 79 HA HIS 79 21.195 26.054 -24.676 541 1HB HIS 79 2HB HIS 79 19.679 25.256 -23.036 542 2HB HIS 79 1HB HIS 79 18.662 24.477 -24.243 543 HD1 HIS 79 HD1 HIS 79 16.632 25.741 -24.861 544 HD2 HIS 79 HD2 HIS 79 19.611 28.229 -23.377 545 HE1 HIS 79 HE1 HIS 79 15.610 28.037 -24.776 546 HE2 HIS 79 HE2 HIS 79 17.456 29.540 -23.952 547 H LEU 80 H LEU 80 22.833 24.693 -24.513 548 HA LEU 80 HA LEU 80 23.016 22.246 -25.861 549 1HB LEU 80 1HB LEU 80 24.586 23.519 -23.647 550 2HB LEU 80 2HB LEU 80 24.946 21.881 -24.153 551 HG LEU 80 HG LEU 80 25.336 22.728 -26.463 552 1HD1 LEU 80 1HD1 LEU 80 24.507 25.246 -25.163 553 2HD1 LEU 80 2HD1 LEU 80 25.864 25.346 -26.286 554 3HD1 LEU 80 3HD1 LEU 80 24.314 24.709 -26.832 555 1HD2 LEU 80 1HD2 LEU 80 26.968 23.748 -24.160 556 2HD2 LEU 80 2HD2 LEU 80 27.274 22.355 -25.199 557 3HD2 LEU 80 3HD2 LEU 80 27.464 23.990 -25.835 558 H TRP 81 H TRP 81 22.865 20.119 -25.179 559 HA TRP 81 HA TRP 81 21.968 19.553 -22.473 560 1HB TRP 81 1HB TRP 81 20.013 18.243 -23.303 561 2HB TRP 81 2HB TRP 81 19.859 19.978 -23.563 562 HD1 TRP 81 HD1 TRP 81 20.296 20.842 -26.142 563 HE1 TRP 81 HE1 TRP 81 19.815 19.650 -28.369 564 HE3 TRP 81 HE3 TRP 81 19.922 16.038 -24.431 565 HZ2 TRP 81 HZ2 TRP 81 19.336 17.021 -29.284 566 HZ3 TRP 81 HZ3 TRP 81 19.450 14.244 -26.048 567 HH2 TRP 81 HH2 TRP 81 19.163 14.728 -28.423 568 H CYS 82 H CYS 82 21.854 17.228 -22.037 569 HA CYS 82 HA CYS 82 23.327 15.533 -23.905 570 1HB CYS 82 1HB CYS 82 24.929 14.821 -22.280 571 2HB CYS 82 2HB CYS 82 24.949 16.581 -22.280 572 H SER 83 H SER 83 22.941 13.311 -23.645 573 HA SER 83 HA SER 83 20.421 12.707 -22.363 574 1HB SER 83 1HB SER 83 20.369 11.438 -24.230 575 2HB SER 83 2HB SER 83 22.122 11.479 -24.413 576 HG SER 83 HG SER 83 20.604 9.496 -23.499 577 H THR 84 H THR 84 20.088 11.330 -20.642 578 HA THR 84 HA THR 84 22.483 10.729 -19.053 579 HB THR 84 HB THR 84 20.866 10.446 -17.150 580 HG1 THR 84 HG1 THR 84 19.038 11.560 -19.035 581 1HG2 THR 84 1HG2 THR 84 22.093 12.635 -17.890 582 2HG2 THR 84 2HG2 THR 84 20.468 13.174 -18.314 583 3HG2 THR 84 3HG2 THR 84 20.838 12.708 -16.653 584 H THR 85 H THR 85 20.048 9.276 -20.917 585 HA THR 85 HA THR 85 20.721 6.630 -19.807 586 HB THR 85 HB THR 85 18.099 7.760 -20.677 587 HG1 THR 85 HG1 THR 85 17.722 5.928 -18.922 588 1HG2 THR 85 1HG2 THR 85 18.798 4.830 -20.934 589 2HG2 THR 85 2HG2 THR 85 17.172 5.507 -21.038 590 3HG2 THR 85 3HG2 THR 85 18.379 5.921 -22.255 591 H SER 86 H SER 86 21.578 5.182 -21.187 592 HA SER 86 HA SER 86 22.688 5.805 -23.591 593 1HB SER 86 1HB SER 86 22.946 3.650 -22.219 594 2HB SER 86 2HB SER 86 21.533 3.060 -23.094 595 HG SER 86 HG SER 86 23.498 4.157 -24.683 596 H ASN 87 H ASN 87 19.473 4.416 -23.066 597 HA ASN 87 HA ASN 87 18.831 4.759 -25.894 598 1HB ASN 87 1HB ASN 87 18.100 2.863 -23.972 599 2HB ASN 87 2HB ASN 87 16.644 3.822 -24.229 600 2HD2 ASN 87 1HD2 ASN 87 15.998 4.145 -26.502 601 1HD2 ASN 87 2HD2 ASN 87 16.233 2.839 -27.607 602 H TYR 88 H TYR 88 18.933 7.109 -25.723 603 HA TYR 88 HA TYR 88 17.103 8.536 -24.071 604 1HB TYR 88 1HB TYR 88 19.001 9.763 -24.724 605 2HB TYR 88 2HB TYR 88 18.842 9.284 -26.410 606 HD1 TYR 88 HD1 TYR 88 16.672 10.128 -27.617 607 HD2 TYR 88 HD2 TYR 88 18.268 11.862 -24.075 608 HE1 TYR 88 HE1 TYR 88 15.460 12.213 -28.098 609 HE2 TYR 88 HE2 TYR 88 17.061 13.951 -24.546 610 HH TYR 88 HH TYR 88 16.114 15.017 -26.996 611 H GLU 89 H GLU 89 16.957 7.057 -27.192 612 HA GLU 89 HA GLU 89 14.742 8.482 -28.215 613 1HB GLU 89 2HB GLU 89 14.640 6.830 -29.915 614 2HB GLU 89 1HB GLU 89 15.411 5.625 -28.894 615 1HG GLU 89 1HG GLU 89 17.126 7.906 -29.221 616 2HG GLU 89 2HG GLU 89 17.421 6.210 -29.603 617 H GLN 90 H GLN 90 15.053 6.166 -25.765 618 HA GLN 90 HA GLN 90 12.198 5.488 -25.882 619 1HB GLN 90 1HB GLN 90 13.165 3.431 -25.708 620 2HB GLN 90 2HB GLN 90 14.616 4.061 -24.942 621 1HG GLN 90 1HG GLN 90 13.499 2.644 -23.389 622 2HG GLN 90 2HG GLN 90 13.326 4.310 -22.836 623 2HE2 GLN 90 1HE2 GLN 90 11.395 4.777 -22.102 624 1HE2 GLN 90 2HE2 GLN 90 9.902 4.080 -22.624 625 H ASP 91 H ASP 91 14.755 6.445 -23.620 626 HA ASP 91 HA ASP 91 12.910 7.016 -21.500 627 1HB ASP 91 1HB ASP 91 15.778 6.890 -21.833 628 2HB ASP 91 2HB ASP 91 15.324 8.360 -20.975 629 H GLN 92 H GLN 92 14.905 8.998 -23.669 630 HA GLN 92 HA GLN 92 14.614 11.105 -24.484 631 1HB GLN 92 2HB GLN 92 12.431 12.108 -24.504 632 2HB GLN 92 1HB GLN 92 11.885 11.071 -23.192 633 1HG GLN 92 1HG GLN 92 12.467 9.152 -24.870 634 2HG GLN 92 2HG GLN 92 10.939 10.025 -24.983 635 2HE2 GLN 92 1HE2 GLN 92 10.722 11.649 -26.593 636 1HE2 GLN 92 2HE2 GLN 92 11.687 11.603 -28.026 637 H LYS 93 H LYS 93 15.301 10.366 -21.556 638 HA LYS 93 HA LYS 93 14.815 12.975 -20.326 639 1HB LYS 93 1HB LYS 93 14.677 11.880 -18.382 640 2HB LYS 93 2HB LYS 93 14.746 10.389 -19.302 641 1HG LYS 93 1HG LYS 93 17.284 11.715 -18.463 642 2HG LYS 93 2HG LYS 93 16.351 10.780 -17.300 643 1HD LYS 93 1HD LYS 93 16.356 9.021 -19.293 644 2HD LYS 93 2HD LYS 93 17.845 9.874 -19.700 645 1HE LYS 93 1HE LYS 93 17.311 7.976 -17.574 646 2HE LYS 93 2HE LYS 93 18.850 8.535 -18.224 647 1HZ LYS 93 1HZ LYS 93 18.420 10.618 -16.854 648 2HZ LYS 93 2HZ LYS 93 17.239 9.713 -16.045 649 3HZ LYS 93 3HZ LYS 93 18.857 9.217 -16.012 650 H TYR 94 H TYR 94 16.274 14.478 -20.707 651 HA TYR 94 HA TYR 94 19.113 13.696 -20.794 652 1HB TYR 94 1HB TYR 94 19.510 15.356 -22.496 653 2HB TYR 94 2HB TYR 94 18.187 14.324 -23.027 654 HD1 TYR 94 HD1 TYR 94 18.930 17.621 -21.478 655 HD2 TYR 94 HD2 TYR 94 16.107 15.251 -23.605 656 HE1 TYR 94 HE1 TYR 94 17.523 19.610 -21.819 657 HE2 TYR 94 HE2 TYR 94 14.694 17.233 -23.951 658 HH TYR 94 HH TYR 94 14.310 19.403 -23.044 659 H SER 95 H SER 95 20.415 15.957 -20.746 660 HA SER 95 HA SER 95 19.340 17.658 -18.623 661 1HB SER 95 2HB SER 95 20.766 16.927 -17.054 662 2HB SER 95 1HB SER 95 22.138 17.220 -18.125 663 HG SER 95 HG SER 95 21.664 15.139 -19.068 664 H PHE 96 H PHE 96 19.861 19.770 -18.861 665 HA PHE 96 HA PHE 96 20.987 20.634 -21.306 666 1HB PHE 96 1HB PHE 96 20.124 22.043 -18.800 667 2HB PHE 96 2HB PHE 96 20.935 22.925 -20.090 668 HD1 PHE 96 HD1 PHE 96 19.776 21.490 -22.443 669 HD2 PHE 96 HD2 PHE 96 17.977 22.959 -18.877 670 HE1 PHE 96 HE1 PHE 96 17.632 21.724 -23.627 671 HE2 PHE 96 HE2 PHE 96 15.828 23.192 -20.054 672 HZ PHE 96 HZ PHE 96 15.655 22.572 -22.431 673 H CYS 97 H CYS 97 22.675 22.530 -21.160 674 HA CYS 97 HA CYS 97 24.840 21.998 -19.310 675 1HB CYS 97 1HB CYS 97 25.391 21.802 -22.271 676 2HB CYS 97 2HB CYS 97 26.490 21.450 -20.943 677 H THR 98 H THR 98 24.324 24.152 -18.688 678 HA THR 98 HA THR 98 24.011 26.424 -20.027 679 HB THR 98 HB THR 98 24.884 27.629 -18.250 680 HG1 THR 98 HG1 THR 98 26.745 27.134 -17.225 681 1HG2 THR 98 1HG2 THR 98 23.409 25.429 -17.666 682 2HG2 THR 98 2HG2 THR 98 24.809 25.182 -16.622 683 3HG2 THR 98 3HG2 THR 98 23.859 26.663 -16.489 684 H ASP 99 H ASP 99 27.266 25.154 -19.360 685 HA ASP 99 HA ASP 99 29.203 25.260 -20.558 686 1HB ASP 99 1HB ASP 99 27.704 24.752 -22.519 687 2HB ASP 99 2HB ASP 99 27.589 26.487 -22.800 688 H HIS 100 H HIS 100 27.233 28.137 -21.331 689 HA HIS 100 HA HIS 100 28.832 29.904 -19.834 690 1HB HIS 100 1HB HIS 100 29.776 29.303 -22.515 691 2HB HIS 100 2HB HIS 100 29.422 31.017 -22.321 692 HD1 HIS 100 HD1 HIS 100 30.600 29.304 -19.277 693 HD2 HIS 100 HD2 HIS 100 32.256 31.418 -22.447 694 HE1 HIS 100 HE1 HIS 100 32.939 29.879 -18.552 695 HE2 HIS 100 HE2 HIS 100 33.885 31.246 -20.446 696 H THR 101 H THR 101 28.301 32.236 -20.355 697 HA THR 101 HA THR 101 25.625 32.452 -21.570 698 HB THR 101 HB THR 101 25.248 32.530 -19.209 699 HG1 THR 101 HG1 THR 101 24.705 34.546 -20.805 700 1HG2 THR 101 1HG2 THR 101 27.760 33.249 -18.849 701 2HG2 THR 101 2HG2 THR 101 27.055 34.866 -18.810 702 3HG2 THR 101 3HG2 THR 101 26.523 33.644 -17.656 No H/Q in entry = 702 Start of MODEL 7 1 H1 TYR 1 H1 TYR 1 53.308 2.322 -39.361 2 H2 TYR 1 H2 TYR 1 53.464 1.222 -38.085 3 H3 TYR 1 H3 TYR 1 54.334 0.987 -39.516 4 HA TYR 1 HA TYR 1 52.601 0.137 -40.640 5 1HB TYR 1 1HB TYR 1 52.530 -0.473 -37.788 6 2HB TYR 1 2HB TYR 1 50.971 -0.731 -38.563 7 HD1 TYR 1 HD1 TYR 1 54.581 -1.429 -39.266 8 HD2 TYR 1 HD2 TYR 1 50.571 -2.847 -39.377 9 HE1 TYR 1 HE1 TYR 1 55.376 -3.590 -40.126 10 HE2 TYR 1 HE2 TYR 1 51.355 -5.013 -40.237 11 HH TYR 1 HH TYR 1 53.922 -6.270 -39.992 12 H GLY 2 H GLY 2 51.383 2.255 -38.072 13 1HA GLY 2 1HA GLY 2 49.928 4.098 -38.851 14 2HA GLY 2 2HA GLY 2 49.099 2.901 -39.834 15 H HIS 3 H HIS 3 48.141 1.033 -38.551 16 HA HIS 3 HA HIS 3 46.121 1.836 -36.929 17 1HB HIS 3 1HB HIS 3 47.542 -0.730 -37.324 18 2HB HIS 3 2HB HIS 3 46.563 -0.613 -35.866 19 HD1 HIS 3 HD1 HIS 3 46.098 0.083 -39.584 20 HD2 HIS 3 HD2 HIS 3 44.005 -1.357 -36.296 21 HE1 HIS 3 HE1 HIS 3 43.847 -0.603 -40.469 22 HE2 HIS 3 HE2 HIS 3 42.570 -1.397 -38.447 23 H CYS 4 H CYS 4 45.768 2.193 -34.756 24 HA CYS 4 HA CYS 4 48.191 2.395 -33.109 25 1HB CYS 4 1HB CYS 4 45.610 3.949 -33.089 26 2HB CYS 4 2HB CYS 4 46.714 3.962 -31.733 27 H VAL 5 H VAL 5 47.553 2.336 -30.660 28 HA VAL 5 HA VAL 5 45.442 0.522 -29.956 29 HB VAL 5 HB VAL 5 48.040 -0.593 -29.106 30 1HG1 VAL 5 1HG1 VAL 5 45.297 -1.392 -29.367 31 2HG1 VAL 5 2HG1 VAL 5 46.345 -2.541 -30.197 32 3HG1 VAL 5 3HG1 VAL 5 46.611 -2.177 -28.491 33 1HG2 VAL 5 1HG2 VAL 5 48.361 0.006 -31.540 34 2HG2 VAL 5 2HG2 VAL 5 48.566 -1.698 -31.134 35 3HG2 VAL 5 3HG2 VAL 5 47.077 -1.148 -31.903 36 H THR 6 H THR 6 45.177 0.312 -27.681 37 HA THR 6 HA THR 6 46.387 2.518 -26.205 38 HB THR 6 HB THR 6 44.624 2.361 -24.670 39 HG1 THR 6 HG1 THR 6 44.165 0.397 -24.031 40 1HG2 THR 6 1HG2 THR 6 44.032 2.877 -27.170 41 2HG2 THR 6 2HG2 THR 6 43.136 1.362 -27.059 42 3HG2 THR 6 3HG2 THR 6 42.750 2.696 -25.973 43 H ASP 7 H ASP 7 47.301 -0.514 -26.786 44 HA ASP 7 HA ASP 7 48.975 -1.739 -25.788 45 1HB ASP 7 1HB ASP 7 49.137 0.566 -24.335 46 2HB ASP 7 2HB ASP 7 48.704 -0.598 -23.086 47 H SER 8 H SER 8 45.793 -1.377 -24.789 48 HA SER 8 HA SER 8 45.825 -3.565 -22.880 49 1HB SER 8 1HB SER 8 43.886 -1.502 -23.728 50 2HB SER 8 2HB SER 8 43.185 -3.061 -23.294 51 HG SER 8 HG SER 8 44.608 -1.240 -21.712 52 H GLY 9 H GLY 9 45.148 -3.004 -26.236 53 1HA GLY 9 1HA GLY 9 45.424 -5.290 -27.415 54 2HA GLY 9 2HA GLY 9 43.977 -5.689 -26.502 55 H VAL 10 H VAL 10 43.043 -2.837 -26.853 56 HA VAL 10 HA VAL 10 41.485 -3.289 -29.189 57 HB VAL 10 HB VAL 10 41.798 -0.636 -27.796 58 1HG1 VAL 10 1HG1 VAL 10 39.877 -1.846 -29.696 59 2HG1 VAL 10 2HG1 VAL 10 39.215 -0.800 -28.440 60 3HG1 VAL 10 3HG1 VAL 10 40.435 -0.179 -29.551 61 1HG2 VAL 10 1HG2 VAL 10 40.513 -3.136 -26.858 62 2HG2 VAL 10 2HG2 VAL 10 41.251 -1.825 -25.938 63 3HG2 VAL 10 3HG2 VAL 10 39.630 -1.632 -26.604 64 H VAL 11 H VAL 11 42.918 -3.507 -30.925 65 HA VAL 11 HA VAL 11 44.915 -1.610 -31.582 66 HB VAL 11 HB VAL 11 43.596 -3.229 -33.716 67 1HG1 VAL 11 1HG1 VAL 11 45.807 -1.684 -33.684 68 2HG1 VAL 11 2HG1 VAL 11 46.510 -3.252 -33.287 69 3HG1 VAL 11 3HG1 VAL 11 45.580 -3.053 -34.772 70 1HG2 VAL 11 1HG2 VAL 11 44.743 -4.303 -31.237 71 2HG2 VAL 11 2HG2 VAL 11 43.662 -5.056 -32.409 72 3HG2 VAL 11 3HG2 VAL 11 45.397 -5.004 -32.718 73 H TYR 12 H TYR 12 43.865 0.420 -31.396 74 HA TYR 12 HA TYR 12 41.632 1.097 -33.055 75 1HB TYR 12 1HB TYR 12 43.483 2.639 -31.268 76 2HB TYR 12 2HB TYR 12 42.397 3.494 -32.357 77 HD1 TYR 12 HD1 TYR 12 39.893 2.943 -32.189 78 HD2 TYR 12 HD2 TYR 12 42.725 1.893 -29.193 79 HE1 TYR 12 HE1 TYR 12 38.069 2.710 -30.556 80 HE2 TYR 12 HE2 TYR 12 40.908 1.656 -27.552 81 HH TYR 12 HH TYR 12 38.549 1.303 -27.452 82 H SER 13 H SER 13 41.993 0.912 -35.201 83 HA SER 13 HA SER 13 44.306 1.274 -36.616 84 1HB SER 13 1HB SER 13 41.852 2.321 -37.912 85 2HB SER 13 2HB SER 13 43.020 1.136 -38.499 86 HG SER 13 HG SER 13 40.657 0.709 -37.334 87 H VAL 14 H VAL 14 44.375 3.128 -38.427 88 HA VAL 14 HA VAL 14 44.715 5.601 -36.902 89 HB VAL 14 HB VAL 14 46.704 5.067 -38.030 90 1HG1 VAL 14 1HG1 VAL 14 44.880 4.051 -40.097 91 2HG1 VAL 14 2HG1 VAL 14 46.357 4.801 -40.704 92 3HG1 VAL 14 3HG1 VAL 14 46.454 3.451 -39.573 93 1HG2 VAL 14 1HG2 VAL 14 45.313 7.373 -38.708 94 2HG2 VAL 14 2HG2 VAL 14 47.043 7.088 -38.907 95 3HG2 VAL 14 3HG2 VAL 14 45.938 6.770 -40.244 96 H GLY 15 H GLY 15 42.346 5.896 -36.930 97 1HA GLY 15 1HA GLY 15 41.303 7.929 -38.148 98 2HA GLY 15 2HA GLY 15 41.319 6.833 -39.520 99 H MET 16 H MET 16 40.647 5.917 -36.188 100 HA MET 16 HA MET 16 37.982 5.053 -37.061 101 1HB MET 16 1HB MET 16 39.851 3.598 -35.807 102 2HB MET 16 2HB MET 16 39.037 4.267 -34.399 103 1HG MET 16 1HG MET 16 36.910 3.446 -35.826 104 2HG MET 16 2HG MET 16 38.115 2.273 -36.355 105 1HE MET 16 1HE MET 16 38.076 0.130 -35.397 106 2HE MET 16 2HE MET 16 39.499 0.676 -34.511 107 3HE MET 16 3HE MET 16 38.238 -0.234 -33.679 108 H GLN 17 H GLN 17 39.607 7.293 -35.014 109 HA GLN 17 HA GLN 17 38.887 8.754 -33.397 110 1HB GLN 17 1HB GLN 17 37.115 8.930 -35.734 111 2HB GLN 17 2HB GLN 17 36.431 9.610 -34.263 112 1HG GLN 17 1HG GLN 17 38.624 10.889 -34.039 113 2HG GLN 17 2HG GLN 17 38.925 10.417 -35.711 114 2HE2 GLN 17 1HE2 GLN 17 37.379 12.606 -33.652 115 1HE2 GLN 17 2HE2 GLN 17 36.479 13.473 -34.843 116 H TRP 18 H TRP 18 38.529 7.684 -31.525 117 HA TRP 18 HA TRP 18 35.786 6.711 -31.057 118 1HB TRP 18 1HB TRP 18 36.697 5.000 -29.578 119 2HB TRP 18 2HB TRP 18 37.414 4.856 -31.180 120 HD1 TRP 18 HD1 TRP 18 38.301 5.360 -27.573 121 HE1 TRP 18 HE1 TRP 18 40.851 5.584 -27.324 122 HE3 TRP 18 HE3 TRP 18 39.570 5.829 -32.512 123 HZ2 TRP 18 HZ2 TRP 18 43.101 5.925 -28.993 124 HZ3 TRP 18 HZ3 TRP 18 41.941 6.098 -33.095 125 HH2 TRP 18 HH2 TRP 18 43.670 6.143 -31.375 126 H LEU 19 H LEU 19 35.986 6.227 -28.352 127 HA LEU 19 HA LEU 19 36.894 8.692 -27.086 128 1HB LEU 19 1HB LEU 19 34.578 9.140 -27.794 129 2HB LEU 19 2HB LEU 19 34.038 7.726 -26.909 130 HG LEU 19 HG LEU 19 35.416 9.248 -25.018 131 1HD1 LEU 19 1HD1 LEU 19 35.188 11.066 -26.837 132 2HD1 LEU 19 2HD1 LEU 19 33.485 11.091 -26.373 133 3HD1 LEU 19 3HD1 LEU 19 34.732 11.456 -25.178 134 1HD2 LEU 19 1HD2 LEU 19 33.059 7.938 -25.206 135 2HD2 LEU 19 2HD2 LEU 19 33.504 8.989 -23.860 136 3HD2 LEU 19 3HD2 LEU 19 32.501 9.612 -25.172 137 H LYS 20 H LYS 20 37.564 8.393 -25.022 138 HA LYS 20 HA LYS 20 37.225 5.687 -23.913 139 1HB LYS 20 1HB LYS 20 39.317 6.118 -22.671 140 2HB LYS 20 2HB LYS 20 39.537 6.206 -24.414 141 1HG LYS 20 1HG LYS 20 39.409 8.666 -24.273 142 2HG LYS 20 2HG LYS 20 39.298 8.531 -22.517 143 1HD LYS 20 1HD LYS 20 41.556 7.185 -23.921 144 2HD LYS 20 2HD LYS 20 41.611 8.937 -23.709 145 1HE LYS 20 1HE LYS 20 42.505 8.481 -21.709 146 2HE LYS 20 2HE LYS 20 40.857 8.081 -21.226 147 1HZ LYS 20 1HZ LYS 20 41.430 5.758 -22.080 148 2HZ LYS 20 2HZ LYS 20 43.045 6.257 -22.002 149 3HZ LYS 20 3HZ LYS 20 42.096 6.237 -20.602 150 H THR 21 H THR 21 37.424 5.621 -21.469 151 HA THR 21 HA THR 21 36.142 7.941 -20.200 152 HB THR 21 HB THR 21 35.227 5.387 -19.112 153 HG1 THR 21 HG1 THR 21 33.705 5.157 -20.947 154 1HG2 THR 21 1HG2 THR 21 34.397 8.046 -19.182 155 2HG2 THR 21 2HG2 THR 21 33.199 7.176 -20.139 156 3HG2 THR 21 3HG2 THR 21 33.525 6.685 -18.478 157 H GLN 22 H GLN 22 36.799 8.366 -18.135 158 HA GLN 22 HA GLN 22 38.962 6.669 -17.101 159 1HB GLN 22 1HB GLN 22 38.309 9.583 -16.712 160 2HB GLN 22 2HB GLN 22 39.450 8.738 -15.676 161 1HG GLN 22 1HG GLN 22 40.299 8.098 -18.219 162 2HG GLN 22 2HG GLN 22 39.788 9.779 -18.359 163 2HE2 GLN 22 1HE2 GLN 22 42.078 10.141 -18.765 164 1HE2 GLN 22 2HE2 GLN 22 43.148 10.332 -17.421 165 H GLY 23 H GLY 23 36.022 6.245 -16.749 166 1HA GLY 23 1HA GLY 23 34.897 5.184 -15.004 167 2HA GLY 23 2HA GLY 23 36.135 5.743 -13.894 168 H ASN 24 H ASN 24 36.123 8.250 -13.685 169 HA ASN 24 HA ASN 24 33.337 9.020 -13.150 170 1HB ASN 24 1HB ASN 24 35.796 9.263 -11.638 171 2HB ASN 24 2HB ASN 24 35.018 10.830 -11.837 172 2HD2 ASN 24 1HD2 ASN 24 33.584 11.339 -10.361 173 1HD2 ASN 24 2HD2 ASN 24 32.687 10.231 -9.384 174 H LYS 25 H LYS 25 35.541 9.470 -15.480 175 HA LYS 25 HA LYS 25 34.469 12.116 -16.138 176 1HB LYS 25 2HB LYS 25 36.610 12.985 -16.771 177 2HB LYS 25 1HB LYS 25 37.385 11.430 -16.509 178 1HG LYS 25 1HG LYS 25 37.111 13.560 -14.697 179 2HG LYS 25 2HG LYS 25 36.089 12.252 -14.100 180 1HD LYS 25 1HD LYS 25 38.065 10.718 -14.428 181 2HD LYS 25 2HD LYS 25 39.036 12.164 -14.715 182 1HE LYS 25 1HE LYS 25 37.433 11.608 -12.221 183 2HE LYS 25 2HE LYS 25 39.172 11.367 -12.384 184 1HZ LYS 25 1HZ LYS 25 38.641 13.960 -13.212 185 2HZ LYS 25 2HZ LYS 25 37.764 13.738 -11.783 186 3HZ LYS 25 3HZ LYS 25 39.434 13.473 -11.798 187 H GLN 26 H GLN 26 35.347 12.670 -18.493 188 HA GLN 26 HA GLN 26 35.259 10.263 -20.165 189 1HB GLN 26 1HB GLN 26 33.084 12.026 -19.820 190 2HB GLN 26 2HB GLN 26 33.750 12.374 -21.410 191 1HG GLN 26 2HG GLN 26 33.672 9.602 -21.277 192 2HG GLN 26 1HG GLN 26 32.586 10.659 -22.177 193 2HE2 GLN 26 1HE2 GLN 26 31.103 8.839 -21.810 194 1HE2 GLN 26 2HE2 GLN 26 30.185 8.813 -20.347 195 H MET 27 H MET 27 36.452 10.383 -22.024 196 HA MET 27 HA MET 27 37.502 12.946 -22.906 197 1HB MET 27 1HB MET 27 38.998 11.497 -21.127 198 2HB MET 27 2HB MET 27 39.624 10.934 -22.670 199 1HG MET 27 1HG MET 27 39.514 13.656 -23.006 200 2HG MET 27 2HG MET 27 39.989 13.480 -21.318 201 1HE MET 27 1HE MET 27 42.252 12.753 -20.495 202 2HE MET 27 2HE MET 27 41.814 11.113 -20.972 203 3HE MET 27 3HE MET 27 43.390 11.770 -21.416 204 H LEU 28 H LEU 28 38.017 13.004 -25.057 205 HA LEU 28 HA LEU 28 37.300 10.611 -26.585 206 1HB LEU 28 1HB LEU 28 36.183 12.688 -27.190 207 2HB LEU 28 2HB LEU 28 37.730 13.470 -27.454 208 HG LEU 28 HG LEU 28 37.823 11.260 -29.127 209 1HD1 LEU 28 1HD1 LEU 28 35.045 12.128 -28.721 210 2HD1 LEU 28 2HD1 LEU 28 35.563 12.009 -30.403 211 3HD1 LEU 28 3HD1 LEU 28 35.684 10.606 -29.340 212 1HD2 LEU 28 1HD2 LEU 28 38.014 14.051 -29.269 213 2HD2 LEU 28 2HD2 LEU 28 38.469 12.877 -30.504 214 3HD2 LEU 28 3HD2 LEU 28 36.852 13.580 -30.509 215 H CYS 29 H CYS 29 38.682 9.567 -27.961 216 HA CYS 29 HA CYS 29 41.425 10.598 -28.164 217 1HB CYS 29 1HB CYS 29 41.128 8.779 -26.392 218 2HB CYS 29 2HB CYS 29 40.843 7.678 -27.734 219 H THR 30 H THR 30 42.635 9.853 -29.964 220 HA THR 30 HA THR 30 41.299 8.297 -32.013 221 HB THR 30 HB THR 30 41.953 11.201 -32.535 222 HG1 THR 30 HG1 THR 30 39.951 11.185 -31.668 223 1HG2 THR 30 1HG2 THR 30 41.087 8.968 -34.366 224 2HG2 THR 30 2HG2 THR 30 40.936 10.674 -34.788 225 3HG2 THR 30 3HG2 THR 30 42.529 9.976 -34.491 226 H CYS 31 H CYS 31 42.655 7.907 -33.903 227 HA CYS 31 HA CYS 31 45.522 8.093 -33.246 228 1HB CYS 31 1HB CYS 31 44.789 5.784 -33.327 229 2HB CYS 31 2HB CYS 31 44.021 6.039 -34.884 230 H LEU 32 H LEU 32 46.237 9.867 -34.293 231 HA LEU 32 HA LEU 32 45.240 10.604 -36.888 232 1HB LEU 32 1HB LEU 32 47.281 12.266 -36.625 233 2HB LEU 32 2HB LEU 32 45.768 12.512 -35.776 234 HG LEU 32 HG LEU 32 47.760 10.900 -34.323 235 1HD1 LEU 32 1HD1 LEU 32 48.419 13.530 -35.420 236 2HD1 LEU 32 2HD1 LEU 32 48.633 13.393 -33.674 237 3HD1 LEU 32 3HD1 LEU 32 49.467 12.275 -34.755 238 1HD2 LEU 32 1HD2 LEU 32 45.419 12.070 -33.686 239 2HD2 LEU 32 2HD2 LEU 32 46.686 11.715 -32.512 240 3HD2 LEU 32 3HD2 LEU 32 46.544 13.336 -33.193 241 H GLY 33 H GLY 33 48.672 10.877 -36.339 242 1HA GLY 33 1HA GLY 33 49.177 8.726 -38.277 243 2HA GLY 33 2HA GLY 33 49.779 10.339 -38.616 244 H ASN 34 H ASN 34 50.639 11.110 -36.103 245 HA ASN 34 HA ASN 34 53.128 9.703 -35.956 246 1HB ASN 34 1HB ASN 34 53.870 11.430 -34.602 247 2HB ASN 34 2HB ASN 34 52.603 12.238 -35.519 248 2HD2 ASN 34 1HD2 ASN 34 53.419 10.766 -32.451 249 1HD2 ASN 34 2HD2 ASN 34 52.201 11.568 -31.525 250 H GLY 35 H GLY 35 50.092 9.487 -34.380 251 1HA GLY 35 1HA GLY 35 50.593 7.080 -33.114 252 2HA GLY 35 2HA GLY 35 50.951 8.327 -31.930 253 H VAL 36 H VAL 36 49.328 8.726 -30.606 254 HA VAL 36 HA VAL 36 46.610 8.886 -31.668 255 HB VAL 36 HB VAL 36 47.505 7.025 -29.488 256 1HG1 VAL 36 1HG1 VAL 36 44.928 8.488 -29.671 257 2HG1 VAL 36 2HG1 VAL 36 44.890 6.790 -29.198 258 3HG1 VAL 36 3HG1 VAL 36 45.824 7.947 -28.251 259 1HG2 VAL 36 1HG2 VAL 36 46.321 6.818 -32.130 260 2HG2 VAL 36 2HG2 VAL 36 47.197 5.624 -31.173 261 3HG2 VAL 36 3HG2 VAL 36 45.471 5.867 -30.910 262 H SER 37 H SER 37 45.614 10.653 -30.947 263 HA SER 37 HA SER 37 46.594 11.885 -28.456 264 1HB SER 37 1HB SER 37 47.242 13.135 -30.526 265 2HB SER 37 2HB SER 37 45.527 13.362 -30.871 266 HG SER 37 HG SER 37 45.449 14.341 -28.697 267 H CYS 38 H CYS 38 45.131 12.187 -26.920 268 HA CYS 38 HA CYS 38 42.284 12.292 -27.671 269 1HB CYS 38 1HB CYS 38 42.701 11.218 -25.021 270 2HB CYS 38 2HB CYS 38 41.763 10.564 -26.341 271 H GLN 39 H GLN 39 41.101 13.847 -26.731 272 HA GLN 39 HA GLN 39 42.346 15.414 -24.572 273 1HB GLN 39 1HB GLN 39 41.223 17.428 -25.617 274 2HB GLN 39 2HB GLN 39 42.591 16.770 -26.505 275 1HG GLN 39 1HG GLN 39 40.593 15.410 -27.672 276 2HG GLN 39 2HG GLN 39 39.738 16.885 -27.225 277 2HE2 GLN 39 1HE2 GLN 39 42.123 18.537 -27.456 278 1HE2 GLN 39 2HE2 GLN 39 42.414 18.731 -29.148 279 H GLU 40 H GLU 40 40.850 16.523 -23.172 280 HA GLU 40 HA GLU 40 38.916 15.111 -22.006 281 1HB GLU 40 1HB GLU 40 39.347 18.010 -22.321 282 2HB GLU 40 2HB GLU 40 37.725 17.548 -21.824 283 1HG GLU 40 1HG GLU 40 39.902 16.224 -20.367 284 2HG GLU 40 2HG GLU 40 39.783 17.967 -20.131 285 H THR 41 H THR 41 36.815 14.532 -22.277 286 HA THR 41 HA THR 41 35.732 14.183 -24.777 287 HB THR 41 HB THR 41 34.936 13.090 -22.665 288 HG1 THR 41 HG1 THR 41 33.197 12.596 -23.768 289 1HG2 THR 41 1HG2 THR 41 33.492 15.719 -22.329 290 2HG2 THR 41 2HG2 THR 41 33.112 14.249 -21.432 291 3HG2 THR 41 3HG2 THR 41 34.687 15.019 -21.237 292 H ALA 42 H ALA 42 35.797 17.016 -22.852 293 HA ALA 42 HA ALA 42 35.270 18.894 -24.682 294 1HB ALA 42 1HB ALA 42 32.669 17.689 -23.796 295 2HB ALA 42 3HB ALA 42 33.229 18.038 -25.431 296 3HB ALA 42 2HB ALA 42 32.771 19.357 -24.356 297 H VAL 43 H VAL 43 34.616 17.773 -21.467 298 HA VAL 43 HA VAL 43 35.043 18.783 -19.461 299 HB VAL 43 HB VAL 43 36.567 20.322 -21.030 300 1HG1 VAL 43 1HG1 VAL 43 34.296 21.796 -21.167 301 2HG1 VAL 43 2HG1 VAL 43 35.109 22.554 -19.799 302 3HG1 VAL 43 3HG1 VAL 43 35.922 22.448 -21.360 303 1HG2 VAL 43 1HG2 VAL 43 35.870 20.465 -18.148 304 2HG2 VAL 43 2HG2 VAL 43 37.385 20.010 -18.928 305 3HG2 VAL 43 3HG2 VAL 43 36.926 21.709 -18.815 306 H THR 44 H THR 44 34.282 21.350 -18.584 307 HA THR 44 HA THR 44 32.477 22.698 -18.116 308 HB THR 44 HB THR 44 30.608 21.066 -19.785 309 HG1 THR 44 HG1 THR 44 32.151 23.097 -20.989 310 1HG2 THR 44 1HG2 THR 44 30.913 24.020 -19.236 311 2HG2 THR 44 2HG2 THR 44 29.670 23.304 -20.262 312 3HG2 THR 44 3HG2 THR 44 29.707 22.940 -18.537 313 H GLN 45 H GLN 45 30.487 22.556 -16.838 314 HA GLN 45 HA GLN 45 30.387 20.012 -15.373 315 1HB GLN 45 1HB GLN 45 29.389 22.734 -14.515 316 2HB GLN 45 2HB GLN 45 29.440 21.285 -13.521 317 1HG GLN 45 1HG GLN 45 32.026 21.455 -14.251 318 2HG GLN 45 2HG GLN 45 31.581 23.161 -14.247 319 2HE2 GLN 45 1HE2 GLN 45 29.616 22.941 -12.183 320 1HE2 GLN 45 2HE2 GLN 45 30.460 22.688 -10.697 321 H THR 46 H THR 46 28.076 19.874 -14.206 322 HA THR 46 HA THR 46 26.029 20.206 -16.300 323 HB THR 46 HB THR 46 25.043 18.070 -15.050 324 HG1 THR 46 HG1 THR 46 26.780 17.828 -13.607 325 1HG2 THR 46 1HG2 THR 46 26.454 18.555 -17.467 326 2HG2 THR 46 2HG2 THR 46 26.991 17.001 -16.828 327 3HG2 THR 46 3HG2 THR 46 25.276 17.288 -17.122 328 H TYR 47 H TYR 47 23.763 19.984 -15.356 329 HA TYR 47 HA TYR 47 23.184 20.370 -12.665 330 1HB TYR 47 1HB TYR 47 22.970 22.702 -12.370 331 2HB TYR 47 2HB TYR 47 24.540 22.488 -13.136 332 HD1 TYR 47 HD1 TYR 47 21.079 23.618 -13.641 333 HD2 TYR 47 HD2 TYR 47 24.957 23.304 -15.362 334 HE1 TYR 47 HE1 TYR 47 20.403 25.162 -15.430 335 HE2 TYR 47 HE2 TYR 47 24.291 24.850 -17.156 336 HH TYR 47 HH TYR 47 21.146 25.622 -17.841 337 H GLY 48 H GLY 48 20.955 21.035 -12.280 338 1HA GLY 48 1HA GLY 48 18.716 20.882 -12.749 339 2HA GLY 48 2HA GLY 48 19.108 21.744 -14.228 340 H GLY 49 H GLY 49 17.677 20.646 -15.526 341 1HA GLY 49 1HA GLY 49 17.328 19.023 -17.158 342 2HA GLY 49 2HA GLY 49 18.587 18.044 -16.418 343 H ASN 50 H ASN 50 17.188 16.218 -16.691 344 HA ASN 50 HA ASN 50 14.701 16.149 -15.216 345 1HB ASN 50 1HB ASN 50 15.051 14.955 -17.406 346 2HB ASN 50 2HB ASN 50 16.131 13.850 -16.563 347 2HD2 ASN 50 1HD2 ASN 50 13.443 13.585 -17.916 348 1HD2 ASN 50 2HD2 ASN 50 12.471 12.748 -16.760 349 H SER 51 H SER 51 17.983 15.565 -14.588 350 HA SER 51 HA SER 51 17.386 13.817 -12.311 351 1HB SER 51 1HB SER 51 19.171 13.006 -13.734 352 2HB SER 51 2HB SER 51 20.014 14.551 -13.623 353 HG SER 51 HG SER 51 20.513 14.136 -11.528 354 H ASN 52 H ASN 52 20.050 16.099 -12.573 355 HA ASN 52 HA ASN 52 19.111 18.200 -11.050 356 1HB ASN 52 1HB ASN 52 19.083 16.031 -9.429 357 2HB ASN 52 2HB ASN 52 20.719 16.611 -9.142 358 2HD2 ASN 52 1HD2 ASN 52 20.715 19.149 -8.950 359 1HD2 ASN 52 2HD2 ASN 52 19.567 19.764 -7.816 360 H GLY 53 H GLY 53 21.769 16.083 -11.854 361 1HA GLY 53 1HA GLY 53 23.456 17.811 -13.015 362 2HA GLY 53 2HA GLY 53 23.775 18.110 -11.313 363 H GLU 54 H GLU 54 22.982 15.009 -12.806 364 HA GLU 54 HA GLU 54 25.369 13.853 -11.636 365 1HB GLU 54 1HB GLU 54 23.001 12.694 -13.091 366 2HB GLU 54 2HB GLU 54 24.394 11.720 -12.656 367 1HG GLU 54 2HG GLU 54 23.062 11.315 -10.865 368 2HG GLU 54 1HG GLU 54 22.292 12.899 -10.937 369 HA PRO 55 HA PRO 55 28.019 13.521 -15.119 370 1HB PRO 55 2HB PRO 55 29.298 11.636 -14.886 371 2HB PRO 55 1HB PRO 55 27.904 10.559 -15.024 372 1HG PRO 55 1HG PRO 55 28.326 10.366 -12.748 373 2HG PRO 55 2HG PRO 55 28.942 12.026 -12.630 374 1HD PRO 55 2HD PRO 55 26.823 12.365 -11.763 375 2HD PRO 55 1HD PRO 55 26.113 11.053 -12.727 376 H CYS 56 H CYS 56 28.229 12.750 -17.353 377 HA CYS 56 HA CYS 56 25.594 12.311 -18.532 378 1HB CYS 56 1HB CYS 56 28.088 12.858 -20.110 379 2HB CYS 56 2HB CYS 56 26.418 13.236 -20.514 380 H VAL 57 H VAL 57 25.753 11.018 -20.708 381 HA VAL 57 HA VAL 57 27.408 8.623 -20.354 382 HB VAL 57 HB VAL 57 25.141 8.205 -19.385 383 1HG1 VAL 57 1HG1 VAL 57 24.332 9.381 -21.879 384 2HG1 VAL 57 2HG1 VAL 57 23.634 7.770 -21.706 385 3HG1 VAL 57 3HG1 VAL 57 23.362 8.988 -20.460 386 1HG2 VAL 57 1HG2 VAL 57 26.698 6.512 -20.649 387 2HG2 VAL 57 2HG2 VAL 57 25.077 6.036 -20.141 388 3HG2 VAL 57 3HG2 VAL 57 25.377 6.495 -21.818 389 H LEU 58 H LEU 58 28.358 10.164 -22.118 390 HA LEU 58 HA LEU 58 27.146 9.514 -24.719 391 1HB LEU 58 1HB LEU 58 29.106 11.358 -25.262 392 2HB LEU 58 2HB LEU 58 27.397 11.702 -25.090 393 HG LEU 58 HG LEU 58 28.754 13.274 -23.814 394 1HD1 LEU 58 1HD1 LEU 58 26.521 11.969 -22.935 395 2HD1 LEU 58 2HD1 LEU 58 27.622 11.792 -21.570 396 3HD1 LEU 58 3HD1 LEU 58 27.233 13.398 -22.187 397 1HD2 LEU 58 1HD2 LEU 58 30.227 10.944 -23.146 398 2HD2 LEU 58 2HD2 LEU 58 30.585 12.625 -22.752 399 3HD2 LEU 58 3HD2 LEU 58 29.610 11.650 -21.652 400 HA PRO 59 HA PRO 59 28.483 10.509 -26.787 401 1HB PRO 59 1HB PRO 59 28.682 9.008 -29.034 402 2HB PRO 59 2HB PRO 59 29.995 10.032 -28.446 403 1HG PRO 59 2HG PRO 59 31.085 7.979 -28.533 404 2HG PRO 59 1HG PRO 59 29.611 7.081 -28.127 405 1HD PRO 59 1HD PRO 59 30.578 7.067 -26.036 406 2HD PRO 59 2HD PRO 59 31.488 8.559 -26.339 407 H PHE 60 H PHE 60 26.340 10.594 -26.877 408 HA PHE 60 HA PHE 60 24.823 8.073 -26.872 409 1HB PHE 60 1HB PHE 60 22.925 9.543 -26.076 410 2HB PHE 60 2HB PHE 60 24.280 9.400 -24.960 411 HD1 PHE 60 HD1 PHE 60 22.515 11.617 -27.281 412 HD2 PHE 60 HD2 PHE 60 25.692 11.273 -24.472 413 HE1 PHE 60 HE1 PHE 60 22.727 14.068 -27.228 414 HE2 PHE 60 HE2 PHE 60 25.911 13.723 -24.413 415 HZ PHE 60 HZ PHE 60 24.429 15.122 -25.794 416 H THR 61 H THR 61 22.399 8.830 -27.752 417 HA THR 61 HA THR 61 22.852 10.024 -30.405 418 HB THR 61 HB THR 61 20.853 7.829 -30.182 419 HG1 THR 61 HG1 THR 61 23.668 7.479 -30.134 420 1HG2 THR 61 1HG2 THR 61 21.186 9.147 -32.255 421 2HG2 THR 61 2HG2 THR 61 22.847 8.559 -32.328 422 3HG2 THR 61 3HG2 THR 61 21.503 7.427 -32.476 423 H TYR 62 H TYR 62 21.520 11.665 -30.790 424 HA TYR 62 HA TYR 62 18.794 11.608 -29.753 425 1HB TYR 62 1HB TYR 62 19.926 12.812 -28.006 426 2HB TYR 62 2HB TYR 62 20.768 13.824 -29.176 427 HD1 TYR 62 HD1 TYR 62 17.430 13.060 -27.758 428 HD2 TYR 62 HD2 TYR 62 19.784 15.809 -29.994 429 HE1 TYR 62 HE1 TYR 62 15.614 14.712 -27.627 430 HE2 TYR 62 HE2 TYR 62 17.973 17.469 -29.869 431 HH TYR 62 HH TYR 62 15.268 17.221 -29.535 432 H ASN 63 H ASN 63 17.348 12.440 -31.143 433 HA ASN 63 HA ASN 63 16.464 13.488 -32.964 434 1HB ASN 63 1HB ASN 63 18.646 15.157 -32.210 435 2HB ASN 63 2HB ASN 63 18.647 15.030 -33.967 436 2HD2 ASN 63 1HD2 ASN 63 18.071 17.342 -32.373 437 1HD2 ASN 63 2HD2 ASN 63 16.454 17.823 -32.746 438 H GLY 64 H GLY 64 18.782 11.269 -32.973 439 1HA GLY 64 1HA GLY 64 18.871 9.671 -34.768 440 2HA GLY 64 2HA GLY 64 18.688 11.000 -35.903 441 H ARG 65 H ARG 65 20.734 12.370 -33.927 442 HA ARG 65 HA ARG 65 23.078 11.336 -35.362 443 1HB ARG 65 1HB ARG 65 24.124 13.500 -34.880 444 2HB ARG 65 2HB ARG 65 22.600 13.700 -35.733 445 1HG ARG 65 1HG ARG 65 22.133 13.760 -32.910 446 2HG ARG 65 2HG ARG 65 23.407 14.904 -33.336 447 1HD ARG 65 1HD ARG 65 20.895 15.626 -33.417 448 2HD ARG 65 2HD ARG 65 22.023 16.168 -34.660 449 HE ARG 65 HE ARG 65 20.763 13.729 -35.390 450 1HH1 ARG 65 1HH1 ARG 65 20.264 17.170 -35.199 451 2HH1 ARG 65 2HH1 ARG 65 19.069 17.197 -36.452 452 1HH2 ARG 65 1HH2 ARG 65 19.190 13.752 -37.041 453 2HH2 ARG 65 2HH2 ARG 65 18.457 15.253 -37.500 454 H THR 66 H THR 66 25.099 12.334 -33.785 455 HA THR 66 HA THR 66 24.714 11.027 -31.175 456 HB THR 66 HB THR 66 27.321 10.727 -32.616 457 HG1 THR 66 HG1 THR 66 25.977 9.808 -34.103 458 1HG2 THR 66 1HG2 THR 66 26.852 10.139 -30.148 459 2HG2 THR 66 2HG2 THR 66 25.975 8.757 -30.801 460 3HG2 THR 66 3HG2 THR 66 27.693 8.955 -31.146 461 H PHE 67 H PHE 67 26.149 11.734 -29.503 462 HA PHE 67 HA PHE 67 27.750 14.113 -30.062 463 1HB PHE 67 1HB PHE 67 25.822 14.147 -27.754 464 2HB PHE 67 2HB PHE 67 26.680 15.496 -28.492 465 HD1 PHE 67 HD1 PHE 67 24.066 12.953 -29.208 466 HD2 PHE 67 HD2 PHE 67 25.621 16.819 -30.067 467 HE1 PHE 67 HE1 PHE 67 22.099 13.430 -30.607 468 HE2 PHE 67 HE2 PHE 67 23.658 17.303 -31.467 469 HZ PHE 67 HZ PHE 67 21.895 15.607 -31.740 470 H TYR 68 H TYR 68 29.684 13.806 -29.187 471 HA TYR 68 HA TYR 68 30.076 11.828 -27.122 472 1HB TYR 68 1HB TYR 68 31.948 13.593 -28.696 473 2HB TYR 68 2HB TYR 68 32.512 12.566 -27.383 474 HD1 TYR 68 HD1 TYR 68 30.124 12.063 -30.225 475 HD2 TYR 68 HD2 TYR 68 33.610 10.711 -28.195 476 HE1 TYR 68 HE1 TYR 68 30.288 10.163 -31.779 477 HE2 TYR 68 HE2 TYR 68 33.786 8.813 -29.740 478 HH TYR 68 HH TYR 68 31.400 7.715 -31.584 479 H SER 69 H SER 69 28.843 14.734 -26.869 480 HA SER 69 HA SER 69 29.548 15.081 -24.150 481 1HB SER 69 1HB SER 69 30.370 17.580 -25.341 482 2HB SER 69 2HB SER 69 31.245 16.544 -24.214 483 HG SER 69 HG SER 69 31.899 16.965 -26.658 484 H CYS 70 H CYS 70 28.900 17.648 -23.648 485 HA CYS 70 HA CYS 70 26.162 17.741 -23.720 486 1HB CYS 70 2HB CYS 70 26.303 19.960 -22.953 487 2HB CYS 70 1HB CYS 70 27.797 20.264 -23.828 488 H THR 71 H THR 71 24.839 19.559 -24.792 489 HA THR 71 HA THR 71 25.539 20.641 -27.268 490 HB THR 71 HB THR 71 25.526 18.113 -27.811 491 HG1 THR 71 HG1 THR 71 25.559 19.237 -29.626 492 1HG2 THR 71 1HG2 THR 71 23.348 17.686 -26.654 493 2HG2 THR 71 2HG2 THR 71 22.551 18.621 -27.919 494 3HG2 THR 71 3HG2 THR 71 23.396 17.128 -28.327 495 H THR 72 H THR 72 23.817 21.755 -28.289 496 HA THR 72 HA THR 72 21.340 21.873 -26.692 497 HB THR 72 HB THR 72 21.398 24.335 -27.801 498 HG1 THR 72 HG1 THR 72 24.110 23.589 -27.335 499 1HG2 THR 72 1HG2 THR 72 21.357 23.390 -25.309 500 2HG2 THR 72 2HG2 THR 72 22.995 24.044 -25.314 501 3HG2 THR 72 3HG2 THR 72 21.624 25.098 -25.660 502 H GLU 73 H GLU 73 21.095 20.115 -28.541 503 HA GLU 73 HA GLU 73 20.043 21.417 -30.961 504 1HB GLU 73 1HB GLU 73 20.902 18.564 -30.475 505 2HB GLU 73 2HB GLU 73 20.200 19.150 -31.978 506 1HG GLU 73 2HG GLU 73 22.417 19.249 -32.492 507 2HG GLU 73 1HG GLU 73 22.899 19.606 -30.835 508 H GLY 74 H GLY 74 18.844 20.724 -28.149 509 1HA GLY 74 1HA GLY 74 16.201 20.190 -29.159 510 2HA GLY 74 2HA GLY 74 16.867 18.852 -28.232 511 H ARG 75 H ARG 75 17.352 22.298 -27.725 512 HA ARG 75 HA ARG 75 16.354 21.989 -24.994 513 1HB ARG 75 1HB ARG 75 18.207 23.897 -26.363 514 2HB ARG 75 2HB ARG 75 17.405 24.390 -24.885 515 1HG ARG 75 1HG ARG 75 19.368 22.180 -25.293 516 2HG ARG 75 2HG ARG 75 19.478 23.563 -24.208 517 1HD ARG 75 2HD ARG 75 18.927 21.898 -22.727 518 2HD ARG 75 1HD ARG 75 17.959 21.021 -23.909 519 HE ARG 75 HE ARG 75 16.146 22.127 -23.108 520 1HH1 ARG 75 1HH1 ARG 75 18.965 24.079 -22.492 521 2HH1 ARG 75 2HH1 ARG 75 18.084 25.320 -21.665 522 1HH2 ARG 75 1HH2 ARG 75 14.979 23.754 -22.019 523 2HH2 ARG 75 2HH2 ARG 75 15.818 25.135 -21.394 524 H GLN 76 H GLN 76 15.276 23.998 -24.089 525 HA GLN 76 HA GLN 76 13.292 24.979 -26.030 526 1HB GLN 76 1HB GLN 76 12.812 25.000 -23.075 527 2HB GLN 76 2HB GLN 76 11.646 24.929 -24.389 528 1HG GLN 76 1HG GLN 76 13.365 22.614 -24.394 529 2HG GLN 76 2HG GLN 76 12.563 22.818 -22.837 530 2HE2 GLN 76 1HE2 GLN 76 11.397 20.892 -23.289 531 1HE2 GLN 76 2HE2 GLN 76 10.031 20.917 -24.346 532 H ASP 77 H ASP 77 16.027 25.939 -24.655 533 HA ASP 77 HA ASP 77 15.207 28.738 -24.653 534 1HB ASP 77 1HB ASP 77 15.712 27.321 -22.260 535 2HB ASP 77 2HB ASP 77 17.101 28.371 -22.527 536 H GLY 78 H GLY 78 18.019 26.646 -24.041 537 1HA GLY 78 1HA GLY 78 19.596 26.821 -26.104 538 2HA GLY 78 2HA GLY 78 19.669 28.503 -25.607 539 H HIS 79 H HIS 79 19.532 25.710 -23.467 540 HA HIS 79 HA HIS 79 22.203 26.450 -22.471 541 1HB HIS 79 1HB HIS 79 20.161 24.873 -20.917 542 2HB HIS 79 2HB HIS 79 21.563 25.744 -20.308 543 HD1 HIS 79 HD1 HIS 79 20.901 28.425 -21.902 544 HD2 HIS 79 HD2 HIS 79 18.307 26.307 -19.442 545 HE1 HIS 79 HE1 HIS 79 19.175 30.092 -21.151 546 HE2 HIS 79 HE2 HIS 79 17.580 28.774 -19.714 547 H LEU 80 H LEU 80 23.802 25.017 -22.687 548 HA LEU 80 HA LEU 80 23.641 22.701 -24.165 549 1HB LEU 80 1HB LEU 80 25.591 23.556 -22.034 550 2HB LEU 80 2HB LEU 80 25.791 22.069 -22.935 551 HG LEU 80 HG LEU 80 26.026 23.273 -25.010 552 1HD1 LEU 80 1HD1 LEU 80 25.489 25.745 -23.370 553 2HD1 LEU 80 2HD1 LEU 80 26.038 25.738 -25.046 554 3HD1 LEU 80 3HD1 LEU 80 24.458 25.072 -24.634 555 1HD2 LEU 80 1HD2 LEU 80 27.946 23.052 -23.312 556 2HD2 LEU 80 2HD2 LEU 80 28.142 24.172 -24.660 557 3HD2 LEU 80 3HD2 LEU 80 27.725 24.783 -23.058 558 H TRP 81 H TRP 81 23.528 20.495 -23.668 559 HA TRP 81 HA TRP 81 23.010 19.685 -20.932 560 1HB TRP 81 1HB TRP 81 20.853 18.619 -21.487 561 2HB TRP 81 2HB TRP 81 20.791 20.370 -21.661 562 HD1 TRP 81 HD1 TRP 81 20.560 21.350 -24.142 563 HE1 TRP 81 HE1 TRP 81 19.757 20.280 -26.342 564 HE3 TRP 81 HE3 TRP 81 20.845 16.429 -22.797 565 HZ2 TRP 81 HZ2 TRP 81 19.306 17.688 -27.370 566 HZ3 TRP 81 HZ3 TRP 81 20.212 14.717 -24.446 567 HH2 TRP 81 HH2 TRP 81 19.459 15.334 -26.684 568 H CYS 82 H CYS 82 23.232 17.477 -20.573 569 HA CYS 82 HA CYS 82 24.081 15.854 -22.870 570 1HB CYS 82 1HB CYS 82 25.947 14.963 -21.645 571 2HB CYS 82 2HB CYS 82 26.054 16.719 -21.580 572 H SER 83 H SER 83 23.796 13.577 -22.607 573 HA SER 83 HA SER 83 21.489 12.935 -21.002 574 1HB SER 83 1HB SER 83 21.730 10.672 -22.075 575 2HB SER 83 2HB SER 83 21.572 12.004 -23.220 576 HG SER 83 HG SER 83 23.316 10.341 -23.538 577 H THR 84 H THR 84 21.383 11.501 -19.290 578 HA THR 84 HA THR 84 23.946 10.974 -17.965 579 HB THR 84 HB THR 84 22.649 10.652 -15.912 580 HG1 THR 84 HG1 THR 84 20.489 10.911 -17.706 581 1HG2 THR 84 1HG2 THR 84 22.630 13.132 -17.468 582 2HG2 THR 84 2HG2 THR 84 21.408 13.078 -16.196 583 3HG2 THR 84 3HG2 THR 84 23.110 12.848 -15.794 584 H THR 85 H THR 85 21.203 9.422 -19.396 585 HA THR 85 HA THR 85 22.335 6.797 -18.675 586 HB THR 85 HB THR 85 19.438 7.601 -18.916 587 HG1 THR 85 HG1 THR 85 21.148 6.715 -16.869 588 1HG2 THR 85 1HG2 THR 85 20.722 4.958 -19.290 589 2HG2 THR 85 2HG2 THR 85 19.272 5.003 -18.289 590 3HG2 THR 85 3HG2 THR 85 19.213 5.589 -19.951 591 H SER 86 H SER 86 22.624 5.344 -20.308 592 HA SER 86 HA SER 86 22.994 6.136 -22.902 593 1HB SER 86 1HB SER 86 23.877 4.027 -22.184 594 2HB SER 86 2HB SER 86 22.265 3.403 -21.833 595 HG SER 86 HG SER 86 23.383 2.832 -23.930 596 H ASN 87 H ASN 87 20.057 4.815 -21.458 597 HA ASN 87 HA ASN 87 18.613 5.194 -23.973 598 1HB ASN 87 1HB ASN 87 18.467 3.211 -22.081 599 2HB ASN 87 2HB ASN 87 17.095 4.227 -21.653 600 2HD2 ASN 87 1HD2 ASN 87 16.611 1.722 -22.462 601 1HD2 ASN 87 2HD2 ASN 87 15.920 1.710 -24.044 602 H TYR 88 H TYR 88 18.967 7.584 -23.620 603 HA TYR 88 HA TYR 88 17.482 8.874 -21.540 604 1HB TYR 88 1HB TYR 88 19.283 10.161 -22.277 605 2HB TYR 88 2HB TYR 88 18.968 9.809 -23.973 606 HD1 TYR 88 HD1 TYR 88 17.868 11.807 -21.074 607 HD2 TYR 88 HD2 TYR 88 17.491 11.169 -25.262 608 HE1 TYR 88 HE1 TYR 88 16.653 13.933 -21.281 609 HE2 TYR 88 HE2 TYR 88 16.277 13.296 -25.483 610 HH TYR 88 HH TYR 88 15.402 15.037 -24.417 611 H GLU 89 H GLU 89 16.863 7.813 -24.780 612 HA GLU 89 HA GLU 89 14.533 9.392 -25.215 613 1HB GLU 89 1HB GLU 89 15.290 6.787 -26.545 614 2HB GLU 89 2HB GLU 89 14.158 7.987 -27.152 615 1HG GLU 89 1HG GLU 89 15.919 9.560 -27.519 616 2HG GLU 89 2HG GLU 89 17.087 8.510 -26.715 617 H GLN 90 H GLN 90 15.148 6.825 -23.175 618 HA GLN 90 HA GLN 90 12.295 6.101 -23.091 619 1HB GLN 90 1HB GLN 90 13.200 4.076 -23.663 620 2HB GLN 90 2HB GLN 90 14.754 4.442 -22.929 621 1HG GLN 90 1HG GLN 90 13.812 2.694 -21.667 622 2HG GLN 90 2HG GLN 90 13.644 4.155 -20.693 623 2HE2 GLN 90 1HE2 GLN 90 11.621 4.980 -20.286 624 1HE2 GLN 90 2HE2 GLN 90 10.166 4.120 -20.642 625 H ASP 91 H ASP 91 15.239 6.500 -21.169 626 HA ASP 91 HA ASP 91 13.832 6.427 -18.669 627 1HB ASP 91 1HB ASP 91 16.577 6.442 -19.543 628 2HB ASP 91 2HB ASP 91 16.343 7.642 -18.275 629 H GLN 92 H GLN 92 15.213 8.945 -20.726 630 HA GLN 92 HA GLN 92 14.651 11.158 -20.915 631 1HB GLN 92 1HB GLN 92 12.354 10.224 -20.037 632 2HB GLN 92 2HB GLN 92 12.831 11.021 -18.544 633 1HG GLN 92 1HG GLN 92 11.518 12.587 -19.663 634 2HG GLN 92 2HG GLN 92 13.178 13.107 -19.955 635 2HE2 GLN 92 1HE2 GLN 92 10.624 11.108 -21.383 636 1HE2 GLN 92 2HE2 GLN 92 10.972 11.526 -23.022 637 H LYS 93 H LYS 93 16.554 9.848 -18.904 638 HA LYS 93 HA LYS 93 16.778 11.948 -16.897 639 1HB LYS 93 1HB LYS 93 18.113 9.291 -17.309 640 2HB LYS 93 2HB LYS 93 18.800 10.474 -16.204 641 1HG LYS 93 1HG LYS 93 17.205 8.659 -15.294 642 2HG LYS 93 2HG LYS 93 17.034 10.323 -14.730 643 1HD LYS 93 1HD LYS 93 15.126 10.691 -16.029 644 2HD LYS 93 2HD LYS 93 15.461 9.308 -17.073 645 1HE LYS 93 1HE LYS 93 14.410 9.329 -14.261 646 2HE LYS 93 2HE LYS 93 13.685 8.618 -15.702 647 1HZ LYS 93 1HZ LYS 93 15.768 7.141 -15.697 648 2HZ LYS 93 2HZ LYS 93 15.940 7.621 -14.085 649 3HZ LYS 93 3HZ LYS 93 14.543 6.805 -14.579 650 H TYR 94 H TYR 94 17.696 13.765 -17.595 651 HA TYR 94 HA TYR 94 20.314 13.570 -18.898 652 1HB TYR 94 2HB TYR 94 18.374 14.033 -20.539 653 2HB TYR 94 1HB TYR 94 19.794 15.071 -20.618 654 HD1 TYR 94 HD1 TYR 94 16.261 14.881 -19.642 655 HD2 TYR 94 HD2 TYR 94 19.674 17.397 -19.978 656 HE1 TYR 94 HE1 TYR 94 14.827 16.855 -19.341 657 HE2 TYR 94 HE2 TYR 94 18.250 19.379 -19.678 658 HH TYR 94 HH TYR 94 15.703 19.640 -18.411 659 H SER 95 H SER 95 21.331 15.859 -18.986 660 HA SER 95 HA SER 95 20.553 17.563 -16.762 661 1HB SER 95 2HB SER 95 22.168 16.952 -15.329 662 2HB SER 95 1HB SER 95 23.402 17.085 -16.582 663 HG SER 95 HG SER 95 21.973 14.857 -15.711 664 H PHE 96 H PHE 96 21.312 19.666 -16.937 665 HA PHE 96 HA PHE 96 22.045 20.503 -19.561 666 1HB PHE 96 1HB PHE 96 21.835 22.017 -16.955 667 2HB PHE 96 2HB PHE 96 22.183 22.781 -18.501 668 HD1 PHE 96 HD1 PHE 96 20.414 21.691 -20.392 669 HD2 PHE 96 HD2 PHE 96 19.702 22.442 -16.265 670 HE1 PHE 96 HE1 PHE 96 18.001 21.871 -20.845 671 HE2 PHE 96 HE2 PHE 96 17.289 22.622 -16.709 672 HZ PHE 96 HZ PHE 96 16.436 22.336 -19.001 673 H CYS 97 H CYS 97 23.869 22.259 -19.698 674 HA CYS 97 HA CYS 97 26.259 21.345 -18.263 675 1HB CYS 97 1HB CYS 97 25.807 21.367 -21.214 676 2HB CYS 97 2HB CYS 97 27.410 21.776 -20.613 677 H THR 98 H THR 98 27.130 23.034 -17.278 678 HA THR 98 HA THR 98 26.399 25.655 -17.484 679 HB THR 98 HB THR 98 28.964 26.010 -16.758 680 HG1 THR 98 HG1 THR 98 29.734 24.125 -15.788 681 1HG2 THR 98 1HG2 THR 98 26.558 25.069 -15.277 682 2HG2 THR 98 2HG2 THR 98 28.097 25.138 -14.420 683 3HG2 THR 98 3HG2 THR 98 27.432 26.596 -15.156 684 H ASP 99 H ASP 99 29.755 25.235 -18.313 685 HA ASP 99 HA ASP 99 30.983 25.792 -20.158 686 1HB ASP 99 1HB ASP 99 28.730 24.846 -21.314 687 2HB ASP 99 2HB ASP 99 28.669 26.521 -21.854 688 H HIS 100 H HIS 100 28.039 27.804 -20.035 689 HA HIS 100 HA HIS 100 29.718 30.185 -20.350 690 1HB HIS 100 1HB HIS 100 27.404 29.542 -21.607 691 2HB HIS 100 2HB HIS 100 26.779 30.485 -20.259 692 HD1 HIS 100 HD1 HIS 100 29.697 32.187 -20.555 693 HD2 HIS 100 HD2 HIS 100 26.488 31.813 -23.168 694 HE1 HIS 100 HE1 HIS 100 29.831 34.187 -22.075 695 HE2 HIS 100 HE2 HIS 100 27.891 33.930 -23.662 696 H THR 101 H THR 101 27.707 31.936 -19.201 697 HA THR 101 HA THR 101 28.668 32.192 -16.612 698 HB THR 101 HB THR 101 27.359 33.905 -18.004 699 HG1 THR 101 HG1 THR 101 26.423 33.800 -15.343 700 1HG2 THR 101 1HG2 THR 101 25.333 32.081 -17.829 701 2HG2 THR 101 2HG2 THR 101 24.910 33.214 -16.546 702 3HG2 THR 101 3HG2 THR 101 25.119 33.793 -18.198 No H/Q in entry = 702 Start of MODEL 8 1 H1 TYR 1 H1 TYR 1 49.633 6.600 -41.206 2 H2 TYR 1 H2 TYR 1 50.772 5.767 -42.140 3 H3 TYR 1 H3 TYR 1 51.244 7.121 -41.242 4 HA TYR 1 HA TYR 1 50.538 8.575 -42.758 5 1HB TYR 1 1HB TYR 1 50.802 5.954 -44.200 6 2HB TYR 1 2HB TYR 1 50.393 7.416 -45.090 7 HD1 TYR 1 HD1 TYR 1 51.989 9.472 -44.614 8 HD2 TYR 1 HD2 TYR 1 53.031 5.400 -43.957 9 HE1 TYR 1 HE1 TYR 1 54.372 10.068 -44.732 10 HE2 TYR 1 HE2 TYR 1 55.416 5.984 -44.072 11 HH TYR 1 HH TYR 1 56.903 7.625 -44.254 12 H GLY 2 H GLY 2 48.400 5.841 -42.424 13 1HA GLY 2 1HA GLY 2 46.125 7.580 -42.916 14 2HA GLY 2 2HA GLY 2 46.300 6.238 -44.034 15 H HIS 3 H HIS 3 47.254 5.940 -40.700 16 HA HIS 3 HA HIS 3 44.757 4.671 -39.941 17 1HB HIS 3 1HB HIS 3 45.698 2.739 -40.829 18 2HB HIS 3 2HB HIS 3 47.330 3.197 -40.366 19 HD1 HIS 3 HD1 HIS 3 48.208 2.247 -38.236 20 HD2 HIS 3 HD2 HIS 3 44.090 1.826 -38.579 21 HE1 HIS 3 HE1 HIS 3 47.522 0.798 -36.303 22 HE2 HIS 3 HE2 HIS 3 45.008 0.750 -36.409 23 H CYS 4 H CYS 4 44.478 4.468 -37.700 24 HA CYS 4 HA CYS 4 46.621 5.629 -36.046 25 1HB CYS 4 1HB CYS 4 44.493 6.449 -34.652 26 2HB CYS 4 2HB CYS 4 45.208 7.414 -35.933 27 H VAL 5 H VAL 5 47.112 4.537 -34.242 28 HA VAL 5 HA VAL 5 45.247 2.451 -33.330 29 HB VAL 5 HB VAL 5 47.289 1.625 -34.669 30 1HG1 VAL 5 1HG1 VAL 5 48.743 3.195 -33.089 31 2HG1 VAL 5 2HG1 VAL 5 48.806 1.719 -32.127 32 3HG1 VAL 5 3HG1 VAL 5 49.382 1.710 -33.794 33 1HG2 VAL 5 1HG2 VAL 5 46.285 0.622 -32.056 34 2HG2 VAL 5 2HG2 VAL 5 46.131 -0.074 -33.670 35 3HG2 VAL 5 3HG2 VAL 5 47.660 -0.195 -32.799 36 H THR 6 H THR 6 45.260 1.993 -31.114 37 HA THR 6 HA THR 6 45.947 4.211 -29.440 38 HB THR 6 HB THR 6 45.059 2.813 -27.592 39 HG1 THR 6 HG1 THR 6 44.310 0.752 -28.037 40 1HG2 THR 6 1HG2 THR 6 43.569 3.457 -30.059 41 2HG2 THR 6 2HG2 THR 6 42.759 2.370 -28.931 42 3HG2 THR 6 3HG2 THR 6 43.280 3.967 -28.396 43 H ASP 7 H ASP 7 46.834 0.759 -29.203 44 HA ASP 7 HA ASP 7 49.595 1.405 -28.743 45 1HB ASP 7 1HB ASP 7 48.834 1.851 -26.513 46 2HB ASP 7 2HB ASP 7 47.883 0.369 -26.482 47 H SER 8 H SER 8 47.113 -1.096 -28.339 48 HA SER 8 HA SER 8 48.257 -2.845 -30.219 49 1HB SER 8 1HB SER 8 49.967 -3.017 -28.360 50 2HB SER 8 2HB SER 8 48.706 -3.749 -27.370 51 HG SER 8 HG SER 8 49.520 -4.738 -29.900 52 H GLY 9 H GLY 9 45.705 -1.928 -29.803 53 1HA GLY 9 1HA GLY 9 44.289 -4.440 -29.426 54 2HA GLY 9 2HA GLY 9 43.852 -3.150 -28.319 55 H VAL 10 H VAL 10 43.683 -0.949 -29.724 56 HA VAL 10 HA VAL 10 41.488 -1.491 -31.562 57 HB VAL 10 HB VAL 10 42.310 1.297 -30.937 58 1HG1 VAL 10 1HG1 VAL 10 39.920 -0.179 -31.750 59 2HG1 VAL 10 2HG1 VAL 10 39.622 1.046 -30.516 60 3HG1 VAL 10 3HG1 VAL 10 40.374 1.499 -32.046 61 1HG2 VAL 10 1HG2 VAL 10 41.060 -0.568 -28.926 62 2HG2 VAL 10 2HG2 VAL 10 42.585 0.304 -28.772 63 3HG2 VAL 10 3HG2 VAL 10 41.060 1.190 -28.783 64 H VAL 11 H VAL 11 41.354 -0.557 -33.650 65 HA VAL 11 HA VAL 11 43.904 0.366 -34.791 66 HB VAL 11 HB VAL 11 42.067 -1.698 -36.013 67 1HG1 VAL 11 1HG1 VAL 11 43.502 0.211 -37.371 68 2HG1 VAL 11 2HG1 VAL 11 44.601 -1.169 -37.352 69 3HG1 VAL 11 3HG1 VAL 11 42.979 -1.342 -38.024 70 1HG2 VAL 11 1HG2 VAL 11 44.931 -1.872 -35.078 71 2HG2 VAL 11 2HG2 VAL 11 43.531 -2.614 -34.302 72 3HG2 VAL 11 3HG2 VAL 11 44.042 -3.155 -35.900 73 H TYR 12 H TYR 12 42.849 2.454 -34.510 74 HA TYR 12 HA TYR 12 40.517 3.089 -36.058 75 1HB TYR 12 1HB TYR 12 42.550 4.916 -34.756 76 2HB TYR 12 2HB TYR 12 40.991 5.417 -35.405 77 HD1 TYR 12 HD1 TYR 12 38.910 4.214 -34.380 78 HD2 TYR 12 HD2 TYR 12 42.730 4.402 -32.522 79 HE1 TYR 12 HE1 TYR 12 37.863 3.754 -32.199 80 HE2 TYR 12 HE2 TYR 12 41.698 3.943 -30.335 81 HH TYR 12 HH TYR 12 38.439 2.912 -30.021 82 H SER 13 H SER 13 40.550 4.746 -37.780 83 HA SER 13 HA SER 13 42.982 4.496 -39.418 84 1HB SER 13 1HB SER 13 40.084 4.395 -40.157 85 2HB SER 13 2HB SER 13 41.270 4.939 -41.342 86 HG SER 13 HG SER 13 40.721 2.431 -40.489 87 H VAL 14 H VAL 14 43.481 6.269 -40.829 88 HA VAL 14 HA VAL 14 43.827 8.677 -39.739 89 HB VAL 14 HB VAL 14 44.799 8.323 -41.852 90 1HG1 VAL 14 1HG1 VAL 14 42.990 6.785 -42.648 91 2HG1 VAL 14 2HG1 VAL 14 42.070 8.214 -43.117 92 3HG1 VAL 14 3HG1 VAL 14 43.626 7.878 -43.877 93 1HG2 VAL 14 1HG2 VAL 14 43.593 10.666 -41.265 94 2HG2 VAL 14 2HG2 VAL 14 44.615 10.412 -42.680 95 3HG2 VAL 14 3HG2 VAL 14 42.861 10.313 -42.830 96 H GLY 15 H GLY 15 42.139 9.340 -38.409 97 1HA GLY 15 1HA GLY 15 40.470 10.929 -38.055 98 2HA GLY 15 2HA GLY 15 40.118 10.904 -39.771 99 H MET 16 H MET 16 40.019 8.528 -37.113 100 HA MET 16 HA MET 16 37.386 7.686 -38.104 101 1HB MET 16 1HB MET 16 39.655 6.248 -37.138 102 2HB MET 16 2HB MET 16 38.314 5.967 -36.036 103 1HG MET 16 1HG MET 16 37.616 5.774 -38.873 104 2HG MET 16 2HG MET 16 38.778 4.571 -38.315 105 1HE MET 16 1HE MET 16 38.396 2.682 -37.457 106 2HE MET 16 2HE MET 16 37.807 2.830 -35.801 107 3HE MET 16 3HE MET 16 36.864 1.938 -36.995 108 H GLN 17 H GLN 17 39.052 9.137 -35.457 109 HA GLN 17 HA GLN 17 38.381 10.039 -33.485 110 1HB GLN 17 1HB GLN 17 36.309 10.558 -35.404 111 2HB GLN 17 2HB GLN 17 35.591 10.333 -33.815 112 1HG GLN 17 1HG GLN 17 37.563 11.967 -33.119 113 2HG GLN 17 2HG GLN 17 37.393 12.462 -34.803 114 2HE2 GLN 17 1HE2 GLN 17 36.853 14.035 -32.478 115 1HE2 GLN 17 2HE2 GLN 17 35.178 14.457 -32.524 116 H TRP 18 H TRP 18 38.034 9.184 -31.543 117 HA TRP 18 HA TRP 18 35.895 7.277 -31.115 118 1HB TRP 18 1HB TRP 18 37.256 5.479 -30.349 119 2HB TRP 18 2HB TRP 18 37.890 5.956 -31.920 120 HD1 TRP 18 HD1 TRP 18 38.761 6.078 -28.181 121 HE1 TRP 18 HE1 TRP 18 41.286 6.498 -27.950 122 HE3 TRP 18 HE3 TRP 18 39.898 6.959 -33.093 123 HZ2 TRP 18 HZ2 TRP 18 43.473 7.127 -29.623 124 HZ3 TRP 18 HZ3 TRP 18 42.230 7.461 -33.689 125 HH2 TRP 18 HH2 TRP 18 43.978 7.544 -31.990 126 H LEU 19 H LEU 19 36.319 6.381 -28.677 127 HA LEU 19 HA LEU 19 36.937 8.747 -27.037 128 1HB LEU 19 1HB LEU 19 34.443 8.076 -27.385 129 2HB LEU 19 2HB LEU 19 34.811 6.785 -26.257 130 HG LEU 19 HG LEU 19 35.605 8.588 -24.652 131 1HD1 LEU 19 1HD1 LEU 19 35.591 10.266 -26.677 132 2HD1 LEU 19 2HD1 LEU 19 33.913 10.493 -26.184 133 3HD1 LEU 19 3HD1 LEU 19 35.219 10.805 -25.039 134 1HD2 LEU 19 1HD2 LEU 19 33.366 7.365 -24.652 135 2HD2 LEU 19 2HD2 LEU 19 33.457 8.887 -23.765 136 3HD2 LEU 19 3HD2 LEU 19 32.698 8.838 -25.356 137 H LYS 20 H LYS 20 37.773 8.350 -24.958 138 HA LYS 20 HA LYS 20 38.722 5.595 -24.523 139 1HB LYS 20 1HB LYS 20 40.412 7.444 -25.291 140 2HB LYS 20 2HB LYS 20 40.323 7.954 -23.609 141 1HG LYS 20 2HG LYS 20 40.911 5.573 -22.994 142 2HG LYS 20 1HG LYS 20 42.184 6.531 -23.753 143 1HD LYS 20 1HD LYS 20 40.969 5.405 -25.919 144 2HD LYS 20 2HD LYS 20 42.415 4.775 -25.127 145 1HE LYS 20 1HE LYS 20 41.315 3.023 -24.228 146 2HE LYS 20 2HE LYS 20 39.859 3.968 -23.912 147 1HZ LYS 20 1HZ LYS 20 40.514 3.340 -26.695 148 2HZ LYS 20 2HZ LYS 20 39.906 2.093 -25.727 149 3HZ LYS 20 3HZ LYS 20 39.003 3.506 -25.953 150 H THR 21 H THR 21 38.659 4.808 -22.458 151 HA THR 21 HA THR 21 37.973 6.564 -20.248 152 HB THR 21 HB THR 21 36.103 4.396 -21.195 153 HG1 THR 21 HG1 THR 21 36.132 6.888 -21.754 154 1HG2 THR 21 1HG2 THR 21 36.419 4.216 -18.768 155 2HG2 THR 21 2HG2 THR 21 36.037 5.929 -18.593 156 3HG2 THR 21 3HG2 THR 21 34.805 4.805 -19.164 157 H GLN 22 H GLN 22 38.833 3.361 -21.417 158 HA GLN 22 HA GLN 22 39.220 2.271 -18.789 159 1HB GLN 22 1HB GLN 22 39.926 1.289 -21.552 160 2HB GLN 22 2HB GLN 22 40.337 0.395 -20.094 161 1HG GLN 22 1HG GLN 22 37.517 1.237 -20.440 162 2HG GLN 22 2HG GLN 22 38.122 -0.063 -21.465 163 2HE2 GLN 22 1HE2 GLN 22 37.590 0.959 -18.159 164 1HE2 GLN 22 2HE2 GLN 22 37.583 -0.624 -17.468 165 H GLY 23 H GLY 23 40.620 3.898 -17.920 166 1HA GLY 23 1HA GLY 23 43.361 3.181 -18.038 167 2HA GLY 23 2HA GLY 23 43.091 4.674 -18.927 168 H ASN 24 H ASN 24 40.950 5.594 -17.213 169 HA ASN 24 HA ASN 24 41.649 5.708 -14.512 170 1HB ASN 24 1HB ASN 24 42.399 8.292 -14.831 171 2HB ASN 24 2HB ASN 24 43.535 6.957 -14.664 172 2HD2 ASN 24 1HD2 ASN 24 45.174 7.582 -15.911 173 1HD2 ASN 24 2HD2 ASN 24 45.055 7.961 -17.593 174 H LYS 25 H LYS 25 40.724 8.131 -16.969 175 HA LYS 25 HA LYS 25 38.073 8.288 -15.719 176 1HB LYS 25 2HB LYS 25 38.085 10.641 -15.587 177 2HB LYS 25 1HB LYS 25 39.513 10.778 -16.603 178 1HG LYS 25 1HG LYS 25 39.337 10.655 -13.766 179 2HG LYS 25 2HG LYS 25 40.245 9.256 -14.341 180 1HD LYS 25 1HD LYS 25 42.024 10.536 -14.713 181 2HD LYS 25 2HD LYS 25 41.083 11.561 -15.799 182 1HE LYS 25 1HE LYS 25 40.456 13.010 -14.052 183 2HE LYS 25 2HE LYS 25 40.964 11.865 -12.813 184 1HZ LYS 25 1HZ LYS 25 43.276 12.182 -13.667 185 2HZ LYS 25 2HZ LYS 25 42.696 13.453 -14.619 186 3HZ LYS 25 3HZ LYS 25 42.601 13.549 -12.933 187 H GLN 26 H GLN 26 37.267 10.508 -17.375 188 HA GLN 26 HA GLN 26 36.759 9.028 -19.822 189 1HB GLN 26 1HB GLN 26 35.489 11.239 -18.372 190 2HB GLN 26 2HB GLN 26 35.493 11.449 -20.118 191 1HG GLN 26 1HG GLN 26 34.359 9.354 -20.425 192 2HG GLN 26 2HG GLN 26 34.470 9.001 -18.701 193 2HE2 GLN 26 1HE2 GLN 26 32.946 10.988 -21.128 194 1HE2 GLN 26 2HE2 GLN 26 31.625 11.519 -20.149 195 H MET 27 H MET 27 37.110 9.905 -21.929 196 HA MET 27 HA MET 27 38.537 12.305 -22.383 197 1HB MET 27 1HB MET 27 40.293 10.805 -21.298 198 2HB MET 27 2HB MET 27 40.218 9.834 -22.762 199 1HG MET 27 1HG MET 27 40.543 12.488 -23.604 200 2HG MET 27 2HG MET 27 41.655 12.254 -22.257 201 1HE MET 27 1HE MET 27 43.262 10.724 -21.982 202 2HE MET 27 2HE MET 27 43.897 9.525 -23.108 203 3HE MET 27 3HE MET 27 44.406 11.209 -23.233 204 H LEU 28 H LEU 28 38.801 12.767 -24.570 205 HA LEU 28 HA LEU 28 37.587 10.809 -26.412 206 1HB LEU 28 1HB LEU 28 36.255 12.893 -25.964 207 2HB LEU 28 2HB LEU 28 37.558 13.813 -26.692 208 HG LEU 28 HG LEU 28 36.685 11.691 -28.455 209 1HD1 LEU 28 1HD1 LEU 28 34.547 11.980 -27.304 210 2HD1 LEU 28 2HD1 LEU 28 34.607 13.712 -27.630 211 3HD1 LEU 28 3HD1 LEU 28 34.474 12.567 -28.965 212 1HD2 LEU 28 1HD2 LEU 28 38.018 13.773 -28.969 213 2HD2 LEU 28 2HD2 LEU 28 36.678 13.426 -30.061 214 3HD2 LEU 28 3HD2 LEU 28 36.508 14.671 -28.823 215 H CYS 29 H CYS 29 38.934 10.034 -27.891 216 HA CYS 29 HA CYS 29 41.386 11.535 -28.485 217 1HB CYS 29 1HB CYS 29 40.698 8.658 -28.348 218 2HB CYS 29 2HB CYS 29 41.860 9.127 -29.583 219 H THR 30 H THR 30 42.195 11.537 -30.679 220 HA THR 30 HA THR 30 40.415 10.856 -32.842 221 HB THR 30 HB THR 30 41.035 13.772 -32.331 222 HG1 THR 30 HG1 THR 30 38.889 13.962 -31.883 223 1HG2 THR 30 1HG2 THR 30 39.744 12.354 -34.655 224 2HG2 THR 30 2HG2 THR 30 39.539 14.079 -34.354 225 3HG2 THR 30 3HG2 THR 30 41.146 13.426 -34.677 226 H CYS 31 H CYS 31 41.597 10.301 -34.565 227 HA CYS 31 HA CYS 31 44.423 11.066 -34.575 228 1HB CYS 31 1HB CYS 31 44.525 9.282 -36.427 229 2HB CYS 31 2HB CYS 31 44.278 8.739 -34.775 230 H LEU 32 H LEU 32 44.917 12.776 -35.715 231 HA LEU 32 HA LEU 32 43.197 13.769 -37.795 232 1HB LEU 32 1HB LEU 32 45.473 15.287 -37.962 233 2HB LEU 32 2HB LEU 32 44.076 15.650 -36.969 234 HG LEU 32 HG LEU 32 46.307 13.972 -35.878 235 1HD1 LEU 32 1HD1 LEU 32 46.407 16.809 -36.572 236 2HD1 LEU 32 2HD1 LEU 32 46.822 16.457 -34.895 237 3HD1 LEU 32 3HD1 LEU 32 47.711 15.679 -36.205 238 1HD2 LEU 32 1HD2 LEU 32 43.936 14.460 -34.827 239 2HD2 LEU 32 2HD2 LEU 32 45.391 14.410 -33.831 240 3HD2 LEU 32 3HD2 LEU 32 44.722 15.961 -34.337 241 H GLY 33 H GLY 33 46.695 13.778 -38.138 242 1HA GLY 33 1HA GLY 33 46.550 11.880 -40.354 243 2HA GLY 33 2HA GLY 33 47.038 13.520 -40.746 244 H ASN 34 H ASN 34 48.541 14.034 -38.401 245 HA ASN 34 HA ASN 34 50.929 12.493 -39.057 246 1HB ASN 34 1HB ASN 34 52.125 14.219 -37.750 247 2HB ASN 34 2HB ASN 34 51.153 14.917 -39.043 248 2HD2 ASN 34 1HD2 ASN 34 51.499 14.506 -35.614 249 1HD2 ASN 34 2HD2 ASN 34 50.351 15.711 -35.149 250 H GLY 35 H GLY 35 48.647 12.962 -36.469 251 1HA GLY 35 1HA GLY 35 49.738 10.677 -35.074 252 2HA GLY 35 2HA GLY 35 49.911 12.195 -34.204 253 H VAL 36 H VAL 36 48.572 11.414 -32.537 254 HA VAL 36 HA VAL 36 45.711 11.426 -33.231 255 HB VAL 36 HB VAL 36 47.240 9.453 -31.618 256 1HG1 VAL 36 1HG1 VAL 36 44.512 10.437 -30.819 257 2HG1 VAL 36 2HG1 VAL 36 45.119 8.839 -30.385 258 3HG1 VAL 36 3HG1 VAL 36 45.954 10.285 -29.815 259 1HG2 VAL 36 1HG2 VAL 36 46.094 9.155 -33.903 260 2HG2 VAL 36 2HG2 VAL 36 45.905 7.894 -32.683 261 3HG2 VAL 36 3HG2 VAL 36 44.604 9.052 -32.964 262 H SER 37 H SER 37 44.602 12.972 -32.248 263 HA SER 37 HA SER 37 45.737 14.197 -29.821 264 1HB SER 37 1HB SER 37 45.331 15.507 -32.106 265 2HB SER 37 2HB SER 37 43.697 15.635 -31.457 266 HG SER 37 HG SER 37 45.492 16.197 -29.540 267 H CYS 38 H CYS 38 44.516 14.313 -28.006 268 HA CYS 38 HA CYS 38 41.687 13.541 -28.203 269 1HB CYS 38 1HB CYS 38 43.336 12.586 -25.895 270 2HB CYS 38 2HB CYS 38 41.840 11.924 -26.544 271 H GLN 39 H GLN 39 40.355 14.239 -26.448 272 HA GLN 39 HA GLN 39 41.460 16.570 -25.021 273 1HB GLN 39 1HB GLN 39 38.643 16.082 -26.005 274 2HB GLN 39 2HB GLN 39 39.133 17.456 -25.023 275 1HG GLN 39 1HG GLN 39 40.714 18.102 -26.828 276 2HG GLN 39 2HG GLN 39 40.043 16.805 -27.814 277 2HE2 GLN 39 1HE2 GLN 39 37.349 17.211 -26.751 278 1HE2 GLN 39 2HE2 GLN 39 36.747 18.639 -27.514 279 H GLU 40 H GLU 40 41.923 15.849 -23.022 280 HA GLU 40 HA GLU 40 40.746 13.768 -21.640 281 1HB GLU 40 1HB GLU 40 42.688 15.718 -21.107 282 2HB GLU 40 2HB GLU 40 41.501 15.884 -19.821 283 1HG GLU 40 1HG GLU 40 41.707 13.385 -19.491 284 2HG GLU 40 2HG GLU 40 43.112 13.461 -20.554 285 H THR 41 H THR 41 39.181 13.637 -20.006 286 HA THR 41 HA THR 41 37.377 14.301 -18.721 287 HB THR 41 HB THR 41 37.224 16.910 -20.210 288 HG1 THR 41 HG1 THR 41 39.094 16.075 -18.290 289 1HG2 THR 41 1HG2 THR 41 35.388 16.201 -18.667 290 2HG2 THR 41 2HG2 THR 41 36.561 16.214 -17.350 291 3HG2 THR 41 3HG2 THR 41 36.177 17.709 -18.204 292 H ALA 42 H ALA 42 37.124 15.687 -22.001 293 HA ALA 42 HA ALA 42 35.734 15.122 -23.740 294 1HB ALA 42 3HB ALA 42 34.518 13.116 -23.756 295 2HB ALA 42 1HB ALA 42 35.940 12.768 -22.773 296 3HB ALA 42 2HB ALA 42 34.387 13.081 -21.998 297 H VAL 43 H VAL 43 34.039 14.903 -20.610 298 HA VAL 43 HA VAL 43 31.785 16.389 -21.702 299 HB VAL 43 HB VAL 43 30.634 15.903 -19.648 300 1HG1 VAL 43 1HG1 VAL 43 31.072 14.091 -21.438 301 2HG1 VAL 43 2HG1 VAL 43 32.114 13.364 -20.216 302 3HG1 VAL 43 3HG1 VAL 43 30.399 13.606 -19.882 303 1HG2 VAL 43 1HG2 VAL 43 33.264 14.815 -18.642 304 2HG2 VAL 43 2HG2 VAL 43 32.450 16.273 -18.076 305 3HG2 VAL 43 3HG2 VAL 43 31.719 14.692 -17.801 306 H THR 44 H THR 44 30.891 17.775 -19.505 307 HA THR 44 HA THR 44 32.933 19.434 -18.380 308 HB THR 44 HB THR 44 32.842 20.349 -20.685 309 HG1 THR 44 HG1 THR 44 33.238 21.683 -18.760 310 1HG2 THR 44 1HG2 THR 44 30.290 19.838 -20.813 311 2HG2 THR 44 2HG2 THR 44 30.118 21.432 -20.078 312 3HG2 THR 44 3HG2 THR 44 30.932 21.261 -21.633 313 H GLN 45 H GLN 45 31.377 21.739 -17.960 314 HA GLN 45 HA GLN 45 29.550 20.719 -15.946 315 1HB GLN 45 2HB GLN 45 29.515 22.947 -15.066 316 2HB GLN 45 1HB GLN 45 30.210 23.605 -16.540 317 1HG GLN 45 1HG GLN 45 31.675 21.640 -14.809 318 2HG GLN 45 2HG GLN 45 32.323 22.675 -16.080 319 2HE2 GLN 45 1HE2 GLN 45 32.724 22.314 -13.050 320 1HE2 GLN 45 2HE2 GLN 45 32.731 23.937 -12.458 321 H THR 46 H THR 46 27.368 21.312 -15.771 322 HA THR 46 HA THR 46 26.155 22.324 -18.262 323 HB THR 46 HB THR 46 24.126 20.898 -17.470 324 HG1 THR 46 HG1 THR 46 26.089 19.185 -16.422 325 1HG2 THR 46 1HG2 THR 46 26.393 20.342 -19.137 326 2HG2 THR 46 2HG2 THR 46 25.814 18.847 -18.403 327 3HG2 THR 46 3HG2 THR 46 24.713 19.850 -19.346 328 H TYR 47 H TYR 47 24.649 23.897 -18.076 329 HA TYR 47 HA TYR 47 23.452 24.480 -15.488 330 1HB TYR 47 1HB TYR 47 24.109 26.882 -15.629 331 2HB TYR 47 2HB TYR 47 25.473 25.799 -15.375 332 HD1 TYR 47 HD1 TYR 47 23.636 27.599 -18.070 333 HD2 TYR 47 HD2 TYR 47 27.330 25.929 -16.779 334 HE1 TYR 47 HE1 TYR 47 24.750 28.555 -20.042 335 HE2 TYR 47 HE2 TYR 47 28.453 26.879 -18.747 336 HH TYR 47 HH TYR 47 26.705 28.270 -21.371 337 H GLY 48 H GLY 48 21.683 26.005 -15.618 338 1HA GLY 48 1HA GLY 48 19.639 26.491 -16.583 339 2HA GLY 48 2HA GLY 48 20.660 27.350 -17.727 340 H GLY 49 H GLY 49 19.770 26.971 -19.659 341 1HA GLY 49 1HA GLY 49 19.362 25.764 -21.587 342 2HA GLY 49 2HA GLY 49 19.907 24.319 -20.751 343 H ASN 50 H ASN 50 18.398 22.810 -20.611 344 HA ASN 50 HA ASN 50 15.595 23.668 -20.300 345 1HB ASN 50 1HB ASN 50 16.712 22.156 -22.380 346 2HB ASN 50 2HB ASN 50 15.856 20.993 -21.373 347 2HD2 ASN 50 1HD2 ASN 50 15.111 24.384 -22.013 348 1HD2 ASN 50 2HD2 ASN 50 13.570 24.092 -22.739 349 H SER 51 H SER 51 18.162 21.647 -19.175 350 HA SER 51 HA SER 51 16.341 20.338 -17.271 351 1HB SER 51 1HB SER 51 18.791 19.472 -18.664 352 2HB SER 51 2HB SER 51 18.713 19.026 -16.960 353 HG SER 51 HG SER 51 17.417 17.947 -19.042 354 H ASN 52 H ASN 52 18.125 23.009 -17.393 355 HA ASN 52 HA ASN 52 19.111 24.375 -15.866 356 1HB ASN 52 1HB ASN 52 17.090 24.048 -14.579 357 2HB ASN 52 2HB ASN 52 17.690 22.516 -13.950 358 2HD2 ASN 52 1HD2 ASN 52 19.531 25.478 -14.347 359 1HD2 ASN 52 2HD2 ASN 52 19.819 25.745 -12.664 360 H GLY 53 H GLY 53 20.378 21.742 -16.734 361 1HA GLY 53 1HA GLY 53 22.853 21.713 -16.182 362 2HA GLY 53 2HA GLY 53 22.318 21.491 -14.523 363 H GLU 54 H GLU 54 21.997 19.479 -13.795 364 HA GLU 54 HA GLU 54 22.033 17.207 -13.732 365 1HB GLU 54 1HB GLU 54 20.460 17.681 -16.257 366 2HB GLU 54 2HB GLU 54 20.731 16.070 -15.610 367 1HG GLU 54 1HG GLU 54 19.775 17.145 -13.414 368 2HG GLU 54 2HG GLU 54 19.057 18.282 -14.553 369 HA PRO 55 HA PRO 55 25.431 15.720 -16.111 370 1HB PRO 55 1HB PRO 55 25.169 13.060 -15.894 371 2HB PRO 55 2HB PRO 55 25.516 14.073 -14.487 372 1HG PRO 55 2HG PRO 55 23.593 13.016 -13.736 373 2HG PRO 55 1HG PRO 55 22.920 12.879 -15.369 374 1HD PRO 55 1HD PRO 55 21.700 14.721 -14.787 375 2HD PRO 55 2HD PRO 55 22.807 15.145 -13.467 376 H CYS 56 H CYS 56 25.977 15.273 -18.182 377 HA CYS 56 HA CYS 56 23.959 15.068 -20.156 378 1HB CYS 56 1HB CYS 56 26.905 14.509 -20.528 379 2HB CYS 56 2HB CYS 56 25.750 15.009 -21.758 380 H VAL 57 H VAL 57 24.341 13.332 -21.986 381 HA VAL 57 HA VAL 57 24.786 10.679 -20.840 382 HB VAL 57 HB VAL 57 22.345 11.238 -20.614 383 1HG1 VAL 57 1HG1 VAL 57 22.637 12.222 -23.176 384 2HG1 VAL 57 2HG1 VAL 57 21.746 10.717 -23.405 385 3HG1 VAL 57 3HG1 VAL 57 21.115 11.959 -22.324 386 1HG2 VAL 57 1HG2 VAL 57 23.223 8.919 -20.755 387 2HG2 VAL 57 2HG2 VAL 57 21.582 9.086 -21.381 388 3HG2 VAL 57 3HG2 VAL 57 22.943 8.957 -22.496 389 H LEU 58 H LEU 58 26.645 11.476 -22.394 390 HA LEU 58 HA LEU 58 25.977 10.627 -25.123 391 1HB LEU 58 1HB LEU 58 28.284 11.733 -25.610 392 2HB LEU 58 2HB LEU 58 26.851 12.724 -25.424 393 HG LEU 58 HG LEU 58 28.884 13.616 -24.292 394 1HD1 LEU 58 1HD1 LEU 58 26.237 13.479 -23.369 395 2HD1 LEU 58 2HD1 LEU 58 27.274 13.286 -21.955 396 3HD1 LEU 58 3HD1 LEU 58 27.456 14.698 -22.996 397 1HD2 LEU 58 1HD2 LEU 58 29.625 11.274 -23.575 398 2HD2 LEU 58 2HD2 LEU 58 29.833 12.590 -22.421 399 3HD2 LEU 58 3HD2 LEU 58 28.490 11.463 -22.241 400 HA PRO 59 HA PRO 59 27.869 10.504 -26.955 401 1HB PRO 59 2HB PRO 59 28.757 9.156 -28.555 402 2HB PRO 59 1HB PRO 59 27.691 7.818 -28.133 403 1HG PRO 59 1HG PRO 59 29.684 6.966 -27.315 404 2HG PRO 59 2HG PRO 59 30.335 8.580 -26.966 405 1HD PRO 59 1HD PRO 59 28.376 6.946 -25.398 406 2HD PRO 59 2HD PRO 59 29.737 7.930 -24.819 407 H PHE 60 H PHE 60 26.022 11.040 -27.952 408 HA PHE 60 HA PHE 60 23.689 9.273 -27.612 409 1HB PHE 60 1HB PHE 60 22.352 11.468 -27.529 410 2HB PHE 60 2HB PHE 60 23.262 11.022 -26.089 411 HD1 PHE 60 HD1 PHE 60 23.717 12.953 -29.246 412 HD2 PHE 60 HD2 PHE 60 24.532 12.645 -25.081 413 HE1 PHE 60 HE1 PHE 60 24.877 15.120 -29.317 414 HE2 PHE 60 HE2 PHE 60 25.694 14.815 -25.145 415 HZ PHE 60 HZ PHE 60 25.871 16.048 -27.267 416 H THR 61 H THR 61 21.834 10.296 -29.126 417 HA THR 61 HA THR 61 23.079 10.812 -31.746 418 HB THR 61 HB THR 61 20.497 9.429 -31.860 419 HG1 THR 61 HG1 THR 61 21.004 7.861 -30.543 420 1HG2 THR 61 1HG2 THR 61 23.207 8.927 -33.094 421 2HG2 THR 61 2HG2 THR 61 21.727 8.067 -33.518 422 3HG2 THR 61 3HG2 THR 61 21.863 9.797 -33.832 423 H TYR 62 H TYR 62 22.366 12.566 -32.757 424 HA TYR 62 HA TYR 62 19.674 13.566 -32.179 425 1HB TYR 62 1HB TYR 62 20.987 14.925 -30.740 426 2HB TYR 62 2HB TYR 62 22.237 15.141 -31.962 427 HD1 TYR 62 HD1 TYR 62 18.534 15.520 -32.178 428 HD2 TYR 62 HD2 TYR 62 22.334 17.418 -32.429 429 HE1 TYR 62 HE1 TYR 62 17.443 17.594 -32.922 430 HE2 TYR 62 HE2 TYR 62 21.251 19.498 -33.171 431 HH TYR 62 HH TYR 62 17.748 19.823 -33.241 432 H ASN 63 H ASN 63 18.597 13.982 -33.982 433 HA ASN 63 HA ASN 63 18.098 14.496 -36.138 434 1HB ASN 63 1HB ASN 63 20.826 15.750 -35.937 435 2HB ASN 63 2HB ASN 63 19.928 15.754 -37.450 436 2HD2 ASN 63 1HD2 ASN 63 20.628 18.095 -36.300 437 1HD2 ASN 63 2HD2 ASN 63 19.232 18.892 -35.670 438 H GLY 64 H GLY 64 20.059 12.148 -35.216 439 1HA GLY 64 1HA GLY 64 20.098 10.142 -36.587 440 2HA GLY 64 2HA GLY 64 20.416 11.169 -37.976 441 H ARG 65 H ARG 65 22.302 12.655 -35.941 442 HA ARG 65 HA ARG 65 24.606 10.969 -36.597 443 1HB ARG 65 2HB ARG 65 24.615 13.340 -37.334 444 2HB ARG 65 1HB ARG 65 25.972 12.927 -36.295 445 1HG ARG 65 1HG ARG 65 23.948 13.852 -34.590 446 2HG ARG 65 2HG ARG 65 25.462 14.651 -35.018 447 1HD ARG 65 1HD ARG 65 23.107 14.829 -36.848 448 2HD ARG 65 2HD ARG 65 23.190 15.862 -35.422 449 HE ARG 65 HE ARG 65 25.617 16.112 -36.724 450 1HH1 ARG 65 1HH1 ARG 65 22.262 16.745 -37.399 451 2HH1 ARG 65 2HH1 ARG 65 22.590 18.062 -38.474 452 1HH2 ARG 65 1HH2 ARG 65 26.065 17.845 -38.140 453 2HH2 ARG 65 2HH2 ARG 65 24.754 18.688 -38.896 454 H THR 66 H THR 66 26.458 11.822 -34.765 455 HA THR 66 HA THR 66 25.334 11.244 -32.122 456 HB THR 66 HB THR 66 27.756 9.745 -33.109 457 HG1 THR 66 HG1 THR 66 25.083 8.763 -32.972 458 1HG2 THR 66 1HG2 THR 66 27.074 10.134 -30.597 459 2HG2 THR 66 2HG2 THR 66 25.926 8.839 -30.935 460 3HG2 THR 66 3HG2 THR 66 27.656 8.560 -31.140 461 H PHE 67 H PHE 67 26.616 11.919 -30.369 462 HA PHE 67 HA PHE 67 29.053 13.421 -30.999 463 1HB PHE 67 1HB PHE 67 27.021 14.606 -29.133 464 2HB PHE 67 2HB PHE 67 28.351 15.400 -29.968 465 HD1 PHE 67 HD1 PHE 67 25.332 13.407 -30.935 466 HD2 PHE 67 HD2 PHE 67 27.723 16.869 -31.588 467 HE1 PHE 67 HE1 PHE 67 23.790 14.136 -32.707 468 HE2 PHE 67 HE2 PHE 67 26.182 17.604 -33.358 469 HZ PHE 67 HZ PHE 67 24.217 16.237 -33.920 470 H TYR 68 H TYR 68 30.624 13.267 -29.473 471 HA TYR 68 HA TYR 68 30.136 11.461 -27.252 472 1HB TYR 68 1HB TYR 68 32.606 12.652 -28.487 473 2HB TYR 68 2HB TYR 68 32.677 11.840 -26.926 474 HD1 TYR 68 HD1 TYR 68 30.148 10.329 -28.786 475 HD2 TYR 68 HD2 TYR 68 34.384 10.514 -28.492 476 HE1 TYR 68 HE1 TYR 68 30.311 8.159 -29.929 477 HE2 TYR 68 HE2 TYR 68 34.567 8.345 -29.631 478 HH TYR 68 HH TYR 68 32.110 6.956 -31.344 479 H SER 69 H SER 69 29.771 14.688 -27.682 480 HA SER 69 HA SER 69 29.658 15.215 -24.882 481 1HB SER 69 1HB SER 69 31.826 16.590 -26.487 482 2HB SER 69 2HB SER 69 31.324 17.060 -24.864 483 HG SER 69 HG SER 69 31.911 14.896 -24.212 484 H CYS 70 H CYS 70 29.361 17.756 -24.607 485 HA CYS 70 HA CYS 70 26.979 18.481 -25.698 486 1HB CYS 70 2HB CYS 70 27.378 20.679 -24.917 487 2HB CYS 70 1HB CYS 70 29.118 20.524 -25.125 488 H THR 71 H THR 71 26.564 20.415 -27.169 489 HA THR 71 HA THR 71 28.396 21.023 -29.250 490 HB THR 71 HB THR 71 27.889 18.738 -29.978 491 HG1 THR 71 HG1 THR 71 27.317 19.304 -32.087 492 1HG2 THR 71 1HG2 THR 71 25.042 19.709 -29.842 493 2HG2 THR 71 2HG2 THR 71 25.518 18.324 -30.825 494 3HG2 THR 71 3HG2 THR 71 25.755 18.286 -29.078 495 H THR 72 H THR 72 27.409 22.366 -30.946 496 HA THR 72 HA THR 72 24.961 23.686 -29.967 497 HB THR 72 HB THR 72 25.913 25.678 -31.348 498 HG1 THR 72 HG1 THR 72 27.691 24.358 -32.178 499 1HG2 THR 72 1HG2 THR 72 26.395 24.768 -28.625 500 2HG2 THR 72 2HG2 THR 72 27.630 25.890 -29.197 501 3HG2 THR 72 3HG2 THR 72 25.932 26.363 -29.218 502 H GLU 73 H GLU 73 25.068 21.427 -31.774 503 HA GLU 73 HA GLU 73 24.546 22.459 -34.423 504 1HB GLU 73 1HB GLU 73 24.361 19.688 -33.238 505 2HB GLU 73 2HB GLU 73 23.986 20.052 -34.916 506 1HG GLU 73 1HG GLU 73 26.644 20.552 -33.599 507 2HG GLU 73 2HG GLU 73 26.253 19.151 -34.597 508 H GLY 74 H GLY 74 22.813 22.725 -31.757 509 1HA GLY 74 1HA GLY 74 20.247 22.162 -33.110 510 2HA GLY 74 2HA GLY 74 20.469 22.061 -31.370 511 H ARG 75 H ARG 75 22.268 24.613 -32.024 512 HA ARG 75 HA ARG 75 20.054 26.536 -32.175 513 1HB ARG 75 1HB ARG 75 21.470 27.852 -30.400 514 2HB ARG 75 2HB ARG 75 20.336 26.610 -29.889 515 1HG ARG 75 1HG ARG 75 22.537 25.109 -30.178 516 2HG ARG 75 2HG ARG 75 23.279 26.657 -29.769 517 1HD ARG 75 1HD ARG 75 21.309 25.048 -28.167 518 2HD ARG 75 2HD ARG 75 22.946 25.527 -27.724 519 HE ARG 75 HE ARG 75 22.174 27.675 -27.231 520 1HH1 ARG 75 1HH1 ARG 75 19.593 25.642 -28.417 521 2HH1 ARG 75 2HH1 ARG 75 18.341 26.695 -27.854 522 1HH2 ARG 75 1HH2 ARG 75 20.525 29.057 -26.494 523 2HH2 ARG 75 2HH2 ARG 75 18.868 28.633 -26.764 524 H GLN 76 H GLN 76 20.969 28.837 -32.381 525 HA GLN 76 HA GLN 76 23.332 28.766 -34.141 526 1HB GLN 76 2HB GLN 76 20.990 29.199 -35.174 527 2HB GLN 76 1HB GLN 76 22.337 30.226 -35.647 528 1HG GLN 76 2HG GLN 76 21.035 31.336 -33.352 529 2HG GLN 76 1HG GLN 76 19.851 31.005 -34.615 530 2HE2 GLN 76 1HE2 GLN 76 20.313 33.567 -33.878 531 1HE2 GLN 76 2HE2 GLN 76 21.157 34.409 -35.130 532 H ASP 77 H ASP 77 22.626 29.535 -31.179 533 HA ASP 77 HA ASP 77 23.545 32.285 -31.113 534 1HB ASP 77 1HB ASP 77 23.429 31.788 -28.553 535 2HB ASP 77 2HB ASP 77 21.935 31.950 -29.471 536 H GLY 78 H GLY 78 24.688 29.089 -30.117 537 1HA GLY 78 1HA GLY 78 27.069 28.624 -30.525 538 2HA GLY 78 2HA GLY 78 27.404 30.242 -29.928 539 H HIS 79 H HIS 79 25.052 28.158 -28.401 540 HA HIS 79 HA HIS 79 26.843 27.965 -26.074 541 1HB HIS 79 1HB HIS 79 23.857 27.598 -25.982 542 2HB HIS 79 2HB HIS 79 24.954 27.988 -24.661 543 HD1 HIS 79 HD1 HIS 79 26.348 30.314 -26.499 544 HD2 HIS 79 HD2 HIS 79 22.350 29.917 -25.436 545 HE1 HIS 79 HE1 HIS 79 25.372 32.624 -26.677 546 HE2 HIS 79 HE2 HIS 79 22.975 32.375 -25.943 547 H LEU 80 H LEU 80 27.675 26.030 -25.678 548 HA LEU 80 HA LEU 80 26.958 23.704 -27.087 549 1HB LEU 80 1HB LEU 80 28.665 24.256 -24.689 550 2HB LEU 80 2HB LEU 80 28.318 22.601 -25.150 551 HG LEU 80 HG LEU 80 29.320 23.001 -27.360 552 1HD1 LEU 80 1HD1 LEU 80 29.685 25.766 -26.257 553 2HD1 LEU 80 2HD1 LEU 80 30.720 25.134 -27.537 554 3HD1 LEU 80 3HD1 LEU 80 28.980 25.270 -27.796 555 1HD2 LEU 80 1HD2 LEU 80 30.609 22.374 -25.167 556 2HD2 LEU 80 2HD2 LEU 80 31.488 22.730 -26.655 557 3HD2 LEU 80 3HD2 LEU 80 31.349 23.959 -25.396 558 H TRP 81 H TRP 81 25.709 21.959 -26.572 559 HA TRP 81 HA TRP 81 24.391 21.869 -23.970 560 1HB TRP 81 2HB TRP 81 22.925 23.198 -25.500 561 2HB TRP 81 1HB TRP 81 22.170 21.728 -24.893 562 HD1 TRP 81 HD1 TRP 81 22.857 23.536 -28.046 563 HE1 TRP 81 HE1 TRP 81 22.259 22.068 -30.072 564 HE3 TRP 81 HE3 TRP 81 22.321 19.039 -25.666 565 HZ2 TRP 81 HZ2 TRP 81 21.638 19.366 -30.594 566 HZ3 TRP 81 HZ3 TRP 81 21.722 17.064 -27.003 567 HH2 TRP 81 HH2 TRP 81 21.389 17.225 -29.416 568 H CYS 82 H CYS 82 24.019 19.830 -23.263 569 HA CYS 82 HA CYS 82 24.574 17.643 -25.158 570 1HB CYS 82 1HB CYS 82 25.374 16.337 -23.222 571 2HB CYS 82 2HB CYS 82 26.310 17.809 -23.457 572 H SER 83 H SER 83 23.636 15.478 -24.196 573 HA SER 83 HA SER 83 20.790 16.001 -23.744 574 1HB SER 83 1HB SER 83 21.117 14.597 -25.630 575 2HB SER 83 2HB SER 83 22.293 13.597 -24.777 576 HG SER 83 HG SER 83 19.834 13.713 -23.563 577 H THR 84 H THR 84 19.687 15.262 -21.988 578 HA THR 84 HA THR 84 21.292 14.413 -19.724 579 HB THR 84 HB THR 84 19.032 14.560 -18.512 580 HG1 THR 84 HG1 THR 84 18.280 16.108 -20.764 581 1HG2 THR 84 1HG2 THR 84 20.947 16.336 -18.740 582 2HG2 THR 84 2HG2 THR 84 19.761 17.194 -19.724 583 3HG2 THR 84 3HG2 THR 84 19.392 16.794 -18.045 584 H THR 85 H THR 85 19.047 13.055 -21.993 585 HA THR 85 HA THR 85 19.267 10.481 -20.587 586 HB THR 85 HB THR 85 16.937 11.672 -20.540 587 HG1 THR 85 HG1 THR 85 16.001 9.614 -20.496 588 1HG2 THR 85 1HG2 THR 85 17.166 11.816 -23.184 589 2HG2 THR 85 2HG2 THR 85 16.451 10.206 -23.080 590 3HG2 THR 85 3HG2 THR 85 15.602 11.593 -22.397 591 H SER 86 H SER 86 18.785 8.606 -22.062 592 HA SER 86 HA SER 86 20.533 8.674 -24.271 593 1HB SER 86 1HB SER 86 20.351 6.549 -23.370 594 2HB SER 86 2HB SER 86 18.604 6.673 -23.164 595 HG SER 86 HG SER 86 18.306 6.197 -25.262 596 H ASN 87 H ASN 87 16.982 8.346 -24.166 597 HA ASN 87 HA ASN 87 16.829 8.845 -27.023 598 1HB ASN 87 1HB ASN 87 15.279 7.386 -25.232 599 2HB ASN 87 2HB ASN 87 14.282 8.783 -25.620 600 2HD2 ASN 87 1HD2 ASN 87 12.961 6.985 -26.525 601 1HD2 ASN 87 2HD2 ASN 87 13.249 6.537 -28.170 602 H TYR 88 H TYR 88 17.710 11.035 -26.840 603 HA TYR 88 HA TYR 88 16.176 13.059 -25.506 604 1HB TYR 88 1HB TYR 88 18.425 13.640 -25.677 605 2HB TYR 88 2HB TYR 88 18.555 13.049 -27.331 606 HD1 TYR 88 HD1 TYR 88 17.770 14.419 -29.206 607 HD2 TYR 88 HD2 TYR 88 17.648 15.871 -25.210 608 HE1 TYR 88 HE1 TYR 88 17.455 16.706 -30.054 609 HE2 TYR 88 HE2 TYR 88 17.332 18.161 -26.044 610 HH TYR 88 HH TYR 88 16.778 19.389 -27.894 611 H GLU 89 H GLU 89 15.958 11.429 -28.475 612 HA GLU 89 HA GLU 89 14.688 13.533 -29.959 613 1HB GLU 89 1HB GLU 89 14.957 10.568 -30.454 614 2HB GLU 89 2HB GLU 89 14.148 11.665 -31.566 615 1HG GLU 89 1HG GLU 89 16.384 12.985 -31.467 616 2HG GLU 89 2HG GLU 89 17.043 11.457 -30.883 617 H GLN 90 H GLN 90 13.675 11.588 -27.450 618 HA GLN 90 HA GLN 90 10.865 11.852 -28.286 619 1HB GLN 90 1HB GLN 90 10.334 9.795 -27.452 620 2HB GLN 90 2HB GLN 90 12.010 9.488 -27.879 621 1HG GLN 90 1HG GLN 90 12.707 9.774 -25.609 622 2HG GLN 90 2HG GLN 90 11.097 10.311 -25.135 623 2HE2 GLN 90 1HE2 GLN 90 12.426 8.213 -23.887 624 1HE2 GLN 90 2HE2 GLN 90 11.572 6.745 -24.205 625 H ASP 91 H ASP 91 13.060 11.873 -25.513 626 HA ASP 91 HA ASP 91 11.128 12.921 -23.698 627 1HB ASP 91 1HB ASP 91 14.071 12.442 -23.648 628 2HB ASP 91 2HB ASP 91 13.395 13.550 -22.460 629 H GLN 92 H GLN 92 13.978 14.397 -25.247 630 HA GLN 92 HA GLN 92 14.250 16.498 -26.122 631 1HB GLN 92 1HB GLN 92 11.508 16.286 -26.090 632 2HB GLN 92 2HB GLN 92 11.793 17.715 -25.106 633 1HG GLN 92 1HG GLN 92 12.176 18.938 -26.903 634 2HG GLN 92 2HG GLN 92 13.433 17.825 -27.443 635 2HE2 GLN 92 1HE2 GLN 92 11.946 15.552 -27.882 636 1HE2 GLN 92 2HE2 GLN 92 10.862 15.822 -29.201 637 H LYS 93 H LYS 93 15.248 15.771 -23.634 638 HA LYS 93 HA LYS 93 15.101 18.339 -22.202 639 1HB LYS 93 1HB LYS 93 15.993 16.458 -20.343 640 2HB LYS 93 2HB LYS 93 14.418 17.237 -20.387 641 1HG LYS 93 2HG LYS 93 13.931 15.268 -22.104 642 2HG LYS 93 1HG LYS 93 13.735 15.087 -20.362 643 1HD LYS 93 1HD LYS 93 15.135 13.355 -21.815 644 2HD LYS 93 2HD LYS 93 16.415 14.529 -21.504 645 1HE LYS 93 1HE LYS 93 16.691 13.283 -19.636 646 2HE LYS 93 2HE LYS 93 15.401 14.323 -19.035 647 1HZ LYS 93 1HZ LYS 93 14.122 12.260 -20.316 648 2HZ LYS 93 2HZ LYS 93 15.386 11.513 -19.475 649 3HZ LYS 93 3HZ LYS 93 14.269 12.472 -18.643 650 H TYR 94 H TYR 94 16.897 19.375 -22.710 651 HA TYR 94 HA TYR 94 19.457 17.945 -22.455 652 1HB TYR 94 1HB TYR 94 20.333 19.009 -24.375 653 2HB TYR 94 2HB TYR 94 18.726 18.477 -24.850 654 HD1 TYR 94 HD1 TYR 94 20.544 21.463 -23.552 655 HD2 TYR 94 HD2 TYR 94 17.241 20.001 -25.800 656 HE1 TYR 94 HE1 TYR 94 19.986 23.764 -24.220 657 HE2 TYR 94 HE2 TYR 94 16.677 22.295 -26.476 658 HH TYR 94 HH TYR 94 18.725 25.033 -25.578 659 H SER 95 H SER 95 21.317 19.485 -22.170 660 HA SER 95 HA SER 95 20.523 21.872 -20.642 661 1HB SER 95 1HB SER 95 21.138 20.419 -18.908 662 2HB SER 95 2HB SER 95 22.422 19.675 -19.859 663 HG SER 95 HG SER 95 22.535 21.805 -18.208 664 H PHE 96 H PHE 96 22.724 23.154 -20.162 665 HA PHE 96 HA PHE 96 23.958 23.513 -22.802 666 1HB PHE 96 1HB PHE 96 23.498 25.365 -20.485 667 2HB PHE 96 2HB PHE 96 24.715 25.740 -21.698 668 HD1 PHE 96 HD1 PHE 96 23.380 24.745 -24.136 669 HD2 PHE 96 HD2 PHE 96 21.846 26.970 -20.849 670 HE1 PHE 96 HE1 PHE 96 21.637 25.687 -25.594 671 HE2 PHE 96 HE2 PHE 96 20.098 27.917 -22.301 672 HZ PHE 96 HZ PHE 96 19.992 27.272 -24.676 673 H CYS 97 H CYS 97 26.270 24.584 -22.510 674 HA CYS 97 HA CYS 97 27.800 23.338 -20.381 675 1HB CYS 97 2HB CYS 97 29.321 22.171 -21.906 676 2HB CYS 97 1HB CYS 97 28.351 22.684 -23.282 677 H THR 98 H THR 98 29.331 24.692 -19.733 678 HA THR 98 HA THR 98 29.831 27.134 -21.112 679 HB THR 98 HB THR 98 30.173 27.566 -18.908 680 HG1 THR 98 HG1 THR 98 32.176 28.048 -19.928 681 1HG2 THR 98 1HG2 THR 98 31.138 24.731 -18.707 682 2HG2 THR 98 2HG2 THR 98 31.423 25.881 -17.401 683 3HG2 THR 98 3HG2 THR 98 29.774 25.499 -17.897 684 H ASP 99 H ASP 99 31.950 24.390 -20.333 685 HA ASP 99 HA ASP 99 33.736 23.490 -21.412 686 1HB ASP 99 1HB ASP 99 32.211 23.674 -23.410 687 2HB ASP 99 2HB ASP 99 32.982 25.214 -23.776 688 H HIS 100 H HIS 100 33.530 26.871 -22.558 689 HA HIS 100 HA HIS 100 34.935 28.645 -22.148 690 1HB HIS 100 1HB HIS 100 35.533 27.004 -20.019 691 2HB HIS 100 2HB HIS 100 37.093 27.168 -20.817 692 HD1 HIS 100 HD1 HIS 100 34.503 29.136 -18.967 693 HD2 HIS 100 HD2 HIS 100 38.254 29.705 -20.664 694 HE1 HIS 100 HE1 HIS 100 35.278 31.383 -18.147 695 HE2 HIS 100 HE2 HIS 100 37.595 31.653 -19.095 696 H THR 101 H THR 101 37.263 29.291 -22.713 697 HA THR 101 HA THR 101 38.428 27.466 -24.697 698 HB THR 101 HB THR 101 38.872 29.656 -26.064 699 HG1 THR 101 HG1 THR 101 37.866 31.326 -25.251 700 1HG2 THR 101 1HG2 THR 101 36.176 28.294 -25.994 701 2HG2 THR 101 2HG2 THR 101 36.775 29.290 -27.321 702 3HG2 THR 101 3HG2 THR 101 37.588 27.777 -26.916 No H/Q in entry = 702 Start of MODEL 9 1 H1 TYR 1 H1 TYR 1 48.901 10.523 -41.230 2 H2 TYR 1 H2 TYR 1 49.935 10.698 -42.558 3 H3 TYR 1 H3 TYR 1 48.554 11.667 -42.428 4 HA TYR 1 HA TYR 1 47.117 9.798 -42.716 5 1HB TYR 1 1HB TYR 1 48.394 11.039 -44.651 6 2HB TYR 1 2HB TYR 1 49.193 9.483 -44.856 7 HD1 TYR 1 HD1 TYR 1 45.774 10.956 -44.579 8 HD2 TYR 1 HD2 TYR 1 48.223 7.901 -46.243 9 HE1 TYR 1 HE1 TYR 1 43.867 10.161 -45.913 10 HE2 TYR 1 HE2 TYR 1 46.324 7.098 -47.583 11 HH TYR 1 HH TYR 1 43.723 7.222 -47.350 12 H GLY 2 H GLY 2 47.979 8.467 -40.786 13 1HA GLY 2 1HA GLY 2 48.896 5.908 -41.884 14 2HA GLY 2 2HA GLY 2 49.806 6.607 -40.555 15 H HIS 3 H HIS 3 48.806 4.160 -40.165 16 HA HIS 3 HA HIS 3 46.182 4.073 -39.107 17 1HB HIS 3 1HB HIS 3 48.487 2.280 -39.293 18 2HB HIS 3 2HB HIS 3 47.546 2.047 -37.824 19 HD1 HIS 3 HD1 HIS 3 47.303 1.779 -41.557 20 HD2 HIS 3 HD2 HIS 3 45.036 0.909 -38.186 21 HE1 HIS 3 HE1 HIS 3 45.402 0.352 -42.375 22 HE2 HIS 3 HE2 HIS 3 44.133 -0.285 -40.295 23 H CYS 4 H CYS 4 45.462 4.072 -36.967 24 HA CYS 4 HA CYS 4 47.322 5.332 -35.056 25 1HB CYS 4 1HB CYS 4 44.887 5.907 -34.016 26 2HB CYS 4 2HB CYS 4 45.749 6.963 -35.126 27 H VAL 5 H VAL 5 47.179 4.715 -32.846 28 HA VAL 5 HA VAL 5 45.491 2.610 -31.953 29 HB VAL 5 HB VAL 5 46.786 1.089 -33.187 30 1HG1 VAL 5 1HG1 VAL 5 48.862 3.031 -32.827 31 2HG1 VAL 5 2HG1 VAL 5 49.458 1.425 -32.405 32 3HG1 VAL 5 3HG1 VAL 5 48.754 1.715 -33.996 33 1HG2 VAL 5 1HG2 VAL 5 46.802 1.010 -30.419 34 2HG2 VAL 5 2HG2 VAL 5 47.154 -0.331 -31.509 35 3HG2 VAL 5 3HG2 VAL 5 48.469 0.653 -30.866 36 H THR 6 H THR 6 45.255 2.921 -29.845 37 HA THR 6 HA THR 6 46.469 4.823 -28.321 38 HB THR 6 HB THR 6 45.668 3.684 -26.338 39 HG1 THR 6 HG1 THR 6 45.442 1.568 -26.271 40 1HG2 THR 6 1HG2 THR 6 44.053 4.074 -28.708 41 2HG2 THR 6 2HG2 THR 6 43.369 2.834 -27.658 42 3HG2 THR 6 3HG2 THR 6 43.687 4.449 -27.024 43 H ASP 7 H ASP 7 47.097 1.490 -27.345 44 HA ASP 7 HA ASP 7 49.976 2.084 -27.295 45 1HB ASP 7 1HB ASP 7 48.631 2.143 -25.025 46 2HB ASP 7 2HB ASP 7 48.780 0.392 -25.144 47 H SER 8 H SER 8 47.594 -0.528 -26.943 48 HA SER 8 HA SER 8 48.664 -2.089 -29.027 49 1HB SER 8 1HB SER 8 49.852 -3.800 -27.905 50 2HB SER 8 2HB SER 8 50.472 -2.298 -27.218 51 HG SER 8 HG SER 8 48.901 -4.276 -26.057 52 H GLY 9 H GLY 9 46.124 -1.187 -27.913 53 1HA GLY 9 1HA GLY 9 44.858 -3.825 -27.497 54 2HA GLY 9 2HA GLY 9 44.298 -2.369 -26.691 55 H VAL 10 H VAL 10 44.429 -0.581 -28.831 56 HA VAL 10 HA VAL 10 42.465 -1.711 -30.715 57 HB VAL 10 HB VAL 10 42.387 1.179 -29.923 58 1HG1 VAL 10 1HG1 VAL 10 40.814 -0.646 -31.529 59 2HG1 VAL 10 2HG1 VAL 10 39.830 0.188 -30.326 60 3HG1 VAL 10 3HG1 VAL 10 40.793 1.116 -31.476 61 1HG2 VAL 10 1HG2 VAL 10 41.619 -1.132 -28.269 62 2HG2 VAL 10 2HG2 VAL 10 42.010 0.522 -27.800 63 3HG2 VAL 10 3HG2 VAL 10 40.403 0.137 -28.415 64 H VAL 11 H VAL 11 42.834 -1.355 -32.827 65 HA VAL 11 HA VAL 11 45.064 0.440 -33.525 66 HB VAL 11 HB VAL 11 44.108 -2.009 -35.016 67 1HG1 VAL 11 1HG1 VAL 11 45.264 0.125 -36.153 68 2HG1 VAL 11 2HG1 VAL 11 46.707 -0.741 -35.625 69 3HG1 VAL 11 3HG1 VAL 11 45.547 -1.529 -36.695 70 1HG2 VAL 11 1HG2 VAL 11 45.424 -2.188 -32.759 71 2HG2 VAL 11 2HG2 VAL 11 45.870 -3.198 -34.133 72 3HG2 VAL 11 3HG2 VAL 11 46.805 -1.748 -33.765 73 H TYR 12 H TYR 12 43.695 2.252 -33.741 74 HA TYR 12 HA TYR 12 41.454 2.253 -35.515 75 1HB TYR 12 1HB TYR 12 43.049 4.518 -34.298 76 2HB TYR 12 2HB TYR 12 41.568 4.737 -35.225 77 HD1 TYR 12 HD1 TYR 12 39.420 3.802 -34.322 78 HD2 TYR 12 HD2 TYR 12 42.996 3.918 -32.022 79 HE1 TYR 12 HE1 TYR 12 38.101 3.499 -32.268 80 HE2 TYR 12 HE2 TYR 12 41.688 3.615 -29.960 81 HH TYR 12 HH TYR 12 39.577 2.832 -29.216 82 H SER 13 H SER 13 41.550 4.238 -37.207 83 HA SER 13 HA SER 13 44.003 3.937 -38.794 84 1HB SER 13 1HB SER 13 41.215 3.306 -39.567 85 2HB SER 13 2HB SER 13 42.187 4.152 -40.768 86 HG SER 13 HG SER 13 42.413 1.910 -40.991 87 H VAL 14 H VAL 14 44.655 5.709 -39.954 88 HA VAL 14 HA VAL 14 44.468 8.195 -39.058 89 HB VAL 14 HB VAL 14 45.903 7.809 -40.903 90 1HG1 VAL 14 1HG1 VAL 14 44.183 6.144 -41.926 91 2HG1 VAL 14 2HG1 VAL 14 43.642 7.553 -42.839 92 3HG1 VAL 14 3HG1 VAL 14 45.309 6.998 -42.981 93 1HG2 VAL 14 1HG2 VAL 14 43.718 9.752 -41.630 94 2HG2 VAL 14 2HG2 VAL 14 45.232 10.093 -40.793 95 3HG2 VAL 14 3HG2 VAL 14 45.251 9.636 -42.496 96 H GLY 15 H GLY 15 42.477 8.710 -38.168 97 1HA GLY 15 1HA GLY 15 40.651 10.191 -38.382 98 2HA GLY 15 2HA GLY 15 40.560 9.793 -40.086 99 H MET 16 H MET 16 40.276 8.128 -36.956 100 HA MET 16 HA MET 16 37.922 6.726 -38.043 101 1HB MET 16 1HB MET 16 40.256 5.624 -36.996 102 2HB MET 16 2HB MET 16 39.091 5.486 -35.687 103 1HG MET 16 1HG MET 16 37.801 4.697 -38.081 104 2HG MET 16 2HG MET 16 39.360 3.878 -38.004 105 1HE MET 16 1HE MET 16 39.800 2.067 -37.154 106 2HE MET 16 2HE MET 16 39.322 1.385 -35.599 107 3HE MET 16 3HE MET 16 38.392 1.010 -37.050 108 H GLN 17 H GLN 17 39.255 8.564 -35.409 109 HA GLN 17 HA GLN 17 38.326 9.586 -33.606 110 1HB GLN 17 1HB GLN 17 36.053 9.371 -35.523 111 2HB GLN 17 2HB GLN 17 35.700 9.866 -33.873 112 1HG GLN 17 1HG GLN 17 37.328 11.696 -34.100 113 2HG GLN 17 2HG GLN 17 37.603 11.217 -35.773 114 2HE2 GLN 17 1HE2 GLN 17 34.621 11.445 -33.881 115 1HE2 GLN 17 2HE2 GLN 17 33.840 12.583 -34.920 116 H TRP 18 H TRP 18 37.695 9.011 -31.602 117 HA TRP 18 HA TRP 18 35.772 6.992 -31.059 118 1HB TRP 18 1HB TRP 18 37.163 5.258 -30.181 119 2HB TRP 18 2HB TRP 18 37.753 5.620 -31.799 120 HD1 TRP 18 HD1 TRP 18 38.695 6.108 -28.103 121 HE1 TRP 18 HE1 TRP 18 41.228 6.525 -27.961 122 HE3 TRP 18 HE3 TRP 18 39.750 6.420 -33.098 123 HZ2 TRP 18 HZ2 TRP 18 43.393 6.936 -29.735 124 HZ3 TRP 18 HZ3 TRP 18 42.072 6.823 -33.785 125 HH2 TRP 18 HH2 TRP 18 43.855 7.077 -32.140 126 H LEU 19 H LEU 19 36.252 6.261 -28.554 127 HA LEU 19 HA LEU 19 36.898 8.737 -27.099 128 1HB LEU 19 1HB LEU 19 34.426 8.325 -27.342 129 2HB LEU 19 2HB LEU 19 34.639 6.874 -26.382 130 HG LEU 19 HG LEU 19 35.699 8.546 -24.648 131 1HD1 LEU 19 1HD1 LEU 19 35.161 10.362 -26.578 132 2HD1 LEU 19 2HD1 LEU 19 33.688 10.464 -25.614 133 3HD1 LEU 19 3HD1 LEU 19 35.259 10.743 -24.859 134 1HD2 LEU 19 1HD2 LEU 19 33.721 7.177 -24.260 135 2HD2 LEU 19 2HD2 LEU 19 33.497 8.806 -23.620 136 3HD2 LEU 19 3HD2 LEU 19 32.731 8.342 -25.139 137 H LYS 20 H LYS 20 37.824 8.503 -25.069 138 HA LYS 20 HA LYS 20 38.606 5.762 -24.329 139 1HB LYS 20 1HB LYS 20 40.410 7.293 -25.379 140 2HB LYS 20 2HB LYS 20 40.377 8.140 -23.839 141 1HG LYS 20 1HG LYS 20 42.167 6.448 -23.998 142 2HG LYS 20 2HG LYS 20 41.046 6.158 -22.666 143 1HD LYS 20 1HD LYS 20 40.210 4.850 -25.121 144 2HD LYS 20 2HD LYS 20 41.811 4.329 -24.595 145 1HE LYS 20 1HE LYS 20 40.486 4.278 -22.245 146 2HE LYS 20 2HE LYS 20 39.170 3.901 -23.356 147 1HZ LYS 20 1HZ LYS 20 41.740 2.464 -23.527 148 2HZ LYS 20 2HZ LYS 20 40.560 1.987 -22.412 149 3HZ LYS 20 3HZ LYS 20 40.214 1.977 -24.069 150 H THR 21 H THR 21 38.673 5.265 -22.153 151 HA THR 21 HA THR 21 37.810 7.364 -20.280 152 HB THR 21 HB THR 21 36.697 5.028 -19.268 153 HG1 THR 21 HG1 THR 21 35.876 5.217 -21.974 154 1HG2 THR 21 1HG2 THR 21 35.814 7.407 -19.335 155 2HG2 THR 21 2HG2 THR 21 35.206 7.036 -20.948 156 3HG2 THR 21 3HG2 THR 21 34.618 6.130 -19.553 157 H GLN 22 H GLN 22 38.685 7.274 -18.249 158 HA GLN 22 HA GLN 22 40.904 5.397 -17.913 159 1HB GLN 22 1HB GLN 22 40.219 7.975 -16.495 160 2HB GLN 22 2HB GLN 22 41.580 6.950 -16.061 161 1HG GLN 22 1HG GLN 22 41.754 7.413 -18.836 162 2HG GLN 22 2HG GLN 22 41.413 8.963 -18.068 163 2HE2 GLN 22 1HE2 GLN 22 43.709 9.012 -19.180 164 1HE2 GLN 22 2HE2 GLN 22 45.022 8.760 -18.087 165 H GLY 23 H GLY 23 37.789 5.258 -17.239 166 1HA GLY 23 1HA GLY 23 36.810 3.610 -15.864 167 2HA GLY 23 2HA GLY 23 38.242 3.640 -14.847 168 H ASN 24 H ASN 24 38.163 6.619 -14.739 169 HA ASN 24 HA ASN 24 35.929 6.863 -12.833 170 1HB ASN 24 1HB ASN 24 37.260 8.148 -11.407 171 2HB ASN 24 2HB ASN 24 38.381 6.924 -11.992 172 2HD2 ASN 24 1HD2 ASN 24 37.735 10.224 -11.700 173 1HD2 ASN 24 2HD2 ASN 24 39.059 10.819 -12.637 174 H LYS 25 H LYS 25 37.752 8.434 -15.392 175 HA LYS 25 HA LYS 25 35.611 10.449 -15.583 176 1HB LYS 25 1HB LYS 25 37.170 12.121 -16.215 177 2HB LYS 25 2HB LYS 25 37.842 11.340 -14.789 178 1HG LYS 25 1HG LYS 25 38.918 9.881 -16.855 179 2HG LYS 25 2HG LYS 25 38.897 11.527 -17.492 180 1HD LYS 25 1HD LYS 25 39.795 11.835 -14.892 181 2HD LYS 25 2HD LYS 25 40.575 10.348 -15.433 182 1HE LYS 25 1HE LYS 25 40.591 12.637 -17.311 183 2HE LYS 25 2HE LYS 25 41.604 12.776 -15.875 184 1HZ LYS 25 1HZ LYS 25 42.053 10.243 -16.857 185 2HZ LYS 25 2HZ LYS 25 42.028 11.240 -18.225 186 3HZ LYS 25 3HZ LYS 25 43.098 11.570 -16.957 187 H GLN 26 H GLN 26 35.678 11.510 -17.859 188 HA GLN 26 HA GLN 26 35.883 9.336 -19.836 189 1HB GLN 26 1HB GLN 26 33.762 11.201 -19.203 190 2HB GLN 26 2HB GLN 26 34.229 11.332 -20.893 191 1HG GLN 26 1HG GLN 26 33.784 9.018 -21.269 192 2HG GLN 26 2HG GLN 26 33.533 8.735 -19.546 193 2HE2 GLN 26 1HE2 GLN 26 31.473 7.884 -20.025 194 1HE2 GLN 26 2HE2 GLN 26 30.140 8.922 -20.385 195 H MET 27 H MET 27 36.376 9.986 -22.055 196 HA MET 27 HA MET 27 37.444 12.556 -22.638 197 1HB MET 27 1HB MET 27 39.294 11.854 -21.268 198 2HB MET 27 2HB MET 27 39.392 10.311 -22.103 199 1HG MET 27 1HG MET 27 39.636 12.565 -23.911 200 2HG MET 27 2HG MET 27 40.867 12.569 -22.650 201 1HE MET 27 1HE MET 27 42.842 11.921 -23.050 202 2HE MET 27 2HE MET 27 42.850 10.226 -22.561 203 3HE MET 27 3HE MET 27 43.472 10.689 -24.145 204 H LEU 28 H LEU 28 37.787 12.838 -24.826 205 HA LEU 28 HA LEU 28 37.049 10.543 -26.511 206 1HB LEU 28 1HB LEU 28 35.563 12.445 -26.700 207 2HB LEU 28 2HB LEU 28 36.913 13.513 -27.029 208 HG LEU 28 HG LEU 28 36.991 11.455 -28.977 209 1HD1 LEU 28 1HD1 LEU 28 34.453 11.487 -28.103 210 2HD1 LEU 28 2HD1 LEU 28 34.377 12.776 -29.302 211 3HD1 LEU 28 3HD1 LEU 28 34.903 11.162 -29.776 212 1HD2 LEU 28 1HD2 LEU 28 36.266 14.376 -29.055 213 2HD2 LEU 28 2HD2 LEU 28 37.836 13.645 -29.384 214 3HD2 LEU 28 3HD2 LEU 28 36.491 13.385 -30.495 215 H CYS 29 H CYS 29 38.566 9.614 -27.706 216 HA CYS 29 HA CYS 29 41.046 11.098 -28.252 217 1HB CYS 29 1HB CYS 29 40.446 8.271 -27.620 218 2HB CYS 29 2HB CYS 29 41.698 8.537 -28.829 219 H THR 30 H THR 30 41.898 11.171 -30.329 220 HA THR 30 HA THR 30 40.498 9.827 -32.498 221 HB THR 30 HB THR 30 40.726 12.842 -32.417 222 HG1 THR 30 HG1 THR 30 38.573 11.032 -32.107 223 1HG2 THR 30 1HG2 THR 30 40.150 10.896 -34.585 224 2HG2 THR 30 2HG2 THR 30 39.193 12.377 -34.546 225 3HG2 THR 30 3HG2 THR 30 40.952 12.466 -34.657 226 H CYS 31 H CYS 31 41.679 9.757 -34.449 227 HA CYS 31 HA CYS 31 44.480 10.617 -34.177 228 1HB CYS 31 1HB CYS 31 45.075 8.700 -35.634 229 2HB CYS 31 2HB CYS 31 44.354 8.203 -34.107 230 H LEU 32 H LEU 32 44.630 12.416 -35.314 231 HA LEU 32 HA LEU 32 43.107 12.878 -37.703 232 1HB LEU 32 1HB LEU 32 44.766 14.941 -37.733 233 2HB LEU 32 2HB LEU 32 43.395 14.868 -36.643 234 HG LEU 32 HG LEU 32 45.878 13.721 -35.559 235 1HD1 LEU 32 1HD1 LEU 32 45.780 16.477 -36.609 236 2HD1 LEU 32 2HD1 LEU 32 46.458 16.258 -34.995 237 3HD1 LEU 32 3HD1 LEU 32 47.152 15.395 -36.367 238 1HD2 LEU 32 1HD2 LEU 32 43.761 14.036 -34.297 239 2HD2 LEU 32 2HD2 LEU 32 45.147 14.847 -33.567 240 3HD2 LEU 32 3HD2 LEU 32 43.961 15.780 -34.479 241 H GLY 33 H GLY 33 46.418 13.938 -37.762 242 1HA GLY 33 1HA GLY 33 47.075 11.883 -39.759 243 2HA GLY 33 2HA GLY 33 47.233 13.580 -40.182 244 H ASN 34 H ASN 34 48.242 14.506 -37.707 245 HA ASN 34 HA ASN 34 51.000 13.839 -38.051 246 1HB ASN 34 2HB ASN 34 49.923 16.095 -37.298 247 2HB ASN 34 1HB ASN 34 51.465 15.603 -36.607 248 2HD2 ASN 34 1HD2 ASN 34 51.421 16.455 -34.637 249 1HD2 ASN 34 2HD2 ASN 34 50.195 16.167 -33.455 250 H GLY 35 H GLY 35 48.444 12.817 -35.945 251 1HA GLY 35 1HA GLY 35 49.803 10.534 -35.059 252 2HA GLY 35 2HA GLY 35 49.970 11.771 -33.822 253 H VAL 36 H VAL 36 48.531 11.602 -32.256 254 HA VAL 36 HA VAL 36 45.737 11.105 -32.893 255 HB VAL 36 HB VAL 36 47.381 9.261 -31.171 256 1HG1 VAL 36 1HG1 VAL 36 44.568 10.066 -30.823 257 2HG1 VAL 36 2HG1 VAL 36 44.879 8.331 -30.799 258 3HG1 VAL 36 3HG1 VAL 36 45.709 9.391 -29.661 259 1HG2 VAL 36 1HG2 VAL 36 46.042 9.108 -33.726 260 2HG2 VAL 36 2HG2 VAL 36 47.208 8.005 -32.996 261 3HG2 VAL 36 3HG2 VAL 36 45.491 7.845 -32.624 262 H SER 37 H SER 37 44.661 12.666 -31.901 263 HA SER 37 HA SER 37 45.644 13.618 -29.292 264 1HB SER 37 1HB SER 37 45.780 15.370 -30.965 265 2HB SER 37 2HB SER 37 44.101 15.102 -31.431 266 HG SER 37 HG SER 37 43.481 15.803 -29.360 267 H CYS 38 H CYS 38 44.009 14.326 -27.755 268 HA CYS 38 HA CYS 38 41.328 13.247 -28.191 269 1HB CYS 38 1HB CYS 38 42.735 12.628 -25.614 270 2HB CYS 38 2HB CYS 38 41.313 11.860 -26.309 271 H GLN 39 H GLN 39 39.796 13.925 -26.482 272 HA GLN 39 HA GLN 39 40.564 16.539 -25.362 273 1HB GLN 39 1HB GLN 39 37.888 15.627 -26.432 274 2HB GLN 39 2HB GLN 39 38.152 17.149 -25.592 275 1HG GLN 39 1HG GLN 39 39.336 16.301 -28.222 276 2HG GLN 39 2HG GLN 39 38.122 17.551 -27.949 277 2HE2 GLN 39 1HE2 GLN 39 39.489 18.474 -25.517 278 1HE2 GLN 39 2HE2 GLN 39 40.851 19.383 -26.064 279 H GLU 40 H GLU 40 41.126 15.820 -23.326 280 HA GLU 40 HA GLU 40 39.899 13.936 -21.753 281 1HB GLU 40 1HB GLU 40 40.634 15.628 -19.832 282 2HB GLU 40 2HB GLU 40 41.803 14.688 -20.748 283 1HG GLU 40 1HG GLU 40 42.576 16.497 -21.895 284 2HG GLU 40 2HG GLU 40 41.041 17.360 -21.789 285 H THR 41 H THR 41 38.222 13.892 -20.294 286 HA THR 41 HA THR 41 36.394 14.659 -19.092 287 HB THR 41 HB THR 41 36.308 17.213 -20.665 288 HG1 THR 41 HG1 THR 41 37.936 16.749 -18.368 289 1HG2 THR 41 1HG2 THR 41 35.337 16.222 -18.022 290 2HG2 THR 41 2HG2 THR 41 35.657 17.943 -18.231 291 3HG2 THR 41 3HG2 THR 41 34.479 17.134 -19.264 292 H ALA 42 H ALA 42 36.313 15.958 -22.414 293 HA ALA 42 HA ALA 42 34.807 15.716 -24.106 294 1HB ALA 42 2HB ALA 42 33.759 13.375 -24.232 295 2HB ALA 42 3HB ALA 42 35.516 13.506 -24.328 296 3HB ALA 42 1HB ALA 42 34.750 13.010 -22.819 297 H VAL 43 H VAL 43 33.880 16.515 -21.270 298 HA VAL 43 HA VAL 43 31.016 16.366 -21.902 299 HB VAL 43 HB VAL 43 30.430 16.004 -19.584 300 1HG1 VAL 43 1HG1 VAL 43 32.140 14.091 -21.035 301 2HG1 VAL 43 2HG1 VAL 43 31.869 13.740 -19.328 302 3HG1 VAL 43 3HG1 VAL 43 30.497 13.910 -20.423 303 1HG2 VAL 43 1HG2 VAL 43 32.616 17.168 -18.801 304 2HG2 VAL 43 2HG2 VAL 43 31.915 15.887 -17.812 305 3HG2 VAL 43 3HG2 VAL 43 33.294 15.542 -18.855 306 H THR 44 H THR 44 29.940 17.843 -19.946 307 HA THR 44 HA THR 44 31.392 20.190 -19.277 308 HB THR 44 HB THR 44 29.264 20.701 -21.339 309 HG1 THR 44 HG1 THR 44 30.647 19.912 -22.744 310 1HG2 THR 44 1HG2 THR 44 31.298 22.280 -19.863 311 2HG2 THR 44 2HG2 THR 44 30.956 22.751 -21.528 312 3HG2 THR 44 3HG2 THR 44 29.655 22.712 -20.336 313 H GLN 45 H GLN 45 29.889 21.929 -18.425 314 HA GLN 45 HA GLN 45 28.162 20.816 -16.513 315 1HB GLN 45 2HB GLN 45 27.657 23.056 -15.865 316 2HB GLN 45 1HB GLN 45 28.093 23.683 -17.448 317 1HG GLN 45 1HG GLN 45 30.430 22.585 -16.778 318 2HG GLN 45 2HG GLN 45 29.985 24.240 -16.367 319 2HE2 GLN 45 1HE2 GLN 45 30.331 24.784 -14.346 320 1HE2 GLN 45 2HE2 GLN 45 30.355 23.717 -12.988 321 H THR 46 H THR 46 25.862 21.195 -16.244 322 HA THR 46 HA THR 46 24.395 21.560 -18.762 323 HB THR 46 HB THR 46 22.800 19.735 -17.636 324 HG1 THR 46 HG1 THR 46 24.254 18.056 -16.807 325 1HG2 THR 46 1HG2 THR 46 24.673 19.792 -19.754 326 2HG2 THR 46 2HG2 THR 46 24.851 18.236 -18.945 327 3HG2 THR 46 3HG2 THR 46 23.276 18.732 -19.566 328 H TYR 47 H TYR 47 22.171 22.181 -18.502 329 HA TYR 47 HA TYR 47 21.088 22.813 -15.944 330 1HB TYR 47 1HB TYR 47 21.168 25.212 -16.033 331 2HB TYR 47 2HB TYR 47 22.814 24.617 -16.226 332 HD1 TYR 47 HD1 TYR 47 19.891 25.918 -18.108 333 HD2 TYR 47 HD2 TYR 47 24.086 25.197 -18.120 334 HE1 TYR 47 HE1 TYR 47 20.100 27.198 -20.197 335 HE2 TYR 47 HE2 TYR 47 24.305 26.474 -20.208 336 HH TYR 47 HH TYR 47 23.259 27.844 -21.650 337 H GLY 48 H GLY 48 19.009 23.997 -16.129 338 1HA GLY 48 1HA GLY 48 16.867 23.784 -17.006 339 2HA GLY 48 2HA GLY 48 17.590 24.811 -18.232 340 H GLY 49 H GLY 49 16.970 24.126 -20.163 341 1HA GLY 49 1HA GLY 49 16.924 22.717 -22.004 342 2HA GLY 49 2HA GLY 49 17.607 21.443 -21.005 343 H ASN 50 H ASN 50 16.319 19.746 -20.824 344 HA ASN 50 HA ASN 50 13.416 20.209 -20.659 345 1HB ASN 50 1HB ASN 50 14.818 18.786 -22.658 346 2HB ASN 50 2HB ASN 50 13.997 17.582 -21.669 347 2HD2 ASN 50 1HD2 ASN 50 12.287 16.994 -22.813 348 1HD2 ASN 50 2HD2 ASN 50 11.108 18.065 -23.483 349 H SER 51 H SER 51 16.067 19.216 -19.007 350 HA SER 51 HA SER 51 14.434 17.639 -17.162 351 1HB SER 51 1HB SER 51 16.399 16.493 -18.828 352 2HB SER 51 2HB SER 51 17.111 16.570 -17.216 353 HG SER 51 HG SER 51 14.512 15.557 -17.679 354 H ASN 52 H ASN 52 15.746 20.387 -17.361 355 HA ASN 52 HA ASN 52 16.821 21.867 -16.008 356 1HB ASN 52 1HB ASN 52 15.049 21.204 -14.458 357 2HB ASN 52 2HB ASN 52 16.024 19.849 -13.900 358 2HD2 ASN 52 1HD2 ASN 52 15.658 23.310 -13.901 359 1HD2 ASN 52 2HD2 ASN 52 16.716 23.622 -12.571 360 H GLY 53 H GLY 53 18.505 20.064 -17.324 361 1HA GLY 53 1HA GLY 53 20.854 19.908 -17.241 362 2HA GLY 53 2HA GLY 53 20.783 20.116 -15.497 363 H GLU 54 H GLU 54 21.608 18.382 -14.548 364 HA GLU 54 HA GLU 54 21.712 16.209 -13.820 365 1HB GLU 54 1HB GLU 54 19.881 15.404 -16.072 366 2HB GLU 54 2HB GLU 54 20.172 14.562 -14.556 367 1HG GLU 54 1HG GLU 54 19.161 16.620 -13.431 368 2HG GLU 54 2HG GLU 54 18.586 17.055 -15.039 369 HA PRO 55 HA PRO 55 24.922 14.418 -16.214 370 1HB PRO 55 2HB PRO 55 25.326 12.337 -15.356 371 2HB PRO 55 1HB PRO 55 23.739 11.728 -15.836 372 1HG PRO 55 1HG PRO 55 23.415 11.909 -13.542 373 2HG PRO 55 2HG PRO 55 24.521 13.288 -13.404 374 1HD PRO 55 1HD PRO 55 21.680 13.222 -14.345 375 2HD PRO 55 2HD PRO 55 22.502 14.426 -13.331 376 H CYS 56 H CYS 56 25.278 14.157 -18.340 377 HA CYS 56 HA CYS 56 23.047 13.789 -20.109 378 1HB CYS 56 1HB CYS 56 25.939 13.878 -20.930 379 2HB CYS 56 2HB CYS 56 24.527 14.334 -21.872 380 H VAL 57 H VAL 57 23.623 12.330 -22.150 381 HA VAL 57 HA VAL 57 24.525 9.703 -21.180 382 HB VAL 57 HB VAL 57 22.028 9.873 -21.142 383 1HG1 VAL 57 1HG1 VAL 57 22.495 10.947 -23.750 384 2HG1 VAL 57 2HG1 VAL 57 21.476 9.513 -23.879 385 3HG1 VAL 57 3HG1 VAL 57 20.987 10.851 -22.839 386 1HG2 VAL 57 1HG2 VAL 57 23.651 7.806 -22.003 387 2HG2 VAL 57 2HG2 VAL 57 21.962 7.674 -21.514 388 3HG2 VAL 57 3HG2 VAL 57 22.374 7.871 -23.218 389 H LEU 58 H LEU 58 26.387 10.814 -22.490 390 HA LEU 58 HA LEU 58 26.118 9.925 -25.286 391 1HB LEU 58 1HB LEU 58 28.233 11.870 -24.874 392 2HB LEU 58 2HB LEU 58 26.960 11.836 -26.077 393 HG LEU 58 HG LEU 58 25.409 12.773 -24.330 394 1HD1 LEU 58 1HD1 LEU 58 27.843 12.497 -22.746 395 2HD1 LEU 58 2HD1 LEU 58 27.079 14.082 -22.623 396 3HD1 LEU 58 3HD1 LEU 58 26.159 12.628 -22.239 397 1HD2 LEU 58 1HD2 LEU 58 27.140 14.021 -26.048 398 2HD2 LEU 58 2HD2 LEU 58 25.839 14.808 -25.157 399 3HD2 LEU 58 3HD2 LEU 58 27.479 14.819 -24.515 400 HA PRO 59 HA PRO 59 28.242 10.705 -26.816 401 1HB PRO 59 2HB PRO 59 29.778 9.948 -28.312 402 2HB PRO 59 1HB PRO 59 29.156 8.298 -28.234 403 1HG PRO 59 1HG PRO 59 31.153 7.974 -27.113 404 2HG PRO 59 2HG PRO 59 31.191 9.643 -26.514 405 1HD PRO 59 2HD PRO 59 30.513 8.557 -24.585 406 2HD PRO 59 1HD PRO 59 29.640 7.297 -25.484 407 H PHE 60 H PHE 60 26.223 10.837 -27.566 408 HA PHE 60 HA PHE 60 24.695 8.338 -27.927 409 1HB PHE 60 1HB PHE 60 22.681 9.871 -27.833 410 2HB PHE 60 2HB PHE 60 23.584 9.714 -26.332 411 HD1 PHE 60 HD1 PHE 60 23.665 11.846 -29.394 412 HD2 PHE 60 HD2 PHE 60 23.894 11.647 -25.149 413 HE1 PHE 60 HE1 PHE 60 23.905 14.292 -29.295 414 HE2 PHE 60 HE2 PHE 60 24.133 14.090 -25.045 415 HZ PHE 60 HZ PHE 60 24.140 15.414 -27.118 416 H THR 61 H THR 61 22.731 8.988 -29.578 417 HA THR 61 HA THR 61 24.061 10.021 -32.000 418 HB THR 61 HB THR 61 21.841 8.084 -32.338 419 HG1 THR 61 HG1 THR 61 24.436 7.334 -31.425 420 1HG2 THR 61 1HG2 THR 61 23.064 9.120 -34.231 421 2HG2 THR 61 2HG2 THR 61 24.540 8.333 -33.667 422 3HG2 THR 61 3HG2 THR 61 23.178 7.360 -34.219 423 H TYR 62 H TYR 62 23.133 11.772 -32.805 424 HA TYR 62 HA TYR 62 20.230 12.076 -32.635 425 1HB TYR 62 1HB TYR 62 21.093 13.304 -30.708 426 2HB TYR 62 2HB TYR 62 22.199 14.196 -31.749 427 HD1 TYR 62 HD1 TYR 62 18.620 13.666 -30.957 428 HD2 TYR 62 HD2 TYR 62 21.485 16.130 -32.913 429 HE1 TYR 62 HE1 TYR 62 16.895 15.384 -31.309 430 HE2 TYR 62 HE2 TYR 62 19.768 17.854 -33.270 431 HH TYR 62 HH TYR 62 16.655 17.687 -31.769 432 H ASN 63 H ASN 63 19.328 12.986 -34.403 433 HA ASN 63 HA ASN 63 19.122 13.956 -36.455 434 1HB ASN 63 1HB ASN 63 21.374 15.309 -35.287 435 2HB ASN 63 2HB ASN 63 21.659 15.067 -37.008 436 2HD2 ASN 63 1HD2 ASN 63 20.833 17.376 -35.123 437 1HD2 ASN 63 2HD2 ASN 63 19.562 18.149 -36.000 438 H GLY 64 H GLY 64 21.004 11.444 -35.702 439 1HA GLY 64 1HA GLY 64 21.263 9.662 -37.302 440 2HA GLY 64 2HA GLY 64 21.571 10.875 -38.536 441 H ARG 65 H ARG 65 23.268 12.193 -36.256 442 HA ARG 65 HA ARG 65 25.696 10.675 -36.912 443 1HB ARG 65 1HB ARG 65 26.925 12.737 -36.414 444 2HB ARG 65 2HB ARG 65 25.703 13.006 -37.648 445 1HG ARG 65 1HG ARG 65 24.424 13.572 -35.240 446 2HG ARG 65 2HG ARG 65 26.035 14.269 -35.087 447 1HD ARG 65 1HD ARG 65 24.161 15.703 -36.121 448 2HD ARG 65 2HD ARG 65 25.741 15.680 -36.905 449 HE ARG 65 HE ARG 65 23.997 13.691 -37.958 450 1HH1 ARG 65 1HH1 ARG 65 24.764 17.086 -38.075 451 2HH1 ARG 65 2HH1 ARG 65 24.149 17.302 -39.679 452 1HH2 ARG 65 1HH2 ARG 65 23.186 13.964 -40.072 453 2HH2 ARG 65 2HH2 ARG 65 23.252 15.528 -40.816 454 H THR 66 H THR 66 27.370 11.718 -34.931 455 HA THR 66 HA THR 66 26.131 10.824 -32.421 456 HB THR 66 HB THR 66 28.864 9.930 -33.354 457 HG1 THR 66 HG1 THR 66 26.478 8.979 -34.004 458 1HG2 THR 66 1HG2 THR 66 28.336 10.235 -30.844 459 2HG2 THR 66 2HG2 THR 66 27.304 8.819 -31.044 460 3HG2 THR 66 3HG2 THR 66 29.032 8.703 -31.375 461 H PHE 67 H PHE 67 27.005 11.684 -30.530 462 HA PHE 67 HA PHE 67 29.110 13.699 -30.811 463 1HB PHE 67 1HB PHE 67 26.671 14.340 -29.181 464 2HB PHE 67 2HB PHE 67 27.881 15.434 -29.842 465 HD1 PHE 67 HD1 PHE 67 25.176 13.104 -30.879 466 HD2 PHE 67 HD2 PHE 67 27.453 16.576 -31.807 467 HE1 PHE 67 HE1 PHE 67 23.716 13.541 -32.810 468 HE2 PHE 67 HE2 PHE 67 25.997 17.020 -33.740 469 HZ PHE 67 HZ PHE 67 24.128 15.498 -34.245 470 H TYR 68 H TYR 68 30.609 13.418 -29.304 471 HA TYR 68 HA TYR 68 30.060 11.685 -27.038 472 1HB TYR 68 1HB TYR 68 32.634 12.950 -28.003 473 2HB TYR 68 2HB TYR 68 32.509 11.798 -26.680 474 HD1 TYR 68 HD1 TYR 68 31.390 12.033 -30.251 475 HD2 TYR 68 HD2 TYR 68 33.103 9.639 -27.182 476 HE1 TYR 68 HE1 TYR 68 31.640 10.178 -31.844 477 HE2 TYR 68 HE2 TYR 68 33.363 7.782 -28.763 478 HH TYR 68 HH TYR 68 32.253 7.035 -30.926 479 H SER 69 H SER 69 29.062 14.520 -27.302 480 HA SER 69 HA SER 69 29.270 15.286 -24.615 481 1HB SER 69 1HB SER 69 30.557 17.536 -25.810 482 2HB SER 69 2HB SER 69 31.151 16.499 -24.513 483 HG SER 69 HG SER 69 31.380 15.870 -27.268 484 H CYS 70 H CYS 70 28.728 17.890 -24.568 485 HA CYS 70 HA CYS 70 26.118 18.102 -25.514 486 1HB CYS 70 1HB CYS 70 28.122 20.063 -24.468 487 2HB CYS 70 2HB CYS 70 26.630 20.667 -25.177 488 H THR 71 H THR 71 25.324 19.854 -27.038 489 HA THR 71 HA THR 71 27.057 20.708 -29.147 490 HB THR 71 HB THR 71 26.888 18.408 -29.871 491 HG1 THR 71 HG1 THR 71 25.732 18.829 -31.917 492 1HG2 THR 71 1HG2 THR 71 24.116 18.732 -29.030 493 2HG2 THR 71 2HG2 THR 71 24.265 17.979 -30.618 494 3HG2 THR 71 3HG2 THR 71 25.073 17.262 -29.223 495 H THR 72 H THR 72 25.582 21.420 -31.119 496 HA THR 72 HA THR 72 23.065 22.550 -30.117 497 HB THR 72 HB THR 72 23.756 24.662 -31.503 498 HG1 THR 72 HG1 THR 72 26.337 23.959 -30.605 499 1HG2 THR 72 1HG2 THR 72 24.206 23.885 -28.726 500 2HG2 THR 72 2HG2 THR 72 25.241 25.211 -29.253 501 3HG2 THR 72 3HG2 THR 72 23.488 25.354 -29.386 502 H GLU 73 H GLU 73 23.014 20.389 -31.681 503 HA GLU 73 HA GLU 73 22.583 21.358 -34.424 504 1HB GLU 73 1HB GLU 73 23.515 18.818 -33.274 505 2HB GLU 73 2HB GLU 73 22.353 18.641 -34.582 506 1HG GLU 73 1HG GLU 73 24.840 20.312 -34.791 507 2HG GLU 73 2HG GLU 73 24.758 18.616 -35.268 508 H GLY 74 H GLY 74 20.830 21.171 -31.784 509 1HA GLY 74 1HA GLY 74 18.455 20.105 -33.180 510 2HA GLY 74 2HA GLY 74 18.698 19.947 -31.447 511 H ARG 75 H ARG 75 19.854 22.916 -32.264 512 HA ARG 75 HA ARG 75 17.237 24.206 -31.851 513 1HB ARG 75 1HB ARG 75 18.626 25.996 -30.620 514 2HB ARG 75 2HB ARG 75 18.271 24.496 -29.778 515 1HG ARG 75 1HG ARG 75 20.752 24.363 -31.276 516 2HG ARG 75 2HG ARG 75 20.748 25.657 -30.077 517 1HD ARG 75 1HD ARG 75 21.561 23.336 -29.355 518 2HD ARG 75 2HD ARG 75 20.427 24.178 -28.307 519 HE ARG 75 HE ARG 75 19.880 21.824 -29.945 520 1HH1 ARG 75 1HH1 ARG 75 18.685 24.263 -27.750 521 2HH1 ARG 75 2HH1 ARG 75 17.264 23.367 -27.336 522 1HH2 ARG 75 1HH2 ARG 75 18.008 20.650 -29.401 523 2HH2 ARG 75 2HH2 ARG 75 16.878 21.319 -28.272 524 H GLN 76 H GLN 76 17.535 26.699 -32.272 525 HA GLN 76 HA GLN 76 19.034 27.002 -34.791 526 1HB GLN 76 1HB GLN 76 17.272 28.169 -35.776 527 2HB GLN 76 2HB GLN 76 16.457 26.877 -34.903 528 1HG GLN 76 1HG GLN 76 15.766 28.342 -33.186 529 2HG GLN 76 2HG GLN 76 16.835 29.624 -33.754 530 2HE2 GLN 76 1HE2 GLN 76 14.033 29.832 -33.290 531 1HE2 GLN 76 2HE2 GLN 76 13.286 30.219 -34.799 532 H ASP 77 H ASP 77 19.080 27.877 -31.688 533 HA ASP 77 HA ASP 77 19.686 30.702 -32.148 534 1HB ASP 77 1HB ASP 77 18.362 29.423 -30.083 535 2HB ASP 77 2HB ASP 77 19.957 29.742 -29.406 536 H GLY 78 H GLY 78 21.106 28.205 -30.052 537 1HA GLY 78 1HA GLY 78 23.492 27.655 -31.003 538 2HA GLY 78 2HA GLY 78 23.745 29.343 -30.594 539 H HIS 79 H HIS 79 21.898 26.892 -28.821 540 HA HIS 79 HA HIS 79 23.726 27.320 -26.551 541 1HB HIS 79 1HB HIS 79 21.284 26.060 -25.737 542 2HB HIS 79 2HB HIS 79 21.941 27.616 -25.246 543 HD1 HIS 79 HD1 HIS 79 19.996 26.225 -28.214 544 HD2 HIS 79 HD2 HIS 79 20.307 29.664 -25.903 545 HE1 HIS 79 HE1 HIS 79 18.215 27.779 -29.076 546 HE2 HIS 79 HE2 HIS 79 18.481 29.885 -27.721 547 H LEU 80 H LEU 80 24.829 25.646 -25.764 548 HA LEU 80 HA LEU 80 24.808 23.149 -27.124 549 1HB LEU 80 1HB LEU 80 26.240 24.264 -24.753 550 2HB LEU 80 2HB LEU 80 26.276 22.534 -25.021 551 HG LEU 80 HG LEU 80 27.623 22.694 -26.859 552 1HD1 LEU 80 1HD1 LEU 80 26.267 25.318 -27.334 553 2HD1 LEU 80 2HD1 LEU 80 27.782 24.929 -28.150 554 3HD1 LEU 80 3HD1 LEU 80 26.367 23.903 -28.382 555 1HD2 LEU 80 1HD2 LEU 80 28.807 23.670 -24.942 556 2HD2 LEU 80 2HD2 LEU 80 29.356 24.346 -26.475 557 3HD2 LEU 80 3HD2 LEU 80 28.271 25.274 -25.440 558 H TRP 81 H TRP 81 24.134 21.127 -26.419 559 HA TRP 81 HA TRP 81 22.670 20.923 -23.914 560 1HB TRP 81 1HB TRP 81 20.663 19.994 -25.022 561 2HB TRP 81 2HB TRP 81 20.945 21.679 -25.453 562 HD1 TRP 81 HD1 TRP 81 21.880 22.151 -27.961 563 HE1 TRP 81 HE1 TRP 81 21.606 20.796 -30.130 564 HE3 TRP 81 HE3 TRP 81 20.465 17.671 -25.947 565 HZ2 TRP 81 HZ2 TRP 81 20.885 18.175 -30.890 566 HZ3 TRP 81 HZ3 TRP 81 20.002 15.790 -27.465 567 HH2 TRP 81 HH2 TRP 81 20.207 16.038 -29.885 568 H CYS 82 H CYS 82 21.852 18.656 -23.598 569 HA CYS 82 HA CYS 82 23.208 16.570 -25.064 570 1HB CYS 82 1HB CYS 82 24.434 15.667 -23.184 571 2HB CYS 82 2HB CYS 82 24.919 17.342 -23.425 572 H SER 83 H SER 83 22.407 14.450 -24.521 573 HA SER 83 HA SER 83 19.678 14.563 -23.570 574 1HB SER 83 1HB SER 83 20.281 13.254 -25.595 575 2HB SER 83 2HB SER 83 21.236 12.172 -24.583 576 HG SER 83 HG SER 83 19.460 11.287 -23.828 577 H THR 84 H THR 84 18.886 13.733 -21.717 578 HA THR 84 HA THR 84 20.736 13.193 -19.599 579 HB THR 84 HB THR 84 18.604 12.748 -18.272 580 HG1 THR 84 HG1 THR 84 17.577 12.721 -20.714 581 1HG2 THR 84 1HG2 THR 84 19.875 14.980 -18.581 582 2HG2 THR 84 2HG2 THR 84 18.521 15.428 -19.620 583 3HG2 THR 84 3HG2 THR 84 18.240 15.026 -17.925 584 H THR 85 H THR 85 19.111 11.306 -21.923 585 HA THR 85 HA THR 85 20.252 8.898 -20.834 586 HB THR 85 HB THR 85 17.798 9.339 -19.880 587 HG1 THR 85 HG1 THR 85 18.883 6.850 -20.738 588 1HG2 THR 85 1HG2 THR 85 17.190 8.996 -22.567 589 2HG2 THR 85 2HG2 THR 85 16.854 7.424 -21.844 590 3HG2 THR 85 3HG2 THR 85 16.067 8.869 -21.215 591 H SER 86 H SER 86 19.991 7.043 -22.337 592 HA SER 86 HA SER 86 20.643 7.804 -24.965 593 1HB SER 86 1HB SER 86 20.762 5.453 -23.464 594 2HB SER 86 2HB SER 86 19.675 5.068 -24.799 595 HG SER 86 HG SER 86 21.468 6.201 -26.073 596 H ASN 87 H ASN 87 17.631 7.118 -23.447 597 HA ASN 87 HA ASN 87 16.176 6.644 -25.878 598 1HB ASN 87 1HB ASN 87 15.444 5.582 -23.828 599 2HB ASN 87 2HB ASN 87 15.248 7.144 -23.044 600 2HD2 ASN 87 1HD2 ASN 87 13.180 5.461 -23.001 601 1HD2 ASN 87 2HD2 ASN 87 11.927 5.987 -24.068 602 H TYR 88 H TYR 88 17.367 8.916 -26.482 603 HA TYR 88 HA TYR 88 15.735 11.179 -25.698 604 1HB TYR 88 1HB TYR 88 18.091 11.609 -26.013 605 2HB TYR 88 2HB TYR 88 18.039 10.943 -27.643 606 HD1 TYR 88 HD1 TYR 88 16.290 12.125 -29.245 607 HD2 TYR 88 HD2 TYR 88 17.983 13.909 -25.774 608 HE1 TYR 88 HE1 TYR 88 15.752 14.347 -30.133 609 HE2 TYR 88 HE2 TYR 88 17.455 16.139 -26.660 610 HH TYR 88 HH TYR 88 15.977 16.546 -29.859 611 H GLU 89 H GLU 89 16.038 8.960 -28.359 612 HA GLU 89 HA GLU 89 14.492 10.494 -30.215 613 1HB GLU 89 1HB GLU 89 15.156 7.544 -30.221 614 2HB GLU 89 2HB GLU 89 14.501 8.451 -31.578 615 1HG GLU 89 1HG GLU 89 16.483 9.500 -32.016 616 2HG GLU 89 2HG GLU 89 17.044 9.376 -30.349 617 H GLN 90 H GLN 90 13.728 8.572 -27.525 618 HA GLN 90 HA GLN 90 10.942 8.312 -28.456 619 1HB GLN 90 1HB GLN 90 11.581 6.663 -26.161 620 2HB GLN 90 2HB GLN 90 10.883 6.203 -27.709 621 1HG GLN 90 1HG GLN 90 12.964 5.786 -28.662 622 2HG GLN 90 2HG GLN 90 13.817 6.720 -27.429 623 2HE2 GLN 90 1HE2 GLN 90 11.528 4.000 -27.487 624 1HE2 GLN 90 2HE2 GLN 90 12.432 2.994 -26.412 625 H ASP 91 H ASP 91 13.084 9.310 -25.888 626 HA ASP 91 HA ASP 91 10.848 10.134 -24.206 627 1HB ASP 91 1HB ASP 91 13.114 9.040 -23.430 628 2HB ASP 91 2HB ASP 91 13.709 10.694 -23.523 629 H GLN 92 H GLN 92 13.640 11.561 -25.884 630 HA GLN 92 HA GLN 92 13.958 13.640 -26.759 631 1HB GLN 92 1HB GLN 92 11.226 13.247 -26.978 632 2HB GLN 92 2HB GLN 92 11.345 14.787 -26.138 633 1HG GLN 92 1HG GLN 92 11.941 15.848 -27.989 634 2HG GLN 92 2HG GLN 92 13.188 14.657 -28.356 635 2HE2 GLN 92 1HE2 GLN 92 12.679 12.895 -29.666 636 1HE2 GLN 92 2HE2 GLN 92 11.272 12.875 -30.668 637 H LYS 93 H LYS 93 14.592 13.096 -24.072 638 HA LYS 93 HA LYS 93 14.084 15.701 -22.795 639 1HB LYS 93 1HB LYS 93 15.013 14.128 -20.768 640 2HB LYS 93 2HB LYS 93 13.316 14.425 -21.112 641 1HG LYS 93 2HG LYS 93 13.592 12.353 -22.689 642 2HG LYS 93 1HG LYS 93 13.323 12.154 -20.958 643 1HD LYS 93 2HD LYS 93 16.118 12.342 -21.976 644 2HD LYS 93 1HD LYS 93 15.231 10.828 -22.170 645 1HE LYS 93 1HE LYS 93 16.608 10.959 -20.090 646 2HE LYS 93 2HE LYS 93 15.563 12.270 -19.545 647 1HZ LYS 93 1HZ LYS 93 13.843 10.270 -20.261 648 2HZ LYS 93 2HZ LYS 93 15.107 9.457 -19.487 649 3HZ LYS 93 3HZ LYS 93 14.282 10.695 -18.684 650 H TYR 94 H TYR 94 15.767 17.024 -22.739 651 HA TYR 94 HA TYR 94 18.461 15.897 -22.460 652 1HB TYR 94 2HB TYR 94 17.943 16.374 -24.878 653 2HB TYR 94 1HB TYR 94 19.347 17.223 -24.241 654 HD1 TYR 94 HD1 TYR 94 18.824 19.636 -23.277 655 HD2 TYR 94 HD2 TYR 94 16.404 17.581 -26.110 656 HE1 TYR 94 HE1 TYR 94 17.866 21.783 -24.009 657 HE2 TYR 94 HE2 TYR 94 15.441 19.719 -26.848 658 HH TYR 94 HH TYR 94 15.284 21.912 -26.427 659 H SER 95 H SER 95 20.089 17.720 -22.135 660 HA SER 95 HA SER 95 18.941 19.861 -20.479 661 1HB SER 95 1HB SER 95 21.409 19.424 -19.353 662 2HB SER 95 2HB SER 95 19.889 18.796 -18.719 663 HG SER 95 HG SER 95 20.309 16.850 -19.591 664 H PHE 96 H PHE 96 20.127 21.831 -20.461 665 HA PHE 96 HA PHE 96 21.490 22.333 -22.938 666 1HB PHE 96 1HB PHE 96 20.605 24.033 -20.636 667 2HB PHE 96 2HB PHE 96 21.732 24.683 -21.823 668 HD1 PHE 96 HD1 PHE 96 20.803 23.579 -24.322 669 HD2 PHE 96 HD2 PHE 96 18.560 25.037 -21.012 670 HE1 PHE 96 HE1 PHE 96 18.926 24.094 -25.827 671 HE2 PHE 96 HE2 PHE 96 16.678 25.552 -22.511 672 HZ PHE 96 HZ PHE 96 16.859 25.075 -24.920 673 H CYS 97 H CYS 97 23.460 23.950 -22.692 674 HA CYS 97 HA CYS 97 25.342 22.964 -20.682 675 1HB CYS 97 1HB CYS 97 25.362 22.187 -23.442 676 2HB CYS 97 2HB CYS 97 26.790 23.161 -23.113 677 H THR 98 H THR 98 26.352 24.630 -19.776 678 HA THR 98 HA THR 98 25.994 27.268 -20.330 679 HB THR 98 HB THR 98 28.429 27.488 -19.319 680 HG1 THR 98 HG1 THR 98 29.228 25.661 -18.505 681 1HG2 THR 98 1HG2 THR 98 26.132 27.872 -18.247 682 2HG2 THR 98 2HG2 THR 98 26.313 26.247 -17.584 683 3HG2 THR 98 3HG2 THR 98 27.479 27.504 -17.171 684 H ASP 99 H ASP 99 26.901 28.814 -21.618 685 HA ASP 99 HA ASP 99 27.695 28.422 -24.127 686 1HB ASP 99 1HB ASP 99 27.809 30.593 -22.348 687 2HB ASP 99 2HB ASP 99 29.410 30.492 -23.075 688 H HIS 100 H HIS 100 30.047 28.672 -21.460 689 HA HIS 100 HA HIS 100 32.032 27.363 -23.191 690 1HB HIS 100 2HB HIS 100 33.726 28.270 -21.651 691 2HB HIS 100 1HB HIS 100 32.452 28.977 -20.664 692 HD1 HIS 100 HD1 HIS 100 33.696 29.215 -24.253 693 HD2 HIS 100 HD2 HIS 100 31.880 31.535 -21.323 694 HE1 HIS 100 HE1 HIS 100 33.525 31.523 -25.235 695 HE2 HIS 100 HE2 HIS 100 32.331 32.884 -23.483 696 H THR 101 H THR 101 33.658 26.004 -21.894 697 HA THR 101 HA THR 101 32.258 23.844 -20.726 698 HB THR 101 HB THR 101 34.676 23.141 -20.037 699 HG1 THR 101 HG1 THR 101 36.273 24.354 -20.818 700 1HG2 THR 101 1HG2 THR 101 33.243 22.369 -22.024 701 2HG2 THR 101 2HG2 THR 101 34.219 23.477 -22.988 702 3HG2 THR 101 3HG2 THR 101 34.988 22.139 -22.134 No H/Q in entry = 702 Start of MODEL 10 1 H1 TYR 1 H1 TYR 1 46.506 0.674 -43.837 2 H2 TYR 1 H2 TYR 1 47.354 1.185 -45.208 3 H3 TYR 1 H3 TYR 1 48.119 0.213 -44.053 4 HA TYR 1 HA TYR 1 48.372 1.891 -42.551 5 1HB TYR 1 1HB TYR 1 48.472 3.037 -45.340 6 2HB TYR 1 2HB TYR 1 49.014 3.951 -43.937 7 HD1 TYR 1 HD1 TYR 1 50.452 2.058 -42.325 8 HD2 TYR 1 HD2 TYR 1 50.316 2.382 -46.566 9 HE1 TYR 1 HE1 TYR 1 52.656 0.979 -42.472 10 HE2 TYR 1 HE2 TYR 1 52.520 1.302 -46.725 11 HH TYR 1 HH TYR 1 54.011 -0.028 -45.510 12 H GLY 2 H GLY 2 47.542 3.577 -41.357 13 1HA GLY 2 1HA GLY 2 46.110 5.528 -41.176 14 2HA GLY 2 2HA GLY 2 45.024 4.769 -42.329 15 H HIS 3 H HIS 3 45.248 2.145 -41.016 16 HA HIS 3 HA HIS 3 43.117 2.478 -39.140 17 1HB HIS 3 1HB HIS 3 44.240 0.349 -40.654 18 2HB HIS 3 2HB HIS 3 44.268 -0.134 -38.962 19 HD1 HIS 3 HD1 HIS 3 42.129 -0.131 -41.835 20 HD2 HIS 3 HD2 HIS 3 41.558 0.220 -37.735 21 HE1 HIS 3 HE1 HIS 3 39.704 -0.670 -41.447 22 HE2 HIS 3 HE2 HIS 3 39.402 -0.536 -38.949 23 H CYS 4 H CYS 4 43.342 3.015 -37.067 24 HA CYS 4 HA CYS 4 45.912 2.538 -35.751 25 1HB CYS 4 1HB CYS 4 43.612 4.392 -35.149 26 2HB CYS 4 2HB CYS 4 44.899 4.090 -34.000 27 H VAL 5 H VAL 5 45.490 2.282 -33.212 28 HA VAL 5 HA VAL 5 43.252 0.794 -32.367 29 HB VAL 5 HB VAL 5 44.196 -0.918 -33.872 30 1HG1 VAL 5 1HG1 VAL 5 46.624 -0.451 -32.201 31 2HG1 VAL 5 2HG1 VAL 5 46.334 -2.047 -32.894 32 3HG1 VAL 5 3HG1 VAL 5 46.480 -0.640 -33.948 33 1HG2 VAL 5 1HG2 VAL 5 43.363 -1.217 -31.227 34 2HG2 VAL 5 2HG2 VAL 5 43.379 -2.452 -32.486 35 3HG2 VAL 5 3HG2 VAL 5 44.757 -2.285 -31.397 36 H THR 6 H THR 6 43.218 0.614 -30.180 37 HA THR 6 HA THR 6 45.132 2.031 -28.663 38 HB THR 6 HB THR 6 43.867 1.458 -26.728 39 HG1 THR 6 HG1 THR 6 42.367 -0.465 -28.159 40 1HG2 THR 6 1HG2 THR 6 42.709 2.591 -28.960 41 2HG2 THR 6 2HG2 THR 6 41.534 1.368 -28.475 42 3HG2 THR 6 3HG2 THR 6 42.040 2.610 -27.328 43 H ASP 7 H ASP 7 44.300 -1.442 -28.572 44 HA ASP 7 HA ASP 7 46.687 -2.631 -28.799 45 1HB ASP 7 1HB ASP 7 46.665 -1.054 -26.352 46 2HB ASP 7 2HB ASP 7 47.016 -2.750 -26.040 47 H SER 8 H SER 8 43.678 -2.452 -27.145 48 HA SER 8 HA SER 8 43.720 -5.163 -26.173 49 1HB SER 8 1HB SER 8 42.019 -2.834 -25.876 50 2HB SER 8 2HB SER 8 41.062 -4.279 -26.201 51 HG SER 8 HG SER 8 43.097 -4.601 -24.363 52 H GLY 9 H GLY 9 42.856 -3.538 -29.082 53 1HA GLY 9 1HA GLY 9 42.772 -5.401 -30.894 54 2HA GLY 9 2HA GLY 9 41.317 -5.852 -30.021 55 H VAL 10 H VAL 10 40.836 -2.908 -29.475 56 HA VAL 10 HA VAL 10 39.022 -2.433 -31.554 57 HB VAL 10 HB VAL 10 40.244 -0.339 -29.754 58 1HG1 VAL 10 1HG1 VAL 10 37.674 -0.451 -31.322 59 2HG1 VAL 10 2HG1 VAL 10 38.020 0.756 -30.084 60 3HG1 VAL 10 3HG1 VAL 10 39.018 0.671 -31.536 61 1HG2 VAL 10 1HG2 VAL 10 39.190 -2.469 -28.692 62 2HG2 VAL 10 2HG2 VAL 10 38.745 -0.877 -28.079 63 3HG2 VAL 10 3HG2 VAL 10 37.663 -1.733 -29.178 64 H VAL 11 H VAL 11 40.110 -2.657 -33.532 65 HA VAL 11 HA VAL 11 42.360 -1.001 -34.195 66 HB VAL 11 HB VAL 11 40.693 -2.312 -36.298 67 1HG1 VAL 11 1HG1 VAL 11 43.431 -1.350 -35.949 68 2HG1 VAL 11 2HG1 VAL 11 43.322 -2.933 -36.718 69 3HG1 VAL 11 3HG1 VAL 11 42.478 -1.553 -37.419 70 1HG2 VAL 11 1HG2 VAL 11 42.043 -3.681 -34.057 71 2HG2 VAL 11 2HG2 VAL 11 40.687 -4.203 -35.056 72 3HG2 VAL 11 3HG2 VAL 11 42.336 -4.340 -35.666 73 H TYR 12 H TYR 12 41.623 1.111 -33.820 74 HA TYR 12 HA TYR 12 39.312 2.168 -35.121 75 1HB TYR 12 1HB TYR 12 41.636 3.410 -33.663 76 2HB TYR 12 2HB TYR 12 40.419 4.399 -34.462 77 HD1 TYR 12 HD1 TYR 12 38.009 4.175 -33.729 78 HD2 TYR 12 HD2 TYR 12 41.237 2.484 -31.535 79 HE1 TYR 12 HE1 TYR 12 36.565 4.009 -31.745 80 HE2 TYR 12 HE2 TYR 12 39.803 2.310 -29.545 81 HH TYR 12 HH TYR 12 36.391 2.861 -29.685 82 H SER 13 H SER 13 39.671 4.266 -36.497 83 HA SER 13 HA SER 13 41.819 3.807 -38.445 84 1HB SER 13 1HB SER 13 38.897 4.243 -39.080 85 2HB SER 13 2HB SER 13 40.190 4.323 -40.275 86 HG SER 13 HG SER 13 39.119 2.250 -40.110 87 H VAL 14 H VAL 14 42.651 5.616 -39.427 88 HA VAL 14 HA VAL 14 42.649 7.994 -38.004 89 HB VAL 14 HB VAL 14 44.468 7.540 -39.483 90 1HG1 VAL 14 1HG1 VAL 14 42.790 6.377 -41.148 91 2HG1 VAL 14 2HG1 VAL 14 42.848 7.950 -41.944 92 3HG1 VAL 14 3HG1 VAL 14 44.332 7.025 -41.708 93 1HG2 VAL 14 1HG2 VAL 14 43.921 9.908 -39.137 94 2HG2 VAL 14 2HG2 VAL 14 44.649 9.629 -40.719 95 3HG2 VAL 14 3HG2 VAL 14 42.908 9.878 -40.581 96 H GLY 15 H GLY 15 40.480 8.584 -37.608 97 1HA GLY 15 1HA GLY 15 39.274 10.625 -38.544 98 2HA GLY 15 2HA GLY 15 39.025 9.615 -39.957 99 H MET 16 H MET 16 38.907 7.656 -37.280 100 HA MET 16 HA MET 16 36.056 7.365 -37.510 101 1HB MET 16 1HB MET 16 38.272 5.844 -36.395 102 2HB MET 16 2HB MET 16 36.872 5.843 -35.331 103 1HG MET 16 1HG MET 16 35.991 5.385 -37.997 104 2HG MET 16 2HG MET 16 37.324 4.289 -37.639 105 1HE MET 16 1HE MET 16 37.366 2.480 -36.434 106 2HE MET 16 2HE MET 16 36.933 2.798 -34.755 107 3HE MET 16 3HE MET 16 36.018 1.618 -35.693 108 H GLN 17 H GLN 17 38.317 8.614 -35.112 109 HA GLN 17 HA GLN 17 38.025 9.784 -33.181 110 1HB GLN 17 1HB GLN 17 36.201 10.861 -35.142 111 2HB GLN 17 2HB GLN 17 35.532 11.033 -33.525 112 1HG GLN 17 1HG GLN 17 38.073 11.854 -33.110 113 2HG GLN 17 2HG GLN 17 37.824 12.368 -34.776 114 2HE2 GLN 17 1HE2 GLN 17 38.204 14.428 -33.411 115 1HE2 GLN 17 2HE2 GLN 17 36.770 15.236 -32.888 116 H TRP 18 H TRP 18 37.648 8.701 -31.375 117 HA TRP 18 HA TRP 18 34.904 7.819 -30.813 118 1HB TRP 18 1HB TRP 18 35.752 5.728 -29.847 119 2HB TRP 18 2HB TRP 18 36.185 5.857 -31.549 120 HD1 TRP 18 HD1 TRP 18 37.695 5.550 -28.109 121 HE1 TRP 18 HE1 TRP 18 40.249 5.389 -28.309 122 HE3 TRP 18 HE3 TRP 18 38.203 6.718 -33.066 123 HZ2 TRP 18 HZ2 TRP 18 42.227 5.717 -30.300 124 HZ3 TRP 18 HZ3 TRP 18 40.461 6.772 -34.038 125 HH2 TRP 18 HH2 TRP 18 42.431 6.282 -32.686 126 H LEU 19 H LEU 19 35.359 6.711 -28.320 127 HA LEU 19 HA LEU 19 36.539 8.907 -26.763 128 1HB LEU 19 1HB LEU 19 33.916 8.770 -26.983 129 2HB LEU 19 2HB LEU 19 34.090 7.518 -25.771 130 HG LEU 19 HG LEU 19 35.517 9.409 -24.557 131 1HD1 LEU 19 1HD1 LEU 19 34.937 10.887 -26.645 132 2HD1 LEU 19 2HD1 LEU 19 33.423 11.138 -25.778 133 3HD1 LEU 19 3HD1 LEU 19 34.955 11.579 -25.023 134 1HD2 LEU 19 1HD2 LEU 19 33.320 8.173 -23.936 135 2HD2 LEU 19 2HD2 LEU 19 33.723 9.689 -23.129 136 3HD2 LEU 19 3HD2 LEU 19 32.543 9.673 -24.439 137 H LYS 20 H LYS 20 38.226 8.034 -25.766 138 HA LYS 20 HA LYS 20 38.288 5.246 -25.048 139 1HB LYS 20 1HB LYS 20 40.268 6.577 -25.881 140 2HB LYS 20 2HB LYS 20 40.296 7.374 -24.314 141 1HG LYS 20 1HG LYS 20 41.897 5.659 -24.206 142 2HG LYS 20 2HG LYS 20 40.505 5.084 -23.287 143 1HD LYS 20 1HD LYS 20 40.229 4.330 -26.039 144 2HD LYS 20 2HD LYS 20 41.805 3.811 -25.435 145 1HE LYS 20 1HE LYS 20 40.161 3.129 -23.370 146 2HE LYS 20 2HE LYS 20 39.115 2.859 -24.763 147 1HZ LYS 20 1HZ LYS 20 41.539 1.771 -25.455 148 2HZ LYS 20 2HZ LYS 20 41.316 1.313 -23.842 149 3HZ LYS 20 3HZ LYS 20 40.145 0.927 -25.002 150 H THR 21 H THR 21 38.349 4.368 -22.990 151 HA THR 21 HA THR 21 38.094 6.067 -20.662 152 HB THR 21 HB THR 21 35.957 4.179 -20.435 153 HG1 THR 21 HG1 THR 21 35.667 5.978 -22.627 154 1HG2 THR 21 1HG2 THR 21 36.035 7.194 -20.554 155 2HG2 THR 21 2HG2 THR 21 34.634 6.244 -20.053 156 3HG2 THR 21 3HG2 THR 21 36.121 6.190 -19.107 157 H GLN 22 H GLN 22 38.935 5.113 -18.895 158 HA GLN 22 HA GLN 22 39.779 2.319 -19.160 159 1HB GLN 22 2HB GLN 22 41.465 2.772 -17.558 160 2HB GLN 22 1HB GLN 22 40.674 4.250 -17.028 161 1HG GLN 22 1HG GLN 22 41.349 4.296 -19.853 162 2HG GLN 22 2HG GLN 22 41.686 5.474 -18.584 163 2HE2 GLN 22 1HE2 GLN 22 43.551 5.090 -20.473 164 1HE2 GLN 22 2HE2 GLN 22 44.907 4.231 -19.833 165 H GLY 23 H GLY 23 37.836 4.459 -17.197 166 1HA GLY 23 1HA GLY 23 35.909 3.075 -16.216 167 2HA GLY 23 2HA GLY 23 37.203 2.222 -15.387 168 H ASN 24 H ASN 24 38.486 5.107 -15.412 169 HA ASN 24 HA ASN 24 37.094 5.992 -12.969 170 1HB ASN 24 1HB ASN 24 39.921 5.506 -13.533 171 2HB ASN 24 2HB ASN 24 39.626 7.102 -12.847 172 2HD2 ASN 24 1HD2 ASN 24 38.253 7.140 -10.882 173 1HD2 ASN 24 2HD2 ASN 24 38.462 5.868 -9.733 174 H LYS 25 H LYS 25 38.540 6.927 -16.005 175 HA LYS 25 HA LYS 25 37.228 9.533 -15.779 176 1HB LYS 25 2HB LYS 25 39.652 9.762 -15.146 177 2HB LYS 25 1HB LYS 25 39.142 10.757 -16.504 178 1HG LYS 25 1HG LYS 25 40.065 8.275 -17.527 179 2HG LYS 25 2HG LYS 25 40.742 9.889 -17.756 180 1HD LYS 25 1HD LYS 25 41.309 8.136 -15.369 181 2HD LYS 25 2HD LYS 25 42.343 8.234 -16.795 182 1HE LYS 25 1HE LYS 25 43.034 10.374 -16.314 183 2HE LYS 25 2HE LYS 25 41.577 10.750 -15.395 184 1HZ LYS 25 1HZ LYS 25 43.534 8.767 -14.414 185 2HZ LYS 25 2HZ LYS 25 43.742 10.420 -14.120 186 3HZ LYS 25 3HZ LYS 25 42.367 9.624 -13.538 187 H GLN 26 H GLN 26 37.808 10.687 -18.098 188 HA GLN 26 HA GLN 26 37.391 8.709 -20.220 189 1HB GLN 26 2HB GLN 26 35.491 9.847 -21.117 190 2HB GLN 26 1HB GLN 26 35.681 11.185 -19.993 191 1HG GLN 26 2HG GLN 26 35.016 8.376 -19.154 192 2HG GLN 26 1HG GLN 26 33.813 9.626 -19.468 193 2HE2 GLN 26 1HE2 GLN 26 33.961 8.385 -17.029 194 1HE2 GLN 26 2HE2 GLN 26 34.513 9.510 -15.840 195 H MET 27 H MET 27 37.645 9.651 -22.399 196 HA MET 27 HA MET 27 38.730 12.225 -22.807 197 1HB MET 27 1HB MET 27 40.606 10.084 -22.071 198 2HB MET 27 2HB MET 27 41.030 10.935 -23.550 199 1HG MET 27 1HG MET 27 40.560 13.053 -22.066 200 2HG MET 27 2HG MET 27 40.902 11.928 -20.754 201 1HE MET 27 1HE MET 27 42.717 10.167 -21.152 202 2HE MET 27 2HE MET 27 44.321 10.520 -21.795 203 3HE MET 27 3HE MET 27 43.822 11.202 -20.248 204 H LEU 28 H LEU 28 38.356 12.704 -24.881 205 HA LEU 28 HA LEU 28 37.472 10.679 -26.699 206 1HB LEU 28 1HB LEU 28 36.623 13.039 -26.648 207 2HB LEU 28 2HB LEU 28 38.165 13.554 -27.307 208 HG LEU 28 HG LEU 28 37.449 11.674 -29.130 209 1HD1 LEU 28 1HD1 LEU 28 35.032 12.453 -27.702 210 2HD1 LEU 28 2HD1 LEU 28 34.935 12.724 -29.441 211 3HD1 LEU 28 3HD1 LEU 28 35.311 11.116 -28.819 212 1HD2 LEU 28 1HD2 LEU 28 36.911 14.626 -29.014 213 2HD2 LEU 28 2HD2 LEU 28 38.227 13.778 -29.823 214 3HD2 LEU 28 3HD2 LEU 28 36.586 13.668 -30.459 215 H CYS 29 H CYS 29 38.740 9.412 -27.899 216 HA CYS 29 HA CYS 29 41.478 10.336 -28.442 217 1HB CYS 29 1HB CYS 29 40.827 8.101 -27.145 218 2HB CYS 29 2HB CYS 29 40.776 7.479 -28.790 219 H THR 30 H THR 30 42.293 10.422 -30.419 220 HA THR 30 HA THR 30 40.561 9.565 -32.654 221 HB THR 30 HB THR 30 42.126 12.144 -32.480 222 HG1 THR 30 HG1 THR 30 40.161 13.091 -32.337 223 1HG2 THR 30 1HG2 THR 30 40.655 10.852 -34.773 224 2HG2 THR 30 2HG2 THR 30 41.019 12.578 -34.722 225 3HG2 THR 30 3HG2 THR 30 42.331 11.399 -34.723 226 H CYS 31 H CYS 31 41.653 9.241 -34.690 227 HA CYS 31 HA CYS 31 44.443 8.357 -34.345 228 1HB CYS 31 1HB CYS 31 43.112 6.445 -34.826 229 2HB CYS 31 2HB CYS 31 42.203 7.291 -36.066 230 H LEU 32 H LEU 32 45.785 9.796 -35.197 231 HA LEU 32 HA LEU 32 44.940 11.533 -37.350 232 1HB LEU 32 1HB LEU 32 47.535 12.164 -37.026 233 2HB LEU 32 2HB LEU 32 46.236 12.844 -36.064 234 HG LEU 32 HG LEU 32 47.531 10.341 -35.097 235 1HD1 LEU 32 1HD1 LEU 32 49.036 12.647 -35.729 236 2HD1 LEU 32 2HD1 LEU 32 48.885 12.570 -33.973 237 3HD1 LEU 32 3HD1 LEU 32 49.553 11.200 -34.862 238 1HD2 LEU 32 1HD2 LEU 32 45.536 11.654 -34.070 239 2HD2 LEU 32 2HD2 LEU 32 46.817 11.052 -33.017 240 3HD2 LEU 32 3HD2 LEU 32 46.791 12.750 -33.490 241 H GLY 33 H GLY 33 47.758 9.417 -36.870 242 1HA GLY 33 1HA GLY 33 47.540 7.999 -39.252 243 2HA GLY 33 2HA GLY 33 48.508 9.421 -39.602 244 H ASN 34 H ASN 34 50.028 9.741 -37.419 245 HA ASN 34 HA ASN 34 51.882 7.547 -37.647 246 1HB ASN 34 1HB ASN 34 53.278 8.961 -36.089 247 2HB ASN 34 2HB ASN 34 52.837 9.743 -37.605 248 2HD2 ASN 34 1HD2 ASN 34 52.975 10.087 -34.316 249 1HD2 ASN 34 2HD2 ASN 34 51.909 11.433 -34.133 250 H GLY 35 H GLY 35 49.318 8.413 -35.598 251 1HA GLY 35 1HA GLY 35 49.501 6.069 -34.051 252 2HA GLY 35 2HA GLY 35 50.148 7.412 -33.119 253 H VAL 36 H VAL 36 48.417 7.092 -31.618 254 HA VAL 36 HA VAL 36 45.923 8.345 -32.537 255 HB VAL 36 HB VAL 36 46.255 5.776 -31.054 256 1HG1 VAL 36 1HG1 VAL 36 45.033 7.258 -29.484 257 2HG1 VAL 36 2HG1 VAL 36 43.812 7.513 -30.730 258 3HG1 VAL 36 3HG1 VAL 36 44.067 5.902 -30.062 259 1HG2 VAL 36 1HG2 VAL 36 44.379 6.813 -33.162 260 2HG2 VAL 36 2HG2 VAL 36 45.679 5.637 -33.349 261 3HG2 VAL 36 3HG2 VAL 36 44.241 5.218 -32.419 262 H SER 37 H SER 37 45.352 10.057 -31.380 263 HA SER 37 HA SER 37 46.461 10.350 -28.667 264 1HB SER 37 1HB SER 37 47.423 11.847 -30.565 265 2HB SER 37 2HB SER 37 45.896 12.718 -30.429 266 HG SER 37 HG SER 37 46.673 13.648 -28.726 267 H CYS 38 H CYS 38 45.152 11.263 -27.108 268 HA CYS 38 HA CYS 38 42.370 11.835 -27.880 269 1HB CYS 38 1HB CYS 38 42.511 10.707 -25.244 270 2HB CYS 38 2HB CYS 38 41.558 10.177 -26.606 271 H GLN 39 H GLN 39 41.313 13.398 -26.696 272 HA GLN 39 HA GLN 39 43.005 14.924 -24.828 273 1HB GLN 39 1HB GLN 39 41.065 15.852 -26.931 274 2HB GLN 39 2HB GLN 39 41.511 16.886 -25.582 275 1HG GLN 39 1HG GLN 39 43.737 17.026 -26.271 276 2HG GLN 39 2HG GLN 39 43.583 15.637 -27.346 277 2HE2 GLN 39 1HE2 GLN 39 42.155 18.848 -26.847 278 1HE2 GLN 39 2HE2 GLN 39 42.068 19.258 -28.523 279 H GLU 40 H GLU 40 41.831 16.156 -23.191 280 HA GLU 40 HA GLU 40 40.341 14.791 -21.462 281 1HB GLU 40 1HB GLU 40 40.753 17.584 -21.990 282 2HB GLU 40 2HB GLU 40 39.094 17.327 -21.467 283 1HG GLU 40 1HG GLU 40 39.725 16.551 -19.391 284 2HG GLU 40 2HG GLU 40 41.339 16.097 -19.936 285 H THR 41 H THR 41 38.496 13.694 -21.505 286 HA THR 41 HA THR 41 36.788 13.224 -23.491 287 HB THR 41 HB THR 41 36.684 12.423 -21.030 288 HG1 THR 41 HG1 THR 41 34.288 12.836 -22.519 289 1HG2 THR 41 1HG2 THR 41 36.106 14.755 -20.204 290 2HG2 THR 41 2HG2 THR 41 34.495 14.478 -20.867 291 3HG2 THR 41 3HG2 THR 41 35.114 13.434 -19.587 292 H ALA 42 H ALA 42 36.731 16.054 -21.450 293 HA ALA 42 HA ALA 42 35.880 18.148 -21.780 294 1HB ALA 42 1HB ALA 42 35.763 16.989 -24.450 295 2HB ALA 42 2HB ALA 42 34.523 18.210 -24.163 296 3HB ALA 42 3HB ALA 42 36.226 18.610 -23.936 297 H VAL 43 H VAL 43 34.289 18.471 -20.373 298 HA VAL 43 HA VAL 43 31.603 17.490 -21.071 299 HB VAL 43 HB VAL 43 31.097 16.989 -18.783 300 1HG1 VAL 43 1HG1 VAL 43 32.490 15.372 -20.232 301 2HG1 VAL 43 2HG1 VAL 43 33.814 15.779 -19.140 302 3HG1 VAL 43 3HG1 VAL 43 32.341 15.044 -18.505 303 1HG2 VAL 43 1HG2 VAL 43 33.076 18.830 -18.175 304 2HG2 VAL 43 2HG2 VAL 43 32.167 17.849 -17.026 305 3HG2 VAL 43 3HG2 VAL 43 33.733 17.293 -17.615 306 H THR 44 H THR 44 30.231 18.651 -18.951 307 HA THR 44 HA THR 44 30.908 21.435 -18.725 308 HB THR 44 HB THR 44 28.265 21.470 -19.824 309 HG1 THR 44 HG1 THR 44 29.124 19.572 -20.965 310 1HG2 THR 44 1HG2 THR 44 30.574 23.033 -19.803 311 2HG2 THR 44 2HG2 THR 44 30.310 22.639 -21.502 312 3HG2 THR 44 3HG2 THR 44 29.035 23.427 -20.571 313 H GLN 45 H GLN 45 28.720 22.604 -17.888 314 HA GLN 45 HA GLN 45 27.923 21.008 -15.571 315 1HB GLN 45 2HB GLN 45 27.489 23.013 -14.451 316 2HB GLN 45 1HB GLN 45 27.255 23.910 -15.945 317 1HG GLN 45 1HG GLN 45 29.854 22.935 -14.790 318 2HG GLN 45 2HG GLN 45 29.693 23.630 -16.402 319 2HE2 GLN 45 1HE2 GLN 45 30.864 24.389 -13.599 320 1HE2 GLN 45 2HE2 GLN 45 30.440 26.059 -13.466 321 H THR 46 H THR 46 26.038 20.002 -15.583 322 HA THR 46 HA THR 46 23.980 20.770 -17.495 323 HB THR 46 HB THR 46 22.801 18.711 -16.582 324 HG1 THR 46 HG1 THR 46 23.673 17.863 -14.858 325 1HG2 THR 46 1HG2 THR 46 25.106 18.929 -18.300 326 2HG2 THR 46 2HG2 THR 46 25.066 17.353 -17.509 327 3HG2 THR 46 3HG2 THR 46 23.684 17.898 -18.461 328 H TYR 47 H TYR 47 21.890 21.381 -16.943 329 HA TYR 47 HA TYR 47 21.197 21.719 -14.141 330 1HB TYR 47 1HB TYR 47 20.661 24.125 -14.443 331 2HB TYR 47 2HB TYR 47 22.382 23.788 -14.593 332 HD1 TYR 47 HD1 TYR 47 19.318 24.640 -16.456 333 HD2 TYR 47 HD2 TYR 47 23.542 24.171 -16.649 334 HE1 TYR 47 HE1 TYR 47 19.334 25.745 -18.652 335 HE2 TYR 47 HE2 TYR 47 23.570 25.275 -18.846 336 HH TYR 47 HH TYR 47 20.638 26.666 -20.242 337 H GLY 48 H GLY 48 19.082 21.402 -13.808 338 1HA GLY 48 1HA GLY 48 16.860 21.021 -14.229 339 2HA GLY 48 2HA GLY 48 17.003 22.225 -15.501 340 H GLY 49 H GLY 49 15.722 21.184 -16.983 341 1HA GLY 49 1HA GLY 49 15.842 19.923 -19.006 342 2HA GLY 49 2HA GLY 49 16.949 18.813 -18.211 343 H ASN 50 H ASN 50 15.810 16.954 -18.663 344 HA ASN 50 HA ASN 50 13.017 16.772 -17.870 345 1HB ASN 50 1HB ASN 50 14.232 15.689 -19.967 346 2HB ASN 50 2HB ASN 50 14.560 14.398 -18.815 347 2HD2 ASN 50 1HD2 ASN 50 12.116 16.118 -20.578 348 1HD2 ASN 50 2HD2 ASN 50 10.834 14.997 -20.293 349 H SER 51 H SER 51 16.069 16.229 -16.517 350 HA SER 51 HA SER 51 14.936 14.421 -14.492 351 1HB SER 51 1HB SER 51 16.981 13.686 -15.878 352 2HB SER 51 2HB SER 51 17.886 14.851 -14.914 353 HG SER 51 HG SER 51 18.041 13.000 -13.788 354 H ASN 52 H ASN 52 17.703 16.635 -14.489 355 HA ASN 52 HA ASN 52 16.682 18.652 -12.903 356 1HB ASN 52 1HB ASN 52 16.390 16.747 -11.252 357 2HB ASN 52 2HB ASN 52 18.146 16.642 -11.186 358 2HD2 ASN 52 1HD2 ASN 52 19.296 18.174 -10.091 359 1HD2 ASN 52 2HD2 ASN 52 18.561 19.386 -9.103 360 H GLY 53 H GLY 53 19.399 16.617 -13.717 361 1HA GLY 53 1HA GLY 53 21.148 18.105 -14.883 362 2HA GLY 53 2HA GLY 53 21.238 18.883 -13.310 363 H GLU 54 H GLU 54 21.442 15.644 -14.777 364 HA GLU 54 HA GLU 54 23.616 15.048 -12.880 365 1HB GLU 54 1HB GLU 54 22.729 13.031 -12.392 366 2HB GLU 54 2HB GLU 54 21.234 13.750 -12.967 367 1HG GLU 54 1HG GLU 54 21.766 12.818 -15.230 368 2HG GLU 54 2HG GLU 54 23.099 11.947 -14.479 369 HA PRO 55 HA PRO 55 26.619 14.008 -15.911 370 1HB PRO 55 2HB PRO 55 27.687 12.011 -15.423 371 2HB PRO 55 1HB PRO 55 26.169 11.115 -15.286 372 1HG PRO 55 1HG PRO 55 26.686 11.403 -13.033 373 2HG PRO 55 2HG PRO 55 27.465 12.969 -13.322 374 1HD PRO 55 1HD PRO 55 24.582 12.321 -13.005 375 2HD PRO 55 2HD PRO 55 25.459 13.808 -12.594 376 H CYS 56 H CYS 56 26.842 13.232 -18.049 377 HA CYS 56 HA CYS 56 24.297 12.591 -19.319 378 1HB CYS 56 1HB CYS 56 26.888 13.136 -20.750 379 2HB CYS 56 2HB CYS 56 25.244 13.343 -21.345 380 H VAL 57 H VAL 57 24.821 11.222 -21.501 381 HA VAL 57 HA VAL 57 26.367 8.847 -20.742 382 HB VAL 57 HB VAL 57 23.926 8.514 -20.196 383 1HG1 VAL 57 1HG1 VAL 57 23.616 9.534 -22.820 384 2HG1 VAL 57 2HG1 VAL 57 23.040 7.867 -22.819 385 3HG1 VAL 57 3HG1 VAL 57 22.367 9.033 -21.683 386 1HG2 VAL 57 1HG2 VAL 57 25.678 6.725 -20.862 387 2HG2 VAL 57 2HG2 VAL 57 23.973 6.279 -20.816 388 3HG2 VAL 57 3HG2 VAL 57 24.755 6.618 -22.360 389 H LEU 58 H LEU 58 27.578 10.388 -22.402 390 HA LEU 58 HA LEU 58 26.883 9.518 -25.123 391 1HB LEU 58 1HB LEU 58 28.841 11.437 -25.412 392 2HB LEU 58 2HB LEU 58 27.120 11.671 -25.633 393 HG LEU 58 HG LEU 58 28.057 13.422 -24.238 394 1HD1 LEU 58 1HD1 LEU 58 25.784 12.036 -23.734 395 2HD1 LEU 58 2HD1 LEU 58 26.592 11.956 -22.169 396 3HD1 LEU 58 3HD1 LEU 58 26.258 13.521 -22.910 397 1HD2 LEU 58 1HD2 LEU 58 29.331 11.154 -22.911 398 2HD2 LEU 58 2HD2 LEU 58 29.823 12.845 -22.995 399 3HD2 LEU 58 3HD2 LEU 58 28.630 12.332 -21.801 400 HA PRO 59 HA PRO 59 28.482 10.454 -26.968 401 1HB PRO 59 1HB PRO 59 29.213 8.915 -29.064 402 2HB PRO 59 2HB PRO 59 30.329 10.037 -28.276 403 1HG PRO 59 1HG PRO 59 30.057 7.076 -27.926 404 2HG PRO 59 2HG PRO 59 31.528 8.054 -28.071 405 1HD PRO 59 1HD PRO 59 30.571 7.171 -25.686 406 2HD PRO 59 2HD PRO 59 31.474 8.689 -25.860 407 H PHE 60 H PHE 60 26.366 10.345 -27.319 408 HA PHE 60 HA PHE 60 25.089 7.709 -27.563 409 1HB PHE 60 1HB PHE 60 22.965 9.039 -27.139 410 2HB PHE 60 2HB PHE 60 24.098 8.951 -25.794 411 HD1 PHE 60 HD1 PHE 60 23.370 11.125 -28.737 412 HD2 PHE 60 HD2 PHE 60 24.548 10.888 -24.655 413 HE1 PHE 60 HE1 PHE 60 23.402 13.581 -28.608 414 HE2 PHE 60 HE2 PHE 60 24.582 13.345 -24.518 415 HZ PHE 60 HZ PHE 60 24.008 14.694 -26.498 416 H THR 61 H THR 61 22.796 8.261 -28.862 417 HA THR 61 HA THR 61 23.606 9.498 -31.407 418 HB THR 61 HB THR 61 21.754 7.241 -31.695 419 HG1 THR 61 HG1 THR 61 24.477 6.661 -31.107 420 1HG2 THR 61 1HG2 THR 61 24.328 8.053 -33.049 421 2HG2 THR 61 2HG2 THR 61 23.295 6.722 -33.569 422 3HG2 THR 61 3HG2 THR 61 22.690 8.378 -33.617 423 H TYR 62 H TYR 62 22.209 10.955 -32.136 424 HA TYR 62 HA TYR 62 19.375 10.718 -31.460 425 1HB TYR 62 1HB TYR 62 20.117 12.186 -29.736 426 2HB TYR 62 2HB TYR 62 21.116 13.108 -30.854 427 HD1 TYR 62 HD1 TYR 62 17.562 12.244 -30.137 428 HD2 TYR 62 HD2 TYR 62 20.276 15.052 -31.825 429 HE1 TYR 62 HE1 TYR 62 15.707 13.821 -30.481 430 HE2 TYR 62 HE2 TYR 62 18.430 16.637 -32.173 431 HH TYR 62 HH TYR 62 15.976 16.580 -32.426 432 H ASN 63 H ASN 63 18.070 11.232 -33.108 433 HA ASN 63 HA ASN 63 17.353 11.904 -35.155 434 1HB ASN 63 1HB ASN 63 18.946 14.033 -34.194 435 2HB ASN 63 2HB ASN 63 19.361 13.817 -35.892 436 2HD2 ASN 63 1HD2 ASN 63 17.768 15.850 -34.300 437 1HD2 ASN 63 2HD2 ASN 63 16.298 16.015 -35.192 438 H GLY 64 H GLY 64 19.933 10.124 -34.665 439 1HA GLY 64 1HA GLY 64 20.580 8.533 -36.354 440 2HA GLY 64 2HA GLY 64 20.442 9.811 -37.549 441 H ARG 65 H ARG 65 21.892 11.534 -35.375 442 HA ARG 65 HA ARG 65 24.564 10.786 -36.312 443 1HB ARG 65 1HB ARG 65 25.236 13.055 -35.624 444 2HB ARG 65 2HB ARG 65 23.917 13.075 -36.785 445 1HG ARG 65 1HG ARG 65 23.055 13.083 -33.990 446 2HG ARG 65 2HG ARG 65 23.993 14.498 -34.477 447 1HD ARG 65 1HD ARG 65 21.951 13.682 -36.410 448 2HD ARG 65 2HD ARG 65 21.305 14.185 -34.848 449 HE ARG 65 HE ARG 65 23.009 16.172 -35.400 450 1HH1 ARG 65 1HH1 ARG 65 20.563 14.620 -37.329 451 2HH1 ARG 65 2HH1 ARG 65 20.210 16.037 -38.260 452 1HH2 ARG 65 1HH2 ARG 65 22.553 18.048 -36.618 453 2HH2 ARG 65 2HH2 ARG 65 21.343 17.988 -37.855 454 H THR 66 H THR 66 26.166 11.954 -34.427 455 HA THR 66 HA THR 66 25.444 10.697 -31.877 456 HB THR 66 HB THR 66 28.062 10.227 -33.315 457 HG1 THR 66 HG1 THR 66 26.885 8.655 -34.129 458 1HG2 THR 66 1HG2 THR 66 27.363 10.104 -30.524 459 2HG2 THR 66 2HG2 THR 66 27.805 8.505 -31.121 460 3HG2 THR 66 3HG2 THR 66 28.928 9.853 -31.296 461 H PHE 67 H PHE 67 26.370 11.611 -30.057 462 HA PHE 67 HA PHE 67 28.174 13.889 -30.446 463 1HB PHE 67 1HB PHE 67 25.921 14.143 -28.487 464 2HB PHE 67 2HB PHE 67 26.861 15.407 -29.272 465 HD1 PHE 67 HD1 PHE 67 24.531 12.641 -30.196 466 HD2 PHE 67 HD2 PHE 67 25.821 16.635 -30.895 467 HE1 PHE 67 HE1 PHE 67 22.740 12.924 -31.859 468 HE2 PHE 67 HE2 PHE 67 24.032 16.926 -32.559 469 HZ PHE 67 HZ PHE 67 22.490 15.067 -33.043 470 H TYR 68 H TYR 68 29.873 13.727 -29.142 471 HA TYR 68 HA TYR 68 29.865 11.806 -26.981 472 1HB TYR 68 1HB TYR 68 32.039 13.624 -28.041 473 2HB TYR 68 2HB TYR 68 32.272 12.405 -26.792 474 HD1 TYR 68 HD1 TYR 68 30.966 12.689 -30.287 475 HD2 TYR 68 HD2 TYR 68 33.051 10.338 -27.428 476 HE1 TYR 68 HE1 TYR 68 31.425 11.002 -32.018 477 HE2 TYR 68 HE2 TYR 68 33.524 8.647 -29.143 478 HH TYR 68 HH TYR 68 31.974 8.634 -32.182 479 H SER 69 H SER 69 28.538 14.658 -27.060 480 HA SER 69 HA SER 69 28.783 15.138 -24.266 481 1HB SER 69 1HB SER 69 29.538 17.667 -25.354 482 2HB SER 69 2HB SER 69 30.421 16.663 -24.204 483 HG SER 69 HG SER 69 31.616 17.081 -26.124 484 H CYS 70 H CYS 70 27.884 17.683 -24.028 485 HA CYS 70 HA CYS 70 25.167 17.465 -24.710 486 1HB CYS 70 1HB CYS 70 26.802 19.828 -23.775 487 2HB CYS 70 2HB CYS 70 25.050 19.845 -23.924 488 H THR 71 H THR 71 23.912 18.981 -26.027 489 HA THR 71 HA THR 71 25.231 20.508 -28.069 490 HB THR 71 HB THR 71 25.481 18.201 -28.960 491 HG1 THR 71 HG1 THR 71 24.230 18.771 -30.998 492 1HG2 THR 71 1HG2 THR 71 22.506 18.238 -28.633 493 2HG2 THR 71 2HG2 THR 71 23.236 17.288 -29.928 494 3HG2 THR 71 3HG2 THR 71 23.659 16.960 -28.248 495 H THR 72 H THR 72 23.405 20.949 -29.891 496 HA THR 72 HA THR 72 20.820 21.358 -28.570 497 HB THR 72 HB THR 72 20.921 23.696 -29.840 498 HG1 THR 72 HG1 THR 72 23.067 24.561 -29.552 499 1HG2 THR 72 1HG2 THR 72 21.577 22.823 -27.116 500 2HG2 THR 72 2HG2 THR 72 22.174 24.430 -27.530 501 3HG2 THR 72 3HG2 THR 72 20.454 24.067 -27.668 502 H GLU 73 H GLU 73 21.191 19.407 -30.376 503 HA GLU 73 HA GLU 73 20.447 20.394 -33.016 504 1HB GLU 73 1HB GLU 73 21.676 17.998 -31.946 505 2HB GLU 73 2HB GLU 73 20.356 17.605 -33.038 506 1HG GLU 73 1HG GLU 73 22.872 19.122 -33.608 507 2HG GLU 73 2HG GLU 73 22.250 17.671 -34.394 508 H GLY 74 H GLY 74 18.746 20.185 -30.392 509 1HA GLY 74 1HA GLY 74 16.274 19.668 -31.761 510 2HA GLY 74 2HA GLY 74 16.678 18.410 -30.601 511 H ARG 75 H ARG 75 17.349 21.854 -30.349 512 HA ARG 75 HA ARG 75 15.855 21.908 -27.835 513 1HB ARG 75 1HB ARG 75 18.087 23.523 -28.998 514 2HB ARG 75 2HB ARG 75 17.071 24.234 -27.761 515 1HG ARG 75 1HG ARG 75 18.953 21.938 -27.564 516 2HG ARG 75 2HG ARG 75 18.832 23.374 -26.550 517 1HD ARG 75 1HD ARG 75 17.063 20.947 -26.578 518 2HD ARG 75 2HD ARG 75 17.999 21.606 -25.239 519 HE ARG 75 HE ARG 75 16.217 23.580 -25.916 520 1HH1 ARG 75 1HH1 ARG 75 16.009 20.252 -24.916 521 2HH1 ARG 75 2HH1 ARG 75 14.481 20.448 -24.125 522 1HH2 ARG 75 1HH2 ARG 75 14.203 23.852 -24.877 523 2HH2 ARG 75 2HH2 ARG 75 13.453 22.496 -24.104 524 H GLN 76 H GLN 76 14.804 24.074 -27.341 525 HA GLN 76 HA GLN 76 13.218 24.885 -29.680 526 1HB GLN 76 1HB GLN 76 12.575 25.110 -26.733 527 2HB GLN 76 2HB GLN 76 11.526 25.635 -28.044 528 1HG GLN 76 1HG GLN 76 12.067 23.017 -28.686 529 2HG GLN 76 2HG GLN 76 11.941 22.986 -26.928 530 2HE2 GLN 76 1HE2 GLN 76 10.150 21.716 -28.676 531 1HE2 GLN 76 2HE2 GLN 76 8.602 22.461 -28.500 532 H ASP 77 H ASP 77 15.851 25.883 -28.100 533 HA ASP 77 HA ASP 77 15.382 28.664 -28.811 534 1HB ASP 77 1HB ASP 77 14.790 28.312 -26.348 535 2HB ASP 77 2HB ASP 77 16.508 28.021 -26.091 536 H GLY 78 H GLY 78 17.778 26.683 -27.077 537 1HA GLY 78 1HA GLY 78 19.715 26.278 -28.857 538 2HA GLY 78 2HA GLY 78 19.921 27.995 -28.549 539 H HIS 79 H HIS 79 18.973 25.550 -26.196 540 HA HIS 79 HA HIS 79 21.414 26.183 -24.684 541 1HB HIS 79 1HB HIS 79 18.983 24.830 -23.537 542 2HB HIS 79 2HB HIS 79 20.247 25.720 -22.692 543 HD1 HIS 79 HD1 HIS 79 19.877 28.083 -25.024 544 HD2 HIS 79 HD2 HIS 79 17.133 26.616 -22.270 545 HE1 HIS 79 HE1 HIS 79 18.163 29.902 -24.750 546 HE2 HIS 79 HE2 HIS 79 16.566 29.029 -23.008 547 H LEU 80 H LEU 80 22.956 24.702 -24.672 548 HA LEU 80 HA LEU 80 22.894 22.246 -25.887 549 1HB LEU 80 1HB LEU 80 24.591 23.413 -23.727 550 2HB LEU 80 2HB LEU 80 24.791 21.724 -24.145 551 HG LEU 80 HG LEU 80 25.225 22.410 -26.504 552 1HD1 LEU 80 1HD1 LEU 80 24.966 25.136 -25.280 553 2HD1 LEU 80 2HD1 LEU 80 25.907 24.857 -26.744 554 3HD1 LEU 80 3HD1 LEU 80 24.182 24.493 -26.722 555 1HD2 LEU 80 1HD2 LEU 80 26.908 22.642 -24.224 556 2HD2 LEU 80 2HD2 LEU 80 27.345 22.223 -25.882 557 3HD2 LEU 80 3HD2 LEU 80 27.341 23.911 -25.370 558 H TRP 81 H TRP 81 22.679 20.111 -25.198 559 HA TRP 81 HA TRP 81 21.761 19.544 -22.510 560 1HB TRP 81 1HB TRP 81 19.671 18.465 -23.269 561 2HB TRP 81 2HB TRP 81 19.674 20.195 -23.596 562 HD1 TRP 81 HD1 TRP 81 19.617 20.967 -26.119 563 HE1 TRP 81 HE1 TRP 81 19.181 19.721 -28.327 564 HE3 TRP 81 HE3 TRP 81 20.060 16.161 -24.436 565 HZ2 TRP 81 HZ2 TRP 81 19.042 17.049 -29.236 566 HZ3 TRP 81 HZ3 TRP 81 19.762 14.318 -26.038 567 HH2 TRP 81 HH2 TRP 81 19.263 14.754 -28.388 568 H CYS 82 H CYS 82 21.698 17.276 -22.037 569 HA CYS 82 HA CYS 82 22.805 15.494 -24.071 570 1HB CYS 82 1HB CYS 82 24.540 14.665 -22.575 571 2HB CYS 82 2HB CYS 82 24.739 16.394 -22.830 572 H SER 83 H SER 83 22.680 13.209 -23.443 573 HA SER 83 HA SER 83 20.218 12.718 -21.974 574 1HB SER 83 1HB SER 83 20.191 11.526 -23.976 575 2HB SER 83 2HB SER 83 21.901 11.110 -23.868 576 HG SER 83 HG SER 83 20.626 9.308 -23.389 577 H THR 84 H THR 84 20.088 11.763 -20.029 578 HA THR 84 HA THR 84 22.558 11.249 -18.594 579 HB THR 84 HB THR 84 21.249 11.178 -16.598 580 HG1 THR 84 HG1 THR 84 18.801 11.474 -17.073 581 1HG2 THR 84 1HG2 THR 84 21.456 13.401 -18.039 582 2HG2 THR 84 2HG2 THR 84 19.699 13.253 -18.062 583 3HG2 THR 84 3HG2 THR 84 20.554 13.360 -16.523 584 H THR 85 H THR 85 20.879 9.467 -20.665 585 HA THR 85 HA THR 85 21.807 6.979 -19.573 586 HB THR 85 HB THR 85 18.921 7.704 -19.487 587 HG1 THR 85 HG1 THR 85 20.430 5.832 -17.965 588 1HG2 THR 85 1HG2 THR 85 19.030 5.872 -21.173 589 2HG2 THR 85 2HG2 THR 85 19.799 4.854 -19.955 590 3HG2 THR 85 3HG2 THR 85 18.153 5.437 -19.707 591 H SER 86 H SER 86 22.249 5.539 -21.164 592 HA SER 86 HA SER 86 22.534 6.228 -23.772 593 1HB SER 86 1HB SER 86 21.703 3.425 -23.496 594 2HB SER 86 2HB SER 86 23.231 4.097 -24.066 595 HG SER 86 HG SER 86 23.014 2.866 -21.901 596 H ASN 87 H ASN 87 19.736 4.468 -22.443 597 HA ASN 87 HA ASN 87 18.267 4.717 -24.910 598 1HB ASN 87 1HB ASN 87 18.080 3.136 -22.554 599 2HB ASN 87 2HB ASN 87 16.563 4.012 -22.725 600 2HD2 ASN 87 1HD2 ASN 87 15.729 1.821 -23.024 601 1HD2 ASN 87 2HD2 ASN 87 15.754 1.137 -24.610 602 H TYR 88 H TYR 88 18.507 7.106 -24.924 603 HA TYR 88 HA TYR 88 17.009 8.637 -23.012 604 1HB TYR 88 1HB TYR 88 18.786 9.863 -23.862 605 2HB TYR 88 2HB TYR 88 18.567 9.245 -25.495 606 HD1 TYR 88 HD1 TYR 88 16.911 11.430 -22.969 607 HD2 TYR 88 HD2 TYR 88 17.529 10.575 -27.090 608 HE1 TYR 88 HE1 TYR 88 15.690 13.475 -23.570 609 HE2 TYR 88 HE2 TYR 88 16.309 12.621 -27.703 610 HH TYR 88 HH TYR 88 15.594 15.061 -25.516 611 H GLU 89 H GLU 89 16.536 7.419 -26.271 612 HA GLU 89 HA GLU 89 14.081 8.807 -26.700 613 1HB GLU 89 1HB GLU 89 15.450 6.530 -28.114 614 2HB GLU 89 2HB GLU 89 13.856 7.092 -28.597 615 1HG GLU 89 1HG GLU 89 14.904 9.397 -28.807 616 2HG GLU 89 2HG GLU 89 16.460 8.576 -28.683 617 H GLN 90 H GLN 90 14.838 6.370 -24.631 618 HA GLN 90 HA GLN 90 12.229 5.048 -24.887 619 1HB GLN 90 1HB GLN 90 13.799 3.349 -24.842 620 2HB GLN 90 2HB GLN 90 14.861 4.219 -23.743 621 1HG GLN 90 2HG GLN 90 13.244 3.823 -21.922 622 2HG GLN 90 1HG GLN 90 13.918 2.341 -22.600 623 2HE2 GLN 90 1HE2 GLN 90 12.302 0.956 -22.142 624 1HE2 GLN 90 2HE2 GLN 90 10.696 1.088 -22.768 625 H ASP 91 H ASP 91 14.416 6.297 -22.380 626 HA ASP 91 HA ASP 91 12.265 6.417 -20.451 627 1HB ASP 91 1HB ASP 91 14.644 5.827 -19.861 628 2HB ASP 91 2HB ASP 91 15.069 7.508 -20.171 629 H GLN 92 H GLN 92 14.293 8.723 -22.223 630 HA GLN 92 HA GLN 92 13.746 10.828 -22.978 631 1HB GLN 92 1HB GLN 92 11.326 9.990 -22.798 632 2HB GLN 92 2HB GLN 92 11.290 10.799 -21.238 633 1HG GLN 92 1HG GLN 92 10.514 12.515 -22.456 634 2HG GLN 92 2HG GLN 92 12.228 12.797 -22.761 635 2HE2 GLN 92 1HE2 GLN 92 9.935 10.420 -24.048 636 1HE2 GLN 92 2HE2 GLN 92 10.167 10.838 -25.708 637 H LYS 93 H LYS 93 15.357 10.203 -20.688 638 HA LYS 93 HA LYS 93 14.865 12.549 -18.979 639 1HB LYS 93 1HB LYS 93 16.882 11.015 -17.789 640 2HB LYS 93 2HB LYS 93 15.212 11.161 -17.264 641 1HG LYS 93 1HG LYS 93 15.288 8.920 -17.444 642 2HG LYS 93 2HG LYS 93 14.915 9.264 -19.132 643 1HD LYS 93 1HD LYS 93 16.719 7.873 -19.389 644 2HD LYS 93 2HD LYS 93 17.536 9.438 -19.322 645 1HE LYS 93 1HE LYS 93 18.783 8.479 -17.721 646 2HE LYS 93 2HE LYS 93 17.391 8.791 -16.685 647 1HZ LYS 93 1HZ LYS 93 17.021 6.368 -18.085 648 2HZ LYS 93 2HZ LYS 93 18.519 6.336 -17.300 649 3HZ LYS 93 3HZ LYS 93 17.107 6.626 -16.415 650 H TYR 94 H TYR 94 15.852 14.131 -20.139 651 HA TYR 94 HA TYR 94 18.712 13.779 -20.739 652 1HB TYR 94 1HB TYR 94 18.484 15.357 -22.512 653 2HB TYR 94 2HB TYR 94 17.144 14.228 -22.668 654 HD1 TYR 94 HD1 TYR 94 17.967 17.549 -21.171 655 HD2 TYR 94 HD2 TYR 94 14.991 15.063 -22.919 656 HE1 TYR 94 HE1 TYR 94 16.388 19.433 -21.148 657 HE2 TYR 94 HE2 TYR 94 13.404 16.938 -22.902 658 HH TYR 94 HH TYR 94 13.488 19.403 -21.154 659 H SER 95 H SER 95 19.856 16.012 -20.825 660 HA SER 95 HA SER 95 18.970 17.763 -18.652 661 1HB SER 95 1HB SER 95 21.856 17.336 -18.589 662 2HB SER 95 2HB SER 95 20.687 17.304 -17.270 663 HG SER 95 HG SER 95 21.620 15.223 -18.880 664 H PHE 96 H PHE 96 20.384 19.780 -18.564 665 HA PHE 96 HA PHE 96 20.830 20.668 -21.320 666 1HB PHE 96 1HB PHE 96 20.263 22.112 -18.744 667 2HB PHE 96 2HB PHE 96 20.911 22.970 -20.138 668 HD1 PHE 96 HD1 PHE 96 19.488 21.609 -22.340 669 HD2 PHE 96 HD2 PHE 96 18.101 22.930 -18.540 670 HE1 PHE 96 HE1 PHE 96 17.216 21.841 -23.255 671 HE2 PHE 96 HE2 PHE 96 15.825 23.162 -19.447 672 HZ PHE 96 HZ PHE 96 15.381 22.618 -21.807 673 H CYS 97 H CYS 97 22.515 22.721 -21.121 674 HA CYS 97 HA CYS 97 24.853 22.085 -19.572 675 1HB CYS 97 1HB CYS 97 24.583 21.092 -22.292 676 2HB CYS 97 2HB CYS 97 25.987 22.140 -22.113 677 H THR 98 H THR 98 25.641 23.990 -18.982 678 HA THR 98 HA THR 98 24.842 26.446 -19.992 679 HB THR 98 HB THR 98 26.604 27.432 -18.687 680 HG1 THR 98 HG1 THR 98 28.322 26.219 -17.907 681 1HG2 THR 98 1HG2 THR 98 24.654 26.246 -17.546 682 2HG2 THR 98 2HG2 THR 98 25.807 24.964 -17.169 683 3HG2 THR 98 3HG2 THR 98 26.068 26.595 -16.551 684 H ASP 99 H ASP 99 28.249 25.527 -20.126 685 HA ASP 99 HA ASP 99 29.722 25.447 -21.897 686 1HB ASP 99 1HB ASP 99 27.335 25.158 -23.228 687 2HB ASP 99 2HB ASP 99 27.982 26.634 -23.938 688 H HIS 100 H HIS 100 27.472 28.197 -22.224 689 HA HIS 100 HA HIS 100 29.784 29.995 -21.958 690 1HB HIS 100 1HB HIS 100 27.586 30.086 -24.013 691 2HB HIS 100 2HB HIS 100 28.505 31.524 -23.584 692 HD1 HIS 100 HD1 HIS 100 31.332 30.471 -23.479 693 HD2 HIS 100 HD2 HIS 100 28.604 29.347 -26.405 694 HE1 HIS 100 HE1 HIS 100 32.719 29.691 -25.426 695 HE2 HIS 100 HE2 HIS 100 31.048 29.092 -27.214 696 H THR 101 H THR 101 29.379 31.992 -20.964 697 HA THR 101 HA THR 101 27.450 31.958 -18.911 698 HB THR 101 HB THR 101 29.629 33.235 -18.878 699 HG1 THR 101 HG1 THR 101 28.540 33.985 -17.221 700 1HG2 THR 101 1HG2 THR 101 28.360 34.565 -21.089 701 2HG2 THR 101 2HG2 THR 101 28.722 35.727 -19.814 702 3HG2 THR 101 3HG2 THR 101 30.010 34.729 -20.488 No H/Q in entry = 702 Start of MODEL 11 1 H1 TYR 1 H1 TYR 1 50.332 -1.061 -42.674 2 H2 TYR 1 H2 TYR 1 50.473 -2.744 -42.791 3 H3 TYR 1 H3 TYR 1 49.162 -1.951 -43.511 4 HA TYR 1 HA TYR 1 48.245 -2.844 -41.597 5 1HB TYR 1 1HB TYR 1 50.975 -2.356 -40.597 6 2HB TYR 1 2HB TYR 1 49.702 -2.114 -39.405 7 HD1 TYR 1 HD1 TYR 1 50.988 -4.592 -41.865 8 HD2 TYR 1 HD2 TYR 1 48.776 -3.946 -38.290 9 HE1 TYR 1 HE1 TYR 1 50.878 -7.022 -41.502 10 HE2 TYR 1 HE2 TYR 1 48.660 -6.373 -37.915 11 HH TYR 1 HH TYR 1 48.834 -8.435 -39.135 12 H GLY 2 H GLY 2 47.006 -1.763 -39.930 13 1HA GLY 2 1HA GLY 2 47.356 1.007 -39.368 14 2HA GLY 2 2HA GLY 2 46.132 0.772 -40.607 15 H HIS 3 H HIS 3 46.841 -1.283 -37.813 16 HA HIS 3 HA HIS 3 44.133 -0.694 -36.813 17 1HB HIS 3 1HB HIS 3 45.481 -3.223 -37.364 18 2HB HIS 3 2HB HIS 3 44.826 -3.147 -35.732 19 HD1 HIS 3 HD1 HIS 3 43.879 -3.803 -39.175 20 HD2 HIS 3 HD2 HIS 3 41.951 -2.538 -35.719 21 HE1 HIS 3 HE1 HIS 3 41.427 -4.165 -39.603 22 HE2 HIS 3 HE2 HIS 3 40.276 -3.350 -37.516 23 H CYS 4 H CYS 4 43.880 -0.211 -34.692 24 HA CYS 4 HA CYS 4 46.334 -0.055 -33.071 25 1HB CYS 4 1HB CYS 4 44.489 1.614 -31.854 26 2HB CYS 4 2HB CYS 4 45.798 2.122 -32.912 27 H VAL 5 H VAL 5 46.127 -0.429 -30.784 28 HA VAL 5 HA VAL 5 43.714 -1.786 -29.879 29 HB VAL 5 HB VAL 5 46.147 -3.257 -29.136 30 1HG1 VAL 5 1HG1 VAL 5 43.325 -3.663 -29.349 31 2HG1 VAL 5 2HG1 VAL 5 44.169 -4.914 -30.261 32 3HG1 VAL 5 3HG1 VAL 5 44.537 -4.668 -28.554 33 1HG2 VAL 5 1HG2 VAL 5 45.238 -3.097 -31.991 34 2HG2 VAL 5 2HG2 VAL 5 46.876 -3.016 -31.342 35 3HG2 VAL 5 3HG2 VAL 5 46.007 -4.551 -31.353 36 H THR 6 H THR 6 43.223 -0.788 -28.048 37 HA THR 6 HA THR 6 44.907 0.831 -26.546 38 HB THR 6 HB THR 6 43.209 0.928 -24.891 39 HG1 THR 6 HG1 THR 6 41.867 -0.714 -24.451 40 1HG2 THR 6 1HG2 THR 6 42.644 1.689 -27.278 41 2HG2 THR 6 2HG2 THR 6 41.634 0.245 -27.358 42 3HG2 THR 6 3HG2 THR 6 41.307 1.485 -26.147 43 H ASP 7 H ASP 7 44.438 -2.616 -26.444 44 HA ASP 7 HA ASP 7 46.783 -3.167 -25.080 45 1HB ASP 7 1HB ASP 7 44.864 -2.178 -23.303 46 2HB ASP 7 2HB ASP 7 44.851 -3.922 -23.057 47 H SER 8 H SER 8 43.412 -4.296 -25.050 48 HA SER 8 HA SER 8 43.746 -6.462 -26.732 49 1HB SER 8 1HB SER 8 45.269 -7.507 -25.242 50 2HB SER 8 2HB SER 8 44.278 -7.119 -23.836 51 HG SER 8 HG SER 8 43.428 -8.830 -25.930 52 H GLY 9 H GLY 9 41.703 -5.035 -26.873 53 1HA GLY 9 1HA GLY 9 39.490 -6.658 -26.126 54 2HA GLY 9 2HA GLY 9 39.568 -5.222 -25.121 55 H VAL 10 H VAL 10 40.402 -3.318 -26.889 56 HA VAL 10 HA VAL 10 38.177 -3.247 -28.821 57 HB VAL 10 HB VAL 10 39.513 -0.939 -27.400 58 1HG1 VAL 10 1HG1 VAL 10 37.639 -1.079 -29.697 59 2HG1 VAL 10 2HG1 VAL 10 37.378 0.189 -28.499 60 3HG1 VAL 10 3HG1 VAL 10 38.920 0.082 -29.348 61 1HG2 VAL 10 1HG2 VAL 10 37.917 -2.407 -26.089 62 2HG2 VAL 10 2HG2 VAL 10 37.518 -0.691 -26.159 63 3HG2 VAL 10 3HG2 VAL 10 36.652 -1.841 -27.179 64 H VAL 11 H VAL 11 39.468 -4.217 -30.464 65 HA VAL 11 HA VAL 11 41.959 -3.168 -31.304 66 HB VAL 11 HB VAL 11 39.999 -4.674 -33.036 67 1HG1 VAL 11 1HG1 VAL 11 42.096 -3.560 -34.001 68 2HG1 VAL 11 2HG1 VAL 11 42.996 -4.799 -33.125 69 3HG1 VAL 11 3HG1 VAL 11 41.831 -5.265 -34.364 70 1HG2 VAL 11 1HG2 VAL 11 40.844 -5.585 -30.630 71 2HG2 VAL 11 2HG2 VAL 11 40.459 -6.621 -32.004 72 3HG2 VAL 11 3HG2 VAL 11 42.134 -6.174 -31.679 73 H TYR 12 H TYR 12 41.718 -0.922 -31.469 74 HA TYR 12 HA TYR 12 39.732 0.295 -33.110 75 1HB TYR 12 1HB TYR 12 42.255 1.291 -31.807 76 2HB TYR 12 2HB TYR 12 41.308 2.321 -32.877 77 HD1 TYR 12 HD1 TYR 12 38.616 2.041 -32.263 78 HD2 TYR 12 HD2 TYR 12 41.903 1.720 -29.581 79 HE1 TYR 12 HE1 TYR 12 37.134 2.623 -30.388 80 HE2 TYR 12 HE2 TYR 12 40.430 2.300 -27.697 81 HH TYR 12 HH TYR 12 37.834 2.087 -27.256 82 H SER 13 H SER 13 40.520 1.914 -34.847 83 HA SER 13 HA SER 13 42.651 0.832 -36.514 84 1HB SER 13 1HB SER 13 39.743 0.899 -37.269 85 2HB SER 13 2HB SER 13 40.985 1.071 -38.510 86 HG SER 13 HG SER 13 40.123 -1.154 -37.296 87 H VAL 14 H VAL 14 43.715 2.367 -37.634 88 HA VAL 14 HA VAL 14 43.699 4.992 -36.959 89 HB VAL 14 HB VAL 14 45.516 4.286 -38.253 90 1HG1 VAL 14 1HG1 VAL 14 43.701 2.674 -39.550 91 2HG1 VAL 14 2HG1 VAL 14 44.232 3.783 -40.814 92 3HG1 VAL 14 3HG1 VAL 14 45.417 2.820 -39.932 93 1HG2 VAL 14 1HG2 VAL 14 44.587 6.604 -38.778 94 2HG2 VAL 14 2HG2 VAL 14 45.738 5.918 -39.925 95 3HG2 VAL 14 3HG2 VAL 14 44.013 5.900 -40.291 96 H GLY 15 H GLY 15 41.583 5.768 -36.715 97 1HA GLY 15 1HA GLY 15 40.393 7.553 -38.039 98 2HA GLY 15 2HA GLY 15 40.143 6.294 -39.237 99 H MET 16 H MET 16 39.965 4.789 -36.328 100 HA MET 16 HA MET 16 37.204 4.300 -36.494 101 1HB MET 16 1HB MET 16 38.817 2.775 -35.409 102 2HB MET 16 2HB MET 16 39.032 3.941 -34.112 103 1HG MET 16 1HG MET 16 37.243 3.199 -33.042 104 2HG MET 16 2HG MET 16 36.245 3.328 -34.489 105 1HE MET 16 1HE MET 16 35.620 1.856 -35.913 106 2HE MET 16 2HE MET 16 36.748 0.643 -36.517 107 3HE MET 16 3HE MET 16 35.386 0.155 -35.510 108 H GLN 17 H GLN 17 39.061 6.698 -34.764 109 HA GLN 17 HA GLN 17 38.468 8.344 -33.282 110 1HB GLN 17 1HB GLN 17 36.890 8.528 -35.707 111 2HB GLN 17 2HB GLN 17 36.053 9.258 -34.342 112 1HG GLN 17 1HG GLN 17 38.362 10.402 -33.919 113 2HG GLN 17 2HG GLN 17 38.625 10.032 -35.622 114 2HE2 GLN 17 1HE2 GLN 17 36.989 12.009 -33.351 115 1HE2 GLN 17 2HE2 GLN 17 36.196 13.045 -34.483 116 H TRP 18 H TRP 18 37.984 7.518 -31.325 117 HA TRP 18 HA TRP 18 35.143 6.965 -30.793 118 1HB TRP 18 1HB TRP 18 35.825 5.175 -29.235 119 2HB TRP 18 2HB TRP 18 36.337 4.836 -30.884 120 HD1 TRP 18 HD1 TRP 18 37.683 5.425 -27.411 121 HE1 TRP 18 HE1 TRP 18 40.230 5.107 -27.421 122 HE3 TRP 18 HE3 TRP 18 38.444 5.139 -32.459 123 HZ2 TRP 18 HZ2 TRP 18 42.303 4.781 -29.322 124 HZ3 TRP 18 HZ3 TRP 18 40.735 4.826 -33.292 125 HH2 TRP 18 HH2 TRP 18 42.625 4.650 -31.761 126 H LEU 19 H LEU 19 35.386 6.510 -28.053 127 HA LEU 19 HA LEU 19 36.667 8.892 -26.946 128 1HB LEU 19 1HB LEU 19 34.358 9.526 -27.564 129 2HB LEU 19 2HB LEU 19 33.748 8.239 -26.541 130 HG LEU 19 HG LEU 19 35.405 9.749 -24.875 131 1HD1 LEU 19 1HD1 LEU 19 35.214 11.452 -26.781 132 2HD1 LEU 19 2HD1 LEU 19 33.539 11.640 -26.262 133 3HD1 LEU 19 3HD1 LEU 19 34.856 11.996 -25.143 134 1HD2 LEU 19 1HD2 LEU 19 32.848 8.709 -24.899 135 2HD2 LEU 19 2HD2 LEU 19 33.607 9.582 -23.568 136 3HD2 LEU 19 3HD2 LEU 19 32.591 10.445 -24.722 137 H LYS 20 H LYS 20 37.720 8.367 -25.142 138 HA LYS 20 HA LYS 20 36.896 5.934 -23.707 139 1HB LYS 20 2HB LYS 20 39.244 6.186 -24.789 140 2HB LYS 20 1HB LYS 20 39.117 5.523 -23.164 141 1HG LYS 20 1HG LYS 20 39.821 8.363 -23.870 142 2HG LYS 20 2HG LYS 20 39.660 7.722 -22.233 143 1HD LYS 20 1HD LYS 20 41.447 6.168 -23.956 144 2HD LYS 20 2HD LYS 20 41.987 7.823 -23.668 145 1HE LYS 20 1HE LYS 20 41.886 7.495 -21.288 146 2HE LYS 20 2HE LYS 20 41.173 5.897 -21.500 147 1HZ LYS 20 1HZ LYS 20 43.733 6.348 -22.805 148 2HZ LYS 20 2HZ LYS 20 43.763 6.289 -21.114 149 3HZ LYS 20 3HZ LYS 20 43.156 4.979 -21.997 150 H THR 21 H THR 21 36.532 5.979 -21.538 151 HA THR 21 HA THR 21 36.827 8.569 -20.170 152 HB THR 21 HB THR 21 34.431 6.740 -20.164 153 HG1 THR 21 HG1 THR 21 34.254 8.330 -21.691 154 1HG2 THR 21 1HG2 THR 21 35.048 8.986 -18.238 155 2HG2 THR 21 2HG2 THR 21 33.502 8.147 -18.369 156 3HG2 THR 21 3HG2 THR 21 34.940 7.271 -17.839 157 H GLN 22 H GLN 22 37.143 5.136 -20.052 158 HA GLN 22 HA GLN 22 37.407 4.955 -17.198 159 1HB GLN 22 1HB GLN 22 38.113 2.988 -19.382 160 2HB GLN 22 2HB GLN 22 38.142 2.631 -17.660 161 1HG GLN 22 1HG GLN 22 35.601 3.696 -18.215 162 2HG GLN 22 2HG GLN 22 35.957 2.535 -19.494 163 2HE2 GLN 22 1HE2 GLN 22 34.026 1.581 -18.310 164 1HE2 GLN 22 2HE2 GLN 22 34.383 0.458 -17.048 165 H GLY 23 H GLY 23 39.043 6.219 -16.453 166 1HA GLY 23 1HA GLY 23 41.613 5.318 -16.290 167 2HA GLY 23 2HA GLY 23 41.614 6.325 -17.732 168 H ASN 24 H ASN 24 39.638 8.188 -16.707 169 HA ASN 24 HA ASN 24 40.499 9.302 -14.250 170 1HB ASN 24 1HB ASN 24 41.986 10.052 -16.648 171 2HB ASN 24 2HB ASN 24 41.292 11.441 -15.819 172 2HD2 ASN 24 1HD2 ASN 24 41.501 11.030 -13.267 173 1HD2 ASN 24 2HD2 ASN 24 43.127 10.720 -12.770 174 H LYS 25 H LYS 25 39.548 10.682 -17.403 175 HA LYS 25 HA LYS 25 36.936 11.370 -16.284 176 1HB LYS 25 2HB LYS 25 37.149 13.621 -16.438 177 2HB LYS 25 1HB LYS 25 38.153 13.530 -17.879 178 1HG LYS 25 1HG LYS 25 40.021 12.760 -16.324 179 2HG LYS 25 2HG LYS 25 39.538 14.456 -16.245 180 1HD LYS 25 1HD LYS 25 37.874 13.276 -14.412 181 2HD LYS 25 2HD LYS 25 39.366 12.354 -14.221 182 1HE LYS 25 1HE LYS 25 39.791 15.235 -14.436 183 2HE LYS 25 2HE LYS 25 38.810 14.771 -13.044 184 1HZ LYS 25 1HZ LYS 25 41.259 13.256 -13.560 185 2HZ LYS 25 2HZ LYS 25 41.420 14.818 -12.933 186 3HZ LYS 25 3HZ LYS 25 40.526 13.655 -12.089 187 H GLN 26 H GLN 26 36.370 13.132 -18.551 188 HA GLN 26 HA GLN 26 35.755 11.059 -20.497 189 1HB GLN 26 1HB GLN 26 34.842 13.908 -20.135 190 2HB GLN 26 2HB GLN 26 34.445 12.978 -21.574 191 1HG GLN 26 1HG GLN 26 33.355 11.292 -20.146 192 2HG GLN 26 2HG GLN 26 33.693 12.299 -18.740 193 2HE2 GLN 26 1HE2 GLN 26 31.261 11.398 -20.529 194 1HE2 GLN 26 2HE2 GLN 26 30.313 12.841 -20.594 195 H MET 27 H MET 27 37.511 10.640 -21.731 196 HA MET 27 HA MET 27 38.737 12.927 -23.126 197 1HB MET 27 1HB MET 27 40.021 11.227 -21.426 198 2HB MET 27 2HB MET 27 40.299 10.436 -22.972 199 1HG MET 27 1HG MET 27 40.925 12.957 -23.638 200 2HG MET 27 2HG MET 27 41.345 12.982 -21.926 201 1HE MET 27 1HE MET 27 43.076 13.589 -24.276 202 2HE MET 27 2HE MET 27 44.254 13.353 -22.984 203 3HE MET 27 3HE MET 27 44.442 12.500 -24.517 204 H LEU 28 H LEU 28 38.709 12.916 -25.281 205 HA LEU 28 HA LEU 28 37.432 10.677 -26.637 206 1HB LEU 28 1HB LEU 28 36.728 12.993 -27.125 207 2HB LEU 28 2HB LEU 28 38.341 13.348 -27.716 208 HG LEU 28 HG LEU 28 37.724 11.226 -29.274 209 1HD1 LEU 28 1HD1 LEU 28 35.164 12.483 -28.410 210 2HD1 LEU 28 2HD1 LEU 28 35.332 11.919 -30.072 211 3HD1 LEU 28 3HD1 LEU 28 35.537 10.791 -28.733 212 1HD2 LEU 28 1HD2 LEU 28 38.124 13.965 -29.574 213 2HD2 LEU 28 2HD2 LEU 28 38.091 12.750 -30.852 214 3HD2 LEU 28 3HD2 LEU 28 36.621 13.629 -30.433 215 H CYS 29 H CYS 29 38.526 9.145 -27.692 216 HA CYS 29 HA CYS 29 41.391 9.593 -28.183 217 1HB CYS 29 1HB CYS 29 39.764 7.199 -27.492 218 2HB CYS 29 2HB CYS 29 41.201 6.957 -28.479 219 H THR 30 H THR 30 42.335 9.119 -30.139 220 HA THR 30 HA THR 30 40.596 8.311 -32.354 221 HB THR 30 HB THR 30 42.380 10.754 -32.414 222 HG1 THR 30 HG1 THR 30 40.500 11.494 -31.659 223 1HG2 THR 30 1HG2 THR 30 41.000 9.203 -34.580 224 2HG2 THR 30 2HG2 THR 30 41.258 10.939 -34.752 225 3HG2 THR 30 3HG2 THR 30 42.637 9.858 -34.549 226 H CYS 31 H CYS 31 41.730 7.473 -34.179 227 HA CYS 31 HA CYS 31 44.474 6.614 -33.540 228 1HB CYS 31 1HB CYS 31 42.607 4.861 -33.593 229 2HB CYS 31 2HB CYS 31 42.573 5.108 -35.324 230 H LEU 32 H LEU 32 45.737 7.976 -34.651 231 HA LEU 32 HA LEU 32 45.028 8.954 -37.259 232 1HB LEU 32 1HB LEU 32 47.532 9.782 -37.054 233 2HB LEU 32 2HB LEU 32 46.222 10.572 -36.199 234 HG LEU 32 HG LEU 32 47.543 8.380 -34.730 235 1HD1 LEU 32 1HD1 LEU 32 49.354 9.690 -36.019 236 2HD1 LEU 32 2HD1 LEU 32 48.991 10.989 -34.885 237 3HD1 LEU 32 3HD1 LEU 32 49.554 9.428 -34.287 238 1HD2 LEU 32 1HD2 LEU 32 45.742 9.888 -33.850 239 2HD2 LEU 32 2HD2 LEU 32 47.208 9.827 -32.870 240 3HD2 LEU 32 3HD2 LEU 32 46.906 11.210 -33.923 241 H GLY 33 H GLY 33 47.363 6.644 -35.954 242 1HA GLY 33 1HA GLY 33 47.432 4.782 -37.860 243 2HA GLY 33 2HA GLY 33 48.381 6.050 -38.615 244 H ASN 34 H ASN 34 49.999 7.019 -36.836 245 HA ASN 34 HA ASN 34 51.817 4.870 -36.283 246 1HB ASN 34 1HB ASN 34 53.364 6.574 -35.603 247 2HB ASN 34 2HB ASN 34 52.511 7.181 -37.020 248 2HD2 ASN 34 1HD2 ASN 34 52.635 7.307 -33.509 249 1HD2 ASN 34 2HD2 ASN 34 51.958 8.889 -33.359 250 H GLY 35 H GLY 35 49.337 6.486 -34.600 251 1HA GLY 35 1HA GLY 35 49.484 4.777 -32.363 252 2HA GLY 35 2HA GLY 35 50.178 6.338 -31.946 253 H VAL 36 H VAL 36 48.210 5.972 -30.413 254 HA VAL 36 HA VAL 36 45.774 7.006 -31.692 255 HB VAL 36 HB VAL 36 46.201 5.485 -29.130 256 1HG1 VAL 36 1HG1 VAL 36 43.760 7.046 -29.961 257 2HG1 VAL 36 2HG1 VAL 36 43.754 5.795 -28.718 258 3HG1 VAL 36 3HG1 VAL 36 44.721 7.253 -28.496 259 1HG2 VAL 36 1HG2 VAL 36 44.883 5.005 -31.745 260 2HG2 VAL 36 2HG2 VAL 36 45.837 3.914 -30.739 261 3HG2 VAL 36 3HG2 VAL 36 44.164 4.273 -30.311 262 H SER 37 H SER 37 45.344 9.083 -31.472 263 HA SER 37 HA SER 37 46.561 10.550 -29.231 264 1HB SER 37 1HB SER 37 47.162 11.206 -31.613 265 2HB SER 37 2HB SER 37 45.496 11.758 -31.787 266 HG SER 37 HG SER 37 46.243 13.540 -30.962 267 H CYS 38 H CYS 38 45.197 10.946 -27.629 268 HA CYS 38 HA CYS 38 42.368 11.435 -28.280 269 1HB CYS 38 1HB CYS 38 43.261 10.779 -25.505 270 2HB CYS 38 2HB CYS 38 41.731 10.432 -26.292 271 H GLN 39 H GLN 39 41.271 13.124 -27.213 272 HA GLN 39 HA GLN 39 43.057 15.204 -26.133 273 1HB GLN 39 1HB GLN 39 42.083 15.817 -28.299 274 2HB GLN 39 2HB GLN 39 40.469 15.540 -27.660 275 1HG GLN 39 1HG GLN 39 40.431 17.491 -26.521 276 2HG GLN 39 2HG GLN 39 42.161 17.458 -26.185 277 2HE2 GLN 39 1HE2 GLN 39 40.418 17.272 -29.255 278 1HE2 GLN 39 2HE2 GLN 39 41.134 18.682 -29.951 279 H GLU 40 H GLU 40 42.740 15.768 -24.092 280 HA GLU 40 HA GLU 40 40.680 14.618 -22.522 281 1HB GLU 40 1HB GLU 40 43.109 15.951 -22.048 282 2HB GLU 40 2HB GLU 40 41.873 16.924 -21.264 283 1HG GLU 40 1HG GLU 40 41.263 14.290 -20.592 284 2HG GLU 40 2HG GLU 40 43.017 14.413 -20.459 285 H THR 41 H THR 41 38.642 15.195 -23.093 286 HA THR 41 HA THR 41 37.983 17.990 -23.510 287 HB THR 41 HB THR 41 36.868 15.517 -24.377 288 HG1 THR 41 HG1 THR 41 35.479 17.197 -25.519 289 1HG2 THR 41 1HG2 THR 41 35.343 15.633 -22.446 290 2HG2 THR 41 2HG2 THR 41 34.843 17.251 -22.946 291 3HG2 THR 41 3HG2 THR 41 34.483 15.858 -23.970 292 H ALA 42 H ALA 42 37.636 15.513 -21.088 293 HA ALA 42 HA ALA 42 35.742 15.962 -19.390 294 1HB ALA 42 2HB ALA 42 38.145 16.455 -17.856 295 2HB ALA 42 3HB ALA 42 37.069 15.057 -17.858 296 3HB ALA 42 1HB ALA 42 38.368 15.172 -19.044 297 H VAL 43 H VAL 43 34.594 17.851 -19.489 298 HA VAL 43 HA VAL 43 35.741 20.101 -18.020 299 HB VAL 43 HB VAL 43 34.495 21.603 -19.771 300 1HG1 VAL 43 1HG1 VAL 43 37.221 20.521 -19.674 301 2HG1 VAL 43 2HG1 VAL 43 36.772 21.271 -21.205 302 3HG1 VAL 43 3HG1 VAL 43 36.662 22.192 -19.706 303 1HG2 VAL 43 1HG2 VAL 43 34.329 19.040 -21.000 304 2HG2 VAL 43 2HG2 VAL 43 33.732 20.591 -21.591 305 3HG2 VAL 43 3HG2 VAL 43 35.372 20.072 -21.979 306 H THR 44 H THR 44 32.771 19.436 -19.888 307 HA THR 44 HA THR 44 31.057 20.764 -18.109 308 HB THR 44 HB THR 44 29.605 18.674 -19.395 309 HG1 THR 44 HG1 THR 44 30.302 19.042 -21.552 310 1HG2 THR 44 1HG2 THR 44 29.391 21.383 -18.975 311 2HG2 THR 44 2HG2 THR 44 29.628 21.278 -20.719 312 3HG2 THR 44 3HG2 THR 44 28.297 20.409 -19.956 313 H GLN 45 H GLN 45 29.881 20.127 -16.370 314 HA GLN 45 HA GLN 45 30.431 17.430 -15.330 315 1HB GLN 45 2HB GLN 45 30.080 18.328 -13.105 316 2HB GLN 45 1HB GLN 45 29.599 19.883 -13.772 317 1HG GLN 45 1HG GLN 45 32.018 19.706 -14.867 318 2HG GLN 45 2HG GLN 45 31.734 20.395 -13.270 319 2HE2 GLN 45 1HE2 GLN 45 32.631 19.456 -11.531 320 1HE2 GLN 45 2HE2 GLN 45 33.577 18.010 -11.574 321 H THR 46 H THR 46 28.450 17.439 -13.327 322 HA THR 46 HA THR 46 25.930 17.661 -14.808 323 HB THR 46 HB THR 46 25.250 15.420 -13.823 324 HG1 THR 46 HG1 THR 46 27.409 15.535 -12.525 325 1HG2 THR 46 1HG2 THR 46 26.174 16.005 -16.232 326 2HG2 THR 46 2HG2 THR 46 27.500 14.962 -15.719 327 3HG2 THR 46 3HG2 THR 46 25.850 14.339 -15.753 328 H TYR 47 H TYR 47 24.221 18.293 -13.618 329 HA TYR 47 HA TYR 47 24.290 18.120 -10.714 330 1HB TYR 47 1HB TYR 47 23.832 20.532 -10.434 331 2HB TYR 47 2HB TYR 47 25.418 20.241 -11.144 332 HD1 TYR 47 HD1 TYR 47 21.903 21.049 -12.080 333 HD2 TYR 47 HD2 TYR 47 26.020 21.336 -13.111 334 HE1 TYR 47 HE1 TYR 47 21.323 22.524 -13.961 335 HE2 TYR 47 HE2 TYR 47 25.451 22.808 -14.995 336 HH TYR 47 HH TYR 47 23.516 24.405 -15.567 337 H GLY 48 H GLY 48 22.306 17.779 -9.891 338 1HA GLY 48 1HA GLY 48 20.058 17.281 -9.901 339 2HA GLY 48 2HA GLY 48 19.906 18.881 -10.611 340 H GLY 49 H GLY 49 18.288 18.496 -12.044 341 1HA GLY 49 1HA GLY 49 17.722 18.058 -14.292 342 2HA GLY 49 2HA GLY 49 19.009 16.865 -14.359 343 H ASN 50 H ASN 50 18.388 14.815 -14.400 344 HA ASN 50 HA ASN 50 15.751 14.139 -13.269 345 1HB ASN 50 1HB ASN 50 16.798 13.731 -15.916 346 2HB ASN 50 2HB ASN 50 16.468 12.171 -15.167 347 2HD2 ASN 50 1HD2 ASN 50 14.308 12.878 -13.567 348 1HD2 ASN 50 2HD2 ASN 50 12.966 13.262 -14.585 349 H SER 51 H SER 51 19.111 13.482 -13.313 350 HA SER 51 HA SER 51 18.675 11.189 -11.519 351 1HB SER 51 1HB SER 51 19.943 11.117 -14.031 352 2HB SER 51 2HB SER 51 21.238 11.031 -12.837 353 HG SER 51 HG SER 51 19.230 9.216 -13.416 354 H ASN 52 H ASN 52 19.118 14.069 -10.996 355 HA ASN 52 HA ASN 52 20.413 15.460 -9.727 356 1HB ASN 52 1HB ASN 52 19.566 13.859 -8.045 357 2HB ASN 52 2HB ASN 52 20.994 12.858 -8.295 358 2HD2 ASN 52 1HD2 ASN 52 19.778 15.853 -7.010 359 1HD2 ASN 52 2HD2 ASN 52 21.161 16.234 -6.047 360 H GLY 53 H GLY 53 21.727 14.176 -12.052 361 1HA GLY 53 1HA GLY 53 23.835 14.524 -12.973 362 2HA GLY 53 2HA GLY 53 24.431 14.955 -11.377 363 H GLU 54 H GLU 54 23.635 12.277 -13.510 364 HA GLU 54 HA GLU 54 25.328 10.533 -11.845 365 1HB GLU 54 1HB GLU 54 22.821 10.011 -13.373 366 2HB GLU 54 2HB GLU 54 23.999 8.714 -13.235 367 1HG GLU 54 2HG GLU 54 22.566 8.344 -11.458 368 2HG GLU 54 1HG GLU 54 22.414 10.060 -11.089 369 HA PRO 55 HA PRO 55 28.249 9.765 -15.026 370 1HB PRO 55 1HB PRO 55 28.004 7.012 -15.425 371 2HB PRO 55 2HB PRO 55 29.028 7.794 -14.218 372 1HG PRO 55 2HG PRO 55 27.688 6.579 -12.785 373 2HG PRO 55 1HG PRO 55 26.318 6.587 -13.911 374 1HD PRO 55 1HD PRO 55 25.585 8.193 -12.406 375 2HD PRO 55 2HD PRO 55 27.235 8.728 -12.028 376 H CYS 56 H CYS 56 27.463 10.762 -16.831 377 HA CYS 56 HA CYS 56 25.258 10.139 -18.346 378 1HB CYS 56 1HB CYS 56 27.874 11.113 -19.498 379 2HB CYS 56 2HB CYS 56 26.258 11.391 -20.136 380 H VAL 57 H VAL 57 25.805 9.540 -20.909 381 HA VAL 57 HA VAL 57 27.327 7.049 -20.974 382 HB VAL 57 HB VAL 57 24.913 6.574 -20.293 383 1HG1 VAL 57 1HG1 VAL 57 24.425 8.098 -22.637 384 2HG1 VAL 57 2HG1 VAL 57 23.834 6.459 -22.908 385 3HG1 VAL 57 3HG1 VAL 57 23.260 7.386 -21.522 386 1HG2 VAL 57 1HG2 VAL 57 26.600 4.975 -21.357 387 2HG2 VAL 57 2HG2 VAL 57 24.895 4.531 -21.445 388 3HG2 VAL 57 3HG2 VAL 57 25.702 5.218 -22.856 389 H LEU 58 H LEU 58 28.237 9.182 -22.246 390 HA LEU 58 HA LEU 58 27.295 9.012 -25.021 391 1HB LEU 58 1HB LEU 58 29.066 11.022 -25.124 392 2HB LEU 58 2HB LEU 58 27.372 11.246 -24.736 393 HG LEU 58 HG LEU 58 28.927 12.489 -23.249 394 1HD1 LEU 58 1HD1 LEU 58 26.629 11.093 -22.613 395 2HD1 LEU 58 2HD1 LEU 58 27.746 10.698 -21.307 396 3HD1 LEU 58 3HD1 LEU 58 27.372 12.383 -21.667 397 1HD2 LEU 58 1HD2 LEU 58 30.153 9.893 -23.060 398 2HD2 LEU 58 2HD2 LEU 58 30.751 11.459 -22.513 399 3HD2 LEU 58 3HD2 LEU 58 29.717 10.493 -21.460 400 HA PRO 59 HA PRO 59 28.551 10.341 -26.786 401 1HB PRO 59 1HB PRO 59 28.948 9.284 -29.245 402 2HB PRO 59 2HB PRO 59 30.154 10.291 -28.433 403 1HG PRO 59 1HG PRO 59 30.016 7.309 -28.653 404 2HG PRO 59 2HG PRO 59 31.419 8.380 -28.826 405 1HD PRO 59 1HD PRO 59 30.897 6.990 -26.553 406 2HD PRO 59 2HD PRO 59 31.713 8.568 -26.551 407 H PHE 60 H PHE 60 26.415 10.270 -27.041 408 HA PHE 60 HA PHE 60 25.146 7.657 -27.527 409 1HB PHE 60 1HB PHE 60 23.094 8.810 -26.534 410 2HB PHE 60 2HB PHE 60 24.410 8.448 -25.422 411 HD1 PHE 60 HD1 PHE 60 23.113 11.185 -27.582 412 HD2 PHE 60 HD2 PHE 60 25.212 10.113 -24.039 413 HE1 PHE 60 HE1 PHE 60 23.185 13.552 -26.914 414 HE2 PHE 60 HE2 PHE 60 25.288 12.479 -23.363 415 HZ PHE 60 HZ PHE 60 24.274 14.201 -24.803 416 H THR 61 H THR 61 22.872 7.973 -28.545 417 HA THR 61 HA THR 61 23.164 9.819 -30.825 418 HB THR 61 HB THR 61 21.336 7.505 -31.104 419 HG1 THR 61 HG1 THR 61 23.468 6.376 -31.803 420 1HG2 THR 61 1HG2 THR 61 21.723 9.116 -32.921 421 2HG2 THR 61 2HG2 THR 61 23.439 8.710 -32.908 422 3HG2 THR 61 3HG2 THR 61 22.250 7.493 -33.369 423 H TYR 62 H TYR 62 21.825 11.487 -30.673 424 HA TYR 62 HA TYR 62 19.081 10.999 -29.727 425 1HB TYR 62 1HB TYR 62 20.153 12.124 -27.913 426 2HB TYR 62 2HB TYR 62 20.913 13.285 -28.996 427 HD1 TYR 62 HD1 TYR 62 17.503 12.114 -28.006 428 HD2 TYR 62 HD2 TYR 62 19.961 15.380 -29.189 429 HE1 TYR 62 HE1 TYR 62 15.611 13.650 -27.678 430 HE2 TYR 62 HE2 TYR 62 18.075 16.924 -28.863 431 HH TYR 62 HH TYR 62 15.048 15.855 -27.446 432 H ASN 63 H ASN 63 17.484 11.887 -30.914 433 HA ASN 63 HA ASN 63 16.418 12.947 -32.618 434 1HB ASN 63 1HB ASN 63 18.047 14.858 -31.564 435 2HB ASN 63 2HB ASN 63 18.599 14.831 -33.236 436 2HD2 ASN 63 1HD2 ASN 63 16.155 15.793 -31.075 437 1HD2 ASN 63 2HD2 ASN 63 15.093 16.517 -32.228 438 H GLY 64 H GLY 64 18.824 10.968 -32.975 439 1HA GLY 64 1HA GLY 64 19.074 9.680 -34.975 440 2HA GLY 64 2HA GLY 64 18.751 11.133 -35.910 441 H ARG 65 H ARG 65 20.673 12.510 -33.904 442 HA ARG 65 HA ARG 65 23.082 11.854 -35.440 443 1HB ARG 65 1HB ARG 65 23.931 14.029 -34.725 444 2HB ARG 65 2HB ARG 65 22.355 14.196 -35.484 445 1HG ARG 65 1HG ARG 65 22.024 13.844 -32.664 446 2HG ARG 65 2HG ARG 65 23.174 15.144 -32.979 447 1HD ARG 65 1HD ARG 65 20.613 15.647 -32.868 448 2HD ARG 65 2HD ARG 65 21.624 16.434 -34.081 449 HE ARG 65 HE ARG 65 20.535 14.003 -35.061 450 1HH1 ARG 65 1HH1 ARG 65 19.753 17.330 -34.395 451 2HH1 ARG 65 2HH1 ARG 65 18.490 17.406 -35.578 452 1HH2 ARG 65 1HH2 ARG 65 18.870 14.091 -36.622 453 2HH2 ARG 65 2HH2 ARG 65 17.987 15.564 -36.844 454 H THR 66 H THR 66 25.006 12.892 -33.715 455 HA THR 66 HA THR 66 24.815 11.141 -31.356 456 HB THR 66 HB THR 66 27.500 11.477 -32.563 457 HG1 THR 66 HG1 THR 66 27.123 10.004 -34.183 458 1HG2 THR 66 1HG2 THR 66 26.748 10.107 -30.481 459 2HG2 THR 66 2HG2 THR 66 26.226 8.917 -31.673 460 3HG2 THR 66 3HG2 THR 66 27.919 9.409 -31.597 461 H PHE 67 H PHE 67 26.304 11.702 -29.616 462 HA PHE 67 HA PHE 67 27.476 14.358 -29.674 463 1HB PHE 67 1HB PHE 67 25.450 13.688 -27.538 464 2HB PHE 67 2HB PHE 67 26.241 15.233 -27.824 465 HD1 PHE 67 HD1 PHE 67 23.767 12.851 -29.181 466 HD2 PHE 67 HD2 PHE 67 25.353 16.797 -29.342 467 HE1 PHE 67 HE1 PHE 67 21.879 13.548 -30.596 468 HE2 PHE 67 HE2 PHE 67 23.467 17.501 -30.756 469 HZ PHE 67 HZ PHE 67 21.728 15.877 -31.385 470 H TYR 68 H TYR 68 29.438 14.092 -28.848 471 HA TYR 68 HA TYR 68 30.013 11.871 -27.088 472 1HB TYR 68 1HB TYR 68 31.681 13.944 -28.488 473 2HB TYR 68 2HB TYR 68 32.379 12.922 -27.237 474 HD1 TYR 68 HD1 TYR 68 30.117 12.392 -30.179 475 HD2 TYR 68 HD2 TYR 68 33.600 11.165 -28.069 476 HE1 TYR 68 HE1 TYR 68 30.495 10.620 -31.841 477 HE2 TYR 68 HE2 TYR 68 33.988 9.391 -29.720 478 HH TYR 68 HH TYR 68 32.238 9.224 -32.683 479 H SER 69 H SER 69 28.491 14.500 -26.367 480 HA SER 69 HA SER 69 29.313 14.574 -23.658 481 1HB SER 69 2HB SER 69 30.127 16.898 -23.564 482 2HB SER 69 1HB SER 69 30.023 17.004 -25.321 483 HG SER 69 HG SER 69 32.144 16.506 -24.572 484 H CYS 70 H CYS 70 28.261 16.639 -22.568 485 HA CYS 70 HA CYS 70 25.522 16.428 -22.800 486 1HB CYS 70 2HB CYS 70 25.399 18.450 -21.444 487 2HB CYS 70 1HB CYS 70 27.063 18.850 -21.846 488 H THR 71 H THR 71 24.123 18.548 -23.194 489 HA THR 71 HA THR 71 24.806 20.401 -25.148 490 HB THR 71 HB THR 71 25.132 18.471 -26.641 491 HG1 THR 71 HG1 THR 71 23.381 19.221 -28.205 492 1HG2 THR 71 1HG2 THR 71 22.249 17.920 -25.962 493 2HG2 THR 71 2HG2 THR 71 23.042 17.255 -27.390 494 3HG2 THR 71 3HG2 THR 71 23.632 16.842 -25.780 495 H THR 72 H THR 72 22.891 21.433 -26.181 496 HA THR 72 HA THR 72 20.474 21.056 -24.537 497 HB THR 72 HB THR 72 20.290 23.657 -25.377 498 HG1 THR 72 HG1 THR 72 22.550 23.444 -26.091 499 1HG2 THR 72 1HG2 THR 72 20.022 22.524 -23.074 500 2HG2 THR 72 2HG2 THR 72 21.713 22.963 -22.831 501 3HG2 THR 72 3HG2 THR 72 20.508 24.218 -23.122 502 H GLU 73 H GLU 73 20.562 19.588 -26.762 503 HA GLU 73 HA GLU 73 19.175 21.099 -28.861 504 1HB GLU 73 1HB GLU 73 20.637 18.477 -28.824 505 2HB GLU 73 2HB GLU 73 19.484 18.835 -30.103 506 1HG GLU 73 1HG GLU 73 21.757 20.673 -29.430 507 2HG GLU 73 2HG GLU 73 21.918 19.339 -30.573 508 H GLY 74 H GLY 74 18.289 19.641 -26.155 509 1HA GLY 74 1HA GLY 74 15.935 18.328 -27.361 510 2HA GLY 74 2HA GLY 74 16.617 17.887 -25.803 511 H ARG 75 H ARG 75 16.901 21.082 -25.724 512 HA ARG 75 HA ARG 75 14.132 21.586 -24.879 513 1HB ARG 75 1HB ARG 75 15.110 22.914 -22.951 514 2HB ARG 75 2HB ARG 75 15.220 21.168 -22.827 515 1HG ARG 75 1HG ARG 75 17.575 21.851 -24.072 516 2HG ARG 75 2HG ARG 75 17.322 23.170 -22.930 517 1HD ARG 75 1HD ARG 75 18.049 20.381 -22.450 518 2HD ARG 75 2HD ARG 75 18.310 21.807 -21.454 519 HE ARG 75 HE ARG 75 16.239 21.444 -20.416 520 1HH1 ARG 75 1HH1 ARG 75 16.907 19.017 -22.842 521 2HH1 ARG 75 2HH1 ARG 75 15.730 17.907 -22.229 522 1HH2 ARG 75 1HH2 ARG 75 14.688 19.981 -19.620 523 2HH2 ARG 75 2HH2 ARG 75 14.470 18.453 -20.405 524 H GLN 76 H GLN 76 13.679 23.929 -24.589 525 HA GLN 76 HA GLN 76 15.169 25.496 -26.587 526 1HB GLN 76 2HB GLN 76 13.199 26.517 -27.260 527 2HB GLN 76 1HB GLN 76 12.394 26.210 -25.728 528 1HG GLN 76 1HG GLN 76 13.041 24.129 -27.802 529 2HG GLN 76 2HG GLN 76 12.184 23.856 -26.286 530 2HE2 GLN 76 1HE2 GLN 76 12.031 25.392 -29.425 531 1HE2 GLN 76 2HE2 GLN 76 10.311 25.547 -29.480 532 H ASP 77 H ASP 77 15.477 25.139 -23.564 533 HA ASP 77 HA ASP 77 15.064 27.891 -22.673 534 1HB ASP 77 1HB ASP 77 16.135 26.710 -20.509 535 2HB ASP 77 2HB ASP 77 14.414 26.653 -20.877 536 H GLY 78 H GLY 78 17.699 25.516 -22.341 537 1HA GLY 78 1HA GLY 78 19.806 26.348 -23.554 538 2HA GLY 78 2HA GLY 78 19.596 27.764 -22.538 539 H HIS 79 H HIS 79 18.980 24.471 -21.474 540 HA HIS 79 HA HIS 79 21.266 24.737 -19.636 541 1HB HIS 79 1HB HIS 79 19.038 22.818 -19.105 542 2HB HIS 79 2HB HIS 79 20.084 23.663 -17.969 543 HD1 HIS 79 HD1 HIS 79 16.718 23.603 -18.908 544 HD2 HIS 79 HD2 HIS 79 19.436 26.680 -18.263 545 HE1 HIS 79 HE1 HIS 79 15.325 25.648 -18.461 546 HE2 HIS 79 HE2 HIS 79 16.991 27.484 -18.008 547 H LEU 80 H LEU 80 22.924 23.464 -20.069 548 HA LEU 80 HA LEU 80 22.901 21.451 -22.028 549 1HB LEU 80 1HB LEU 80 24.820 22.321 -19.919 550 2HB LEU 80 2HB LEU 80 25.098 20.783 -20.709 551 HG LEU 80 HG LEU 80 25.091 21.970 -22.906 552 1HD1 LEU 80 1HD1 LEU 80 23.778 23.917 -22.257 553 2HD1 LEU 80 2HD1 LEU 80 25.068 24.436 -21.171 554 3HD1 LEU 80 3HD1 LEU 80 25.342 24.400 -22.913 555 1HD2 LEU 80 1HD2 LEU 80 27.089 21.868 -20.921 556 2HD2 LEU 80 2HD2 LEU 80 27.295 21.971 -22.669 557 3HD2 LEU 80 3HD2 LEU 80 27.220 23.444 -21.702 558 H TRP 81 H TRP 81 22.965 19.199 -21.878 559 HA TRP 81 HA TRP 81 22.551 17.944 -19.293 560 1HB TRP 81 1HB TRP 81 20.483 16.804 -20.001 561 2HB TRP 81 2HB TRP 81 20.275 18.551 -19.926 562 HD1 TRP 81 HD1 TRP 81 19.826 19.836 -22.208 563 HE1 TRP 81 HE1 TRP 81 19.146 19.025 -24.554 564 HE3 TRP 81 HE3 TRP 81 20.803 14.847 -21.662 565 HZ2 TRP 81 HZ2 TRP 81 19.037 16.595 -25.984 566 HZ3 TRP 81 HZ3 TRP 81 20.384 13.347 -23.567 567 HH2 TRP 81 HH2 TRP 81 19.518 14.205 -25.682 568 H CYS 82 H CYS 82 22.346 15.529 -19.552 569 HA CYS 82 HA CYS 82 23.584 14.468 -21.965 570 1HB CYS 82 2HB CYS 82 25.368 15.111 -20.226 571 2HB CYS 82 1HB CYS 82 25.435 13.487 -20.902 572 H SER 83 H SER 83 23.643 12.036 -21.902 573 HA SER 83 HA SER 83 21.178 11.076 -20.633 574 1HB SER 83 2HB SER 83 21.451 10.880 -23.120 575 2HB SER 83 1HB SER 83 21.138 9.348 -22.310 576 HG SER 83 HG SER 83 23.796 9.920 -22.484 577 H THR 84 H THR 84 21.310 9.813 -18.902 578 HA THR 84 HA THR 84 23.862 8.709 -18.093 579 HB THR 84 HB THR 84 22.895 8.277 -15.989 580 HG1 THR 84 HG1 THR 84 20.995 7.218 -16.735 581 1HG2 THR 84 1HG2 THR 84 21.801 10.775 -17.239 582 2HG2 THR 84 2HG2 THR 84 21.471 10.386 -15.552 583 3HG2 THR 84 3HG2 THR 84 23.134 10.597 -16.099 584 H THR 85 H THR 85 21.849 7.685 -20.306 585 HA THR 85 HA THR 85 22.583 4.936 -20.028 586 HB THR 85 HB THR 85 19.865 5.805 -19.241 587 HG1 THR 85 HG1 THR 85 21.637 3.677 -18.662 588 1HG2 THR 85 1HG2 THR 85 19.410 4.690 -21.411 589 2HG2 THR 85 2HG2 THR 85 20.235 3.250 -20.811 590 3HG2 THR 85 3HG2 THR 85 18.753 3.806 -20.034 591 H SER 86 H SER 86 21.964 3.663 -21.921 592 HA SER 86 HA SER 86 22.399 4.966 -24.317 593 1HB SER 86 1HB SER 86 22.721 2.769 -24.734 594 2HB SER 86 2HB SER 86 21.559 2.273 -23.504 595 HG SER 86 HG SER 86 20.036 2.173 -24.973 596 H ASN 87 H ASN 87 19.282 3.488 -23.410 597 HA ASN 87 HA ASN 87 17.849 4.979 -25.375 598 1HB ASN 87 1HB ASN 87 17.341 2.770 -23.657 599 2HB ASN 87 2HB ASN 87 16.093 3.975 -23.353 600 2HD2 ASN 87 1HD2 ASN 87 15.653 1.450 -24.502 601 1HD2 ASN 87 2HD2 ASN 87 15.088 1.686 -26.118 602 H TYR 88 H TYR 88 18.211 7.168 -24.969 603 HA TYR 88 HA TYR 88 17.587 8.296 -22.391 604 1HB TYR 88 1HB TYR 88 19.308 9.462 -23.451 605 2HB TYR 88 2HB TYR 88 18.512 9.405 -25.020 606 HD1 TYR 88 HD1 TYR 88 17.334 10.576 -21.676 607 HD2 TYR 88 HD2 TYR 88 18.147 11.578 -25.729 608 HE1 TYR 88 HE1 TYR 88 16.427 12.826 -21.292 609 HE2 TYR 88 HE2 TYR 88 17.247 13.837 -25.357 610 HH TYR 88 HH TYR 88 15.507 14.865 -23.649 611 H GLU 89 H GLU 89 16.073 8.002 -25.533 612 HA GLU 89 HA GLU 89 13.855 9.700 -24.781 613 1HB GLU 89 1HB GLU 89 14.561 8.147 -27.254 614 2HB GLU 89 2HB GLU 89 12.971 8.873 -27.058 615 1HG GLU 89 1HG GLU 89 14.419 11.014 -26.507 616 2HG GLU 89 2HG GLU 89 15.611 10.155 -27.481 617 H GLN 90 H GLN 90 14.568 6.942 -23.549 618 HA GLN 90 HA GLN 90 11.811 5.924 -23.648 619 1HB GLN 90 1HB GLN 90 12.881 4.273 -24.878 620 2HB GLN 90 2HB GLN 90 14.376 4.417 -23.964 621 1HG GLN 90 1HG GLN 90 13.394 2.336 -23.403 622 2HG GLN 90 2HG GLN 90 13.193 3.405 -22.016 623 2HE2 GLN 90 1HE2 GLN 90 11.608 1.434 -21.813 624 1HE2 GLN 90 2HE2 GLN 90 9.991 1.770 -22.322 625 H ASP 91 H ASP 91 14.864 5.861 -21.844 626 HA ASP 91 HA ASP 91 13.502 5.151 -19.393 627 1HB ASP 91 1HB ASP 91 16.369 5.611 -20.156 628 2HB ASP 91 2HB ASP 91 15.901 5.531 -18.461 629 H GLN 92 H GLN 92 14.809 8.014 -20.911 630 HA GLN 92 HA GLN 92 14.728 10.219 -20.364 631 1HB GLN 92 1HB GLN 92 12.274 9.090 -19.559 632 2HB GLN 92 2HB GLN 92 12.766 10.169 -18.261 633 1HG GLN 92 1HG GLN 92 11.316 11.106 -20.152 634 2HG GLN 92 2HG GLN 92 12.712 12.042 -19.621 635 2HE2 GLN 92 1HE2 GLN 92 14.368 12.408 -21.012 636 1HE2 GLN 92 2HE2 GLN 92 14.356 11.927 -22.671 637 H LYS 93 H LYS 93 16.762 8.945 -19.139 638 HA LYS 93 HA LYS 93 16.764 10.042 -16.404 639 1HB LYS 93 1HB LYS 93 18.478 8.396 -15.841 640 2HB LYS 93 2HB LYS 93 17.030 7.603 -16.443 641 1HG LYS 93 1HG LYS 93 19.384 8.188 -18.209 642 2HG LYS 93 2HG LYS 93 19.260 6.714 -17.252 643 1HD LYS 93 1HD LYS 93 17.899 5.790 -18.743 644 2HD LYS 93 2HD LYS 93 16.798 7.162 -18.650 645 1HE LYS 93 1HE LYS 93 18.895 6.533 -20.633 646 2HE LYS 93 2HE LYS 93 17.341 7.331 -20.840 647 1HZ LYS 93 1HZ LYS 93 18.543 9.218 -19.511 648 2HZ LYS 93 2HZ LYS 93 19.937 8.480 -20.116 649 3HZ LYS 93 3HZ LYS 93 18.762 9.065 -21.180 650 H TYR 94 H TYR 94 17.214 11.903 -18.194 651 HA TYR 94 HA TYR 94 19.986 12.104 -18.941 652 1HB TYR 94 1HB TYR 94 19.400 14.117 -20.024 653 2HB TYR 94 2HB TYR 94 17.999 13.071 -20.225 654 HD1 TYR 94 HD1 TYR 94 19.311 15.694 -17.910 655 HD2 TYR 94 HD2 TYR 94 15.903 13.925 -19.744 656 HE1 TYR 94 HE1 TYR 94 17.881 17.428 -16.912 657 HE2 TYR 94 HE2 TYR 94 14.464 15.655 -18.751 658 HH TYR 94 HH TYR 94 14.597 17.199 -16.686 659 H SER 95 H SER 95 21.236 14.097 -18.378 660 HA SER 95 HA SER 95 20.686 15.122 -15.696 661 1HB SER 95 1HB SER 95 23.506 14.618 -15.922 662 2HB SER 95 2HB SER 95 22.372 14.025 -14.708 663 HG SER 95 HG SER 95 23.563 12.480 -16.220 664 H PHE 96 H PHE 96 21.191 17.226 -15.465 665 HA PHE 96 HA PHE 96 21.855 18.760 -17.744 666 1HB PHE 96 1HB PHE 96 21.635 19.438 -14.815 667 2HB PHE 96 2HB PHE 96 22.057 20.643 -16.027 668 HD1 PHE 96 HD1 PHE 96 20.343 20.011 -18.260 669 HD2 PHE 96 HD2 PHE 96 19.495 19.899 -14.091 670 HE1 PHE 96 HE1 PHE 96 17.957 20.369 -18.739 671 HE2 PHE 96 HE2 PHE 96 17.107 20.255 -14.563 672 HZ PHE 96 HZ PHE 96 16.335 20.490 -16.890 673 H CYS 97 H CYS 97 23.633 20.540 -17.483 674 HA CYS 97 HA CYS 97 26.072 19.586 -16.250 675 1HB CYS 97 1HB CYS 97 26.069 20.045 -19.231 676 2HB CYS 97 2HB CYS 97 27.369 19.393 -18.239 677 H THR 98 H THR 98 27.590 21.187 -15.936 678 HA THR 98 HA THR 98 26.624 23.867 -15.981 679 HB THR 98 HB THR 98 29.070 24.342 -15.264 680 HG1 THR 98 HG1 THR 98 30.156 22.478 -14.521 681 1HG2 THR 98 1HG2 THR 98 26.800 23.691 -13.878 682 2HG2 THR 98 2HG2 THR 98 27.962 22.519 -13.257 683 3HG2 THR 98 3HG2 THR 98 28.307 24.245 -13.150 684 H ASP 99 H ASP 99 28.374 25.596 -16.704 685 HA ASP 99 HA ASP 99 30.097 25.380 -18.769 686 1HB ASP 99 1HB ASP 99 27.458 24.683 -19.681 687 2HB ASP 99 2HB ASP 99 28.004 26.140 -20.506 688 H HIS 100 H HIS 100 27.245 27.132 -17.686 689 HA HIS 100 HA HIS 100 26.767 29.359 -17.545 690 1HB HIS 100 1HB HIS 100 29.694 29.262 -16.827 691 2HB HIS 100 2HB HIS 100 28.748 30.743 -16.715 692 HD1 HIS 100 HD1 HIS 100 27.356 27.390 -15.740 693 HD2 HIS 100 HD2 HIS 100 28.783 30.855 -13.946 694 HE1 HIS 100 HE1 HIS 100 26.773 27.174 -13.303 695 HE2 HIS 100 HE2 HIS 100 27.736 29.236 -12.222 696 H THR 101 H THR 101 30.020 30.141 -18.557 697 HA THR 101 HA THR 101 28.984 31.723 -20.739 698 HB THR 101 HB THR 101 31.469 32.212 -21.115 699 HG1 THR 101 HG1 THR 101 31.847 30.207 -19.594 700 1HG2 THR 101 1HG2 THR 101 29.868 33.677 -19.872 701 2HG2 THR 101 2HG2 THR 101 30.381 32.884 -18.382 702 3HG2 THR 101 3HG2 THR 101 31.540 33.815 -19.330 No H/Q in entry = 702 Start of MODEL 12 1 H1 TYR 1 H1 TYR 1 52.036 3.734 -42.665 2 H2 TYR 1 H2 TYR 1 53.018 4.967 -42.050 3 H3 TYR 1 H3 TYR 1 53.317 3.356 -41.625 4 HA TYR 1 HA TYR 1 51.518 3.218 -40.222 5 1HB TYR 1 1HB TYR 1 52.283 6.132 -39.998 6 2HB TYR 1 2HB TYR 1 51.792 5.046 -38.703 7 HD1 TYR 1 HD1 TYR 1 53.356 2.895 -38.462 8 HD2 TYR 1 HD2 TYR 1 54.533 6.588 -40.217 9 HE1 TYR 1 HE1 TYR 1 55.712 2.347 -38.023 10 HE2 TYR 1 HE2 TYR 1 56.892 6.049 -39.784 11 HH TYR 1 HH TYR 1 57.943 3.938 -37.693 12 H GLY 2 H GLY 2 49.457 2.959 -40.873 13 1HA GLY 2 1HA GLY 2 48.014 5.366 -41.801 14 2HA GLY 2 2HA GLY 2 47.638 3.735 -42.337 15 H HIS 3 H HIS 3 46.948 2.202 -40.580 16 HA HIS 3 HA HIS 3 44.660 3.088 -39.325 17 1HB HIS 3 1HB HIS 3 46.438 0.715 -38.941 18 2HB HIS 3 2HB HIS 3 45.144 1.003 -37.785 19 HD1 HIS 3 HD1 HIS 3 45.357 0.998 -41.594 20 HD2 HIS 3 HD2 HIS 3 42.962 -0.405 -38.502 21 HE1 HIS 3 HE1 HIS 3 43.478 -0.248 -42.710 22 HE2 HIS 3 HE2 HIS 3 42.110 -1.186 -40.814 23 H CYS 4 H CYS 4 44.128 3.462 -37.118 24 HA CYS 4 HA CYS 4 46.350 4.650 -35.594 25 1HB CYS 4 1HB CYS 4 44.166 5.652 -34.363 26 2HB CYS 4 2HB CYS 4 44.943 6.428 -35.732 27 H VAL 5 H VAL 5 46.804 3.955 -33.565 28 HA VAL 5 HA VAL 5 44.959 2.024 -32.328 29 HB VAL 5 HB VAL 5 47.962 1.699 -32.375 30 1HG1 VAL 5 1HG1 VAL 5 45.951 0.612 -30.708 31 2HG1 VAL 5 2HG1 VAL 5 46.521 -0.681 -31.764 32 3HG1 VAL 5 3HG1 VAL 5 47.668 0.207 -30.759 33 1HG2 VAL 5 1HG2 VAL 5 45.813 0.603 -34.131 34 2HG2 VAL 5 2HG2 VAL 5 47.431 1.166 -34.549 35 3HG2 VAL 5 3HG2 VAL 5 47.218 -0.395 -33.758 36 H THR 6 H THR 6 44.524 2.445 -30.255 37 HA THR 6 HA THR 6 45.438 4.753 -28.962 38 HB THR 6 HB THR 6 44.396 3.812 -26.911 39 HG1 THR 6 HG1 THR 6 44.287 1.510 -28.554 40 1HG2 THR 6 1HG2 THR 6 43.059 4.110 -29.512 41 2HG2 THR 6 2HG2 THR 6 42.128 3.230 -28.298 42 3HG2 THR 6 3HG2 THR 6 42.699 4.863 -27.958 43 H ASP 7 H ASP 7 46.353 1.352 -28.508 44 HA ASP 7 HA ASP 7 49.028 1.921 -27.892 45 1HB ASP 7 1HB ASP 7 47.319 2.414 -25.723 46 2HB ASP 7 2HB ASP 7 48.074 0.861 -25.374 47 H SER 8 H SER 8 46.294 -0.248 -27.544 48 HA SER 8 HA SER 8 47.250 -2.386 -28.888 49 1HB SER 8 1HB SER 8 49.153 -2.772 -27.599 50 2HB SER 8 2HB SER 8 48.342 -2.341 -26.093 51 HG SER 8 HG SER 8 48.501 -4.532 -26.085 52 H GLY 9 H GLY 9 44.817 -1.709 -28.830 53 1HA GLY 9 1HA GLY 9 43.408 -3.901 -27.646 54 2HA GLY 9 2HA GLY 9 43.053 -2.383 -26.838 55 H VAL 10 H VAL 10 43.236 -0.742 -29.187 56 HA VAL 10 HA VAL 10 41.003 -1.749 -30.814 57 HB VAL 10 HB VAL 10 41.125 1.130 -29.961 58 1HG1 VAL 10 1HG1 VAL 10 39.522 -0.373 -31.741 59 2HG1 VAL 10 2HG1 VAL 10 38.506 0.091 -30.377 60 3HG1 VAL 10 3HG1 VAL 10 39.365 1.326 -31.297 61 1HG2 VAL 10 1HG2 VAL 10 40.987 -0.526 -28.001 62 2HG2 VAL 10 2HG2 VAL 10 39.774 0.751 -28.096 63 3HG2 VAL 10 3HG2 VAL 10 39.370 -0.888 -28.606 64 H VAL 11 H VAL 11 41.963 -2.002 -32.739 65 HA VAL 11 HA VAL 11 43.949 -0.124 -33.690 66 HB VAL 11 HB VAL 11 42.757 -2.440 -35.210 67 1HG1 VAL 11 1HG1 VAL 11 44.695 -0.426 -35.823 68 2HG1 VAL 11 2HG1 VAL 11 45.470 -2.012 -35.822 69 3HG1 VAL 11 3HG1 VAL 11 44.066 -1.715 -36.850 70 1HG2 VAL 11 1HG2 VAL 11 44.644 -2.397 -32.959 71 2HG2 VAL 11 2HG2 VAL 11 43.640 -3.710 -33.576 72 3HG2 VAL 11 3HG2 VAL 11 45.175 -3.332 -34.357 73 H TYR 12 H TYR 12 42.543 1.732 -33.765 74 HA TYR 12 HA TYR 12 40.245 1.903 -35.382 75 1HB TYR 12 1HB TYR 12 42.192 4.011 -34.438 76 2HB TYR 12 2HB TYR 12 40.697 4.386 -35.290 77 HD1 TYR 12 HD1 TYR 12 38.520 3.417 -34.217 78 HD2 TYR 12 HD2 TYR 12 42.199 3.914 -32.142 79 HE1 TYR 12 HE1 TYR 12 37.307 3.383 -32.076 80 HE2 TYR 12 HE2 TYR 12 40.999 3.881 -29.993 81 HH TYR 12 HH TYR 12 38.897 3.085 -29.069 82 H SER 13 H SER 13 40.512 3.968 -37.091 83 HA SER 13 HA SER 13 42.695 3.387 -38.930 84 1HB SER 13 1HB SER 13 39.772 3.037 -39.592 85 2HB SER 13 2HB SER 13 40.998 3.284 -40.834 86 HG SER 13 HG SER 13 41.359 1.230 -40.681 87 H VAL 14 H VAL 14 43.270 5.101 -40.204 88 HA VAL 14 HA VAL 14 43.102 7.635 -39.441 89 HB VAL 14 HB VAL 14 44.446 7.129 -41.335 90 1HG1 VAL 14 1HG1 VAL 14 42.937 5.379 -42.258 91 2HG1 VAL 14 2HG1 VAL 14 41.936 6.663 -42.938 92 3HG1 VAL 14 3HG1 VAL 14 43.603 6.463 -43.479 93 1HG2 VAL 14 1HG2 VAL 14 42.636 9.321 -41.314 94 2HG2 VAL 14 2HG2 VAL 14 44.266 9.245 -41.982 95 3HG2 VAL 14 3HG2 VAL 14 42.882 8.820 -42.987 96 H GLY 15 H GLY 15 41.124 8.154 -38.471 97 1HA GLY 15 1HA GLY 15 39.339 9.744 -38.902 98 2HA GLY 15 2HA GLY 15 39.021 8.891 -40.401 99 H MET 16 H MET 16 39.487 7.628 -37.116 100 HA MET 16 HA MET 16 36.732 6.591 -37.234 101 1HB MET 16 1HB MET 16 39.275 5.212 -36.448 102 2HB MET 16 2HB MET 16 37.744 4.696 -35.754 103 1HG MET 16 1HG MET 16 37.758 4.988 -38.675 104 2HG MET 16 2HG MET 16 38.798 3.718 -38.037 105 1HE MET 16 1HE MET 16 37.812 2.498 -35.805 106 2HE MET 16 2HE MET 16 36.336 1.549 -35.987 107 3HE MET 16 3HE MET 16 37.697 1.280 -37.076 108 H GLN 17 H GLN 17 37.024 8.978 -36.094 109 HA GLN 17 HA GLN 17 37.823 9.509 -33.618 110 1HB GLN 17 1HB GLN 17 35.061 10.008 -34.730 111 2HB GLN 17 2HB GLN 17 35.630 10.712 -33.223 112 1HG GLN 17 1HG GLN 17 37.437 11.833 -34.429 113 2HG GLN 17 2HG GLN 17 36.859 11.131 -35.939 114 2HE2 GLN 17 1HE2 GLN 17 36.392 13.565 -33.553 115 1HE2 GLN 17 2HE2 GLN 17 35.117 14.413 -34.351 116 H TRP 18 H TRP 18 37.560 8.832 -31.565 117 HA TRP 18 HA TRP 18 35.315 7.086 -30.901 118 1HB TRP 18 2HB TRP 18 37.248 5.653 -31.639 119 2HB TRP 18 1HB TRP 18 36.682 5.341 -30.001 120 HD1 TRP 18 HD1 TRP 18 38.293 6.081 -27.977 121 HE1 TRP 18 HE1 TRP 18 40.827 6.525 -27.895 122 HE3 TRP 18 HE3 TRP 18 39.200 6.572 -32.986 123 HZ2 TRP 18 HZ2 TRP 18 42.933 7.021 -29.715 124 HZ3 TRP 18 HZ3 TRP 18 41.496 7.029 -33.731 125 HH2 TRP 18 HH2 TRP 18 43.323 7.245 -32.127 126 H LEU 19 H LEU 19 35.846 6.345 -28.417 127 HA LEU 19 HA LEU 19 36.547 8.798 -26.951 128 1HB LEU 19 1HB LEU 19 34.039 8.292 -27.171 129 2HB LEU 19 2HB LEU 19 34.341 6.943 -26.094 130 HG LEU 19 HG LEU 19 35.355 8.720 -24.506 131 1HD1 LEU 19 1HD1 LEU 19 35.160 10.455 -26.431 132 2HD1 LEU 19 2HD1 LEU 19 33.481 10.579 -25.906 133 3HD1 LEU 19 3HD1 LEU 19 34.786 10.941 -24.777 134 1HD2 LEU 19 1HD2 LEU 19 32.857 7.563 -24.758 135 2HD2 LEU 19 2HD2 LEU 19 33.480 8.416 -23.346 136 3HD2 LEU 19 3HD2 LEU 19 32.511 9.279 -24.541 137 H LYS 20 H LYS 20 38.108 8.471 -25.520 138 HA LYS 20 HA LYS 20 38.683 5.725 -24.660 139 1HB LYS 20 1HB LYS 20 40.331 7.788 -25.601 140 2HB LYS 20 2HB LYS 20 40.675 7.670 -23.881 141 1HG LYS 20 1HG LYS 20 40.647 5.242 -25.635 142 2HG LYS 20 2HG LYS 20 42.077 6.267 -25.491 143 1HD LYS 20 2HD LYS 20 42.321 4.505 -23.911 144 2HD LYS 20 1HD LYS 20 40.674 4.728 -23.315 145 1HE LYS 20 1HE LYS 20 42.421 7.095 -23.167 146 2HE LYS 20 2HE LYS 20 41.239 6.486 -22.012 147 1HZ LYS 20 1HZ LYS 20 43.904 5.258 -22.460 148 2HZ LYS 20 2HZ LYS 20 43.569 6.370 -21.230 149 3HZ LYS 20 3HZ LYS 20 42.793 4.866 -21.246 150 H THR 21 H THR 21 39.083 5.237 -22.477 151 HA THR 21 HA THR 21 38.122 7.248 -20.549 152 HB THR 21 HB THR 21 37.578 4.790 -19.378 153 HG1 THR 21 HG1 THR 21 36.159 3.920 -21.140 154 1HG2 THR 21 1HG2 THR 21 36.198 7.143 -20.194 155 2HG2 THR 21 2HG2 THR 21 35.216 5.745 -20.633 156 3HG2 THR 21 3HG2 THR 21 35.734 5.969 -18.962 157 H GLN 22 H GLN 22 38.836 6.811 -18.295 158 HA GLN 22 HA GLN 22 41.505 5.562 -18.259 159 1HB GLN 22 2HB GLN 22 42.302 7.272 -16.806 160 2HB GLN 22 1HB GLN 22 40.682 7.907 -16.552 161 1HG GLN 22 1HG GLN 22 41.365 7.933 -19.348 162 2HG GLN 22 2HG GLN 22 40.853 9.255 -18.299 163 2HE2 GLN 22 1HE2 GLN 22 43.582 7.469 -19.540 164 1HE2 GLN 22 2HE2 GLN 22 44.783 8.648 -19.151 165 H GLY 23 H GLY 23 39.109 4.186 -17.634 166 1HA GLY 23 1HA GLY 23 38.209 2.832 -16.012 167 2HA GLY 23 2HA GLY 23 39.791 2.927 -15.252 168 H ASN 24 H ASN 24 38.142 5.898 -15.704 169 HA ASN 24 HA ASN 24 36.589 5.940 -13.345 170 1HB ASN 24 1HB ASN 24 38.816 5.829 -12.273 171 2HB ASN 24 2HB ASN 24 39.289 7.293 -13.131 172 2HD2 ASN 24 1HD2 ASN 24 38.249 6.153 -10.262 173 1HD2 ASN 24 2HD2 ASN 24 37.509 7.577 -9.622 174 H LYS 25 H LYS 25 38.498 7.744 -15.684 175 HA LYS 25 HA LYS 25 36.436 9.850 -15.652 176 1HB LYS 25 1HB LYS 25 39.405 9.999 -16.073 177 2HB LYS 25 2HB LYS 25 38.347 11.238 -16.734 178 1HG LYS 25 1HG LYS 25 38.253 12.257 -14.774 179 2HG LYS 25 2HG LYS 25 37.669 10.784 -13.997 180 1HD LYS 25 1HD LYS 25 39.633 10.477 -13.001 181 2HD LYS 25 2HD LYS 25 40.472 10.546 -14.552 182 1HE LYS 25 1HE LYS 25 39.605 12.987 -13.018 183 2HE LYS 25 2HE LYS 25 41.199 12.252 -12.855 184 1HZ LYS 25 1HZ LYS 25 40.437 12.747 -15.582 185 2HZ LYS 25 2HZ LYS 25 40.531 14.158 -14.653 186 3HZ LYS 25 3HZ LYS 25 41.871 13.133 -14.775 187 H GLN 26 H GLN 26 36.918 11.159 -17.945 188 HA GLN 26 HA GLN 26 36.653 9.098 -20.035 189 1HB GLN 26 1HB GLN 26 35.081 11.634 -19.620 190 2HB GLN 26 2HB GLN 26 35.124 10.805 -21.170 191 1HG GLN 26 1HG GLN 26 33.144 10.223 -19.866 192 2HG GLN 26 2HG GLN 26 34.167 8.822 -20.176 193 2HE2 GLN 26 1HE2 GLN 26 33.451 11.289 -17.752 194 1HE2 GLN 26 2HE2 GLN 26 33.779 10.292 -16.380 195 H MET 27 H MET 27 36.959 10.070 -22.280 196 HA MET 27 HA MET 27 38.428 12.403 -22.732 197 1HB MET 27 1HB MET 27 40.014 10.670 -21.382 198 2HB MET 27 2HB MET 27 40.355 10.178 -23.036 199 1HG MET 27 1HG MET 27 40.481 12.950 -23.092 200 2HG MET 27 2HG MET 27 41.253 12.495 -21.574 201 1HE MET 27 1HE MET 27 43.515 12.000 -21.339 202 2HE MET 27 2HE MET 27 44.697 11.942 -22.646 203 3HE MET 27 3HE MET 27 43.743 13.402 -22.383 204 H LEU 28 H LEU 28 37.788 12.771 -24.758 205 HA LEU 28 HA LEU 28 37.229 10.568 -26.560 206 1HB LEU 28 1HB LEU 28 35.724 12.514 -26.440 207 2HB LEU 28 2HB LEU 28 37.029 13.554 -26.977 208 HG LEU 28 HG LEU 28 36.650 11.395 -28.849 209 1HD1 LEU 28 1HD1 LEU 28 34.301 11.764 -27.721 210 2HD1 LEU 28 2HD1 LEU 28 34.267 13.172 -28.781 211 3HD1 LEU 28 3HD1 LEU 28 34.457 11.557 -29.466 212 1HD2 LEU 28 1HD2 LEU 28 36.926 14.316 -28.790 213 2HD2 LEU 28 2HD2 LEU 28 37.630 13.128 -29.887 214 3HD2 LEU 28 3HD2 LEU 28 35.976 13.688 -30.136 215 H CYS 29 H CYS 29 38.608 9.805 -28.046 216 HA CYS 29 HA CYS 29 40.885 11.509 -28.796 217 1HB CYS 29 1HB CYS 29 41.333 9.516 -27.194 218 2HB CYS 29 2HB CYS 29 41.154 8.531 -28.641 219 H THR 30 H THR 30 41.584 11.472 -30.865 220 HA THR 30 HA THR 30 40.178 9.732 -32.772 221 HB THR 30 HB THR 30 40.401 12.732 -33.067 222 HG1 THR 30 HG1 THR 30 38.661 12.127 -31.745 223 1HG2 THR 30 1HG2 THR 30 39.279 10.660 -34.960 224 2HG2 THR 30 2HG2 THR 30 39.172 12.407 -35.175 225 3HG2 THR 30 3HG2 THR 30 40.745 11.608 -35.206 226 H CYS 31 H CYS 31 41.200 9.535 -34.831 227 HA CYS 31 HA CYS 31 44.066 10.211 -34.769 228 1HB CYS 31 1HB CYS 31 44.391 8.218 -36.232 229 2HB CYS 31 2HB CYS 31 43.774 7.817 -34.635 230 H LEU 32 H LEU 32 44.216 12.015 -35.969 231 HA LEU 32 HA LEU 32 42.613 12.418 -38.323 232 1HB LEU 32 1HB LEU 32 44.298 14.433 -38.514 233 2HB LEU 32 2HB LEU 32 42.993 14.440 -37.343 234 HG LEU 32 HG LEU 32 45.496 13.277 -36.340 235 1HD1 LEU 32 1HD1 LEU 32 45.482 15.895 -37.646 236 2HD1 LEU 32 2HD1 LEU 32 46.102 15.898 -35.996 237 3HD1 LEU 32 3HD1 LEU 32 46.829 14.843 -37.208 238 1HD2 LEU 32 1HD2 LEU 32 43.418 13.799 -35.024 239 2HD2 LEU 32 2HD2 LEU 32 44.910 14.478 -34.374 240 3HD2 LEU 32 3HD2 LEU 32 43.787 15.508 -35.260 241 H GLY 33 H GLY 33 45.977 13.319 -38.473 242 1HA GLY 33 1HA GLY 33 46.479 11.194 -40.442 243 2HA GLY 33 2HA GLY 33 46.732 12.870 -40.900 244 H ASN 34 H ASN 34 47.864 13.827 -38.530 245 HA ASN 34 HA ASN 34 50.561 13.001 -38.882 246 1HB ASN 34 1HB ASN 34 51.135 14.734 -37.439 247 2HB ASN 34 2HB ASN 34 49.604 15.301 -38.096 248 2HD2 ASN 34 1HD2 ASN 34 51.271 15.297 -35.398 249 1HD2 ASN 34 2HD2 ASN 34 50.015 15.164 -34.218 250 H GLY 35 H GLY 35 48.051 12.296 -36.542 251 1HA GLY 35 1HA GLY 35 49.222 9.856 -35.758 252 2HA GLY 35 2HA GLY 35 49.591 11.078 -34.551 253 H VAL 36 H VAL 36 48.171 11.334 -32.962 254 HA VAL 36 HA VAL 36 45.340 10.922 -33.428 255 HB VAL 36 HB VAL 36 47.008 9.027 -31.858 256 1HG1 VAL 36 1HG1 VAL 36 45.687 10.093 -30.087 257 2HG1 VAL 36 2HG1 VAL 36 44.212 9.744 -30.988 258 3HG1 VAL 36 3HG1 VAL 36 45.194 8.421 -30.359 259 1HG2 VAL 36 1HG2 VAL 36 45.727 8.665 -34.067 260 2HG2 VAL 36 2HG2 VAL 36 45.660 7.418 -32.819 261 3HG2 VAL 36 3HG2 VAL 36 44.310 8.533 -33.027 262 H SER 37 H SER 37 44.156 12.314 -32.282 263 HA SER 37 HA SER 37 45.396 13.614 -29.949 264 1HB SER 37 1HB SER 37 45.425 15.165 -31.839 265 2HB SER 37 2HB SER 37 43.695 14.923 -32.085 266 HG SER 37 HG SER 37 43.308 15.900 -30.105 267 H CYS 38 H CYS 38 44.084 14.029 -28.201 268 HA CYS 38 HA CYS 38 41.253 13.280 -28.406 269 1HB CYS 38 1HB CYS 38 42.364 12.439 -25.879 270 2HB CYS 38 2HB CYS 38 41.433 11.512 -27.032 271 H GLN 39 H GLN 39 40.004 13.948 -26.456 272 HA GLN 39 HA GLN 39 41.095 16.449 -25.342 273 1HB GLN 39 1HB GLN 39 39.332 17.084 -26.774 274 2HB GLN 39 2HB GLN 39 38.320 15.742 -26.261 275 1HG GLN 39 2HG GLN 39 38.221 16.825 -23.995 276 2HG GLN 39 1HG GLN 39 37.396 17.677 -25.298 277 2HE2 GLN 39 1HE2 GLN 39 38.843 19.311 -26.446 278 1HE2 GLN 39 2HE2 GLN 39 39.796 20.326 -25.423 279 H GLU 40 H GLU 40 41.412 16.416 -23.224 280 HA GLU 40 HA GLU 40 40.629 14.253 -21.585 281 1HB GLU 40 1HB GLU 40 41.528 15.612 -19.724 282 2HB GLU 40 2HB GLU 40 42.634 15.512 -21.086 283 1HG GLU 40 1HG GLU 40 42.796 17.717 -20.969 284 2HG GLU 40 2HG GLU 40 41.153 17.785 -21.607 285 H THR 41 H THR 41 38.855 13.907 -20.417 286 HA THR 41 HA THR 41 36.951 14.312 -19.203 287 HB THR 41 HB THR 41 37.205 17.241 -19.882 288 HG1 THR 41 HG1 THR 41 38.658 17.430 -18.324 289 1HG2 THR 41 1HG2 THR 41 35.042 16.364 -18.950 290 2HG2 THR 41 2HG2 THR 41 35.932 15.901 -17.499 291 3HG2 THR 41 3HG2 THR 41 35.825 17.599 -17.963 292 H ALA 42 H ALA 42 37.150 16.452 -22.053 293 HA ALA 42 HA ALA 42 35.800 16.676 -23.874 294 1HB ALA 42 3HB ALA 42 35.473 14.672 -24.768 295 2HB ALA 42 2HB ALA 42 34.069 14.447 -23.726 296 3HB ALA 42 1HB ALA 42 35.661 13.914 -23.187 297 H VAL 43 H VAL 43 33.688 15.017 -21.528 298 HA VAL 43 HA VAL 43 31.457 16.675 -22.089 299 HB VAL 43 HB VAL 43 30.306 15.525 -20.382 300 1HG1 VAL 43 1HG1 VAL 43 31.161 14.170 -22.364 301 2HG1 VAL 43 2HG1 VAL 43 32.335 13.482 -21.242 302 3HG1 VAL 43 3HG1 VAL 43 30.608 13.266 -20.955 303 1HG2 VAL 43 1HG2 VAL 43 33.006 14.815 -19.240 304 2HG2 VAL 43 2HG2 VAL 43 31.800 15.889 -18.532 305 3HG2 VAL 43 3HG2 VAL 43 31.473 14.161 -18.664 306 H THR 44 H THR 44 30.299 17.786 -20.153 307 HA THR 44 HA THR 44 32.210 19.262 -18.493 308 HB THR 44 HB THR 44 30.043 20.633 -20.094 309 HG1 THR 44 HG1 THR 44 32.872 20.597 -20.476 310 1HG2 THR 44 1HG2 THR 44 32.061 21.541 -18.084 311 2HG2 THR 44 2HG2 THR 44 31.553 22.639 -19.367 312 3HG2 THR 44 3HG2 THR 44 30.362 21.983 -18.244 313 H GLN 45 H GLN 45 31.117 20.528 -16.773 314 HA GLN 45 HA GLN 45 29.523 18.995 -15.163 315 1HB GLN 45 1HB GLN 45 29.810 21.990 -15.324 316 2HB GLN 45 2HB GLN 45 28.860 21.206 -14.069 317 1HG GLN 45 1HG GLN 45 31.811 20.977 -14.562 318 2HG GLN 45 2HG GLN 45 30.992 21.651 -13.154 319 2HE2 GLN 45 1HE2 GLN 45 29.227 19.863 -12.396 320 1HE2 GLN 45 2HE2 GLN 45 29.955 18.339 -12.034 321 H THR 46 H THR 46 27.275 19.413 -14.420 322 HA THR 46 HA THR 46 25.506 20.285 -16.598 323 HB THR 46 HB THR 46 23.962 18.405 -16.041 324 HG1 THR 46 HG1 THR 46 25.142 16.590 -14.951 325 1HG2 THR 46 1HG2 THR 46 26.218 18.399 -17.663 326 2HG2 THR 46 2HG2 THR 46 26.301 16.866 -16.797 327 3HG2 THR 46 3HG2 THR 46 24.867 17.269 -17.742 328 H TYR 47 H TYR 47 23.942 21.625 -15.959 329 HA TYR 47 HA TYR 47 23.114 21.618 -13.144 330 1HB TYR 47 1HB TYR 47 23.136 24.120 -13.177 331 2HB TYR 47 2HB TYR 47 24.737 23.395 -13.281 332 HD1 TYR 47 HD1 TYR 47 22.030 24.833 -15.395 333 HD2 TYR 47 HD2 TYR 47 26.187 24.012 -15.002 334 HE1 TYR 47 HE1 TYR 47 22.473 26.122 -17.442 335 HE2 TYR 47 HE2 TYR 47 26.639 25.298 -17.045 336 HH TYR 47 HH TYR 47 24.634 25.967 -19.281 337 H GLY 48 H GLY 48 21.006 22.366 -12.755 338 1HA GLY 48 1HA GLY 48 18.765 22.490 -13.247 339 2HA GLY 48 2HA GLY 48 19.276 23.612 -14.498 340 H GLY 49 H GLY 49 17.910 23.033 -16.113 341 1HA GLY 49 1HA GLY 49 17.427 21.838 -18.044 342 2HA GLY 49 2HA GLY 49 18.511 20.568 -17.495 343 H ASN 50 H ASN 50 17.486 18.706 -17.247 344 HA ASN 50 HA ASN 50 14.710 18.757 -16.263 345 1HB ASN 50 1HB ASN 50 15.344 17.814 -18.634 346 2HB ASN 50 2HB ASN 50 15.846 16.398 -17.716 347 2HD2 ASN 50 1HD2 ASN 50 13.814 16.313 -19.585 348 1HD2 ASN 50 2HD2 ASN 50 12.316 16.015 -18.778 349 H SER 51 H SER 51 17.896 17.429 -15.857 350 HA SER 51 HA SER 51 16.962 15.692 -13.687 351 1HB SER 51 1HB SER 51 18.784 15.208 -15.676 352 2HB SER 51 2HB SER 51 19.830 15.663 -14.331 353 HG SER 51 HG SER 51 17.850 13.970 -13.558 354 H ASN 52 H ASN 52 17.998 18.786 -14.085 355 HA ASN 52 HA ASN 52 18.663 20.406 -12.641 356 1HB ASN 52 1HB ASN 52 17.155 19.460 -11.015 357 2HB ASN 52 2HB ASN 52 18.311 18.195 -10.614 358 2HD2 ASN 52 1HD2 ASN 52 18.729 21.677 -11.065 359 1HD2 ASN 52 2HD2 ASN 52 19.369 21.982 -9.489 360 H GLY 53 H GLY 53 20.470 17.954 -13.626 361 1HA GLY 53 1HA GLY 53 22.875 18.561 -13.832 362 2HA GLY 53 2HA GLY 53 22.840 18.846 -12.100 363 H GLU 54 H GLU 54 22.159 16.272 -14.467 364 HA GLU 54 HA GLU 54 23.252 14.342 -12.528 365 1HB GLU 54 1HB GLU 54 20.982 14.202 -14.428 366 2HB GLU 54 2HB GLU 54 21.933 12.739 -14.209 367 1HG GLU 54 1HG GLU 54 20.728 14.299 -11.942 368 2HG GLU 54 2HG GLU 54 19.940 12.938 -12.730 369 HA PRO 55 HA PRO 55 26.444 13.156 -15.318 370 1HB PRO 55 1HB PRO 55 26.386 10.436 -15.278 371 2HB PRO 55 2HB PRO 55 26.984 11.407 -13.928 372 1HG PRO 55 2HG PRO 55 25.327 10.186 -12.846 373 2HG PRO 55 1HG PRO 55 24.307 10.119 -14.294 374 1HD PRO 55 1HD PRO 55 23.205 11.820 -13.193 375 2HD PRO 55 2HD PRO 55 24.665 12.335 -12.324 376 H CYS 56 H CYS 56 26.419 13.380 -17.456 377 HA CYS 56 HA CYS 56 24.231 12.775 -19.095 378 1HB CYS 56 2HB CYS 56 25.614 13.397 -20.945 379 2HB CYS 56 1HB CYS 56 27.084 13.080 -20.029 380 H VAL 57 H VAL 57 25.090 11.511 -21.334 381 HA VAL 57 HA VAL 57 26.191 8.923 -20.621 382 HB VAL 57 HB VAL 57 23.781 8.715 -20.075 383 1HG1 VAL 57 1HG1 VAL 57 23.251 10.320 -22.113 384 2HG1 VAL 57 2HG1 VAL 57 23.067 8.781 -22.955 385 3HG1 VAL 57 3HG1 VAL 57 22.084 9.132 -21.534 386 1HG2 VAL 57 1HG2 VAL 57 25.297 7.055 -21.903 387 2HG2 VAL 57 2HG2 VAL 57 24.283 6.593 -20.537 388 3HG2 VAL 57 3HG2 VAL 57 23.559 6.859 -22.123 389 H LEU 58 H LEU 58 27.503 10.519 -22.215 390 HA LEU 58 HA LEU 58 26.777 9.842 -24.981 391 1HB LEU 58 1HB LEU 58 28.882 11.513 -25.265 392 2HB LEU 58 2HB LEU 58 27.209 12.031 -25.230 393 HG LEU 58 HG LEU 58 28.679 13.423 -23.824 394 1HD1 LEU 58 1HD1 LEU 58 26.182 12.389 -23.209 395 2HD1 LEU 58 2HD1 LEU 58 27.097 12.263 -21.708 396 3HD1 LEU 58 3HD1 LEU 58 26.936 13.823 -22.514 397 1HD2 LEU 58 1HD2 LEU 58 29.412 10.793 -22.750 398 2HD2 LEU 58 2HD2 LEU 58 30.329 12.298 -22.798 399 3HD2 LEU 58 3HD2 LEU 58 29.127 12.038 -21.533 400 HA PRO 59 HA PRO 59 28.487 10.611 -26.838 401 1HB PRO 59 1HB PRO 59 28.848 8.928 -28.940 402 2HB PRO 59 2HB PRO 59 30.150 9.902 -28.251 403 1HG PRO 59 2HG PRO 59 31.075 7.777 -28.045 404 2HG PRO 59 1HG PRO 59 29.492 7.018 -27.787 405 1HD PRO 59 1HD PRO 59 30.185 7.096 -25.588 406 2HD PRO 59 2HD PRO 59 31.218 8.513 -25.862 407 H PHE 60 H PHE 60 26.394 10.869 -27.284 408 HA PHE 60 HA PHE 60 24.677 8.479 -27.367 409 1HB PHE 60 1HB PHE 60 22.822 10.140 -26.887 410 2HB PHE 60 2HB PHE 60 23.982 9.892 -25.586 411 HD1 PHE 60 HD1 PHE 60 23.731 12.066 -28.614 412 HD2 PHE 60 HD2 PHE 60 24.540 11.792 -24.445 413 HE1 PHE 60 HE1 PHE 60 24.156 14.489 -28.538 414 HE2 PHE 60 HE2 PHE 60 24.966 14.214 -24.365 415 HZ PHE 60 HZ PHE 60 24.773 15.563 -26.415 416 H THR 61 H THR 61 22.508 9.180 -28.628 417 HA THR 61 HA THR 61 23.380 10.251 -31.232 418 HB THR 61 HB THR 61 21.095 8.374 -31.231 419 HG1 THR 61 HG1 THR 61 23.769 7.474 -30.800 420 1HG2 THR 61 1HG2 THR 61 22.040 9.387 -33.276 421 2HG2 THR 61 2HG2 THR 61 23.574 8.580 -32.944 422 3HG2 THR 61 3HG2 THR 61 22.134 7.626 -33.296 423 H TYR 62 H TYR 62 22.339 12.028 -31.817 424 HA TYR 62 HA TYR 62 19.520 12.342 -31.137 425 1HB TYR 62 1HB TYR 62 20.610 13.442 -29.286 426 2HB TYR 62 2HB TYR 62 21.660 14.335 -30.380 427 HD1 TYR 62 HD1 TYR 62 18.173 13.973 -29.216 428 HD2 TYR 62 HD2 TYR 62 20.940 16.348 -31.404 429 HE1 TYR 62 HE1 TYR 62 16.528 15.801 -29.297 430 HE2 TYR 62 HE2 TYR 62 19.306 18.184 -31.492 431 HH TYR 62 HH TYR 62 16.222 17.982 -29.784 432 H ASN 63 H ASN 63 18.366 13.370 -32.673 433 HA ASN 63 HA ASN 63 17.849 14.499 -34.584 434 1HB ASN 63 1HB ASN 63 19.549 16.164 -33.603 435 2HB ASN 63 2HB ASN 63 20.691 15.478 -34.756 436 2HD2 ASN 63 1HD2 ASN 63 18.367 17.806 -34.262 437 1HD2 ASN 63 2HD2 ASN 63 18.087 18.259 -35.906 438 H GLY 64 H GLY 64 19.847 11.958 -34.349 439 1HA GLY 64 1HA GLY 64 19.790 10.332 -36.146 440 2HA GLY 64 2HA GLY 64 19.975 11.661 -37.280 441 H ARG 65 H ARG 65 22.018 12.632 -35.052 442 HA ARG 65 HA ARG 65 24.255 11.094 -36.191 443 1HB ARG 65 2HB ARG 65 24.100 13.587 -36.679 444 2HB ARG 65 1HB ARG 65 25.627 13.004 -36.031 445 1HG ARG 65 1HG ARG 65 23.462 14.344 -34.431 446 2HG ARG 65 2HG ARG 65 25.030 13.805 -33.826 447 1HD ARG 65 1HD ARG 65 25.926 15.741 -34.423 448 2HD ARG 65 2HD ARG 65 25.492 15.427 -36.102 449 HE ARG 65 HE ARG 65 23.198 16.367 -34.941 450 1HH1 ARG 65 1HH1 ARG 65 26.454 17.543 -35.319 451 2HH1 ARG 65 2HH1 ARG 65 25.987 19.211 -35.346 452 1HH2 ARG 65 1HH2 ARG 65 22.572 18.559 -34.975 453 2HH2 ARG 65 2HH2 ARG 65 23.780 19.788 -35.149 454 H THR 66 H THR 66 26.194 12.133 -34.385 455 HA THR 66 HA THR 66 25.329 11.135 -31.774 456 HB THR 66 HB THR 66 27.831 10.131 -33.139 457 HG1 THR 66 HG1 THR 66 25.548 9.359 -33.787 458 1HG2 THR 66 1HG2 THR 66 27.189 10.286 -30.437 459 2HG2 THR 66 2HG2 THR 66 26.832 8.617 -30.880 460 3HG2 THR 66 3HG2 THR 66 28.440 9.281 -31.166 461 H PHE 67 H PHE 67 26.446 11.962 -30.033 462 HA PHE 67 HA PHE 67 28.625 13.848 -30.589 463 1HB PHE 67 1HB PHE 67 26.516 14.558 -28.579 464 2HB PHE 67 2HB PHE 67 27.638 15.613 -29.431 465 HD1 PHE 67 HD1 PHE 67 24.807 13.289 -30.172 466 HD2 PHE 67 HD2 PHE 67 26.811 16.921 -31.122 467 HE1 PHE 67 HE1 PHE 67 23.047 13.831 -31.801 468 HE2 PHE 67 HE2 PHE 67 25.054 17.468 -32.752 469 HZ PHE 67 HZ PHE 67 23.172 15.921 -33.098 470 H TYR 68 H TYR 68 30.312 13.565 -29.269 471 HA TYR 68 HA TYR 68 30.085 11.665 -27.096 472 1HB TYR 68 1HB TYR 68 32.445 13.091 -28.326 473 2HB TYR 68 2HB TYR 68 32.583 11.972 -26.976 474 HD1 TYR 68 HD1 TYR 68 30.653 11.867 -30.183 475 HD2 TYR 68 HD2 TYR 68 33.547 10.009 -27.688 476 HE1 TYR 68 HE1 TYR 68 30.792 9.982 -31.755 477 HE2 TYR 68 HE2 TYR 68 33.698 8.121 -29.244 478 HH TYR 68 HH TYR 68 32.949 8.094 -32.180 479 H SER 69 H SER 69 29.398 14.821 -27.236 480 HA SER 69 HA SER 69 29.806 15.182 -24.408 481 1HB SER 69 1HB SER 69 31.184 17.063 -26.339 482 2HB SER 69 2HB SER 69 31.095 17.267 -24.590 483 HG SER 69 HG SER 69 32.356 15.453 -24.330 484 H CYS 70 H CYS 70 28.958 17.372 -23.692 485 HA CYS 70 HA CYS 70 26.330 17.702 -24.397 486 1HB CYS 70 2HB CYS 70 26.369 19.762 -23.181 487 2HB CYS 70 1HB CYS 70 28.095 19.961 -23.450 488 H THR 71 H THR 71 25.459 19.957 -25.208 489 HA THR 71 HA THR 71 26.795 21.439 -27.143 490 HB THR 71 HB THR 71 27.005 19.402 -28.450 491 HG1 THR 71 HG1 THR 71 26.450 20.429 -30.234 492 1HG2 THR 71 1HG2 THR 71 24.825 18.462 -27.329 493 2HG2 THR 71 2HG2 THR 71 24.044 19.178 -28.742 494 3HG2 THR 71 3HG2 THR 71 25.292 17.950 -28.950 495 H THR 72 H THR 72 24.937 22.061 -28.986 496 HA THR 72 HA THR 72 22.390 22.503 -27.622 497 HB THR 72 HB THR 72 22.526 24.943 -28.523 498 HG1 THR 72 HG1 THR 72 24.845 25.628 -28.245 499 1HG2 THR 72 1HG2 THR 72 22.836 23.852 -26.056 500 2HG2 THR 72 2HG2 THR 72 24.353 24.735 -26.227 501 3HG2 THR 72 3HG2 THR 72 22.816 25.587 -26.379 502 H GLU 73 H GLU 73 22.615 20.732 -29.562 503 HA GLU 73 HA GLU 73 22.218 21.899 -32.171 504 1HB GLU 73 1HB GLU 73 22.250 19.683 -32.994 505 2HB GLU 73 2HB GLU 73 23.434 19.726 -31.696 506 1HG GLU 73 1HG GLU 73 20.929 18.989 -30.596 507 2HG GLU 73 2HG GLU 73 21.237 18.002 -32.024 508 H GLY 74 H GLY 74 20.219 20.526 -29.636 509 1HA GLY 74 1HA GLY 74 17.870 20.683 -31.385 510 2HA GLY 74 2HA GLY 74 17.949 19.839 -29.849 511 H ARG 75 H ARG 75 19.207 23.084 -30.097 512 HA ARG 75 HA ARG 75 16.727 24.253 -29.145 513 1HB ARG 75 1HB ARG 75 17.968 25.264 -27.158 514 2HB ARG 75 2HB ARG 75 17.507 23.574 -27.043 515 1HG ARG 75 1HG ARG 75 19.906 23.151 -27.969 516 2HG ARG 75 2HG ARG 75 20.207 24.781 -27.363 517 1HD ARG 75 1HD ARG 75 19.681 22.273 -25.896 518 2HD ARG 75 2HD ARG 75 20.716 23.632 -25.479 519 HE ARG 75 HE ARG 75 18.911 24.679 -24.458 520 1HH1 ARG 75 1HH1 ARG 75 17.910 21.731 -26.029 521 2HH1 ARG 75 2HH1 ARG 75 16.377 21.674 -25.227 522 1HH2 ARG 75 1HH2 ARG 75 16.893 24.609 -23.400 523 2HH2 ARG 75 2HH2 ARG 75 15.798 23.309 -23.734 524 H GLN 76 H GLN 76 16.815 26.578 -28.950 525 HA GLN 76 HA GLN 76 18.928 27.769 -30.622 526 1HB GLN 76 1HB GLN 76 17.369 29.179 -31.646 527 2HB GLN 76 2HB GLN 76 16.523 27.641 -31.548 528 1HG GLN 76 1HG GLN 76 15.171 28.374 -29.775 529 2HG GLN 76 2HG GLN 76 16.200 29.770 -29.461 530 2HE2 GLN 76 1HE2 GLN 76 13.447 28.648 -31.013 531 1HE2 GLN 76 2HE2 GLN 76 13.126 30.030 -31.999 532 H ASP 77 H ASP 77 18.221 27.457 -27.564 533 HA ASP 77 HA ASP 77 18.099 30.190 -26.681 534 1HB ASP 77 1HB ASP 77 18.531 29.107 -24.406 535 2HB ASP 77 2HB ASP 77 17.047 28.640 -25.232 536 H GLY 78 H GLY 78 20.527 27.609 -26.684 537 1HA GLY 78 1HA GLY 78 22.801 28.223 -27.345 538 2HA GLY 78 2HA GLY 78 22.583 29.713 -26.441 539 H HIS 79 H HIS 79 21.287 26.947 -24.914 540 HA HIS 79 HA HIS 79 23.577 26.941 -23.070 541 1HB HIS 79 1HB HIS 79 20.950 25.672 -22.399 542 2HB HIS 79 2HB HIS 79 22.150 26.391 -21.331 543 HD1 HIS 79 HD1 HIS 79 22.178 29.082 -23.219 544 HD2 HIS 79 HD2 HIS 79 18.963 27.328 -21.255 545 HE1 HIS 79 HE1 HIS 79 20.485 30.917 -22.928 546 HE2 HIS 79 HE2 HIS 79 18.586 29.855 -21.657 547 H LEU 80 H LEU 80 24.933 25.306 -23.260 548 HA LEU 80 HA LEU 80 24.596 23.100 -24.903 549 1HB LEU 80 1HB LEU 80 26.433 23.761 -22.651 550 2HB LEU 80 2HB LEU 80 26.399 22.106 -23.229 551 HG LEU 80 HG LEU 80 27.036 22.829 -25.460 552 1HD1 LEU 80 1HD1 LEU 80 26.461 25.494 -24.327 553 2HD1 LEU 80 2HD1 LEU 80 27.842 25.380 -25.419 554 3HD1 LEU 80 3HD1 LEU 80 26.241 24.883 -25.966 555 1HD2 LEU 80 1HD2 LEU 80 28.750 23.893 -23.225 556 2HD2 LEU 80 2HD2 LEU 80 28.859 22.322 -24.020 557 3HD2 LEU 80 3HD2 LEU 80 29.286 23.789 -24.902 558 H TRP 81 H TRP 81 23.930 21.006 -24.603 559 HA TRP 81 HA TRP 81 22.833 20.287 -21.982 560 1HB TRP 81 1HB TRP 81 20.795 19.422 -22.996 561 2HB TRP 81 2HB TRP 81 20.977 21.131 -23.374 562 HD1 TRP 81 HD1 TRP 81 21.656 21.749 -25.932 563 HE1 TRP 81 HE1 TRP 81 21.260 20.466 -28.125 564 HE3 TRP 81 HE3 TRP 81 20.658 17.122 -24.000 565 HZ2 TRP 81 HZ2 TRP 81 20.599 17.843 -28.932 566 HZ3 TRP 81 HZ3 TRP 81 20.151 15.281 -25.550 567 HH2 TRP 81 HH2 TRP 81 20.125 15.635 -27.965 568 H CYS 82 H CYS 82 22.191 17.915 -21.962 569 HA CYS 82 HA CYS 82 23.605 16.192 -23.790 570 1HB CYS 82 1HB CYS 82 25.163 15.260 -22.281 571 2HB CYS 82 2HB CYS 82 25.308 17.001 -22.062 572 H SER 83 H SER 83 23.360 13.848 -23.084 573 HA SER 83 HA SER 83 20.644 13.507 -22.034 574 1HB SER 83 1HB SER 83 20.675 12.410 -24.068 575 2HB SER 83 2HB SER 83 22.370 11.949 -23.913 576 HG SER 83 HG SER 83 20.147 10.820 -22.564 577 H THR 84 H THR 84 20.188 12.204 -20.301 578 HA THR 84 HA THR 84 22.491 11.403 -18.673 579 HB THR 84 HB THR 84 21.153 11.571 -16.767 580 HG1 THR 84 HG1 THR 84 19.131 10.947 -16.785 581 1HG2 THR 84 1HG2 THR 84 20.070 13.643 -18.681 582 2HG2 THR 84 2HG2 THR 84 19.994 13.731 -16.921 583 3HG2 THR 84 3HG2 THR 84 21.556 13.774 -17.740 584 H THR 85 H THR 85 20.078 10.120 -20.661 585 HA THR 85 HA THR 85 20.674 7.413 -19.691 586 HB THR 85 HB THR 85 17.949 8.556 -20.295 587 HG1 THR 85 HG1 THR 85 18.957 8.473 -18.093 588 1HG2 THR 85 1HG2 THR 85 18.927 5.775 -20.596 589 2HG2 THR 85 2HG2 THR 85 17.381 5.989 -19.774 590 3HG2 THR 85 3HG2 THR 85 17.602 6.606 -21.410 591 H SER 86 H SER 86 21.456 6.180 -21.272 592 HA SER 86 HA SER 86 22.074 6.857 -23.790 593 1HB SER 86 1HB SER 86 21.228 4.202 -24.112 594 2HB SER 86 2HB SER 86 22.844 4.754 -23.668 595 HG SER 86 HG SER 86 21.411 3.250 -22.222 596 H ASN 87 H ASN 87 18.888 6.001 -22.657 597 HA ASN 87 HA ASN 87 17.824 6.283 -25.383 598 1HB ASN 87 1HB ASN 87 17.262 4.431 -23.333 599 2HB ASN 87 2HB ASN 87 15.844 5.466 -23.460 600 2HD2 ASN 87 1HD2 ASN 87 14.752 5.597 -25.462 601 1HD2 ASN 87 2HD2 ASN 87 14.882 4.327 -26.626 602 H TYR 88 H TYR 88 18.305 8.655 -24.938 603 HA TYR 88 HA TYR 88 16.613 10.054 -23.108 604 1HB TYR 88 1HB TYR 88 18.523 11.277 -23.533 605 2HB TYR 88 2HB TYR 88 18.568 10.817 -25.231 606 HD1 TYR 88 HD1 TYR 88 16.984 11.927 -26.835 607 HD2 TYR 88 HD2 TYR 88 17.500 13.296 -22.840 608 HE1 TYR 88 HE1 TYR 88 15.983 14.087 -27.452 609 HE2 TYR 88 HE2 TYR 88 16.499 15.459 -23.447 610 HH TYR 88 HH TYR 88 15.289 16.547 -25.038 611 H GLU 89 H GLU 89 16.198 8.750 -26.221 612 HA GLU 89 HA GLU 89 14.272 10.568 -27.236 613 1HB GLU 89 1HB GLU 89 15.148 7.796 -27.925 614 2HB GLU 89 2HB GLU 89 13.642 8.397 -28.605 615 1HG GLU 89 1HG GLU 89 14.890 10.344 -29.505 616 2HG GLU 89 2HG GLU 89 16.381 9.600 -28.930 617 H GLN 90 H GLN 90 14.146 8.037 -24.912 618 HA GLN 90 HA GLN 90 11.203 8.151 -24.924 619 1HB GLN 90 2HB GLN 90 12.452 5.912 -25.341 620 2HB GLN 90 1HB GLN 90 11.081 5.940 -24.241 621 1HG GLN 90 1HG GLN 90 14.000 5.796 -23.578 622 2HG GLN 90 2HG GLN 90 12.788 6.248 -22.381 623 2HE2 GLN 90 1HE2 GLN 90 12.117 3.984 -24.928 624 1HE2 GLN 90 2HE2 GLN 90 12.030 2.577 -23.930 625 H ASP 91 H ASP 91 14.089 8.141 -22.909 626 HA ASP 91 HA ASP 91 12.693 8.481 -20.447 627 1HB ASP 91 1HB ASP 91 15.510 8.436 -21.339 628 2HB ASP 91 2HB ASP 91 15.190 9.387 -19.892 629 H GLN 92 H GLN 92 14.431 10.695 -22.611 630 HA GLN 92 HA GLN 92 14.182 12.938 -22.963 631 1HB GLN 92 1HB GLN 92 11.684 12.187 -22.119 632 2HB GLN 92 2HB GLN 92 12.110 13.421 -20.941 633 1HG GLN 92 1HG GLN 92 11.064 14.653 -22.569 634 2HG GLN 92 2HG GLN 92 12.760 14.824 -23.019 635 2HE2 GLN 92 1HE2 GLN 92 10.189 12.428 -23.548 636 1HE2 GLN 92 2HE2 GLN 92 10.427 12.300 -25.255 637 H LYS 93 H LYS 93 15.459 11.537 -20.461 638 HA LYS 93 HA LYS 93 15.648 13.761 -18.616 639 1HB LYS 93 1HB LYS 93 16.755 10.971 -18.675 640 2HB LYS 93 2HB LYS 93 17.376 12.155 -17.531 641 1HG LYS 93 1HG LYS 93 15.575 10.642 -16.662 642 2HG LYS 93 2HG LYS 93 15.274 12.372 -16.470 643 1HD LYS 93 1HD LYS 93 13.557 12.377 -17.964 644 2HD LYS 93 2HD LYS 93 14.269 11.097 -18.947 645 1HE LYS 93 2HE LYS 93 12.404 10.080 -17.995 646 2HE LYS 93 1HE LYS 93 12.648 10.874 -16.439 647 1HZ LYS 93 1HZ LYS 93 14.704 9.023 -17.412 648 2HZ LYS 93 2HZ LYS 93 14.249 9.388 -15.823 649 3HZ LYS 93 3HZ LYS 93 13.276 8.380 -16.771 650 H TYR 94 H TYR 94 16.756 15.435 -19.457 651 HA TYR 94 HA TYR 94 19.475 14.887 -20.456 652 1HB TYR 94 1HB TYR 94 19.289 16.594 -22.033 653 2HB TYR 94 2HB TYR 94 17.685 15.870 -22.061 654 HD1 TYR 94 HD1 TYR 94 15.834 17.001 -20.737 655 HD2 TYR 94 HD2 TYR 94 19.573 18.871 -21.530 656 HE1 TYR 94 HE1 TYR 94 14.832 19.195 -20.257 657 HE2 TYR 94 HE2 TYR 94 18.581 21.070 -21.052 658 HH TYR 94 HH TYR 94 16.742 22.182 -20.505 659 H SER 95 H SER 95 20.860 16.986 -20.288 660 HA SER 95 HA SER 95 20.300 18.592 -17.947 661 1HB SER 95 1HB SER 95 22.954 17.599 -17.555 662 2HB SER 95 2HB SER 95 21.564 17.471 -16.478 663 HG SER 95 HG SER 95 22.675 15.472 -17.450 664 H PHE 96 H PHE 96 21.233 20.561 -18.073 665 HA PHE 96 HA PHE 96 22.461 21.361 -20.493 666 1HB PHE 96 1HB PHE 96 22.046 22.732 -17.842 667 2HB PHE 96 2HB PHE 96 22.889 23.521 -19.172 668 HD1 PHE 96 HD1 PHE 96 21.256 22.476 -21.449 669 HD2 PHE 96 HD2 PHE 96 20.119 24.039 -17.658 670 HE1 PHE 96 HE1 PHE 96 19.099 23.187 -22.395 671 HE2 PHE 96 HE2 PHE 96 17.960 24.752 -18.596 672 HZ PHE 96 HZ PHE 96 17.447 24.326 -20.967 673 H CYS 97 H CYS 97 24.542 22.854 -20.232 674 HA CYS 97 HA CYS 97 26.545 21.691 -18.495 675 1HB CYS 97 1HB CYS 97 26.761 21.478 -21.504 676 2HB CYS 97 2HB CYS 97 28.081 21.161 -20.384 677 H THR 98 H THR 98 28.126 23.118 -17.988 678 HA THR 98 HA THR 98 27.828 25.814 -18.369 679 HB THR 98 HB THR 98 30.040 26.106 -17.511 680 HG1 THR 98 HG1 THR 98 31.604 24.767 -18.002 681 1HG2 THR 98 1HG2 THR 98 28.223 24.155 -16.383 682 2HG2 THR 98 2HG2 THR 98 29.889 23.856 -15.888 683 3HG2 THR 98 3HG2 THR 98 29.147 25.425 -15.581 684 H ASP 99 H ASP 99 30.732 24.321 -19.709 685 HA ASP 99 HA ASP 99 30.459 24.549 -22.377 686 1HB ASP 99 1HB ASP 99 30.285 27.182 -21.188 687 2HB ASP 99 2HB ASP 99 31.657 27.084 -22.287 688 H HIS 100 H HIS 100 32.591 25.993 -19.927 689 HA HIS 100 HA HIS 100 34.899 26.079 -19.852 690 1HB HIS 100 1HB HIS 100 34.256 23.132 -20.033 691 2HB HIS 100 2HB HIS 100 35.834 23.760 -19.567 692 HD1 HIS 100 HD1 HIS 100 33.724 26.083 -18.062 693 HD2 HIS 100 HD2 HIS 100 34.578 22.098 -17.249 694 HE1 HIS 100 HE1 HIS 100 33.085 25.736 -15.655 695 HE2 HIS 100 HE2 HIS 100 33.695 23.342 -15.160 696 H THR 101 H THR 101 35.009 23.147 -21.751 697 HA THR 101 HA THR 101 36.283 22.643 -23.589 698 HB THR 101 HB THR 101 35.656 23.960 -25.625 699 HG1 THR 101 HG1 THR 101 33.737 25.423 -25.031 700 1HG2 THR 101 1HG2 THR 101 33.818 22.541 -23.829 701 2HG2 THR 101 2HG2 THR 101 33.025 23.560 -25.031 702 3HG2 THR 101 3HG2 THR 101 34.142 22.295 -25.545 No H/Q in entry = 702 Start of MODEL 13 1 H1 TYR 1 H1 TYR 1 48.485 7.764 -40.139 2 H2 TYR 1 H2 TYR 1 49.913 8.592 -40.511 3 H3 TYR 1 H3 TYR 1 48.413 9.285 -40.876 4 HA TYR 1 HA TYR 1 48.862 8.510 -42.924 5 1HB TYR 1 1HB TYR 1 50.768 6.890 -41.378 6 2HB TYR 1 2HB TYR 1 50.167 6.096 -42.830 7 HD1 TYR 1 HD1 TYR 1 50.460 7.243 -45.051 8 HD2 TYR 1 HD2 TYR 1 52.374 8.617 -41.508 9 HE1 TYR 1 HE1 TYR 1 52.054 8.526 -46.416 10 HE2 TYR 1 HE2 TYR 1 53.972 9.904 -42.862 11 HH TYR 1 HH TYR 1 54.321 9.465 -46.205 12 H GLY 2 H GLY 2 47.085 7.754 -43.865 13 1HA GLY 2 1HA GLY 2 45.082 6.596 -44.064 14 2HA GLY 2 2HA GLY 2 46.193 5.237 -44.126 15 H HIS 3 H HIS 3 45.529 3.646 -42.857 16 HA HIS 3 HA HIS 3 43.591 3.711 -40.932 17 1HB HIS 3 1HB HIS 3 45.808 1.882 -41.586 18 2HB HIS 3 2HB HIS 3 45.194 1.742 -39.942 19 HD1 HIS 3 HD1 HIS 3 44.362 0.986 -43.466 20 HD2 HIS 3 HD2 HIS 3 42.474 0.902 -39.765 21 HE1 HIS 3 HE1 HIS 3 42.274 -0.372 -43.808 22 HE2 HIS 3 HE2 HIS 3 41.113 -0.352 -41.572 23 H CYS 4 H CYS 4 43.456 4.088 -38.759 24 HA CYS 4 HA CYS 4 45.816 5.367 -37.544 25 1HB CYS 4 1HB CYS 4 43.793 6.102 -35.902 26 2HB CYS 4 2HB CYS 4 44.304 7.035 -37.300 27 H VAL 5 H VAL 5 46.819 4.328 -35.964 28 HA VAL 5 HA VAL 5 45.311 2.314 -34.428 29 HB VAL 5 HB VAL 5 48.216 2.205 -35.249 30 1HG1 VAL 5 1HG1 VAL 5 46.580 0.411 -33.469 31 2HG1 VAL 5 2HG1 VAL 5 48.108 -0.081 -34.199 32 3HG1 VAL 5 3HG1 VAL 5 48.067 1.273 -33.070 33 1HG2 VAL 5 1HG2 VAL 5 46.167 1.603 -36.832 34 2HG2 VAL 5 2HG2 VAL 5 47.665 0.672 -36.837 35 3HG2 VAL 5 3HG2 VAL 5 46.263 0.084 -35.942 36 H THR 6 H THR 6 44.838 3.648 -32.698 37 HA THR 6 HA THR 6 46.475 5.471 -31.433 38 HB THR 6 HB THR 6 44.353 5.582 -30.582 39 HG1 THR 6 HG1 THR 6 44.689 5.337 -28.489 40 1HG2 THR 6 1HG2 THR 6 44.391 2.581 -30.670 41 2HG2 THR 6 2HG2 THR 6 43.157 3.451 -29.757 42 3HG2 THR 6 3HG2 THR 6 43.309 3.703 -31.495 43 H ASP 7 H ASP 7 48.603 4.616 -31.455 44 HA ASP 7 HA ASP 7 50.421 3.800 -30.340 45 1HB ASP 7 1HB ASP 7 48.518 2.629 -28.309 46 2HB ASP 7 2HB ASP 7 50.232 2.971 -28.099 47 H SER 8 H SER 8 48.003 1.329 -29.546 48 HA SER 8 HA SER 8 48.511 -0.455 -31.601 49 1HB SER 8 1HB SER 8 50.832 -0.469 -30.686 50 2HB SER 8 2HB SER 8 50.192 -1.100 -29.168 51 HG SER 8 HG SER 8 49.457 -2.470 -31.459 52 H GLY 9 H GLY 9 46.363 0.409 -29.941 53 1HA GLY 9 1HA GLY 9 45.595 -2.173 -28.725 54 2HA GLY 9 2HA GLY 9 45.141 -0.630 -28.021 55 H VAL 10 H VAL 10 44.794 0.298 -30.956 56 HA VAL 10 HA VAL 10 42.345 -1.133 -31.646 57 HB VAL 10 HB VAL 10 42.244 1.863 -31.505 58 1HG1 VAL 10 1HG1 VAL 10 40.405 -0.337 -32.095 59 2HG1 VAL 10 2HG1 VAL 10 39.751 0.881 -31.001 60 3HG1 VAL 10 3HG1 VAL 10 40.350 1.354 -32.591 61 1HG2 VAL 10 1HG2 VAL 10 41.972 -0.084 -29.273 62 2HG2 VAL 10 2HG2 VAL 10 42.610 1.560 -29.268 63 3HG2 VAL 10 3HG2 VAL 10 40.868 1.291 -29.326 64 H VAL 11 H VAL 11 41.839 -1.072 -33.805 65 HA VAL 11 HA VAL 11 43.808 0.268 -35.533 66 HB VAL 11 HB VAL 11 42.007 -2.045 -36.257 67 1HG1 VAL 11 1HG1 VAL 11 43.368 -0.282 -37.883 68 2HG1 VAL 11 2HG1 VAL 11 44.459 -1.664 -37.772 69 3HG1 VAL 11 3HG1 VAL 11 42.804 -1.890 -38.336 70 1HG2 VAL 11 1HG2 VAL 11 44.076 -2.187 -34.493 71 2HG2 VAL 11 2HG2 VAL 11 43.525 -3.520 -35.507 72 3HG2 VAL 11 3HG2 VAL 11 44.889 -2.527 -36.021 73 H TYR 12 H TYR 12 42.615 2.263 -35.371 74 HA TYR 12 HA TYR 12 39.939 2.404 -36.435 75 1HB TYR 12 1HB TYR 12 41.923 4.540 -35.637 76 2HB TYR 12 2HB TYR 12 40.293 4.882 -36.205 77 HD1 TYR 12 HD1 TYR 12 38.389 3.609 -34.881 78 HD2 TYR 12 HD2 TYR 12 42.289 4.391 -33.376 79 HE1 TYR 12 HE1 TYR 12 37.543 3.365 -32.583 80 HE2 TYR 12 HE2 TYR 12 41.456 4.147 -31.072 81 HH TYR 12 HH TYR 12 39.658 3.885 -29.783 82 H SER 13 H SER 13 39.648 4.336 -38.084 83 HA SER 13 HA SER 13 41.615 4.069 -40.245 84 1HB SER 13 1HB SER 13 38.715 3.425 -40.307 85 2HB SER 13 2HB SER 13 39.383 4.255 -41.711 86 HG SER 13 HG SER 13 40.738 2.035 -40.673 87 H VAL 14 H VAL 14 42.080 5.911 -41.308 88 HA VAL 14 HA VAL 14 41.943 8.364 -40.341 89 HB VAL 14 HB VAL 14 43.079 7.981 -42.417 90 1HG1 VAL 14 1HG1 VAL 14 40.813 6.644 -43.194 91 2HG1 VAL 14 2HG1 VAL 14 40.773 8.094 -44.196 92 3HG1 VAL 14 3HG1 VAL 14 42.183 7.036 -44.233 93 1HG2 VAL 14 1HG2 VAL 14 41.279 10.195 -42.021 94 2HG2 VAL 14 2HG2 VAL 14 42.916 10.184 -42.675 95 3HG2 VAL 14 3HG2 VAL 14 41.540 9.899 -43.740 96 H GLY 15 H GLY 15 40.062 8.739 -39.134 97 1HA GLY 15 1HA GLY 15 38.246 10.448 -39.543 98 2HA GLY 15 2HA GLY 15 37.645 9.305 -40.731 99 H MET 16 H MET 16 38.936 7.687 -38.077 100 HA MET 16 HA MET 16 36.255 7.031 -37.150 101 1HB MET 16 1HB MET 16 38.894 5.736 -37.100 102 2HB MET 16 2HB MET 16 37.950 5.514 -35.634 103 1HG MET 16 1HG MET 16 36.372 5.094 -38.028 104 2HG MET 16 2HG MET 16 37.772 4.026 -37.947 105 1HE MET 16 1HE MET 16 38.097 2.259 -36.814 106 2HE MET 16 2HE MET 16 37.276 1.607 -35.395 107 3HE MET 16 3HE MET 16 36.581 1.376 -37.000 108 H GLN 17 H GLN 17 35.386 8.163 -35.558 109 HA GLN 17 HA GLN 17 37.109 9.557 -33.652 110 1HB GLN 17 1HB GLN 17 34.273 9.835 -34.535 111 2HB GLN 17 2HB GLN 17 34.691 10.375 -32.915 112 1HG GLN 17 1HG GLN 17 36.428 11.831 -33.880 113 2HG GLN 17 2HG GLN 17 35.917 11.332 -35.491 114 2HE2 GLN 17 1HE2 GLN 17 34.105 12.202 -32.571 115 1HE2 GLN 17 2HE2 GLN 17 33.188 13.467 -33.308 116 H TRP 18 H TRP 18 37.681 8.421 -31.910 117 HA TRP 18 HA TRP 18 35.628 6.744 -30.626 118 1HB TRP 18 1HB TRP 18 37.306 5.164 -29.975 119 2HB TRP 18 2HB TRP 18 37.490 5.452 -31.703 120 HD1 TRP 18 HD1 TRP 18 39.288 5.885 -28.389 121 HE1 TRP 18 HE1 TRP 18 41.703 6.632 -28.839 122 HE3 TRP 18 HE3 TRP 18 38.932 6.806 -33.405 123 HZ2 TRP 18 HZ2 TRP 18 43.261 7.506 -31.035 124 HZ3 TRP 18 HZ3 TRP 18 40.927 7.597 -34.604 125 HH2 TRP 18 HH2 TRP 18 43.045 7.939 -33.442 126 H LEU 19 H LEU 19 36.709 6.140 -28.287 127 HA LEU 19 HA LEU 19 37.482 8.682 -27.029 128 1HB LEU 19 1HB LEU 19 35.007 8.082 -26.798 129 2HB LEU 19 2HB LEU 19 35.535 6.762 -25.773 130 HG LEU 19 HG LEU 19 36.750 8.640 -24.426 131 1HD1 LEU 19 1HD1 LEU 19 36.139 10.328 -26.246 132 2HD1 LEU 19 2HD1 LEU 19 34.513 10.286 -25.563 133 3HD1 LEU 19 3HD1 LEU 19 35.876 10.803 -24.568 134 1HD2 LEU 19 1HD2 LEU 19 34.834 7.222 -23.686 135 2HD2 LEU 19 2HD2 LEU 19 34.842 8.846 -22.998 136 3HD2 LEU 19 3HD2 LEU 19 33.744 8.454 -24.321 137 H LYS 20 H LYS 20 38.972 8.536 -25.435 138 HA LYS 20 HA LYS 20 39.874 5.829 -24.697 139 1HB LYS 20 1HB LYS 20 41.309 7.755 -26.095 140 2HB LYS 20 2HB LYS 20 41.915 7.890 -24.449 141 1HG LYS 20 1HG LYS 20 42.105 5.296 -24.602 142 2HG LYS 20 2HG LYS 20 42.065 5.591 -26.341 143 1HD LYS 20 1HD LYS 20 44.361 5.503 -25.558 144 2HD LYS 20 2HD LYS 20 43.966 7.135 -26.105 145 1HE LYS 20 1HE LYS 20 43.898 7.978 -23.940 146 2HE LYS 20 2HE LYS 20 43.667 6.384 -23.222 147 1HZ LYS 20 1HZ LYS 20 46.074 6.180 -24.458 148 2HZ LYS 20 2HZ LYS 20 46.099 7.763 -23.864 149 3HZ LYS 20 3HZ LYS 20 45.839 6.467 -22.808 150 H THR 21 H THR 21 40.852 5.620 -22.585 151 HA THR 21 HA THR 21 40.218 7.768 -20.690 152 HB THR 21 HB THR 21 39.619 5.018 -19.755 153 HG1 THR 21 HG1 THR 21 37.355 5.620 -20.676 154 1HG2 THR 21 1HG2 THR 21 38.318 7.718 -19.382 155 2HG2 THR 21 2HG2 THR 21 37.791 6.229 -18.598 156 3HG2 THR 21 3HG2 THR 21 39.387 6.895 -18.245 157 H GLN 22 H GLN 22 41.386 7.673 -18.718 158 HA GLN 22 HA GLN 22 43.849 6.082 -18.921 159 1HB GLN 22 1HB GLN 22 43.242 8.759 -17.703 160 2HB GLN 22 2HB GLN 22 44.646 7.838 -17.180 161 1HG GLN 22 1HG GLN 22 44.491 7.978 -20.059 162 2HG GLN 22 2HG GLN 22 44.493 9.583 -19.328 163 2HE2 GLN 22 1HE2 GLN 22 46.478 10.348 -19.502 164 1HE2 GLN 22 2HE2 GLN 22 47.929 9.510 -19.078 165 H GLY 23 H GLY 23 40.984 5.805 -17.508 166 1HA GLY 23 1HA GLY 23 40.429 4.224 -15.866 167 2HA GLY 23 2HA GLY 23 42.085 4.280 -15.283 168 H ASN 24 H ASN 24 41.680 7.365 -15.424 169 HA ASN 24 HA ASN 24 40.266 7.571 -12.846 170 1HB ASN 24 1HB ASN 24 42.293 9.629 -13.477 171 2HB ASN 24 2HB ASN 24 41.932 8.831 -11.949 172 2HD2 ASN 24 1HD2 ASN 24 44.511 9.363 -13.063 173 1HD2 ASN 24 2HD2 ASN 24 45.289 7.838 -13.296 174 H LYS 25 H LYS 25 40.993 9.120 -15.926 175 HA LYS 25 HA LYS 25 38.599 10.787 -15.562 176 1HB LYS 25 2HB LYS 25 39.662 12.708 -16.461 177 2HB LYS 25 1HB LYS 25 41.069 11.785 -16.971 178 1HG LYS 25 1HG LYS 25 41.859 11.571 -14.765 179 2HG LYS 25 2HG LYS 25 41.365 13.255 -14.944 180 1HD LYS 25 1HD LYS 25 39.076 11.934 -14.068 181 2HD LYS 25 2HD LYS 25 40.390 11.230 -13.124 182 1HE LYS 25 1HE LYS 25 40.173 13.007 -11.790 183 2HE LYS 25 2HE LYS 25 40.976 13.911 -13.073 184 1HZ LYS 25 1HZ LYS 25 38.068 13.551 -13.214 185 2HZ LYS 25 2HZ LYS 25 38.688 14.687 -12.125 186 3HZ LYS 25 3HZ LYS 25 39.024 14.829 -13.777 187 H GLN 26 H GLN 26 38.378 11.987 -17.937 188 HA GLN 26 HA GLN 26 38.087 9.728 -19.792 189 1HB GLN 26 1HB GLN 26 36.450 12.066 -19.142 190 2HB GLN 26 2HB GLN 26 36.647 11.816 -20.871 191 1HG GLN 26 1HG GLN 26 35.234 10.109 -20.873 192 2HG GLN 26 2HG GLN 26 36.048 9.342 -19.511 193 2HE2 GLN 26 1HE2 GLN 26 33.303 9.255 -19.850 194 1HE2 GLN 26 2HE2 GLN 26 32.550 10.160 -18.587 195 H MET 27 H MET 27 38.302 10.270 -22.132 196 HA MET 27 HA MET 27 39.847 12.542 -22.904 197 1HB MET 27 1HB MET 27 41.475 10.894 -21.735 198 2HB MET 27 2HB MET 27 41.309 9.936 -23.202 199 1HG MET 27 1HG MET 27 41.845 12.690 -23.838 200 2HG MET 27 2HG MET 27 43.067 12.047 -22.741 201 1HE MET 27 1HE MET 27 44.774 10.587 -23.191 202 2HE MET 27 2HE MET 27 45.302 10.030 -24.780 203 3HE MET 27 3HE MET 27 45.300 11.753 -24.405 204 H LEU 28 H LEU 28 38.981 12.990 -24.808 205 HA LEU 28 HA LEU 28 37.926 10.854 -26.489 206 1HB LEU 28 1HB LEU 28 36.748 13.083 -25.958 207 2HB LEU 28 2HB LEU 28 37.865 13.797 -27.105 208 HG LEU 28 HG LEU 28 36.656 11.517 -28.325 209 1HD1 LEU 28 1HD1 LEU 28 34.901 11.997 -26.567 210 2HD1 LEU 28 2HD1 LEU 28 34.627 13.527 -27.399 211 3HD1 LEU 28 3HD1 LEU 28 34.356 12.002 -28.243 212 1HD2 LEU 28 1HD2 LEU 28 37.053 14.379 -28.803 213 2HD2 LEU 28 2HD2 LEU 28 37.213 13.008 -29.902 214 3HD2 LEU 28 3HD2 LEU 28 35.621 13.696 -29.575 215 H CYS 29 H CYS 29 38.926 10.109 -28.276 216 HA CYS 29 HA CYS 29 41.127 11.719 -29.373 217 1HB CYS 29 1HB CYS 29 41.863 9.737 -27.921 218 2HB CYS 29 2HB CYS 29 41.276 8.722 -29.232 219 H THR 30 H THR 30 41.544 11.521 -31.557 220 HA THR 30 HA THR 30 39.836 9.839 -33.197 221 HB THR 30 HB THR 30 39.732 12.848 -33.468 222 HG1 THR 30 HG1 THR 30 37.761 12.708 -32.583 223 1HG2 THR 30 1HG2 THR 30 38.764 10.595 -35.181 224 2HG2 THR 30 2HG2 THR 30 37.856 12.107 -35.131 225 3HG2 THR 30 3HG2 THR 30 39.542 12.107 -35.651 226 H CYS 31 H CYS 31 40.526 9.665 -35.363 227 HA CYS 31 HA CYS 31 43.265 10.644 -35.795 228 1HB CYS 31 1HB CYS 31 43.510 8.750 -37.371 229 2HB CYS 31 2HB CYS 31 43.146 8.222 -35.732 230 H LEU 32 H LEU 32 43.160 12.445 -36.931 231 HA LEU 32 HA LEU 32 41.102 12.941 -38.872 232 1HB LEU 32 1HB LEU 32 42.751 14.987 -39.290 233 2HB LEU 32 2HB LEU 32 41.632 14.933 -37.942 234 HG LEU 32 HG LEU 32 44.289 13.769 -37.408 235 1HD1 LEU 32 1HD1 LEU 32 43.958 16.519 -38.402 236 2HD1 LEU 32 2HD1 LEU 32 44.917 16.330 -36.933 237 3HD1 LEU 32 3HD1 LEU 32 45.373 15.463 -38.400 238 1HD2 LEU 32 1HD2 LEU 32 42.203 14.343 -35.869 239 2HD2 LEU 32 2HD2 LEU 32 43.861 14.437 -35.275 240 3HD2 LEU 32 3HD2 LEU 32 43.023 15.903 -35.782 241 H GLY 33 H GLY 33 44.315 13.975 -39.725 242 1HA GLY 33 1HA GLY 33 44.371 11.982 -41.892 243 2HA GLY 33 2HA GLY 33 44.538 13.688 -42.259 244 H ASN 34 H ASN 34 46.212 14.482 -40.181 245 HA ASN 34 HA ASN 34 48.724 13.562 -41.193 246 1HB ASN 34 1HB ASN 34 49.734 15.181 -39.726 247 2HB ASN 34 2HB ASN 34 48.307 15.914 -40.451 248 2HD2 ASN 34 1HD2 ASN 34 49.347 14.131 -37.578 249 1HD2 ASN 34 2HD2 ASN 34 48.333 14.982 -36.473 250 H GLY 35 H GLY 35 46.779 12.916 -38.361 251 1HA GLY 35 1HA GLY 35 48.178 10.509 -37.814 252 2HA GLY 35 2HA GLY 35 48.665 11.758 -36.679 253 H VAL 36 H VAL 36 47.624 11.627 -34.821 254 HA VAL 36 HA VAL 36 44.737 11.238 -34.807 255 HB VAL 36 HB VAL 36 46.665 9.406 -33.388 256 1HG1 VAL 36 1HG1 VAL 36 45.021 10.179 -31.758 257 2HG1 VAL 36 2HG1 VAL 36 43.715 9.729 -32.853 258 3HG1 VAL 36 3HG1 VAL 36 44.759 8.483 -32.168 259 1HG2 VAL 36 1HG2 VAL 36 44.834 9.188 -35.641 260 2HG2 VAL 36 2HG2 VAL 36 46.192 8.163 -35.179 261 3HG2 VAL 36 3HG2 VAL 36 44.611 7.921 -34.435 262 H SER 37 H SER 37 43.884 12.738 -33.546 263 HA SER 37 HA SER 37 45.507 13.802 -31.331 264 1HB SER 37 1HB SER 37 44.988 15.418 -33.172 265 2HB SER 37 2HB SER 37 43.274 15.222 -32.801 266 HG SER 37 HG SER 37 45.189 16.681 -31.507 267 H CYS 38 H CYS 38 44.409 14.391 -29.385 268 HA CYS 38 HA CYS 38 41.686 13.449 -29.019 269 1HB CYS 38 1HB CYS 38 43.372 12.430 -26.880 270 2HB CYS 38 2HB CYS 38 42.123 11.614 -27.795 271 H GLN 39 H GLN 39 40.660 14.316 -27.208 272 HA GLN 39 HA GLN 39 42.050 16.624 -26.054 273 1HB GLN 39 1HB GLN 39 39.513 16.340 -27.147 274 2HB GLN 39 2HB GLN 39 39.221 16.381 -25.414 275 1HG GLN 39 1HG GLN 39 41.088 18.423 -26.354 276 2HG GLN 39 2HG GLN 39 39.464 18.560 -27.026 277 2HE2 GLN 39 1HE2 GLN 39 40.876 17.729 -23.875 278 1HE2 GLN 39 2HE2 GLN 39 39.880 18.798 -22.954 279 H GLU 40 H GLU 40 43.138 15.972 -24.274 280 HA GLU 40 HA GLU 40 42.365 13.927 -22.524 281 1HB GLU 40 1HB GLU 40 44.005 14.891 -20.958 282 2HB GLU 40 2HB GLU 40 44.649 14.754 -22.589 283 1HG GLU 40 1HG GLU 40 43.935 17.207 -22.852 284 2HG GLU 40 2HG GLU 40 43.827 17.208 -21.091 285 H THR 41 H THR 41 41.087 13.853 -20.756 286 HA THR 41 HA THR 41 39.748 14.573 -19.024 287 HB THR 41 HB THR 41 40.100 17.416 -19.980 288 HG1 THR 41 HG1 THR 41 41.726 15.921 -18.171 289 1HG2 THR 41 1HG2 THR 41 38.788 16.112 -17.736 290 2HG2 THR 41 2HG2 THR 41 39.943 17.338 -17.218 291 3HG2 THR 41 3HG2 THR 41 38.639 17.770 -18.322 292 H ALA 42 H ALA 42 39.323 16.570 -21.944 293 HA ALA 42 HA ALA 42 37.555 16.795 -23.366 294 1HB ALA 42 2HB ALA 42 36.240 14.596 -21.776 295 2HB ALA 42 3HB ALA 42 35.775 15.167 -23.379 296 3HB ALA 42 1HB ALA 42 37.318 14.346 -23.150 297 H VAL 43 H VAL 43 35.734 15.834 -20.472 298 HA VAL 43 HA VAL 43 33.988 16.887 -19.428 299 HB VAL 43 HB VAL 43 34.570 18.910 -18.289 300 1HG1 VAL 43 1HG1 VAL 43 36.845 16.991 -18.664 301 2HG1 VAL 43 2HG1 VAL 43 36.942 18.334 -17.525 302 3HG1 VAL 43 3HG1 VAL 43 35.697 17.100 -17.330 303 1HG2 VAL 43 1HG2 VAL 43 35.628 19.819 -20.567 304 2HG2 VAL 43 2HG2 VAL 43 36.032 20.499 -18.992 305 3HG2 VAL 43 3HG2 VAL 43 37.112 19.329 -19.749 306 H THR 44 H THR 44 32.970 19.392 -19.344 307 HA THR 44 HA THR 44 32.762 20.909 -21.621 308 HB THR 44 HB THR 44 30.326 19.672 -22.156 309 HG1 THR 44 HG1 THR 44 31.444 17.833 -20.981 310 1HG2 THR 44 1HG2 THR 44 32.093 20.752 -23.672 311 2HG2 THR 44 2HG2 THR 44 32.826 19.149 -23.740 312 3HG2 THR 44 3HG2 THR 44 31.179 19.393 -24.322 313 H GLN 45 H GLN 45 31.020 22.409 -21.593 314 HA GLN 45 HA GLN 45 29.408 22.348 -19.129 315 1HB GLN 45 1HB GLN 45 30.173 24.974 -20.296 316 2HB GLN 45 2HB GLN 45 29.908 24.526 -18.617 317 1HG GLN 45 1HG GLN 45 32.148 23.080 -19.341 318 2HG GLN 45 2HG GLN 45 32.362 24.633 -20.147 319 2HE2 GLN 45 1HE2 GLN 45 31.938 26.562 -18.725 320 1HE2 GLN 45 2HE2 GLN 45 32.540 26.487 -17.107 321 H THR 46 H THR 46 27.594 24.123 -19.345 322 HA THR 46 HA THR 46 26.541 24.333 -22.045 323 HB THR 46 HB THR 46 24.357 23.357 -21.443 324 HG1 THR 46 HG1 THR 46 24.850 23.625 -19.072 325 1HG2 THR 46 1HG2 THR 46 26.528 22.040 -22.303 326 2HG2 THR 46 2HG2 THR 46 26.233 21.155 -20.806 327 3HG2 THR 46 3HG2 THR 46 24.973 21.251 -22.036 328 H TYR 47 H TYR 47 24.551 25.661 -22.122 329 HA TYR 47 HA TYR 47 23.661 27.140 -19.884 330 1HB TYR 47 1HB TYR 47 24.620 29.313 -20.366 331 2HB TYR 47 2HB TYR 47 25.919 28.148 -20.126 332 HD1 TYR 47 HD1 TYR 47 23.977 29.920 -22.748 333 HD2 TYR 47 HD2 TYR 47 27.544 27.810 -21.790 334 HE1 TYR 47 HE1 TYR 47 24.923 30.541 -24.930 335 HE2 TYR 47 HE2 TYR 47 28.501 28.425 -23.970 336 HH TYR 47 HH TYR 47 26.858 30.652 -26.135 337 H GLY 48 H GLY 48 21.727 28.031 -20.333 338 1HA GLY 48 1HA GLY 48 19.882 28.701 -21.520 339 2HA GLY 48 2HA GLY 48 20.992 29.199 -22.789 340 H GLY 49 H GLY 49 19.882 28.474 -24.545 341 1HA GLY 49 1HA GLY 49 19.410 26.898 -26.170 342 2HA GLY 49 2HA GLY 49 20.021 25.656 -25.089 343 H ASN 50 H ASN 50 18.207 24.387 -25.891 344 HA ASN 50 HA ASN 50 15.531 25.199 -25.232 345 1HB ASN 50 2HB ASN 50 14.833 23.115 -26.156 346 2HB ASN 50 1HB ASN 50 16.433 22.409 -25.949 347 2HD2 ASN 50 1HD2 ASN 50 14.676 22.813 -28.325 348 1HD2 ASN 50 2HD2 ASN 50 15.676 23.618 -29.480 349 H SER 51 H SER 51 18.091 23.842 -23.504 350 HA SER 51 HA SER 51 16.266 23.139 -21.317 351 1HB SER 51 1HB SER 51 18.260 21.378 -22.636 352 2HB SER 51 2HB SER 51 18.185 21.306 -20.875 353 HG SER 51 HG SER 51 16.748 19.842 -22.058 354 H ASN 52 H ASN 52 17.538 25.547 -21.518 355 HA ASN 52 HA ASN 52 19.319 26.843 -20.738 356 1HB ASN 52 1HB ASN 52 18.503 25.935 -18.070 357 2HB ASN 52 2HB ASN 52 18.560 27.557 -18.736 358 2HD2 ASN 52 1HD2 ASN 52 16.801 28.345 -19.880 359 1HD2 ASN 52 2HD2 ASN 52 15.245 27.595 -19.807 360 H GLY 53 H GLY 53 20.572 24.510 -21.476 361 1HA GLY 53 1HA GLY 53 22.513 23.340 -21.114 362 2HA GLY 53 2HA GLY 53 22.903 24.568 -19.921 363 H GLU 54 H GLU 54 21.996 21.336 -20.441 364 HA GLU 54 HA GLU 54 22.036 20.865 -17.558 365 1HB GLU 54 1HB GLU 54 19.983 19.917 -17.399 366 2HB GLU 54 2HB GLU 54 19.637 20.935 -18.788 367 1HG GLU 54 1HG GLU 54 19.906 19.121 -20.290 368 2HG GLU 54 2HG GLU 54 20.562 18.086 -19.025 369 HA PRO 55 HA PRO 55 24.511 17.276 -18.083 370 1HB PRO 55 2HB PRO 55 23.800 15.534 -16.744 371 2HB PRO 55 1HB PRO 55 22.162 15.559 -17.406 372 1HG PRO 55 1HG PRO 55 21.789 16.619 -15.372 373 2HG PRO 55 2HG PRO 55 23.408 17.339 -15.348 374 1HD PRO 55 1HD PRO 55 20.947 18.259 -16.736 375 2HD PRO 55 2HD PRO 55 22.299 19.205 -16.084 376 H CYS 56 H CYS 56 24.871 17.211 -20.282 377 HA CYS 56 HA CYS 56 23.057 16.570 -22.277 378 1HB CYS 56 2HB CYS 56 24.926 16.228 -23.719 379 2HB CYS 56 1HB CYS 56 25.981 15.827 -22.368 380 H VAL 57 H VAL 57 22.911 14.610 -23.600 381 HA VAL 57 HA VAL 57 23.253 12.171 -21.984 382 HB VAL 57 HB VAL 57 20.874 12.899 -22.242 383 1HG1 VAL 57 1HG1 VAL 57 21.409 13.633 -24.702 384 2HG1 VAL 57 2HG1 VAL 57 20.936 11.974 -25.069 385 3HG1 VAL 57 3HG1 VAL 57 19.805 13.053 -24.257 386 1HG2 VAL 57 1HG2 VAL 57 21.707 10.263 -23.444 387 2HG2 VAL 57 2HG2 VAL 57 21.329 10.599 -21.754 388 3HG2 VAL 57 3HG2 VAL 57 20.053 10.655 -22.970 389 H LEU 58 H LEU 58 25.375 12.204 -23.178 390 HA LEU 58 HA LEU 58 25.071 11.089 -25.885 391 1HB LEU 58 1HB LEU 58 27.739 11.611 -25.648 392 2HB LEU 58 2HB LEU 58 26.567 12.669 -26.404 393 HG LEU 58 HG LEU 58 28.022 13.896 -24.875 394 1HD1 LEU 58 1HD1 LEU 58 25.213 13.954 -24.910 395 2HD1 LEU 58 2HD1 LEU 58 25.705 14.197 -23.236 396 3HD1 LEU 58 3HD1 LEU 58 26.324 15.260 -24.499 397 1HD2 LEU 58 1HD2 LEU 58 27.476 11.649 -23.157 398 2HD2 LEU 58 2HD2 LEU 58 28.712 12.898 -23.015 399 3HD2 LEU 58 3HD2 LEU 58 27.103 13.168 -22.344 400 HA PRO 59 HA PRO 59 27.364 10.405 -27.124 401 1HB PRO 59 1HB PRO 59 27.220 8.092 -28.567 402 2HB PRO 59 2HB PRO 59 28.672 8.615 -27.711 403 1HG PRO 59 1HG PRO 59 26.592 6.636 -26.877 404 2HG PRO 59 2HG PRO 59 28.357 6.538 -26.726 405 1HD PRO 59 1HD PRO 59 26.779 7.199 -24.647 406 2HD PRO 59 2HD PRO 59 28.398 7.892 -24.855 407 H PHE 60 H PHE 60 25.861 11.350 -28.349 408 HA PHE 60 HA PHE 60 23.234 10.038 -28.591 409 1HB PHE 60 1HB PHE 60 22.461 12.385 -29.251 410 2HB PHE 60 2HB PHE 60 22.890 12.136 -27.565 411 HD1 PHE 60 HD1 PHE 60 24.047 13.553 -30.767 412 HD2 PHE 60 HD2 PHE 60 24.646 13.344 -26.562 413 HE1 PHE 60 HE1 PHE 60 25.626 15.435 -30.903 414 HE2 PHE 60 HE2 PHE 60 26.226 15.226 -26.687 415 HZ PHE 60 HZ PHE 60 26.715 16.273 -28.861 416 H THR 61 H THR 61 22.076 10.710 -30.698 417 HA THR 61 HA THR 61 24.026 10.550 -32.902 418 HB THR 61 HB THR 61 21.398 9.523 -33.600 419 HG1 THR 61 HG1 THR 61 22.087 7.491 -32.281 420 1HG2 THR 61 1HG2 THR 61 24.194 8.382 -33.644 421 2HG2 THR 61 2HG2 THR 61 22.785 7.603 -34.365 422 3HG2 THR 61 3HG2 THR 61 23.346 9.159 -34.982 423 H TYR 62 H TYR 62 23.970 12.148 -34.311 424 HA TYR 62 HA TYR 62 21.447 13.575 -34.759 425 1HB TYR 62 1HB TYR 62 22.615 15.009 -33.244 426 2HB TYR 62 2HB TYR 62 24.125 14.821 -34.132 427 HD1 TYR 62 HD1 TYR 62 20.620 15.981 -34.718 428 HD2 TYR 62 HD2 TYR 62 24.757 16.534 -35.541 429 HE1 TYR 62 HE1 TYR 62 20.084 17.985 -36.039 430 HE2 TYR 62 HE2 TYR 62 24.232 18.539 -36.863 431 HH TYR 62 HH TYR 62 21.219 19.273 -37.975 432 H ASN 63 H ASN 63 20.968 13.623 -36.845 433 HA ASN 63 HA ASN 63 21.169 13.732 -39.112 434 1HB ASN 63 1HB ASN 63 23.246 15.291 -38.226 435 2HB ASN 63 2HB ASN 63 24.077 14.109 -39.234 436 2HD2 ASN 63 1HD2 ASN 63 21.435 16.432 -39.192 437 1HD2 ASN 63 2HD2 ASN 63 21.487 16.797 -40.879 438 H GLY 64 H GLY 64 22.375 11.435 -37.199 439 1HA GLY 64 1HA GLY 64 22.327 9.162 -38.102 440 2HA GLY 64 2HA GLY 64 23.202 9.774 -39.498 441 H ARG 65 H ARG 65 24.819 11.437 -37.468 442 HA ARG 65 HA ARG 65 26.799 9.344 -36.991 443 1HB ARG 65 1HB ARG 65 28.326 11.270 -36.513 444 2HB ARG 65 2HB ARG 65 27.657 11.262 -38.138 445 1HG ARG 65 1HG ARG 65 26.060 12.775 -36.220 446 2HG ARG 65 2HG ARG 65 27.693 13.402 -36.451 447 1HD ARG 65 1HD ARG 65 27.302 13.371 -38.900 448 2HD ARG 65 2HD ARG 65 25.637 12.881 -38.595 449 HE ARG 65 HE ARG 65 25.728 15.107 -37.180 450 1HH1 ARG 65 1HH1 ARG 65 26.978 14.459 -40.369 451 2HH1 ARG 65 2HH1 ARG 65 26.812 16.096 -40.906 452 1HH2 ARG 65 1HH2 ARG 65 25.506 17.263 -37.880 453 2HH2 ARG 65 2HH2 ARG 65 25.977 17.690 -39.491 454 H THR 66 H THR 66 28.237 10.354 -34.898 455 HA THR 66 HA THR 66 26.339 10.599 -32.675 456 HB THR 66 HB THR 66 28.638 8.634 -32.713 457 HG1 THR 66 HG1 THR 66 26.742 7.995 -33.924 458 1HG2 THR 66 1HG2 THR 66 28.210 9.645 -30.493 459 2HG2 THR 66 2HG2 THR 66 26.534 9.110 -30.599 460 3HG2 THR 66 3HG2 THR 66 27.836 7.924 -30.535 461 H PHE 67 H PHE 67 27.321 11.355 -30.671 462 HA PHE 67 HA PHE 67 29.957 12.576 -30.921 463 1HB PHE 67 1HB PHE 67 27.631 14.248 -29.998 464 2HB PHE 67 2HB PHE 67 29.253 14.779 -30.426 465 HD1 PHE 67 HD1 PHE 67 26.326 13.041 -31.957 466 HD2 PHE 67 HD2 PHE 67 29.571 15.747 -32.480 467 HE1 PHE 67 HE1 PHE 67 25.569 13.501 -34.253 468 HE2 PHE 67 HE2 PHE 67 28.819 16.211 -34.775 469 HZ PHE 67 HZ PHE 67 26.817 15.087 -35.664 470 H TYR 68 H TYR 68 31.034 12.818 -29.010 471 HA TYR 68 HA TYR 68 29.809 11.544 -26.681 472 1HB TYR 68 1HB TYR 68 32.672 12.228 -27.357 473 2HB TYR 68 2HB TYR 68 32.178 11.514 -25.828 474 HD1 TYR 68 HD1 TYR 68 29.941 9.881 -27.470 475 HD2 TYR 68 HD2 TYR 68 34.170 10.248 -27.653 476 HE1 TYR 68 HE1 TYR 68 30.080 7.640 -28.470 477 HE2 TYR 68 HE2 TYR 68 34.330 8.015 -28.659 478 HH TYR 68 HH TYR 68 33.038 5.961 -28.810 479 H SER 69 H SER 69 29.220 14.319 -27.536 480 HA SER 69 HA SER 69 28.782 15.620 -25.245 481 1HB SER 69 1HB SER 69 31.678 15.726 -25.882 482 2HB SER 69 2HB SER 69 30.938 17.244 -25.373 483 HG SER 69 HG SER 69 30.922 14.780 -23.965 484 H CYS 70 H CYS 70 29.390 18.242 -25.604 485 HA CYS 70 HA CYS 70 27.604 19.159 -27.451 486 1HB CYS 70 2HB CYS 70 28.487 21.315 -27.116 487 2HB CYS 70 1HB CYS 70 30.113 20.704 -26.846 488 H THR 71 H THR 71 28.314 20.741 -29.327 489 HA THR 71 HA THR 71 30.551 20.246 -30.898 490 HB THR 71 HB THR 71 29.696 17.943 -31.087 491 HG1 THR 71 HG1 THR 71 30.733 18.335 -32.921 492 1HG2 THR 71 1HG2 THR 71 27.280 19.312 -32.271 493 2HG2 THR 71 2HG2 THR 71 27.619 17.592 -32.459 494 3HG2 THR 71 3HG2 THR 71 27.335 18.263 -30.853 495 H THR 72 H THR 72 30.136 20.852 -33.275 496 HA THR 72 HA THR 72 27.918 22.776 -33.471 497 HB THR 72 HB THR 72 29.455 24.314 -34.714 498 HG1 THR 72 HG1 THR 72 31.312 22.345 -33.908 499 1HG2 THR 72 1HG2 THR 72 30.078 23.664 -31.836 500 2HG2 THR 72 2HG2 THR 72 30.666 25.110 -32.659 501 3HG2 THR 72 3HG2 THR 72 28.935 24.859 -32.447 502 H GLU 73 H GLU 73 27.637 20.313 -34.513 503 HA GLU 73 HA GLU 73 28.362 20.476 -37.351 504 1HB GLU 73 1HB GLU 73 27.778 18.287 -35.461 505 2HB GLU 73 2HB GLU 73 27.170 18.060 -37.094 506 1HG GLU 73 1HG GLU 73 30.025 18.784 -36.506 507 2HG GLU 73 2HG GLU 73 29.456 17.117 -36.600 508 H GLY 74 H GLY 74 26.035 21.776 -35.702 509 1HA GLY 74 1HA GLY 74 24.128 21.588 -37.866 510 2HA GLY 74 2HA GLY 74 23.560 20.896 -36.354 511 H ARG 75 H ARG 75 25.665 23.686 -36.698 512 HA ARG 75 HA ARG 75 23.617 25.311 -35.369 513 1HB ARG 75 1HB ARG 75 26.613 25.384 -35.428 514 2HB ARG 75 2HB ARG 75 25.709 26.827 -35.023 515 1HG ARG 75 1HG ARG 75 26.047 24.313 -33.500 516 2HG ARG 75 2HG ARG 75 26.088 25.985 -32.945 517 1HD ARG 75 2HD ARG 75 24.115 25.010 -32.058 518 2HD ARG 75 1HD ARG 75 23.680 24.310 -33.617 519 HE ARG 75 HE ARG 75 23.738 26.984 -34.098 520 1HH1 ARG 75 1HH1 ARG 75 22.113 24.967 -31.770 521 2HH1 ARG 75 2HH1 ARG 75 20.739 26.013 -31.630 522 1HH2 ARG 75 1HH2 ARG 75 21.935 28.368 -33.922 523 2HH2 ARG 75 2HH2 ARG 75 20.637 27.947 -32.855 524 H GLN 76 H GLN 76 23.737 27.684 -35.921 525 HA GLN 76 HA GLN 76 23.929 27.970 -38.841 526 1HB GLN 76 1HB GLN 76 22.273 29.497 -36.825 527 2HB GLN 76 2HB GLN 76 22.369 29.898 -38.534 528 1HG GLN 76 1HG GLN 76 21.684 27.306 -38.705 529 2HG GLN 76 2HG GLN 76 20.923 27.727 -37.172 530 2HE2 GLN 76 1HE2 GLN 76 20.091 27.234 -40.133 531 1HE2 GLN 76 2HE2 GLN 76 18.931 28.484 -40.409 532 H ASP 77 H ASP 77 25.781 28.508 -36.282 533 HA ASP 77 HA ASP 77 27.073 30.808 -37.516 534 1HB ASP 77 1HB ASP 77 25.473 31.540 -35.624 535 2HB ASP 77 2HB ASP 77 26.655 30.814 -34.538 536 H GLY 78 H GLY 78 27.315 28.863 -34.543 537 1HA GLY 78 1HA GLY 78 29.314 27.164 -35.052 538 2HA GLY 78 2HA GLY 78 30.195 28.674 -34.891 539 H HIS 79 H HIS 79 27.346 27.658 -33.073 540 HA HIS 79 HA HIS 79 28.900 27.971 -30.606 541 1HB HIS 79 1HB HIS 79 25.932 27.600 -30.613 542 2HB HIS 79 2HB HIS 79 26.939 28.538 -29.515 543 HD1 HIS 79 HD1 HIS 79 24.363 29.295 -31.537 544 HD2 HIS 79 HD2 HIS 79 28.307 30.601 -31.612 545 HE1 HIS 79 HE1 HIS 79 24.324 31.481 -32.779 546 HE2 HIS 79 HE2 HIS 79 26.709 32.295 -32.735 547 H LEU 80 H LEU 80 29.355 26.302 -29.305 548 HA LEU 80 HA LEU 80 28.908 23.639 -30.175 549 1HB LEU 80 1HB LEU 80 30.086 24.913 -27.737 550 2HB LEU 80 2HB LEU 80 29.720 23.199 -27.706 551 HG LEU 80 HG LEU 80 31.161 22.939 -29.753 552 1HD1 LEU 80 1HD1 LEU 80 31.018 25.674 -29.873 553 2HD1 LEU 80 2HD1 LEU 80 32.627 25.399 -29.208 554 3HD1 LEU 80 3HD1 LEU 80 32.171 24.665 -30.746 555 1HD2 LEU 80 1HD2 LEU 80 31.911 22.434 -27.440 556 2HD2 LEU 80 2HD2 LEU 80 33.218 22.929 -28.514 557 3HD2 LEU 80 3HD2 LEU 80 32.566 24.068 -27.336 558 H TRP 81 H TRP 81 27.290 22.263 -29.745 559 HA TRP 81 HA TRP 81 25.501 22.837 -27.491 560 1HB TRP 81 1HB TRP 81 23.538 22.323 -28.909 561 2HB TRP 81 2HB TRP 81 24.395 23.765 -29.446 562 HD1 TRP 81 HD1 TRP 81 25.576 23.682 -31.814 563 HE1 TRP 81 HE1 TRP 81 25.402 22.049 -33.796 564 HE3 TRP 81 HE3 TRP 81 23.208 19.805 -29.469 565 HZ2 TRP 81 HZ2 TRP 81 24.392 19.464 -34.300 566 HZ3 TRP 81 HZ3 TRP 81 22.673 17.789 -30.774 567 HH2 TRP 81 HH2 TRP 81 23.253 17.624 -33.140 568 H CYS 82 H CYS 82 24.333 21.038 -26.700 569 HA CYS 82 HA CYS 82 25.219 18.412 -27.676 570 1HB CYS 82 1HB CYS 82 25.796 17.640 -25.540 571 2HB CYS 82 2HB CYS 82 26.461 19.270 -25.575 572 H SER 83 H SER 83 23.844 16.629 -26.585 573 HA SER 83 HA SER 83 21.048 17.533 -26.682 574 1HB SER 83 1HB SER 83 20.724 15.796 -28.057 575 2HB SER 83 2HB SER 83 22.414 15.326 -27.879 576 HG SER 83 HG SER 83 21.762 13.712 -26.727 577 H THR 84 H THR 84 19.537 16.793 -25.147 578 HA THR 84 HA THR 84 20.758 15.889 -22.623 579 HB THR 84 HB THR 84 19.265 17.174 -21.398 580 HG1 THR 84 HG1 THR 84 17.285 16.696 -22.183 581 1HG2 THR 84 1HG2 THR 84 20.815 18.490 -23.058 582 2HG2 THR 84 2HG2 THR 84 19.281 18.966 -23.787 583 3HG2 THR 84 3HG2 THR 84 19.610 19.346 -22.096 584 H THR 85 H THR 85 18.340 15.258 -25.007 585 HA THR 85 HA THR 85 17.288 13.038 -23.377 586 HB THR 85 HB THR 85 15.960 14.487 -25.677 587 HG1 THR 85 HG1 THR 85 16.091 15.429 -23.417 588 1HG2 THR 85 1HG2 THR 85 15.470 11.886 -24.494 589 2HG2 THR 85 2HG2 THR 85 14.071 12.948 -24.339 590 3HG2 THR 85 3HG2 THR 85 14.757 12.621 -25.930 591 H SER 86 H SER 86 17.686 11.025 -24.046 592 HA SER 86 HA SER 86 19.470 10.265 -25.927 593 1HB SER 86 2HB SER 86 17.555 8.945 -24.330 594 2HB SER 86 1HB SER 86 18.915 8.223 -25.188 595 HG SER 86 HG SER 86 17.118 7.205 -25.938 596 H ASN 87 H ASN 87 16.154 11.190 -26.482 597 HA ASN 87 HA ASN 87 16.502 10.676 -29.362 598 1HB ASN 87 1HB ASN 87 14.421 9.919 -27.662 599 2HB ASN 87 2HB ASN 87 13.781 11.297 -28.552 600 2HD2 ASN 87 1HD2 ASN 87 15.237 10.890 -30.942 601 1HD2 ASN 87 2HD2 ASN 87 14.601 9.481 -31.711 602 H TYR 88 H TYR 88 17.677 12.684 -29.578 603 HA TYR 88 HA TYR 88 16.373 15.168 -28.956 604 1HB TYR 88 1HB TYR 88 18.693 15.353 -28.851 605 2HB TYR 88 2HB TYR 88 18.935 14.393 -30.307 606 HD1 TYR 88 HD1 TYR 88 18.140 17.722 -28.996 607 HD2 TYR 88 HD2 TYR 88 18.803 15.407 -32.502 608 HE1 TYR 88 HE1 TYR 88 18.356 19.788 -30.312 609 HE2 TYR 88 HE2 TYR 88 19.022 17.466 -33.828 610 HH TYR 88 HH TYR 88 18.760 20.667 -32.307 611 H GLU 89 H GLU 89 16.487 13.001 -31.636 612 HA GLU 89 HA GLU 89 15.697 14.897 -33.629 613 1HB GLU 89 1HB GLU 89 15.800 11.890 -33.549 614 2HB GLU 89 2HB GLU 89 15.152 12.758 -34.933 615 1HG GLU 89 1HG GLU 89 17.577 13.991 -34.464 616 2HG GLU 89 2HG GLU 89 17.899 12.285 -34.156 617 H GLN 90 H GLN 90 14.076 13.509 -31.069 618 HA GLN 90 HA GLN 90 11.481 13.909 -32.401 619 1HB GLN 90 1HB GLN 90 10.569 12.055 -31.409 620 2HB GLN 90 2HB GLN 90 12.232 11.512 -31.583 621 1HG GLN 90 2HG GLN 90 12.240 12.760 -29.138 622 2HG GLN 90 1HG GLN 90 12.149 11.023 -29.422 623 2HE2 GLN 90 1HE2 GLN 90 10.717 13.579 -27.902 624 1HE2 GLN 90 2HE2 GLN 90 9.149 12.905 -27.632 625 H ASP 91 H ASP 91 13.451 14.441 -29.577 626 HA ASP 91 HA ASP 91 11.304 15.840 -28.191 627 1HB ASP 91 1HB ASP 91 13.580 14.419 -27.354 628 2HB ASP 91 2HB ASP 91 13.895 16.101 -26.937 629 H GLN 92 H GLN 92 14.551 16.547 -29.457 630 HA GLN 92 HA GLN 92 15.303 18.459 -30.498 631 1HB GLN 92 1HB GLN 92 12.604 18.860 -30.638 632 2HB GLN 92 2HB GLN 92 13.108 20.227 -29.654 633 1HG GLN 92 2HG GLN 92 14.953 20.209 -31.693 634 2HG GLN 92 1HG GLN 92 13.547 21.265 -31.563 635 2HE2 GLN 92 1HE2 GLN 92 14.675 18.195 -32.861 636 1HE2 GLN 92 2HE2 GLN 92 13.555 18.129 -34.175 637 H LYS 93 H LYS 93 15.314 17.665 -27.554 638 HA LYS 93 HA LYS 93 15.756 20.233 -26.258 639 1HB LYS 93 1HB LYS 93 16.153 17.498 -25.052 640 2HB LYS 93 2HB LYS 93 15.904 19.021 -24.210 641 1HG LYS 93 1HG LYS 93 13.954 17.172 -25.395 642 2HG LYS 93 2HG LYS 93 13.800 18.262 -24.016 643 1HD LYS 93 1HD LYS 93 13.904 20.083 -25.961 644 2HD LYS 93 2HD LYS 93 13.248 18.738 -26.893 645 1HE LYS 93 1HE LYS 93 11.504 18.490 -25.090 646 2HE LYS 93 2HE LYS 93 12.088 20.015 -24.425 647 1HZ LYS 93 1HZ LYS 93 11.627 20.338 -27.176 648 2HZ LYS 93 2HZ LYS 93 10.252 19.635 -26.487 649 3HZ LYS 93 3HZ LYS 93 10.848 21.098 -25.882 650 H TYR 94 H TYR 94 17.630 21.179 -26.692 651 HA TYR 94 HA TYR 94 20.089 19.597 -26.400 652 1HB TYR 94 2HB TYR 94 19.463 20.083 -28.831 653 2HB TYR 94 1HB TYR 94 21.085 20.546 -28.322 654 HD1 TYR 94 HD1 TYR 94 21.291 23.035 -27.448 655 HD2 TYR 94 HD2 TYR 94 18.206 21.624 -30.013 656 HE1 TYR 94 HE1 TYR 94 20.884 25.336 -28.212 657 HE2 TYR 94 HE2 TYR 94 17.790 23.921 -30.786 658 HH TYR 94 HH TYR 94 18.270 26.383 -29.579 659 H SER 95 H SER 95 22.018 20.963 -26.010 660 HA SER 95 HA SER 95 21.338 23.476 -24.636 661 1HB SER 95 1HB SER 95 23.594 22.439 -23.335 662 2HB SER 95 2HB SER 95 21.951 22.522 -22.700 663 HG SER 95 HG SER 95 21.753 20.446 -22.961 664 H PHE 96 H PHE 96 23.841 24.317 -23.937 665 HA PHE 96 HA PHE 96 25.204 24.557 -26.539 666 1HB PHE 96 1HB PHE 96 24.554 26.593 -24.446 667 2HB PHE 96 2HB PHE 96 26.001 26.810 -25.427 668 HD1 PHE 96 HD1 PHE 96 25.156 25.856 -28.042 669 HD2 PHE 96 HD2 PHE 96 23.034 28.169 -25.170 670 HE1 PHE 96 HE1 PHE 96 23.789 26.827 -29.842 671 HE2 PHE 96 HE2 PHE 96 21.662 29.145 -26.964 672 HZ PHE 96 HZ PHE 96 22.038 28.473 -29.303 673 H CYS 97 H CYS 97 27.511 25.712 -25.938 674 HA CYS 97 HA CYS 97 28.770 24.484 -23.649 675 1HB CYS 97 1HB CYS 97 28.738 23.065 -26.081 676 2HB CYS 97 2HB CYS 97 30.359 23.734 -25.932 677 H THR 98 H THR 98 29.389 26.524 -23.033 678 HA THR 98 HA THR 98 30.423 28.561 -24.555 679 HB THR 98 HB THR 98 30.095 29.275 -22.411 680 HG1 THR 98 HG1 THR 98 32.335 29.280 -21.360 681 1HG2 THR 98 1HG2 THR 98 30.790 26.523 -21.744 682 2HG2 THR 98 2HG2 THR 98 31.400 27.690 -20.570 683 3HG2 THR 98 3HG2 THR 98 29.678 27.634 -20.944 684 H ASP 99 H ASP 99 32.319 26.108 -22.813 685 HA ASP 99 HA ASP 99 34.372 25.206 -23.211 686 1HB ASP 99 1HB ASP 99 33.354 25.014 -25.562 687 2HB ASP 99 2HB ASP 99 34.310 26.438 -25.962 688 H HIS 100 H HIS 100 34.299 28.318 -24.953 689 HA HIS 100 HA HIS 100 36.746 29.077 -23.501 690 1HB HIS 100 1HB HIS 100 36.186 29.079 -26.267 691 2HB HIS 100 2HB HIS 100 36.223 30.768 -25.770 692 HD1 HIS 100 HD1 HIS 100 38.489 30.955 -23.878 693 HD2 HIS 100 HD2 HIS 100 38.633 28.502 -27.229 694 HE1 HIS 100 HE1 HIS 100 40.935 30.602 -24.349 695 HE2 HIS 100 HE2 HIS 100 40.995 29.028 -26.315 696 H THR 101 H THR 101 36.621 31.822 -24.263 697 HA THR 101 HA THR 101 34.311 32.714 -22.663 698 HB THR 101 HB THR 101 36.378 33.022 -21.413 699 HG1 THR 101 HG1 THR 101 36.240 35.487 -21.421 700 1HG2 THR 101 1HG2 THR 101 37.730 33.266 -23.634 701 2HG2 THR 101 2HG2 THR 101 37.372 34.983 -23.442 702 3HG2 THR 101 3HG2 THR 101 38.262 34.122 -22.186 No H/Q in entry = 702 Start of MODEL 14 1 H1 TYR 1 H1 TYR 1 48.696 5.613 -45.928 2 H2 TYR 1 H2 TYR 1 48.550 6.755 -47.168 3 H3 TYR 1 H3 TYR 1 50.060 6.079 -46.814 4 HA TYR 1 HA TYR 1 50.091 7.130 -44.664 5 1HB TYR 1 1HB TYR 1 50.957 8.283 -46.705 6 2HB TYR 1 2HB TYR 1 49.400 9.090 -46.865 7 HD1 TYR 1 HD1 TYR 1 51.684 8.461 -43.969 8 HD2 TYR 1 HD2 TYR 1 49.587 11.320 -46.319 9 HE1 TYR 1 HE1 TYR 1 52.464 10.252 -42.476 10 HE2 TYR 1 HE2 TYR 1 50.363 13.120 -44.834 11 HH TYR 1 HH TYR 1 52.124 12.429 -41.875 12 H GLY 2 H GLY 2 49.050 8.135 -43.001 13 1HA GLY 2 1HA GLY 2 47.274 9.631 -42.241 14 2HA GLY 2 2HA GLY 2 46.237 8.906 -43.460 15 H HIS 3 H HIS 3 48.342 7.636 -40.874 16 HA HIS 3 HA HIS 3 46.027 6.101 -39.896 17 1HB HIS 3 1HB HIS 3 48.782 5.252 -40.551 18 2HB HIS 3 2HB HIS 3 48.125 4.611 -39.051 19 HD1 HIS 3 HD1 HIS 3 48.277 3.908 -42.556 20 HD2 HIS 3 HD2 HIS 3 45.457 3.328 -39.560 21 HE1 HIS 3 HE1 HIS 3 46.715 2.145 -43.435 22 HE2 HIS 3 HE2 HIS 3 44.958 1.887 -41.649 23 H CYS 4 H CYS 4 45.534 6.339 -37.798 24 HA CYS 4 HA CYS 4 47.437 7.837 -36.121 25 1HB CYS 4 1HB CYS 4 45.080 8.033 -34.775 26 2HB CYS 4 2HB CYS 4 45.660 9.215 -35.938 27 H VAL 5 H VAL 5 47.558 7.302 -33.867 28 HA VAL 5 HA VAL 5 46.523 4.710 -33.039 29 HB VAL 5 HB VAL 5 49.112 4.511 -32.132 30 1HG1 VAL 5 1HG1 VAL 5 47.360 3.148 -33.975 31 2HG1 VAL 5 2HG1 VAL 5 49.047 3.000 -34.466 32 3HG1 VAL 5 3HG1 VAL 5 48.550 2.487 -32.853 33 1HG2 VAL 5 1HG2 VAL 5 49.803 6.340 -33.633 34 2HG2 VAL 5 2HG2 VAL 5 50.581 4.809 -34.035 35 3HG2 VAL 5 3HG2 VAL 5 49.236 5.399 -35.013 36 H THR 6 H THR 6 47.191 4.268 -30.702 37 HA THR 6 HA THR 6 47.002 6.796 -29.214 38 HB THR 6 HB THR 6 45.868 5.675 -27.496 39 HG1 THR 6 HG1 THR 6 46.655 3.780 -26.978 40 1HG2 THR 6 1HG2 THR 6 45.063 4.639 -30.195 41 2HG2 THR 6 2HG2 THR 6 44.162 4.198 -28.745 42 3HG2 THR 6 3HG2 THR 6 44.301 5.892 -29.213 43 H ASP 7 H ASP 7 48.265 3.526 -28.568 44 HA ASP 7 HA ASP 7 50.788 4.717 -27.687 45 1HB ASP 7 1HB ASP 7 48.807 3.622 -25.933 46 2HB ASP 7 2HB ASP 7 50.230 2.583 -25.903 47 H SER 8 H SER 8 48.975 1.820 -28.534 48 HA SER 8 HA SER 8 50.567 0.733 -30.390 49 1HB SER 8 1HB SER 8 52.545 0.689 -29.133 50 2HB SER 8 2HB SER 8 51.713 0.176 -27.665 51 HG SER 8 HG SER 8 51.600 -1.526 -29.870 52 H GLY 9 H GLY 9 47.895 0.665 -29.495 53 1HA GLY 9 1HA GLY 9 47.501 -2.250 -29.345 54 2HA GLY 9 2HA GLY 9 46.588 -1.182 -28.289 55 H VAL 10 H VAL 10 46.175 0.897 -30.191 56 HA VAL 10 HA VAL 10 44.245 -0.441 -31.971 57 HB VAL 10 HB VAL 10 43.984 2.463 -31.404 58 1HG1 VAL 10 1HG1 VAL 10 42.471 1.160 -32.910 59 2HG1 VAL 10 2HG1 VAL 10 41.924 0.267 -31.490 60 3HG1 VAL 10 3HG1 VAL 10 41.649 2.005 -31.599 61 1HG2 VAL 10 1HG2 VAL 10 43.403 0.316 -29.375 62 2HG2 VAL 10 2HG2 VAL 10 44.437 1.731 -29.186 63 3HG2 VAL 10 3HG2 VAL 10 42.691 1.928 -29.321 64 H VAL 11 H VAL 11 43.840 0.603 -34.052 65 HA VAL 11 HA VAL 11 46.079 2.224 -35.040 66 HB VAL 11 HB VAL 11 45.017 -0.289 -36.330 67 1HG1 VAL 11 1HG1 VAL 11 45.915 2.077 -37.603 68 2HG1 VAL 11 2HG1 VAL 11 47.168 0.852 -37.800 69 3HG1 VAL 11 3HG1 VAL 11 45.519 0.522 -38.333 70 1HG2 VAL 11 1HG2 VAL 11 47.646 0.541 -35.154 71 2HG2 VAL 11 2HG2 VAL 11 46.689 -0.905 -34.830 72 3HG2 VAL 11 3HG2 VAL 11 47.554 -0.744 -36.358 73 H TYR 12 H TYR 12 44.452 3.911 -34.791 74 HA TYR 12 HA TYR 12 42.064 3.888 -36.349 75 1HB TYR 12 1HB TYR 12 43.551 6.190 -35.068 76 2HB TYR 12 2HB TYR 12 41.928 6.287 -35.744 77 HD1 TYR 12 HD1 TYR 12 40.093 4.927 -34.671 78 HD2 TYR 12 HD2 TYR 12 43.921 5.423 -32.885 79 HE1 TYR 12 HE1 TYR 12 39.161 4.238 -32.500 80 HE2 TYR 12 HE2 TYR 12 43.002 4.734 -30.708 81 HH TYR 12 HH TYR 12 40.966 3.273 -29.948 82 H SER 13 H SER 13 41.756 5.993 -37.806 83 HA SER 13 HA SER 13 44.049 6.228 -39.622 84 1HB SER 13 1HB SER 13 41.325 5.221 -40.243 85 2HB SER 13 2HB SER 13 42.062 6.302 -41.424 86 HG SER 13 HG SER 13 43.967 4.788 -41.103 87 H VAL 14 H VAL 14 44.313 8.182 -40.606 88 HA VAL 14 HA VAL 14 43.784 10.508 -39.454 89 HB VAL 14 HB VAL 14 45.133 10.498 -41.418 90 1HG1 VAL 14 1HG1 VAL 14 43.405 8.776 -42.499 91 2HG1 VAL 14 2HG1 VAL 14 42.873 10.247 -43.314 92 3HG1 VAL 14 3HG1 VAL 14 44.547 9.712 -43.465 93 1HG2 VAL 14 1HG2 VAL 14 43.476 12.504 -40.835 94 2HG2 VAL 14 2HG2 VAL 14 44.596 12.564 -42.196 95 3HG2 VAL 14 3HG2 VAL 14 42.904 12.145 -42.463 96 H GLY 15 H GLY 15 41.782 10.571 -38.411 97 1HA GLY 15 1HA GLY 15 39.743 11.785 -38.423 98 2HA GLY 15 2HA GLY 15 39.600 11.472 -40.142 99 H MET 16 H MET 16 40.096 9.292 -37.381 100 HA MET 16 HA MET 16 37.788 7.737 -38.322 101 1HB MET 16 1HB MET 16 40.027 6.611 -38.082 102 2HB MET 16 2HB MET 16 39.907 6.877 -36.348 103 1HG MET 16 2HG MET 16 37.500 5.660 -37.156 104 2HG MET 16 1HG MET 16 38.784 4.989 -36.153 105 1HE MET 16 1HE MET 16 39.584 3.147 -36.389 106 2HE MET 16 2HE MET 16 38.830 2.027 -37.524 107 3HE MET 16 3HE MET 16 40.496 2.548 -37.775 108 H GLN 17 H GLN 17 39.048 9.554 -35.647 109 HA GLN 17 HA GLN 17 38.157 10.242 -33.674 110 1HB GLN 17 1HB GLN 17 35.999 10.196 -35.595 111 2HB GLN 17 2HB GLN 17 35.395 9.876 -33.975 112 1HG GLN 17 1HG GLN 17 37.093 11.988 -33.573 113 2HG GLN 17 2HG GLN 17 36.392 12.344 -35.151 114 2HE2 GLN 17 1HE2 GLN 17 33.876 11.181 -34.762 115 1HE2 GLN 17 2HE2 GLN 17 33.012 12.123 -33.599 116 H TRP 18 H TRP 18 37.723 9.428 -31.695 117 HA TRP 18 HA TRP 18 36.165 7.087 -31.259 118 1HB TRP 18 2HB TRP 18 38.295 6.113 -32.170 119 2HB TRP 18 1HB TRP 18 37.858 5.548 -30.562 120 HD1 TRP 18 HD1 TRP 18 39.359 6.447 -28.496 121 HE1 TRP 18 HE1 TRP 18 41.794 7.276 -28.428 122 HE3 TRP 18 HE3 TRP 18 40.043 7.370 -33.478 123 HZ2 TRP 18 HZ2 TRP 18 43.747 8.204 -30.251 124 HZ3 TRP 18 HZ3 TRP 18 42.221 8.224 -34.231 125 HH2 TRP 18 HH2 TRP 18 44.033 8.631 -32.650 126 H LEU 19 H LEU 19 36.895 6.259 -28.830 127 HA LEU 19 HA LEU 19 37.343 8.640 -27.185 128 1HB LEU 19 1HB LEU 19 34.911 8.364 -27.493 129 2HB LEU 19 2HB LEU 19 35.018 6.752 -26.815 130 HG LEU 19 HG LEU 19 36.136 8.229 -24.816 131 1HD1 LEU 19 1HD1 LEU 19 34.649 10.057 -26.490 132 2HD1 LEU 19 2HD1 LEU 19 33.983 9.978 -24.859 133 3HD1 LEU 19 3HD1 LEU 19 35.678 10.385 -25.098 134 1HD2 LEU 19 1HD2 LEU 19 34.015 6.574 -25.116 135 2HD2 LEU 19 2HD2 LEU 19 34.408 7.424 -23.622 136 3HD2 LEU 19 3HD2 LEU 19 33.203 8.091 -24.724 137 H LYS 20 H LYS 20 38.277 8.267 -25.209 138 HA LYS 20 HA LYS 20 38.960 5.467 -24.590 139 1HB LYS 20 1HB LYS 20 40.756 7.309 -25.477 140 2HB LYS 20 2HB LYS 20 40.882 7.536 -23.739 141 1HG LYS 20 1HG LYS 20 41.178 5.006 -23.601 142 2HG LYS 20 2HG LYS 20 41.441 5.069 -25.346 143 1HD LYS 20 1HD LYS 20 43.588 5.177 -24.374 144 2HD LYS 20 2HD LYS 20 43.208 6.828 -24.869 145 1HE LYS 20 1HE LYS 20 43.617 7.490 -22.789 146 2HE LYS 20 2HE LYS 20 42.218 6.557 -22.261 147 1HZ LYS 20 1HZ LYS 20 44.571 4.956 -22.655 148 2HZ LYS 20 2HZ LYS 20 44.774 6.144 -21.469 149 3HZ LYS 20 3HZ LYS 20 43.517 5.021 -21.333 150 H THR 21 H THR 21 39.658 5.167 -22.289 151 HA THR 21 HA THR 21 38.357 7.055 -20.450 152 HB THR 21 HB THR 21 38.064 4.345 -19.497 153 HG1 THR 21 HG1 THR 21 37.913 4.015 -21.850 154 1HG2 THR 21 1HG2 THR 21 36.488 6.811 -19.796 155 2HG2 THR 21 2HG2 THR 21 35.549 5.318 -19.832 156 3HG2 THR 21 3HG2 THR 21 36.579 5.679 -18.446 157 H GLN 22 H GLN 22 39.157 7.015 -18.296 158 HA GLN 22 HA GLN 22 41.846 5.836 -18.086 159 1HB GLN 22 1HB GLN 22 40.910 8.077 -16.336 160 2HB GLN 22 2HB GLN 22 42.544 7.666 -16.834 161 1HG GLN 22 1HG GLN 22 41.518 8.271 -19.222 162 2HG GLN 22 2HG GLN 22 40.488 9.278 -18.207 163 2HE2 GLN 22 1HE2 GLN 22 42.518 9.699 -16.193 164 1HE2 GLN 22 2HE2 GLN 22 43.662 10.804 -16.868 165 H GLY 23 H GLY 23 38.984 4.884 -17.302 166 1HA GLY 23 1HA GLY 23 38.785 3.055 -15.718 167 2HA GLY 23 2HA GLY 23 39.789 3.978 -14.612 168 H ASN 24 H ASN 24 38.846 6.085 -13.881 169 HA ASN 24 HA ASN 24 35.975 5.716 -13.358 170 1HB ASN 24 1HB ASN 24 38.205 6.362 -11.661 171 2HB ASN 24 2HB ASN 24 37.022 7.665 -11.606 172 2HD2 ASN 24 1HD2 ASN 24 37.753 4.439 -10.720 173 1HD2 ASN 24 2HD2 ASN 24 36.311 4.122 -9.823 174 H LYS 25 H LYS 25 37.760 7.309 -15.472 175 HA LYS 25 HA LYS 25 36.001 9.666 -15.435 176 1HB LYS 25 1HB LYS 25 38.911 9.680 -16.250 177 2HB LYS 25 2HB LYS 25 37.825 11.063 -16.232 178 1HG LYS 25 1HG LYS 25 38.374 11.484 -14.134 179 2HG LYS 25 2HG LYS 25 37.806 9.886 -13.647 180 1HD LYS 25 1HD LYS 25 39.899 8.996 -13.640 181 2HD LYS 25 2HD LYS 25 40.458 10.027 -14.958 182 1HE LYS 25 1HE LYS 25 41.017 11.749 -13.557 183 2HE LYS 25 2HE LYS 25 39.816 11.299 -12.348 184 1HZ LYS 25 1HZ LYS 25 41.369 9.219 -12.122 185 2HZ LYS 25 2HZ LYS 25 42.534 10.281 -12.738 186 3HZ LYS 25 3HZ LYS 25 41.719 10.657 -11.304 187 H GLN 26 H GLN 26 36.159 10.813 -17.675 188 HA GLN 26 HA GLN 26 36.203 8.778 -19.802 189 1HB GLN 26 1HB GLN 26 34.109 10.894 -19.294 190 2HB GLN 26 2HB GLN 26 34.247 10.021 -20.814 191 1HG GLN 26 1HG GLN 26 33.784 7.936 -19.726 192 2HG GLN 26 2HG GLN 26 33.822 8.708 -18.142 193 2HE2 GLN 26 1HE2 GLN 26 32.138 8.826 -21.251 194 1HE2 GLN 26 2HE2 GLN 26 30.592 9.238 -20.598 195 H MET 27 H MET 27 36.707 9.532 -21.902 196 HA MET 27 HA MET 27 37.340 12.270 -22.412 197 1HB MET 27 1HB MET 27 39.310 11.883 -21.143 198 2HB MET 27 2HB MET 27 39.575 10.314 -21.894 199 1HG MET 27 1HG MET 27 39.596 12.778 -23.570 200 2HG MET 27 2HG MET 27 41.005 12.364 -22.595 201 1HE MET 27 1HE MET 27 42.482 10.444 -22.866 202 2HE MET 27 2HE MET 27 41.283 9.156 -22.766 203 3HE MET 27 3HE MET 27 42.413 9.206 -24.119 204 H LEU 28 H LEU 28 37.548 12.677 -24.590 205 HA LEU 28 HA LEU 28 37.185 10.344 -26.351 206 1HB LEU 28 1HB LEU 28 35.329 11.840 -26.476 207 2HB LEU 28 2HB LEU 28 36.381 13.232 -26.651 208 HG LEU 28 HG LEU 28 37.034 11.564 -28.798 209 1HD1 LEU 28 1HD1 LEU 28 35.000 10.280 -28.391 210 2HD1 LEU 28 2HD1 LEU 28 34.046 11.759 -28.469 211 3HD1 LEU 28 3HD1 LEU 28 34.895 11.182 -29.902 212 1HD2 LEU 28 1HD2 LEU 28 36.141 14.212 -28.288 213 2HD2 LEU 28 2HD2 LEU 28 36.969 13.583 -29.712 214 3HD2 LEU 28 3HD2 LEU 28 35.207 13.564 -29.635 215 H CYS 29 H CYS 29 38.711 9.842 -27.793 216 HA CYS 29 HA CYS 29 40.872 11.788 -28.266 217 1HB CYS 29 1HB CYS 29 40.810 8.853 -27.902 218 2HB CYS 29 2HB CYS 29 41.917 9.445 -29.135 219 H THR 30 H THR 30 41.467 12.326 -30.336 220 HA THR 30 HA THR 30 40.193 10.940 -32.577 221 HB THR 30 HB THR 30 40.012 13.936 -32.194 222 HG1 THR 30 HG1 THR 30 38.396 11.965 -31.413 223 1HG2 THR 30 1HG2 THR 30 39.345 12.134 -34.506 224 2HG2 THR 30 2HG2 THR 30 38.568 13.704 -34.299 225 3HG2 THR 30 3HG2 THR 30 40.318 13.606 -34.499 226 H CYS 31 H CYS 31 41.236 11.229 -34.583 227 HA CYS 31 HA CYS 31 43.899 12.456 -34.378 228 1HB CYS 31 1HB CYS 31 44.652 10.798 -36.067 229 2HB CYS 31 2HB CYS 31 44.142 10.065 -34.552 230 H LEU 32 H LEU 32 43.849 14.313 -35.389 231 HA LEU 32 HA LEU 32 42.062 14.841 -37.577 232 1HB LEU 32 1HB LEU 32 43.643 17.014 -37.558 233 2HB LEU 32 2HB LEU 32 42.280 16.800 -36.478 234 HG LEU 32 HG LEU 32 44.923 15.795 -35.556 235 1HD1 LEU 32 1HD1 LEU 32 45.006 18.225 -36.631 236 2HD1 LEU 32 2HD1 LEU 32 44.365 18.652 -35.043 237 3HD1 LEU 32 3HD1 LEU 32 45.901 17.794 -35.172 238 1HD2 LEU 32 1HD2 LEU 32 42.771 15.576 -34.279 239 2HD2 LEU 32 2HD2 LEU 32 44.076 16.386 -33.412 240 3HD2 LEU 32 3HD2 LEU 32 42.767 17.333 -34.119 241 H GLY 33 H GLY 33 45.323 16.081 -37.745 242 1HA GLY 33 1HA GLY 33 45.937 14.297 -39.990 243 2HA GLY 33 2HA GLY 33 45.923 16.029 -40.281 244 H ASN 34 H ASN 34 47.102 17.005 -38.023 245 HA ASN 34 HA ASN 34 49.861 16.304 -38.500 246 1HB ASN 34 1HB ASN 34 50.331 18.152 -36.886 247 2HB ASN 34 2HB ASN 34 49.324 18.645 -38.244 248 2HD2 ASN 34 1HD2 ASN 34 49.683 18.773 -34.966 249 1HD2 ASN 34 2HD2 ASN 34 48.069 19.201 -34.523 250 H GLY 35 H GLY 35 47.411 15.483 -36.252 251 1HA GLY 35 1HA GLY 35 48.978 13.501 -34.997 252 2HA GLY 35 2HA GLY 35 48.892 14.910 -33.951 253 H VAL 36 H VAL 36 47.785 13.559 -32.423 254 HA VAL 36 HA VAL 36 44.941 13.211 -33.093 255 HB VAL 36 HB VAL 36 46.646 11.424 -31.355 256 1HG1 VAL 36 1HG1 VAL 36 44.242 11.957 -30.558 257 2HG1 VAL 36 2HG1 VAL 36 43.746 10.948 -31.916 258 3HG1 VAL 36 3HG1 VAL 36 44.761 10.275 -30.641 259 1HG2 VAL 36 1HG2 VAL 36 45.609 11.267 -34.098 260 2HG2 VAL 36 2HG2 VAL 36 47.007 10.483 -33.363 261 3HG2 VAL 36 3HG2 VAL 36 45.393 9.812 -33.125 262 H SER 37 H SER 37 43.681 14.508 -31.969 263 HA SER 37 HA SER 37 44.611 15.458 -29.343 264 1HB SER 37 1HB SER 37 44.376 17.354 -30.721 265 2HB SER 37 2HB SER 37 42.896 16.742 -31.458 266 HG SER 37 HG SER 37 42.211 18.218 -30.011 267 H CYS 38 H CYS 38 43.374 15.172 -27.570 268 HA CYS 38 HA CYS 38 40.736 13.919 -27.955 269 1HB CYS 38 2HB CYS 38 41.132 12.386 -26.243 270 2HB CYS 38 1HB CYS 38 42.436 13.339 -25.552 271 H GLN 39 H GLN 39 39.495 13.990 -25.751 272 HA GLN 39 HA GLN 39 39.832 16.657 -24.555 273 1HB GLN 39 2HB GLN 39 37.563 17.162 -24.744 274 2HB GLN 39 1HB GLN 39 37.107 15.480 -24.982 275 1HG GLN 39 1HG GLN 39 38.736 16.042 -27.145 276 2HG GLN 39 2HG GLN 39 36.976 15.933 -27.143 277 2HE2 GLN 39 1HE2 GLN 39 35.834 17.971 -26.534 278 1HE2 GLN 39 2HE2 GLN 39 36.479 19.454 -27.141 279 H GLU 40 H GLU 40 40.700 15.969 -22.645 280 HA GLU 40 HA GLU 40 39.911 13.711 -21.188 281 1HB GLU 40 1HB GLU 40 40.940 15.002 -19.221 282 2HB GLU 40 2HB GLU 40 41.983 14.631 -20.588 283 1HG GLU 40 1HG GLU 40 42.303 16.785 -21.084 284 2HG GLU 40 2HG GLU 40 40.614 17.205 -20.800 285 H THR 41 H THR 41 38.149 13.289 -20.042 286 HA THR 41 HA THR 41 36.379 13.595 -18.608 287 HB THR 41 HB THR 41 36.854 16.572 -18.790 288 HG1 THR 41 HG1 THR 41 37.794 14.765 -16.796 289 1HG2 THR 41 1HG2 THR 41 35.168 14.792 -17.085 290 2HG2 THR 41 2HG2 THR 41 35.792 16.302 -16.419 291 3HG2 THR 41 3HG2 THR 41 34.762 16.328 -17.851 292 H ALA 42 H ALA 42 36.610 16.033 -21.187 293 HA ALA 42 HA ALA 42 35.159 16.637 -22.837 294 1HB ALA 42 3HB ALA 42 35.035 14.315 -23.418 295 2HB ALA 42 2HB ALA 42 33.408 14.993 -23.500 296 3HB ALA 42 1HB ALA 42 33.883 14.001 -22.120 297 H VAL 43 H VAL 43 32.589 14.956 -21.174 298 HA VAL 43 HA VAL 43 30.557 15.751 -20.460 299 HB VAL 43 HB VAL 43 30.674 17.031 -18.432 300 1HG1 VAL 43 1HG1 VAL 43 32.758 14.958 -18.894 301 2HG1 VAL 43 2HG1 VAL 43 32.754 15.819 -17.355 302 3HG1 VAL 43 3HG1 VAL 43 31.327 14.914 -17.862 303 1HG2 VAL 43 1HG2 VAL 43 32.273 18.738 -19.392 304 2HG2 VAL 43 2HG2 VAL 43 32.553 18.276 -17.713 305 3HG2 VAL 43 3HG2 VAL 43 33.572 17.614 -18.991 306 H THR 44 H THR 44 29.666 18.177 -19.553 307 HA THR 44 HA THR 44 30.293 20.252 -21.464 308 HB THR 44 HB THR 44 28.130 20.422 -22.487 309 HG1 THR 44 HG1 THR 44 26.968 19.593 -20.604 310 1HG2 THR 44 1HG2 THR 44 29.098 17.562 -22.556 311 2HG2 THR 44 2HG2 THR 44 27.997 18.289 -23.725 312 3HG2 THR 44 3HG2 THR 44 29.654 18.880 -23.587 313 H GLN 45 H GLN 45 28.175 21.903 -21.209 314 HA GLN 45 HA GLN 45 27.781 22.223 -18.309 315 1HB GLN 45 1HB GLN 45 28.246 24.541 -20.177 316 2HB GLN 45 2HB GLN 45 28.244 24.551 -18.419 317 1HG GLN 45 1HG GLN 45 30.229 22.760 -19.602 318 2HG GLN 45 2HG GLN 45 30.460 24.463 -19.994 319 2HE2 GLN 45 1HE2 GLN 45 29.144 23.014 -17.059 320 1HE2 GLN 45 2HE2 GLN 45 30.356 23.632 -15.994 321 H THR 46 H THR 46 26.706 23.337 -21.512 322 HA THR 46 HA THR 46 24.633 23.713 -22.369 323 HB THR 46 HB THR 46 22.834 22.431 -21.679 324 HG1 THR 46 HG1 THR 46 23.774 22.111 -19.037 325 1HG2 THR 46 1HG2 THR 46 24.978 21.083 -22.040 326 2HG2 THR 46 2HG2 THR 46 25.012 20.893 -20.288 327 3HG2 THR 46 3HG2 THR 46 23.646 20.272 -21.215 328 H TYR 47 H TYR 47 22.603 24.927 -22.004 329 HA TYR 47 HA TYR 47 22.094 26.386 -19.668 330 1HB TYR 47 1HB TYR 47 22.843 28.639 -20.407 331 2HB TYR 47 2HB TYR 47 24.167 27.538 -20.054 332 HD1 TYR 47 HD1 TYR 47 22.984 26.400 -23.090 333 HD2 TYR 47 HD2 TYR 47 25.056 29.729 -21.436 334 HE1 TYR 47 HE1 TYR 47 23.957 26.877 -25.289 335 HE2 TYR 47 HE2 TYR 47 26.036 30.215 -23.637 336 HH TYR 47 HH TYR 47 25.669 29.793 -25.952 337 H GLY 48 H GLY 48 19.984 26.646 -19.838 338 1HA GLY 48 1HA GLY 48 17.966 27.419 -20.652 339 2HA GLY 48 2HA GLY 48 18.831 28.119 -22.011 340 H GLY 49 H GLY 49 18.526 27.226 -23.949 341 1HA GLY 49 1HA GLY 49 17.939 25.705 -25.571 342 2HA GLY 49 2HA GLY 49 18.246 24.438 -24.391 343 H ASN 50 H ASN 50 16.370 23.443 -25.520 344 HA ASN 50 HA ASN 50 13.774 24.608 -25.065 345 1HB ASN 50 2HB ASN 50 14.347 23.164 -27.051 346 2HB ASN 50 1HB ASN 50 12.887 22.689 -26.188 347 2HD2 ASN 50 1HD2 ASN 50 12.904 20.576 -26.792 348 1HD2 ASN 50 2HD2 ASN 50 14.106 19.446 -26.280 349 H SER 51 H SER 51 15.947 22.766 -23.257 350 HA SER 51 HA SER 51 13.837 21.660 -21.547 351 1HB SER 51 1HB SER 51 15.434 19.988 -22.127 352 2HB SER 51 2HB SER 51 16.787 21.064 -21.779 353 HG SER 51 HG SER 51 15.039 20.618 -19.682 354 H ASN 52 H ASN 52 17.095 22.625 -20.626 355 HA ASN 52 HA ASN 52 16.578 25.052 -19.397 356 1HB ASN 52 1HB ASN 52 15.048 23.447 -18.031 357 2HB ASN 52 2HB ASN 52 16.550 22.917 -17.282 358 2HD2 ASN 52 1HD2 ASN 52 17.653 24.293 -15.925 359 1HD2 ASN 52 2HD2 ASN 52 16.964 25.755 -15.317 360 H GLY 53 H GLY 53 18.295 22.002 -19.287 361 1HA GLY 53 1HA GLY 53 20.799 22.675 -19.746 362 2HA GLY 53 2HA GLY 53 20.647 23.276 -18.102 363 H GLU 54 H GLU 54 19.189 20.357 -19.452 364 HA GLU 54 HA GLU 54 19.985 18.757 -17.265 365 1HB GLU 54 1HB GLU 54 19.068 17.887 -20.010 366 2HB GLU 54 2HB GLU 54 19.119 16.874 -18.576 367 1HG GLU 54 1HG GLU 54 17.157 18.890 -19.399 368 2HG GLU 54 2HG GLU 54 16.953 17.430 -18.435 369 HA PRO 55 HA PRO 55 24.038 17.425 -18.345 370 1HB PRO 55 1HB PRO 55 24.035 14.881 -17.391 371 2HB PRO 55 2HB PRO 55 24.084 16.300 -16.339 372 1HG PRO 55 2HG PRO 55 22.184 15.248 -15.509 373 2HG PRO 55 1HG PRO 55 21.751 14.583 -17.096 374 1HD PRO 55 1HD PRO 55 20.285 16.361 -17.088 375 2HD PRO 55 2HD PRO 55 21.306 17.322 -15.999 376 H CYS 56 H CYS 56 24.263 17.292 -20.534 377 HA CYS 56 HA CYS 56 22.972 15.910 -22.425 378 1HB CYS 56 1HB CYS 56 25.981 16.155 -22.237 379 2HB CYS 56 2HB CYS 56 25.089 15.746 -23.699 380 H VAL 57 H VAL 57 23.134 13.881 -23.464 381 HA VAL 57 HA VAL 57 24.122 11.734 -21.704 382 HB VAL 57 HB VAL 57 21.627 11.869 -22.049 383 1HG1 VAL 57 1HG1 VAL 57 22.268 12.224 -24.683 384 2HG1 VAL 57 2HG1 VAL 57 21.772 10.533 -24.639 385 3HG1 VAL 57 3HG1 VAL 57 20.674 11.789 -24.066 386 1HG2 VAL 57 1HG2 VAL 57 23.028 9.789 -21.472 387 2HG2 VAL 57 2HG2 VAL 57 21.371 9.549 -22.026 388 3HG2 VAL 57 3HG2 VAL 57 22.717 9.295 -23.136 389 H LEU 58 H LEU 58 26.100 12.538 -23.119 390 HA LEU 58 HA LEU 58 26.181 11.064 -25.652 391 1HB LEU 58 1HB LEU 58 28.395 12.274 -25.914 392 2HB LEU 58 2HB LEU 58 26.947 13.258 -25.970 393 HG LEU 58 HG LEU 58 28.972 14.125 -24.644 394 1HD1 LEU 58 1HD1 LEU 58 26.133 14.279 -24.172 395 2HD1 LEU 58 2HD1 LEU 58 27.044 14.538 -22.685 396 3HD1 LEU 58 3HD1 LEU 58 27.358 15.546 -24.098 397 1HD2 LEU 58 1HD2 LEU 58 29.258 11.914 -23.452 398 2HD2 LEU 58 2HD2 LEU 58 29.279 13.356 -22.437 399 3HD2 LEU 58 3HD2 LEU 58 27.836 12.345 -22.504 400 HA PRO 59 HA PRO 59 28.178 10.754 -26.946 401 1HB PRO 59 1HB PRO 59 28.918 8.465 -28.149 402 2HB PRO 59 2HB PRO 59 30.089 9.531 -27.364 403 1HG PRO 59 1HG PRO 59 28.844 7.009 -26.343 404 2HG PRO 59 2HG PRO 59 30.529 7.548 -26.233 405 1HD PRO 59 1HD PRO 59 28.736 7.781 -24.185 406 2HD PRO 59 2HD PRO 59 30.114 8.877 -24.410 407 H PHE 60 H PHE 60 26.419 10.808 -28.198 408 HA PHE 60 HA PHE 60 24.487 8.592 -27.979 409 1HB PHE 60 1HB PHE 60 22.804 10.376 -28.710 410 2HB PHE 60 2HB PHE 60 23.433 10.501 -27.070 411 HD1 PHE 60 HD1 PHE 60 23.839 11.828 -30.505 412 HD2 PHE 60 HD2 PHE 60 24.502 12.443 -26.347 413 HE1 PHE 60 HE1 PHE 60 24.555 14.137 -30.965 414 HE2 PHE 60 HE2 PHE 60 25.219 14.753 -26.798 415 HZ PHE 60 HZ PHE 60 25.246 15.601 -29.110 416 H THR 61 H THR 61 22.848 9.074 -30.063 417 HA THR 61 HA THR 61 24.604 9.104 -32.427 418 HB THR 61 HB THR 61 22.274 7.394 -32.765 419 HG1 THR 61 HG1 THR 61 24.225 6.599 -30.841 420 1HG2 THR 61 1HG2 THR 61 25.252 7.060 -33.093 421 2HG2 THR 61 2HG2 THR 61 24.087 5.797 -33.489 422 3HG2 THR 61 3HG2 THR 61 24.048 7.333 -34.354 423 H TYR 62 H TYR 62 23.940 10.356 -34.056 424 HA TYR 62 HA TYR 62 21.122 11.076 -34.289 425 1HB TYR 62 1HB TYR 62 21.874 12.895 -32.962 426 2HB TYR 62 2HB TYR 62 23.369 13.045 -33.880 427 HD1 TYR 62 HD1 TYR 62 19.670 13.262 -34.376 428 HD2 TYR 62 HD2 TYR 62 23.516 14.711 -35.477 429 HE1 TYR 62 HE1 TYR 62 18.615 14.960 -35.807 430 HE2 TYR 62 HE2 TYR 62 22.471 16.412 -36.912 431 HH TYR 62 HH TYR 62 20.169 17.615 -36.968 432 H ASN 63 H ASN 63 20.470 11.103 -36.344 433 HA ASN 63 HA ASN 63 20.492 11.056 -38.616 434 1HB ASN 63 1HB ASN 63 22.544 12.961 -37.894 435 2HB ASN 63 2HB ASN 63 22.978 12.114 -39.375 436 2HD2 ASN 63 1HD2 ASN 63 22.452 14.810 -39.338 437 1HD2 ASN 63 2HD2 ASN 63 20.990 15.119 -40.203 438 H GLY 64 H GLY 64 22.196 9.146 -36.776 439 1HA GLY 64 1HA GLY 64 22.772 6.944 -37.544 440 2HA GLY 64 2HA GLY 64 23.296 7.654 -39.063 441 H ARG 65 H ARG 65 24.526 9.789 -37.070 442 HA ARG 65 HA ARG 65 27.064 8.338 -36.837 443 1HB ARG 65 1HB ARG 65 28.164 10.476 -36.801 444 2HB ARG 65 2HB ARG 65 27.037 10.456 -38.150 445 1HG ARG 65 1HG ARG 65 25.814 11.502 -35.748 446 2HG ARG 65 2HG ARG 65 27.260 12.403 -36.201 447 1HD ARG 65 1HD ARG 65 25.252 11.711 -38.294 448 2HD ARG 65 2HD ARG 65 24.918 13.044 -37.188 449 HE ARG 65 HE ARG 65 27.516 13.234 -38.339 450 1HH1 ARG 65 1HH1 ARG 65 24.136 13.811 -38.939 451 2HH1 ARG 65 2HH1 ARG 65 24.421 15.063 -40.102 452 1HH2 ARG 65 1HH2 ARG 65 27.906 14.882 -39.872 453 2HH2 ARG 65 2HH2 ARG 65 26.565 15.672 -40.633 454 H THR 66 H THR 66 28.350 9.872 -34.934 455 HA THR 66 HA THR 66 26.658 9.809 -32.553 456 HB THR 66 HB THR 66 29.159 8.149 -32.869 457 HG1 THR 66 HG1 THR 66 26.701 7.253 -31.823 458 1HG2 THR 66 1HG2 THR 66 28.039 9.414 -30.499 459 2HG2 THR 66 2HG2 THR 66 28.148 7.661 -30.345 460 3HG2 THR 66 3HG2 THR 66 29.590 8.605 -30.721 461 H PHE 67 H PHE 67 27.337 11.104 -30.884 462 HA PHE 67 HA PHE 67 29.839 12.593 -31.242 463 1HB PHE 67 2HB PHE 67 28.843 14.689 -31.022 464 2HB PHE 67 1HB PHE 67 27.374 14.028 -30.317 465 HD1 PHE 67 HD1 PHE 67 26.205 12.239 -32.040 466 HD2 PHE 67 HD2 PHE 67 28.574 15.620 -33.080 467 HE1 PHE 67 HE1 PHE 67 25.103 12.333 -34.237 468 HE2 PHE 67 HE2 PHE 67 27.475 15.719 -35.278 469 HZ PHE 67 HZ PHE 67 25.739 14.075 -35.859 470 H TYR 68 H TYR 68 30.975 12.832 -29.401 471 HA TYR 68 HA TYR 68 29.832 11.752 -26.953 472 1HB TYR 68 1HB TYR 68 32.643 12.634 -27.632 473 2HB TYR 68 2HB TYR 68 32.161 11.974 -26.074 474 HD1 TYR 68 HD1 TYR 68 32.083 11.125 -29.710 475 HD2 TYR 68 HD2 TYR 68 32.358 9.699 -25.713 476 HE1 TYR 68 HE1 TYR 68 32.478 8.851 -30.556 477 HE2 TYR 68 HE2 TYR 68 32.762 7.424 -26.547 478 HH TYR 68 HH TYR 68 32.231 6.522 -29.763 479 H SER 69 H SER 69 28.703 14.154 -27.799 480 HA SER 69 HA SER 69 28.504 15.674 -25.556 481 1HB SER 69 1HB SER 69 31.055 16.110 -26.727 482 2HB SER 69 2HB SER 69 30.099 17.566 -27.000 483 HG SER 69 HG SER 69 30.899 17.894 -25.025 484 H CYS 70 H CYS 70 28.378 18.300 -26.600 485 HA CYS 70 HA CYS 70 25.916 18.157 -28.005 486 1HB CYS 70 1HB CYS 70 27.686 20.322 -27.020 487 2HB CYS 70 2HB CYS 70 26.610 20.735 -28.350 488 H THR 71 H THR 71 25.833 19.922 -29.972 489 HA THR 71 HA THR 71 27.901 19.966 -31.845 490 HB THR 71 HB THR 71 27.575 17.510 -31.906 491 HG1 THR 71 HG1 THR 71 27.268 19.208 -34.077 492 1HG2 THR 71 1HG2 THR 71 24.816 18.232 -32.902 493 2HG2 THR 71 2HG2 THR 71 25.519 16.616 -32.948 494 3HG2 THR 71 3HG2 THR 71 25.201 17.395 -31.398 495 H THR 72 H THR 72 27.376 21.246 -33.567 496 HA THR 72 HA THR 72 24.631 22.278 -33.594 497 HB THR 72 HB THR 72 25.728 24.090 -35.085 498 HG1 THR 72 HG1 THR 72 27.881 24.154 -35.124 499 1HG2 THR 72 1HG2 THR 72 26.211 23.755 -32.136 500 2HG2 THR 72 2HG2 THR 72 26.672 25.225 -32.996 501 3HG2 THR 72 3HG2 THR 72 24.981 24.725 -32.946 502 H GLU 73 H GLU 73 24.830 19.833 -34.751 503 HA GLU 73 HA GLU 73 25.066 20.257 -37.642 504 1HB GLU 73 1HB GLU 73 25.010 17.821 -35.889 505 2HB GLU 73 2HB GLU 73 24.691 17.689 -37.612 506 1HG GLU 73 1HG GLU 73 27.176 18.958 -36.496 507 2HG GLU 73 2HG GLU 73 27.054 17.242 -36.886 508 H GLY 74 H GLY 74 22.762 20.914 -35.626 509 1HA GLY 74 1HA GLY 74 20.647 19.846 -37.384 510 2HA GLY 74 2HA GLY 74 20.465 19.814 -35.637 511 H ARG 75 H ARG 75 22.099 22.567 -36.811 512 HA ARG 75 HA ARG 75 19.712 24.141 -37.233 513 1HB ARG 75 1HB ARG 75 20.392 25.771 -35.408 514 2HB ARG 75 2HB ARG 75 19.676 24.257 -34.876 515 1HG ARG 75 1HG ARG 75 22.061 23.414 -34.594 516 2HG ARG 75 2HG ARG 75 22.548 25.103 -34.756 517 1HD ARG 75 2HD ARG 75 22.353 24.794 -32.454 518 2HD ARG 75 1HD ARG 75 20.902 23.809 -32.612 519 HE ARG 75 HE ARG 75 21.061 26.712 -32.650 520 1HH1 ARG 75 1HH1 ARG 75 19.121 23.856 -33.135 521 2HH1 ARG 75 2HH1 ARG 75 17.616 24.701 -32.995 522 1HH2 ARG 75 1HH2 ARG 75 19.083 27.829 -32.467 523 2HH2 ARG 75 2HH2 ARG 75 17.594 26.957 -32.617 524 H GLN 76 H GLN 76 20.137 26.240 -38.055 525 HA GLN 76 HA GLN 76 22.819 26.480 -39.219 526 1HB GLN 76 2HB GLN 76 20.997 26.401 -40.830 527 2HB GLN 76 1HB GLN 76 21.764 27.983 -40.860 528 1HG GLN 76 1HG GLN 76 19.468 27.746 -39.046 529 2HG GLN 76 2HG GLN 76 19.916 29.040 -40.157 530 2HE2 GLN 76 1HE2 GLN 76 19.377 28.804 -42.383 531 1HE2 GLN 76 2HE2 GLN 76 18.053 27.803 -42.863 532 H ASP 77 H ASP 77 22.056 27.288 -36.468 533 HA ASP 77 HA ASP 77 22.465 30.191 -36.650 534 1HB ASP 77 1HB ASP 77 20.506 29.159 -35.314 535 2HB ASP 77 2HB ASP 77 21.735 28.725 -34.129 536 H GLY 78 H GLY 78 23.543 27.351 -34.812 537 1HA GLY 78 1HA GLY 78 25.990 27.008 -34.709 538 2HA GLY 78 2HA GLY 78 26.122 28.733 -34.405 539 H HIS 79 H HIS 79 23.833 26.434 -33.003 540 HA HIS 79 HA HIS 79 24.941 27.091 -30.353 541 1HB HIS 79 2HB HIS 79 22.753 26.718 -29.423 542 2HB HIS 79 1HB HIS 79 22.151 26.097 -30.956 543 HD1 HIS 79 HD1 HIS 79 24.222 29.110 -31.283 544 HD2 HIS 79 HD2 HIS 79 20.202 28.211 -30.741 545 HE1 HIS 79 HE1 HIS 79 22.981 31.226 -31.834 546 HE2 HIS 79 HE2 HIS 79 20.548 30.659 -31.502 547 H LEU 80 H LEU 80 26.034 25.505 -29.405 548 HA LEU 80 HA LEU 80 26.107 22.856 -30.395 549 1HB LEU 80 1HB LEU 80 27.130 24.197 -27.905 550 2HB LEU 80 2HB LEU 80 27.249 22.460 -28.090 551 HG LEU 80 HG LEU 80 28.626 22.719 -30.075 552 1HD1 LEU 80 1HD1 LEU 80 28.130 25.653 -29.648 553 2HD1 LEU 80 2HD1 LEU 80 29.439 25.030 -30.651 554 3HD1 LEU 80 3HD1 LEU 80 27.762 24.683 -31.074 555 1HD2 LEU 80 1HD2 LEU 80 29.722 22.679 -27.891 556 2HD2 LEU 80 2HD2 LEU 80 30.603 23.697 -29.032 557 3HD2 LEU 80 3HD2 LEU 80 29.592 24.436 -27.790 558 H TRP 81 H TRP 81 24.494 21.430 -30.224 559 HA TRP 81 HA TRP 81 22.945 21.409 -27.724 560 1HB TRP 81 1HB TRP 81 21.008 20.655 -28.962 561 2HB TRP 81 2HB TRP 81 21.626 22.132 -29.696 562 HD1 TRP 81 HD1 TRP 81 22.453 22.005 -32.181 563 HE1 TRP 81 HE1 TRP 81 22.368 20.168 -33.982 564 HE3 TRP 81 HE3 TRP 81 21.145 18.037 -29.236 565 HZ2 TRP 81 HZ2 TRP 81 21.818 17.406 -34.136 566 HZ3 TRP 81 HZ3 TRP 81 20.857 15.831 -30.288 567 HH2 TRP 81 HH2 TRP 81 21.186 15.524 -32.689 568 H CYS 82 H CYS 82 22.186 19.369 -26.967 569 HA CYS 82 HA CYS 82 23.548 17.005 -28.043 570 1HB CYS 82 1HB CYS 82 24.189 16.312 -25.766 571 2HB CYS 82 2HB CYS 82 24.934 17.842 -26.203 572 H SER 83 H SER 83 22.673 15.316 -25.862 573 HA SER 83 HA SER 83 19.751 15.480 -26.154 574 1HB SER 83 1HB SER 83 20.216 13.752 -27.643 575 2HB SER 83 2HB SER 83 21.580 13.165 -26.692 576 HG SER 83 HG SER 83 20.096 11.741 -26.139 577 H THR 84 H THR 84 18.599 15.149 -24.321 578 HA THR 84 HA THR 84 20.054 14.981 -21.849 579 HB THR 84 HB THR 84 18.132 15.625 -20.759 580 HG1 THR 84 HG1 THR 84 16.797 13.898 -21.332 581 1HG2 THR 84 1HG2 THR 84 18.718 17.308 -22.453 582 2HG2 THR 84 2HG2 THR 84 17.601 16.547 -23.585 583 3HG2 THR 84 3HG2 THR 84 16.989 17.296 -22.110 584 H THR 85 H THR 85 18.611 12.688 -23.921 585 HA THR 85 HA THR 85 19.057 10.633 -21.899 586 HB THR 85 HB THR 85 16.538 11.422 -22.105 587 HG1 THR 85 HG1 THR 85 17.313 9.698 -20.792 588 1HG2 THR 85 1HG2 THR 85 16.696 10.811 -24.643 589 2HG2 THR 85 2HG2 THR 85 16.442 9.165 -24.063 590 3HG2 THR 85 3HG2 THR 85 15.240 10.414 -23.730 591 H SER 86 H SER 86 19.040 8.426 -22.816 592 HA SER 86 HA SER 86 20.749 8.201 -24.991 593 1HB SER 86 1HB SER 86 19.851 6.472 -23.111 594 2HB SER 86 2HB SER 86 18.959 5.894 -24.519 595 HG SER 86 HG SER 86 20.759 4.904 -24.960 596 H ASN 87 H ASN 87 17.241 7.586 -24.891 597 HA ASN 87 HA ASN 87 17.132 7.263 -27.757 598 1HB ASN 87 1HB ASN 87 15.510 6.507 -25.584 599 2HB ASN 87 2HB ASN 87 14.540 7.614 -26.549 600 2HD2 ASN 87 1HD2 ASN 87 13.810 5.007 -26.290 601 1HD2 ASN 87 2HD2 ASN 87 14.018 4.185 -27.795 602 H TYR 88 H TYR 88 17.948 9.360 -28.372 603 HA TYR 88 HA TYR 88 16.382 11.699 -27.733 604 1HB TYR 88 1HB TYR 88 18.672 12.169 -27.994 605 2HB TYR 88 2HB TYR 88 18.793 11.199 -29.460 606 HD1 TYR 88 HD1 TYR 88 17.288 14.317 -28.106 607 HD2 TYR 88 HD2 TYR 88 18.573 12.200 -31.563 608 HE1 TYR 88 HE1 TYR 88 16.942 16.338 -29.463 609 HE2 TYR 88 HE2 TYR 88 18.235 14.215 -32.931 610 HH TYR 88 HH TYR 88 17.161 16.274 -32.943 611 H GLU 89 H GLU 89 16.751 9.459 -30.397 612 HA GLU 89 HA GLU 89 15.267 10.942 -32.302 613 1HB GLU 89 1HB GLU 89 15.986 8.025 -32.067 614 2HB GLU 89 2HB GLU 89 15.015 8.641 -33.398 615 1HG GLU 89 1HG GLU 89 16.790 10.003 -34.178 616 2HG GLU 89 2HG GLU 89 17.736 9.716 -32.719 617 H GLN 90 H GLN 90 14.318 9.465 -29.464 618 HA GLN 90 HA GLN 90 11.584 9.025 -30.449 619 1HB GLN 90 1HB GLN 90 12.056 7.026 -29.447 620 2HB GLN 90 2HB GLN 90 13.226 7.734 -28.344 621 1HG GLN 90 1HG GLN 90 11.308 6.869 -27.143 622 2HG GLN 90 2HG GLN 90 11.417 8.622 -26.977 623 2HE2 GLN 90 1HE2 GLN 90 9.568 9.644 -27.163 624 1HE2 GLN 90 2HE2 GLN 90 8.198 9.127 -28.080 625 H ASP 91 H ASP 91 13.384 10.343 -27.692 626 HA ASP 91 HA ASP 91 11.069 11.737 -26.688 627 1HB ASP 91 1HB ASP 91 13.979 11.854 -25.865 628 2HB ASP 91 2HB ASP 91 12.662 12.656 -25.013 629 H GLN 92 H GLN 92 14.162 12.665 -28.160 630 HA GLN 92 HA GLN 92 14.597 14.390 -29.623 631 1HB GLN 92 1HB GLN 92 11.921 15.591 -28.929 632 2HB GLN 92 2HB GLN 92 12.928 15.934 -30.327 633 1HG GLN 92 1HG GLN 92 12.368 13.156 -30.309 634 2HG GLN 92 2HG GLN 92 10.855 14.029 -30.066 635 2HE2 GLN 92 1HE2 GLN 92 12.705 12.694 -32.348 636 1HE2 GLN 92 2HE2 GLN 92 12.306 13.688 -33.704 637 H LYS 93 H LYS 93 13.325 14.916 -26.414 638 HA LYS 93 HA LYS 93 13.971 17.547 -25.951 639 1HB LYS 93 1HB LYS 93 13.838 17.088 -23.691 640 2HB LYS 93 2HB LYS 93 12.953 15.732 -24.373 641 1HG LYS 93 1HG LYS 93 15.828 15.681 -23.483 642 2HG LYS 93 2HG LYS 93 14.455 15.037 -22.584 643 1HD LYS 93 1HD LYS 93 14.338 13.181 -23.846 644 2HD LYS 93 2HD LYS 93 14.667 14.058 -25.341 645 1HE LYS 93 1HE LYS 93 17.055 14.186 -23.955 646 2HE LYS 93 2HE LYS 93 16.466 12.558 -23.628 647 1HZ LYS 93 1HZ LYS 93 16.655 13.712 -26.351 648 2HZ LYS 93 2HZ LYS 93 17.874 12.774 -25.650 649 3HZ LYS 93 3HZ LYS 93 16.350 12.101 -25.935 650 H TYR 94 H TYR 94 15.756 18.562 -26.487 651 HA TYR 94 HA TYR 94 18.338 17.211 -26.071 652 1HB TYR 94 1HB TYR 94 19.223 18.522 -27.888 653 2HB TYR 94 2HB TYR 94 17.733 17.766 -28.433 654 HD1 TYR 94 HD1 TYR 94 18.912 20.950 -26.875 655 HD2 TYR 94 HD2 TYR 94 16.211 19.074 -29.573 656 HE1 TYR 94 HE1 TYR 94 18.056 23.156 -27.539 657 HE2 TYR 94 HE2 TYR 94 15.348 21.276 -30.248 658 HH TYR 94 HH TYR 94 16.313 24.213 -28.601 659 H SER 95 H SER 95 20.179 18.819 -25.800 660 HA SER 95 HA SER 95 19.396 21.130 -24.169 661 1HB SER 95 1HB SER 95 21.764 20.098 -23.023 662 2HB SER 95 2HB SER 95 20.158 20.154 -22.297 663 HG SER 95 HG SER 95 20.706 18.038 -22.294 664 H PHE 96 H PHE 96 21.227 22.685 -23.893 665 HA PHE 96 HA PHE 96 22.801 22.743 -26.364 666 1HB PHE 96 1HB PHE 96 21.831 24.857 -24.476 667 2HB PHE 96 2HB PHE 96 23.215 25.183 -25.513 668 HD1 PHE 96 HD1 PHE 96 22.273 23.581 -27.917 669 HD2 PHE 96 HD2 PHE 96 20.299 26.382 -25.394 670 HE1 PHE 96 HE1 PHE 96 20.750 24.159 -29.758 671 HE2 PHE 96 HE2 PHE 96 18.769 26.964 -27.232 672 HZ PHE 96 HZ PHE 96 18.994 25.852 -29.418 673 H CYS 97 H CYS 97 24.882 24.261 -25.896 674 HA CYS 97 HA CYS 97 26.279 23.573 -23.476 675 1HB CYS 97 1HB CYS 97 27.238 22.433 -26.111 676 2HB CYS 97 2HB CYS 97 28.127 22.381 -24.593 677 H THR 98 H THR 98 27.511 25.247 -22.979 678 HA THR 98 HA THR 98 27.797 27.506 -24.585 679 HB THR 98 HB THR 98 29.684 28.067 -22.912 680 HG1 THR 98 HG1 THR 98 29.397 25.525 -22.352 681 1HG2 THR 98 1HG2 THR 98 26.795 27.633 -22.264 682 2HG2 THR 98 2HG2 THR 98 27.899 28.231 -21.026 683 3HG2 THR 98 3HG2 THR 98 27.669 29.144 -22.518 684 H ASP 99 H ASP 99 29.855 28.494 -25.296 685 HA ASP 99 HA ASP 99 31.168 26.951 -27.195 686 1HB ASP 99 1HB ASP 99 32.292 29.415 -25.853 687 2HB ASP 99 2HB ASP 99 32.696 28.805 -27.455 688 H HIS 100 H HIS 100 31.855 27.419 -23.820 689 HA HIS 100 HA HIS 100 34.431 26.885 -23.399 690 1HB HIS 100 1HB HIS 100 32.270 26.764 -21.813 691 2HB HIS 100 2HB HIS 100 32.631 25.045 -21.919 692 HD1 HIS 100 HD1 HIS 100 35.446 24.675 -21.505 693 HD2 HIS 100 HD2 HIS 100 33.478 27.838 -19.666 694 HE1 HIS 100 HE1 HIS 100 36.902 25.333 -19.564 695 HE2 HIS 100 HE2 HIS 100 35.631 27.170 -18.398 696 H THR 101 H THR 101 32.133 24.597 -24.728 697 HA THR 101 HA THR 101 33.381 22.188 -24.486 698 HB THR 101 HB THR 101 32.349 21.481 -26.549 699 HG1 THR 101 HG1 THR 101 31.689 24.182 -27.124 700 1HG2 THR 101 1HG2 THR 101 30.987 22.614 -24.436 701 2HG2 THR 101 2HG2 THR 101 30.255 23.385 -25.842 702 3HG2 THR 101 3HG2 THR 101 30.274 21.627 -25.713 No H/Q in entry = 702 Start of MODEL 15 1 H1 TYR 1 H1 TYR 1 48.538 7.617 -45.779 2 H2 TYR 1 H2 TYR 1 48.647 9.305 -45.733 3 H3 TYR 1 H3 TYR 1 49.122 8.391 -44.391 4 HA TYR 1 HA TYR 1 47.108 8.757 -43.577 5 1HB TYR 1 1HB TYR 1 45.352 9.806 -44.877 6 2HB TYR 1 2HB TYR 1 46.889 10.565 -45.276 7 HD1 TYR 1 HD1 TYR 1 44.351 8.153 -46.477 8 HD2 TYR 1 HD2 TYR 1 47.721 10.543 -47.494 9 HE1 TYR 1 HE1 TYR 1 43.944 7.700 -48.859 10 HE2 TYR 1 HE2 TYR 1 47.323 10.096 -49.879 11 HH TYR 1 HH TYR 1 44.902 9.352 -51.235 12 H GLY 2 H GLY 2 45.056 7.665 -43.334 13 1HA GLY 2 1HA GLY 2 43.755 5.887 -44.848 14 2HA GLY 2 2HA GLY 2 45.174 4.958 -44.385 15 H HIS 3 H HIS 3 45.405 4.254 -42.268 16 HA HIS 3 HA HIS 3 42.943 4.380 -40.679 17 1HB HIS 3 1HB HIS 3 45.130 2.373 -40.984 18 2HB HIS 3 2HB HIS 3 44.291 2.456 -39.440 19 HD1 HIS 3 HD1 HIS 3 43.431 2.074 -43.123 20 HD2 HIS 3 HD2 HIS 3 42.008 0.985 -39.373 21 HE1 HIS 3 HE1 HIS 3 41.454 0.583 -43.560 22 HE2 HIS 3 HE2 HIS 3 40.669 -0.138 -41.278 23 H CYS 4 H CYS 4 43.052 4.743 -38.404 24 HA CYS 4 HA CYS 4 45.390 6.358 -37.644 25 1HB CYS 4 1HB CYS 4 43.567 6.926 -35.714 26 2HB CYS 4 2HB CYS 4 43.749 7.836 -37.205 27 H VAL 5 H VAL 5 46.759 5.618 -36.187 28 HA VAL 5 HA VAL 5 45.836 3.563 -34.286 29 HB VAL 5 HB VAL 5 48.631 3.629 -35.406 30 1HG1 VAL 5 1HG1 VAL 5 47.754 2.389 -33.218 31 2HG1 VAL 5 2HG1 VAL 5 47.319 1.167 -34.414 32 3HG1 VAL 5 3HG1 VAL 5 48.993 1.700 -34.267 33 1HG2 VAL 5 1HG2 VAL 5 46.184 2.705 -36.686 34 2HG2 VAL 5 2HG2 VAL 5 47.792 2.960 -37.366 35 3HG2 VAL 5 3HG2 VAL 5 47.410 1.444 -36.549 36 H THR 6 H THR 6 45.549 5.154 -32.677 37 HA THR 6 HA THR 6 47.072 7.206 -31.862 38 HB THR 6 HB THR 6 45.253 6.874 -30.482 39 HG1 THR 6 HG1 THR 6 46.105 6.705 -28.437 40 1HG2 THR 6 1HG2 THR 6 45.986 4.035 -30.714 41 2HG2 THR 6 2HG2 THR 6 45.307 4.502 -29.154 42 3HG2 THR 6 3HG2 THR 6 44.395 4.794 -30.635 43 H ASP 7 H ASP 7 47.950 3.837 -31.631 44 HA ASP 7 HA ASP 7 50.694 4.512 -31.180 45 1HB ASP 7 1HB ASP 7 50.522 2.800 -29.075 46 2HB ASP 7 2HB ASP 7 50.535 4.555 -28.922 47 H SER 8 H SER 8 49.288 1.563 -29.930 48 HA SER 8 HA SER 8 49.606 0.084 -32.370 49 1HB SER 8 1HB SER 8 51.426 -1.342 -31.678 50 2HB SER 8 2HB SER 8 51.966 0.333 -31.560 51 HG SER 8 HG SER 8 52.022 0.185 -29.432 52 H GLY 9 H GLY 9 47.314 0.065 -31.364 53 1HA GLY 9 1HA GLY 9 46.940 -2.557 -30.241 54 2HA GLY 9 2HA GLY 9 46.543 -1.267 -29.117 55 H VAL 10 H VAL 10 45.489 0.570 -30.994 56 HA VAL 10 HA VAL 10 43.079 -0.868 -31.894 57 HB VAL 10 HB VAL 10 42.851 2.008 -31.202 58 1HG1 VAL 10 1HG1 VAL 10 41.142 -0.185 -31.764 59 2HG1 VAL 10 2HG1 VAL 10 40.811 0.355 -30.118 60 3HG1 VAL 10 3HG1 VAL 10 40.707 1.496 -31.460 61 1HG2 VAL 10 1HG2 VAL 10 44.173 1.044 -29.337 62 2HG2 VAL 10 2HG2 VAL 10 42.572 1.598 -28.846 63 3HG2 VAL 10 3HG2 VAL 10 42.879 -0.125 -29.069 64 H VAL 11 H VAL 11 43.927 -1.065 -34.002 65 HA VAL 11 HA VAL 11 44.863 1.149 -35.511 66 HB VAL 11 HB VAL 11 43.790 -1.511 -36.459 67 1HG1 VAL 11 1HG1 VAL 11 44.566 0.866 -37.900 68 2HG1 VAL 11 2HG1 VAL 11 45.594 -0.502 -38.325 69 3HG1 VAL 11 3HG1 VAL 11 43.843 -0.626 -38.499 70 1HG2 VAL 11 1HG2 VAL 11 46.512 -0.538 -35.678 71 2HG2 VAL 11 2HG2 VAL 11 45.683 -2.025 -35.218 72 3HG2 VAL 11 3HG2 VAL 11 46.327 -1.845 -36.848 73 H TYR 12 H TYR 12 43.162 2.694 -35.045 74 HA TYR 12 HA TYR 12 40.486 2.336 -35.858 75 1HB TYR 12 1HB TYR 12 42.145 4.818 -35.410 76 2HB TYR 12 2HB TYR 12 40.435 4.876 -35.819 77 HD1 TYR 12 HD1 TYR 12 38.850 3.511 -34.270 78 HD2 TYR 12 HD2 TYR 12 42.782 4.722 -33.194 79 HE1 TYR 12 HE1 TYR 12 38.276 3.237 -31.891 80 HE2 TYR 12 HE2 TYR 12 42.222 4.454 -30.813 81 HH TYR 12 HH TYR 12 40.691 3.462 -29.381 82 H SER 13 H SER 13 39.694 4.267 -37.477 83 HA SER 13 HA SER 13 41.222 3.936 -39.968 84 1HB SER 13 1HB SER 13 38.296 3.487 -39.471 85 2HB SER 13 2HB SER 13 38.864 3.965 -41.070 86 HG SER 13 HG SER 13 39.398 1.614 -39.620 87 H VAL 14 H VAL 14 41.015 5.624 -41.496 88 HA VAL 14 HA VAL 14 41.165 8.188 -40.545 89 HB VAL 14 HB VAL 14 41.957 7.796 -42.733 90 1HG1 VAL 14 1HG1 VAL 14 39.743 6.137 -42.990 91 2HG1 VAL 14 2HG1 VAL 14 39.488 7.407 -44.188 92 3HG1 VAL 14 3HG1 VAL 14 40.973 6.456 -44.213 93 1HG2 VAL 14 1HG2 VAL 14 40.665 9.995 -42.209 94 2HG2 VAL 14 2HG2 VAL 14 41.173 9.652 -43.862 95 3HG2 VAL 14 3HG2 VAL 14 39.501 9.372 -43.377 96 H GLY 15 H GLY 15 39.471 8.519 -39.028 97 1HA GLY 15 1HA GLY 15 37.601 9.975 -38.764 98 2HA GLY 15 2HA GLY 15 37.000 9.433 -40.318 99 H MET 16 H MET 16 38.110 7.361 -37.678 100 HA MET 16 HA MET 16 35.464 6.116 -37.661 101 1HB MET 16 1HB MET 16 38.028 5.061 -37.583 102 2HB MET 16 2HB MET 16 37.465 4.904 -35.925 103 1HG MET 16 1HG MET 16 35.324 4.053 -37.470 104 2HG MET 16 2HG MET 16 36.746 3.393 -38.277 105 1HE MET 16 1HE MET 16 38.649 2.490 -37.026 106 2HE MET 16 2HE MET 16 38.572 1.533 -35.547 107 3HE MET 16 3HE MET 16 37.943 0.874 -37.058 108 H GLN 17 H GLN 17 37.466 8.192 -35.826 109 HA GLN 17 HA GLN 17 37.253 9.201 -33.801 110 1HB GLN 17 1HB GLN 17 34.585 8.905 -34.881 111 2HB GLN 17 2HB GLN 17 34.556 8.876 -33.124 112 1HG GLN 17 1HG GLN 17 36.095 10.978 -33.368 113 2HG GLN 17 2HG GLN 17 35.369 11.060 -34.973 114 2HE2 GLN 17 1HE2 GLN 17 34.704 11.077 -31.531 115 1HE2 GLN 17 2HE2 GLN 17 33.175 11.874 -31.636 116 H TRP 18 H TRP 18 37.138 8.815 -31.559 117 HA TRP 18 HA TRP 18 36.006 6.488 -30.433 118 1HB TRP 18 1HB TRP 18 37.869 5.101 -30.042 119 2HB TRP 18 2HB TRP 18 37.990 5.550 -31.739 120 HD1 TRP 18 HD1 TRP 18 39.621 6.343 -28.328 121 HE1 TRP 18 HE1 TRP 18 41.983 7.235 -28.768 122 HE3 TRP 18 HE3 TRP 18 39.460 6.630 -33.442 123 HZ2 TRP 18 HZ2 TRP 18 43.579 7.973 -30.978 124 HZ3 TRP 18 HZ3 TRP 18 41.450 7.437 -34.635 125 HH2 TRP 18 HH2 TRP 18 43.467 8.092 -33.429 126 H LEU 19 H LEU 19 37.086 6.076 -28.174 127 HA LEU 19 HA LEU 19 37.851 8.652 -26.989 128 1HB LEU 19 1HB LEU 19 35.465 8.316 -26.599 129 2HB LEU 19 2HB LEU 19 35.781 6.731 -25.917 130 HG LEU 19 HG LEU 19 37.332 8.322 -24.327 131 1HD1 LEU 19 1HD1 LEU 19 35.749 10.133 -25.691 132 2HD1 LEU 19 2HD1 LEU 19 34.914 9.912 -24.154 133 3HD1 LEU 19 3HD1 LEU 19 36.602 10.419 -24.175 134 1HD2 LEU 19 1HD2 LEU 19 35.559 6.513 -23.837 135 2HD2 LEU 19 2HD2 LEU 19 35.841 7.770 -22.632 136 3HD2 LEU 19 3HD2 LEU 19 34.439 7.867 -23.697 137 H LYS 20 H LYS 20 39.247 8.538 -25.254 138 HA LYS 20 HA LYS 20 40.126 5.865 -24.430 139 1HB LYS 20 1HB LYS 20 41.991 6.072 -25.639 140 2HB LYS 20 2HB LYS 20 41.593 7.727 -26.067 141 1HG LYS 20 1HG LYS 20 42.759 7.153 -23.387 142 2HG LYS 20 2HG LYS 20 43.801 7.174 -24.812 143 1HD LYS 20 1HD LYS 20 43.484 9.416 -25.181 144 2HD LYS 20 2HD LYS 20 41.900 9.427 -24.404 145 1HE LYS 20 1HE LYS 20 43.716 10.618 -23.144 146 2HE LYS 20 2HE LYS 20 42.868 9.367 -22.236 147 1HZ LYS 20 1HZ LYS 20 45.238 8.486 -23.654 148 2HZ LYS 20 2HZ LYS 20 45.524 9.562 -22.381 149 3HZ LYS 20 3HZ LYS 20 44.706 8.107 -22.094 150 H THR 21 H THR 21 41.057 5.729 -22.382 151 HA THR 21 HA THR 21 40.704 8.119 -20.689 152 HB THR 21 HB THR 21 40.556 5.924 -18.986 153 HG1 THR 21 HG1 THR 21 38.932 5.462 -21.287 154 1HG2 THR 21 1HG2 THR 21 38.947 8.132 -19.818 155 2HG2 THR 21 2HG2 THR 21 37.922 6.709 -19.651 156 3HG2 THR 21 3HG2 THR 21 38.907 7.250 -18.292 157 H GLN 22 H GLN 22 41.800 7.174 -18.358 158 HA GLN 22 HA GLN 22 44.499 6.255 -19.005 159 1HB GLN 22 1HB GLN 22 43.910 8.774 -17.444 160 2HB GLN 22 2HB GLN 22 45.499 8.043 -17.618 161 1HG GLN 22 1HG GLN 22 44.394 8.404 -20.209 162 2HG GLN 22 2HG GLN 22 44.221 9.911 -19.309 163 2HE2 GLN 22 1HE2 GLN 22 46.551 7.428 -20.230 164 1HE2 GLN 22 2HE2 GLN 22 47.929 8.469 -20.242 165 H GLY 23 H GLY 23 42.139 7.088 -16.518 166 1HA GLY 23 1HA GLY 23 42.358 4.704 -15.109 167 2HA GLY 23 2HA GLY 23 43.486 5.827 -14.365 168 H ASN 24 H ASN 24 42.074 8.196 -14.601 169 HA ASN 24 HA ASN 24 39.508 7.733 -13.274 170 1HB ASN 24 1HB ASN 24 41.754 8.261 -11.784 171 2HB ASN 24 2HB ASN 24 41.074 9.869 -12.015 172 2HD2 ASN 24 1HD2 ASN 24 41.270 8.601 -9.536 173 1HD2 ASN 24 2HD2 ASN 24 39.674 8.297 -8.948 174 H LYS 25 H LYS 25 40.932 9.067 -15.769 175 HA LYS 25 HA LYS 25 39.309 11.524 -15.676 176 1HB LYS 25 1HB LYS 25 41.647 11.292 -17.519 177 2HB LYS 25 2HB LYS 25 40.938 12.726 -16.790 178 1HG LYS 25 1HG LYS 25 42.553 10.660 -15.311 179 2HG LYS 25 2HG LYS 25 43.173 12.201 -15.907 180 1HD LYS 25 1HD LYS 25 40.758 12.523 -14.327 181 2HD LYS 25 2HD LYS 25 42.047 11.730 -13.422 182 1HE LYS 25 1HE LYS 25 43.577 13.566 -14.113 183 2HE LYS 25 2HE LYS 25 42.198 14.380 -14.851 184 1HZ LYS 25 1HZ LYS 25 41.242 13.965 -12.421 185 2HZ LYS 25 2HZ LYS 25 42.886 14.071 -12.040 186 3HZ LYS 25 3HZ LYS 25 42.117 15.353 -12.833 187 H GLN 26 H GLN 26 39.640 12.186 -18.394 188 HA GLN 26 HA GLN 26 38.763 9.958 -20.002 189 1HB GLN 26 1HB GLN 26 36.853 11.781 -18.768 190 2HB GLN 26 2HB GLN 26 36.713 11.755 -20.520 191 1HG GLN 26 1HG GLN 26 36.620 9.237 -20.344 192 2HG GLN 26 2HG GLN 26 36.434 9.461 -18.605 193 2HE2 GLN 26 1HE2 GLN 26 34.675 8.513 -20.933 194 1HE2 GLN 26 2HE2 GLN 26 33.186 9.348 -20.673 195 H MET 27 H MET 27 38.994 10.332 -22.193 196 HA MET 27 HA MET 27 39.411 13.008 -23.193 197 1HB MET 27 1HB MET 27 41.637 11.551 -22.273 198 2HB MET 27 2HB MET 27 41.698 11.465 -24.028 199 1HG MET 27 1HG MET 27 41.256 14.045 -23.846 200 2HG MET 27 2HG MET 27 41.925 13.820 -22.231 201 1HE MET 27 1HE MET 27 43.868 12.759 -21.668 202 2HE MET 27 2HE MET 27 45.145 12.151 -22.722 203 3HE MET 27 3HE MET 27 45.160 13.836 -22.200 204 H LEU 28 H LEU 28 38.312 13.011 -25.038 205 HA LEU 28 HA LEU 28 37.906 10.530 -26.502 206 1HB LEU 28 1HB LEU 28 36.011 12.046 -26.130 207 2HB LEU 28 2HB LEU 28 36.842 13.308 -27.020 208 HG LEU 28 HG LEU 28 36.801 11.170 -28.790 209 1HD1 LEU 28 1HD1 LEU 28 34.278 11.271 -27.172 210 2HD1 LEU 28 2HD1 LEU 28 34.294 10.714 -28.845 211 3HD1 LEU 28 3HD1 LEU 28 35.246 9.868 -27.624 212 1HD2 LEU 28 1HD2 LEU 28 35.976 13.838 -28.661 213 2HD2 LEU 28 2HD2 LEU 28 36.060 12.811 -30.092 214 3HD2 LEU 28 3HD2 LEU 28 34.556 12.927 -29.178 215 H CYS 29 H CYS 29 39.202 9.913 -28.089 216 HA CYS 29 HA CYS 29 40.910 11.921 -29.383 217 1HB CYS 29 1HB CYS 29 41.220 9.055 -28.703 218 2HB CYS 29 2HB CYS 29 41.981 9.594 -30.195 219 H THR 30 H THR 30 41.144 11.993 -31.624 220 HA THR 30 HA THR 30 39.374 10.348 -33.266 221 HB THR 30 HB THR 30 39.269 13.372 -33.287 222 HG1 THR 30 HG1 THR 30 37.897 11.641 -31.881 223 1HG2 THR 30 1HG2 THR 30 38.063 11.321 -35.141 224 2HG2 THR 30 2HG2 THR 30 37.498 12.990 -35.043 225 3HG2 THR 30 3HG2 THR 30 39.151 12.647 -35.554 226 H CYS 31 H CYS 31 39.911 10.368 -35.514 227 HA CYS 31 HA CYS 31 42.611 11.416 -36.042 228 1HB CYS 31 1HB CYS 31 42.592 9.543 -37.849 229 2HB CYS 31 2HB CYS 31 42.899 9.119 -36.171 230 H LEU 32 H LEU 32 42.437 13.188 -37.208 231 HA LEU 32 HA LEU 32 40.226 13.644 -38.990 232 1HB LEU 32 1HB LEU 32 41.902 15.681 -39.546 233 2HB LEU 32 2HB LEU 32 40.768 15.683 -38.211 234 HG LEU 32 HG LEU 32 43.509 14.608 -37.735 235 1HD1 LEU 32 1HD1 LEU 32 43.359 16.990 -38.965 236 2HD1 LEU 32 2HD1 LEU 32 43.156 17.497 -37.288 237 3HD1 LEU 32 3HD1 LEU 32 44.586 16.582 -37.766 238 1HD2 LEU 32 1HD2 LEU 32 41.480 14.697 -36.104 239 2HD2 LEU 32 2HD2 LEU 32 43.087 15.141 -35.527 240 3HD2 LEU 32 3HD2 LEU 32 41.922 16.398 -35.942 241 H GLY 33 H GLY 33 43.489 14.525 -39.930 242 1HA GLY 33 1HA GLY 33 43.468 12.532 -42.072 243 2HA GLY 33 2HA GLY 33 43.476 14.222 -42.544 244 H ASN 34 H ASN 34 45.187 15.279 -40.645 245 HA ASN 34 HA ASN 34 47.727 14.243 -41.620 246 1HB ASN 34 1HB ASN 34 48.673 16.312 -40.619 247 2HB ASN 34 2HB ASN 34 47.393 16.638 -41.784 248 2HD2 ASN 34 1HD2 ASN 34 48.578 17.731 -39.048 249 1HD2 ASN 34 2HD2 ASN 34 47.147 18.277 -38.249 250 H GLY 35 H GLY 35 45.797 14.138 -38.793 251 1HA GLY 35 1HA GLY 35 47.613 12.380 -37.483 252 2HA GLY 35 2HA GLY 35 47.639 13.971 -36.738 253 H VAL 36 H VAL 36 46.901 12.691 -34.857 254 HA VAL 36 HA VAL 36 43.983 12.293 -34.935 255 HB VAL 36 HB VAL 36 46.131 10.720 -33.574 256 1HG1 VAL 36 1HG1 VAL 36 43.465 11.346 -32.418 257 2HG1 VAL 36 2HG1 VAL 36 44.066 9.693 -32.276 258 3HG1 VAL 36 3HG1 VAL 36 45.002 11.032 -31.612 259 1HG2 VAL 36 1HG2 VAL 36 44.692 10.203 -35.738 260 2HG2 VAL 36 2HG2 VAL 36 45.205 8.933 -34.626 261 3HG2 VAL 36 3HG2 VAL 36 43.569 9.585 -34.528 262 H SER 37 H SER 37 42.900 13.783 -33.859 263 HA SER 37 HA SER 37 44.231 15.214 -31.664 264 1HB SER 37 1HB SER 37 43.531 16.849 -33.167 265 2HB SER 37 2HB SER 37 42.066 15.969 -33.599 266 HG SER 37 HG SER 37 42.096 17.933 -32.026 267 H CYS 38 H CYS 38 42.990 15.698 -29.741 268 HA CYS 38 HA CYS 38 40.597 14.088 -29.314 269 1HB CYS 38 1HB CYS 38 42.729 13.892 -27.234 270 2HB CYS 38 2HB CYS 38 41.430 12.768 -27.608 271 H GLN 39 H GLN 39 39.679 14.504 -27.075 272 HA GLN 39 HA GLN 39 40.106 17.332 -26.365 273 1HB GLN 39 1HB GLN 39 37.610 15.696 -26.609 274 2HB GLN 39 2HB GLN 39 37.651 17.049 -25.485 275 1HG GLN 39 1HG GLN 39 38.180 18.572 -27.288 276 2HG GLN 39 2HG GLN 39 38.245 17.231 -28.430 277 2HE2 GLN 39 1HE2 GLN 39 36.054 15.775 -27.691 278 1HE2 GLN 39 2HE2 GLN 39 34.618 16.687 -27.989 279 H GLU 40 H GLU 40 40.943 17.632 -24.425 280 HA GLU 40 HA GLU 40 41.383 15.586 -22.561 281 1HB GLU 40 1HB GLU 40 42.222 18.218 -22.902 282 2HB GLU 40 2HB GLU 40 41.378 18.223 -21.358 283 1HG GLU 40 1HG GLU 40 42.778 16.319 -20.639 284 2HG GLU 40 2HG GLU 40 43.676 16.455 -22.149 285 H THR 41 H THR 41 40.126 14.709 -21.071 286 HA THR 41 HA THR 41 38.502 14.449 -19.483 287 HB THR 41 HB THR 41 37.783 17.351 -19.905 288 HG1 THR 41 HG1 THR 41 39.544 16.297 -17.934 289 1HG2 THR 41 1HG2 THR 41 36.224 15.764 -18.636 290 2HG2 THR 41 2HG2 THR 41 37.483 15.714 -17.402 291 3HG2 THR 41 3HG2 THR 41 36.713 17.246 -17.815 292 H ALA 42 H ALA 42 37.369 16.639 -22.059 293 HA ALA 42 HA ALA 42 35.622 16.480 -23.517 294 1HB ALA 42 2HB ALA 42 34.600 13.873 -23.089 295 2HB ALA 42 1HB ALA 42 36.359 13.778 -23.011 296 3HB ALA 42 3HB ALA 42 35.576 14.461 -24.436 297 H VAL 43 H VAL 43 34.209 17.875 -22.568 298 HA VAL 43 HA VAL 43 31.788 16.897 -21.548 299 HB VAL 43 HB VAL 43 32.272 18.248 -19.243 300 1HG1 VAL 43 1HG1 VAL 43 31.411 15.806 -19.888 301 2HG1 VAL 43 2HG1 VAL 43 32.976 15.373 -19.197 302 3HG1 VAL 43 3HG1 VAL 43 31.804 16.271 -18.233 303 1HG2 VAL 43 1HG2 VAL 43 34.752 18.213 -20.070 304 2HG2 VAL 43 2HG2 VAL 43 34.376 17.897 -18.376 305 3HG2 VAL 43 3HG2 VAL 43 34.720 16.556 -19.467 306 H THR 44 H THR 44 33.741 19.726 -20.601 307 HA THR 44 HA THR 44 33.428 21.962 -20.889 308 HB THR 44 HB THR 44 31.643 22.164 -23.068 309 HG1 THR 44 HG1 THR 44 31.904 20.328 -24.076 310 1HG2 THR 44 1HG2 THR 44 34.656 22.270 -22.910 311 2HG2 THR 44 2HG2 THR 44 33.704 22.828 -24.286 312 3HG2 THR 44 3HG2 THR 44 33.538 23.620 -22.719 313 H GLN 45 H GLN 45 31.320 23.506 -21.697 314 HA GLN 45 HA GLN 45 29.190 22.730 -19.815 315 1HB GLN 45 1HB GLN 45 29.863 25.566 -20.567 316 2HB GLN 45 2HB GLN 45 28.909 24.998 -19.202 317 1HG GLN 45 1HG GLN 45 31.281 23.810 -18.687 318 2HG GLN 45 2HG GLN 45 31.814 25.283 -19.494 319 2HE2 GLN 45 1HE2 GLN 45 30.113 23.969 -16.750 320 1HE2 GLN 45 2HE2 GLN 45 30.155 25.403 -15.786 321 H THR 46 H THR 46 27.237 24.451 -20.366 322 HA THR 46 HA THR 46 26.760 24.510 -23.236 323 HB THR 46 HB THR 46 24.388 23.510 -22.668 324 HG1 THR 46 HG1 THR 46 24.287 22.465 -20.828 325 1HG2 THR 46 1HG2 THR 46 26.896 21.875 -23.051 326 2HG2 THR 46 2HG2 THR 46 25.261 21.243 -23.246 327 3HG2 THR 46 3HG2 THR 46 25.843 22.526 -24.308 328 H TYR 47 H TYR 47 25.883 26.398 -23.738 329 HA TYR 47 HA TYR 47 24.043 27.674 -21.837 330 1HB TYR 47 1HB TYR 47 25.097 29.869 -22.319 331 2HB TYR 47 2HB TYR 47 26.189 28.756 -21.502 332 HD1 TYR 47 HD1 TYR 47 25.357 30.250 -24.785 333 HD2 TYR 47 HD2 TYR 47 28.232 28.099 -22.503 334 HE1 TYR 47 HE1 TYR 47 27.011 30.572 -26.576 335 HE2 TYR 47 HE2 TYR 47 29.892 28.415 -24.287 336 HH TYR 47 HH TYR 47 29.989 30.485 -26.368 337 H GLY 48 H GLY 48 22.779 29.454 -22.854 338 1HA GLY 48 1HA GLY 48 21.121 29.880 -24.416 339 2HA GLY 48 2HA GLY 48 22.525 30.170 -25.431 340 H GLY 49 H GLY 49 21.911 29.373 -27.352 341 1HA GLY 49 1HA GLY 49 21.708 27.675 -28.920 342 2HA GLY 49 2HA GLY 49 21.679 26.506 -27.608 343 H ASN 50 H ASN 50 19.855 25.389 -27.575 344 HA ASN 50 HA ASN 50 17.348 26.792 -28.234 345 1HB ASN 50 1HB ASN 50 18.253 24.936 -29.833 346 2HB ASN 50 2HB ASN 50 17.666 23.830 -28.596 347 2HD2 ASN 50 1HD2 ASN 50 16.875 25.497 -31.352 348 1HD2 ASN 50 2HD2 ASN 50 15.154 25.389 -31.251 349 H SER 51 H SER 51 19.103 25.158 -25.880 350 HA SER 51 HA SER 51 16.665 24.778 -24.274 351 1HB SER 51 1HB SER 51 17.452 22.572 -24.865 352 2HB SER 51 2HB SER 51 19.098 22.981 -24.384 353 HG SER 51 HG SER 51 16.840 22.858 -22.666 354 H ASN 52 H ASN 52 18.778 26.940 -24.540 355 HA ASN 52 HA ASN 52 19.895 28.389 -23.191 356 1HB ASN 52 1HB ASN 52 17.803 28.520 -21.978 357 2HB ASN 52 2HB ASN 52 18.184 27.048 -21.089 358 2HD2 ASN 52 1HD2 ASN 52 18.077 27.996 -19.089 359 1HD2 ASN 52 2HD2 ASN 52 19.244 29.137 -18.525 360 H GLY 53 H GLY 53 20.805 25.488 -23.557 361 1HA GLY 53 1HA GLY 53 22.834 24.479 -23.066 362 2HA GLY 53 2HA GLY 53 23.129 25.731 -21.869 363 H GLU 54 H GLU 54 21.389 22.718 -22.470 364 HA GLU 54 HA GLU 54 21.316 22.276 -19.558 365 1HB GLU 54 1HB GLU 54 19.287 21.183 -19.731 366 2HB GLU 54 2HB GLU 54 19.117 22.428 -20.960 367 1HG GLU 54 2HG GLU 54 20.279 20.277 -22.280 368 2HG GLU 54 1HG GLU 54 18.609 20.827 -22.396 369 HA PRO 55 HA PRO 55 23.645 18.553 -19.628 370 1HB PRO 55 2HB PRO 55 22.725 16.966 -18.240 371 2HB PRO 55 1HB PRO 55 21.203 16.920 -19.135 372 1HG PRO 55 1HG PRO 55 20.539 18.135 -17.266 373 2HG PRO 55 2HG PRO 55 22.135 18.881 -17.073 374 1HD PRO 55 1HD PRO 55 19.916 19.603 -18.933 375 2HD PRO 55 2HD PRO 55 21.077 20.654 -18.097 376 H CYS 56 H CYS 56 24.326 18.171 -21.678 377 HA CYS 56 HA CYS 56 22.805 17.592 -23.909 378 1HB CYS 56 1HB CYS 56 25.526 16.383 -23.484 379 2HB CYS 56 2HB CYS 56 24.805 16.954 -24.983 380 H VAL 57 H VAL 57 22.839 15.488 -25.153 381 HA VAL 57 HA VAL 57 22.381 13.217 -23.332 382 HB VAL 57 HB VAL 57 20.253 14.203 -24.175 383 1HG1 VAL 57 1HG1 VAL 57 21.664 14.209 -26.622 384 2HG1 VAL 57 2HG1 VAL 57 20.305 13.100 -26.804 385 3HG1 VAL 57 3HG1 VAL 57 20.022 14.768 -26.308 386 1HG2 VAL 57 1HG2 VAL 57 20.949 11.579 -23.880 387 2HG2 VAL 57 2HG2 VAL 57 19.306 12.170 -24.129 388 3HG2 VAL 57 3HG2 VAL 57 20.252 11.592 -25.500 389 H LEU 58 H LEU 58 24.732 12.944 -24.061 390 HA LEU 58 HA LEU 58 24.775 11.420 -26.581 391 1HB LEU 58 1HB LEU 58 27.389 12.239 -25.572 392 2HB LEU 58 2HB LEU 58 26.729 12.339 -27.191 393 HG LEU 58 HG LEU 58 25.476 14.400 -26.450 394 1HD1 LEU 58 1HD1 LEU 58 26.798 13.686 -23.942 395 2HD1 LEU 58 2HD1 LEU 58 26.986 15.377 -24.410 396 3HD1 LEU 58 3HD1 LEU 58 25.373 14.683 -24.238 397 1HD2 LEU 58 1HD2 LEU 58 27.767 14.248 -27.648 398 2HD2 LEU 58 2HD2 LEU 58 27.252 15.792 -26.969 399 3HD2 LEU 58 3HD2 LEU 58 28.415 14.793 -26.101 400 HA PRO 59 HA PRO 59 27.388 10.545 -27.233 401 1HB PRO 59 2HB PRO 59 28.436 8.646 -27.941 402 2HB PRO 59 1HB PRO 59 26.972 7.673 -27.789 403 1HG PRO 59 1HG PRO 59 28.168 6.855 -25.977 404 2HG PRO 59 2HG PRO 59 28.988 8.405 -25.704 405 1HD PRO 59 1HD PRO 59 26.206 7.573 -24.960 406 2HD PRO 59 2HD PRO 59 27.391 8.513 -24.026 407 H PHE 60 H PHE 60 26.130 11.410 -28.761 408 HA PHE 60 HA PHE 60 23.573 10.076 -29.376 409 1HB PHE 60 1HB PHE 60 22.954 12.320 -30.391 410 2HB PHE 60 2HB PHE 60 23.122 12.287 -28.640 411 HD1 PHE 60 HD1 PHE 60 25.440 12.734 -31.535 412 HD2 PHE 60 HD2 PHE 60 24.048 14.184 -27.785 413 HE1 PHE 60 HE1 PHE 60 27.051 14.587 -31.657 414 HE2 PHE 60 HE2 PHE 60 25.655 16.041 -27.902 415 HZ PHE 60 HZ PHE 60 27.161 16.240 -29.838 416 H THR 61 H THR 61 22.883 10.754 -31.780 417 HA THR 61 HA THR 61 25.197 10.135 -33.498 418 HB THR 61 HB THR 61 22.552 9.349 -34.523 419 HG1 THR 61 HG1 THR 61 23.634 8.251 -32.150 420 1HG2 THR 61 1HG2 THR 61 24.670 8.824 -35.655 421 2HG2 THR 61 2HG2 THR 61 25.178 7.884 -34.251 422 3HG2 THR 61 3HG2 THR 61 23.790 7.362 -35.206 423 H TYR 62 H TYR 62 25.645 11.638 -34.946 424 HA TYR 62 HA TYR 62 23.480 13.141 -36.189 425 1HB TYR 62 1HB TYR 62 24.189 14.544 -34.309 426 2HB TYR 62 2HB TYR 62 25.858 14.466 -34.865 427 HD1 TYR 62 HD1 TYR 62 22.486 15.732 -35.713 428 HD2 TYR 62 HD2 TYR 62 26.652 15.926 -36.553 429 HE1 TYR 62 HE1 TYR 62 22.105 17.719 -37.111 430 HE2 TYR 62 HE2 TYR 62 26.283 17.914 -37.954 431 HH TYR 62 HH TYR 62 24.412 19.801 -38.018 432 H ASN 63 H ASN 63 23.822 13.519 -38.311 433 HA ASN 63 HA ASN 63 24.847 13.624 -40.345 434 1HB ASN 63 1HB ASN 63 26.589 14.929 -38.928 435 2HB ASN 63 2HB ASN 63 27.547 13.455 -39.037 436 2HD2 ASN 63 1HD2 ASN 63 27.174 16.376 -40.352 437 1HD2 ASN 63 2HD2 ASN 63 27.712 16.069 -41.964 438 H GLY 64 H GLY 64 24.822 11.096 -38.342 439 1HA GLY 64 1HA GLY 64 24.679 8.877 -39.276 440 2HA GLY 64 2HA GLY 64 25.960 9.315 -40.396 441 H ARG 65 H ARG 65 27.071 10.656 -37.728 442 HA ARG 65 HA ARG 65 28.474 8.210 -36.878 443 1HB ARG 65 2HB ARG 65 29.870 9.964 -37.967 444 2HB ARG 65 1HB ARG 65 30.372 9.578 -36.327 445 1HG ARG 65 1HG ARG 65 28.486 11.835 -36.689 446 2HG ARG 65 2HG ARG 65 29.785 11.619 -35.519 447 1HD ARG 65 2HD ARG 65 31.438 12.013 -37.277 448 2HD ARG 65 1HD ARG 65 30.339 13.381 -37.101 449 HE ARG 65 HE ARG 65 29.306 11.692 -39.059 450 1HH1 ARG 65 1HH1 ARG 65 32.064 13.751 -38.551 451 2HH1 ARG 65 2HH1 ARG 65 32.270 14.110 -40.233 452 1HH2 ARG 65 1HH2 ARG 65 29.567 12.156 -41.277 453 2HH2 ARG 65 2HH2 ARG 65 30.850 13.203 -41.783 454 H THR 66 H THR 66 29.689 9.311 -34.599 455 HA THR 66 HA THR 66 27.431 10.019 -32.859 456 HB THR 66 HB THR 66 29.449 8.104 -31.790 457 HG1 THR 66 HG1 THR 66 27.158 7.070 -33.063 458 1HG2 THR 66 1HG2 THR 66 27.606 9.209 -30.448 459 2HG2 THR 66 2HG2 THR 66 26.469 8.225 -31.369 460 3HG2 THR 66 3HG2 THR 66 27.682 7.450 -30.350 461 H PHE 67 H PHE 67 28.055 11.007 -30.843 462 HA PHE 67 HA PHE 67 30.833 11.878 -30.631 463 1HB PHE 67 1HB PHE 67 28.658 13.943 -30.443 464 2HB PHE 67 2HB PHE 67 30.388 14.181 -30.663 465 HD1 PHE 67 HD1 PHE 67 27.508 12.563 -32.409 466 HD2 PHE 67 HD2 PHE 67 31.123 14.786 -32.745 467 HE1 PHE 67 HE1 PHE 67 27.167 12.749 -34.839 468 HE2 PHE 67 HE2 PHE 67 30.788 14.974 -35.173 469 HZ PHE 67 HZ PHE 67 28.805 13.957 -36.223 470 H TYR 68 H TYR 68 31.503 12.285 -28.565 471 HA TYR 68 HA TYR 68 29.583 11.627 -26.446 472 1HB TYR 68 2HB TYR 68 31.510 11.119 -25.062 473 2HB TYR 68 1HB TYR 68 32.601 11.755 -26.289 474 HD1 TYR 68 HD1 TYR 68 29.732 9.811 -27.360 475 HD2 TYR 68 HD2 TYR 68 33.835 9.622 -26.264 476 HE1 TYR 68 HE1 TYR 68 29.895 7.577 -28.376 477 HE2 TYR 68 HE2 TYR 68 34.014 7.393 -27.284 478 HH TYR 68 HH TYR 68 32.784 6.089 -29.091 479 H SER 69 H SER 69 30.295 14.328 -27.874 480 HA SER 69 HA SER 69 29.775 15.963 -25.609 481 1HB SER 69 2HB SER 69 31.813 16.648 -24.974 482 2HB SER 69 1HB SER 69 32.270 17.006 -26.639 483 HG SER 69 HG SER 69 33.566 15.371 -26.362 484 H CYS 70 H CYS 70 30.281 18.403 -26.319 485 HA CYS 70 HA CYS 70 28.537 19.014 -28.376 486 1HB CYS 70 2HB CYS 70 29.374 21.287 -28.203 487 2HB CYS 70 1HB CYS 70 30.828 20.723 -27.389 488 H THR 71 H THR 71 29.050 20.226 -30.394 489 HA THR 71 HA THR 71 31.598 19.832 -31.644 490 HB THR 71 HB THR 71 30.690 17.561 -31.889 491 HG1 THR 71 HG1 THR 71 31.907 17.940 -33.622 492 1HG2 THR 71 1HG2 THR 71 28.413 19.011 -33.223 493 2HG2 THR 71 2HG2 THR 71 28.733 17.295 -33.481 494 3HG2 THR 71 3HG2 THR 71 28.342 17.887 -31.866 495 H THR 72 H THR 72 31.372 20.359 -34.100 496 HA THR 72 HA THR 72 29.319 22.438 -34.466 497 HB THR 72 HB THR 72 31.112 23.706 -35.783 498 HG1 THR 72 HG1 THR 72 32.537 21.589 -35.098 499 1HG2 THR 72 1HG2 THR 72 30.902 23.450 -32.825 500 2HG2 THR 72 2HG2 THR 72 32.205 24.440 -33.482 501 3HG2 THR 72 3HG2 THR 72 30.527 24.821 -33.869 502 H GLU 73 H GLU 73 29.302 19.729 -35.413 503 HA GLU 73 HA GLU 73 30.052 19.778 -38.199 504 1HB GLU 73 1HB GLU 73 28.646 17.766 -36.456 505 2HB GLU 73 2HB GLU 73 28.828 17.532 -38.189 506 1HG GLU 73 1HG GLU 73 31.166 18.030 -36.374 507 2HG GLU 73 2HG GLU 73 30.537 16.415 -36.700 508 H GLY 74 H GLY 74 27.738 21.395 -36.742 509 1HA GLY 74 1HA GLY 74 25.802 20.949 -38.929 510 2HA GLY 74 2HA GLY 74 25.290 21.273 -37.281 511 H ARG 75 H ARG 75 28.058 23.026 -38.077 512 HA ARG 75 HA ARG 75 26.525 25.317 -39.072 513 1HB ARG 75 1HB ARG 75 27.861 26.749 -37.414 514 2HB ARG 75 2HB ARG 75 26.503 25.827 -36.787 515 1HG ARG 75 1HG ARG 75 28.760 24.159 -36.598 516 2HG ARG 75 2HG ARG 75 29.248 25.749 -36.013 517 1HD ARG 75 1HD ARG 75 28.191 24.008 -34.383 518 2HD ARG 75 2HD ARG 75 27.764 25.710 -34.261 519 HE ARG 75 HE ARG 75 26.083 23.562 -35.342 520 1HH1 ARG 75 1HH1 ARG 75 26.435 26.914 -34.403 521 2HH1 ARG 75 2HH1 ARG 75 24.732 27.215 -34.400 522 1HH2 ARG 75 1HH2 ARG 75 23.848 23.971 -35.340 523 2HH2 ARG 75 2HH2 ARG 75 23.265 25.550 -34.932 524 H GLN 76 H GLN 76 28.266 27.238 -39.297 525 HA GLN 76 HA GLN 76 30.694 26.130 -40.525 526 1HB GLN 76 2HB GLN 76 30.430 27.390 -42.497 527 2HB GLN 76 1HB GLN 76 29.173 28.395 -41.788 528 1HG GLN 76 1HG GLN 76 28.323 25.674 -41.746 529 2HG GLN 76 2HG GLN 76 27.605 27.056 -42.573 530 2HE2 GLN 76 1HE2 GLN 76 27.161 26.371 -44.552 531 1HE2 GLN 76 2HE2 GLN 76 28.271 25.588 -45.620 532 H ASP 77 H ASP 77 29.577 27.997 -38.160 533 HA ASP 77 HA ASP 77 31.439 30.216 -38.515 534 1HB ASP 77 1HB ASP 77 28.964 29.805 -37.057 535 2HB ASP 77 2HB ASP 77 30.216 30.483 -36.023 536 H GLY 78 H GLY 78 30.595 28.012 -35.852 537 1HA GLY 78 1HA GLY 78 32.730 26.653 -35.229 538 2HA GLY 78 2HA GLY 78 33.347 28.256 -34.868 539 H HIS 79 H HIS 79 30.051 27.157 -34.291 540 HA HIS 79 HA HIS 79 30.493 27.618 -31.425 541 1HB HIS 79 2HB HIS 79 28.066 27.917 -31.263 542 2HB HIS 79 1HB HIS 79 27.895 27.537 -32.974 543 HD1 HIS 79 HD1 HIS 79 30.824 29.569 -32.599 544 HD2 HIS 79 HD2 HIS 79 26.735 30.288 -32.782 545 HE1 HIS 79 HE1 HIS 79 30.596 32.005 -33.176 546 HE2 HIS 79 HE2 HIS 79 28.114 32.438 -33.192 547 H LEU 80 H LEU 80 30.736 25.876 -30.211 548 HA LEU 80 HA LEU 80 30.100 23.254 -31.146 549 1HB LEU 80 1HB LEU 80 31.226 24.413 -28.637 550 2HB LEU 80 2HB LEU 80 30.621 22.768 -28.602 551 HG LEU 80 HG LEU 80 32.183 22.141 -30.384 552 1HD1 LEU 80 1HD1 LEU 80 32.469 25.017 -30.591 553 2HD1 LEU 80 2HD1 LEU 80 34.027 24.199 -30.465 554 3HD1 LEU 80 3HD1 LEU 80 32.897 23.752 -31.742 555 1HD2 LEU 80 1HD2 LEU 80 33.107 23.299 -27.814 556 2HD2 LEU 80 2HD2 LEU 80 33.178 21.638 -28.400 557 3HD2 LEU 80 3HD2 LEU 80 34.332 22.833 -28.993 558 H TRP 81 H TRP 81 28.315 22.066 -30.833 559 HA TRP 81 HA TRP 81 26.392 22.929 -28.793 560 1HB TRP 81 2HB TRP 81 25.649 23.853 -30.944 561 2HB TRP 81 1HB TRP 81 24.533 22.626 -30.356 562 HD1 TRP 81 HD1 TRP 81 26.849 23.414 -33.231 563 HE1 TRP 81 HE1 TRP 81 26.610 21.602 -35.044 564 HE3 TRP 81 HE3 TRP 81 24.018 20.047 -30.633 565 HZ2 TRP 81 HZ2 TRP 81 25.379 19.076 -35.330 566 HZ3 TRP 81 HZ3 TRP 81 23.351 17.957 -31.747 567 HH2 TRP 81 HH2 TRP 81 24.019 17.483 -34.047 568 H CYS 82 H CYS 82 24.972 21.305 -28.039 569 HA CYS 82 HA CYS 82 25.632 18.553 -28.830 570 1HB CYS 82 1HB CYS 82 25.721 17.833 -26.517 571 2HB CYS 82 2HB CYS 82 26.896 19.117 -26.776 572 H SER 83 H SER 83 23.977 16.979 -28.233 573 HA SER 83 HA SER 83 21.344 18.078 -28.634 574 1HB SER 83 1HB SER 83 21.686 16.095 -29.839 575 2HB SER 83 2HB SER 83 22.448 15.285 -28.471 576 HG SER 83 HG SER 83 20.441 14.462 -28.502 577 H THR 84 H THR 84 19.648 18.111 -27.230 578 HA THR 84 HA THR 84 20.323 17.881 -24.411 579 HB THR 84 HB THR 84 18.086 18.906 -24.028 580 HG1 THR 84 HG1 THR 84 17.989 19.180 -26.863 581 1HG2 THR 84 1HG2 THR 84 20.236 20.164 -25.632 582 2HG2 THR 84 2HG2 THR 84 18.715 21.048 -25.509 583 3HG2 THR 84 3HG2 THR 84 19.598 20.604 -24.048 584 H THR 85 H THR 85 18.273 16.356 -26.808 585 HA THR 85 HA THR 85 17.560 14.320 -24.807 586 HB THR 85 HB THR 85 15.671 15.906 -25.714 587 HG1 THR 85 HG1 THR 85 15.397 13.990 -24.405 588 1HG2 THR 85 1HG2 THR 85 15.871 13.843 -27.910 589 2HG2 THR 85 2HG2 THR 85 14.530 14.969 -27.683 590 3HG2 THR 85 3HG2 THR 85 16.135 15.579 -28.087 591 H SER 86 H SER 86 17.090 12.184 -25.739 592 HA SER 86 HA SER 86 19.159 11.198 -27.276 593 1HB SER 86 1HB SER 86 17.471 9.915 -25.833 594 2HB SER 86 2HB SER 86 16.427 9.923 -27.254 595 HG SER 86 HG SER 86 18.782 8.532 -26.781 596 H ASN 87 H ASN 87 15.819 11.816 -28.366 597 HA ASN 87 HA ASN 87 16.653 11.514 -31.134 598 1HB ASN 87 1HB ASN 87 14.225 11.152 -29.706 599 2HB ASN 87 2HB ASN 87 13.947 12.411 -30.905 600 2HD2 ASN 87 1HD2 ASN 87 12.517 10.932 -31.935 601 1HD2 ASN 87 2HD2 ASN 87 13.136 9.686 -32.959 602 H TYR 88 H TYR 88 18.048 13.380 -31.219 603 HA TYR 88 HA TYR 88 16.936 16.002 -30.819 604 1HB TYR 88 1HB TYR 88 19.247 15.886 -30.394 605 2HB TYR 88 2HB TYR 88 19.562 14.970 -31.864 606 HD1 TYR 88 HD1 TYR 88 18.844 18.313 -30.504 607 HD2 TYR 88 HD2 TYR 88 19.877 16.078 -33.971 608 HE1 TYR 88 HE1 TYR 88 19.411 20.400 -31.670 609 HE2 TYR 88 HE2 TYR 88 20.447 18.159 -35.151 610 HH TYR 88 HH TYR 88 21.133 20.890 -33.834 611 H GLU 89 H GLU 89 17.420 13.806 -33.479 612 HA GLU 89 HA GLU 89 16.963 15.710 -35.551 613 1HB GLU 89 1HB GLU 89 17.019 12.709 -35.429 614 2HB GLU 89 2HB GLU 89 16.478 13.532 -36.885 615 1HG GLU 89 1HG GLU 89 18.826 14.819 -36.318 616 2HG GLU 89 2HG GLU 89 19.166 13.160 -35.828 617 H GLN 90 H GLN 90 14.954 14.310 -33.268 618 HA GLN 90 HA GLN 90 12.575 14.504 -34.966 619 1HB GLN 90 1HB GLN 90 12.213 12.531 -33.916 620 2HB GLN 90 2HB GLN 90 13.314 12.916 -32.603 621 1HG GLN 90 1HG GLN 90 11.197 12.677 -31.625 622 2HG GLN 90 2HG GLN 90 11.502 14.411 -31.684 623 2HE2 GLN 90 1HE2 GLN 90 8.971 13.069 -31.473 624 1HE2 GLN 90 2HE2 GLN 90 8.040 13.531 -32.853 625 H ASP 91 H ASP 91 13.848 15.596 -31.849 626 HA ASP 91 HA ASP 91 11.687 17.499 -31.529 627 1HB ASP 91 1HB ASP 91 13.780 16.356 -29.840 628 2HB ASP 91 2HB ASP 91 13.561 18.083 -29.587 629 H GLN 92 H GLN 92 15.203 17.594 -31.999 630 HA GLN 92 HA GLN 92 16.475 19.090 -33.180 631 1HB GLN 92 1HB GLN 92 13.884 19.697 -34.076 632 2HB GLN 92 2HB GLN 92 14.598 21.236 -33.615 633 1HG GLN 92 1HG GLN 92 15.073 20.924 -35.902 634 2HG GLN 92 2HG GLN 92 16.577 20.626 -35.032 635 2HE2 GLN 92 1HE2 GLN 92 13.830 19.052 -36.570 636 1HE2 GLN 92 2HE2 GLN 92 14.658 17.588 -36.969 637 H LYS 93 H LYS 93 16.312 19.097 -30.387 638 HA LYS 93 HA LYS 93 16.725 21.959 -29.812 639 1HB LYS 93 1HB LYS 93 16.315 20.639 -27.365 640 2HB LYS 93 2HB LYS 93 15.245 21.789 -28.153 641 1HG LYS 93 1HG LYS 93 13.835 20.022 -27.854 642 2HG LYS 93 2HG LYS 93 14.447 19.680 -29.473 643 1HD LYS 93 1HD LYS 93 15.197 17.709 -28.765 644 2HD LYS 93 2HD LYS 93 16.245 18.530 -27.606 645 1HE LYS 93 1HE LYS 93 13.358 18.177 -26.951 646 2HE LYS 93 2HE LYS 93 14.442 16.793 -26.807 647 1HZ LYS 93 1HZ LYS 93 15.844 18.109 -25.328 648 2HZ LYS 93 2HZ LYS 93 14.773 19.412 -25.446 649 3HZ LYS 93 3HZ LYS 93 14.271 17.970 -24.719 650 H TYR 94 H TYR 94 18.774 22.442 -29.440 651 HA TYR 94 HA TYR 94 20.481 20.447 -28.119 652 1HB TYR 94 1HB TYR 94 22.300 20.906 -29.624 653 2HB TYR 94 2HB TYR 94 20.890 20.488 -30.584 654 HD1 TYR 94 HD1 TYR 94 22.605 23.508 -29.197 655 HD2 TYR 94 HD2 TYR 94 20.370 21.821 -32.401 656 HE1 TYR 94 HE1 TYR 94 22.860 25.599 -30.471 657 HE2 TYR 94 HE2 TYR 94 20.618 23.905 -33.680 658 HH TYR 94 HH TYR 94 22.433 26.664 -32.368 659 H SER 95 H SER 95 22.636 21.510 -27.467 660 HA SER 95 HA SER 95 22.172 24.252 -26.510 661 1HB SER 95 1HB SER 95 23.766 23.055 -24.563 662 2HB SER 95 2HB SER 95 22.056 23.454 -24.413 663 HG SER 95 HG SER 95 22.967 21.124 -24.147 664 H PHE 96 H PHE 96 23.958 25.584 -26.465 665 HA PHE 96 HA PHE 96 26.093 24.874 -28.217 666 1HB PHE 96 1HB PHE 96 25.379 27.305 -26.625 667 2HB PHE 96 2HB PHE 96 26.987 27.175 -27.332 668 HD1 PHE 96 HD1 PHE 96 26.438 25.832 -29.866 669 HD2 PHE 96 HD2 PHE 96 24.281 28.915 -27.877 670 HE1 PHE 96 HE1 PHE 96 25.551 26.600 -32.029 671 HE2 PHE 96 HE2 PHE 96 23.384 29.685 -30.036 672 HZ PHE 96 HZ PHE 96 24.018 28.526 -32.115 673 H CYS 97 H CYS 97 28.389 25.791 -27.361 674 HA CYS 97 HA CYS 97 28.983 24.704 -24.721 675 1HB CYS 97 1HB CYS 97 29.433 23.227 -27.097 676 2HB CYS 97 2HB CYS 97 31.008 23.766 -26.521 677 H THR 98 H THR 98 30.830 25.541 -23.778 678 HA THR 98 HA THR 98 31.678 28.083 -24.700 679 HB THR 98 HB THR 98 32.768 28.314 -22.706 680 HG1 THR 98 HG1 THR 98 33.932 26.643 -21.711 681 1HG2 THR 98 1HG2 THR 98 30.412 27.409 -22.346 682 2HG2 THR 98 2HG2 THR 98 31.181 25.874 -21.937 683 3HG2 THR 98 3HG2 THR 98 31.515 27.313 -20.973 684 H ASP 99 H ASP 99 33.078 24.861 -24.834 685 HA ASP 99 HA ASP 99 34.663 24.033 -26.277 686 1HB ASP 99 1HB ASP 99 35.355 26.834 -27.138 687 2HB ASP 99 2HB ASP 99 35.560 25.330 -28.030 688 H HIS 100 H HIS 100 35.817 27.211 -25.135 689 HA HIS 100 HA HIS 100 38.439 26.760 -24.756 690 1HB HIS 100 1HB HIS 100 36.455 28.452 -23.450 691 2HB HIS 100 2HB HIS 100 37.801 28.049 -22.389 692 HD1 HIS 100 HD1 HIS 100 37.394 29.294 -25.972 693 HD2 HIS 100 HD2 HIS 100 39.833 29.800 -22.646 694 HE1 HIS 100 HE1 HIS 100 39.059 31.064 -26.621 695 HE2 HIS 100 HE2 HIS 100 40.492 31.390 -24.575 696 H THR 101 H THR 101 36.421 26.500 -21.862 697 HA THR 101 HA THR 101 36.703 25.232 -19.974 698 HB THR 101 HB THR 101 35.553 23.697 -21.670 699 HG1 THR 101 HG1 THR 101 36.450 23.277 -19.225 700 1HG2 THR 101 1HG2 THR 101 38.350 22.572 -21.748 701 2HG2 THR 101 2HG2 THR 101 36.920 21.666 -22.239 702 3HG2 THR 101 3HG2 THR 101 37.376 23.132 -23.107 No H/Q in entry = 702 Start of MODEL 16 1 H1 TYR 1 H1 TYR 1 51.533 11.689 -44.669 2 H2 TYR 1 H2 TYR 1 52.335 12.788 -43.665 3 H3 TYR 1 H3 TYR 1 53.149 11.422 -44.242 4 HA TYR 1 HA TYR 1 51.979 9.965 -42.888 5 1HB TYR 1 1HB TYR 1 53.058 12.431 -41.725 6 2HB TYR 1 2HB TYR 1 51.954 11.577 -40.651 7 HD1 TYR 1 HD1 TYR 1 52.522 8.767 -41.340 8 HD2 TYR 1 HD2 TYR 1 55.173 12.054 -40.822 9 HE1 TYR 1 HE1 TYR 1 54.323 7.210 -40.726 10 HE2 TYR 1 HE2 TYR 1 56.983 10.506 -40.207 11 HH TYR 1 HH TYR 1 57.436 7.884 -40.780 12 H GLY 2 H GLY 2 50.221 9.494 -41.430 13 1HA GLY 2 1HA GLY 2 48.126 11.203 -40.780 14 2HA GLY 2 2HA GLY 2 47.734 10.499 -42.342 15 H HIS 3 H HIS 3 49.486 8.914 -39.725 16 HA HIS 3 HA HIS 3 47.216 7.061 -39.431 17 1HB HIS 3 1HB HIS 3 50.116 6.579 -39.818 18 2HB HIS 3 2HB HIS 3 49.297 5.536 -38.662 19 HD1 HIS 3 HD1 HIS 3 49.870 6.003 -42.231 20 HD2 HIS 3 HD2 HIS 3 47.071 4.063 -39.850 21 HE1 HIS 3 HE1 HIS 3 48.693 4.388 -43.757 22 HE2 HIS 3 HE2 HIS 3 47.077 3.152 -42.271 23 H CYS 4 H CYS 4 46.543 6.577 -37.401 24 HA CYS 4 HA CYS 4 48.100 7.719 -35.170 25 1HB CYS 4 1HB CYS 4 45.698 7.852 -34.089 26 2HB CYS 4 2HB CYS 4 46.277 9.122 -35.153 27 H VAL 5 H VAL 5 47.010 6.775 -33.013 28 HA VAL 5 HA VAL 5 46.253 4.012 -33.180 29 HB VAL 5 HB VAL 5 48.123 2.986 -32.187 30 1HG1 VAL 5 1HG1 VAL 5 48.424 3.427 -34.569 31 2HG1 VAL 5 2HG1 VAL 5 49.209 4.961 -34.191 32 3HG1 VAL 5 3HG1 VAL 5 49.967 3.441 -33.716 33 1HG2 VAL 5 1HG2 VAL 5 48.911 5.763 -31.470 34 2HG2 VAL 5 2HG2 VAL 5 48.899 4.300 -30.485 35 3HG2 VAL 5 3HG2 VAL 5 50.179 4.554 -31.672 36 H THR 6 H THR 6 47.254 3.393 -30.511 37 HA THR 6 HA THR 6 45.774 5.355 -28.894 38 HB THR 6 HB THR 6 44.717 3.567 -27.609 39 HG1 THR 6 HG1 THR 6 44.939 1.416 -28.271 40 1HG2 THR 6 1HG2 THR 6 43.692 4.539 -29.733 41 2HG2 THR 6 2HG2 THR 6 44.175 3.036 -30.521 42 3HG2 THR 6 3HG2 THR 6 43.042 2.998 -29.170 43 H ASP 7 H ASP 7 46.917 2.297 -27.652 44 HA ASP 7 HA ASP 7 48.795 3.753 -25.950 45 1HB ASP 7 2HB ASP 7 48.491 2.137 -24.364 46 2HB ASP 7 1HB ASP 7 48.344 0.847 -25.553 47 H SER 8 H SER 8 48.675 0.986 -28.143 48 HA SER 8 HA SER 8 50.975 1.264 -29.483 49 1HB SER 8 1HB SER 8 52.472 1.394 -27.718 50 2HB SER 8 2HB SER 8 51.555 0.263 -26.722 51 HG SER 8 HG SER 8 52.624 -0.726 -29.091 52 H GLY 9 H GLY 9 49.006 0.130 -30.473 53 1HA GLY 9 1HA GLY 9 49.745 -2.567 -31.020 54 2HA GLY 9 2HA GLY 9 48.318 -2.505 -30.001 55 H VAL 10 H VAL 10 46.733 -0.683 -30.880 56 HA VAL 10 HA VAL 10 45.944 -1.610 -33.492 57 HB VAL 10 HB VAL 10 44.593 0.666 -32.088 58 1HG1 VAL 10 1HG1 VAL 10 43.817 -1.505 -33.991 59 2HG1 VAL 10 2HG1 VAL 10 42.596 -0.724 -32.988 60 3HG1 VAL 10 3HG1 VAL 10 43.558 0.235 -34.113 61 1HG2 VAL 10 1HG2 VAL 10 44.369 -2.246 -31.336 62 2HG2 VAL 10 2HG2 VAL 10 44.968 -0.935 -30.319 63 3HG2 VAL 10 3HG2 VAL 10 43.271 -0.976 -30.795 64 H VAL 11 H VAL 11 45.902 -0.458 -35.390 65 HA VAL 11 HA VAL 11 47.423 2.064 -35.372 66 HB VAL 11 HB VAL 11 47.024 0.189 -37.707 67 1HG1 VAL 11 1HG1 VAL 11 48.592 2.705 -37.287 68 2HG1 VAL 11 2HG1 VAL 11 49.086 1.521 -38.497 69 3HG1 VAL 11 3HG1 VAL 11 47.498 2.280 -38.603 70 1HG2 VAL 11 1HG2 VAL 11 48.635 -0.206 -35.453 71 2HG2 VAL 11 2HG2 VAL 11 48.702 -1.078 -36.985 72 3HG2 VAL 11 3HG2 VAL 11 49.724 0.336 -36.729 73 H TYR 12 H TYR 12 45.845 3.574 -35.165 74 HA TYR 12 HA TYR 12 43.401 3.478 -36.668 75 1HB TYR 12 1HB TYR 12 44.678 5.584 -34.923 76 2HB TYR 12 2HB TYR 12 43.146 5.837 -35.752 77 HD1 TYR 12 HD1 TYR 12 43.724 2.461 -34.670 78 HD2 TYR 12 HD2 TYR 12 42.265 6.256 -33.443 79 HE1 TYR 12 HE1 TYR 12 42.516 1.386 -32.815 80 HE2 TYR 12 HE2 TYR 12 41.043 5.195 -31.583 81 HH TYR 12 HH TYR 12 40.268 2.156 -31.392 82 H SER 13 H SER 13 43.014 6.025 -37.591 83 HA SER 13 HA SER 13 45.210 6.595 -39.434 84 1HB SER 13 1HB SER 13 42.463 5.690 -40.202 85 2HB SER 13 2HB SER 13 43.327 6.819 -41.245 86 HG SER 13 HG SER 13 44.738 5.301 -41.752 87 H VAL 14 H VAL 14 45.158 8.674 -40.368 88 HA VAL 14 HA VAL 14 44.471 10.765 -38.734 89 HB VAL 14 HB VAL 14 45.981 11.203 -40.505 90 1HG1 VAL 14 1HG1 VAL 14 45.033 9.475 -42.042 91 2HG1 VAL 14 2HG1 VAL 14 43.792 10.640 -42.498 92 3HG1 VAL 14 3HG1 VAL 14 45.488 10.982 -42.834 93 1HG2 VAL 14 1HG2 VAL 14 43.728 12.813 -40.063 94 2HG2 VAL 14 2HG2 VAL 14 45.294 13.307 -40.706 95 3HG2 VAL 14 3HG2 VAL 14 44.001 12.827 -41.806 96 H GLY 15 H GLY 15 42.367 10.444 -37.917 97 1HA GLY 15 1HA GLY 15 40.294 11.798 -38.237 98 2HA GLY 15 2HA GLY 15 40.210 11.073 -39.834 99 H MET 16 H MET 16 41.182 9.289 -36.992 100 HA MET 16 HA MET 16 39.116 7.348 -37.435 101 1HB MET 16 1HB MET 16 41.492 6.909 -36.589 102 2HB MET 16 2HB MET 16 40.927 7.494 -35.030 103 1HG MET 16 2HG MET 16 39.248 5.736 -34.967 104 2HG MET 16 1HG MET 16 40.871 5.075 -35.133 105 1HE MET 16 1HE MET 16 41.184 3.291 -36.095 106 2HE MET 16 2HE MET 16 40.276 2.472 -37.368 107 3HE MET 16 3HE MET 16 41.557 3.609 -37.790 108 H GLN 17 H GLN 17 39.739 9.914 -35.112 109 HA GLN 17 HA GLN 17 38.528 10.697 -33.332 110 1HB GLN 17 1HB GLN 17 36.970 10.743 -35.732 111 2HB GLN 17 2HB GLN 17 35.899 10.452 -34.368 112 1HG GLN 17 1HG GLN 17 37.285 12.445 -33.323 113 2HG GLN 17 2HG GLN 17 37.541 12.830 -35.023 114 2HE2 GLN 17 1HE2 GLN 17 35.262 12.654 -32.434 115 1HE2 GLN 17 2HE2 GLN 17 33.955 13.436 -33.246 116 H TRP 18 H TRP 18 38.668 9.278 -31.667 117 HA TRP 18 HA TRP 18 36.450 7.369 -31.400 118 1HB TRP 18 1HB TRP 18 37.918 5.717 -30.415 119 2HB TRP 18 2HB TRP 18 38.532 6.166 -32.003 120 HD1 TRP 18 HD1 TRP 18 39.454 6.171 -28.337 121 HE1 TRP 18 HE1 TRP 18 41.875 6.988 -28.076 122 HE3 TRP 18 HE3 TRP 18 40.272 7.824 -33.107 123 HZ2 TRP 18 HZ2 TRP 18 43.877 8.181 -29.681 124 HZ3 TRP 18 HZ3 TRP 18 42.462 8.794 -33.656 125 HH2 TRP 18 HH2 TRP 18 44.224 8.967 -31.981 126 H LEU 19 H LEU 19 36.924 6.420 -28.908 127 HA LEU 19 HA LEU 19 37.296 8.703 -27.142 128 1HB LEU 19 1HB LEU 19 34.929 8.770 -27.622 129 2HB LEU 19 2HB LEU 19 34.768 7.065 -27.240 130 HG LEU 19 HG LEU 19 35.813 8.071 -24.912 131 1HD1 LEU 19 1HD1 LEU 19 34.443 10.235 -26.351 132 2HD1 LEU 19 2HD1 LEU 19 33.920 9.988 -24.686 133 3HD1 LEU 19 3HD1 LEU 19 35.618 10.304 -25.040 134 1HD2 LEU 19 1HD2 LEU 19 33.939 6.483 -25.211 135 2HD2 LEU 19 2HD2 LEU 19 33.613 7.721 -23.998 136 3HD2 LEU 19 3HD2 LEU 19 32.886 7.844 -25.600 137 H LYS 20 H LYS 20 38.581 8.115 -25.564 138 HA LYS 20 HA LYS 20 38.469 5.326 -24.623 139 1HB LYS 20 1HB LYS 20 40.955 5.603 -24.156 140 2HB LYS 20 2HB LYS 20 40.485 5.473 -25.840 141 1HG LYS 20 1HG LYS 20 41.914 7.213 -26.003 142 2HG LYS 20 2HG LYS 20 40.439 8.108 -25.645 143 1HD LYS 20 2HD LYS 20 41.140 7.851 -23.184 144 2HD LYS 20 1HD LYS 20 41.991 9.029 -24.184 145 1HE LYS 20 1HE LYS 20 43.001 6.669 -22.840 146 2HE LYS 20 2HE LYS 20 43.399 6.668 -24.556 147 1HZ LYS 20 1HZ LYS 20 44.244 8.981 -24.217 148 2HZ LYS 20 2HZ LYS 20 44.067 8.746 -22.551 149 3HZ LYS 20 3HZ LYS 20 45.139 7.779 -23.433 150 H THR 21 H THR 21 40.317 5.627 -22.525 151 HA THR 21 HA THR 21 38.871 7.466 -20.740 152 HB THR 21 HB THR 21 39.884 5.685 -19.002 153 HG1 THR 21 HG1 THR 21 40.727 4.223 -20.420 154 1HG2 THR 21 1HG2 THR 21 37.353 6.308 -20.061 155 2HG2 THR 21 2HG2 THR 21 37.458 4.547 -20.032 156 3HG2 THR 21 3HG2 THR 21 37.712 5.470 -18.551 157 H GLN 22 H GLN 22 40.342 7.557 -18.564 158 HA GLN 22 HA GLN 22 43.085 8.198 -19.410 159 1HB GLN 22 1HB GLN 22 41.202 9.913 -17.797 160 2HB GLN 22 2HB GLN 22 42.942 10.171 -17.813 161 1HG GLN 22 1HG GLN 22 41.483 10.029 -20.402 162 2HG GLN 22 2HG GLN 22 41.363 11.493 -19.426 163 2HE2 GLN 22 1HE2 GLN 22 42.989 12.919 -19.466 164 1HE2 GLN 22 2HE2 GLN 22 44.488 12.688 -20.292 165 H GLY 23 H GLY 23 41.432 6.147 -17.654 166 1HA GLY 23 1HA GLY 23 42.828 4.731 -16.188 167 2HA GLY 23 2HA GLY 23 43.353 6.213 -15.410 168 H ASN 24 H ASN 24 40.862 7.500 -15.197 169 HA ASN 24 HA ASN 24 39.218 5.667 -13.616 170 1HB ASN 24 1HB ASN 24 40.688 8.060 -12.591 171 2HB ASN 24 2HB ASN 24 39.121 7.656 -11.895 172 2HD2 ASN 24 1HD2 ASN 24 42.371 7.196 -11.636 173 1HD2 ASN 24 2HD2 ASN 24 42.381 5.749 -10.692 174 H LYS 25 H LYS 25 39.235 7.697 -16.078 175 HA LYS 25 HA LYS 25 36.435 8.387 -15.721 176 1HB LYS 25 1HB LYS 25 36.881 10.748 -16.511 177 2HB LYS 25 2HB LYS 25 37.379 10.386 -14.864 178 1HG LYS 25 1HG LYS 25 39.372 10.091 -17.050 179 2HG LYS 25 2HG LYS 25 38.941 11.711 -16.500 180 1HD LYS 25 1HD LYS 25 39.569 9.677 -14.431 181 2HD LYS 25 2HD LYS 25 40.911 10.310 -15.388 182 1HE LYS 25 1HE LYS 25 39.872 12.625 -14.815 183 2HE LYS 25 2HE LYS 25 39.075 11.743 -13.513 184 1HZ LYS 25 1HZ LYS 25 41.507 10.898 -13.105 185 2HZ LYS 25 2HZ LYS 25 41.916 12.342 -13.884 186 3HZ LYS 25 3HZ LYS 25 40.982 12.377 -12.474 187 H GLN 26 H GLN 26 35.866 9.823 -17.865 188 HA GLN 26 HA GLN 26 36.726 8.113 -20.095 189 1HB GLN 26 1HB GLN 26 34.194 9.532 -19.425 190 2HB GLN 26 2HB GLN 26 34.603 9.355 -21.126 191 1HG GLN 26 1HG GLN 26 34.572 7.002 -20.994 192 2HG GLN 26 2HG GLN 26 34.547 7.030 -19.230 193 2HE2 GLN 26 1HE2 GLN 26 32.705 5.529 -19.820 194 1HE2 GLN 26 2HE2 GLN 26 31.142 6.251 -19.969 195 H MET 27 H MET 27 37.330 9.017 -22.080 196 HA MET 27 HA MET 27 37.526 11.899 -22.345 197 1HB MET 27 1HB MET 27 39.547 11.138 -21.031 198 2HB MET 27 2HB MET 27 40.042 10.234 -22.455 199 1HG MET 27 1HG MET 27 39.815 12.523 -23.660 200 2HG MET 27 2HG MET 27 39.929 13.179 -22.033 201 1HE MET 27 1HE MET 27 41.788 14.184 -21.446 202 2HE MET 27 2HE MET 27 43.471 13.766 -21.763 203 3HE MET 27 3HE MET 27 42.486 14.481 -23.039 204 H LEU 28 H LEU 28 37.161 12.431 -24.413 205 HA LEU 28 HA LEU 28 37.058 10.336 -26.405 206 1HB LEU 28 1HB LEU 28 35.262 11.911 -26.447 207 2HB LEU 28 2HB LEU 28 36.374 13.267 -26.498 208 HG LEU 28 HG LEU 28 37.014 11.729 -28.744 209 1HD1 LEU 28 1HD1 LEU 28 34.549 10.860 -28.076 210 2HD1 LEU 28 2HD1 LEU 28 34.137 12.243 -29.087 211 3HD1 LEU 28 3HD1 LEU 28 35.150 10.949 -29.731 212 1HD2 LEU 28 1HD2 LEU 28 36.837 14.276 -28.292 213 2HD2 LEU 28 2HD2 LEU 28 36.525 13.665 -29.918 214 3HD2 LEU 28 3HD2 LEU 28 35.178 14.088 -28.861 215 H CYS 29 H CYS 29 38.762 9.780 -27.596 216 HA CYS 29 HA CYS 29 40.915 11.748 -27.958 217 1HB CYS 29 1HB CYS 29 40.839 8.788 -27.714 218 2HB CYS 29 2HB CYS 29 42.068 9.470 -28.773 219 H THR 30 H THR 30 41.694 12.283 -29.953 220 HA THR 30 HA THR 30 40.614 10.950 -32.316 221 HB THR 30 HB THR 30 40.343 13.935 -31.914 222 HG1 THR 30 HG1 THR 30 38.560 13.219 -30.967 223 1HG2 THR 30 1HG2 THR 30 39.837 12.125 -34.265 224 2HG2 THR 30 2HG2 THR 30 39.035 13.686 -34.104 225 3HG2 THR 30 3HG2 THR 30 40.794 13.604 -34.203 226 H CYS 31 H CYS 31 41.931 11.047 -34.085 227 HA CYS 31 HA CYS 31 44.524 12.363 -33.661 228 1HB CYS 31 1HB CYS 31 45.393 10.759 -35.348 229 2HB CYS 31 2HB CYS 31 44.738 9.972 -33.916 230 H LEU 32 H LEU 32 44.542 14.281 -34.599 231 HA LEU 32 HA LEU 32 42.986 14.858 -36.947 232 1HB LEU 32 1HB LEU 32 44.490 17.056 -36.700 233 2HB LEU 32 2HB LEU 32 43.047 16.771 -35.747 234 HG LEU 32 HG LEU 32 45.607 15.782 -34.618 235 1HD1 LEU 32 1HD1 LEU 32 45.091 18.602 -35.276 236 2HD1 LEU 32 2HD1 LEU 32 45.624 18.279 -33.627 237 3HD1 LEU 32 3HD1 LEU 32 46.612 17.757 -34.991 238 1HD2 LEU 32 1HD2 LEU 32 43.464 15.475 -33.466 239 2HD2 LEU 32 2HD2 LEU 32 44.563 16.501 -32.543 240 3HD2 LEU 32 3HD2 LEU 32 43.232 17.224 -33.445 241 H GLY 33 H GLY 33 46.226 16.146 -36.724 242 1HA GLY 33 1HA GLY 33 47.103 14.445 -38.946 243 2HA GLY 33 2HA GLY 33 47.090 16.184 -39.182 244 H ASN 34 H ASN 34 48.001 17.029 -36.695 245 HA ASN 34 HA ASN 34 50.808 16.534 -37.002 246 1HB ASN 34 2HB ASN 34 49.609 18.733 -36.282 247 2HB ASN 34 1HB ASN 34 51.153 18.315 -35.545 248 2HD2 ASN 34 1HD2 ASN 34 51.106 17.294 -33.448 249 1HD2 ASN 34 2HD2 ASN 34 49.827 17.676 -32.351 250 H GLY 35 H GLY 35 48.273 15.402 -34.913 251 1HA GLY 35 1HA GLY 35 49.869 13.251 -33.961 252 2HA GLY 35 2HA GLY 35 49.688 14.479 -32.718 253 H VAL 36 H VAL 36 48.286 13.690 -31.288 254 HA VAL 36 HA VAL 36 45.604 13.018 -32.220 255 HB VAL 36 HB VAL 36 47.338 11.154 -30.605 256 1HG1 VAL 36 1HG1 VAL 36 44.383 11.479 -30.562 257 2HG1 VAL 36 2HG1 VAL 36 45.045 9.845 -30.527 258 3HG1 VAL 36 3HG1 VAL 36 45.489 11.002 -29.273 259 1HG2 VAL 36 1HG2 VAL 36 46.151 11.174 -33.274 260 2HG2 VAL 36 2HG2 VAL 36 47.527 10.266 -32.648 261 3HG2 VAL 36 3HG2 VAL 36 45.887 9.677 -32.381 262 H SER 37 H SER 37 44.306 14.322 -31.132 263 HA SER 37 HA SER 37 45.003 15.037 -28.364 264 1HB SER 37 1HB SER 37 44.916 17.005 -29.728 265 2HB SER 37 2HB SER 37 43.385 16.510 -30.450 266 HG SER 37 HG SER 37 42.339 16.998 -28.603 267 H CYS 38 H CYS 38 43.174 15.354 -26.873 268 HA CYS 38 HA CYS 38 40.739 13.914 -27.569 269 1HB CYS 38 1HB CYS 38 42.093 13.174 -25.006 270 2HB CYS 38 2HB CYS 38 40.898 12.272 -25.925 271 H GLN 39 H GLN 39 39.363 13.837 -25.334 272 HA GLN 39 HA GLN 39 39.528 16.521 -24.137 273 1HB GLN 39 1HB GLN 39 37.406 15.397 -25.759 274 2HB GLN 39 2HB GLN 39 36.815 15.847 -24.166 275 1HG GLN 39 1HG GLN 39 38.245 18.041 -24.769 276 2HG GLN 39 2HG GLN 39 37.760 17.532 -26.385 277 2HE2 GLN 39 1HE2 GLN 39 35.416 17.047 -26.644 278 1HE2 GLN 39 2HE2 GLN 39 34.293 18.073 -25.824 279 H GLU 40 H GLU 40 39.717 16.421 -22.016 280 HA GLU 40 HA GLU 40 39.508 14.058 -20.507 281 1HB GLU 40 1HB GLU 40 40.282 16.776 -20.064 282 2HB GLU 40 2HB GLU 40 39.198 16.279 -18.772 283 1HG GLU 40 1HG GLU 40 41.584 14.656 -19.600 284 2HG GLU 40 2HG GLU 40 41.666 15.927 -18.381 285 H THR 41 H THR 41 37.434 13.211 -21.006 286 HA THR 41 HA THR 41 35.306 12.676 -20.394 287 HB THR 41 HB THR 41 36.013 14.651 -18.295 288 HG1 THR 41 HG1 THR 41 35.014 12.001 -18.415 289 1HG2 THR 41 1HG2 THR 41 33.159 13.803 -18.795 290 2HG2 THR 41 2HG2 THR 41 33.744 14.610 -17.340 291 3HG2 THR 41 3HG2 THR 41 33.791 15.449 -18.892 292 H ALA 42 H ALA 42 36.227 15.536 -21.804 293 HA ALA 42 HA ALA 42 35.172 17.169 -22.997 294 1HB ALA 42 1HB ALA 42 34.655 15.172 -24.341 295 2HB ALA 42 2HB ALA 42 33.148 14.983 -23.446 296 3HB ALA 42 3HB ALA 42 33.403 16.408 -24.451 297 H VAL 43 H VAL 43 34.688 18.536 -21.264 298 HA VAL 43 HA VAL 43 32.520 18.351 -19.535 299 HB VAL 43 HB VAL 43 32.748 20.769 -19.188 300 1HG1 VAL 43 1HG1 VAL 43 34.548 18.847 -18.561 301 2HG1 VAL 43 2HG1 VAL 43 35.575 20.008 -19.401 302 3HG1 VAL 43 3HG1 VAL 43 34.636 20.517 -17.998 303 1HG2 VAL 43 1HG2 VAL 43 34.616 20.629 -21.552 304 2HG2 VAL 43 2HG2 VAL 43 33.092 21.513 -21.456 305 3HG2 VAL 43 3HG2 VAL 43 34.466 22.015 -20.471 306 H THR 44 H THR 44 30.958 20.557 -19.679 307 HA THR 44 HA THR 44 29.830 21.162 -22.173 308 HB THR 44 HB THR 44 27.600 19.781 -21.360 309 HG1 THR 44 HG1 THR 44 28.598 17.566 -21.180 310 1HG2 THR 44 1HG2 THR 44 29.275 19.898 -23.582 311 2HG2 THR 44 2HG2 THR 44 29.203 18.185 -23.169 312 3HG2 THR 44 3HG2 THR 44 27.716 19.080 -23.480 313 H GLN 45 H GLN 45 28.803 23.023 -21.871 314 HA GLN 45 HA GLN 45 27.693 23.597 -19.207 315 1HB GLN 45 2HB GLN 45 28.139 25.895 -19.567 316 2HB GLN 45 1HB GLN 45 28.377 25.661 -21.293 317 1HG GLN 45 1HG GLN 45 30.421 24.362 -20.787 318 2HG GLN 45 2HG GLN 45 30.499 26.043 -20.263 319 2HE2 GLN 45 1HE2 GLN 45 31.815 25.984 -18.564 320 1HE2 GLN 45 2HE2 GLN 45 31.595 24.993 -17.166 321 H THR 46 H THR 46 25.761 22.408 -19.876 322 HA THR 46 HA THR 46 24.148 23.389 -22.022 323 HB THR 46 HB THR 46 22.386 21.906 -21.098 324 HG1 THR 46 HG1 THR 46 23.385 20.473 -19.331 325 1HG2 THR 46 1HG2 THR 46 25.155 20.900 -21.627 326 2HG2 THR 46 2HG2 THR 46 23.874 19.765 -21.202 327 3HG2 THR 46 3HG2 THR 46 23.711 20.784 -22.633 328 H TYR 47 H TYR 47 22.573 24.861 -22.029 329 HA TYR 47 HA TYR 47 21.579 25.916 -19.479 330 1HB TYR 47 1HB TYR 47 21.777 28.222 -20.336 331 2HB TYR 47 2HB TYR 47 23.348 27.439 -20.196 332 HD1 TYR 47 HD1 TYR 47 20.687 28.307 -22.636 333 HD2 TYR 47 HD2 TYR 47 24.776 27.290 -22.053 334 HE1 TYR 47 HE1 TYR 47 21.146 28.829 -24.995 335 HE2 TYR 47 HE2 TYR 47 25.247 27.808 -24.410 336 HH TYR 47 HH TYR 47 24.190 28.073 -26.485 337 H GLY 48 H GLY 48 19.450 26.555 -19.495 338 1HA GLY 48 1HA GLY 48 17.256 26.353 -20.194 339 2HA GLY 48 2HA GLY 48 17.831 27.342 -21.528 340 H GLY 49 H GLY 49 16.783 26.492 -23.241 341 1HA GLY 49 1HA GLY 49 16.601 25.013 -25.024 342 2HA GLY 49 2HA GLY 49 17.613 23.877 -24.144 343 H ASN 50 H ASN 50 16.582 22.029 -23.832 344 HA ASN 50 HA ASN 50 13.700 22.119 -23.230 345 1HB ASN 50 1HB ASN 50 14.732 20.879 -25.341 346 2HB ASN 50 2HB ASN 50 15.001 19.601 -24.160 347 2HD2 ASN 50 1HD2 ASN 50 12.832 20.948 -26.300 348 1HD2 ASN 50 2HD2 ASN 50 11.397 20.151 -25.761 349 H SER 51 H SER 51 16.754 21.424 -21.980 350 HA SER 51 HA SER 51 15.577 19.794 -19.824 351 1HB SER 51 1HB SER 51 18.526 19.829 -20.176 352 2HB SER 51 2HB SER 51 17.460 18.502 -19.719 353 HG SER 51 HG SER 51 18.535 18.825 -22.029 354 H ASN 52 H ASN 52 16.231 22.846 -20.413 355 HA ASN 52 HA ASN 52 16.826 24.684 -19.208 356 1HB ASN 52 1HB ASN 52 15.007 23.934 -17.781 357 2HB ASN 52 2HB ASN 52 16.087 22.831 -16.933 358 2HD2 ASN 52 1HD2 ASN 52 16.805 26.116 -17.951 359 1HD2 ASN 52 2HD2 ASN 52 16.989 26.766 -16.361 360 H GLY 53 H GLY 53 18.878 22.534 -19.759 361 1HA GLY 53 1HA GLY 53 21.197 22.641 -19.498 362 2HA GLY 53 2HA GLY 53 20.970 23.729 -18.136 363 H GLU 54 H GLU 54 20.200 20.354 -18.996 364 HA GLU 54 HA GLU 54 20.984 19.586 -16.265 365 1HB GLU 54 1HB GLU 54 18.949 18.522 -18.176 366 2HB GLU 54 2HB GLU 54 19.674 17.421 -17.013 367 1HG GLU 54 2HG GLU 54 17.775 18.132 -15.927 368 2HG GLU 54 1HG GLU 54 17.906 19.776 -16.543 369 HA PRO 55 HA PRO 55 24.383 17.075 -17.447 370 1HB PRO 55 1HB PRO 55 23.568 14.532 -16.620 371 2HB PRO 55 2HB PRO 55 24.396 15.730 -15.621 372 1HG PRO 55 2HG PRO 55 22.458 15.539 -14.380 373 2HG PRO 55 1HG PRO 55 21.488 15.087 -15.794 374 1HD PRO 55 1HD PRO 55 20.812 17.294 -15.547 375 2HD PRO 55 2HD PRO 55 22.388 17.803 -14.903 376 H CYS 56 H CYS 56 24.950 16.372 -19.396 377 HA CYS 56 HA CYS 56 22.989 15.466 -21.273 378 1HB CYS 56 2HB CYS 56 24.741 15.516 -22.889 379 2HB CYS 56 1HB CYS 56 25.982 15.438 -21.643 380 H VAL 57 H VAL 57 23.841 13.533 -22.764 381 HA VAL 57 HA VAL 57 24.731 11.300 -21.097 382 HB VAL 57 HB VAL 57 22.263 11.280 -21.008 383 1HG1 VAL 57 1HG1 VAL 57 22.240 12.226 -23.485 384 2HG1 VAL 57 2HG1 VAL 57 22.094 10.512 -23.871 385 3HG1 VAL 57 3HG1 VAL 57 20.899 11.287 -22.831 386 1HG2 VAL 57 1HG2 VAL 57 23.980 9.145 -21.861 387 2HG2 VAL 57 2HG2 VAL 57 22.592 9.094 -20.775 388 3HG2 VAL 57 3HG2 VAL 57 22.358 8.913 -22.514 389 H LEU 58 H LEU 58 26.504 12.169 -22.716 390 HA LEU 58 HA LEU 58 26.247 10.727 -25.267 391 1HB LEU 58 1HB LEU 58 28.502 12.145 -25.608 392 2HB LEU 58 2HB LEU 58 26.908 12.747 -26.018 393 HG LEU 58 HG LEU 58 28.305 14.390 -24.799 394 1HD1 LEU 58 1HD1 LEU 58 25.627 13.779 -24.452 395 2HD1 LEU 58 2HD1 LEU 58 26.237 14.011 -22.814 396 3HD1 LEU 58 3HD1 LEU 58 26.431 15.287 -24.016 397 1HD2 LEU 58 1HD2 LEU 58 28.866 12.185 -23.150 398 2HD2 LEU 58 2HD2 LEU 58 29.433 13.845 -22.968 399 3HD2 LEU 58 3HD2 LEU 58 27.952 13.326 -22.163 400 HA PRO 59 HA PRO 59 28.239 10.764 -26.842 401 1HB PRO 59 1HB PRO 59 28.985 8.572 -28.229 402 2HB PRO 59 2HB PRO 59 30.158 9.700 -27.542 403 1HG PRO 59 2HG PRO 59 30.870 7.718 -26.554 404 2HG PRO 59 1HG PRO 59 29.223 7.062 -26.481 405 1HD PRO 59 1HD PRO 59 29.361 7.757 -24.293 406 2HD PRO 59 2HD PRO 59 30.580 8.994 -24.662 407 H PHE 60 H PHE 60 26.353 10.768 -27.881 408 HA PHE 60 HA PHE 60 24.576 8.437 -27.568 409 1HB PHE 60 1HB PHE 60 22.741 10.138 -28.057 410 2HB PHE 60 2HB PHE 60 23.553 10.293 -26.502 411 HD1 PHE 60 HD1 PHE 60 23.210 11.729 -29.867 412 HD2 PHE 60 HD2 PHE 60 24.874 12.204 -25.979 413 HE1 PHE 60 HE1 PHE 60 23.759 14.069 -30.393 414 HE2 PHE 60 HE2 PHE 60 25.423 14.547 -26.496 415 HZ PHE 60 HZ PHE 60 24.866 15.480 -28.705 416 H THR 61 H THR 61 22.744 8.753 -29.445 417 HA THR 61 HA THR 61 24.210 9.034 -31.983 418 HB THR 61 HB THR 61 22.029 7.082 -32.060 419 HG1 THR 61 HG1 THR 61 24.388 6.336 -30.656 420 1HG2 THR 61 1HG2 THR 61 24.929 7.088 -32.895 421 2HG2 THR 61 2HG2 THR 61 23.816 5.755 -33.205 422 3HG2 THR 61 3HG2 THR 61 23.518 7.338 -33.925 423 H TYR 62 H TYR 62 23.294 10.404 -33.358 424 HA TYR 62 HA TYR 62 20.391 10.752 -33.340 425 1HB TYR 62 1HB TYR 62 21.174 12.512 -31.869 426 2HB TYR 62 2HB TYR 62 22.373 13.019 -33.054 427 HD1 TYR 62 HD1 TYR 62 18.677 12.541 -32.757 428 HD2 TYR 62 HD2 TYR 62 21.866 14.818 -34.414 429 HE1 TYR 62 HE1 TYR 62 17.047 14.111 -33.720 430 HE2 TYR 62 HE2 TYR 62 20.246 16.394 -35.381 431 HH TYR 62 HH TYR 62 17.116 15.781 -35.817 432 H ASN 63 H ASN 63 19.551 10.938 -35.319 433 HA ASN 63 HA ASN 63 19.367 11.157 -37.574 434 1HB ASN 63 1HB ASN 63 21.953 12.687 -37.247 435 2HB ASN 63 2HB ASN 63 21.080 12.552 -38.770 436 2HD2 ASN 63 1HD2 ASN 63 21.597 14.991 -37.694 437 1HD2 ASN 63 2HD2 ASN 63 20.132 15.710 -37.131 438 H GLY 64 H GLY 64 21.377 9.195 -36.061 439 1HA GLY 64 1HA GLY 64 21.919 7.075 -37.061 440 2HA GLY 64 2HA GLY 64 22.232 7.915 -38.571 441 H ARG 65 H ARG 65 23.621 9.937 -36.538 442 HA ARG 65 HA ARG 65 26.210 8.562 -36.717 443 1HB ARG 65 1HB ARG 65 27.238 10.766 -36.625 444 2HB ARG 65 2HB ARG 65 26.052 10.698 -37.920 445 1HG ARG 65 1HG ARG 65 24.743 11.613 -35.580 446 2HG ARG 65 2HG ARG 65 26.230 12.537 -35.780 447 1HD ARG 65 1HD ARG 65 24.097 12.134 -37.872 448 2HD ARG 65 2HD ARG 65 24.358 13.603 -36.931 449 HE ARG 65 HE ARG 65 26.757 13.080 -38.143 450 1HH1 ARG 65 1HH1 ARG 65 23.490 13.652 -39.205 451 2HH1 ARG 65 2HH1 ARG 65 23.966 14.360 -40.712 452 1HH2 ARG 65 1HH2 ARG 65 27.395 14.010 -40.126 453 2HH2 ARG 65 2HH2 ARG 65 26.187 14.563 -41.237 454 H THR 66 H THR 66 27.688 10.026 -34.930 455 HA THR 66 HA THR 66 26.330 9.758 -32.348 456 HB THR 66 HB THR 66 28.931 8.388 -33.052 457 HG1 THR 66 HG1 THR 66 26.584 7.210 -31.980 458 1HG2 THR 66 1HG2 THR 66 27.751 9.186 -30.466 459 2HG2 THR 66 2HG2 THR 66 28.358 7.532 -30.563 460 3HG2 THR 66 3HG2 THR 66 29.435 8.887 -30.902 461 H PHE 67 H PHE 67 27.196 10.996 -30.680 462 HA PHE 67 HA PHE 67 29.512 12.675 -31.270 463 1HB PHE 67 1HB PHE 67 27.211 14.092 -30.049 464 2HB PHE 67 2HB PHE 67 28.454 14.694 -31.137 465 HD1 PHE 67 HD1 PHE 67 25.715 12.144 -31.309 466 HD2 PHE 67 HD2 PHE 67 27.657 15.472 -33.120 467 HE1 PHE 67 HE1 PHE 67 24.111 12.066 -33.172 468 HE2 PHE 67 HE2 PHE 67 26.054 15.398 -34.983 469 HZ PHE 67 HZ PHE 67 24.279 13.693 -35.012 470 H TYR 68 H TYR 68 30.815 12.838 -29.553 471 HA TYR 68 HA TYR 68 29.902 11.785 -27.003 472 1HB TYR 68 1HB TYR 68 32.654 12.717 -27.854 473 2HB TYR 68 2HB TYR 68 32.266 11.865 -26.362 474 HD1 TYR 68 HD1 TYR 68 31.951 11.460 -30.065 475 HD2 TYR 68 HD2 TYR 68 32.532 9.567 -26.300 476 HE1 TYR 68 HE1 TYR 68 32.304 9.313 -31.206 477 HE2 TYR 68 HE2 TYR 68 32.894 7.416 -27.431 478 HH TYR 68 HH TYR 68 32.906 6.331 -29.371 479 H SER 69 H SER 69 29.363 14.578 -28.304 480 HA SER 69 HA SER 69 29.269 16.002 -25.827 481 1HB SER 69 1HB SER 69 31.318 16.745 -27.898 482 2HB SER 69 2HB SER 69 30.627 17.971 -26.837 483 HG SER 69 HG SER 69 31.500 15.670 -25.583 484 H CYS 70 H CYS 70 28.862 18.546 -26.609 485 HA CYS 70 HA CYS 70 26.281 18.548 -27.638 486 1HB CYS 70 2HB CYS 70 26.378 20.886 -27.550 487 2HB CYS 70 1HB CYS 70 28.096 20.926 -27.923 488 H THR 71 H THR 71 25.528 19.670 -29.632 489 HA THR 71 HA THR 71 27.245 19.901 -31.889 490 HB THR 71 HB THR 71 27.113 17.413 -31.704 491 HG1 THR 71 HG1 THR 71 27.258 18.669 -33.766 492 1HG2 THR 71 1HG2 THR 71 24.211 18.042 -31.841 493 2HG2 THR 71 2HG2 THR 71 24.780 16.600 -32.684 494 3HG2 THR 71 3HG2 THR 71 25.052 16.773 -30.949 495 H THR 72 H THR 72 26.069 20.431 -33.868 496 HA THR 72 HA THR 72 23.333 21.390 -33.336 497 HB THR 72 HB THR 72 24.161 23.120 -35.246 498 HG1 THR 72 HG1 THR 72 26.273 23.725 -34.833 499 1HG2 THR 72 1HG2 THR 72 24.066 23.222 -32.277 500 2HG2 THR 72 2HG2 THR 72 24.803 24.584 -33.121 501 3HG2 THR 72 3HG2 THR 72 23.135 24.129 -33.469 502 H GLU 73 H GLU 73 23.168 19.060 -34.324 503 HA GLU 73 HA GLU 73 23.069 19.292 -37.261 504 1HB GLU 73 1HB GLU 73 23.656 16.998 -35.435 505 2HB GLU 73 2HB GLU 73 22.950 16.680 -37.014 506 1HG GLU 73 1HG GLU 73 25.461 18.285 -36.635 507 2HG GLU 73 2HG GLU 73 25.455 16.537 -36.868 508 H GLY 74 H GLY 74 21.079 19.769 -34.861 509 1HA GLY 74 1HA GLY 74 18.840 18.371 -36.185 510 2HA GLY 74 2HA GLY 74 18.948 18.485 -34.437 511 H ARG 75 H ARG 75 20.065 21.289 -35.971 512 HA ARG 75 HA ARG 75 17.431 22.550 -35.990 513 1HB ARG 75 1HB ARG 75 18.516 24.508 -34.694 514 2HB ARG 75 2HB ARG 75 17.976 23.096 -33.797 515 1HG ARG 75 1HG ARG 75 20.389 22.265 -34.030 516 2HG ARG 75 2HG ARG 75 20.768 23.930 -34.475 517 1HD ARG 75 2HD ARG 75 21.039 24.203 -32.260 518 2HD ARG 75 1HD ARG 75 20.079 22.780 -31.864 519 HE ARG 75 HE ARG 75 19.128 25.508 -32.143 520 1HH1 ARG 75 1HH1 ARG 75 18.328 22.132 -31.838 521 2HH1 ARG 75 2HH1 ARG 75 16.713 22.432 -31.290 522 1HH2 ARG 75 1HH2 ARG 75 17.003 25.914 -31.427 523 2HH2 ARG 75 2HH2 ARG 75 15.958 24.582 -31.057 524 H GLN 76 H GLN 76 17.474 24.731 -36.945 525 HA GLN 76 HA GLN 76 19.489 24.852 -39.072 526 1HB GLN 76 1HB GLN 76 17.923 26.126 -40.340 527 2HB GLN 76 2HB GLN 76 17.040 24.773 -39.646 528 1HG GLN 76 1HG GLN 76 16.092 26.190 -37.956 529 2HG GLN 76 2HG GLN 76 17.079 27.549 -38.488 530 2HE2 GLN 76 1HE2 GLN 76 14.067 26.393 -38.544 531 1HE2 GLN 76 2HE2 GLN 76 13.492 27.075 -40.023 532 H ASP 77 H ASP 77 19.209 26.069 -36.104 533 HA ASP 77 HA ASP 77 19.843 28.838 -36.724 534 1HB ASP 77 1HB ASP 77 20.125 28.854 -34.113 535 2HB ASP 77 2HB ASP 77 18.518 28.803 -34.831 536 H GLY 78 H GLY 78 21.366 26.304 -34.741 537 1HA GLY 78 1HA GLY 78 23.709 25.730 -35.422 538 2HA GLY 78 2HA GLY 78 23.979 27.464 -35.486 539 H HIS 79 H HIS 79 21.961 26.209 -32.972 540 HA HIS 79 HA HIS 79 23.981 26.982 -31.012 541 1HB HIS 79 1HB HIS 79 21.126 26.162 -30.473 542 2HB HIS 79 2HB HIS 79 22.208 27.053 -29.409 543 HD1 HIS 79 HD1 HIS 79 19.443 27.601 -31.549 544 HD2 HIS 79 HD2 HIS 79 22.966 29.668 -30.783 545 HE1 HIS 79 HE1 HIS 79 19.025 29.955 -32.327 546 HE2 HIS 79 HE2 HIS 79 21.200 31.164 -31.937 547 H LEU 80 H LEU 80 25.266 25.492 -30.159 548 HA LEU 80 HA LEU 80 25.132 22.768 -30.618 549 1HB LEU 80 1HB LEU 80 26.449 24.385 -28.450 550 2HB LEU 80 2HB LEU 80 26.592 22.640 -28.500 551 HG LEU 80 HG LEU 80 27.714 22.732 -30.636 552 1HD1 LEU 80 1HD1 LEU 80 26.494 24.621 -31.592 553 2HD1 LEU 80 2HD1 LEU 80 27.329 25.718 -30.492 554 3HD1 LEU 80 3HD1 LEU 80 28.239 24.846 -31.725 555 1HD2 LEU 80 1HD2 LEU 80 28.766 24.570 -28.508 556 2HD2 LEU 80 2HD2 LEU 80 29.228 22.903 -28.854 557 3HD2 LEU 80 3HD2 LEU 80 29.693 24.195 -29.962 558 H TRP 81 H TRP 81 24.218 21.044 -29.602 559 HA TRP 81 HA TRP 81 22.774 21.482 -27.100 560 1HB TRP 81 1HB TRP 81 20.737 20.437 -27.964 561 2HB TRP 81 2HB TRP 81 21.132 21.881 -28.890 562 HD1 TRP 81 HD1 TRP 81 21.656 21.586 -31.447 563 HE1 TRP 81 HE1 TRP 81 21.478 19.595 -33.066 564 HE3 TRP 81 HE3 TRP 81 21.022 17.820 -28.046 565 HZ2 TRP 81 HZ2 TRP 81 21.115 16.800 -32.925 566 HZ3 TRP 81 HZ3 TRP 81 20.767 15.516 -28.872 567 HH2 TRP 81 HH2 TRP 81 20.812 15.019 -31.262 568 H CYS 82 H CYS 82 22.624 19.701 -25.801 569 HA CYS 82 HA CYS 82 23.899 17.243 -26.808 570 1HB CYS 82 1HB CYS 82 24.966 16.912 -24.740 571 2HB CYS 82 2HB CYS 82 25.152 18.635 -25.045 572 H SER 83 H SER 83 23.192 15.241 -25.760 573 HA SER 83 HA SER 83 20.311 15.294 -25.333 574 1HB SER 83 1HB SER 83 21.034 13.650 -26.911 575 2HB SER 83 2HB SER 83 22.271 13.044 -25.811 576 HG SER 83 HG SER 83 19.812 12.955 -24.681 577 H THR 84 H THR 84 19.281 14.403 -23.530 578 HA THR 84 HA THR 84 20.965 14.274 -21.124 579 HB THR 84 HB THR 84 19.032 14.855 -19.824 580 HG1 THR 84 HG1 THR 84 17.453 13.701 -21.013 581 1HG2 THR 84 1HG2 THR 84 20.206 16.707 -20.969 582 2HG2 THR 84 2HG2 THR 84 19.059 16.582 -22.302 583 3HG2 THR 84 3HG2 THR 84 18.498 17.055 -20.699 584 H THR 85 H THR 85 18.653 12.524 -23.051 585 HA THR 85 HA THR 85 18.800 10.263 -21.165 586 HB THR 85 HB THR 85 16.677 10.780 -23.256 587 HG1 THR 85 HG1 THR 85 16.428 10.958 -20.427 588 1HG2 THR 85 1HG2 THR 85 17.356 8.376 -22.282 589 2HG2 THR 85 2HG2 THR 85 16.258 8.903 -21.008 590 3HG2 THR 85 3HG2 THR 85 15.695 8.817 -22.677 591 H SER 86 H SER 86 19.828 8.485 -21.821 592 HA SER 86 HA SER 86 21.424 8.241 -23.992 593 1HB SER 86 1HB SER 86 20.156 6.341 -22.149 594 2HB SER 86 2HB SER 86 20.582 5.636 -23.709 595 HG SER 86 HG SER 86 22.666 5.994 -23.325 596 H ASN 87 H ASN 87 17.974 7.628 -23.867 597 HA ASN 87 HA ASN 87 17.981 7.009 -26.741 598 1HB ASN 87 1HB ASN 87 16.698 5.744 -24.598 599 2HB ASN 87 2HB ASN 87 15.424 6.633 -25.427 600 2HD2 ASN 87 1HD2 ASN 87 14.771 4.302 -25.713 601 1HD2 ASN 87 2HD2 ASN 87 15.323 3.514 -27.149 602 H TYR 88 H TYR 88 18.196 9.251 -27.306 603 HA TYR 88 HA TYR 88 16.204 11.148 -26.492 604 1HB TYR 88 1HB TYR 88 18.266 12.134 -26.999 605 2HB TYR 88 2HB TYR 88 18.470 11.180 -28.464 606 HD1 TYR 88 HD1 TYR 88 16.738 11.644 -30.367 607 HD2 TYR 88 HD2 TYR 88 17.542 14.330 -27.167 608 HE1 TYR 88 HE1 TYR 88 15.835 13.499 -31.705 609 HE2 TYR 88 HE2 TYR 88 16.639 16.191 -28.496 610 HH TYR 88 HH TYR 88 15.630 16.788 -30.386 611 H GLU 89 H GLU 89 16.571 8.857 -29.054 612 HA GLU 89 HA GLU 89 14.741 10.016 -30.885 613 1HB GLU 89 1HB GLU 89 15.430 7.089 -30.620 614 2HB GLU 89 2HB GLU 89 14.821 7.913 -32.049 615 1HG GLU 89 1HG GLU 89 17.078 9.330 -31.543 616 2HG GLU 89 2HG GLU 89 17.545 7.722 -30.994 617 H GLN 90 H GLN 90 14.322 8.511 -27.899 618 HA GLN 90 HA GLN 90 11.523 7.841 -28.507 619 1HB GLN 90 1HB GLN 90 12.382 5.882 -27.646 620 2HB GLN 90 2HB GLN 90 13.521 6.717 -26.600 621 1HG GLN 90 2HG GLN 90 11.601 7.406 -25.175 622 2HG GLN 90 1HG GLN 90 11.898 5.669 -25.222 623 2HE2 GLN 90 1HE2 GLN 90 10.525 4.369 -26.576 624 1HE2 GLN 90 2HE2 GLN 90 8.900 4.871 -26.883 625 H ASP 91 H ASP 91 13.608 9.340 -26.064 626 HA ASP 91 HA ASP 91 11.329 10.538 -24.730 627 1HB ASP 91 1HB ASP 91 14.095 9.996 -24.072 628 2HB ASP 91 2HB ASP 91 13.678 11.663 -23.693 629 H GLN 92 H GLN 92 13.970 11.501 -26.833 630 HA GLN 92 HA GLN 92 14.335 13.376 -28.068 631 1HB GLN 92 2HB GLN 92 12.513 14.459 -28.972 632 2HB GLN 92 1HB GLN 92 11.624 14.460 -27.455 633 1HG GLN 92 1HG GLN 92 12.098 11.794 -28.548 634 2HG GLN 92 2HG GLN 92 10.626 12.513 -27.897 635 2HE2 GLN 92 1HE2 GLN 92 12.587 12.059 -30.735 636 1HE2 GLN 92 2HE2 GLN 92 11.386 12.526 -31.886 637 H LYS 93 H LYS 93 15.117 13.408 -25.375 638 HA LYS 93 HA LYS 93 14.544 16.158 -24.514 639 1HB LYS 93 1HB LYS 93 15.484 13.700 -23.075 640 2HB LYS 93 2HB LYS 93 15.821 15.290 -22.404 641 1HG LYS 93 1HG LYS 93 13.729 14.070 -21.599 642 2HG LYS 93 2HG LYS 93 13.564 15.763 -22.069 643 1HD LYS 93 1HD LYS 93 12.375 15.263 -23.965 644 2HD LYS 93 2HD LYS 93 13.117 13.670 -24.138 645 1HE LYS 93 2HE LYS 93 11.763 13.470 -21.753 646 2HE LYS 93 1HE LYS 93 11.210 12.857 -23.310 647 1HZ LYS 93 1HZ LYS 93 10.604 15.608 -23.073 648 2HZ LYS 93 2HZ LYS 93 9.552 14.303 -23.301 649 3HZ LYS 93 3HZ LYS 93 9.991 14.774 -21.735 650 H TYR 94 H TYR 94 16.010 17.680 -24.902 651 HA TYR 94 HA TYR 94 18.847 16.954 -24.959 652 1HB TYR 94 2HB TYR 94 17.833 16.984 -27.301 653 2HB TYR 94 1HB TYR 94 19.266 17.974 -27.047 654 HD1 TYR 94 HD1 TYR 94 18.797 20.480 -26.403 655 HD2 TYR 94 HD2 TYR 94 15.989 17.935 -28.336 656 HE1 TYR 94 HE1 TYR 94 17.588 22.456 -27.235 657 HE2 TYR 94 HE2 TYR 94 14.774 19.901 -29.173 658 HH TYR 94 HH TYR 94 14.632 22.116 -29.177 659 H SER 95 H SER 95 20.267 18.883 -24.978 660 HA SER 95 HA SER 95 19.030 21.220 -23.688 661 1HB SER 95 1HB SER 95 21.624 21.010 -22.635 662 2HB SER 95 2HB SER 95 20.109 20.718 -21.781 663 HG SER 95 HG SER 95 21.116 18.830 -21.566 664 H PHE 96 H PHE 96 20.964 22.982 -23.527 665 HA PHE 96 HA PHE 96 21.939 23.218 -26.288 666 1HB PHE 96 1HB PHE 96 21.198 25.236 -24.193 667 2HB PHE 96 2HB PHE 96 22.253 25.687 -25.529 668 HD1 PHE 96 HD1 PHE 96 21.065 24.128 -27.731 669 HD2 PHE 96 HD2 PHE 96 19.221 26.380 -24.627 670 HE1 PHE 96 HE1 PHE 96 19.100 24.485 -29.166 671 HE2 PHE 96 HE2 PHE 96 17.249 26.740 -26.055 672 HZ PHE 96 HZ PHE 96 17.186 25.789 -28.326 673 H CYS 97 H CYS 97 23.921 25.001 -26.130 674 HA CYS 97 HA CYS 97 25.806 24.408 -24.055 675 1HB CYS 97 1HB CYS 97 26.097 23.145 -26.769 676 2HB CYS 97 2HB CYS 97 27.507 23.504 -25.778 677 H THR 98 H THR 98 27.091 26.116 -23.799 678 HA THR 98 HA THR 98 26.981 28.264 -25.729 679 HB THR 98 HB THR 98 26.861 29.104 -23.566 680 HG1 THR 98 HG1 THR 98 28.630 30.390 -23.464 681 1HG2 THR 98 1HG2 THR 98 28.706 26.884 -22.930 682 2HG2 THR 98 2HG2 THR 98 28.899 28.351 -21.970 683 3HG2 THR 98 3HG2 THR 98 27.342 27.525 -22.013 684 H ASP 99 H ASP 99 28.618 25.599 -25.965 685 HA ASP 99 HA ASP 99 30.494 24.975 -27.099 686 1HB ASP 99 1HB ASP 99 31.455 27.717 -27.638 687 2HB ASP 99 2HB ASP 99 31.240 26.360 -28.740 688 H HIS 100 H HIS 100 31.327 28.062 -25.509 689 HA HIS 100 HA HIS 100 33.162 26.649 -23.747 690 1HB HIS 100 1HB HIS 100 34.322 27.473 -25.939 691 2HB HIS 100 2HB HIS 100 34.214 29.061 -25.184 692 HD1 HIS 100 HD1 HIS 100 35.231 28.982 -22.561 693 HD2 HIS 100 HD2 HIS 100 36.640 26.232 -25.338 694 HE1 HIS 100 HE1 HIS 100 37.428 28.171 -21.647 695 HE2 HIS 100 HE2 HIS 100 38.228 26.453 -23.308 696 H THR 101 H THR 101 32.581 30.021 -24.706 697 HA THR 101 HA THR 101 31.964 30.621 -21.888 698 HB THR 101 HB THR 101 32.776 32.882 -22.252 699 HG1 THR 101 HG1 THR 101 32.360 32.385 -24.775 700 1HG2 THR 101 1HG2 THR 101 34.711 30.761 -23.188 701 2HG2 THR 101 2HG2 THR 101 35.174 32.389 -22.692 702 3HG2 THR 101 3HG2 THR 101 34.435 31.291 -21.528 No H/Q in entry = 702 Start of MODEL 17 1 H1 TYR 1 H1 TYR 1 37.328 0.240 -46.837 2 H2 TYR 1 H2 TYR 1 35.677 -0.126 -46.919 3 H3 TYR 1 H3 TYR 1 36.191 1.484 -46.986 4 HA TYR 1 HA TYR 1 35.730 1.539 -44.823 5 1HB TYR 1 1HB TYR 1 35.036 -1.066 -45.388 6 2HB TYR 1 2HB TYR 1 36.233 -1.263 -44.112 7 HD1 TYR 1 HD1 TYR 1 33.585 1.314 -44.674 8 HD2 TYR 1 HD2 TYR 1 35.126 -1.735 -42.138 9 HE1 TYR 1 HE1 TYR 1 31.872 1.852 -42.995 10 HE2 TYR 1 HE2 TYR 1 33.417 -1.204 -40.451 11 HH TYR 1 HH TYR 1 30.710 0.518 -41.056 12 H GLY 2 H GLY 2 38.025 2.469 -45.342 13 1HA GLY 2 1HA GLY 2 40.374 1.199 -44.604 14 2HA GLY 2 2HA GLY 2 40.101 2.929 -44.479 15 H HIS 3 H HIS 3 41.393 0.716 -42.749 16 HA HIS 3 HA HIS 3 39.887 1.008 -40.280 17 1HB HIS 3 1HB HIS 3 42.208 -0.649 -41.172 18 2HB HIS 3 2HB HIS 3 41.995 -0.354 -39.451 19 HD1 HIS 3 HD1 HIS 3 40.334 -2.032 -42.376 20 HD2 HIS 3 HD2 HIS 3 39.947 -1.777 -38.246 21 HE1 HIS 3 HE1 HIS 3 38.667 -3.807 -41.746 22 HE2 HIS 3 HE2 HIS 3 38.496 -3.676 -39.236 23 H CYS 4 H CYS 4 40.604 2.089 -38.460 24 HA CYS 4 HA CYS 4 42.841 3.953 -38.921 25 1HB CYS 4 1HB CYS 4 41.509 5.029 -36.799 26 2HB CYS 4 2HB CYS 4 41.225 5.467 -38.480 27 H VAL 5 H VAL 5 44.487 4.096 -37.466 28 HA VAL 5 HA VAL 5 44.331 2.365 -35.087 29 HB VAL 5 HB VAL 5 46.705 2.685 -36.928 30 1HG1 VAL 5 1HG1 VAL 5 46.733 2.256 -34.185 31 2HG1 VAL 5 2HG1 VAL 5 46.930 0.648 -34.884 32 3HG1 VAL 5 3HG1 VAL 5 48.049 1.941 -35.317 33 1HG2 VAL 5 1HG2 VAL 5 44.920 0.334 -36.311 34 2HG2 VAL 5 2HG2 VAL 5 45.087 1.170 -37.855 35 3HG2 VAL 5 3HG2 VAL 5 46.432 0.228 -37.212 36 H THR 6 H THR 6 44.455 3.579 -33.328 37 HA THR 6 HA THR 6 44.958 6.199 -33.027 38 HB THR 6 HB THR 6 46.086 5.468 -30.734 39 HG1 THR 6 HG1 THR 6 45.690 3.366 -30.217 40 1HG2 THR 6 1HG2 THR 6 43.335 5.632 -31.696 41 2HG2 THR 6 2HG2 THR 6 43.506 4.627 -30.256 42 3HG2 THR 6 3HG2 THR 6 44.063 6.301 -30.236 43 H ASP 7 H ASP 7 47.537 3.858 -32.266 44 HA ASP 7 HA ASP 7 49.538 4.778 -33.886 45 1HB ASP 7 1HB ASP 7 49.345 6.992 -32.976 46 2HB ASP 7 2HB ASP 7 49.387 6.378 -31.326 47 H SER 8 H SER 8 48.594 3.554 -30.776 48 HA SER 8 HA SER 8 51.171 2.386 -30.199 49 1HB SER 8 1HB SER 8 48.516 2.498 -28.839 50 2HB SER 8 2HB SER 8 49.633 1.212 -28.386 51 HG SER 8 HG SER 8 49.651 3.694 -27.547 52 H GLY 9 H GLY 9 48.115 1.400 -31.583 53 1HA GLY 9 1HA GLY 9 48.886 -0.625 -33.150 54 2HA GLY 9 2HA GLY 9 48.858 -1.408 -31.577 55 H VAL 10 H VAL 10 46.576 0.462 -30.830 56 HA VAL 10 HA VAL 10 44.447 -1.181 -30.981 57 HB VAL 10 HB VAL 10 44.244 1.805 -31.394 58 1HG1 VAL 10 1HG1 VAL 10 42.276 -0.244 -30.390 59 2HG1 VAL 10 2HG1 VAL 10 42.056 1.499 -30.226 60 3HG1 VAL 10 3HG1 VAL 10 42.137 0.767 -31.828 61 1HG2 VAL 10 1HG2 VAL 10 44.405 0.186 -28.853 62 2HG2 VAL 10 2HG2 VAL 10 45.610 1.324 -29.457 63 3HG2 VAL 10 3HG2 VAL 10 44.030 1.908 -28.936 64 H VAL 11 H VAL 11 42.626 -1.451 -32.351 65 HA VAL 11 HA VAL 11 43.133 -0.729 -35.164 66 HB VAL 11 HB VAL 11 41.906 -3.262 -34.073 67 1HG1 VAL 11 1HG1 VAL 11 42.148 -2.304 -36.922 68 2HG1 VAL 11 2HG1 VAL 11 41.698 -3.942 -36.444 69 3HG1 VAL 11 3HG1 VAL 11 40.658 -2.582 -36.021 70 1HG2 VAL 11 1HG2 VAL 11 44.480 -2.617 -35.476 71 2HG2 VAL 11 2HG2 VAL 11 44.232 -3.487 -33.961 72 3HG2 VAL 11 3HG2 VAL 11 43.800 -4.245 -35.494 73 H TYR 12 H TYR 12 41.759 0.806 -35.727 74 HA TYR 12 HA TYR 12 38.969 0.631 -34.796 75 1HB TYR 12 1HB TYR 12 40.577 3.039 -35.673 76 2HB TYR 12 2HB TYR 12 38.855 3.077 -35.315 77 HD1 TYR 12 HD1 TYR 12 38.090 2.576 -32.975 78 HD2 TYR 12 HD2 TYR 12 42.185 3.168 -33.958 79 HE1 TYR 12 HE1 TYR 12 38.592 2.989 -30.603 80 HE2 TYR 12 HE2 TYR 12 42.702 3.580 -31.587 81 HH TYR 12 HH TYR 12 41.913 3.593 -29.505 82 H SER 13 H SER 13 37.698 2.233 -36.548 83 HA SER 13 HA SER 13 38.375 1.342 -39.241 84 1HB SER 13 1HB SER 13 35.839 0.662 -37.782 85 2HB SER 13 2HB SER 13 35.865 0.786 -39.540 86 HG SER 13 HG SER 13 36.668 -1.241 -38.004 87 H VAL 14 H VAL 14 38.032 2.848 -40.731 88 HA VAL 14 HA VAL 14 37.751 5.455 -40.388 89 HB VAL 14 HB VAL 14 38.071 4.615 -42.599 90 1HG1 VAL 14 1HG1 VAL 14 35.698 3.073 -41.993 91 2HG1 VAL 14 2HG1 VAL 14 35.590 3.849 -43.572 92 3HG1 VAL 14 3HG1 VAL 14 36.950 2.789 -43.202 93 1HG2 VAL 14 1HG2 VAL 14 35.536 6.220 -42.339 94 2HG2 VAL 14 2HG2 VAL 14 37.174 6.818 -42.598 95 3HG2 VAL 14 3HG2 VAL 14 36.349 5.928 -43.877 96 H GLY 15 H GLY 15 36.432 5.962 -38.606 97 1HA GLY 15 1HA GLY 15 34.399 7.244 -38.267 98 2HA GLY 15 2HA GLY 15 33.563 6.080 -39.281 99 H MET 16 H MET 16 35.843 5.219 -36.747 100 HA MET 16 HA MET 16 33.591 4.079 -35.225 101 1HB MET 16 1HB MET 16 35.633 2.679 -36.381 102 2HB MET 16 2HB MET 16 36.255 2.924 -34.755 103 1HG MET 16 1HG MET 16 33.477 2.059 -34.800 104 2HG MET 16 2HG MET 16 34.579 0.912 -35.556 105 1HE MET 16 1HE MET 16 37.109 1.144 -34.347 106 2HE MET 16 2HE MET 16 37.254 0.563 -32.689 107 3HE MET 16 3HE MET 16 36.586 -0.489 -33.936 108 H GLN 17 H GLN 17 33.959 6.557 -34.560 109 HA GLN 17 HA GLN 17 35.850 7.608 -33.020 110 1HB GLN 17 2HB GLN 17 34.150 8.735 -31.691 111 2HB GLN 17 1HB GLN 17 32.954 7.532 -32.156 112 1HG GLN 17 1HG GLN 17 34.313 9.488 -33.994 113 2HG GLN 17 2HG GLN 17 33.156 8.256 -34.492 114 2HE2 GLN 17 1HE2 GLN 17 33.599 11.359 -33.121 115 1HE2 GLN 17 2HE2 GLN 17 31.931 11.763 -32.929 116 H TRP 18 H TRP 18 36.510 7.607 -30.842 117 HA TRP 18 HA TRP 18 35.555 5.521 -29.076 118 1HB TRP 18 2HB TRP 18 37.256 4.364 -30.447 119 2HB TRP 18 1HB TRP 18 37.728 4.472 -28.755 120 HD1 TRP 18 HD1 TRP 18 39.907 5.819 -28.172 121 HE1 TRP 18 HE1 TRP 18 41.767 6.866 -29.602 122 HE3 TRP 18 HE3 TRP 18 37.644 5.584 -32.750 123 HZ2 TRP 18 HZ2 TRP 18 42.218 7.514 -32.318 124 HZ3 TRP 18 HZ3 TRP 18 38.856 6.438 -34.711 125 HH2 TRP 18 HH2 TRP 18 41.096 7.382 -34.497 126 H LEU 19 H LEU 19 37.539 5.553 -27.185 127 HA LEU 19 HA LEU 19 37.756 8.394 -26.439 128 1HB LEU 19 1HB LEU 19 36.808 6.061 -24.807 129 2HB LEU 19 2HB LEU 19 37.512 7.467 -24.032 130 HG LEU 19 HG LEU 19 35.205 7.837 -23.932 131 1HD1 LEU 19 1HD1 LEU 19 36.621 9.710 -24.911 132 2HD1 LEU 19 2HD1 LEU 19 35.907 9.283 -26.466 133 3HD1 LEU 19 3HD1 LEU 19 34.876 9.819 -25.140 134 1HD2 LEU 19 1HD2 LEU 19 35.045 7.023 -26.831 135 2HD2 LEU 19 2HD2 LEU 19 34.514 6.065 -25.450 136 3HD2 LEU 19 3HD2 LEU 19 33.695 7.576 -25.841 137 H LYS 20 H LYS 20 39.876 8.792 -26.667 138 HA LYS 20 HA LYS 20 41.807 6.800 -25.729 139 1HB LYS 20 1HB LYS 20 43.433 7.898 -27.021 140 2HB LYS 20 2HB LYS 20 41.978 7.943 -28.006 141 1HG LYS 20 1HG LYS 20 41.601 10.232 -27.490 142 2HG LYS 20 2HG LYS 20 42.861 10.219 -26.253 143 1HD LYS 20 1HD LYS 20 43.728 9.398 -28.940 144 2HD LYS 20 2HD LYS 20 43.222 11.083 -28.795 145 1HE LYS 20 1HE LYS 20 45.309 11.462 -28.081 146 2HE LYS 20 2HE LYS 20 44.770 10.743 -26.565 147 1HZ LYS 20 1HZ LYS 20 45.473 8.551 -27.590 148 2HZ LYS 20 2HZ LYS 20 46.285 9.465 -28.758 149 3HZ LYS 20 3HZ LYS 20 46.713 9.606 -27.128 150 H THR 21 H THR 21 43.950 8.306 -25.037 151 HA THR 21 HA THR 21 43.135 10.252 -23.034 152 HB THR 21 HB THR 21 42.946 8.305 -21.685 153 HG1 THR 21 HG1 THR 21 44.069 9.361 -20.242 154 1HG2 THR 21 1HG2 THR 21 44.985 7.284 -23.414 155 2HG2 THR 21 2HG2 THR 21 45.507 7.114 -21.738 156 3HG2 THR 21 3HG2 THR 21 43.974 6.415 -22.260 157 H GLN 22 H GLN 22 45.309 10.769 -21.689 158 HA GLN 22 HA GLN 22 47.485 11.048 -23.654 159 1HB GLN 22 1HB GLN 22 46.340 13.118 -21.789 160 2HB GLN 22 2HB GLN 22 47.944 13.277 -22.491 161 1HG GLN 22 1HG GLN 22 45.856 12.683 -24.443 162 2HG GLN 22 2HG GLN 22 45.632 14.210 -23.591 163 2HE2 GLN 22 1HE2 GLN 22 48.709 12.695 -24.311 164 1HE2 GLN 22 2HE2 GLN 22 49.267 13.907 -25.407 165 H GLY 23 H GLY 23 46.658 9.573 -20.906 166 1HA GLY 23 1HA GLY 23 48.212 8.315 -19.628 167 2HA GLY 23 2HA GLY 23 49.434 9.531 -19.968 168 H ASN 24 H ASN 24 47.153 11.540 -19.287 169 HA ASN 24 HA ASN 24 47.741 11.548 -16.414 170 1HB ASN 24 1HB ASN 24 47.743 13.574 -18.389 171 2HB ASN 24 2HB ASN 24 46.415 13.938 -17.290 172 2HD2 ASN 24 1HD2 ASN 24 46.934 15.154 -15.637 173 1HD2 ASN 24 2HD2 ASN 24 48.489 15.262 -14.893 174 H LYS 25 H LYS 25 45.084 11.671 -18.722 175 HA LYS 25 HA LYS 25 43.275 10.725 -16.671 176 1HB LYS 25 1HB LYS 25 41.755 12.744 -17.894 177 2HB LYS 25 2HB LYS 25 42.320 12.687 -16.234 178 1HG LYS 25 1HG LYS 25 42.874 14.792 -17.415 179 2HG LYS 25 2HG LYS 25 44.279 13.940 -16.773 180 1HD LYS 25 2HD LYS 25 43.904 12.960 -19.376 181 2HD LYS 25 1HD LYS 25 45.186 14.025 -18.801 182 1HE LYS 25 1HE LYS 25 42.583 15.287 -19.417 183 2HE LYS 25 2HE LYS 25 44.222 15.888 -19.665 184 1HZ LYS 25 1HZ LYS 25 43.913 13.698 -21.336 185 2HZ LYS 25 2HZ LYS 25 42.506 14.622 -21.512 186 3HZ LYS 25 3HZ LYS 25 44.020 15.325 -21.783 187 H GLN 26 H GLN 26 42.173 12.349 -19.586 188 HA GLN 26 HA GLN 26 42.120 9.963 -21.170 189 1HB GLN 26 1HB GLN 26 39.644 10.927 -19.779 190 2HB GLN 26 2HB GLN 26 39.526 10.148 -21.351 191 1HG GLN 26 1HG GLN 26 39.336 8.281 -20.135 192 2HG GLN 26 2HG GLN 26 41.095 8.381 -20.057 193 2HE2 GLN 26 1HE2 GLN 26 40.487 7.018 -18.111 194 1HE2 GLN 26 2HE2 GLN 26 40.262 7.866 -16.622 195 H MET 27 H MET 27 40.424 10.444 -23.093 196 HA MET 27 HA MET 27 40.025 13.114 -23.885 197 1HB MET 27 1HB MET 27 42.666 12.524 -24.054 198 2HB MET 27 2HB MET 27 42.127 12.017 -25.649 199 1HG MET 27 1HG MET 27 40.939 14.511 -25.189 200 2HG MET 27 2HG MET 27 42.609 14.654 -24.643 201 1HE MET 27 1HE MET 27 44.432 14.850 -25.764 202 2HE MET 27 2HE MET 27 44.771 14.654 -27.483 203 3HE MET 27 3HE MET 27 43.969 16.113 -26.904 204 H LEU 28 H LEU 28 38.897 13.260 -25.835 205 HA LEU 28 HA LEU 28 37.843 10.715 -26.786 206 1HB LEU 28 1HB LEU 28 36.170 12.317 -26.282 207 2HB LEU 28 2HB LEU 28 37.009 13.582 -27.160 208 HG LEU 28 HG LEU 28 36.546 11.692 -29.112 209 1HD1 LEU 28 1HD1 LEU 28 34.400 11.592 -27.050 210 2HD1 LEU 28 2HD1 LEU 28 33.959 11.491 -28.755 211 3HD1 LEU 28 3HD1 LEU 28 35.060 10.303 -28.058 212 1HD2 LEU 28 1HD2 LEU 28 36.145 14.312 -28.816 213 2HD2 LEU 28 2HD2 LEU 28 35.408 13.380 -30.120 214 3HD2 LEU 28 3HD2 LEU 28 34.475 13.764 -28.673 215 H CYS 29 H CYS 29 38.278 9.855 -28.744 216 HA CYS 29 HA CYS 29 39.690 11.535 -30.694 217 1HB CYS 29 1HB CYS 29 41.231 10.003 -29.364 218 2HB CYS 29 2HB CYS 29 40.454 8.670 -30.207 219 H THR 30 H THR 30 39.574 10.838 -32.880 220 HA THR 30 HA THR 30 37.680 8.750 -33.567 221 HB THR 30 HB THR 30 37.134 11.643 -34.250 222 HG1 THR 30 HG1 THR 30 35.467 11.437 -32.894 223 1HG2 THR 30 1HG2 THR 30 35.808 9.127 -35.264 224 2HG2 THR 30 2HG2 THR 30 35.186 10.760 -35.503 225 3HG2 THR 30 3HG2 THR 30 36.730 10.290 -36.215 226 H CYS 31 H CYS 31 37.716 8.176 -35.782 227 HA CYS 31 HA CYS 31 40.027 9.257 -37.252 228 1HB CYS 31 1HB CYS 31 40.152 7.009 -38.349 229 2HB CYS 31 2HB CYS 31 40.490 6.984 -36.623 230 H LEU 32 H LEU 32 39.222 10.624 -38.704 231 HA LEU 32 HA LEU 32 36.659 10.213 -39.945 232 1HB LEU 32 1HB LEU 32 37.670 12.244 -41.366 233 2HB LEU 32 2HB LEU 32 36.926 12.449 -39.792 234 HG LEU 32 HG LEU 32 39.848 11.933 -39.827 235 1HD1 LEU 32 1HD1 LEU 32 38.883 13.815 -41.579 236 2HD1 LEU 32 2HD1 LEU 32 39.244 14.757 -40.133 237 3HD1 LEU 32 3HD1 LEU 32 40.503 13.775 -40.881 238 1HD2 LEU 32 1HD2 LEU 32 38.309 12.340 -37.804 239 2HD2 LEU 32 2HD2 LEU 32 39.840 13.215 -37.882 240 3HD2 LEU 32 3HD2 LEU 32 38.336 14.030 -38.310 241 H GLY 33 H GLY 33 39.271 11.358 -41.950 242 1HA GLY 33 1HA GLY 33 39.301 8.828 -43.437 243 2HA GLY 33 2HA GLY 33 38.834 10.294 -44.283 244 H ASN 34 H ASN 34 40.622 12.095 -43.169 245 HA ASN 34 HA ASN 34 42.998 11.431 -44.641 246 1HB ASN 34 1HB ASN 34 43.734 13.716 -43.520 247 2HB ASN 34 2HB ASN 34 42.591 13.686 -44.858 248 2HD2 ASN 34 1HD2 ASN 34 43.133 15.319 -42.248 249 1HD2 ASN 34 2HD2 ASN 34 41.536 15.583 -41.643 250 H GLY 35 H GLY 35 41.981 11.310 -41.340 251 1HA GLY 35 1HA GLY 35 44.212 9.770 -40.551 252 2HA GLY 35 2HA GLY 35 44.430 11.425 -40.006 253 H VAL 36 H VAL 36 44.167 11.222 -37.854 254 HA VAL 36 HA VAL 36 41.500 10.459 -36.923 255 HB VAL 36 HB VAL 36 44.084 9.295 -35.898 256 1HG1 VAL 36 1HG1 VAL 36 42.835 10.151 -33.979 257 2HG1 VAL 36 2HG1 VAL 36 41.405 9.269 -34.514 258 3HG1 VAL 36 3HG1 VAL 36 42.846 8.388 -34.002 259 1HG2 VAL 36 1HG2 VAL 36 41.752 8.317 -37.361 260 2HG2 VAL 36 2HG2 VAL 36 43.386 7.661 -37.254 261 3HG2 VAL 36 3HG2 VAL 36 42.212 7.314 -35.985 262 H SER 37 H SER 37 40.709 12.038 -35.709 263 HA SER 37 HA SER 37 42.591 13.862 -34.369 264 1HB SER 37 1HB SER 37 41.050 14.807 -36.138 265 2HB SER 37 2HB SER 37 39.705 14.438 -35.059 266 HG SER 37 HG SER 37 41.399 16.527 -35.005 267 H CYS 38 H CYS 38 42.116 14.606 -32.255 268 HA CYS 38 HA CYS 38 39.966 13.341 -30.773 269 1HB CYS 38 2HB CYS 38 41.168 11.856 -29.589 270 2HB CYS 38 1HB CYS 38 42.468 12.999 -29.325 271 H GLN 39 H GLN 39 39.394 14.430 -28.932 272 HA GLN 39 HA GLN 39 41.009 16.771 -28.195 273 1HB GLN 39 2HB GLN 39 39.356 18.259 -28.580 274 2HB GLN 39 1HB GLN 39 38.107 17.169 -27.993 275 1HG GLN 39 1HG GLN 39 39.374 17.111 -30.723 276 2HG GLN 39 2HG GLN 39 38.159 15.977 -30.137 277 2HE2 GLN 39 1HE2 GLN 39 38.650 19.491 -30.321 278 1HE2 GLN 39 2HE2 GLN 39 37.050 19.857 -30.863 279 H GLU 40 H GLU 40 40.524 17.615 -26.047 280 HA GLU 40 HA GLU 40 40.736 15.926 -23.993 281 1HB GLU 40 1HB GLU 40 39.649 18.635 -24.267 282 2HB GLU 40 2HB GLU 40 39.058 17.779 -22.850 283 1HG GLU 40 1HG GLU 40 40.906 18.696 -21.939 284 2HG GLU 40 2HG GLU 40 41.640 17.228 -22.583 285 H THR 41 H THR 41 39.492 14.650 -22.692 286 HA THR 41 HA THR 41 37.353 13.267 -23.673 287 HB THR 41 HB THR 41 38.037 13.878 -20.798 288 HG1 THR 41 HG1 THR 41 38.279 11.361 -22.023 289 1HG2 THR 41 1HG2 THR 41 35.628 13.298 -21.070 290 2HG2 THR 41 2HG2 THR 41 36.124 11.771 -21.797 291 3HG2 THR 41 3HG2 THR 41 36.540 12.126 -20.120 292 H ALA 42 H ALA 42 37.354 16.416 -22.252 293 HA ALA 42 HA ALA 42 35.742 18.038 -22.227 294 1HB ALA 42 1HB ALA 42 34.679 16.114 -24.056 295 2HB ALA 42 2HB ALA 42 33.375 16.762 -23.061 296 3HB ALA 42 3HB ALA 42 34.405 17.855 -23.986 297 H VAL 43 H VAL 43 33.504 15.347 -21.784 298 HA VAL 43 HA VAL 43 31.982 14.993 -20.107 299 HB VAL 43 HB VAL 43 33.288 14.735 -17.817 300 1HG1 VAL 43 1HG1 VAL 43 33.312 13.022 -20.261 301 2HG1 VAL 43 2HG1 VAL 43 34.197 12.505 -18.827 302 3HG1 VAL 43 3HG1 VAL 43 32.459 12.792 -18.736 303 1HG2 VAL 43 1HG2 VAL 43 35.297 15.910 -18.593 304 2HG2 VAL 43 2HG2 VAL 43 35.651 14.237 -18.167 305 3HG2 VAL 43 3HG2 VAL 43 35.509 14.706 -19.860 306 H THR 44 H THR 44 33.845 16.500 -17.614 307 HA THR 44 HA THR 44 33.515 18.335 -16.318 308 HB THR 44 HB THR 44 31.865 19.810 -18.274 309 HG1 THR 44 HG1 THR 44 34.518 18.949 -18.853 310 1HG2 THR 44 1HG2 THR 44 33.360 20.461 -16.092 311 2HG2 THR 44 2HG2 THR 44 34.475 20.837 -17.406 312 3HG2 THR 44 3HG2 THR 44 32.883 21.596 -17.356 313 H GLN 45 H GLN 45 31.479 20.058 -15.902 314 HA GLN 45 HA GLN 45 29.301 18.263 -15.109 315 1HB GLN 45 2HB GLN 45 28.693 20.024 -13.500 316 2HB GLN 45 1HB GLN 45 29.986 21.038 -14.125 317 1HG GLN 45 1HG GLN 45 31.504 19.024 -13.495 318 2HG GLN 45 2HG GLN 45 30.963 20.155 -12.255 319 2HE2 GLN 45 1HE2 GLN 45 30.882 18.891 -10.502 320 1HE2 GLN 45 2HE2 GLN 45 29.918 17.465 -10.354 321 H THR 46 H THR 46 27.256 20.022 -14.706 322 HA THR 46 HA THR 46 26.798 21.369 -17.268 323 HB THR 46 HB THR 46 24.416 20.387 -17.195 324 HG1 THR 46 HG1 THR 46 25.603 19.065 -15.135 325 1HG2 THR 46 1HG2 THR 46 26.924 19.093 -18.103 326 2HG2 THR 46 2HG2 THR 46 25.459 18.110 -18.137 327 3HG2 THR 46 3HG2 THR 46 25.525 19.627 -19.032 328 H TYR 47 H TYR 47 25.595 23.195 -17.133 329 HA TYR 47 HA TYR 47 23.988 23.737 -14.779 330 1HB TYR 47 1HB TYR 47 25.132 25.806 -14.210 331 2HB TYR 47 2HB TYR 47 26.266 24.462 -14.130 332 HD1 TYR 47 HD1 TYR 47 25.317 27.493 -15.958 333 HD2 TYR 47 HD2 TYR 47 28.088 24.274 -15.717 334 HE1 TYR 47 HE1 TYR 47 26.827 28.686 -17.489 335 HE2 TYR 47 HE2 TYR 47 29.607 25.459 -17.246 336 HH TYR 47 HH TYR 47 30.002 27.948 -17.886 337 H GLY 48 H GLY 48 22.883 25.909 -14.987 338 1HA GLY 48 1HA GLY 48 21.300 27.053 -16.224 339 2HA GLY 48 2HA GLY 48 22.717 27.527 -17.149 340 H GLY 49 H GLY 49 21.819 27.562 -19.160 341 1HA GLY 49 1HA GLY 49 21.304 26.622 -21.204 342 2HA GLY 49 2HA GLY 49 21.488 25.036 -20.469 343 H ASN 50 H ASN 50 19.691 23.963 -21.020 344 HA ASN 50 HA ASN 50 17.104 25.268 -20.482 345 1HB ASN 50 1HB ASN 50 18.048 24.045 -22.849 346 2HB ASN 50 2HB ASN 50 16.832 22.962 -22.178 347 2HD2 ASN 50 1HD2 ASN 50 17.328 26.441 -22.685 348 1HD2 ASN 50 2HD2 ASN 50 15.729 26.758 -23.255 349 H SER 51 H SER 51 19.211 22.787 -19.590 350 HA SER 51 HA SER 51 17.077 21.138 -18.448 351 1HB SER 51 2HB SER 51 18.632 19.392 -18.266 352 2HB SER 51 1HB SER 51 20.011 20.492 -18.284 353 HG SER 51 HG SER 51 18.663 19.346 -20.367 354 H ASN 52 H ASN 52 19.311 23.557 -17.592 355 HA ASN 52 HA ASN 52 19.772 24.602 -15.626 356 1HB ASN 52 1HB ASN 52 17.397 24.546 -15.180 357 2HB ASN 52 2HB ASN 52 17.498 22.875 -14.637 358 2HD2 ASN 52 1HD2 ASN 52 16.991 22.953 -12.556 359 1HD2 ASN 52 2HD2 ASN 52 17.746 23.965 -11.377 360 H GLY 53 H GLY 53 21.076 22.080 -16.427 361 1HA GLY 53 1HA GLY 53 22.946 21.049 -15.464 362 2HA GLY 53 2HA GLY 53 22.387 21.561 -13.879 363 H GLU 54 H GLU 54 21.402 19.400 -16.536 364 HA GLU 54 HA GLU 54 20.748 17.373 -14.502 365 1HB GLU 54 1HB GLU 54 19.166 18.191 -16.927 366 2HB GLU 54 2HB GLU 54 18.959 16.616 -16.189 367 1HG GLU 54 1HG GLU 54 18.141 19.286 -15.231 368 2HG GLU 54 2HG GLU 54 17.318 17.732 -15.105 369 HA PRO 55 HA PRO 55 23.083 14.317 -16.625 370 1HB PRO 55 2HB PRO 55 22.105 12.264 -16.299 371 2HB PRO 55 1HB PRO 55 20.608 12.740 -17.108 372 1HG PRO 55 1HG PRO 55 19.887 12.772 -14.901 373 2HG PRO 55 2HG PRO 55 21.486 13.233 -14.291 374 1HD PRO 55 2HD PRO 55 20.495 15.312 -14.197 375 2HD PRO 55 1HD PRO 55 19.356 14.937 -15.506 376 H CYS 56 H CYS 56 23.742 13.889 -18.707 377 HA CYS 56 HA CYS 56 22.095 15.057 -20.805 378 1HB CYS 56 1HB CYS 56 24.693 15.407 -20.360 379 2HB CYS 56 2HB CYS 56 24.796 14.008 -21.420 380 H VAL 57 H VAL 57 22.584 13.871 -23.062 381 HA VAL 57 HA VAL 57 22.058 11.003 -22.674 382 HB VAL 57 HB VAL 57 19.956 12.377 -23.064 383 1HG1 VAL 57 1HG1 VAL 57 21.470 13.329 -25.250 384 2HG1 VAL 57 2HG1 VAL 57 20.122 12.405 -25.909 385 3HG1 VAL 57 3HG1 VAL 57 19.817 13.744 -24.805 386 1HG2 VAL 57 1HG2 VAL 57 20.447 9.856 -23.597 387 2HG2 VAL 57 2HG2 VAL 57 18.941 10.608 -24.119 388 3HG2 VAL 57 3HG2 VAL 57 20.262 10.392 -25.267 389 H LEU 58 H LEU 58 24.519 11.381 -23.308 390 HA LEU 58 HA LEU 58 24.718 11.343 -26.239 391 1HB LEU 58 1HB LEU 58 27.317 11.295 -25.333 392 2HB LEU 58 2HB LEU 58 26.454 12.695 -25.929 393 HG LEU 58 HG LEU 58 27.596 13.171 -23.828 394 1HD1 LEU 58 1HD1 LEU 58 25.214 14.028 -24.527 395 2HD1 LEU 58 2HD1 LEU 58 24.738 13.170 -23.062 396 3HD1 LEU 58 3HD1 LEU 58 25.942 14.454 -22.979 397 1HD2 LEU 58 1HD2 LEU 58 26.475 10.636 -23.066 398 2HD2 LEU 58 2HD2 LEU 58 27.718 11.599 -22.266 399 3HD2 LEU 58 3HD2 LEU 58 26.013 11.889 -21.915 400 HA PRO 59 HA PRO 59 27.080 10.895 -27.257 401 1HB PRO 59 2HB PRO 59 28.250 9.694 -28.785 402 2HB PRO 59 1HB PRO 59 26.797 8.871 -29.349 403 1HG PRO 59 1HG PRO 59 27.799 7.079 -28.291 404 2HG PRO 59 2HG PRO 59 28.669 8.123 -27.151 405 1HD PRO 59 1HD PRO 59 25.825 7.188 -27.075 406 2HD PRO 59 2HD PRO 59 26.996 7.343 -25.748 407 H PHE 60 H PHE 60 25.987 12.352 -28.416 408 HA PHE 60 HA PHE 60 23.334 11.583 -29.447 409 1HB PHE 60 1HB PHE 60 22.831 14.055 -29.285 410 2HB PHE 60 2HB PHE 60 23.071 13.236 -27.745 411 HD1 PHE 60 HD1 PHE 60 24.492 15.609 -30.143 412 HD2 PHE 60 HD2 PHE 60 24.959 13.726 -26.357 413 HE1 PHE 60 HE1 PHE 60 26.233 17.242 -29.549 414 HE2 PHE 60 HE2 PHE 60 26.701 15.356 -25.754 415 HZ PHE 60 HZ PHE 60 27.338 17.113 -27.353 416 H THR 61 H THR 61 22.713 13.478 -31.180 417 HA THR 61 HA THR 61 24.938 13.559 -33.110 418 HB THR 61 HB THR 61 22.317 13.550 -34.369 419 HG1 THR 61 HG1 THR 61 22.662 10.991 -33.730 420 1HG2 THR 61 1HG2 THR 61 24.834 11.912 -34.630 421 2HG2 THR 61 2HG2 THR 61 23.417 11.683 -35.656 422 3HG2 THR 61 3HG2 THR 61 24.282 13.220 -35.676 423 H TYR 62 H TYR 62 25.419 15.516 -33.852 424 HA TYR 62 HA TYR 62 23.352 17.553 -34.053 425 1HB TYR 62 1HB TYR 62 24.192 17.920 -31.807 426 2HB TYR 62 2HB TYR 62 25.853 17.918 -32.392 427 HD1 TYR 62 HD1 TYR 62 22.664 19.796 -32.467 428 HD2 TYR 62 HD2 TYR 62 26.842 19.884 -33.267 429 HE1 TYR 62 HE1 TYR 62 22.541 22.228 -32.805 430 HE2 TYR 62 HE2 TYR 62 26.730 22.317 -33.608 431 HH TYR 62 HH TYR 62 24.593 23.975 -34.358 432 H ASN 63 H ASN 63 23.618 18.797 -35.807 433 HA ASN 63 HA ASN 63 24.547 19.760 -37.650 434 1HB ASN 63 1HB ASN 63 26.552 19.921 -35.747 435 2HB ASN 63 2HB ASN 63 27.351 19.149 -37.114 436 2HD2 ASN 63 1HD2 ASN 63 25.771 22.006 -35.952 437 1HD2 ASN 63 2HD2 ASN 63 26.243 23.044 -37.250 438 H GLY 64 H GLY 64 24.512 16.621 -36.972 439 1HA GLY 64 1HA GLY 64 24.285 15.040 -38.772 440 2HA GLY 64 2HA GLY 64 25.542 15.910 -39.637 441 H ARG 65 H ARG 65 26.673 15.848 -36.601 442 HA ARG 65 HA ARG 65 28.088 13.305 -37.053 443 1HB ARG 65 1HB ARG 65 30.008 14.223 -35.973 444 2HB ARG 65 2HB ARG 65 29.468 15.395 -37.165 445 1HG ARG 65 1HG ARG 65 28.255 16.552 -35.263 446 2HG ARG 65 2HG ARG 65 29.179 15.509 -34.180 447 1HD ARG 65 1HD ARG 65 30.635 17.240 -34.252 448 2HD ARG 65 2HD ARG 65 31.174 16.415 -35.714 449 HE ARG 65 HE ARG 65 29.104 18.240 -36.326 450 1HH1 ARG 65 1HH1 ARG 65 32.474 18.123 -35.452 451 2HH1 ARG 65 2HH1 ARG 65 32.865 19.611 -36.246 452 1HH2 ARG 65 1HH2 ARG 65 29.609 20.201 -37.376 453 2HH2 ARG 65 2HH2 ARG 65 31.236 20.793 -37.339 454 H THR 66 H THR 66 29.337 13.318 -34.476 455 HA THR 66 HA THR 66 27.117 13.091 -32.593 456 HB THR 66 HB THR 66 29.006 10.787 -33.113 457 HG1 THR 66 HG1 THR 66 27.299 9.814 -34.131 458 1HG2 THR 66 1HG2 THR 66 27.468 11.453 -30.848 459 2HG2 THR 66 2HG2 THR 66 26.634 10.123 -31.649 460 3HG2 THR 66 3HG2 THR 66 28.321 9.944 -31.168 461 H PHE 67 H PHE 67 27.715 13.248 -30.432 462 HA PHE 67 HA PHE 67 30.572 13.690 -29.895 463 1HB PHE 67 1HB PHE 67 28.420 15.399 -28.661 464 2HB PHE 67 2HB PHE 67 30.159 15.685 -28.696 465 HD1 PHE 67 HD1 PHE 67 27.375 15.137 -31.125 466 HD2 PHE 67 HD2 PHE 67 30.898 17.308 -30.131 467 HE1 PHE 67 HE1 PHE 67 27.111 16.492 -33.162 468 HE2 PHE 67 HE2 PHE 67 30.639 18.667 -32.164 469 HZ PHE 67 HZ PHE 67 28.745 18.258 -33.683 470 H TYR 68 H TYR 68 31.320 13.003 -27.936 471 HA TYR 68 HA TYR 68 29.573 11.202 -26.475 472 1HB TYR 68 1HB TYR 68 32.538 11.745 -26.365 473 2HB TYR 68 2HB TYR 68 31.729 10.664 -25.237 474 HD1 TYR 68 HD1 TYR 68 29.844 10.121 -27.965 475 HD2 TYR 68 HD2 TYR 68 33.858 9.519 -26.706 476 HE1 TYR 68 HE1 TYR 68 30.065 8.281 -29.579 477 HE2 TYR 68 HE2 TYR 68 34.097 7.678 -28.314 478 HH TYR 68 HH TYR 68 32.336 6.007 -29.475 479 H SER 69 H SER 69 30.212 14.421 -26.294 480 HA SER 69 HA SER 69 29.095 14.659 -23.687 481 1HB SER 69 2HB SER 69 30.887 15.352 -22.400 482 2HB SER 69 1HB SER 69 31.835 15.853 -23.800 483 HG SER 69 HG SER 69 31.991 13.578 -22.482 484 H CYS 70 H CYS 70 30.030 17.218 -23.039 485 HA CYS 70 HA CYS 70 28.372 18.846 -24.565 486 1HB CYS 70 2HB CYS 70 29.450 20.720 -23.398 487 2HB CYS 70 1HB CYS 70 30.741 19.652 -22.865 488 H THR 71 H THR 71 29.299 20.987 -25.554 489 HA THR 71 HA THR 71 31.763 20.975 -26.904 490 HB THR 71 HB THR 71 30.768 19.113 -28.180 491 HG1 THR 71 HG1 THR 71 30.757 21.236 -30.007 492 1HG2 THR 71 1HG2 THR 71 28.421 20.549 -27.983 493 2HG2 THR 71 2HG2 THR 71 28.882 20.762 -29.672 494 3HG2 THR 71 3HG2 THR 71 28.686 19.139 -29.010 495 H THR 72 H THR 72 31.807 22.658 -28.685 496 HA THR 72 HA THR 72 29.780 24.738 -28.179 497 HB THR 72 HB THR 72 31.775 26.339 -28.731 498 HG1 THR 72 HG1 THR 72 33.451 25.004 -29.116 499 1HG2 THR 72 1HG2 THR 72 31.103 24.982 -26.160 500 2HG2 THR 72 2HG2 THR 72 32.466 26.100 -26.206 501 3HG2 THR 72 3HG2 THR 72 30.852 26.658 -26.646 502 H GLU 73 H GLU 73 29.741 22.827 -30.295 503 HA GLU 73 HA GLU 73 30.634 24.227 -32.681 504 1HB GLU 73 1HB GLU 73 29.369 21.553 -32.157 505 2HB GLU 73 2HB GLU 73 29.462 22.202 -33.788 506 1HG GLU 73 1HG GLU 73 31.938 22.099 -32.146 507 2HG GLU 73 2HG GLU 73 31.314 20.606 -32.848 508 H GLY 74 H GLY 74 28.216 24.848 -30.727 509 1HA GLY 74 1HA GLY 74 26.279 25.318 -32.909 510 2HA GLY 74 2HA GLY 74 25.798 24.960 -31.258 511 H ARG 75 H ARG 75 28.392 26.866 -30.853 512 HA ARG 75 HA ARG 75 27.012 29.399 -31.301 513 1HB ARG 75 1HB ARG 75 27.670 30.068 -28.913 514 2HB ARG 75 2HB ARG 75 26.266 29.036 -29.119 515 1HG ARG 75 1HG ARG 75 28.650 27.455 -28.815 516 2HG ARG 75 2HG ARG 75 28.476 28.593 -27.480 517 1HD ARG 75 2HD ARG 75 27.265 26.828 -26.676 518 2HD ARG 75 1HD ARG 75 26.746 26.310 -28.279 519 HE ARG 75 HE ARG 75 24.865 27.557 -27.991 520 1HH1 ARG 75 1HH1 ARG 75 27.348 28.816 -25.904 521 2HH1 ARG 75 2HH1 ARG 75 26.309 29.976 -25.149 522 1HH2 ARG 75 1HH2 ARG 75 23.486 29.085 -27.010 523 2HH2 ARG 75 2HH2 ARG 75 24.111 30.131 -25.779 524 H GLN 76 H GLN 76 28.385 31.263 -31.114 525 HA GLN 76 HA GLN 76 31.192 30.608 -31.674 526 1HB GLN 76 1HB GLN 76 31.319 32.714 -32.843 527 2HB GLN 76 2HB GLN 76 29.912 31.831 -33.418 528 1HG GLN 76 1HG GLN 76 28.604 33.210 -31.687 529 2HG GLN 76 2HG GLN 76 30.026 34.252 -31.667 530 2HE2 GLN 76 1HE2 GLN 76 27.096 34.220 -32.803 531 1HE2 GLN 76 2HE2 GLN 76 27.302 34.954 -34.352 532 H ASP 77 H ASP 77 29.785 31.016 -28.995 533 HA ASP 77 HA ASP 77 31.254 33.333 -27.985 534 1HB ASP 77 1HB ASP 77 29.974 32.329 -25.798 535 2HB ASP 77 2HB ASP 77 29.296 33.542 -26.880 536 H GLY 78 H GLY 78 30.856 29.879 -27.259 537 1HA GLY 78 1HA GLY 78 33.005 28.643 -27.014 538 2HA GLY 78 2HA GLY 78 33.523 29.969 -25.986 539 H HIS 79 H HIS 79 30.250 28.838 -25.769 540 HA HIS 79 HA HIS 79 30.842 27.812 -23.088 541 1HB HIS 79 1HB HIS 79 28.119 28.367 -24.268 542 2HB HIS 79 2HB HIS 79 28.527 28.131 -22.572 543 HD1 HIS 79 HD1 HIS 79 31.120 30.213 -23.649 544 HD2 HIS 79 HD2 HIS 79 27.075 30.848 -22.939 545 HE1 HIS 79 HE1 HIS 79 30.881 32.691 -23.294 546 HE2 HIS 79 HE2 HIS 79 28.411 33.061 -22.954 547 H LEU 80 H LEU 80 31.051 25.698 -22.842 548 HA LEU 80 HA LEU 80 30.412 23.818 -24.853 549 1HB LEU 80 1HB LEU 80 31.256 23.603 -21.982 550 2HB LEU 80 2HB LEU 80 30.816 22.173 -22.894 551 HG LEU 80 HG LEU 80 32.582 22.773 -24.564 552 1HD1 LEU 80 1HD1 LEU 80 33.203 24.870 -22.496 553 2HD1 LEU 80 2HD1 LEU 80 34.344 24.349 -23.736 554 3HD1 LEU 80 3HD1 LEU 80 32.824 25.112 -24.201 555 1HD2 LEU 80 1HD2 LEU 80 33.297 22.215 -21.700 556 2HD2 LEU 80 2HD2 LEU 80 33.123 21.071 -23.030 557 3HD2 LEU 80 3HD2 LEU 80 34.490 22.184 -22.998 558 H TRP 81 H TRP 81 28.607 22.702 -25.249 559 HA TRP 81 HA TRP 81 26.541 22.562 -23.165 560 1HB TRP 81 1HB TRP 81 24.798 23.059 -24.808 561 2HB TRP 81 2HB TRP 81 25.943 24.392 -24.697 562 HD1 TRP 81 HD1 TRP 81 27.335 24.991 -26.846 563 HE1 TRP 81 HE1 TRP 81 27.208 24.227 -29.298 564 HE3 TRP 81 HE3 TRP 81 24.277 20.933 -26.278 565 HZ2 TRP 81 HZ2 TRP 81 25.980 22.176 -30.796 566 HZ3 TRP 81 HZ3 TRP 81 23.675 19.624 -28.271 567 HH2 TRP 81 HH2 TRP 81 24.510 20.233 -30.483 568 H CYS 82 H CYS 82 24.951 20.867 -23.526 569 HA CYS 82 HA CYS 82 25.716 18.791 -25.425 570 1HB CYS 82 2HB CYS 82 26.784 18.548 -23.024 571 2HB CYS 82 1HB CYS 82 26.168 17.144 -23.887 572 H SER 83 H SER 83 24.007 16.849 -25.088 573 HA SER 83 HA SER 83 21.370 18.156 -24.858 574 1HB SER 83 1HB SER 83 21.425 17.717 -27.109 575 2HB SER 83 2HB SER 83 22.479 16.316 -26.921 576 HG SER 83 HG SER 83 20.591 15.379 -27.322 577 H THR 84 H THR 84 20.111 17.400 -23.306 578 HA THR 84 HA THR 84 20.731 14.887 -22.004 579 HB THR 84 HB THR 84 19.241 15.525 -20.281 580 HG1 THR 84 HG1 THR 84 17.999 16.898 -22.315 581 1HG2 THR 84 1HG2 THR 84 21.362 16.935 -20.617 582 2HG2 THR 84 2HG2 THR 84 20.272 18.200 -21.186 583 3HG2 THR 84 3HG2 THR 84 20.116 17.574 -19.544 584 H THR 85 H THR 85 18.649 15.981 -24.454 585 HA THR 85 HA THR 85 16.981 13.565 -24.169 586 HB THR 85 HB THR 85 16.257 16.247 -25.359 587 HG1 THR 85 HG1 THR 85 16.101 15.827 -23.004 588 1HG2 THR 85 1HG2 THR 85 15.316 13.666 -26.105 589 2HG2 THR 85 2HG2 THR 85 14.026 14.493 -25.233 590 3HG2 THR 85 3HG2 THR 85 14.751 15.243 -26.656 591 H SER 86 H SER 86 16.872 12.179 -25.863 592 HA SER 86 HA SER 86 18.822 12.039 -27.781 593 1HB SER 86 1HB SER 86 16.395 10.950 -28.884 594 2HB SER 86 2HB SER 86 17.794 10.099 -28.232 595 HG SER 86 HG SER 86 16.456 9.543 -26.710 596 H ASN 87 H ASN 87 15.590 13.459 -28.124 597 HA ASN 87 HA ASN 87 16.376 14.577 -30.719 598 1HB ASN 87 1HB ASN 87 13.942 13.514 -29.699 599 2HB ASN 87 2HB ASN 87 13.676 15.223 -30.031 600 2HD2 ASN 87 1HD2 ASN 87 12.561 15.232 -31.863 601 1HD2 ASN 87 2HD2 ASN 87 13.044 14.462 -33.332 602 H TYR 88 H TYR 88 17.832 16.026 -29.400 603 HA TYR 88 HA TYR 88 16.650 18.081 -27.809 604 1HB TYR 88 1HB TYR 88 18.840 17.855 -27.188 605 2HB TYR 88 2HB TYR 88 19.366 17.420 -28.808 606 HD1 TYR 88 HD1 TYR 88 18.490 20.259 -26.608 607 HD2 TYR 88 HD2 TYR 88 20.241 19.054 -30.292 608 HE1 TYR 88 HE1 TYR 88 19.385 22.529 -26.917 609 HE2 TYR 88 HE2 TYR 88 21.142 21.320 -30.612 610 HH TYR 88 HH TYR 88 20.137 23.899 -29.320 611 H GLU 89 H GLU 89 17.287 17.618 -31.173 612 HA GLU 89 HA GLU 89 17.259 20.315 -31.997 613 1HB GLU 89 1HB GLU 89 16.592 17.762 -33.462 614 2HB GLU 89 2HB GLU 89 16.637 19.337 -34.243 615 1HG GLU 89 1HG GLU 89 19.024 19.510 -33.349 616 2HG GLU 89 2HG GLU 89 18.894 17.778 -33.044 617 H GLN 90 H GLN 90 14.835 18.342 -30.738 618 HA GLN 90 HA GLN 90 12.754 20.143 -31.783 619 1HB GLN 90 1HB GLN 90 11.839 18.284 -32.656 620 2HB GLN 90 2HB GLN 90 12.892 17.231 -31.726 621 1HG GLN 90 2HG GLN 90 11.353 17.648 -29.763 622 2HG GLN 90 1HG GLN 90 10.709 16.676 -31.085 623 2HE2 GLN 90 1HE2 GLN 90 8.584 17.095 -30.779 624 1HE2 GLN 90 2HE2 GLN 90 7.871 18.658 -30.965 625 H ASP 91 H ASP 91 13.850 18.209 -29.042 626 HA ASP 91 HA ASP 91 11.869 19.163 -27.232 627 1HB ASP 91 1HB ASP 91 14.462 17.679 -26.917 628 2HB ASP 91 2HB ASP 91 13.597 18.276 -25.504 629 H GLN 92 H GLN 92 15.247 20.038 -27.855 630 HA GLN 92 HA GLN 92 16.304 22.055 -27.586 631 1HB GLN 92 1HB GLN 92 13.787 22.906 -27.746 632 2HB GLN 92 2HB GLN 92 14.053 23.253 -26.043 633 1HG GLN 92 2HG GLN 92 16.299 24.294 -27.189 634 2HG GLN 92 1HG GLN 92 14.853 25.204 -26.753 635 2HE2 GLN 92 1HE2 GLN 92 15.731 23.012 -29.406 636 1HE2 GLN 92 2HE2 GLN 92 15.253 24.082 -30.675 637 H LYS 93 H LYS 93 15.794 19.817 -25.510 638 HA LYS 93 HA LYS 93 16.415 21.213 -23.033 639 1HB LYS 93 1HB LYS 93 15.857 18.338 -23.728 640 2HB LYS 93 2HB LYS 93 16.491 18.792 -22.153 641 1HG LYS 93 1HG LYS 93 13.923 18.524 -22.531 642 2HG LYS 93 2HG LYS 93 14.551 19.818 -21.508 643 1HD LYS 93 1HD LYS 93 14.246 21.437 -23.206 644 2HD LYS 93 2HD LYS 93 13.984 20.201 -24.439 645 1HE LYS 93 2HE LYS 93 12.006 19.574 -22.735 646 2HE LYS 93 1HE LYS 93 11.812 20.701 -24.076 647 1HZ LYS 93 1HZ LYS 93 12.516 22.463 -22.391 648 2HZ LYS 93 2HZ LYS 93 10.954 21.828 -22.255 649 3HZ LYS 93 3HZ LYS 93 12.175 21.302 -21.209 650 H TYR 94 H TYR 94 18.464 21.996 -23.136 651 HA TYR 94 HA TYR 94 20.606 20.001 -23.432 652 1HB TYR 94 1HB TYR 94 21.929 21.456 -24.747 653 2HB TYR 94 2HB TYR 94 20.318 21.542 -25.450 654 HD1 TYR 94 HD1 TYR 94 18.943 23.557 -25.160 655 HD2 TYR 94 HD2 TYR 94 22.921 23.360 -23.665 656 HE1 TYR 94 HE1 TYR 94 18.966 26.003 -24.917 657 HE2 TYR 94 HE2 TYR 94 22.957 25.805 -23.418 658 HH TYR 94 HH TYR 94 20.334 27.686 -23.357 659 H SER 95 H SER 95 22.696 20.759 -22.487 660 HA SER 95 HA SER 95 22.346 22.643 -20.268 661 1HB SER 95 1HB SER 95 23.966 20.655 -19.193 662 2HB SER 95 2HB SER 95 22.270 20.940 -18.801 663 HG SER 95 HG SER 95 21.686 19.291 -20.037 664 H PHE 96 H PHE 96 24.197 23.741 -19.659 665 HA PHE 96 HA PHE 96 26.253 23.897 -21.649 666 1HB PHE 96 1HB PHE 96 25.629 25.352 -19.111 667 2HB PHE 96 2HB PHE 96 27.236 25.513 -19.812 668 HD1 PHE 96 HD1 PHE 96 26.571 25.460 -22.696 669 HD2 PHE 96 HD2 PHE 96 24.681 27.448 -19.444 670 HE1 PHE 96 HE1 PHE 96 25.727 27.177 -24.243 671 HE2 PHE 96 HE2 PHE 96 23.831 29.169 -20.984 672 HZ PHE 96 HZ PHE 96 24.355 29.034 -23.388 673 H CYS 97 H CYS 97 28.586 24.315 -20.453 674 HA CYS 97 HA CYS 97 29.181 22.141 -18.618 675 1HB CYS 97 1HB CYS 97 29.641 21.941 -21.453 676 2HB CYS 97 2HB CYS 97 31.181 21.935 -20.600 677 H THR 98 H THR 98 30.478 22.957 -17.107 678 HA THR 98 HA THR 98 31.625 25.481 -17.184 679 HB THR 98 HB THR 98 33.026 24.664 -15.251 680 HG1 THR 98 HG1 THR 98 33.043 22.587 -14.775 681 1HG2 THR 98 1HG2 THR 98 30.046 24.263 -15.269 682 2HG2 THR 98 2HG2 THR 98 31.012 24.183 -13.796 683 3HG2 THR 98 3HG2 THR 98 30.950 25.678 -14.731 684 H ASP 99 H ASP 99 33.890 22.917 -16.507 685 HA ASP 99 HA ASP 99 35.827 22.246 -17.527 686 1HB ASP 99 1HB ASP 99 34.439 22.520 -19.676 687 2HB ASP 99 2HB ASP 99 35.241 24.080 -19.844 688 H HIS 100 H HIS 100 35.154 25.685 -18.184 689 HA HIS 100 HA HIS 100 37.889 26.447 -17.791 690 1HB HIS 100 1HB HIS 100 35.561 27.638 -18.868 691 2HB HIS 100 2HB HIS 100 36.083 28.669 -17.540 692 HD1 HIS 100 HD1 HIS 100 37.328 27.256 -20.811 693 HD2 HIS 100 HD2 HIS 100 38.297 30.214 -18.059 694 HE1 HIS 100 HE1 HIS 100 39.148 28.612 -21.894 695 HE2 HIS 100 HE2 HIS 100 39.664 30.443 -20.242 696 H THR 101 H THR 101 38.155 28.493 -16.245 697 HA THR 101 HA THR 101 38.336 27.636 -13.666 698 HB THR 101 HB THR 101 37.930 30.260 -13.179 699 HG1 THR 101 HG1 THR 101 38.436 31.443 -15.019 700 1HG2 THR 101 1HG2 THR 101 40.058 28.671 -13.203 701 2HG2 THR 101 2HG2 THR 101 40.431 29.607 -14.650 702 3HG2 THR 101 3HG2 THR 101 40.211 30.424 -13.103 No H/Q in entry = 702 Start of MODEL 18 1 H1 TYR 1 H1 TYR 1 47.428 18.364 -41.716 2 H2 TYR 1 H2 TYR 1 46.307 19.629 -41.639 3 H3 TYR 1 H3 TYR 1 46.072 18.232 -40.713 4 HA TYR 1 HA TYR 1 44.613 17.918 -42.452 5 1HB TYR 1 1HB TYR 1 46.468 19.684 -43.751 6 2HB TYR 1 2HB TYR 1 46.153 18.305 -44.798 7 HD1 TYR 1 HD1 TYR 1 43.901 17.886 -45.659 8 HD2 TYR 1 HD2 TYR 1 44.736 21.283 -43.238 9 HE1 TYR 1 HE1 TYR 1 41.773 18.899 -46.359 10 HE2 TYR 1 HE2 TYR 1 42.610 22.307 -43.930 11 HH TYR 1 HH TYR 1 41.047 22.079 -46.003 12 H GLY 2 H GLY 2 44.297 15.867 -43.099 13 1HA GLY 2 1HA GLY 2 45.027 13.919 -44.339 14 2HA GLY 2 2HA GLY 2 46.666 14.257 -43.804 15 H HIS 3 H HIS 3 47.150 12.400 -42.753 16 HA HIS 3 HA HIS 3 45.342 11.003 -41.078 17 1HB HIS 3 1HB HIS 3 48.229 10.819 -41.739 18 2HB HIS 3 2HB HIS 3 47.716 10.076 -40.227 19 HD1 HIS 3 HD1 HIS 3 47.036 9.894 -43.943 20 HD2 HIS 3 HD2 HIS 3 46.475 7.646 -40.494 21 HE1 HIS 3 HE1 HIS 3 46.211 7.652 -44.728 22 HE2 HIS 3 HE2 HIS 3 45.809 6.332 -42.620 23 H CYS 4 H CYS 4 45.243 10.861 -38.827 24 HA CYS 4 HA CYS 4 46.343 13.212 -37.440 25 1HB CYS 4 1HB CYS 4 44.499 12.139 -35.706 26 2HB CYS 4 2HB CYS 4 44.204 13.464 -36.819 27 H VAL 5 H VAL 5 47.910 12.943 -36.018 28 HA VAL 5 HA VAL 5 48.335 10.256 -34.881 29 HB VAL 5 HB VAL 5 50.728 11.705 -34.610 30 1HG1 VAL 5 1HG1 VAL 5 49.761 9.337 -36.099 31 2HG1 VAL 5 2HG1 VAL 5 51.330 9.996 -36.560 32 3HG1 VAL 5 3HG1 VAL 5 51.044 9.476 -34.898 33 1HG2 VAL 5 1HG2 VAL 5 49.428 12.134 -37.279 34 2HG2 VAL 5 2HG2 VAL 5 50.281 13.292 -36.257 35 3HG2 VAL 5 3HG2 VAL 5 51.184 12.048 -37.124 36 H THR 6 H THR 6 47.997 10.128 -32.766 37 HA THR 6 HA THR 6 47.583 12.453 -31.160 38 HB THR 6 HB THR 6 46.750 11.059 -29.566 39 HG1 THR 6 HG1 THR 6 47.706 8.861 -29.300 40 1HG2 THR 6 1HG2 THR 6 46.029 10.323 -32.014 41 2HG2 THR 6 2HG2 THR 6 46.810 8.819 -31.522 42 3HG2 THR 6 3HG2 THR 6 45.464 9.462 -30.582 43 H ASP 7 H ASP 7 49.915 9.771 -30.811 44 HA ASP 7 HA ASP 7 51.830 11.713 -29.704 45 1HB ASP 7 1HB ASP 7 51.657 8.844 -28.802 46 2HB ASP 7 2HB ASP 7 52.538 10.169 -28.046 47 H SER 8 H SER 8 51.928 8.276 -30.581 48 HA SER 8 HA SER 8 53.393 8.565 -32.948 49 1HB SER 8 1HB SER 8 55.088 9.406 -31.220 50 2HB SER 8 2HB SER 8 55.183 7.734 -30.666 51 HG SER 8 HG SER 8 55.506 7.417 -33.132 52 H GLY 9 H GLY 9 51.298 7.000 -32.382 53 1HA GLY 9 1HA GLY 9 52.370 4.359 -32.858 54 2HA GLY 9 2HA GLY 9 51.478 4.509 -31.353 55 H VAL 10 H VAL 10 49.481 6.286 -32.191 56 HA VAL 10 HA VAL 10 47.955 4.524 -33.985 57 HB VAL 10 HB VAL 10 46.714 6.636 -32.248 58 1HG1 VAL 10 1HG1 VAL 10 45.813 4.269 -33.791 59 2HG1 VAL 10 2HG1 VAL 10 44.965 4.634 -32.288 60 3HG1 VAL 10 3HG1 VAL 10 45.044 5.842 -33.572 61 1HG2 VAL 10 1HG2 VAL 10 48.184 4.384 -31.307 62 2HG2 VAL 10 2HG2 VAL 10 47.265 5.571 -30.380 63 3HG2 VAL 10 3HG2 VAL 10 46.470 4.118 -30.984 64 H VAL 11 H VAL 11 48.559 5.362 -35.967 65 HA VAL 11 HA VAL 11 48.349 8.195 -36.496 66 HB VAL 11 HB VAL 11 48.894 5.891 -38.372 67 1HG1 VAL 11 1HG1 VAL 11 48.215 8.617 -38.901 68 2HG1 VAL 11 2HG1 VAL 11 49.881 8.323 -39.396 69 3HG1 VAL 11 3HG1 VAL 11 48.579 7.321 -40.040 70 1HG2 VAL 11 1HG2 VAL 11 50.618 6.264 -36.636 71 2HG2 VAL 11 2HG2 VAL 11 51.207 6.580 -38.269 72 3HG2 VAL 11 3HG2 VAL 11 50.792 7.924 -37.204 73 H TYR 12 H TYR 12 46.077 8.374 -35.931 74 HA TYR 12 HA TYR 12 44.002 7.043 -37.257 75 1HB TYR 12 1HB TYR 12 44.126 9.769 -35.966 76 2HB TYR 12 2HB TYR 12 42.637 9.081 -36.605 77 HD1 TYR 12 HD1 TYR 12 41.960 6.752 -35.673 78 HD2 TYR 12 HD2 TYR 12 44.738 9.353 -33.773 79 HE1 TYR 12 HE1 TYR 12 41.588 5.581 -33.541 80 HE2 TYR 12 HE2 TYR 12 44.376 8.189 -31.634 81 HH TYR 12 HH TYR 12 42.553 5.238 -31.434 82 H SER 13 H SER 13 42.334 8.783 -38.423 83 HA SER 13 HA SER 13 43.813 10.051 -40.614 84 1HB SER 13 1HB SER 13 41.645 7.979 -40.852 85 2HB SER 13 2HB SER 13 41.974 9.119 -42.156 86 HG SER 13 HG SER 13 43.112 7.032 -42.225 87 H VAL 14 H VAL 14 43.049 11.985 -41.193 88 HA VAL 14 HA VAL 14 41.541 13.629 -39.772 89 HB VAL 14 HB VAL 14 42.518 14.504 -41.735 90 1HG1 VAL 14 1HG1 VAL 14 42.009 12.239 -42.971 91 2HG1 VAL 14 2HG1 VAL 14 40.624 13.142 -43.585 92 3HG1 VAL 14 3HG1 VAL 14 42.260 13.731 -43.876 93 1HG2 VAL 14 1HG2 VAL 14 39.908 15.084 -41.036 94 2HG2 VAL 14 2HG2 VAL 14 40.956 16.063 -42.064 95 3HG2 VAL 14 3HG2 VAL 14 39.842 14.903 -42.789 96 H GLY 15 H GLY 15 39.879 12.549 -38.661 97 1HA GLY 15 1HA GLY 15 37.424 12.800 -38.688 98 2HA GLY 15 2HA GLY 15 37.458 12.088 -40.294 99 H MET 16 H MET 16 39.694 10.615 -38.250 100 HA MET 16 HA MET 16 37.874 8.342 -37.872 101 1HB MET 16 1HB MET 16 40.437 8.468 -38.935 102 2HB MET 16 2HB MET 16 40.687 7.833 -37.315 103 1HG MET 16 1HG MET 16 38.473 6.578 -38.746 104 2HG MET 16 2HG MET 16 40.044 6.361 -39.517 105 1HE MET 16 1HE MET 16 42.092 5.920 -38.192 106 2HE MET 16 2HE MET 16 42.203 4.810 -36.825 107 3HE MET 16 3HE MET 16 41.795 4.197 -38.428 108 H GLN 17 H GLN 17 37.360 10.224 -36.080 109 HA GLN 17 HA GLN 17 38.771 10.580 -33.797 110 1HB GLN 17 1HB GLN 17 36.361 10.289 -32.674 111 2HB GLN 17 2HB GLN 17 36.793 11.688 -33.646 112 1HG GLN 17 1HG GLN 17 35.219 11.229 -35.130 113 2HG GLN 17 2HG GLN 17 35.800 9.576 -35.317 114 2HE2 GLN 17 1HE2 GLN 17 33.502 11.649 -33.802 115 1HE2 GLN 17 2HE2 GLN 17 32.532 10.411 -33.087 116 H TRP 18 H TRP 18 38.198 9.586 -31.580 117 HA TRP 18 HA TRP 18 37.743 6.736 -31.585 118 1HB TRP 18 1HB TRP 18 39.949 6.230 -30.517 119 2HB TRP 18 2HB TRP 18 40.090 6.771 -32.187 120 HD1 TRP 18 HD1 TRP 18 41.114 7.674 -28.681 121 HE1 TRP 18 HE1 TRP 18 42.570 9.786 -28.734 122 HE3 TRP 18 HE3 TRP 18 40.415 9.017 -33.562 123 HZ2 TRP 18 HZ2 TRP 18 43.316 11.779 -30.600 124 HZ3 TRP 18 HZ3 TRP 18 41.538 11.036 -34.404 125 HH2 TRP 18 HH2 TRP 18 42.961 12.384 -32.953 126 H LEU 19 H LEU 19 38.925 6.242 -29.037 127 HA LEU 19 HA LEU 19 37.696 8.188 -27.244 128 1HB LEU 19 1HB LEU 19 36.097 6.264 -27.955 129 2HB LEU 19 2HB LEU 19 37.077 5.276 -26.889 130 HG LEU 19 HG LEU 19 36.359 6.392 -24.974 131 1HD1 LEU 19 1HD1 LEU 19 35.934 8.654 -26.827 132 2HD1 LEU 19 2HD1 LEU 19 34.859 8.550 -25.433 133 3HD1 LEU 19 3HD1 LEU 19 36.605 8.630 -25.197 134 1HD2 LEU 19 1HD2 LEU 19 34.555 5.137 -26.352 135 2HD2 LEU 19 2HD2 LEU 19 34.065 6.119 -24.970 136 3HD2 LEU 19 3HD2 LEU 19 33.883 6.749 -26.608 137 H LYS 20 H LYS 20 38.265 7.823 -24.976 138 HA LYS 20 HA LYS 20 40.458 6.005 -24.434 139 1HB LYS 20 1HB LYS 20 41.148 8.481 -25.322 140 2HB LYS 20 2HB LYS 20 41.066 8.766 -23.589 141 1HG LYS 20 1HG LYS 20 42.544 6.645 -23.421 142 2HG LYS 20 2HG LYS 20 42.886 6.963 -25.122 143 1HD LYS 20 1HD LYS 20 44.596 8.057 -23.935 144 2HD LYS 20 2HD LYS 20 43.468 9.333 -24.398 145 1HE LYS 20 1HE LYS 20 43.903 9.820 -22.174 146 2HE LYS 20 2HE LYS 20 42.401 8.901 -22.084 147 1HZ LYS 20 1HZ LYS 20 43.782 6.906 -21.629 148 2HZ LYS 20 2HZ LYS 20 45.142 7.907 -21.532 149 3HZ LYS 20 3HZ LYS 20 43.876 8.088 -20.423 150 H THR 21 H THR 21 40.549 5.395 -22.328 151 HA THR 21 HA THR 21 38.763 6.799 -20.446 152 HB THR 21 HB THR 21 39.271 3.982 -19.828 153 HG1 THR 21 HG1 THR 21 39.088 3.965 -22.176 154 1HG2 THR 21 1HG2 THR 21 37.396 5.944 -19.214 155 2HG2 THR 21 2HG2 THR 21 36.516 4.784 -20.210 156 3HG2 THR 21 3HG2 THR 21 37.336 4.246 -18.744 157 H GLN 22 H GLN 22 39.478 7.099 -18.359 158 HA GLN 22 HA GLN 22 42.311 6.451 -17.890 159 1HB GLN 22 1HB GLN 22 40.613 8.793 -17.131 160 2HB GLN 22 2HB GLN 22 41.978 8.360 -16.109 161 1HG GLN 22 1HG GLN 22 42.561 8.524 -18.984 162 2HG GLN 22 2HG GLN 22 42.116 10.044 -18.209 163 2HE2 GLN 22 1HE2 GLN 22 44.348 7.336 -18.097 164 1HE2 GLN 22 2HE2 GLN 22 45.621 8.176 -17.287 165 H GLY 23 H GLY 23 39.886 4.791 -17.327 166 1HA GLY 23 1HA GLY 23 39.666 3.146 -15.662 167 2HA GLY 23 2HA GLY 23 40.597 4.156 -14.569 168 H ASN 24 H ASN 24 39.472 6.214 -13.894 169 HA ASN 24 HA ASN 24 36.663 5.580 -13.296 170 1HB ASN 24 1HB ASN 24 38.509 5.949 -11.464 171 2HB ASN 24 2HB ASN 24 38.219 7.654 -11.795 172 2HD2 ASN 24 1HD2 ASN 24 37.712 6.130 -9.377 173 1HD2 ASN 24 2HD2 ASN 24 36.025 6.292 -9.048 174 H LYS 25 H LYS 25 38.261 7.292 -15.490 175 HA LYS 25 HA LYS 25 36.168 9.340 -15.615 176 1HB LYS 25 1HB LYS 25 38.404 10.622 -16.649 177 2HB LYS 25 2HB LYS 25 37.636 10.949 -15.103 178 1HG LYS 25 1HG LYS 25 39.619 8.748 -15.218 179 2HG LYS 25 2HG LYS 25 40.214 10.407 -15.309 180 1HD LYS 25 1HD LYS 25 38.219 10.080 -13.230 181 2HD LYS 25 2HD LYS 25 39.592 8.994 -13.005 182 1HE LYS 25 2HE LYS 25 40.179 10.958 -11.861 183 2HE LYS 25 1HE LYS 25 39.570 11.993 -13.151 184 1HZ LYS 25 1HZ LYS 25 41.798 10.148 -13.690 185 2HZ LYS 25 2HZ LYS 25 41.409 11.606 -14.453 186 3HZ LYS 25 3HZ LYS 25 42.098 11.617 -12.908 187 H GLN 26 H GLN 26 35.671 10.078 -17.711 188 HA GLN 26 HA GLN 26 36.697 8.341 -19.857 189 1HB GLN 26 1HB GLN 26 33.980 9.594 -19.468 190 2HB GLN 26 2HB GLN 26 34.494 8.882 -20.992 191 1HG GLN 26 1HG GLN 26 34.898 6.745 -19.758 192 2HG GLN 26 2HG GLN 26 34.149 7.494 -18.349 193 2HE2 GLN 26 1HE2 GLN 26 31.935 8.029 -18.432 194 1HE2 GLN 26 2HE2 GLN 26 30.870 7.260 -19.553 195 H MET 27 H MET 27 36.923 9.259 -21.966 196 HA MET 27 HA MET 27 36.690 12.075 -22.395 197 1HB MET 27 1HB MET 27 38.729 12.074 -21.037 198 2HB MET 27 2HB MET 27 39.467 10.906 -22.124 199 1HG MET 27 1HG MET 27 38.529 13.226 -23.558 200 2HG MET 27 2HG MET 27 39.639 13.671 -22.262 201 1HE MET 27 1HE MET 27 41.728 12.341 -21.785 202 2HE MET 27 2HE MET 27 42.869 11.884 -23.050 203 3HE MET 27 3HE MET 27 42.433 13.578 -22.825 204 H LEU 28 H LEU 28 36.190 12.282 -24.477 205 HA LEU 28 HA LEU 28 37.009 10.161 -26.328 206 1HB LEU 28 1HB LEU 28 34.588 10.645 -26.099 207 2HB LEU 28 2HB LEU 28 34.885 12.275 -26.674 208 HG LEU 28 HG LEU 28 35.986 10.472 -28.578 209 1HD1 LEU 28 1HD1 LEU 28 34.006 9.145 -27.251 210 2HD1 LEU 28 2HD1 LEU 28 33.119 9.898 -28.575 211 3HD1 LEU 28 3HD1 LEU 28 34.489 8.843 -28.919 212 1HD2 LEU 28 1HD2 LEU 28 34.710 12.857 -28.574 213 2HD2 LEU 28 2HD2 LEU 28 34.976 11.878 -30.016 214 3HD2 LEU 28 3HD2 LEU 28 33.430 11.800 -29.170 215 H CYS 29 H CYS 29 37.874 10.659 -28.384 216 HA CYS 29 HA CYS 29 38.845 13.410 -28.703 217 1HB CYS 29 1HB CYS 29 40.588 11.810 -27.743 218 2HB CYS 29 2HB CYS 29 40.587 11.054 -29.330 219 H THR 30 H THR 30 39.164 14.128 -30.789 220 HA THR 30 HA THR 30 38.487 12.349 -33.002 221 HB THR 30 HB THR 30 36.925 14.872 -32.416 222 HG1 THR 30 HG1 THR 30 35.173 13.406 -32.275 223 1HG2 THR 30 1HG2 THR 30 37.609 14.035 -34.897 224 2HG2 THR 30 2HG2 THR 30 36.128 13.114 -34.646 225 3HG2 THR 30 3HG2 THR 30 36.103 14.872 -34.522 226 H CYS 31 H CYS 31 39.602 12.833 -34.810 227 HA CYS 31 HA CYS 31 41.185 15.303 -34.765 228 1HB CYS 31 1HB CYS 31 42.559 14.213 -36.526 229 2HB CYS 31 2HB CYS 31 42.541 13.324 -35.007 230 H LEU 32 H LEU 32 40.096 16.893 -35.681 231 HA LEU 32 HA LEU 32 38.262 16.468 -37.849 232 1HB LEU 32 1HB LEU 32 38.377 19.113 -37.771 233 2HB LEU 32 2HB LEU 32 37.478 18.187 -36.586 234 HG LEU 32 HG LEU 32 40.285 18.693 -35.862 235 1HD1 LEU 32 1HD1 LEU 32 38.639 20.862 -36.797 236 2HD1 LEU 32 2HD1 LEU 32 39.042 21.052 -35.090 237 3HD1 LEU 32 3HD1 LEU 32 40.327 20.863 -36.283 238 1HD2 LEU 32 1HD2 LEU 32 38.543 17.632 -34.415 239 2HD2 LEU 32 2HD2 LEU 32 39.344 19.029 -33.695 240 3HD2 LEU 32 3HD2 LEU 32 37.720 19.192 -34.365 241 H GLY 33 H GLY 33 40.280 19.291 -38.070 242 1HA GLY 33 1HA GLY 33 41.725 18.126 -40.350 243 2HA GLY 33 2HA GLY 33 40.787 19.592 -40.586 244 H ASN 34 H ASN 34 41.410 20.781 -38.058 245 HA ASN 34 HA ASN 34 43.903 21.989 -38.744 246 1HB ASN 34 1HB ASN 34 43.448 23.544 -37.082 247 2HB ASN 34 2HB ASN 34 41.828 23.004 -37.509 248 2HD2 ASN 34 1HD2 ASN 34 42.956 24.150 -35.022 249 1HD2 ASN 34 2HD2 ASN 34 42.538 23.028 -33.776 250 H GLY 35 H GLY 35 42.868 19.497 -36.540 251 1HA GLY 35 1HA GLY 35 45.442 18.428 -36.224 252 2HA GLY 35 2HA GLY 35 45.098 19.441 -34.829 253 H VAL 36 H VAL 36 44.216 18.447 -33.157 254 HA VAL 36 HA VAL 36 42.239 16.359 -33.538 255 HB VAL 36 HB VAL 36 44.922 15.824 -32.280 256 1HG1 VAL 36 1HG1 VAL 36 42.335 14.361 -31.798 257 2HG1 VAL 36 2HG1 VAL 36 43.923 13.667 -31.474 258 3HG1 VAL 36 3HG1 VAL 36 43.395 15.105 -30.601 259 1HG2 VAL 36 1HG2 VAL 36 43.444 14.915 -34.627 260 2HG2 VAL 36 2HG2 VAL 36 45.176 14.900 -34.299 261 3HG2 VAL 36 3HG2 VAL 36 44.149 13.610 -33.673 262 H SER 37 H SER 37 40.656 16.751 -32.153 263 HA SER 37 HA SER 37 41.317 18.030 -29.582 264 1HB SER 37 1HB SER 37 40.077 19.503 -31.192 265 2HB SER 37 2HB SER 37 38.736 18.359 -31.127 266 HG SER 37 HG SER 37 38.679 18.749 -28.840 267 H CYS 38 H CYS 38 40.384 17.234 -27.743 268 HA CYS 38 HA CYS 38 38.456 15.045 -27.998 269 1HB CYS 38 1HB CYS 38 40.419 14.554 -25.897 270 2HB CYS 38 2HB CYS 38 39.791 13.457 -27.112 271 H GLN 39 H GLN 39 37.057 14.800 -26.268 272 HA GLN 39 HA GLN 39 37.058 17.053 -24.384 273 1HB GLN 39 1HB GLN 39 34.866 15.268 -25.425 274 2HB GLN 39 2HB GLN 39 34.636 16.303 -24.022 275 1HG GLN 39 1HG GLN 39 35.216 17.128 -26.850 276 2HG GLN 39 2HG GLN 39 33.775 17.463 -25.890 277 2HE2 GLN 39 1HE2 GLN 39 35.428 18.017 -23.505 278 1HE2 GLN 39 2HE2 GLN 39 36.076 19.599 -23.753 279 H GLU 40 H GLU 40 37.748 16.658 -22.400 280 HA GLU 40 HA GLU 40 37.876 13.932 -21.407 281 1HB GLU 40 2HB GLU 40 39.776 15.559 -21.160 282 2HB GLU 40 1HB GLU 40 39.268 14.781 -19.667 283 1HG GLU 40 1HG GLU 40 39.642 17.471 -20.045 284 2HG GLU 40 2HG GLU 40 37.892 17.297 -20.167 285 H THR 41 H THR 41 36.693 13.103 -19.775 286 HA THR 41 HA THR 41 35.129 12.891 -18.135 287 HB THR 41 HB THR 41 35.511 15.853 -18.059 288 HG1 THR 41 HG1 THR 41 35.576 13.814 -16.072 289 1HG2 THR 41 1HG2 THR 41 33.070 15.564 -17.886 290 2HG2 THR 41 2HG2 THR 41 33.313 14.431 -16.555 291 3HG2 THR 41 3HG2 THR 41 33.783 16.121 -16.371 292 H ALA 42 H ALA 42 34.592 14.287 -21.123 293 HA ALA 42 HA ALA 42 32.795 14.297 -22.519 294 1HB ALA 42 2HB ALA 42 31.064 12.974 -20.485 295 2HB ALA 42 3HB ALA 42 31.144 12.728 -22.230 296 3HB ALA 42 1HB ALA 42 32.408 12.074 -21.187 297 H VAL 43 H VAL 43 32.339 16.439 -22.631 298 HA VAL 43 HA VAL 43 30.143 17.394 -20.944 299 HB VAL 43 HB VAL 43 31.180 19.513 -20.506 300 1HG1 VAL 43 1HG1 VAL 43 32.165 17.057 -19.510 301 2HG1 VAL 43 2HG1 VAL 43 33.539 18.152 -19.666 302 3HG1 VAL 43 3HG1 VAL 43 32.136 18.629 -18.709 303 1HG2 VAL 43 1HG2 VAL 43 32.468 19.469 -22.719 304 2HG2 VAL 43 2HG2 VAL 43 33.254 20.222 -21.331 305 3HG2 VAL 43 3HG2 VAL 43 33.714 18.594 -21.828 306 H THR 44 H THR 44 30.015 19.984 -21.900 307 HA THR 44 HA THR 44 30.155 20.119 -24.740 308 HB THR 44 HB THR 44 27.345 20.430 -24.261 309 HG1 THR 44 HG1 THR 44 27.539 18.861 -22.648 310 1HG2 THR 44 1HG2 THR 44 28.754 19.901 -26.385 311 2HG2 THR 44 2HG2 THR 44 28.563 18.223 -25.877 312 3HG2 THR 44 3HG2 THR 44 27.141 19.205 -26.222 313 H GLN 45 H GLN 45 29.862 22.192 -25.484 314 HA GLN 45 HA GLN 45 29.010 24.196 -23.504 315 1HB GLN 45 1HB GLN 45 30.848 25.424 -25.259 316 2HB GLN 45 2HB GLN 45 31.047 25.101 -23.542 317 1HG GLN 45 1HG GLN 45 31.593 22.905 -25.470 318 2HG GLN 45 2HG GLN 45 32.765 24.213 -25.321 319 2HE2 GLN 45 1HE2 GLN 45 32.897 21.347 -24.581 320 1HE2 GLN 45 2HE2 GLN 45 33.343 21.329 -22.912 321 H THR 46 H THR 46 26.935 23.940 -24.621 322 HA THR 46 HA THR 46 26.811 25.048 -27.320 323 HB THR 46 HB THR 46 24.791 24.037 -27.576 324 HG1 THR 46 HG1 THR 46 24.076 23.953 -24.866 325 1HG2 THR 46 1HG2 THR 46 26.576 22.466 -26.277 326 2HG2 THR 46 2HG2 THR 46 25.185 22.340 -25.200 327 3HG2 THR 46 3HG2 THR 46 25.028 21.893 -26.900 328 H TYR 47 H TYR 47 25.395 26.809 -27.842 329 HA TYR 47 HA TYR 47 24.901 28.613 -25.565 330 1HB TYR 47 1HB TYR 47 25.137 30.415 -27.456 331 2HB TYR 47 2HB TYR 47 26.571 29.739 -26.693 332 HD1 TYR 47 HD1 TYR 47 24.455 29.630 -29.718 333 HD2 TYR 47 HD2 TYR 47 28.142 28.460 -27.944 334 HE1 TYR 47 HE1 TYR 47 25.295 28.951 -31.926 335 HE2 TYR 47 HE2 TYR 47 28.992 27.776 -30.148 336 HH TYR 47 HH TYR 47 28.613 27.794 -32.356 337 H GLY 48 H GLY 48 23.743 27.429 -28.666 338 1HA GLY 48 1HA GLY 48 21.025 27.990 -27.878 339 2HA GLY 48 2HA GLY 48 21.587 28.972 -29.221 340 H GLY 49 H GLY 49 21.865 28.048 -31.237 341 1HA GLY 49 1HA GLY 49 21.612 26.500 -32.920 342 2HA GLY 49 2HA GLY 49 21.795 25.245 -31.703 343 H ASN 50 H ASN 50 20.136 23.889 -31.806 344 HA ASN 50 HA ASN 50 17.490 24.915 -32.526 345 1HB ASN 50 1HB ASN 50 18.891 22.568 -33.199 346 2HB ASN 50 2HB ASN 50 17.575 22.055 -32.148 347 2HD2 ASN 50 1HD2 ASN 50 15.858 21.462 -33.233 348 1HD2 ASN 50 2HD2 ASN 50 15.283 22.161 -34.706 349 H SER 51 H SER 51 19.299 23.853 -29.836 350 HA SER 51 HA SER 51 16.907 23.271 -28.257 351 1HB SER 51 1HB SER 51 19.744 22.539 -28.089 352 2HB SER 51 2HB SER 51 19.032 22.989 -26.538 353 HG SER 51 HG SER 51 17.780 21.274 -26.599 354 H ASN 52 H ASN 52 19.001 25.826 -28.962 355 HA ASN 52 HA ASN 52 19.127 27.964 -28.204 356 1HB ASN 52 1HB ASN 52 16.715 27.962 -28.076 357 2HB ASN 52 2HB ASN 52 16.755 27.099 -26.543 358 2HD2 ASN 52 1HD2 ASN 52 17.580 30.126 -28.124 359 1HD2 ASN 52 2HD2 ASN 52 17.502 31.104 -26.702 360 H GLY 53 H GLY 53 20.785 25.969 -27.083 361 1HA GLY 53 1HA GLY 53 22.457 26.051 -25.473 362 2HA GLY 53 2HA GLY 53 21.590 27.355 -24.678 363 H GLU 54 H GLU 54 21.998 23.910 -24.938 364 HA GLU 54 HA GLU 54 21.014 23.556 -22.266 365 1HB GLU 54 1HB GLU 54 18.949 22.818 -22.686 366 2HB GLU 54 2HB GLU 54 19.172 23.252 -24.373 367 1HG GLU 54 1HG GLU 54 20.022 21.013 -24.840 368 2HG GLU 54 2HG GLU 54 19.812 20.578 -23.145 369 HA PRO 55 HA PRO 55 24.436 20.757 -22.192 370 1HB PRO 55 2HB PRO 55 24.232 19.629 -20.172 371 2HB PRO 55 1HB PRO 55 22.512 19.300 -20.413 372 1HG PRO 55 1HG PRO 55 22.372 21.093 -18.938 373 2HG PRO 55 2HG PRO 55 23.864 21.829 -19.551 374 1HD PRO 55 1HD PRO 55 21.096 22.038 -20.583 375 2HD PRO 55 2HD PRO 55 22.455 23.167 -20.752 376 H CYS 56 H CYS 56 24.446 19.849 -24.233 377 HA CYS 56 HA CYS 56 22.528 18.253 -25.406 378 1HB CYS 56 1HB CYS 56 25.506 18.415 -25.726 379 2HB CYS 56 2HB CYS 56 24.583 17.211 -26.621 380 H VAL 57 H VAL 57 22.535 15.915 -25.813 381 HA VAL 57 HA VAL 57 23.225 14.461 -23.354 382 HB VAL 57 HB VAL 57 20.814 14.596 -24.000 383 1HG1 VAL 57 1HG1 VAL 57 21.628 14.157 -26.527 384 2HG1 VAL 57 2HG1 VAL 57 21.153 12.522 -26.064 385 3HG1 VAL 57 3HG1 VAL 57 19.989 13.843 -25.957 386 1HG2 VAL 57 1HG2 VAL 57 21.686 12.812 -22.556 387 2HG2 VAL 57 2HG2 VAL 57 20.339 12.254 -23.548 388 3HG2 VAL 57 3HG2 VAL 57 21.993 11.818 -23.981 389 H LEU 58 H LEU 58 25.458 14.303 -24.349 390 HA LEU 58 HA LEU 58 25.575 12.132 -26.330 391 1HB LEU 58 1HB LEU 58 28.137 12.920 -26.179 392 2HB LEU 58 2HB LEU 58 26.976 13.602 -27.301 393 HG LEU 58 HG LEU 58 28.351 15.306 -26.157 394 1HD1 LEU 58 1HD1 LEU 58 25.507 15.213 -26.410 395 2HD1 LEU 58 2HD1 LEU 58 25.957 16.229 -25.040 396 3HD1 LEU 58 3HD1 LEU 58 26.608 16.570 -26.644 397 1HD2 LEU 58 1HD2 LEU 58 27.826 13.763 -23.888 398 2HD2 LEU 58 2HD2 LEU 58 28.676 15.307 -23.957 399 3HD2 LEU 58 3HD2 LEU 58 26.940 15.269 -23.646 400 HA PRO 59 HA PRO 59 27.844 11.263 -27.025 401 1HB PRO 59 2HB PRO 59 29.198 9.480 -27.329 402 2HB PRO 59 1HB PRO 59 27.907 8.349 -26.925 403 1HG PRO 59 1HG PRO 59 29.197 8.026 -25.044 404 2HG PRO 59 2HG PRO 59 29.925 9.639 -25.154 405 1HD PRO 59 2HD PRO 59 28.450 10.010 -23.403 406 2HD PRO 59 1HD PRO 59 27.276 8.826 -24.018 407 H PHE 60 H PHE 60 26.507 11.145 -28.729 408 HA PHE 60 HA PHE 60 24.005 9.619 -28.401 409 1HB PHE 60 1HB PHE 60 23.124 11.337 -30.121 410 2HB PHE 60 2HB PHE 60 23.335 11.865 -28.455 411 HD1 PHE 60 HD1 PHE 60 24.578 12.133 -31.878 412 HD2 PHE 60 HD2 PHE 60 25.073 13.429 -27.856 413 HE1 PHE 60 HE1 PHE 60 26.020 13.970 -32.652 414 HE2 PHE 60 HE2 PHE 60 26.516 15.269 -28.622 415 HZ PHE 60 HZ PHE 60 26.991 15.541 -31.023 416 H THR 61 H THR 61 22.972 9.217 -30.682 417 HA THR 61 HA THR 61 25.114 8.242 -32.458 418 HB THR 61 HB THR 61 22.518 6.877 -32.671 419 HG1 THR 61 HG1 THR 61 23.366 5.576 -30.706 420 1HG2 THR 61 1HG2 THR 61 24.541 6.175 -33.883 421 2HG2 THR 61 2HG2 THR 61 25.351 5.879 -32.344 422 3HG2 THR 61 3HG2 THR 61 23.953 4.908 -32.806 423 H TYR 62 H TYR 62 25.151 9.201 -34.366 424 HA TYR 62 HA TYR 62 22.620 9.956 -35.634 425 1HB TYR 62 1HB TYR 62 23.375 12.024 -34.681 426 2HB TYR 62 2HB TYR 62 25.015 11.761 -35.265 427 HD1 TYR 62 HD1 TYR 62 21.536 12.061 -36.600 428 HD2 TYR 62 HD2 TYR 62 25.672 12.874 -37.177 429 HE1 TYR 62 HE1 TYR 62 20.999 13.309 -38.649 430 HE2 TYR 62 HE2 TYR 62 25.146 14.125 -39.227 431 HH TYR 62 HH TYR 62 21.793 14.479 -40.355 432 H ASN 63 H ASN 63 22.520 9.430 -37.734 433 HA ASN 63 HA ASN 63 23.113 8.695 -39.804 434 1HB ASN 63 1HB ASN 63 25.058 10.573 -39.156 435 2HB ASN 63 2HB ASN 63 25.983 9.163 -39.667 436 2HD2 ASN 63 1HD2 ASN 63 24.291 11.868 -40.668 437 1HD2 ASN 63 2HD2 ASN 63 24.183 11.499 -42.353 438 H GLY 64 H GLY 64 23.849 7.263 -37.064 439 1HA GLY 64 1HA GLY 64 24.046 4.874 -36.972 440 2HA GLY 64 2HA GLY 64 25.028 4.937 -38.427 441 H ARG 65 H ARG 65 26.282 7.399 -36.877 442 HA ARG 65 HA ARG 65 28.313 5.742 -35.560 443 1HB ARG 65 1HB ARG 65 29.785 7.699 -35.765 444 2HB ARG 65 2HB ARG 65 29.147 7.206 -37.325 445 1HG ARG 65 1HG ARG 65 27.457 9.186 -36.059 446 2HG ARG 65 2HG ARG 65 29.116 9.751 -36.241 447 1HD ARG 65 1HD ARG 65 27.262 9.976 -38.164 448 2HD ARG 65 2HD ARG 65 28.988 9.825 -38.493 449 HE ARG 65 HE ARG 65 27.570 7.322 -38.324 450 1HH1 ARG 65 1HH1 ARG 65 28.642 9.908 -40.392 451 2HH1 ARG 65 2HH1 ARG 65 28.567 8.957 -41.838 452 1HH2 ARG 65 1HH2 ARG 65 27.468 6.059 -40.218 453 2HH2 ARG 65 2HH2 ARG 65 27.898 6.767 -41.739 454 H THR 66 H THR 66 29.496 7.629 -33.926 455 HA THR 66 HA THR 66 27.372 8.522 -32.116 456 HB THR 66 HB THR 66 29.776 6.960 -31.159 457 HG1 THR 66 HG1 THR 66 27.055 6.184 -31.502 458 1HG2 THR 66 1HG2 THR 66 28.844 8.660 -29.595 459 2HG2 THR 66 2HG2 THR 66 27.294 7.820 -29.672 460 3HG2 THR 66 3HG2 THR 66 28.708 7.005 -29.001 461 H PHE 67 H PHE 67 28.031 10.140 -30.590 462 HA PHE 67 HA PHE 67 30.642 11.367 -31.056 463 1HB PHE 67 2HB PHE 67 29.796 13.505 -31.580 464 2HB PHE 67 1HB PHE 67 28.164 13.076 -31.077 465 HD1 PHE 67 HD1 PHE 67 27.010 11.196 -32.455 466 HD2 PHE 67 HD2 PHE 67 30.332 13.477 -33.821 467 HE1 PHE 67 HE1 PHE 67 26.433 10.635 -34.779 468 HE2 PHE 67 HE2 PHE 67 29.762 12.921 -36.149 469 HZ PHE 67 HZ PHE 67 27.810 11.498 -36.631 470 H TYR 68 H TYR 68 31.496 11.342 -29.085 471 HA TYR 68 HA TYR 68 29.989 11.420 -26.679 472 1HB TYR 68 1HB TYR 68 32.887 11.481 -27.402 473 2HB TYR 68 2HB TYR 68 32.437 12.009 -25.786 474 HD1 TYR 68 HD1 TYR 68 30.963 9.281 -27.848 475 HD2 TYR 68 HD2 TYR 68 33.213 10.315 -24.391 476 HE1 TYR 68 HE1 TYR 68 30.890 6.939 -27.108 477 HE2 TYR 68 HE2 TYR 68 33.153 7.977 -23.642 478 HH TYR 68 HH TYR 68 31.126 5.620 -25.145 479 H SER 69 H SER 69 30.924 13.827 -28.840 480 HA SER 69 HA SER 69 30.028 15.891 -27.004 481 1HB SER 69 1HB SER 69 32.312 16.975 -28.333 482 2HB SER 69 2HB SER 69 32.039 16.788 -26.600 483 HG SER 69 HG SER 69 33.341 15.054 -28.395 484 H CYS 70 H CYS 70 30.706 18.104 -28.545 485 HA CYS 70 HA CYS 70 28.670 18.106 -30.469 486 1HB CYS 70 1HB CYS 70 31.012 19.994 -30.150 487 2HB CYS 70 2HB CYS 70 29.579 20.305 -31.120 488 H THR 71 H THR 71 29.115 18.838 -32.805 489 HA THR 71 HA THR 71 31.506 17.979 -34.081 490 HB THR 71 HB THR 71 30.601 15.750 -33.580 491 HG1 THR 71 HG1 THR 71 31.690 15.628 -35.443 492 1HG2 THR 71 1HG2 THR 71 28.155 16.958 -34.692 493 2HG2 THR 71 2HG2 THR 71 28.494 15.312 -35.229 494 3HG2 THR 71 3HG2 THR 71 28.344 15.666 -33.508 495 H THR 72 H THR 72 31.132 17.816 -36.538 496 HA THR 72 HA THR 72 28.970 19.617 -37.381 497 HB THR 72 HB THR 72 30.699 20.569 -39.052 498 HG1 THR 72 HG1 THR 72 32.713 20.000 -38.745 499 1HG2 THR 72 1HG2 THR 72 29.679 21.556 -36.807 500 2HG2 THR 72 2HG2 THR 72 31.364 21.455 -36.294 501 3HG2 THR 72 3HG2 THR 72 30.929 22.407 -37.714 502 H GLU 73 H GLU 73 28.244 17.288 -37.857 503 HA GLU 73 HA GLU 73 29.278 16.435 -40.476 504 1HB GLU 73 1HB GLU 73 28.366 14.958 -38.096 505 2HB GLU 73 2HB GLU 73 27.786 14.324 -39.631 506 1HG GLU 73 1HG GLU 73 30.671 14.814 -38.929 507 2HG GLU 73 2HG GLU 73 29.857 13.250 -38.892 508 H GLY 74 H GLY 74 26.230 16.196 -38.654 509 1HA GLY 74 1HA GLY 74 24.717 16.321 -41.125 510 2HA GLY 74 2HA GLY 74 24.065 16.076 -39.516 511 H ARG 75 H ARG 75 25.907 18.633 -41.160 512 HA ARG 75 HA ARG 75 23.769 20.528 -40.530 513 1HB ARG 75 1HB ARG 75 25.625 22.180 -39.852 514 2HB ARG 75 2HB ARG 75 25.139 20.959 -38.684 515 1HG ARG 75 1HG ARG 75 27.109 19.840 -38.823 516 2HG ARG 75 2HG ARG 75 27.382 20.299 -40.502 517 1HD ARG 75 1HD ARG 75 27.402 22.494 -38.532 518 2HD ARG 75 2HD ARG 75 28.734 21.344 -38.421 519 HE ARG 75 HE ARG 75 28.510 23.385 -40.298 520 1HH1 ARG 75 1HH1 ARG 75 29.191 19.973 -40.226 521 2HH1 ARG 75 2HH1 ARG 75 30.181 20.009 -41.645 522 1HH2 ARG 75 1HH2 ARG 75 29.814 23.446 -42.166 523 2HH2 ARG 75 2HH2 ARG 75 30.537 21.983 -42.748 524 H GLN 76 H GLN 76 24.116 22.647 -41.648 525 HA GLN 76 HA GLN 76 25.731 22.399 -44.087 526 1HB GLN 76 1HB GLN 76 22.930 23.501 -44.146 527 2HB GLN 76 2HB GLN 76 23.950 23.050 -45.505 528 1HG GLN 76 1HG GLN 76 23.815 20.670 -44.524 529 2HG GLN 76 2HG GLN 76 22.434 21.294 -43.622 530 2HE2 GLN 76 1HE2 GLN 76 20.707 22.294 -44.897 531 1HE2 GLN 76 2HE2 GLN 76 20.353 21.647 -46.459 532 H ASP 77 H ASP 77 25.928 23.925 -41.524 533 HA ASP 77 HA ASP 77 25.944 26.641 -42.670 534 1HB ASP 77 1HB ASP 77 26.015 27.071 -39.975 535 2HB ASP 77 2HB ASP 77 24.553 27.105 -40.955 536 H GLY 78 H GLY 78 27.421 25.057 -39.857 537 1HA GLY 78 1HA GLY 78 29.930 24.597 -40.329 538 2HA GLY 78 2HA GLY 78 29.971 26.334 -40.577 539 H HIS 79 H HIS 79 27.887 24.992 -38.128 540 HA HIS 79 HA HIS 79 29.771 25.928 -36.068 541 1HB HIS 79 1HB HIS 79 26.800 25.951 -35.650 542 2HB HIS 79 2HB HIS 79 28.041 26.906 -34.845 543 HD1 HIS 79 HD1 HIS 79 25.481 27.191 -37.325 544 HD2 HIS 79 HD2 HIS 79 29.244 28.865 -36.779 545 HE1 HIS 79 HE1 HIS 79 25.518 29.246 -38.773 546 HE2 HIS 79 HE2 HIS 79 27.837 30.191 -38.496 547 H LEU 80 H LEU 80 30.358 24.454 -34.599 548 HA LEU 80 HA LEU 80 29.776 21.780 -34.711 549 1HB LEU 80 1HB LEU 80 30.671 23.564 -32.476 550 2HB LEU 80 2HB LEU 80 30.339 21.875 -32.159 551 HG LEU 80 HG LEU 80 32.048 21.193 -33.742 552 1HD1 LEU 80 1HD1 LEU 80 31.700 23.158 -35.268 553 2HD1 LEU 80 2HD1 LEU 80 32.676 24.107 -34.146 554 3HD1 LEU 80 3HD1 LEU 80 33.382 22.718 -34.973 555 1HD2 LEU 80 1HD2 LEU 80 32.521 22.688 -31.352 556 2HD2 LEU 80 2HD2 LEU 80 33.424 21.324 -32.007 557 3HD2 LEU 80 3HD2 LEU 80 33.838 22.968 -32.490 558 H TRP 81 H TRP 81 28.182 20.452 -33.981 559 HA TRP 81 HA TRP 81 26.111 21.584 -32.241 560 1HB TRP 81 1HB TRP 81 24.322 20.853 -33.661 561 2HB TRP 81 2HB TRP 81 25.421 21.815 -34.644 562 HD1 TRP 81 HD1 TRP 81 26.708 20.584 -36.613 563 HE1 TRP 81 HE1 TRP 81 26.414 18.277 -37.714 564 HE3 TRP 81 HE3 TRP 81 23.672 18.396 -33.127 565 HZ2 TRP 81 HZ2 TRP 81 25.076 15.851 -37.178 566 HZ3 TRP 81 HZ3 TRP 81 22.929 16.079 -33.498 567 HH2 TRP 81 HH2 TRP 81 23.616 14.835 -35.483 568 H CYS 82 H CYS 82 24.758 20.005 -31.214 569 HA CYS 82 HA CYS 82 25.638 17.228 -31.328 570 1HB CYS 82 1HB CYS 82 25.594 17.257 -28.732 571 2HB CYS 82 2HB CYS 82 27.029 17.845 -29.561 572 H SER 83 H SER 83 24.195 16.162 -29.276 573 HA SER 83 HA SER 83 21.443 16.856 -30.056 574 1HB SER 83 1HB SER 83 21.840 14.605 -30.654 575 2HB SER 83 2HB SER 83 22.694 14.269 -29.150 576 HG SER 83 HG SER 83 20.399 13.538 -29.400 577 H THR 84 H THR 84 19.769 16.732 -28.430 578 HA THR 84 HA THR 84 20.775 17.252 -25.710 579 HB THR 84 HB THR 84 19.123 18.920 -25.353 580 HG1 THR 84 HG1 THR 84 17.953 17.776 -27.619 581 1HG2 THR 84 1HG2 THR 84 21.144 19.331 -27.042 582 2HG2 THR 84 2HG2 THR 84 19.809 19.659 -28.147 583 3HG2 THR 84 3HG2 THR 84 19.971 20.591 -26.657 584 H THR 85 H THR 85 18.730 15.398 -27.681 585 HA THR 85 HA THR 85 17.379 14.298 -25.303 586 HB THR 85 HB THR 85 16.225 14.497 -28.093 587 HG1 THR 85 HG1 THR 85 16.322 16.325 -26.237 588 1HG2 THR 85 1HG2 THR 85 15.488 12.941 -25.724 589 2HG2 THR 85 2HG2 THR 85 14.167 13.904 -26.386 590 3HG2 THR 85 3HG2 THR 85 15.006 12.737 -27.408 591 H SER 86 H SER 86 17.822 12.222 -24.931 592 HA SER 86 HA SER 86 19.629 10.670 -26.212 593 1HB SER 86 1HB SER 86 17.694 10.254 -24.201 594 2HB SER 86 2HB SER 86 17.485 8.941 -25.360 595 HG SER 86 HG SER 86 19.640 9.535 -23.704 596 H ASN 87 H ASN 87 16.296 11.174 -27.143 597 HA ASN 87 HA ASN 87 16.653 9.340 -29.416 598 1HB ASN 87 1HB ASN 87 14.549 9.567 -27.622 599 2HB ASN 87 2HB ASN 87 13.964 10.408 -29.053 600 2HD2 ASN 87 1HD2 ASN 87 14.610 9.145 -31.145 601 1HD2 ASN 87 2HD2 ASN 87 14.195 7.469 -31.122 602 H TYR 88 H TYR 88 18.032 11.245 -30.206 603 HA TYR 88 HA TYR 88 16.681 13.594 -31.108 604 1HB TYR 88 1HB TYR 88 18.952 13.960 -30.794 605 2HB TYR 88 2HB TYR 88 19.407 12.417 -31.506 606 HD1 TYR 88 HD1 TYR 88 19.025 12.166 -34.057 607 HD2 TYR 88 HD2 TYR 88 19.127 15.914 -32.047 608 HE1 TYR 88 HE1 TYR 88 19.516 13.288 -36.189 609 HE2 TYR 88 HE2 TYR 88 19.618 17.047 -34.174 610 HH TYR 88 HH TYR 88 19.064 16.248 -36.856 611 H GLU 89 H GLU 89 16.775 10.420 -32.222 612 HA GLU 89 HA GLU 89 16.654 10.884 -35.026 613 1HB GLU 89 1HB GLU 89 15.906 8.542 -33.287 614 2HB GLU 89 2HB GLU 89 15.663 8.522 -35.028 615 1HG GLU 89 1HG GLU 89 18.100 8.996 -35.291 616 2HG GLU 89 2HG GLU 89 18.269 8.776 -33.549 617 H GLN 90 H GLN 90 14.337 10.968 -32.446 618 HA GLN 90 HA GLN 90 12.181 11.349 -34.417 619 1HB GLN 90 2HB GLN 90 12.001 9.375 -32.828 620 2HB GLN 90 1HB GLN 90 10.619 10.462 -32.886 621 1HG GLN 90 2HG GLN 90 12.516 11.289 -30.885 622 2HG GLN 90 1HG GLN 90 12.002 9.622 -30.633 623 2HE2 GLN 90 1HE2 GLN 90 9.846 9.183 -30.188 624 1HE2 GLN 90 2HE2 GLN 90 8.742 10.412 -29.684 625 H ASP 91 H ASP 91 13.736 12.581 -31.533 626 HA ASP 91 HA ASP 91 11.858 14.705 -31.115 627 1HB ASP 91 1HB ASP 91 14.346 13.761 -29.864 628 2HB ASP 91 2HB ASP 91 14.130 15.507 -29.813 629 H GLN 92 H GLN 92 15.202 14.580 -32.343 630 HA GLN 92 HA GLN 92 16.238 15.842 -33.945 631 1HB GLN 92 1HB GLN 92 13.731 15.938 -34.825 632 2HB GLN 92 2HB GLN 92 13.882 17.621 -34.341 633 1HG GLN 92 2HG GLN 92 16.068 17.559 -35.733 634 2HG GLN 92 1HG GLN 92 14.510 17.699 -36.547 635 2HE2 GLN 92 1HE2 GLN 92 13.530 15.282 -36.728 636 1HE2 GLN 92 2HE2 GLN 92 14.587 14.205 -37.567 637 H LYS 93 H LYS 93 16.154 16.481 -31.109 638 HA LYS 93 HA LYS 93 16.317 19.406 -31.103 639 1HB LYS 93 1HB LYS 93 16.180 17.338 -28.920 640 2HB LYS 93 2HB LYS 93 16.668 18.993 -28.582 641 1HG LYS 93 1HG LYS 93 14.181 18.257 -28.310 642 2HG LYS 93 2HG LYS 93 14.581 19.842 -28.974 643 1HD LYS 93 1HD LYS 93 14.125 19.149 -31.178 644 2HD LYS 93 2HD LYS 93 14.141 17.442 -30.730 645 1HE LYS 93 2HE LYS 93 12.143 18.027 -29.228 646 2HE LYS 93 1HE LYS 93 11.875 17.929 -30.968 647 1HZ LYS 93 1HZ LYS 93 12.623 20.551 -30.338 648 2HZ LYS 93 2HZ LYS 93 11.141 20.000 -30.938 649 3HZ LYS 93 3HZ LYS 93 11.397 20.095 -29.267 650 H TYR 94 H TYR 94 18.234 20.104 -31.813 651 HA TYR 94 HA TYR 94 20.652 18.880 -30.660 652 1HB TYR 94 1HB TYR 94 21.814 19.105 -32.690 653 2HB TYR 94 2HB TYR 94 20.231 18.501 -33.167 654 HD1 TYR 94 HD1 TYR 94 22.202 21.642 -32.840 655 HD2 TYR 94 HD2 TYR 94 18.961 19.657 -34.751 656 HE1 TYR 94 HE1 TYR 94 21.942 23.552 -34.368 657 HE2 TYR 94 HE2 TYR 94 18.691 21.561 -36.285 658 HH TYR 94 HH TYR 94 20.731 24.452 -36.000 659 H SER 95 H SER 95 22.494 20.320 -30.451 660 HA SER 95 HA SER 95 21.716 23.147 -30.168 661 1HB SER 95 1HB SER 95 23.840 22.170 -28.367 662 2HB SER 95 2HB SER 95 22.488 23.253 -28.035 663 HG SER 95 HG SER 95 21.635 21.587 -27.092 664 H PHE 96 H PHE 96 24.084 24.294 -29.574 665 HA PHE 96 HA PHE 96 25.770 23.596 -31.887 666 1HB PHE 96 1HB PHE 96 24.872 26.221 -30.794 667 2HB PHE 96 2HB PHE 96 26.465 26.132 -31.536 668 HD1 PHE 96 HD1 PHE 96 25.857 24.113 -33.674 669 HD2 PHE 96 HD2 PHE 96 23.722 27.544 -32.342 670 HE1 PHE 96 HE1 PHE 96 24.829 24.331 -35.897 671 HE2 PHE 96 HE2 PHE 96 22.689 27.768 -34.563 672 HZ PHE 96 HZ PHE 96 23.243 26.160 -36.344 673 H CYS 97 H CYS 97 27.987 25.048 -31.433 674 HA CYS 97 HA CYS 97 28.935 24.643 -28.729 675 1HB CYS 97 1HB CYS 97 29.290 22.597 -30.650 676 2HB CYS 97 2HB CYS 97 30.859 23.366 -30.432 677 H THR 98 H THR 98 30.345 26.189 -28.223 678 HA THR 98 HA THR 98 31.192 28.066 -30.223 679 HB THR 98 HB THR 98 30.727 29.148 -28.229 680 HG1 THR 98 HG1 THR 98 32.705 29.972 -27.550 681 1HG2 THR 98 1HG2 THR 98 32.106 26.837 -26.886 682 2HG2 THR 98 2HG2 THR 98 31.769 28.341 -26.029 683 3HG2 THR 98 3HG2 THR 98 30.443 27.391 -26.696 684 H ASP 99 H ASP 99 32.350 25.114 -29.491 685 HA ASP 99 HA ASP 99 34.297 24.024 -29.937 686 1HB ASP 99 1HB ASP 99 35.703 26.366 -31.059 687 2HB ASP 99 2HB ASP 99 35.484 24.753 -31.731 688 H HIS 100 H HIS 100 35.305 27.376 -29.230 689 HA HIS 100 HA HIS 100 36.313 26.727 -26.656 690 1HB HIS 100 1HB HIS 100 38.015 25.935 -28.651 691 2HB HIS 100 2HB HIS 100 38.614 27.549 -28.284 692 HD1 HIS 100 HD1 HIS 100 38.295 27.617 -25.258 693 HD2 HIS 100 HD2 HIS 100 39.768 24.333 -27.336 694 HE1 HIS 100 HE1 HIS 100 39.657 26.321 -23.589 695 HE2 HIS 100 HE2 HIS 100 40.479 24.299 -24.850 696 H THR 101 H THR 101 37.326 28.893 -29.289 697 HA THR 101 HA THR 101 36.628 31.171 -27.552 698 HB THR 101 HB THR 101 38.406 32.404 -28.978 699 HG1 THR 101 HG1 THR 101 38.751 30.659 -30.451 700 1HG2 THR 101 1HG2 THR 101 38.467 31.454 -26.500 701 2HG2 THR 101 2HG2 THR 101 39.707 30.410 -27.196 702 3HG2 THR 101 3HG2 THR 101 39.893 32.163 -27.257 No H/Q in entry = 702 Start of MODEL 19 1 H1 TYR 1 H1 TYR 1 49.952 6.367 -43.600 2 H2 TYR 1 H2 TYR 1 51.399 5.943 -42.834 3 H3 TYR 1 H3 TYR 1 50.689 4.883 -43.945 4 HA TYR 1 HA TYR 1 50.177 3.985 -41.866 5 1HB TYR 1 1HB TYR 1 50.068 6.840 -41.169 6 2HB TYR 1 2HB TYR 1 48.835 5.863 -40.379 7 HD1 TYR 1 HD1 TYR 1 52.488 5.581 -41.156 8 HD2 TYR 1 HD2 TYR 1 49.385 5.084 -38.287 9 HE1 TYR 1 HE1 TYR 1 54.146 4.839 -39.498 10 HE2 TYR 1 HE2 TYR 1 51.035 4.342 -36.621 11 HH TYR 1 HH TYR 1 54.502 4.309 -37.358 12 H GLY 2 H GLY 2 48.376 2.796 -41.946 13 1HA GLY 2 1HA GLY 2 46.054 3.913 -43.357 14 2HA GLY 2 2HA GLY 2 46.395 2.203 -43.140 15 H HIS 3 H HIS 3 46.507 1.583 -40.695 16 HA HIS 3 HA HIS 3 43.966 2.425 -39.556 17 1HB HIS 3 1HB HIS 3 45.796 0.105 -39.202 18 2HB HIS 3 2HB HIS 3 44.792 0.558 -37.829 19 HD1 HIS 3 HD1 HIS 3 44.064 0.205 -41.557 20 HD2 HIS 3 HD2 HIS 3 42.601 -1.005 -37.861 21 HE1 HIS 3 HE1 HIS 3 42.012 -1.160 -42.060 22 HE2 HIS 3 HE2 HIS 3 41.089 -1.796 -39.804 23 H CYS 4 H CYS 4 43.820 2.812 -37.196 24 HA CYS 4 HA CYS 4 46.143 4.379 -36.278 25 1HB CYS 4 1HB CYS 4 44.118 5.260 -34.699 26 2HB CYS 4 2HB CYS 4 44.566 6.000 -36.228 27 H VAL 5 H VAL 5 47.222 3.652 -34.565 28 HA VAL 5 HA VAL 5 45.855 1.771 -32.751 29 HB VAL 5 HB VAL 5 48.755 1.757 -33.596 30 1HG1 VAL 5 1HG1 VAL 5 47.524 0.794 -31.207 31 2HG1 VAL 5 2HG1 VAL 5 48.073 -0.579 -32.169 32 3HG1 VAL 5 3HG1 VAL 5 49.212 0.686 -31.707 33 1HG2 VAL 5 1HG2 VAL 5 46.862 0.825 -35.115 34 2HG2 VAL 5 2HG2 VAL 5 48.311 -0.142 -34.840 35 3HG2 VAL 5 3HG2 VAL 5 46.830 -0.502 -33.955 36 H THR 6 H THR 6 46.040 2.089 -30.592 37 HA THR 6 HA THR 6 46.795 4.644 -29.643 38 HB THR 6 HB THR 6 46.425 3.684 -27.373 39 HG1 THR 6 HG1 THR 6 45.674 1.286 -28.693 40 1HG2 THR 6 1HG2 THR 6 44.334 3.128 -29.476 41 2HG2 THR 6 2HG2 THR 6 44.019 3.096 -27.741 42 3HG2 THR 6 3HG2 THR 6 44.524 4.597 -28.517 43 H ASP 7 H ASP 7 48.162 1.455 -28.799 44 HA ASP 7 HA ASP 7 50.850 2.452 -29.010 45 1HB ASP 7 2HB ASP 7 51.502 2.287 -26.734 46 2HB ASP 7 1HB ASP 7 49.982 1.525 -26.276 47 H SER 8 H SER 8 48.764 -0.101 -27.726 48 HA SER 8 HA SER 8 49.776 -2.136 -29.326 49 1HB SER 8 1HB SER 8 51.823 -1.618 -27.838 50 2HB SER 8 2HB SER 8 50.914 -2.410 -26.552 51 HG SER 8 HG SER 8 51.618 -4.201 -27.371 52 H GLY 9 H GLY 9 47.263 -1.577 -28.722 53 1HA GLY 9 1HA GLY 9 46.363 -3.984 -27.417 54 2HA GLY 9 2HA GLY 9 45.976 -2.523 -26.523 55 H VAL 10 H VAL 10 45.535 -0.863 -28.821 56 HA VAL 10 HA VAL 10 43.053 -2.073 -29.854 57 HB VAL 10 HB VAL 10 43.266 0.882 -29.752 58 1HG1 VAL 10 1HG1 VAL 10 41.315 -0.692 -30.537 59 2HG1 VAL 10 2HG1 VAL 10 40.940 -0.725 -28.814 60 3HG1 VAL 10 3HG1 VAL 10 40.975 0.811 -29.679 61 1HG2 VAL 10 1HG2 VAL 10 44.170 0.252 -27.572 62 2HG2 VAL 10 2HG2 VAL 10 42.571 0.979 -27.412 63 3HG2 VAL 10 3HG2 VAL 10 42.762 -0.769 -27.278 64 H VAL 11 H VAL 11 42.754 -2.088 -32.005 65 HA VAL 11 HA VAL 11 44.709 -0.628 -33.660 66 HB VAL 11 HB VAL 11 43.247 -3.100 -34.556 67 1HG1 VAL 11 1HG1 VAL 11 45.081 -1.251 -35.744 68 2HG1 VAL 11 2HG1 VAL 11 45.809 -2.857 -35.690 69 3HG1 VAL 11 3HG1 VAL 11 44.249 -2.622 -36.479 70 1HG2 VAL 11 1HG2 VAL 11 44.525 -3.608 -32.498 71 2HG2 VAL 11 2HG2 VAL 11 45.151 -4.438 -33.923 72 3HG2 VAL 11 3HG2 VAL 11 45.984 -3.017 -33.293 73 H TYR 12 H TYR 12 43.279 1.201 -33.664 74 HA TYR 12 HA TYR 12 40.633 1.041 -34.705 75 1HB TYR 12 1HB TYR 12 42.523 3.376 -34.363 76 2HB TYR 12 2HB TYR 12 40.852 3.542 -34.888 77 HD1 TYR 12 HD1 TYR 12 39.021 2.782 -33.306 78 HD2 TYR 12 HD2 TYR 12 43.072 3.247 -32.099 79 HE1 TYR 12 HE1 TYR 12 38.300 2.883 -30.955 80 HE2 TYR 12 HE2 TYR 12 42.365 3.348 -29.742 81 HH TYR 12 HH TYR 12 40.660 3.131 -28.319 82 H SER 13 H SER 13 40.409 2.977 -36.594 83 HA SER 13 HA SER 13 42.190 2.253 -38.797 84 1HB SER 13 1HB SER 13 39.510 1.297 -38.523 85 2HB SER 13 2HB SER 13 39.567 2.428 -39.875 86 HG SER 13 HG SER 13 40.096 0.128 -40.301 87 H VAL 14 H VAL 14 42.245 3.781 -40.503 88 HA VAL 14 HA VAL 14 42.286 6.425 -39.809 89 HB VAL 14 HB VAL 14 43.359 5.795 -41.823 90 1HG1 VAL 14 1HG1 VAL 14 40.657 4.793 -42.660 91 2HG1 VAL 14 2HG1 VAL 14 41.928 5.124 -43.838 92 3HG1 VAL 14 3HG1 VAL 14 42.185 3.917 -42.578 93 1HG2 VAL 14 1HG2 VAL 14 41.910 8.034 -41.663 94 2HG2 VAL 14 2HG2 VAL 14 42.880 7.625 -43.077 95 3HG2 VAL 14 3HG2 VAL 14 41.144 7.308 -43.077 96 H GLY 15 H GLY 15 40.423 6.936 -38.590 97 1HA GLY 15 1HA GLY 15 38.562 8.444 -38.798 98 2HA GLY 15 2HA GLY 15 38.111 7.613 -40.273 99 H MET 16 H MET 16 38.913 6.274 -37.085 100 HA MET 16 HA MET 16 36.355 4.848 -37.139 101 1HB MET 16 1HB MET 16 38.889 4.005 -36.494 102 2HB MET 16 2HB MET 16 38.172 4.278 -34.912 103 1HG MET 16 1HG MET 16 36.311 2.878 -36.564 104 2HG MET 16 2HG MET 16 37.868 2.052 -36.601 105 1HE MET 16 1HE MET 16 37.506 -0.002 -35.525 106 2HE MET 16 2HE MET 16 38.808 0.595 -34.494 107 3HE MET 16 3HE MET 16 37.412 -0.211 -33.776 108 H GLN 17 H GLN 17 38.135 7.246 -35.338 109 HA GLN 17 HA GLN 17 37.596 8.588 -33.581 110 1HB GLN 17 1HB GLN 17 35.041 8.207 -35.064 111 2HB GLN 17 2HB GLN 17 34.969 8.997 -33.496 112 1HG GLN 17 1HG GLN 17 36.733 10.581 -34.341 113 2HG GLN 17 2HG GLN 17 36.478 9.878 -35.938 114 2HE2 GLN 17 1HE2 GLN 17 34.281 10.806 -33.311 115 1HE2 GLN 17 2HE2 GLN 17 33.294 11.848 -34.272 116 H TRP 18 H TRP 18 37.880 7.891 -31.576 117 HA TRP 18 HA TRP 18 35.804 6.214 -30.368 118 1HB TRP 18 1HB TRP 18 37.399 4.737 -29.342 119 2HB TRP 18 2HB TRP 18 37.714 4.762 -31.074 120 HD1 TRP 18 HD1 TRP 18 39.253 5.747 -27.733 121 HE1 TRP 18 HE1 TRP 18 41.725 6.351 -28.104 122 HE3 TRP 18 HE3 TRP 18 39.344 5.710 -32.846 123 HZ2 TRP 18 HZ2 TRP 18 43.486 6.759 -30.282 124 HZ3 TRP 18 HZ3 TRP 18 41.456 6.215 -33.988 125 HH2 TRP 18 HH2 TRP 18 43.481 6.729 -32.733 126 H LEU 19 H LEU 19 36.711 5.947 -27.855 127 HA LEU 19 HA LEU 19 37.501 8.605 -26.922 128 1HB LEU 19 1HB LEU 19 35.067 8.617 -26.944 129 2HB LEU 19 2HB LEU 19 35.030 7.138 -26.004 130 HG LEU 19 HG LEU 19 36.505 8.786 -24.390 131 1HD1 LEU 19 1HD1 LEU 19 34.908 10.441 -26.190 132 2HD1 LEU 19 2HD1 LEU 19 34.615 10.755 -24.479 133 3HD1 LEU 19 3HD1 LEU 19 36.249 10.879 -25.133 134 1HD2 LEU 19 1HD2 LEU 19 33.529 8.316 -24.455 135 2HD2 LEU 19 2HD2 LEU 19 34.743 7.351 -23.616 136 3HD2 LEU 19 3HD2 LEU 19 34.402 8.997 -23.083 137 H LYS 20 H LYS 20 38.814 8.572 -25.203 138 HA LYS 20 HA LYS 20 39.112 6.027 -23.748 139 1HB LYS 20 2HB LYS 20 40.993 6.689 -25.381 140 2HB LYS 20 1HB LYS 20 41.444 6.205 -23.751 141 1HG LYS 20 1HG LYS 20 41.368 8.971 -24.913 142 2HG LYS 20 2HG LYS 20 41.464 8.673 -23.176 143 1HD LYS 20 1HD LYS 20 43.410 7.026 -24.333 144 2HD LYS 20 2HD LYS 20 43.541 8.573 -25.171 145 1HE LYS 20 1HE LYS 20 43.795 9.739 -23.077 146 2HE LYS 20 2HE LYS 20 43.502 8.254 -22.173 147 1HZ LYS 20 1HZ LYS 20 45.696 8.221 -24.092 148 2HZ LYS 20 2HZ LYS 20 45.924 9.144 -22.692 149 3HZ LYS 20 3HZ LYS 20 45.578 7.493 -22.569 150 H THR 21 H THR 21 40.672 6.632 -21.709 151 HA THR 21 HA THR 21 40.005 9.147 -20.482 152 HB THR 21 HB THR 21 37.920 8.042 -20.023 153 HG1 THR 21 HG1 THR 21 37.972 8.219 -17.786 154 1HG2 THR 21 1HG2 THR 21 39.314 5.704 -20.122 155 2HG2 THR 21 2HG2 THR 21 39.034 5.870 -18.389 156 3HG2 THR 21 3HG2 THR 21 37.670 5.862 -19.505 157 H GLN 22 H GLN 22 40.654 9.009 -18.034 158 HA GLN 22 HA GLN 22 43.178 7.495 -17.877 159 1HB GLN 22 1HB GLN 22 42.486 10.261 -16.903 160 2HB GLN 22 2HB GLN 22 43.873 9.375 -16.285 161 1HG GLN 22 1HG GLN 22 43.443 9.958 -19.201 162 2HG GLN 22 2HG GLN 22 44.363 11.002 -18.119 163 2HE2 GLN 22 1HE2 GLN 22 45.709 9.184 -16.597 164 1HE2 GLN 22 2HE2 GLN 22 46.810 8.291 -17.583 165 H GLY 23 H GLY 23 40.137 8.105 -16.474 166 1HA GLY 23 1HA GLY 23 39.511 6.305 -14.847 167 2HA GLY 23 2HA GLY 23 40.982 6.742 -13.991 168 H ASN 24 H ASN 24 40.056 9.622 -14.992 169 HA ASN 24 HA ASN 24 38.035 10.057 -12.911 170 1HB ASN 24 1HB ASN 24 40.669 11.501 -13.181 171 2HB ASN 24 2HB ASN 24 39.309 12.173 -12.285 172 2HD2 ASN 24 1HD2 ASN 24 38.637 11.168 -10.379 173 1HD2 ASN 24 2HD2 ASN 24 39.656 10.066 -9.524 174 H LYS 25 H LYS 25 38.640 10.260 -16.044 175 HA LYS 25 HA LYS 25 36.701 12.356 -16.451 176 1HB LYS 25 2HB LYS 25 38.998 13.479 -16.309 177 2HB LYS 25 1HB LYS 25 38.006 13.848 -17.712 178 1HG LYS 25 1HG LYS 25 39.654 11.576 -18.272 179 2HG LYS 25 2HG LYS 25 39.593 13.143 -19.080 180 1HD LYS 25 1HD LYS 25 41.125 12.592 -16.541 181 2HD LYS 25 2HD LYS 25 41.833 12.571 -18.157 182 1HE LYS 25 1HE LYS 25 41.002 14.935 -18.425 183 2HE LYS 25 2HE LYS 25 40.606 14.908 -16.708 184 1HZ LYS 25 1HZ LYS 25 43.237 14.005 -17.023 185 2HZ LYS 25 2HZ LYS 25 43.076 15.440 -17.904 186 3HZ LYS 25 3HZ LYS 25 42.698 15.411 -16.254 187 H GLN 26 H GLN 26 37.265 12.747 -19.212 188 HA GLN 26 HA GLN 26 37.310 10.124 -20.442 189 1HB GLN 26 1HB GLN 26 34.853 11.881 -20.575 190 2HB GLN 26 2HB GLN 26 35.121 10.450 -21.562 191 1HG GLN 26 1HG GLN 26 35.042 9.026 -19.660 192 2HG GLN 26 2HG GLN 26 35.058 10.401 -18.557 193 2HE2 GLN 26 1HE2 GLN 26 33.134 8.137 -19.082 194 1HE2 GLN 26 2HE2 GLN 26 31.604 8.916 -19.274 195 H MET 27 H MET 27 38.870 10.561 -21.875 196 HA MET 27 HA MET 27 38.718 13.043 -23.431 197 1HB MET 27 1HB MET 27 40.884 11.448 -22.371 198 2HB MET 27 2HB MET 27 41.072 11.676 -24.105 199 1HG MET 27 1HG MET 27 40.349 14.174 -23.034 200 2HG MET 27 2HG MET 27 41.587 13.502 -21.976 201 1HE MET 27 1HE MET 27 43.362 14.535 -22.055 202 2HE MET 27 2HE MET 27 44.612 14.269 -23.271 203 3HE MET 27 3HE MET 27 43.672 15.762 -23.283 204 H LEU 28 H LEU 28 38.047 13.007 -25.473 205 HA LEU 28 HA LEU 28 37.461 10.465 -26.736 206 1HB LEU 28 1HB LEU 28 35.894 12.416 -26.798 207 2HB LEU 28 2HB LEU 28 37.051 13.253 -27.814 208 HG LEU 28 HG LEU 28 36.678 10.855 -29.136 209 1HD1 LEU 28 1HD1 LEU 28 34.265 11.553 -27.588 210 2HD1 LEU 28 2HD1 LEU 28 34.018 11.159 -29.289 211 3HD1 LEU 28 3HD1 LEU 28 34.802 9.997 -28.219 212 1HD2 LEU 28 1HD2 LEU 28 36.662 13.439 -29.775 213 2HD2 LEU 28 2HD2 LEU 28 36.021 12.196 -30.850 214 3HD2 LEU 28 3HD2 LEU 28 34.925 13.139 -29.841 215 H CYS 29 H CYS 29 38.918 9.435 -27.924 216 HA CYS 29 HA CYS 29 41.070 10.991 -29.181 217 1HB CYS 29 1HB CYS 29 40.873 8.225 -28.096 218 2HB CYS 29 2HB CYS 29 41.977 8.503 -29.438 219 H THR 30 H THR 30 41.416 10.957 -31.341 220 HA THR 30 HA THR 30 39.861 9.109 -33.002 221 HB THR 30 HB THR 30 39.859 12.111 -33.375 222 HG1 THR 30 HG1 THR 30 38.248 10.538 -32.013 223 1HG2 THR 30 1HG2 THR 30 38.838 9.887 -35.140 224 2HG2 THR 30 2HG2 THR 30 38.342 11.570 -35.310 225 3HG2 THR 30 3HG2 THR 30 40.032 11.122 -35.541 226 H CYS 31 H CYS 31 40.677 8.852 -35.146 227 HA CYS 31 HA CYS 31 43.464 9.756 -35.442 228 1HB CYS 31 1HB CYS 31 43.739 7.686 -36.875 229 2HB CYS 31 2HB CYS 31 43.501 7.395 -35.155 230 H LEU 32 H LEU 32 43.397 11.433 -36.776 231 HA LEU 32 HA LEU 32 41.494 11.623 -38.922 232 1HB LEU 32 1HB LEU 32 43.115 13.675 -39.435 233 2HB LEU 32 2HB LEU 32 41.874 13.732 -38.199 234 HG LEU 32 HG LEU 32 44.524 12.763 -37.317 235 1HD1 LEU 32 1HD1 LEU 32 44.488 15.006 -38.924 236 2HD1 LEU 32 2HD1 LEU 32 44.453 15.651 -37.283 237 3HD1 LEU 32 3HD1 LEU 32 45.742 14.551 -37.770 238 1HD2 LEU 32 1HD2 LEU 32 42.362 13.224 -35.958 239 2HD2 LEU 32 2HD2 LEU 32 43.920 13.730 -35.304 240 3HD2 LEU 32 3HD2 LEU 32 42.860 14.912 -36.071 241 H GLY 33 H GLY 33 44.717 12.705 -39.644 242 1HA GLY 33 1HA GLY 33 45.096 10.435 -41.473 243 2HA GLY 33 2HA GLY 33 45.124 12.069 -42.114 244 H ASN 34 H ASN 34 46.548 13.375 -40.121 245 HA ASN 34 HA ASN 34 49.210 12.520 -40.774 246 1HB ASN 34 2HB ASN 34 48.477 14.935 -40.579 247 2HB ASN 34 1HB ASN 34 49.960 14.525 -39.722 248 2HD2 ASN 34 1HD2 ASN 34 49.651 13.909 -37.404 249 1HD2 ASN 34 2HD2 ASN 34 48.527 14.851 -36.494 250 H GLY 35 H GLY 35 47.007 11.963 -38.222 251 1HA GLY 35 1HA GLY 35 48.594 10.027 -36.984 252 2HA GLY 35 2HA GLY 35 48.802 11.524 -36.088 253 H VAL 36 H VAL 36 47.769 10.988 -34.233 254 HA VAL 36 HA VAL 36 44.871 10.531 -34.444 255 HB VAL 36 HB VAL 36 46.830 9.053 -32.697 256 1HG1 VAL 36 1HG1 VAL 36 44.061 9.817 -32.088 257 2HG1 VAL 36 2HG1 VAL 36 44.427 8.103 -31.883 258 3HG1 VAL 36 3HG1 VAL 36 45.366 9.315 -31.012 259 1HG2 VAL 36 1HG2 VAL 36 45.041 8.410 -34.929 260 2HG2 VAL 36 2HG2 VAL 36 46.535 7.633 -34.408 261 3HG2 VAL 36 3HG2 VAL 36 45.017 7.257 -33.595 262 H SER 37 H SER 37 43.847 12.193 -33.554 263 HA SER 37 HA SER 37 45.117 13.569 -31.278 264 1HB SER 37 1HB SER 37 44.786 14.838 -33.499 265 2HB SER 37 2HB SER 37 43.070 14.837 -33.089 266 HG SER 37 HG SER 37 44.884 15.674 -31.138 267 H CYS 38 H CYS 38 43.831 14.230 -29.551 268 HA CYS 38 HA CYS 38 41.107 13.125 -29.464 269 1HB CYS 38 1HB CYS 38 42.817 13.105 -27.009 270 2HB CYS 38 2HB CYS 38 41.438 12.091 -27.412 271 H GLN 39 H GLN 39 39.666 14.191 -27.999 272 HA GLN 39 HA GLN 39 40.582 16.805 -27.029 273 1HB GLN 39 1HB GLN 39 38.298 17.691 -27.816 274 2HB GLN 39 2HB GLN 39 39.556 17.467 -29.023 275 1HG GLN 39 1HG GLN 39 38.451 15.805 -30.071 276 2HG GLN 39 2HG GLN 39 37.759 15.174 -28.577 277 2HE2 GLN 39 1HE2 GLN 39 37.523 17.825 -30.891 278 1HE2 GLN 39 2HE2 GLN 39 35.834 18.108 -30.670 279 H GLU 40 H GLU 40 40.159 16.965 -24.942 280 HA GLU 40 HA GLU 40 38.854 15.212 -23.343 281 1HB GLU 40 1HB GLU 40 39.923 17.799 -23.044 282 2HB GLU 40 2HB GLU 40 38.304 17.860 -22.360 283 1HG GLU 40 1HG GLU 40 38.883 16.644 -20.589 284 2HG GLU 40 2HG GLU 40 39.795 15.493 -21.565 285 H THR 41 H THR 41 36.925 14.362 -23.829 286 HA THR 41 HA THR 41 34.777 15.687 -25.036 287 HB THR 41 HB THR 41 35.222 13.121 -24.560 288 HG1 THR 41 HG1 THR 41 32.533 14.022 -24.520 289 1HG2 THR 41 1HG2 THR 41 34.813 13.587 -22.044 290 2HG2 THR 41 2HG2 THR 41 33.108 13.607 -22.489 291 3HG2 THR 41 3HG2 THR 41 34.076 12.160 -22.773 292 H ALA 42 H ALA 42 35.630 15.218 -21.666 293 HA ALA 42 HA ALA 42 34.683 15.967 -19.715 294 1HB ALA 42 1HB ALA 42 35.816 17.970 -20.824 295 2HB ALA 42 2HB ALA 42 34.187 18.514 -21.225 296 3HB ALA 42 3HB ALA 42 34.657 18.302 -19.538 297 H VAL 43 H VAL 43 32.694 17.875 -19.226 298 HA VAL 43 HA VAL 43 30.314 17.242 -20.677 299 HB VAL 43 HB VAL 43 30.989 15.661 -18.324 300 1HG1 VAL 43 1HG1 VAL 43 29.312 17.335 -17.371 301 2HG1 VAL 43 2HG1 VAL 43 28.131 16.531 -18.405 302 3HG1 VAL 43 3HG1 VAL 43 28.978 15.620 -17.157 303 1HG2 VAL 43 1HG2 VAL 43 28.961 15.429 -20.518 304 2HG2 VAL 43 2HG2 VAL 43 30.526 14.621 -20.413 305 3HG2 VAL 43 3HG2 VAL 43 29.234 14.191 -19.290 306 H THR 44 H THR 44 28.356 18.074 -19.364 307 HA THR 44 HA THR 44 28.887 20.245 -17.548 308 HB THR 44 HB THR 44 29.215 21.804 -19.134 309 HG1 THR 44 HG1 THR 44 27.290 22.754 -19.810 310 1HG2 THR 44 1HG2 THR 44 28.027 19.792 -21.020 311 2HG2 THR 44 2HG2 THR 44 28.335 21.451 -21.538 312 3HG2 THR 44 3HG2 THR 44 29.667 20.441 -20.976 313 H GLN 45 H GLN 45 26.874 21.362 -16.887 314 HA GLN 45 HA GLN 45 24.794 19.467 -16.446 315 1HB GLN 45 2HB GLN 45 23.766 21.130 -15.099 316 2HB GLN 45 1HB GLN 45 24.597 22.431 -15.940 317 1HG GLN 45 1HG GLN 45 26.108 20.371 -14.379 318 2HG GLN 45 2HG GLN 45 26.627 21.978 -14.886 319 2HE2 GLN 45 1HE2 GLN 45 24.894 23.694 -14.052 320 1HE2 GLN 45 2HE2 GLN 45 24.604 23.601 -12.352 321 H THR 46 H THR 46 22.433 20.722 -16.624 322 HA THR 46 HA THR 46 22.124 21.718 -19.352 323 HB THR 46 HB THR 46 20.133 20.148 -19.643 324 HG1 THR 46 HG1 THR 46 20.585 19.477 -17.241 325 1HG2 THR 46 1HG2 THR 46 22.855 19.848 -20.245 326 2HG2 THR 46 2HG2 THR 46 22.313 18.266 -19.686 327 3HG2 THR 46 3HG2 THR 46 21.491 19.054 -21.033 328 H TYR 47 H TYR 47 20.077 22.745 -19.746 329 HA TYR 47 HA TYR 47 18.316 23.184 -17.483 330 1HB TYR 47 1HB TYR 47 18.542 25.620 -17.529 331 2HB TYR 47 2HB TYR 47 20.082 24.861 -17.139 332 HD1 TYR 47 HD1 TYR 47 18.165 26.279 -20.002 333 HD2 TYR 47 HD2 TYR 47 21.990 25.434 -18.345 334 HE1 TYR 47 HE1 TYR 47 19.228 27.516 -21.842 335 HE2 TYR 47 HE2 TYR 47 23.065 26.667 -20.181 336 HH TYR 47 HH TYR 47 22.599 27.392 -22.434 337 H GLY 48 H GLY 48 16.282 23.946 -18.052 338 1HA GLY 48 1HA GLY 48 14.458 23.942 -19.468 339 2HA GLY 48 2HA GLY 48 15.381 25.204 -20.269 340 H GLY 49 H GLY 49 15.090 24.838 -22.382 341 1HA GLY 49 1HA GLY 49 15.647 23.818 -24.400 342 2HA GLY 49 2HA GLY 49 16.213 22.414 -23.506 343 H ASN 50 H ASN 50 15.074 20.644 -23.875 344 HA ASN 50 HA ASN 50 12.202 20.928 -24.468 345 1HB ASN 50 1HB ASN 50 14.188 19.826 -26.090 346 2HB ASN 50 2HB ASN 50 13.363 18.433 -25.397 347 2HD2 ASN 50 1HD2 ASN 50 12.965 21.342 -27.295 348 1HD2 ASN 50 2HD2 ASN 50 11.483 20.875 -28.053 349 H SER 51 H SER 51 14.530 19.647 -22.378 350 HA SER 51 HA SER 51 12.495 17.925 -21.128 351 1HB SER 51 1HB SER 51 14.718 16.918 -22.314 352 2HB SER 51 2HB SER 51 15.323 17.186 -20.679 353 HG SER 51 HG SER 51 13.150 16.077 -20.157 354 H ASN 52 H ASN 52 13.470 20.751 -20.694 355 HA ASN 52 HA ASN 52 14.049 22.148 -18.986 356 1HB ASN 52 1HB ASN 52 11.891 21.248 -18.186 357 2HB ASN 52 2HB ASN 52 12.752 19.962 -17.345 358 2HD2 ASN 52 1HD2 ASN 52 13.731 20.379 -15.424 359 1HD2 ASN 52 2HD2 ASN 52 13.603 21.888 -14.591 360 H GLY 53 H GLY 53 16.213 20.649 -19.765 361 1HA GLY 53 1HA GLY 53 18.344 20.165 -19.055 362 2HA GLY 53 2HA GLY 53 17.899 20.848 -17.499 363 H GLU 54 H GLU 54 18.076 17.933 -19.416 364 HA GLU 54 HA GLU 54 17.747 16.370 -16.943 365 1HB GLU 54 1HB GLU 54 16.770 15.768 -19.724 366 2HB GLU 54 2HB GLU 54 16.954 14.512 -18.511 367 1HG GLU 54 1HG GLU 54 15.515 16.672 -17.359 368 2HG GLU 54 2HG GLU 54 14.784 16.264 -18.909 369 HA PRO 55 HA PRO 55 21.585 14.319 -17.538 370 1HB PRO 55 2HB PRO 55 21.448 12.226 -16.621 371 2HB PRO 55 1HB PRO 55 20.238 11.688 -17.791 372 1HG PRO 55 1HG PRO 55 18.893 11.916 -15.911 373 2HG PRO 55 2HG PRO 55 19.873 13.244 -15.260 374 1HD PRO 55 1HD PRO 55 17.791 13.298 -17.409 375 2HD PRO 55 2HD PRO 55 18.118 14.481 -16.125 376 H CYS 56 H CYS 56 22.567 14.673 -19.436 377 HA CYS 56 HA CYS 56 21.563 14.215 -21.975 378 1HB CYS 56 1HB CYS 56 24.491 14.078 -21.244 379 2HB CYS 56 2HB CYS 56 23.798 14.540 -22.794 380 H VAL 57 H VAL 57 22.685 12.701 -23.613 381 HA VAL 57 HA VAL 57 23.177 10.047 -22.479 382 HB VAL 57 HB VAL 57 20.738 10.267 -23.055 383 1HG1 VAL 57 1HG1 VAL 57 21.801 11.337 -25.441 384 2HG1 VAL 57 2HG1 VAL 57 20.983 9.831 -25.859 385 3HG1 VAL 57 3HG1 VAL 57 20.108 11.104 -25.006 386 1HG2 VAL 57 1HG2 VAL 57 22.484 8.161 -23.404 387 2HG2 VAL 57 2HG2 VAL 57 20.723 8.058 -23.386 388 3HG2 VAL 57 3HG2 VAL 57 21.583 8.199 -24.920 389 H LEU 58 H LEU 58 25.300 11.143 -23.270 390 HA LEU 58 HA LEU 58 25.708 10.571 -26.124 391 1HB LEU 58 1HB LEU 58 27.929 11.827 -25.645 392 2HB LEU 58 2HB LEU 58 26.441 12.736 -25.833 393 HG LEU 58 HG LEU 58 27.957 13.472 -23.959 394 1HD1 LEU 58 1HD1 LEU 58 25.170 13.312 -24.108 395 2HD1 LEU 58 2HD1 LEU 58 25.589 12.872 -22.453 396 3HD1 LEU 58 3HD1 LEU 58 26.134 14.410 -23.121 397 1HD2 LEU 58 1HD2 LEU 58 28.283 10.927 -23.340 398 2HD2 LEU 58 2HD2 LEU 58 28.350 12.191 -22.113 399 3HD2 LEU 58 3HD2 LEU 58 26.881 11.240 -22.318 400 HA PRO 59 HA PRO 59 27.900 10.759 -27.165 401 1HB PRO 59 1HB PRO 59 28.946 8.988 -28.900 402 2HB PRO 59 2HB PRO 59 29.929 9.783 -27.665 403 1HG PRO 59 1HG PRO 59 28.749 7.033 -27.664 404 2HG PRO 59 2HG PRO 59 30.361 7.559 -27.148 405 1HD PRO 59 1HD PRO 59 28.300 7.080 -25.417 406 2HD PRO 59 2HD PRO 59 29.616 8.223 -25.083 407 H PHE 60 H PHE 60 26.259 11.178 -28.495 408 HA PHE 60 HA PHE 60 24.510 8.950 -29.309 409 1HB PHE 60 1HB PHE 60 22.787 10.817 -29.631 410 2HB PHE 60 2HB PHE 60 23.200 10.390 -27.974 411 HD1 PHE 60 HD1 PHE 60 23.682 12.884 -30.638 412 HD2 PHE 60 HD2 PHE 60 24.243 11.952 -26.524 413 HE1 PHE 60 HE1 PHE 60 24.261 15.232 -30.189 414 HE2 PHE 60 HE2 PHE 60 24.823 14.298 -26.066 415 HZ PHE 60 HZ PHE 60 24.832 15.942 -27.900 416 H THR 61 H THR 61 23.090 10.023 -31.313 417 HA THR 61 HA THR 61 25.113 10.849 -33.294 418 HB THR 61 HB THR 61 22.744 9.345 -34.254 419 HG1 THR 61 HG1 THR 61 24.771 8.238 -32.625 420 1HG2 THR 61 1HG2 THR 61 24.478 10.179 -35.776 421 2HG2 THR 61 2HG2 THR 61 25.687 9.228 -34.915 422 3HG2 THR 61 3HG2 THR 61 24.393 8.417 -35.798 423 H TYR 62 H TYR 62 24.680 12.691 -34.322 424 HA TYR 62 HA TYR 62 21.907 13.512 -34.714 425 1HB TYR 62 1HB TYR 62 22.528 14.604 -32.633 426 2HB TYR 62 2HB TYR 62 23.990 15.247 -33.373 427 HD1 TYR 62 HD1 TYR 62 20.297 15.242 -33.968 428 HD2 TYR 62 HD2 TYR 62 23.937 17.442 -34.080 429 HE1 TYR 62 HE1 TYR 62 19.056 17.248 -34.663 430 HE2 TYR 62 HE2 TYR 62 22.706 19.454 -34.776 431 HH TYR 62 HH TYR 62 20.350 20.332 -34.579 432 H ASN 63 H ASN 63 21.579 14.332 -36.678 433 HA ASN 63 HA ASN 63 21.947 15.233 -38.735 434 1HB ASN 63 1HB ASN 63 23.385 16.841 -37.170 435 2HB ASN 63 2HB ASN 63 24.713 16.115 -38.071 436 2HD2 ASN 63 1HD2 ASN 63 22.742 18.682 -37.984 437 1HD2 ASN 63 2HD2 ASN 63 22.714 19.109 -39.657 438 H GLY 64 H GLY 64 23.415 12.652 -37.526 439 1HA GLY 64 1HA GLY 64 23.965 10.861 -39.064 440 2HA GLY 64 2HA GLY 64 24.755 12.053 -40.083 441 H ARG 65 H ARG 65 25.837 13.195 -37.393 442 HA ARG 65 HA ARG 65 28.169 11.415 -37.347 443 1HB ARG 65 1HB ARG 65 29.454 13.249 -36.563 444 2HB ARG 65 2HB ARG 65 28.449 13.874 -37.862 445 1HG ARG 65 1HG ARG 65 26.833 14.525 -35.931 446 2HG ARG 65 2HG ARG 65 28.275 14.366 -34.926 447 1HD ARG 65 1HD ARG 65 28.587 16.527 -35.485 448 2HD ARG 65 2HD ARG 65 29.260 15.839 -36.963 449 HE ARG 65 HE ARG 65 26.468 16.196 -37.228 450 1HH1 ARG 65 1HH1 ARG 65 29.457 17.983 -37.144 451 2HH1 ARG 65 2HH1 ARG 65 28.857 19.282 -38.119 452 1HH2 ARG 65 1HH2 ARG 65 25.670 17.901 -38.512 453 2HH2 ARG 65 2HH2 ARG 65 26.703 19.236 -38.896 454 H THR 66 H THR 66 29.213 12.357 -34.883 455 HA THR 66 HA THR 66 27.246 11.431 -32.909 456 HB THR 66 HB THR 66 30.071 10.485 -32.656 457 HG1 THR 66 HG1 THR 66 29.607 9.690 -34.670 458 1HG2 THR 66 1HG2 THR 66 28.321 10.249 -30.851 459 2HG2 THR 66 2HG2 THR 66 27.477 9.135 -31.928 460 3HG2 THR 66 3HG2 THR 66 29.098 8.748 -31.352 461 H PHE 67 H PHE 67 27.736 12.032 -30.721 462 HA PHE 67 HA PHE 67 29.861 13.994 -30.336 463 1HB PHE 67 1HB PHE 67 27.039 14.662 -29.507 464 2HB PHE 67 2HB PHE 67 28.443 15.722 -29.536 465 HD1 PHE 67 HD1 PHE 67 26.361 13.662 -31.845 466 HD2 PHE 67 HD2 PHE 67 28.675 17.189 -31.289 467 HE1 PHE 67 HE1 PHE 67 25.722 14.431 -34.092 468 HE2 PHE 67 HE2 PHE 67 28.040 17.965 -33.535 469 HZ PHE 67 HZ PHE 67 26.562 16.586 -34.940 470 H TYR 68 H TYR 68 30.902 13.465 -28.537 471 HA TYR 68 HA TYR 68 29.649 11.723 -26.587 472 1HB TYR 68 1HB TYR 68 32.456 12.788 -26.899 473 2HB TYR 68 2HB TYR 68 31.957 11.808 -25.524 474 HD1 TYR 68 HD1 TYR 68 31.395 11.601 -29.218 475 HD2 TYR 68 HD2 TYR 68 32.750 9.651 -25.688 476 HE1 TYR 68 HE1 TYR 68 31.832 9.561 -30.520 477 HE2 TYR 68 HE2 TYR 68 33.193 7.606 -26.981 478 HH TYR 68 HH TYR 68 32.937 7.548 -30.474 479 H SER 69 H SER 69 29.037 14.710 -26.966 480 HA SER 69 HA SER 69 28.457 15.289 -24.279 481 1HB SER 69 1HB SER 69 30.917 16.615 -25.414 482 2HB SER 69 2HB SER 69 29.985 17.337 -24.103 483 HG SER 69 HG SER 69 30.370 14.844 -23.416 484 H CYS 70 H CYS 70 27.982 17.821 -24.099 485 HA CYS 70 HA CYS 70 25.850 18.391 -25.733 486 1HB CYS 70 1HB CYS 70 27.673 20.308 -24.271 487 2HB CYS 70 2HB CYS 70 26.115 20.745 -24.955 488 H THR 71 H THR 71 25.684 20.400 -27.179 489 HA THR 71 HA THR 71 27.943 21.259 -28.659 490 HB THR 71 HB THR 71 27.855 18.970 -29.559 491 HG1 THR 71 HG1 THR 71 28.491 20.725 -30.933 492 1HG2 THR 71 1HG2 THR 71 25.020 19.742 -30.112 493 2HG2 THR 71 2HG2 THR 71 25.837 18.596 -31.174 494 3HG2 THR 71 3HG2 THR 71 25.662 18.237 -29.455 495 H THR 72 H THR 72 27.289 22.502 -30.639 496 HA THR 72 HA THR 72 24.550 23.555 -30.374 497 HB THR 72 HB THR 72 25.537 25.784 -31.110 498 HG1 THR 72 HG1 THR 72 27.623 25.836 -31.437 499 1HG2 THR 72 1HG2 THR 72 25.449 24.534 -28.524 500 2HG2 THR 72 2HG2 THR 72 26.774 25.696 -28.587 501 3HG2 THR 72 3HG2 THR 72 25.130 26.213 -28.961 502 H GLU 73 H GLU 73 25.900 21.580 -32.217 503 HA GLU 73 HA GLU 73 26.154 22.761 -34.775 504 1HB GLU 73 1HB GLU 73 26.072 20.033 -33.666 505 2HB GLU 73 2HB GLU 73 25.520 20.173 -35.330 506 1HG GLU 73 1HG GLU 73 28.102 21.418 -34.494 507 2HG GLU 73 2HG GLU 73 28.012 19.691 -34.841 508 H GLY 74 H GLY 74 23.453 22.339 -32.878 509 1HA GLY 74 1HA GLY 74 21.643 21.953 -35.155 510 2HA GLY 74 2HA GLY 74 21.199 21.842 -33.459 511 H ARG 75 H ARG 75 22.998 24.460 -33.360 512 HA ARG 75 HA ARG 75 20.889 26.289 -34.293 513 1HB ARG 75 1HB ARG 75 21.515 27.695 -32.233 514 2HB ARG 75 2HB ARG 75 20.497 26.288 -31.987 515 1HG ARG 75 1HG ARG 75 23.374 25.773 -31.755 516 2HG ARG 75 2HG ARG 75 22.722 26.880 -30.550 517 1HD ARG 75 1HD ARG 75 22.669 24.111 -30.464 518 2HD ARG 75 2HD ARG 75 21.762 25.211 -29.433 519 HE ARG 75 HE ARG 75 20.746 23.715 -31.722 520 1HH1 ARG 75 1HH1 ARG 75 20.156 26.081 -29.225 521 2HH1 ARG 75 2HH1 ARG 75 18.435 25.934 -29.319 522 1HH2 ARG 75 1HH2 ARG 75 18.481 23.523 -31.848 523 2HH2 ARG 75 2HH2 ARG 75 17.483 24.483 -30.808 524 H GLN 76 H GLN 76 21.683 28.592 -34.381 525 HA GLN 76 HA GLN 76 24.490 28.646 -35.275 526 1HB GLN 76 2HB GLN 76 22.713 28.901 -37.062 527 2HB GLN 76 1HB GLN 76 23.916 30.181 -36.988 528 1HG GLN 76 1HG GLN 76 21.114 30.293 -35.900 529 2HG GLN 76 2HG GLN 76 22.321 31.566 -35.719 530 2HE2 GLN 76 1HE2 GLN 76 21.090 33.064 -36.832 531 1HE2 GLN 76 2HE2 GLN 76 20.856 32.986 -38.542 532 H ASP 77 H ASP 77 23.040 29.306 -32.655 533 HA ASP 77 HA ASP 77 23.855 32.112 -32.386 534 1HB ASP 77 1HB ASP 77 21.543 30.924 -31.586 535 2HB ASP 77 2HB ASP 77 22.505 30.795 -30.116 536 H GLY 78 H GLY 78 23.762 29.405 -30.092 537 1HA GLY 78 1HA GLY 78 26.345 28.752 -29.744 538 2HA GLY 78 2HA GLY 78 26.260 30.306 -28.931 539 H HIS 79 H HIS 79 23.702 27.883 -29.011 540 HA HIS 79 HA HIS 79 23.933 27.683 -26.089 541 1HB HIS 79 2HB HIS 79 21.657 27.445 -25.944 542 2HB HIS 79 1HB HIS 79 21.527 26.664 -27.517 543 HD1 HIS 79 HD1 HIS 79 19.955 28.098 -28.790 544 HD2 HIS 79 HD2 HIS 79 22.829 30.331 -26.787 545 HE1 HIS 79 HE1 HIS 79 19.588 30.476 -29.522 546 HE2 HIS 79 HE2 HIS 79 21.384 31.799 -28.350 547 H LEU 80 H LEU 80 24.761 25.888 -25.287 548 HA LEU 80 HA LEU 80 25.249 23.589 -26.928 549 1HB LEU 80 1HB LEU 80 25.767 24.281 -24.053 550 2HB LEU 80 2HB LEU 80 26.017 22.650 -24.639 551 HG LEU 80 HG LEU 80 27.616 23.553 -26.328 552 1HD1 LEU 80 1HD1 LEU 80 27.129 26.110 -24.814 553 2HD1 LEU 80 2HD1 LEU 80 28.510 25.842 -25.879 554 3HD1 LEU 80 3HD1 LEU 80 26.872 25.810 -26.533 555 1HD2 LEU 80 1HD2 LEU 80 27.982 23.550 -23.412 556 2HD2 LEU 80 2HD2 LEU 80 28.892 22.719 -24.675 557 3HD2 LEU 80 3HD2 LEU 80 29.217 24.417 -24.325 558 H TRP 81 H TRP 81 24.239 21.624 -26.904 559 HA TRP 81 HA TRP 81 22.122 21.135 -24.964 560 1HB TRP 81 1HB TRP 81 20.456 20.643 -26.691 561 2HB TRP 81 2HB TRP 81 20.991 22.317 -26.792 562 HD1 TRP 81 HD1 TRP 81 22.370 23.038 -28.952 563 HE1 TRP 81 HE1 TRP 81 22.685 21.932 -31.252 564 HE3 TRP 81 HE3 TRP 81 20.677 18.345 -27.841 565 HZ2 TRP 81 HZ2 TRP 81 22.272 19.407 -32.440 566 HZ3 TRP 81 HZ3 TRP 81 20.667 16.642 -29.617 567 HH2 TRP 81 HH2 TRP 81 21.448 17.163 -31.869 568 H CYS 82 H CYS 82 21.525 18.981 -24.754 569 HA CYS 82 HA CYS 82 23.073 17.019 -26.296 570 1HB CYS 82 1HB CYS 82 23.386 15.707 -24.190 571 2HB CYS 82 2HB CYS 82 24.263 17.233 -24.214 572 H SER 83 H SER 83 22.177 14.701 -25.653 573 HA SER 83 HA SER 83 19.273 14.892 -26.011 574 1HB SER 83 1HB SER 83 20.329 13.652 -27.763 575 2HB SER 83 2HB SER 83 21.244 12.683 -26.610 576 HG SER 83 HG SER 83 19.621 11.357 -26.877 577 H THR 84 H THR 84 17.841 14.030 -24.606 578 HA THR 84 HA THR 84 18.805 13.293 -22.001 579 HB THR 84 HB THR 84 16.607 13.429 -21.236 580 HG1 THR 84 HG1 THR 84 15.603 11.988 -22.652 581 1HG2 THR 84 1HG2 THR 84 17.265 15.334 -23.399 582 2HG2 THR 84 2HG2 THR 84 15.588 15.323 -22.853 583 3HG2 THR 84 3HG2 THR 84 16.888 15.630 -21.703 584 H THR 85 H THR 85 18.189 11.571 -24.835 585 HA THR 85 HA THR 85 18.520 9.068 -23.436 586 HB THR 85 HB THR 85 15.933 9.742 -23.789 587 HG1 THR 85 HG1 THR 85 15.560 7.467 -23.610 588 1HG2 THR 85 1HG2 THR 85 16.448 9.637 -26.352 589 2HG2 THR 85 2HG2 THR 85 16.338 7.894 -26.109 590 3HG2 THR 85 3HG2 THR 85 14.960 8.927 -25.728 591 H SER 86 H SER 86 18.962 7.262 -24.888 592 HA SER 86 HA SER 86 20.806 7.874 -26.854 593 1HB SER 86 1HB SER 86 19.637 5.355 -27.512 594 2HB SER 86 2HB SER 86 21.158 5.672 -26.678 595 HG SER 86 HG SER 86 18.937 4.640 -25.677 596 H ASN 87 H ASN 87 17.655 6.362 -27.553 597 HA ASN 87 HA ASN 87 17.699 6.969 -30.291 598 1HB ASN 87 1HB ASN 87 15.962 5.639 -28.481 599 2HB ASN 87 2HB ASN 87 14.994 6.805 -29.377 600 2HD2 ASN 87 1HD2 ASN 87 13.900 5.175 -30.460 601 1HD2 ASN 87 2HD2 ASN 87 14.637 4.255 -31.723 602 H TYR 88 H TYR 88 18.354 9.227 -30.276 603 HA TYR 88 HA TYR 88 16.471 11.195 -29.314 604 1HB TYR 88 1HB TYR 88 18.729 11.880 -29.157 605 2HB TYR 88 2HB TYR 88 19.085 11.364 -30.803 606 HD1 TYR 88 HD1 TYR 88 18.329 12.718 -32.718 607 HD2 TYR 88 HD2 TYR 88 17.753 14.027 -28.713 608 HE1 TYR 88 HE1 TYR 88 17.894 14.997 -33.531 609 HE2 TYR 88 HE2 TYR 88 17.317 16.309 -29.513 610 HH TYR 88 HH TYR 88 16.391 17.189 -32.149 611 H GLU 89 H GLU 89 17.405 9.756 -32.377 612 HA GLU 89 HA GLU 89 16.012 11.530 -34.067 613 1HB GLU 89 1HB GLU 89 17.078 8.747 -34.350 614 2HB GLU 89 2HB GLU 89 16.016 9.390 -35.596 615 1HG GLU 89 1HG GLU 89 18.533 10.753 -34.677 616 2HG GLU 89 2HG GLU 89 18.452 9.651 -36.050 617 H GLN 90 H GLN 90 14.928 9.142 -31.909 618 HA GLN 90 HA GLN 90 12.339 8.906 -33.265 619 1HB GLN 90 1HB GLN 90 12.985 6.751 -32.734 620 2HB GLN 90 2HB GLN 90 13.790 7.245 -31.252 621 1HG GLN 90 1HG GLN 90 11.786 5.925 -30.810 622 2HG GLN 90 2HG GLN 90 11.656 7.556 -30.156 623 2HE2 GLN 90 1HE2 GLN 90 9.425 6.035 -30.510 624 1HE2 GLN 90 2HE2 GLN 90 8.469 6.680 -31.797 625 H ASP 91 H ASP 91 13.720 9.568 -30.066 626 HA ASP 91 HA ASP 91 11.210 10.507 -29.022 627 1HB ASP 91 2HB ASP 91 12.454 10.987 -26.986 628 2HB ASP 91 1HB ASP 91 13.981 10.765 -27.836 629 H GLN 92 H GLN 92 14.080 11.922 -30.427 630 HA GLN 92 HA GLN 92 14.679 14.071 -30.896 631 1HB GLN 92 1HB GLN 92 11.690 14.149 -31.301 632 2HB GLN 92 2HB GLN 92 12.737 15.500 -31.711 633 1HG GLN 92 1HG GLN 92 13.641 12.964 -32.822 634 2HG GLN 92 2HG GLN 92 12.038 13.446 -33.377 635 2HE2 GLN 92 1HE2 GLN 92 15.177 14.982 -32.740 636 1HE2 GLN 92 2HE2 GLN 92 15.215 15.902 -34.202 637 H LYS 93 H LYS 93 14.741 13.722 -28.240 638 HA LYS 93 HA LYS 93 13.707 16.278 -27.228 639 1HB LYS 93 1HB LYS 93 12.910 15.381 -25.267 640 2HB LYS 93 2HB LYS 93 12.563 14.066 -26.379 641 1HG LYS 93 1HG LYS 93 15.030 14.197 -24.662 642 2HG LYS 93 2HG LYS 93 13.543 13.372 -24.197 643 1HD LYS 93 1HD LYS 93 14.052 11.594 -25.436 644 2HD LYS 93 2HD LYS 93 14.371 12.600 -26.848 645 1HE LYS 93 1HE LYS 93 16.470 12.869 -24.899 646 2HE LYS 93 2HE LYS 93 16.230 11.178 -25.325 647 1HZ LYS 93 1HZ LYS 93 16.217 12.169 -27.732 648 2HZ LYS 93 2HZ LYS 93 17.103 13.413 -27.006 649 3HZ LYS 93 3HZ LYS 93 17.676 11.823 -26.947 650 H TYR 94 H TYR 94 15.314 17.565 -26.746 651 HA TYR 94 HA TYR 94 17.827 16.396 -25.751 652 1HB TYR 94 1HB TYR 94 19.067 18.046 -26.960 653 2HB TYR 94 2HB TYR 94 17.929 17.322 -28.086 654 HD1 TYR 94 HD1 TYR 94 18.262 20.257 -25.801 655 HD2 TYR 94 HD2 TYR 94 16.606 18.700 -29.399 656 HE1 TYR 94 HE1 TYR 94 17.407 22.494 -26.371 657 HE2 TYR 94 HE2 TYR 94 15.747 20.929 -29.976 658 HH TYR 94 HH TYR 94 16.741 23.745 -28.416 659 H SER 95 H SER 95 19.220 18.133 -24.671 660 HA SER 95 HA SER 95 17.621 20.050 -23.144 661 1HB SER 95 1HB SER 95 19.575 18.862 -21.401 662 2HB SER 95 2HB SER 95 17.826 18.957 -21.197 663 HG SER 95 HG SER 95 17.821 17.094 -22.734 664 H PHE 96 H PHE 96 18.639 21.948 -22.830 665 HA PHE 96 HA PHE 96 21.039 22.496 -24.209 666 1HB PHE 96 1HB PHE 96 19.343 24.055 -22.282 667 2HB PHE 96 2HB PHE 96 20.883 24.700 -22.844 668 HD1 PHE 96 HD1 PHE 96 21.003 23.979 -25.616 669 HD2 PHE 96 HD2 PHE 96 17.647 25.214 -23.310 670 HE1 PHE 96 HE1 PHE 96 19.911 24.812 -27.659 671 HE2 PHE 96 HE2 PHE 96 16.546 26.045 -25.347 672 HZ PHE 96 HZ PHE 96 17.678 25.842 -27.525 673 H CYS 97 H CYS 97 22.785 23.861 -22.925 674 HA CYS 97 HA CYS 97 23.480 22.598 -20.392 675 1HB CYS 97 1HB CYS 97 25.575 22.685 -22.542 676 2HB CYS 97 2HB CYS 97 25.539 21.719 -21.070 677 H THR 98 H THR 98 24.937 23.796 -19.141 678 HA THR 98 HA THR 98 24.823 26.586 -19.467 679 HB THR 98 HB THR 98 26.778 26.433 -17.690 680 HG1 THR 98 HG1 THR 98 25.585 23.875 -17.379 681 1HG2 THR 98 1HG2 THR 98 24.365 27.097 -17.357 682 2HG2 THR 98 2HG2 THR 98 24.043 25.409 -16.960 683 3HG2 THR 98 3HG2 THR 98 25.150 26.353 -15.964 684 H ASP 99 H ASP 99 27.983 25.258 -18.833 685 HA ASP 99 HA ASP 99 29.993 25.452 -19.889 686 1HB ASP 99 1HB ASP 99 28.096 25.245 -22.046 687 2HB ASP 99 2HB ASP 99 29.385 26.360 -22.490 688 H HIS 100 H HIS 100 27.943 27.936 -21.430 689 HA HIS 100 HA HIS 100 28.274 30.174 -21.732 690 1HB HIS 100 1HB HIS 100 28.218 29.594 -18.986 691 2HB HIS 100 2HB HIS 100 29.539 30.738 -19.192 692 HD1 HIS 100 HD1 HIS 100 25.993 30.523 -20.583 693 HD2 HIS 100 HD2 HIS 100 28.604 33.237 -18.825 694 HE1 HIS 100 HE1 HIS 100 24.723 32.690 -20.455 695 HE2 HIS 100 HE2 HIS 100 26.304 34.304 -19.338 696 H THR 101 H THR 101 30.047 32.027 -21.121 697 HA THR 101 HA THR 101 32.636 30.925 -22.004 698 HB THR 101 HB THR 101 31.749 32.196 -23.819 699 HG1 THR 101 HG1 THR 101 33.681 33.027 -23.999 700 1HG2 THR 101 1HG2 THR 101 30.706 33.873 -21.693 701 2HG2 THR 101 2HG2 THR 101 31.486 34.823 -22.958 702 3HG2 THR 101 3HG2 THR 101 30.174 33.717 -23.367 No H/Q in entry = 702 Start of MODEL 20 1 H1 TYR 1 H1 TYR 1 46.370 9.523 -44.774 2 H2 TYR 1 H2 TYR 1 47.566 8.325 -44.762 3 H3 TYR 1 H3 TYR 1 47.382 9.323 -46.116 4 HA TYR 1 HA TYR 1 45.854 8.021 -47.005 5 1HB TYR 1 2HB TYR 1 45.835 5.738 -46.248 6 2HB TYR 1 1HB TYR 1 46.317 6.216 -44.624 7 HD1 TYR 1 HD1 TYR 1 47.656 7.055 -48.013 8 HD2 TYR 1 HD2 TYR 1 48.425 5.396 -44.172 9 HE1 TYR 1 HE1 TYR 1 50.016 6.746 -48.627 10 HE2 TYR 1 HE2 TYR 1 50.789 5.083 -44.774 11 HH TYR 1 HH TYR 1 52.096 4.792 -47.018 12 H GLY 2 H GLY 2 45.133 7.258 -43.598 13 1HA GLY 2 1HA GLY 2 42.987 8.786 -43.054 14 2HA GLY 2 2HA GLY 2 42.301 7.576 -44.127 15 H HIS 3 H HIS 3 42.875 5.251 -43.478 16 HA HIS 3 HA HIS 3 41.629 4.428 -41.277 17 1HB HIS 3 1HB HIS 3 43.760 3.311 -42.912 18 2HB HIS 3 2HB HIS 3 43.828 2.718 -41.256 19 HD1 HIS 3 HD1 HIS 3 42.626 1.588 -44.265 20 HD2 HIS 3 HD2 HIS 3 40.796 2.095 -40.570 21 HE1 HIS 3 HE1 HIS 3 40.626 0.067 -44.293 22 HE2 HIS 3 HE2 HIS 3 39.486 0.453 -42.079 23 H CYS 4 H CYS 4 41.742 4.761 -39.161 24 HA CYS 4 HA CYS 4 44.289 5.708 -38.034 25 1HB CYS 4 1HB CYS 4 42.458 6.222 -36.077 26 2HB CYS 4 2HB CYS 4 42.950 7.366 -37.313 27 H VAL 5 H VAL 5 45.039 4.880 -36.051 28 HA VAL 5 HA VAL 5 43.723 2.498 -34.987 29 HB VAL 5 HB VAL 5 46.635 2.171 -35.312 30 1HG1 VAL 5 1HG1 VAL 5 44.185 0.452 -35.498 31 2HG1 VAL 5 2HG1 VAL 5 45.765 -0.137 -36.017 32 3HG1 VAL 5 3HG1 VAL 5 45.517 0.366 -34.344 33 1HG2 VAL 5 1HG2 VAL 5 44.787 2.336 -37.660 34 2HG2 VAL 5 2HG2 VAL 5 46.428 2.960 -37.482 35 3HG2 VAL 5 3HG2 VAL 5 46.159 1.228 -37.680 36 H THR 6 H THR 6 43.721 2.581 -32.838 37 HA THR 6 HA THR 6 45.016 4.630 -31.393 38 HB THR 6 HB THR 6 43.995 3.799 -29.482 39 HG1 THR 6 HG1 THR 6 43.762 1.669 -29.039 40 1HG2 THR 6 1HG2 THR 6 42.524 3.665 -31.903 41 2HG2 THR 6 2HG2 THR 6 41.982 2.340 -30.874 42 3HG2 THR 6 3HG2 THR 6 41.926 3.999 -30.278 43 H ASP 7 H ASP 7 45.658 1.138 -31.598 44 HA ASP 7 HA ASP 7 48.468 1.598 -31.148 45 1HB ASP 7 1HB ASP 7 46.723 0.770 -28.980 46 2HB ASP 7 2HB ASP 7 47.985 -0.418 -29.287 47 H SER 8 H SER 8 46.063 -1.016 -30.971 48 HA SER 8 HA SER 8 46.770 -2.261 -33.361 49 1HB SER 8 1HB SER 8 48.153 -4.111 -32.672 50 2HB SER 8 2HB SER 8 48.938 -2.622 -32.145 51 HG SER 8 HG SER 8 47.606 -4.572 -30.622 52 H GLY 9 H GLY 9 44.475 -1.672 -31.710 53 1HA GLY 9 1HA GLY 9 43.376 -4.400 -31.517 54 2HA GLY 9 2HA GLY 9 43.070 -3.223 -30.253 55 H VAL 10 H VAL 10 42.621 -0.954 -31.785 56 HA VAL 10 HA VAL 10 40.190 -1.694 -33.279 57 HB VAL 10 HB VAL 10 40.593 0.830 -31.672 58 1HG1 VAL 10 1HG1 VAL 10 38.161 -0.309 -33.046 59 2HG1 VAL 10 2HG1 VAL 10 38.179 1.130 -32.028 60 3HG1 VAL 10 3HG1 VAL 10 39.076 1.113 -33.547 61 1HG2 VAL 10 1HG2 VAL 10 39.790 -1.828 -30.858 62 2HG2 VAL 10 2HG2 VAL 10 40.142 -0.406 -29.875 63 3HG2 VAL 10 3HG2 VAL 10 38.526 -0.639 -30.541 64 H VAL 11 H VAL 11 40.562 -1.386 -35.374 65 HA VAL 11 HA VAL 11 42.363 0.725 -36.262 66 HB VAL 11 HB VAL 11 40.931 -1.397 -37.866 67 1HG1 VAL 11 1HG1 VAL 11 42.926 0.717 -38.602 68 2HG1 VAL 11 2HG1 VAL 11 42.755 -0.760 -39.549 69 3HG1 VAL 11 3HG1 VAL 11 41.385 0.334 -39.367 70 1HG2 VAL 11 1HG2 VAL 11 43.376 -1.422 -36.286 71 2HG2 VAL 11 2HG2 VAL 11 42.452 -2.763 -36.964 72 3HG2 VAL 11 3HG2 VAL 11 43.633 -1.913 -37.960 73 H TYR 12 H TYR 12 41.114 2.566 -35.822 74 HA TYR 12 HA TYR 12 38.462 2.902 -36.801 75 1HB TYR 12 1HB TYR 12 40.531 4.883 -35.838 76 2HB TYR 12 2HB TYR 12 38.889 5.334 -36.281 77 HD1 TYR 12 HD1 TYR 12 36.980 4.109 -35.023 78 HD2 TYR 12 HD2 TYR 12 41.008 4.247 -33.665 79 HE1 TYR 12 HE1 TYR 12 36.221 3.574 -32.745 80 HE2 TYR 12 HE2 TYR 12 40.256 3.712 -31.381 81 HH TYR 12 HH TYR 12 36.885 2.951 -30.681 82 H SER 13 H SER 13 38.054 4.966 -38.214 83 HA SER 13 HA SER 13 39.838 4.843 -40.552 84 1HB SER 13 1HB SER 13 36.910 4.497 -40.354 85 2HB SER 13 2HB SER 13 37.465 5.527 -41.672 86 HG SER 13 HG SER 13 38.931 3.239 -41.418 87 H VAL 14 H VAL 14 39.914 6.753 -41.867 88 HA VAL 14 HA VAL 14 40.412 9.095 -40.552 89 HB VAL 14 HB VAL 14 41.165 8.940 -42.776 90 1HG1 VAL 14 1HG1 VAL 14 38.816 7.592 -43.263 91 2HG1 VAL 14 2HG1 VAL 14 38.643 9.066 -44.215 92 3HG1 VAL 14 3HG1 VAL 14 40.037 8.015 -44.464 93 1HG2 VAL 14 1HG2 VAL 14 40.025 11.181 -41.916 94 2HG2 VAL 14 2HG2 VAL 14 40.731 11.046 -43.527 95 3HG2 VAL 14 3HG2 VAL 14 38.988 10.882 -43.311 96 H GLY 15 H GLY 15 38.794 9.491 -38.992 97 1HA GLY 15 1HA GLY 15 37.142 11.176 -38.550 98 2HA GLY 15 2HA GLY 15 36.437 10.838 -40.121 99 H MET 16 H MET 16 37.360 8.591 -37.544 100 HA MET 16 HA MET 16 34.625 7.539 -37.603 101 1HB MET 16 1HB MET 16 37.226 6.354 -37.326 102 2HB MET 16 2HB MET 16 36.248 5.953 -35.923 103 1HG MET 16 1HG MET 16 34.953 5.660 -38.558 104 2HG MET 16 2HG MET 16 36.245 4.522 -38.178 105 1HE MET 16 1HE MET 16 35.711 2.484 -37.660 106 2HE MET 16 2HE MET 16 35.898 2.617 -35.912 107 3HE MET 16 3HE MET 16 34.462 1.850 -36.589 108 H GLN 17 H GLN 17 36.988 9.031 -35.508 109 HA GLN 17 HA GLN 17 36.870 9.885 -33.405 110 1HB GLN 17 1HB GLN 17 34.094 10.137 -34.445 111 2HB GLN 17 2HB GLN 17 34.337 10.392 -32.722 112 1HG GLN 17 1HG GLN 17 36.144 12.043 -33.362 113 2HG GLN 17 2HG GLN 17 35.531 11.923 -35.009 114 2HE2 GLN 17 1HE2 GLN 17 34.015 12.127 -31.804 115 1HE2 GLN 17 2HE2 GLN 17 32.995 13.468 -32.185 116 H TRP 18 H TRP 18 36.636 9.249 -31.263 117 HA TRP 18 HA TRP 18 34.856 7.188 -30.455 118 1HB TRP 18 1HB TRP 18 36.361 5.376 -30.110 119 2HB TRP 18 2HB TRP 18 36.586 5.906 -31.773 120 HD1 TRP 18 HD1 TRP 18 38.325 6.111 -28.333 121 HE1 TRP 18 HE1 TRP 18 40.838 6.454 -28.728 122 HE3 TRP 18 HE3 TRP 18 38.292 6.684 -33.425 123 HZ2 TRP 18 HZ2 TRP 18 42.583 6.913 -30.901 124 HZ3 TRP 18 HZ3 TRP 18 40.427 7.066 -34.576 125 HH2 TRP 18 HH2 TRP 18 42.525 7.175 -33.340 126 H LEU 19 H LEU 19 35.818 6.236 -28.224 127 HA LEU 19 HA LEU 19 36.702 8.593 -26.695 128 1HB LEU 19 1HB LEU 19 34.910 6.326 -25.818 129 2HB LEU 19 2HB LEU 19 35.473 7.622 -24.779 130 HG LEU 19 HG LEU 19 33.310 8.274 -25.340 131 1HD1 LEU 19 1HD1 LEU 19 34.997 10.042 -25.738 132 2HD1 LEU 19 2HD1 LEU 19 35.005 9.602 -27.446 133 3HD1 LEU 19 3HD1 LEU 19 33.535 10.237 -26.707 134 1HD2 LEU 19 1HD2 LEU 19 33.927 6.987 -27.935 135 2HD2 LEU 19 2HD2 LEU 19 32.463 6.921 -26.954 136 3HD2 LEU 19 3HD2 LEU 19 32.791 8.335 -27.954 137 H LYS 20 H LYS 20 38.762 8.361 -26.170 138 HA LYS 20 HA LYS 20 39.917 5.729 -25.806 139 1HB LYS 20 1HB LYS 20 41.150 7.454 -27.035 140 2HB LYS 20 2HB LYS 20 41.169 8.472 -25.601 141 1HG LYS 20 1HG LYS 20 43.232 7.549 -25.430 142 2HG LYS 20 2HG LYS 20 42.306 6.335 -24.545 143 1HD LYS 20 1HD LYS 20 42.300 5.785 -27.378 144 2HD LYS 20 2HD LYS 20 43.948 5.916 -26.760 145 1HE LYS 20 1HE LYS 20 42.917 4.409 -24.825 146 2HE LYS 20 2HE LYS 20 41.827 3.939 -26.130 147 1HZ LYS 20 1HZ LYS 20 44.774 3.882 -26.423 148 2HZ LYS 20 2HZ LYS 20 43.893 2.556 -25.853 149 3HZ LYS 20 3HZ LYS 20 43.614 3.150 -27.412 150 H THR 21 H THR 21 40.917 4.980 -23.925 151 HA THR 21 HA THR 21 40.452 6.488 -21.455 152 HB THR 21 HB THR 21 39.954 3.754 -20.856 153 HG1 THR 21 HG1 THR 21 39.258 3.438 -22.974 154 1HG2 THR 21 1HG2 THR 21 38.515 6.352 -20.689 155 2HG2 THR 21 2HG2 THR 21 37.579 4.875 -20.461 156 3HG2 THR 21 3HG2 THR 21 38.954 5.219 -19.410 157 H GLN 22 H GLN 22 42.103 6.369 -20.062 158 HA GLN 22 HA GLN 22 44.414 4.778 -20.791 159 1HB GLN 22 2HB GLN 22 45.632 6.082 -19.218 160 2HB GLN 22 1HB GLN 22 44.163 6.603 -18.404 161 1HG GLN 22 1HG GLN 22 43.682 7.560 -20.863 162 2HG GLN 22 2HG GLN 22 44.495 8.474 -19.593 163 2HE2 GLN 22 1HE2 GLN 22 45.961 9.658 -20.618 164 1HE2 GLN 22 2HE2 GLN 22 47.150 9.053 -21.716 165 H GLY 23 H GLY 23 41.700 4.322 -18.903 166 1HA GLY 23 1HA GLY 23 41.443 2.107 -17.912 167 2HA GLY 23 2HA GLY 23 43.093 2.253 -17.326 168 H ASN 24 H ASN 24 42.282 5.202 -16.747 169 HA ASN 24 HA ASN 24 40.736 4.684 -14.301 170 1HB ASN 24 1HB ASN 24 43.450 5.877 -14.559 171 2HB ASN 24 2HB ASN 24 42.361 6.587 -13.372 172 2HD2 ASN 24 1HD2 ASN 24 44.842 4.697 -13.452 173 1HD2 ASN 24 2HD2 ASN 24 44.437 3.505 -12.269 174 H LYS 25 H LYS 25 41.865 7.024 -16.685 175 HA LYS 25 HA LYS 25 39.622 8.780 -15.928 176 1HB LYS 25 2HB LYS 25 40.942 10.590 -16.134 177 2HB LYS 25 1HB LYS 25 41.683 9.990 -17.611 178 1HG LYS 25 1HG LYS 25 43.111 8.507 -16.201 179 2HG LYS 25 2HG LYS 25 43.397 10.235 -15.987 180 1HD LYS 25 1HD LYS 25 41.590 8.625 -14.195 181 2HD LYS 25 2HD LYS 25 43.307 8.870 -13.868 182 1HE LYS 25 1HE LYS 25 42.994 11.255 -13.750 183 2HE LYS 25 2HE LYS 25 41.309 11.096 -14.247 184 1HZ LYS 25 1HZ LYS 25 41.863 9.503 -11.957 185 2HZ LYS 25 2HZ LYS 25 42.272 11.119 -11.674 186 3HZ LYS 25 3HZ LYS 25 40.703 10.718 -12.161 187 H GLN 26 H GLN 26 39.361 10.368 -18.063 188 HA GLN 26 HA GLN 26 38.726 8.496 -20.246 189 1HB GLN 26 1HB GLN 26 37.178 10.616 -18.943 190 2HB GLN 26 2HB GLN 26 37.151 10.702 -20.699 191 1HG GLN 26 1HG GLN 26 35.929 8.824 -20.912 192 2HG GLN 26 2HG GLN 26 36.696 8.036 -19.532 193 2HE2 GLN 26 1HE2 GLN 26 36.202 9.471 -17.429 194 1HE2 GLN 26 2HE2 GLN 26 34.513 9.728 -17.173 195 H MET 27 H MET 27 38.591 9.560 -22.424 196 HA MET 27 HA MET 27 40.037 11.963 -22.922 197 1HB MET 27 1HB MET 27 41.710 9.891 -22.395 198 2HB MET 27 2HB MET 27 41.513 9.708 -24.132 199 1HG MET 27 1HG MET 27 41.956 12.408 -23.820 200 2HG MET 27 2HG MET 27 43.018 11.672 -22.623 201 1HE MET 27 1HE MET 27 43.682 8.936 -23.838 202 2HE MET 27 2HE MET 27 45.077 9.185 -24.889 203 3HE MET 27 3HE MET 27 45.034 9.929 -23.290 204 H LEU 28 H LEU 28 38.974 12.747 -24.606 205 HA LEU 28 HA LEU 28 37.529 11.025 -26.412 206 1HB LEU 28 1HB LEU 28 36.715 13.260 -25.567 207 2HB LEU 28 2HB LEU 28 37.920 14.009 -26.596 208 HG LEU 28 HG LEU 28 36.535 12.314 -28.309 209 1HD1 LEU 28 1HD1 LEU 28 34.669 13.632 -26.352 210 2HD1 LEU 28 2HD1 LEU 28 34.181 13.087 -27.956 211 3HD1 LEU 28 3HD1 LEU 28 34.769 11.922 -26.771 212 1HD2 LEU 28 1HD2 LEU 28 37.427 14.662 -28.628 213 2HD2 LEU 28 2HD2 LEU 28 35.877 14.307 -29.391 214 3HD2 LEU 28 3HD2 LEU 28 35.930 15.231 -27.889 215 H CYS 29 H CYS 29 38.575 10.022 -28.013 216 HA CYS 29 HA CYS 29 40.883 11.349 -29.241 217 1HB CYS 29 1HB CYS 29 40.096 8.533 -28.803 218 2HB CYS 29 2HB CYS 29 40.938 8.874 -30.310 219 H THR 30 H THR 30 41.149 11.380 -31.507 220 HA THR 30 HA THR 30 38.979 10.657 -33.257 221 HB THR 30 HB THR 30 39.607 13.583 -32.818 222 HG1 THR 30 HG1 THR 30 38.070 12.742 -31.355 223 1HG2 THR 30 1HG2 THR 30 38.274 12.128 -35.050 224 2HG2 THR 30 2HG2 THR 30 37.622 13.691 -34.562 225 3HG2 THR 30 3HG2 THR 30 39.299 13.562 -35.093 226 H CYS 31 H CYS 31 39.750 10.234 -35.263 227 HA CYS 31 HA CYS 31 42.543 10.947 -35.764 228 1HB CYS 31 1HB CYS 31 42.344 9.246 -37.630 229 2HB CYS 31 2HB CYS 31 42.215 8.616 -35.994 230 H LEU 32 H LEU 32 42.687 12.869 -36.680 231 HA LEU 32 HA LEU 32 40.727 13.856 -38.538 232 1HB LEU 32 1HB LEU 32 42.599 15.703 -38.740 233 2HB LEU 32 2HB LEU 32 41.542 15.614 -37.344 234 HG LEU 32 HG LEU 32 44.025 14.055 -37.095 235 1HD1 LEU 32 1HD1 LEU 32 44.181 16.708 -38.102 236 2HD1 LEU 32 2HD1 LEU 32 44.762 16.697 -36.436 237 3HD1 LEU 32 3HD1 LEU 32 45.486 15.618 -37.629 238 1HD2 LEU 32 1HD2 LEU 32 42.135 14.716 -35.380 239 2HD2 LEU 32 2HD2 LEU 32 43.821 14.584 -34.880 240 3HD2 LEU 32 3HD2 LEU 32 43.122 16.169 -35.208 241 H GLY 33 H GLY 33 44.085 14.467 -39.248 242 1HA GLY 33 1HA GLY 33 43.914 12.733 -41.619 243 2HA GLY 33 2HA GLY 33 44.304 14.433 -41.813 244 H ASN 34 H ASN 34 45.998 14.782 -39.622 245 HA ASN 34 HA ASN 34 48.430 13.769 -40.686 246 1HB ASN 34 1HB ASN 34 49.513 15.116 -39.130 247 2HB ASN 34 2HB ASN 34 47.979 15.956 -39.332 248 2HD2 ASN 34 1HD2 ASN 34 49.967 15.755 -37.092 249 1HD2 ASN 34 2HD2 ASN 34 49.021 15.329 -35.712 250 H GLY 35 H GLY 35 46.347 12.874 -38.019 251 1HA GLY 35 1HA GLY 35 47.287 10.220 -37.941 252 2HA GLY 35 2HA GLY 35 48.057 11.133 -36.651 253 H VAL 36 H VAL 36 47.035 11.183 -34.768 254 HA VAL 36 HA VAL 36 44.120 11.084 -34.704 255 HB VAL 36 HB VAL 36 45.918 8.973 -33.594 256 1HG1 VAL 36 1HG1 VAL 36 43.716 10.226 -32.101 257 2HG1 VAL 36 2HG1 VAL 36 43.648 8.466 -32.203 258 3HG1 VAL 36 3HG1 VAL 36 45.072 9.257 -31.524 259 1HG2 VAL 36 1HG2 VAL 36 44.272 8.911 -35.636 260 2HG2 VAL 36 2HG2 VAL 36 44.457 7.514 -34.574 261 3HG2 VAL 36 3HG2 VAL 36 43.079 8.596 -34.377 262 H SER 37 H SER 37 43.490 12.734 -33.524 263 HA SER 37 HA SER 37 45.183 13.634 -31.291 264 1HB SER 37 1HB SER 37 44.970 15.403 -32.881 265 2HB SER 37 2HB SER 37 43.235 15.132 -33.051 266 HG SER 37 HG SER 37 44.560 16.060 -30.717 267 H CYS 38 H CYS 38 44.200 14.143 -29.292 268 HA CYS 38 HA CYS 38 41.383 13.455 -28.983 269 1HB CYS 38 1HB CYS 38 43.306 12.252 -27.040 270 2HB CYS 38 2HB CYS 38 41.679 11.735 -27.460 271 H GLN 39 H GLN 39 40.576 13.930 -26.769 272 HA GLN 39 HA GLN 39 41.894 16.344 -25.724 273 1HB GLN 39 1HB GLN 39 39.029 15.485 -25.912 274 2HB GLN 39 2HB GLN 39 39.509 16.627 -24.665 275 1HG GLN 39 2HG GLN 39 40.653 17.764 -26.822 276 2HG GLN 39 1HG GLN 39 39.038 18.153 -26.232 277 2HE2 GLN 39 1HE2 GLN 39 37.230 17.160 -27.256 278 1HE2 GLN 39 2HE2 GLN 39 37.337 16.621 -28.893 279 H GLU 40 H GLU 40 43.176 15.732 -24.087 280 HA GLU 40 HA GLU 40 42.880 13.527 -22.434 281 1HB GLU 40 1HB GLU 40 44.330 14.957 -20.816 282 2HB GLU 40 2HB GLU 40 44.995 14.461 -22.367 283 1HG GLU 40 1HG GLU 40 44.972 16.573 -23.216 284 2HG GLU 40 2HG GLU 40 43.601 17.075 -22.226 285 H THR 41 H THR 41 41.562 13.035 -20.834 286 HA THR 41 HA THR 41 40.314 13.283 -18.915 287 HB THR 41 HB THR 41 40.304 16.272 -19.270 288 HG1 THR 41 HG1 THR 41 42.169 16.018 -17.688 289 1HG2 THR 41 1HG2 THR 41 39.127 14.554 -17.422 290 2HG2 THR 41 2HG2 THR 41 40.538 15.207 -16.589 291 3HG2 THR 41 3HG2 THR 41 39.328 16.299 -17.263 292 H ALA 42 H ALA 42 39.469 15.851 -21.241 293 HA ALA 42 HA ALA 42 37.397 16.543 -21.974 294 1HB ALA 42 1HB ALA 42 38.107 14.004 -22.980 295 2HB ALA 42 3HB ALA 42 37.070 15.221 -23.725 296 3HB ALA 42 2HB ALA 42 36.368 13.980 -22.688 297 H VAL 43 H VAL 43 36.238 17.261 -20.229 298 HA VAL 43 HA VAL 43 34.264 15.372 -19.149 299 HB VAL 43 HB VAL 43 34.515 16.164 -16.909 300 1HG1 VAL 43 1HG1 VAL 43 36.451 14.705 -18.209 301 2HG1 VAL 43 2HG1 VAL 43 37.382 15.929 -17.346 302 3HG1 VAL 43 3HG1 VAL 43 36.281 14.875 -16.462 303 1HG2 VAL 43 1HG2 VAL 43 35.529 18.474 -18.105 304 2HG2 VAL 43 2HG2 VAL 43 35.316 18.171 -16.381 305 3HG2 VAL 43 3HG2 VAL 43 36.862 17.818 -17.156 306 H THR 44 H THR 44 32.788 16.933 -17.564 307 HA THR 44 HA THR 44 32.168 19.416 -18.967 308 HB THR 44 HB THR 44 29.791 18.866 -19.190 309 HG1 THR 44 HG1 THR 44 29.808 17.231 -17.491 310 1HG2 THR 44 1HG2 THR 44 31.400 18.405 -21.048 311 2HG2 THR 44 2HG2 THR 44 31.468 16.729 -20.501 312 3HG2 THR 44 3HG2 THR 44 29.948 17.405 -21.085 313 H GLN 45 H GLN 45 30.045 20.350 -17.807 314 HA GLN 45 HA GLN 45 30.368 19.962 -14.909 315 1HB GLN 45 1HB GLN 45 29.994 22.636 -16.262 316 2HB GLN 45 2HB GLN 45 30.225 22.351 -14.544 317 1HG GLN 45 1HG GLN 45 32.331 21.329 -16.340 318 2HG GLN 45 2HG GLN 45 32.192 23.080 -16.198 319 2HE2 GLN 45 1HE2 GLN 45 33.047 20.137 -14.619 320 1HE2 GLN 45 2HE2 GLN 45 33.696 20.844 -13.182 321 H THR 46 H THR 46 28.300 21.617 -17.306 322 HA THR 46 HA THR 46 26.040 21.815 -17.489 323 HB THR 46 HB THR 46 24.743 19.917 -17.221 324 HG1 THR 46 HG1 THR 46 24.839 18.609 -15.486 325 1HG2 THR 46 1HG2 THR 46 27.002 19.530 -18.452 326 2HG2 THR 46 2HG2 THR 46 27.385 18.517 -17.060 327 3HG2 THR 46 3HG2 THR 46 25.983 18.145 -18.063 328 H TYR 47 H TYR 47 24.082 22.355 -16.329 329 HA TYR 47 HA TYR 47 24.010 22.435 -13.484 330 1HB TYR 47 1HB TYR 47 24.222 24.810 -13.125 331 2HB TYR 47 2HB TYR 47 25.667 24.245 -13.957 332 HD1 TYR 47 HD1 TYR 47 26.098 24.876 -16.270 333 HD2 TYR 47 HD2 TYR 47 22.629 26.263 -14.237 334 HE1 TYR 47 HE1 TYR 47 25.752 26.563 -18.025 335 HE2 TYR 47 HE2 TYR 47 22.271 27.954 -15.986 336 HH TYR 47 HH TYR 47 23.732 29.176 -17.691 337 H GLY 48 H GLY 48 21.924 22.248 -13.006 338 1HA GLY 48 1HA GLY 48 19.639 22.401 -13.140 339 2HA GLY 48 2HA GLY 48 19.905 23.981 -13.860 340 H GLY 49 H GLY 49 19.521 24.265 -15.994 341 1HA GLY 49 1HA GLY 49 18.815 23.795 -18.127 342 2HA GLY 49 2HA GLY 49 19.625 22.245 -17.953 343 H ASN 50 H ASN 50 18.396 20.481 -17.960 344 HA ASN 50 HA ASN 50 15.539 20.777 -17.311 345 1HB ASN 50 1HB ASN 50 16.600 20.157 -19.814 346 2HB ASN 50 2HB ASN 50 16.081 18.605 -19.164 347 2HD2 ASN 50 1HD2 ASN 50 14.044 18.076 -19.465 348 1HD2 ASN 50 2HD2 ASN 50 12.753 19.164 -19.825 349 H SER 51 H SER 51 18.402 19.353 -16.462 350 HA SER 51 HA SER 51 16.993 17.256 -14.975 351 1HB SER 51 2HB SER 51 18.519 15.565 -15.550 352 2HB SER 51 1HB SER 51 19.703 16.716 -16.167 353 HG SER 51 HG SER 51 17.277 16.790 -17.457 354 H ASN 52 H ASN 52 17.699 19.730 -13.961 355 HA ASN 52 HA ASN 52 18.939 20.811 -12.369 356 1HB ASN 52 1HB ASN 52 17.674 19.177 -11.041 357 2HB ASN 52 2HB ASN 52 18.968 18.001 -11.247 358 2HD2 ASN 52 1HD2 ASN 52 20.031 17.776 -9.426 359 1HD2 ASN 52 2HD2 ASN 52 20.512 19.048 -8.360 360 H GLY 53 H GLY 53 20.531 20.092 -14.571 361 1HA GLY 53 1HA GLY 53 22.741 19.992 -15.177 362 2HA GLY 53 2HA GLY 53 23.106 20.445 -13.520 363 H GLU 54 H GLU 54 21.363 17.523 -14.348 364 HA GLU 54 HA GLU 54 23.142 15.888 -12.870 365 1HB GLU 54 1HB GLU 54 20.800 15.393 -14.662 366 2HB GLU 54 2HB GLU 54 21.820 14.036 -14.212 367 1HG GLU 54 1HG GLU 54 19.995 15.678 -12.543 368 2HG GLU 54 2HG GLU 54 20.226 13.934 -12.586 369 HA PRO 55 HA PRO 55 26.272 14.618 -15.677 370 1HB PRO 55 1HB PRO 55 26.129 11.867 -15.594 371 2HB PRO 55 2HB PRO 55 26.914 12.863 -14.365 372 1HG PRO 55 1HG PRO 55 24.182 11.649 -14.359 373 2HG PRO 55 2HG PRO 55 25.357 11.771 -13.036 374 1HD PRO 55 1HD PRO 55 23.254 13.428 -13.200 375 2HD PRO 55 2HD PRO 55 24.831 13.990 -12.609 376 H CYS 56 H CYS 56 26.636 13.986 -17.802 377 HA CYS 56 HA CYS 56 24.288 13.785 -19.442 378 1HB CYS 56 1HB CYS 56 27.163 13.578 -20.331 379 2HB CYS 56 2HB CYS 56 25.766 14.005 -21.312 380 H VAL 57 H VAL 57 25.092 12.200 -21.540 381 HA VAL 57 HA VAL 57 25.788 9.566 -20.609 382 HB VAL 57 HB VAL 57 23.382 9.751 -19.974 383 1HG1 VAL 57 1HG1 VAL 57 23.052 11.122 -22.268 384 2HG1 VAL 57 2HG1 VAL 57 22.510 9.524 -22.779 385 3HG1 VAL 57 3HG1 VAL 57 21.738 10.320 -21.407 386 1HG2 VAL 57 1HG2 VAL 57 24.607 7.614 -20.752 387 2HG2 VAL 57 2HG2 VAL 57 22.847 7.587 -20.650 388 3HG2 VAL 57 3HG2 VAL 57 23.635 7.777 -22.216 389 H LEU 58 H LEU 58 27.182 10.886 -22.414 390 HA LEU 58 HA LEU 58 26.204 10.112 -25.061 391 1HB LEU 58 1HB LEU 58 28.595 11.338 -25.532 392 2HB LEU 58 2HB LEU 58 27.029 12.117 -25.582 393 HG LEU 58 HG LEU 58 28.657 13.427 -24.320 394 1HD1 LEU 58 1HD1 LEU 58 26.077 12.729 -23.511 395 2HD1 LEU 58 2HD1 LEU 58 27.055 12.741 -22.046 396 3HD1 LEU 58 3HD1 LEU 58 26.990 14.172 -23.073 397 1HD2 LEU 58 1HD2 LEU 58 29.170 10.848 -23.073 398 2HD2 LEU 58 2HD2 LEU 58 30.185 12.288 -23.163 399 3HD2 LEU 58 3HD2 LEU 58 28.957 12.152 -21.904 400 HA PRO 59 HA PRO 59 27.930 10.470 -27.047 401 1HB PRO 59 2HB PRO 59 28.792 9.519 -28.918 402 2HB PRO 59 1HB PRO 59 27.802 8.075 -28.725 403 1HG PRO 59 1HG PRO 59 29.854 7.147 -28.208 404 2HG PRO 59 2HG PRO 59 30.502 8.688 -27.615 405 1HD PRO 59 2HD PRO 59 30.097 7.645 -25.584 406 2HD PRO 59 1HD PRO 59 28.724 6.720 -26.229 407 H PHE 60 H PHE 60 25.936 11.078 -27.586 408 HA PHE 60 HA PHE 60 23.768 9.087 -27.390 409 1HB PHE 60 1HB PHE 60 22.293 11.111 -26.955 410 2HB PHE 60 2HB PHE 60 23.422 10.693 -25.669 411 HD1 PHE 60 HD1 PHE 60 22.730 13.054 -28.404 412 HD2 PHE 60 HD2 PHE 60 25.164 12.164 -25.033 413 HE1 PHE 60 HE1 PHE 60 23.637 15.340 -28.462 414 HE2 PHE 60 HE2 PHE 60 26.076 14.447 -25.081 415 HZ PHE 60 HZ PHE 60 25.313 16.036 -26.799 416 H THR 61 H THR 61 21.736 10.141 -28.670 417 HA THR 61 HA THR 61 22.770 10.971 -31.301 418 HB THR 61 HB THR 61 20.270 9.432 -31.380 419 HG1 THR 61 HG1 THR 61 21.004 7.613 -30.557 420 1HG2 THR 61 1HG2 THR 61 22.899 9.227 -32.853 421 2HG2 THR 61 2HG2 THR 61 21.426 8.350 -33.266 422 3HG2 THR 61 3HG2 THR 61 21.469 10.108 -33.390 423 H TYR 62 H TYR 62 21.836 12.695 -32.174 424 HA TYR 62 HA TYR 62 19.139 13.461 -31.393 425 1HB TYR 62 1HB TYR 62 20.454 14.651 -29.763 426 2HB TYR 62 2HB TYR 62 21.557 15.233 -31.006 427 HD1 TYR 62 HD1 TYR 62 18.031 15.442 -29.853 428 HD2 TYR 62 HD2 TYR 62 21.147 17.260 -32.104 429 HE1 TYR 62 HE1 TYR 62 16.649 17.459 -30.123 430 HE2 TYR 62 HE2 TYR 62 19.776 19.284 -32.381 431 HH TYR 62 HH TYR 62 17.370 19.896 -32.343 432 H ASN 63 H ASN 63 18.032 14.068 -33.127 433 HA ASN 63 HA ASN 63 17.508 14.909 -35.178 434 1HB ASN 63 1HB ASN 63 19.827 16.398 -34.401 435 2HB ASN 63 2HB ASN 63 19.924 16.047 -36.124 436 2HD2 ASN 63 1HD2 ASN 63 17.945 17.479 -33.611 437 1HD2 ASN 63 2HD2 ASN 63 17.052 18.529 -34.652 438 H GLY 64 H GLY 64 19.629 12.521 -34.568 439 1HA GLY 64 1HA GLY 64 19.603 10.674 -36.175 440 2HA GLY 64 2HA GLY 64 19.875 11.865 -37.436 441 H ARG 65 H ARG 65 21.826 13.149 -35.347 442 HA ARG 65 HA ARG 65 24.091 11.492 -36.199 443 1HB ARG 65 1HB ARG 65 25.492 13.443 -35.798 444 2HB ARG 65 2HB ARG 65 24.160 13.847 -36.869 445 1HG ARG 65 1HG ARG 65 23.123 14.467 -34.425 446 2HG ARG 65 2HG ARG 65 24.827 14.883 -34.226 447 1HD ARG 65 1HD ARG 65 24.677 16.643 -35.599 448 2HD ARG 65 2HD ARG 65 23.719 15.751 -36.780 449 HE ARG 65 HE ARG 65 22.191 16.439 -34.474 450 1HH1 ARG 65 1HH1 ARG 65 23.468 17.671 -37.468 451 2HH1 ARG 65 2HH1 ARG 65 22.263 18.905 -37.627 452 1HH2 ARG 65 1HH2 ARG 65 20.598 18.067 -34.670 453 2HH2 ARG 65 2HH2 ARG 65 20.633 19.129 -36.037 454 H THR 66 H THR 66 25.994 12.394 -34.359 455 HA THR 66 HA THR 66 24.977 11.559 -31.743 456 HB THR 66 HB THR 66 27.444 10.311 -32.961 457 HG1 THR 66 HG1 THR 66 25.194 9.739 -33.817 458 1HG2 THR 66 1HG2 THR 66 27.083 10.550 -30.394 459 2HG2 THR 66 2HG2 THR 66 25.905 9.259 -30.618 460 3HG2 THR 66 3HG2 THR 66 27.593 8.997 -31.054 461 H PHE 67 H PHE 67 26.296 12.170 -29.966 462 HA PHE 67 HA PHE 67 28.535 13.963 -30.564 463 1HB PHE 67 1HB PHE 67 26.448 14.726 -28.534 464 2HB PHE 67 2HB PHE 67 27.693 15.739 -29.259 465 HD1 PHE 67 HD1 PHE 67 24.688 13.741 -30.203 466 HD2 PHE 67 HD2 PHE 67 27.123 17.146 -30.986 467 HE1 PHE 67 HE1 PHE 67 23.084 14.494 -31.909 468 HE2 PHE 67 HE2 PHE 67 25.522 17.902 -32.693 469 HZ PHE 67 HZ PHE 67 23.501 16.575 -33.157 470 H TYR 68 H TYR 68 30.230 13.691 -29.243 471 HA TYR 68 HA TYR 68 30.071 11.678 -27.181 472 1HB TYR 68 1HB TYR 68 32.320 13.273 -28.386 473 2HB TYR 68 2HB TYR 68 32.570 12.254 -26.972 474 HD1 TYR 68 HD1 TYR 68 30.080 10.812 -28.977 475 HD2 TYR 68 HD2 TYR 68 34.293 11.323 -28.740 476 HE1 TYR 68 HE1 TYR 68 30.392 8.863 -30.446 477 HE2 TYR 68 HE2 TYR 68 34.620 9.381 -30.205 478 HH TYR 68 HH TYR 68 32.524 8.164 -32.146 479 H SER 69 H SER 69 29.442 14.932 -27.207 480 HA SER 69 HA SER 69 29.479 15.093 -24.354 481 1HB SER 69 1HB SER 69 31.790 16.061 -25.812 482 2HB SER 69 2HB SER 69 31.011 17.360 -24.909 483 HG SER 69 HG SER 69 32.245 16.498 -23.390 484 H CYS 70 H CYS 70 29.399 17.761 -23.921 485 HA CYS 70 HA CYS 70 26.819 18.492 -24.537 486 1HB CYS 70 2HB CYS 70 27.325 20.610 -23.615 487 2HB CYS 70 1HB CYS 70 29.010 20.514 -24.109 488 H THR 71 H THR 71 25.985 20.214 -25.883 489 HA THR 71 HA THR 71 27.549 21.164 -28.106 490 HB THR 71 HB THR 71 26.922 18.862 -28.844 491 HG1 THR 71 HG1 THR 71 26.668 19.619 -30.833 492 1HG2 THR 71 1HG2 THR 71 24.519 19.359 -27.665 493 2HG2 THR 71 2HG2 THR 71 24.135 19.633 -29.364 494 3HG2 THR 71 3HG2 THR 71 24.807 18.085 -28.850 495 H THR 72 H THR 72 25.774 22.103 -29.807 496 HA THR 72 HA THR 72 23.621 23.400 -28.300 497 HB THR 72 HB THR 72 24.177 25.602 -29.180 498 HG1 THR 72 HG1 THR 72 25.446 25.663 -30.869 499 1HG2 THR 72 1HG2 THR 72 25.136 24.828 -27.011 500 2HG2 THR 72 2HG2 THR 72 26.613 24.395 -27.872 501 3HG2 THR 72 3HG2 THR 72 26.091 26.077 -27.809 502 H GLU 73 H GLU 73 23.818 21.329 -30.415 503 HA GLU 73 HA GLU 73 22.849 22.550 -32.833 504 1HB GLU 73 2HB GLU 73 22.566 20.244 -33.621 505 2HB GLU 73 1HB GLU 73 22.883 19.644 -31.998 506 1HG GLU 73 1HG GLU 73 25.012 21.369 -32.853 507 2HG GLU 73 2HG GLU 73 25.068 19.683 -32.341 508 H GLY 74 H GLY 74 21.470 21.051 -29.994 509 1HA GLY 74 1HA GLY 74 18.780 21.544 -31.115 510 2HA GLY 74 2HA GLY 74 19.137 20.206 -30.038 511 H ARG 75 H ARG 75 19.424 23.746 -30.136 512 HA ARG 75 HA ARG 75 18.055 23.931 -27.590 513 1HB ARG 75 1HB ARG 75 19.865 25.369 -26.613 514 2HB ARG 75 2HB ARG 75 20.271 23.667 -26.757 515 1HG ARG 75 1HG ARG 75 21.771 24.039 -28.483 516 2HG ARG 75 2HG ARG 75 21.055 25.594 -28.902 517 1HD ARG 75 1HD ARG 75 21.885 25.878 -26.263 518 2HD ARG 75 2HD ARG 75 23.180 24.972 -27.042 519 HE ARG 75 HE ARG 75 22.326 27.245 -28.568 520 1HH1 ARG 75 1HH1 ARG 75 24.374 26.181 -25.962 521 2HH1 ARG 75 2HH1 ARG 75 25.492 27.491 -26.130 522 1HH2 ARG 75 1HH2 ARG 75 23.799 28.972 -28.806 523 2HH2 ARG 75 2HH2 ARG 75 25.166 29.079 -27.748 524 H GLN 76 H GLN 76 17.437 26.096 -27.041 525 HA GLN 76 HA GLN 76 17.668 28.049 -29.219 526 1HB GLN 76 2HB GLN 76 15.336 28.534 -29.201 527 2HB GLN 76 1HB GLN 76 15.070 27.547 -27.771 528 1HG GLN 76 1HG GLN 76 16.132 26.239 -30.217 529 2HG GLN 76 2HG GLN 76 15.104 25.587 -28.941 530 2HE2 GLN 76 1HE2 GLN 76 14.264 24.902 -31.271 531 1HE2 GLN 76 2HE2 GLN 76 12.932 25.851 -31.828 532 H ASP 77 H ASP 77 18.924 27.741 -26.564 533 HA ASP 77 HA ASP 77 17.922 30.212 -25.310 534 1HB ASP 77 1HB ASP 77 18.322 27.653 -24.170 535 2HB ASP 77 2HB ASP 77 19.570 28.707 -23.512 536 H GLY 78 H GLY 78 20.864 28.265 -25.731 537 1HA GLY 78 1HA GLY 78 22.713 29.513 -26.884 538 2HA GLY 78 2HA GLY 78 22.402 30.788 -25.716 539 H HIS 79 H HIS 79 22.019 27.719 -24.366 540 HA HIS 79 HA HIS 79 24.744 27.825 -23.249 541 1HB HIS 79 2HB HIS 79 23.958 27.429 -21.138 542 2HB HIS 79 1HB HIS 79 22.585 26.489 -21.710 543 HD1 HIS 79 HD1 HIS 79 23.263 30.039 -22.782 544 HD2 HIS 79 HD2 HIS 79 20.639 27.900 -20.374 545 HE1 HIS 79 HE1 HIS 79 21.470 31.674 -22.124 546 HE2 HIS 79 HE2 HIS 79 19.948 30.383 -20.586 547 H LEU 80 H LEU 80 25.980 26.115 -23.689 548 HA LEU 80 HA LEU 80 25.366 23.994 -25.279 549 1HB LEU 80 1HB LEU 80 27.330 24.294 -23.035 550 2HB LEU 80 2HB LEU 80 27.188 22.768 -23.876 551 HG LEU 80 HG LEU 80 27.987 23.662 -25.893 552 1HD1 LEU 80 1HD1 LEU 80 26.538 25.730 -25.709 553 2HD1 LEU 80 2HD1 LEU 80 27.853 26.451 -24.781 554 3HD1 LEU 80 3HD1 LEU 80 28.124 25.947 -26.449 555 1HD2 LEU 80 1HD2 LEU 80 29.706 23.375 -24.154 556 2HD2 LEU 80 2HD2 LEU 80 30.119 24.652 -25.302 557 3HD2 LEU 80 3HD2 LEU 80 29.508 25.069 -23.699 558 H TRP 81 H TRP 81 24.504 21.955 -25.035 559 HA TRP 81 HA TRP 81 23.532 21.227 -22.360 560 1HB TRP 81 1HB TRP 81 21.393 20.500 -23.323 561 2HB TRP 81 2HB TRP 81 21.659 22.222 -23.579 562 HD1 TRP 81 HD1 TRP 81 22.019 23.055 -26.083 563 HE1 TRP 81 HE1 TRP 81 21.548 21.944 -28.358 564 HE3 TRP 81 HE3 TRP 81 21.419 18.219 -24.525 565 HZ2 TRP 81 HZ2 TRP 81 20.998 19.361 -29.360 566 HZ3 TRP 81 HZ3 TRP 81 20.923 16.491 -26.204 567 HH2 TRP 81 HH2 TRP 81 20.717 17.053 -28.571 568 H CYS 82 H CYS 82 22.778 18.938 -22.275 569 HA CYS 82 HA CYS 82 23.920 17.125 -24.223 570 1HB CYS 82 2HB CYS 82 25.760 17.731 -22.556 571 2HB CYS 82 1HB CYS 82 25.433 16.017 -22.783 572 H SER 83 H SER 83 23.537 14.768 -23.392 573 HA SER 83 HA SER 83 20.801 14.718 -22.327 574 1HB SER 83 1HB SER 83 20.664 13.576 -24.322 575 2HB SER 83 2HB SER 83 22.322 12.985 -24.220 576 HG SER 83 HG SER 83 20.344 11.527 -23.788 577 H THR 84 H THR 84 20.314 13.709 -20.458 578 HA THR 84 HA THR 84 22.539 12.623 -18.907 579 HB THR 84 HB THR 84 21.316 13.034 -16.963 580 HG1 THR 84 HG1 THR 84 19.216 12.738 -16.863 581 1HG2 THR 84 1HG2 THR 84 21.142 15.095 -19.032 582 2HG2 THR 84 2HG2 THR 84 19.966 15.292 -17.733 583 3HG2 THR 84 3HG2 THR 84 21.687 15.211 -17.358 584 H THR 85 H THR 85 19.804 11.618 -20.672 585 HA THR 85 HA THR 85 20.050 8.906 -19.546 586 HB THR 85 HB THR 85 17.570 10.379 -20.417 587 HG1 THR 85 HG1 THR 85 18.621 9.357 -18.054 588 1HG2 THR 85 1HG2 THR 85 18.148 7.495 -20.565 589 2HG2 THR 85 2HG2 THR 85 16.647 7.922 -19.744 590 3HG2 THR 85 3HG2 THR 85 16.926 8.454 -21.402 591 H SER 86 H SER 86 20.390 7.284 -20.967 592 HA SER 86 HA SER 86 21.454 7.576 -23.422 593 1HB SER 86 2HB SER 86 20.933 5.419 -21.994 594 2HB SER 86 1HB SER 86 21.196 5.297 -23.733 595 HG SER 86 HG SER 86 19.055 4.576 -22.358 596 H ASN 87 H ASN 87 18.034 7.593 -22.652 597 HA ASN 87 HA ASN 87 17.420 8.135 -25.479 598 1HB ASN 87 1HB ASN 87 16.214 6.391 -23.600 599 2HB ASN 87 2HB ASN 87 15.062 7.689 -23.906 600 2HD2 ASN 87 1HD2 ASN 87 14.256 5.320 -24.663 601 1HD2 ASN 87 2HD2 ASN 87 14.353 5.111 -26.374 602 H TYR 88 H TYR 88 17.810 10.329 -25.522 603 HA TYR 88 HA TYR 88 16.645 12.078 -23.541 604 1HB TYR 88 1HB TYR 88 18.666 12.935 -24.277 605 2HB TYR 88 2HB TYR 88 18.396 12.430 -25.940 606 HD1 TYR 88 HD1 TYR 88 17.312 14.903 -23.387 607 HD2 TYR 88 HD2 TYR 88 17.551 13.941 -27.523 608 HE1 TYR 88 HE1 TYR 88 16.579 17.181 -23.953 609 HE2 TYR 88 HE2 TYR 88 16.819 16.215 -28.102 610 HH TYR 88 HH TYR 88 15.386 18.072 -26.811 611 H GLU 89 H GLU 89 15.932 10.992 -26.787 612 HA GLU 89 HA GLU 89 13.953 12.966 -27.339 613 1HB GLU 89 1HB GLU 89 14.458 10.260 -28.584 614 2HB GLU 89 2HB GLU 89 13.307 11.437 -29.202 615 1HG GLU 89 1HG GLU 89 15.863 12.676 -28.846 616 2HG GLU 89 2HG GLU 89 16.033 11.207 -29.806 617 H GLN 90 H GLN 90 13.968 10.541 -25.121 618 HA GLN 90 HA GLN 90 11.041 10.250 -25.240 619 1HB GLN 90 1HB GLN 90 11.708 8.068 -25.557 620 2HB GLN 90 2HB GLN 90 13.190 8.275 -24.635 621 1HG GLN 90 1HG GLN 90 11.721 6.799 -23.451 622 2HG GLN 90 2HG GLN 90 11.858 8.317 -22.562 623 2HE2 GLN 90 1HE2 GLN 90 9.822 6.904 -21.815 624 1HE2 GLN 90 2HE2 GLN 90 8.328 7.474 -22.471 625 H ASP 91 H ASP 91 13.839 10.326 -23.068 626 HA ASP 91 HA ASP 91 12.217 10.821 -20.745 627 1HB ASP 91 1HB ASP 91 15.205 10.870 -21.196 628 2HB ASP 91 2HB ASP 91 14.457 11.185 -19.633 629 H GLN 92 H GLN 92 14.274 12.716 -22.887 630 HA GLN 92 HA GLN 92 14.407 14.954 -23.281 631 1HB GLN 92 1HB GLN 92 11.772 14.726 -21.903 632 2HB GLN 92 2HB GLN 92 12.462 16.329 -22.117 633 1HG GLN 92 2HG GLN 92 11.025 15.951 -23.948 634 2HG GLN 92 1HG GLN 92 11.694 14.346 -24.235 635 2HE2 GLN 92 1HE2 GLN 92 12.204 17.769 -24.570 636 1HE2 GLN 92 2HE2 GLN 92 13.510 17.670 -25.698 637 H LYS 93 H LYS 93 15.675 13.700 -20.941 638 HA LYS 93 HA LYS 93 15.730 15.926 -19.033 639 1HB LYS 93 1HB LYS 93 16.516 13.042 -18.894 640 2HB LYS 93 2HB LYS 93 17.273 14.190 -17.798 641 1HG LYS 93 1HG LYS 93 15.319 13.045 -16.823 642 2HG LYS 93 2HG LYS 93 15.143 14.800 -16.874 643 1HD LYS 93 1HD LYS 93 13.452 14.719 -18.380 644 2HD LYS 93 2HD LYS 93 14.125 13.318 -19.216 645 1HE LYS 93 1HE LYS 93 12.517 13.376 -16.675 646 2HE LYS 93 2HE LYS 93 12.115 12.589 -18.201 647 1HZ LYS 93 1HZ LYS 93 14.503 11.483 -17.479 648 2HZ LYS 93 2HZ LYS 93 13.670 11.613 -16.012 649 3HZ LYS 93 3HZ LYS 93 12.980 10.766 -17.304 650 H TYR 94 H TYR 94 16.874 17.264 -20.603 651 HA TYR 94 HA TYR 94 19.643 16.506 -21.136 652 1HB TYR 94 1HB TYR 94 19.694 18.217 -22.748 653 2HB TYR 94 2HB TYR 94 18.071 17.549 -22.878 654 HD1 TYR 94 HD1 TYR 94 19.964 20.313 -21.238 655 HD2 TYR 94 HD2 TYR 94 16.233 18.971 -22.779 656 HE1 TYR 94 HE1 TYR 94 19.022 22.560 -20.894 657 HE2 TYR 94 HE2 TYR 94 15.280 21.213 -22.442 658 HH TYR 94 HH TYR 94 15.682 23.314 -21.839 659 H SER 95 H SER 95 21.384 18.009 -20.714 660 HA SER 95 HA SER 95 20.887 19.690 -18.345 661 1HB SER 95 2HB SER 95 22.473 18.563 -17.229 662 2HB SER 95 1HB SER 95 23.640 18.880 -18.512 663 HG SER 95 HG SER 95 23.466 16.710 -18.462 664 H PHE 96 H PHE 96 23.268 20.984 -18.132 665 HA PHE 96 HA PHE 96 23.435 22.445 -20.681 666 1HB PHE 96 1HB PHE 96 23.338 23.379 -17.854 667 2HB PHE 96 2HB PHE 96 24.313 24.305 -18.991 668 HD1 PHE 96 HD1 PHE 96 22.652 23.948 -21.447 669 HD2 PHE 96 HD2 PHE 96 21.562 24.847 -17.434 670 HE1 PHE 96 HE1 PHE 96 20.628 25.083 -22.258 671 HE2 PHE 96 HE2 PHE 96 19.531 25.981 -18.237 672 HZ PHE 96 HZ PHE 96 19.065 26.099 -20.653 673 H CYS 97 H CYS 97 25.620 23.974 -20.353 674 HA CYS 97 HA CYS 97 27.859 22.538 -19.304 675 1HB CYS 97 1HB CYS 97 27.022 21.615 -21.747 676 2HB CYS 97 2HB CYS 97 28.239 22.800 -22.202 677 H THR 98 H THR 98 27.993 24.693 -18.356 678 HA THR 98 HA THR 98 28.523 26.950 -20.038 679 HB THR 98 HB THR 98 27.614 27.558 -17.988 680 HG1 THR 98 HG1 THR 98 29.061 29.034 -17.435 681 1HG2 THR 98 1HG2 THR 98 29.628 25.697 -16.751 682 2HG2 THR 98 2HG2 THR 98 28.707 26.866 -15.805 683 3HG2 THR 98 3HG2 THR 98 27.869 25.592 -16.690 684 H ASP 99 H ASP 99 30.568 28.274 -19.535 685 HA ASP 99 HA ASP 99 32.873 28.449 -19.351 686 1HB ASP 99 1HB ASP 99 32.735 26.314 -17.930 687 2HB ASP 99 2HB ASP 99 33.077 25.447 -19.426 688 H HIS 100 H HIS 100 31.162 26.392 -21.514 689 HA HIS 100 HA HIS 100 31.279 26.122 -23.774 690 1HB HIS 100 1HB HIS 100 33.433 28.238 -23.588 691 2HB HIS 100 2HB HIS 100 32.774 27.612 -25.095 692 HD1 HIS 100 HD1 HIS 100 29.759 27.605 -24.114 693 HD2 HIS 100 HD2 HIS 100 32.415 30.791 -23.851 694 HE1 HIS 100 HE1 HIS 100 28.326 29.668 -24.008 695 HE2 HIS 100 HE2 HIS 100 29.952 31.576 -23.760 696 H THR 101 H THR 101 32.746 25.274 -25.502 697 HA THR 101 HA THR 101 34.345 23.185 -24.442 698 HB THR 101 HB THR 101 33.336 22.607 -26.453 699 HG1 THR 101 HG1 THR 101 35.417 21.897 -26.666 700 1HG2 THR 101 1HG2 THR 101 34.208 25.314 -27.434 701 2HG2 THR 101 2HG2 THR 101 33.676 24.049 -28.541 702 3HG2 THR 101 3HG2 THR 101 32.574 24.660 -27.308 No H/Q in entry = 702 Start of MODEL 21 1 H1 TYR 1 H1 TYR 1 50.177 5.679 -43.394 2 H2 TYR 1 H2 TYR 1 49.141 4.671 -44.272 3 H3 TYR 1 H3 TYR 1 50.682 5.025 -44.871 4 HA TYR 1 HA TYR 1 50.142 7.145 -45.495 5 1HB TYR 1 1HB TYR 1 47.727 5.356 -45.782 6 2HB TYR 1 2HB TYR 1 47.818 6.939 -46.549 7 HD1 TYR 1 HD1 TYR 1 49.627 3.690 -46.323 8 HD2 TYR 1 HD2 TYR 1 48.808 7.158 -48.648 9 HE1 TYR 1 HE1 TYR 1 50.824 2.691 -48.225 10 HE2 TYR 1 HE2 TYR 1 50.002 6.169 -50.556 11 HH TYR 1 HH TYR 1 50.520 3.504 -51.222 12 H GLY 2 H GLY 2 47.352 5.999 -43.575 13 1HA GLY 2 1HA GLY 2 47.324 8.601 -42.213 14 2HA GLY 2 2HA GLY 2 45.855 8.047 -43.002 15 H HIS 3 H HIS 3 48.269 6.301 -41.063 16 HA HIS 3 HA HIS 3 46.074 5.403 -39.322 17 1HB HIS 3 1HB HIS 3 48.359 4.056 -40.517 18 2HB HIS 3 2HB HIS 3 48.294 3.809 -38.776 19 HD1 HIS 3 HD1 HIS 3 47.058 2.423 -41.830 20 HD2 HIS 3 HD2 HIS 3 45.557 2.853 -37.980 21 HE1 HIS 3 HE1 HIS 3 45.182 0.757 -41.649 22 HE2 HIS 3 HE2 HIS 3 44.360 0.963 -39.277 23 H CYS 4 H CYS 4 45.970 6.633 -37.534 24 HA CYS 4 HA CYS 4 48.375 7.797 -36.409 25 1HB CYS 4 1HB CYS 4 45.444 8.048 -35.751 26 2HB CYS 4 2HB CYS 4 46.693 8.737 -34.731 27 H VAL 5 H VAL 5 48.360 7.772 -33.856 28 HA VAL 5 HA VAL 5 47.631 5.182 -32.764 29 HB VAL 5 HB VAL 5 49.990 4.860 -31.877 30 1HG1 VAL 5 1HG1 VAL 5 49.326 4.544 -34.793 31 2HG1 VAL 5 2HG1 VAL 5 50.787 3.872 -34.069 32 3HG1 VAL 5 3HG1 VAL 5 49.201 3.344 -33.507 33 1HG2 VAL 5 1HG2 VAL 5 50.817 7.109 -32.406 34 2HG2 VAL 5 2HG2 VAL 5 51.808 5.856 -33.154 35 3HG2 VAL 5 3HG2 VAL 5 50.649 6.761 -34.127 36 H THR 6 H THR 6 47.850 5.068 -30.453 37 HA THR 6 HA THR 6 47.597 7.699 -29.212 38 HB THR 6 HB THR 6 46.351 6.729 -27.536 39 HG1 THR 6 HG1 THR 6 47.576 5.200 -26.624 40 1HG2 THR 6 1HG2 THR 6 45.796 5.835 -30.135 41 2HG2 THR 6 2HG2 THR 6 45.576 4.431 -29.090 42 3HG2 THR 6 3HG2 THR 6 44.681 5.918 -28.771 43 H ASP 7 H ASP 7 49.466 4.710 -28.906 44 HA ASP 7 HA ASP 7 51.542 6.212 -27.502 45 1HB ASP 7 1HB ASP 7 49.869 4.163 -26.304 46 2HB ASP 7 2HB ASP 7 51.574 3.727 -26.241 47 H SER 8 H SER 8 50.840 2.853 -28.430 48 HA SER 8 HA SER 8 52.608 2.711 -30.579 49 1HB SER 8 1HB SER 8 54.586 1.744 -29.716 50 2HB SER 8 2HB SER 8 54.251 3.106 -28.646 51 HG SER 8 HG SER 8 53.095 1.422 -27.342 52 H GLY 9 H GLY 9 50.070 1.758 -30.023 53 1HA GLY 9 1HA GLY 9 50.461 -1.068 -30.563 54 2HA GLY 9 2HA GLY 9 49.559 -0.706 -29.100 55 H VAL 10 H VAL 10 47.909 1.246 -29.683 56 HA VAL 10 HA VAL 10 46.068 0.023 -31.546 57 HB VAL 10 HB VAL 10 45.611 2.617 -30.090 58 1HG1 VAL 10 1HG1 VAL 10 44.025 1.847 -31.869 59 2HG1 VAL 10 2HG1 VAL 10 43.675 0.441 -30.862 60 3HG1 VAL 10 3HG1 VAL 10 43.298 2.062 -30.277 61 1HG2 VAL 10 1HG2 VAL 10 46.399 0.462 -28.718 62 2HG2 VAL 10 2HG2 VAL 10 45.198 1.598 -28.105 63 3HG2 VAL 10 3HG2 VAL 10 44.682 0.090 -28.861 64 H VAL 11 H VAL 11 46.740 0.358 -33.616 65 HA VAL 11 HA VAL 11 47.586 2.981 -34.502 66 HB VAL 11 HB VAL 11 47.065 0.593 -36.263 67 1HG1 VAL 11 1HG1 VAL 11 47.593 3.080 -37.019 68 2HG1 VAL 11 2HG1 VAL 11 49.248 2.551 -36.714 69 3HG1 VAL 11 3HG1 VAL 11 48.245 1.684 -37.876 70 1HG2 VAL 11 1HG2 VAL 11 48.580 0.112 -34.264 71 2HG2 VAL 11 2HG2 VAL 11 49.226 -0.237 -35.869 72 3HG2 VAL 11 3HG2 VAL 11 49.725 1.224 -35.017 73 H TYR 12 H TYR 12 45.821 4.330 -34.367 74 HA TYR 12 HA TYR 12 43.285 3.601 -35.534 75 1HB TYR 12 1HB TYR 12 44.374 6.010 -34.128 76 2HB TYR 12 2HB TYR 12 42.903 6.169 -35.084 77 HD1 TYR 12 HD1 TYR 12 40.971 4.563 -34.540 78 HD2 TYR 12 HD2 TYR 12 44.276 5.205 -31.939 79 HE1 TYR 12 HE1 TYR 12 39.651 3.693 -32.659 80 HE2 TYR 12 HE2 TYR 12 42.964 4.335 -30.049 81 HH TYR 12 HH TYR 12 41.023 3.494 -29.386 82 H SER 13 H SER 13 42.337 5.608 -36.929 83 HA SER 13 HA SER 13 44.290 6.294 -39.003 84 1HB SER 13 1HB SER 13 41.658 4.887 -39.441 85 2HB SER 13 2HB SER 13 42.518 5.724 -40.732 86 HG SER 13 HG SER 13 43.612 3.641 -39.145 87 H VAL 14 H VAL 14 43.686 8.070 -40.346 88 HA VAL 14 HA VAL 14 42.576 10.216 -38.969 89 HB VAL 14 HB VAL 14 44.043 10.719 -40.755 90 1HG1 VAL 14 1HG1 VAL 14 42.803 8.576 -42.049 91 2HG1 VAL 14 2HG1 VAL 14 42.483 9.986 -43.059 92 3HG1 VAL 14 3HG1 VAL 14 44.143 9.556 -42.644 93 1HG2 VAL 14 1HG2 VAL 14 42.258 12.350 -40.450 94 2HG2 VAL 14 2HG2 VAL 14 42.743 12.263 -42.143 95 3HG2 VAL 14 3HG2 VAL 14 41.253 11.485 -41.611 96 H GLY 15 H GLY 15 40.569 9.575 -38.136 97 1HA GLY 15 1HA GLY 15 38.277 10.458 -38.839 98 2HA GLY 15 2HA GLY 15 38.411 9.265 -40.122 99 H MET 16 H MET 16 39.812 7.408 -38.240 100 HA MET 16 HA MET 16 37.814 5.702 -37.566 101 1HB MET 16 1HB MET 16 40.503 5.739 -37.168 102 2HB MET 16 2HB MET 16 39.928 5.875 -35.512 103 1HG MET 16 1HG MET 16 39.534 3.707 -35.450 104 2HG MET 16 2HG MET 16 38.430 3.845 -36.816 105 1HE MET 16 1HE MET 16 41.441 2.726 -35.314 106 2HE MET 16 2HE MET 16 41.063 1.224 -36.158 107 3HE MET 16 3HE MET 16 42.530 2.117 -36.560 108 H GLN 17 H GLN 17 39.071 8.326 -35.534 109 HA GLN 17 HA GLN 17 38.254 9.356 -33.680 110 1HB GLN 17 1HB GLN 17 36.024 8.931 -35.455 111 2HB GLN 17 2HB GLN 17 35.486 8.847 -33.783 112 1HG GLN 17 1HG GLN 17 37.185 11.055 -33.896 113 2HG GLN 17 2HG GLN 17 36.212 11.135 -35.363 114 2HE2 GLN 17 1HE2 GLN 17 33.806 10.478 -34.832 115 1HE2 GLN 17 2HE2 GLN 17 33.116 11.352 -33.512 116 H TRP 18 H TRP 18 38.503 8.637 -31.681 117 HA TRP 18 HA TRP 18 36.917 6.378 -30.738 118 1HB TRP 18 2HB TRP 18 38.980 5.368 -31.598 119 2HB TRP 18 1HB TRP 18 38.887 5.214 -29.847 120 HD1 TRP 18 HD1 TRP 18 40.753 6.382 -28.420 121 HE1 TRP 18 HE1 TRP 18 42.927 7.609 -29.014 122 HE3 TRP 18 HE3 TRP 18 40.018 6.944 -33.448 123 HZ2 TRP 18 HZ2 TRP 18 44.177 8.681 -31.317 124 HZ3 TRP 18 HZ3 TRP 18 41.749 8.080 -34.774 125 HH2 TRP 18 HH2 TRP 18 43.784 8.930 -33.732 126 H LEU 19 H LEU 19 38.178 5.976 -28.316 127 HA LEU 19 HA LEU 19 38.329 8.583 -27.018 128 1HB LEU 19 1HB LEU 19 35.976 7.933 -26.881 129 2HB LEU 19 2HB LEU 19 36.431 6.397 -26.168 130 HG LEU 19 HG LEU 19 37.585 8.076 -24.401 131 1HD1 LEU 19 1HD1 LEU 19 36.192 9.848 -25.944 132 2HD1 LEU 19 2HD1 LEU 19 35.062 9.527 -24.629 133 3HD1 LEU 19 3HD1 LEU 19 36.684 10.118 -24.271 134 1HD2 LEU 19 1HD2 LEU 19 35.520 6.263 -24.416 135 2HD2 LEU 19 2HD2 LEU 19 36.167 7.081 -22.994 136 3HD2 LEU 19 3HD2 LEU 19 34.752 7.734 -23.820 137 H LYS 20 H LYS 20 40.134 8.592 -25.891 138 HA LYS 20 HA LYS 20 41.252 6.067 -24.940 139 1HB LYS 20 1HB LYS 20 43.321 7.167 -24.760 140 2HB LYS 20 2HB LYS 20 42.594 7.821 -26.221 141 1HG LYS 20 1HG LYS 20 41.875 9.799 -24.965 142 2HG LYS 20 2HG LYS 20 42.647 9.144 -23.519 143 1HD LYS 20 1HD LYS 20 44.450 9.169 -25.788 144 2HD LYS 20 2HD LYS 20 43.819 10.779 -25.436 145 1HE LYS 20 2HE LYS 20 44.422 9.747 -22.944 146 2HE LYS 20 1HE LYS 20 45.383 10.913 -23.853 147 1HZ LYS 20 1HZ LYS 20 46.248 8.671 -24.946 148 2HZ LYS 20 2HZ LYS 20 46.952 9.337 -23.558 149 3HZ LYS 20 3HZ LYS 20 45.841 8.070 -23.419 150 H THR 21 H THR 21 41.797 5.669 -22.802 151 HA THR 21 HA THR 21 40.643 7.516 -20.817 152 HB THR 21 HB THR 21 40.385 4.527 -20.999 153 HG1 THR 21 HG1 THR 21 38.288 5.008 -21.058 154 1HG2 THR 21 1HG2 THR 21 41.267 5.013 -18.756 155 2HG2 THR 21 2HG2 THR 21 39.969 6.179 -18.503 156 3HG2 THR 21 3HG2 THR 21 39.591 4.466 -18.692 157 H GLN 22 H GLN 22 43.348 5.695 -21.822 158 HA GLN 22 HA GLN 22 44.598 5.487 -19.242 159 1HB GLN 22 1HB GLN 22 45.623 5.062 -22.050 160 2HB GLN 22 2HB GLN 22 46.618 4.842 -20.616 161 1HG GLN 22 1HG GLN 22 44.020 3.395 -20.877 162 2HG GLN 22 2HG GLN 22 45.461 2.801 -21.703 163 2HE2 GLN 22 1HE2 GLN 22 44.014 3.491 -18.600 164 1HE2 GLN 22 2HE2 GLN 22 45.084 2.510 -17.662 165 H GLY 23 H GLY 23 44.448 7.704 -18.577 166 1HA GLY 23 1HA GLY 23 46.833 9.164 -19.069 167 2HA GLY 23 2HA GLY 23 45.478 9.910 -19.904 168 H ASN 24 H ASN 24 43.459 9.406 -18.045 169 HA ASN 24 HA ASN 24 44.239 10.324 -15.445 170 1HB ASN 24 1HB ASN 24 42.600 12.230 -17.122 171 2HB ASN 24 2HB ASN 24 43.190 12.487 -15.481 172 2HD2 ASN 24 1HD2 ASN 24 43.807 12.897 -18.762 173 1HD2 ASN 24 2HD2 ASN 24 45.440 13.446 -18.645 174 H LYS 25 H LYS 25 41.321 10.838 -17.423 175 HA LYS 25 HA LYS 25 39.902 8.881 -15.761 176 1HB LYS 25 1HB LYS 25 38.327 11.269 -16.455 177 2HB LYS 25 2HB LYS 25 38.360 10.335 -14.966 178 1HG LYS 25 1HG LYS 25 39.311 12.184 -14.129 179 2HG LYS 25 2HG LYS 25 40.780 11.517 -14.845 180 1HD LYS 25 1HD LYS 25 40.504 12.873 -16.810 181 2HD LYS 25 2HD LYS 25 38.926 13.434 -16.253 182 1HE LYS 25 1HE LYS 25 40.442 14.146 -14.148 183 2HE LYS 25 2HE LYS 25 41.640 14.267 -15.436 184 1HZ LYS 25 1HZ LYS 25 39.993 15.674 -16.649 185 2HZ LYS 25 2HZ LYS 25 39.049 15.696 -15.244 186 3HZ LYS 25 3HZ LYS 25 40.600 16.368 -15.232 187 H GLN 26 H GLN 26 39.179 11.192 -18.380 188 HA GLN 26 HA GLN 26 38.670 9.051 -20.242 189 1HB GLN 26 1HB GLN 26 36.472 10.505 -18.882 190 2HB GLN 26 2HB GLN 26 36.304 10.282 -20.619 191 1HG GLN 26 1HG GLN 26 36.712 7.836 -20.243 192 2HG GLN 26 2HG GLN 26 36.596 8.158 -18.513 193 2HE2 GLN 26 1HE2 GLN 26 34.633 8.397 -17.592 194 1HE2 GLN 26 2HE2 GLN 26 33.136 8.271 -18.444 195 H MET 27 H MET 27 39.207 9.701 -22.230 196 HA MET 27 HA MET 27 38.924 12.510 -22.972 197 1HB MET 27 1HB MET 27 41.357 11.560 -22.078 198 2HB MET 27 2HB MET 27 41.499 11.419 -23.825 199 1HG MET 27 1HG MET 27 40.415 13.925 -23.474 200 2HG MET 27 2HG MET 27 41.547 13.771 -22.132 201 1HE MET 27 1HE MET 27 42.682 15.609 -22.732 202 2HE MET 27 2HE MET 27 44.193 15.486 -23.632 203 3HE MET 27 3HE MET 27 42.751 16.134 -24.414 204 H LEU 28 H LEU 28 38.249 12.739 -25.018 205 HA LEU 28 HA LEU 28 38.057 10.347 -26.670 206 1HB LEU 28 1HB LEU 28 36.097 11.870 -26.305 207 2HB LEU 28 2HB LEU 28 36.949 13.093 -27.232 208 HG LEU 28 HG LEU 28 37.048 11.111 -29.017 209 1HD1 LEU 28 1HD1 LEU 28 34.866 10.404 -27.136 210 2HD1 LEU 28 2HD1 LEU 28 34.579 10.189 -28.861 211 3HD1 LEU 28 3HD1 LEU 28 35.928 9.363 -28.082 212 1HD2 LEU 28 1HD2 LEU 28 35.360 13.402 -28.535 213 2HD2 LEU 28 2HD2 LEU 28 36.009 12.785 -30.054 214 3HD2 LEU 28 3HD2 LEU 28 34.491 12.148 -29.419 215 H CYS 29 H CYS 29 39.510 9.913 -28.200 216 HA CYS 29 HA CYS 29 41.230 12.105 -29.135 217 1HB CYS 29 1HB CYS 29 41.662 9.222 -28.631 218 2HB CYS 29 2HB CYS 29 42.502 9.898 -30.022 219 H THR 30 H THR 30 41.868 12.189 -31.347 220 HA THR 30 HA THR 30 40.281 10.694 -33.279 221 HB THR 30 HB THR 30 40.189 13.713 -33.133 222 HG1 THR 30 HG1 THR 30 38.085 13.424 -32.606 223 1HG2 THR 30 1HG2 THR 30 39.255 11.793 -35.264 224 2HG2 THR 30 2HG2 THR 30 38.663 13.449 -35.132 225 3HG2 THR 30 3HG2 THR 30 40.374 13.147 -35.438 226 H CYS 31 H CYS 31 41.192 10.604 -35.326 227 HA CYS 31 HA CYS 31 43.942 11.611 -35.483 228 1HB CYS 31 1HB CYS 31 43.766 9.209 -35.761 229 2HB CYS 31 2HB CYS 31 42.551 9.403 -37.011 230 H LEU 32 H LEU 32 44.121 13.480 -36.494 231 HA LEU 32 HA LEU 32 42.181 14.269 -38.500 232 1HB LEU 32 1HB LEU 32 43.875 16.331 -38.485 233 2HB LEU 32 2HB LEU 32 42.593 16.143 -37.304 234 HG LEU 32 HG LEU 32 45.220 14.934 -36.636 235 1HD1 LEU 32 1HD1 LEU 32 44.755 17.850 -36.997 236 2HD1 LEU 32 2HD1 LEU 32 45.751 17.297 -35.652 237 3HD1 LEU 32 3HD1 LEU 32 46.200 16.887 -37.307 238 1HD2 LEU 32 1HD2 LEU 32 43.285 14.758 -35.140 239 2HD2 LEU 32 2HD2 LEU 32 44.599 15.674 -34.404 240 3HD2 LEU 32 3HD2 LEU 32 43.196 16.517 -35.058 241 H GLY 33 H GLY 33 45.662 13.675 -38.285 242 1HA GLY 33 1HA GLY 33 46.227 12.394 -40.526 243 2HA GLY 33 2HA GLY 33 45.932 13.999 -41.176 244 H ASN 34 H ASN 34 47.048 15.226 -38.682 245 HA ASN 34 HA ASN 34 49.855 15.002 -39.473 246 1HB ASN 34 2HB ASN 34 48.475 17.232 -39.254 247 2HB ASN 34 1HB ASN 34 50.162 17.176 -38.756 248 2HD2 ASN 34 1HD2 ASN 34 49.775 18.969 -37.410 249 1HD2 ASN 34 2HD2 ASN 34 48.986 18.784 -35.883 250 H GLY 35 H GLY 35 47.702 14.364 -36.824 251 1HA GLY 35 1HA GLY 35 49.699 12.815 -35.479 252 2HA GLY 35 2HA GLY 35 49.364 14.318 -34.634 253 H VAL 36 H VAL 36 47.004 14.740 -34.213 254 HA VAL 36 HA VAL 36 44.854 13.245 -34.226 255 HB VAL 36 HB VAL 36 46.870 11.781 -32.638 256 1HG1 VAL 36 1HG1 VAL 36 44.169 12.389 -31.539 257 2HG1 VAL 36 2HG1 VAL 36 44.814 10.760 -31.338 258 3HG1 VAL 36 3HG1 VAL 36 45.700 12.144 -30.699 259 1HG2 VAL 36 1HG2 VAL 36 45.614 11.168 -34.801 260 2HG2 VAL 36 2HG2 VAL 36 45.872 9.930 -33.571 261 3HG2 VAL 36 3HG2 VAL 36 44.301 10.721 -33.714 262 H SER 37 H SER 37 43.354 14.414 -33.236 263 HA SER 37 HA SER 37 44.184 16.120 -30.988 264 1HB SER 37 1HB SER 37 43.461 17.400 -32.928 265 2HB SER 37 2HB SER 37 41.948 16.496 -32.994 266 HG SER 37 HG SER 37 41.799 18.573 -31.939 267 H CYS 38 H CYS 38 43.280 15.836 -29.054 268 HA CYS 38 HA CYS 38 40.773 14.309 -28.886 269 1HB CYS 38 1HB CYS 38 42.803 14.011 -26.724 270 2HB CYS 38 2HB CYS 38 41.582 12.875 -27.270 271 H GLN 39 H GLN 39 39.645 14.613 -26.769 272 HA GLN 39 HA GLN 39 40.211 17.250 -25.591 273 1HB GLN 39 1HB GLN 39 37.368 16.464 -25.805 274 2HB GLN 39 2HB GLN 39 38.113 18.050 -25.951 275 1HG GLN 39 1HG GLN 39 39.039 16.770 -28.180 276 2HG GLN 39 2HG GLN 39 37.415 16.106 -28.007 277 2HE2 GLN 39 1HE2 GLN 39 39.017 19.259 -27.672 278 1HE2 GLN 39 2HE2 GLN 39 37.826 20.148 -28.551 279 H GLU 40 H GLU 40 40.256 17.276 -23.443 280 HA GLU 40 HA GLU 40 40.043 14.942 -21.904 281 1HB GLU 40 1HB GLU 40 40.964 17.535 -21.514 282 2HB GLU 40 2HB GLU 40 39.639 17.376 -20.368 283 1HG GLU 40 1HG GLU 40 40.714 15.238 -19.600 284 2HG GLU 40 2HG GLU 40 42.112 15.692 -20.573 285 H THR 41 H THR 41 38.039 13.974 -22.243 286 HA THR 41 HA THR 41 35.954 13.406 -21.480 287 HB THR 41 HB THR 41 35.875 16.109 -20.130 288 HG1 THR 41 HG1 THR 41 37.268 15.153 -18.845 289 1HG2 THR 41 1HG2 THR 41 33.685 14.920 -20.617 290 2HG2 THR 41 2HG2 THR 41 34.230 13.676 -19.492 291 3HG2 THR 41 3HG2 THR 41 34.000 15.333 -18.931 292 H ALA 42 H ALA 42 36.343 16.729 -22.643 293 HA ALA 42 HA ALA 42 35.285 17.861 -24.316 294 1HB ALA 42 1HB ALA 42 34.938 15.137 -25.022 295 2HB ALA 42 2HB ALA 42 33.417 15.974 -25.329 296 3HB ALA 42 3HB ALA 42 34.907 16.555 -26.070 297 H VAL 43 H VAL 43 34.138 19.301 -23.120 298 HA VAL 43 HA VAL 43 31.319 18.637 -22.637 299 HB VAL 43 HB VAL 43 31.989 20.423 -20.589 300 1HG1 VAL 43 1HG1 VAL 43 30.435 18.299 -20.823 301 2HG1 VAL 43 2HG1 VAL 43 31.789 17.518 -20.005 302 3HG1 VAL 43 3HG1 VAL 43 30.971 18.886 -19.250 303 1HG2 VAL 43 1HG2 VAL 43 34.097 18.325 -20.960 304 2HG2 VAL 43 2HG2 VAL 43 34.286 20.038 -20.590 305 3HG2 VAL 43 3HG2 VAL 43 33.687 18.929 -19.356 306 H THR 44 H THR 44 33.467 21.434 -22.096 307 HA THR 44 HA THR 44 33.274 23.626 -22.685 308 HB THR 44 HB THR 44 31.846 23.482 -25.139 309 HG1 THR 44 HG1 THR 44 33.351 21.859 -26.109 310 1HG2 THR 44 1HG2 THR 44 34.557 24.096 -24.167 311 2HG2 THR 44 2HG2 THR 44 34.459 23.603 -25.858 312 3HG2 THR 44 3HG2 THR 44 33.523 24.985 -25.287 313 H GLN 45 H GLN 45 31.463 25.157 -23.963 314 HA GLN 45 HA GLN 45 29.030 24.777 -22.349 315 1HB GLN 45 2HB GLN 45 28.768 27.146 -22.297 316 2HB GLN 45 1HB GLN 45 29.984 27.375 -23.547 317 1HG GLN 45 1HG GLN 45 30.870 26.033 -21.071 318 2HG GLN 45 2HG GLN 45 31.709 27.191 -22.100 319 2HE2 GLN 45 1HE2 GLN 45 29.965 26.731 -19.247 320 1HE2 GLN 45 2HE2 GLN 45 29.807 28.388 -18.784 321 H THR 46 H THR 46 27.665 26.918 -23.810 322 HA THR 46 HA THR 46 27.370 25.914 -26.519 323 HB THR 46 HB THR 46 24.932 25.573 -26.298 324 HG1 THR 46 HG1 THR 46 25.496 26.360 -23.686 325 1HG2 THR 46 1HG2 THR 46 26.869 23.789 -25.777 326 2HG2 THR 46 2HG2 THR 46 26.009 23.743 -24.239 327 3HG2 THR 46 3HG2 THR 46 25.154 23.385 -25.738 328 H TYR 47 H TYR 47 25.738 27.243 -27.754 329 HA TYR 47 HA TYR 47 24.702 29.643 -26.774 330 1HB TYR 47 1HB TYR 47 26.284 31.266 -27.808 331 2HB TYR 47 2HB TYR 47 26.948 30.399 -26.430 332 HD1 TYR 47 HD1 TYR 47 26.967 28.056 -28.990 333 HD2 TYR 47 HD2 TYR 47 28.944 31.634 -27.798 334 HE1 TYR 47 HE1 TYR 47 28.919 27.425 -30.343 335 HE2 TYR 47 HE2 TYR 47 30.898 31.008 -29.149 336 HH TYR 47 HH TYR 47 31.913 29.198 -30.193 337 H GLY 48 H GLY 48 23.049 29.926 -28.078 338 1HA GLY 48 1HA GLY 48 21.921 30.404 -30.043 339 2HA GLY 48 2HA GLY 48 23.433 30.220 -30.918 340 H GLY 49 H GLY 49 23.275 28.698 -32.410 341 1HA GLY 49 1HA GLY 49 22.873 26.660 -33.392 342 2HA GLY 49 2HA GLY 49 22.632 26.011 -31.777 343 H ASN 50 H ASN 50 20.900 24.719 -32.491 344 HA ASN 50 HA ASN 50 18.555 26.033 -33.593 345 1HB ASN 50 1HB ASN 50 19.614 23.451 -33.785 346 2HB ASN 50 2HB ASN 50 18.151 23.267 -32.820 347 2HD2 ASN 50 1HD2 ASN 50 16.394 24.948 -33.814 348 1HD2 ASN 50 2HD2 ASN 50 16.085 24.648 -35.487 349 H SER 51 H SER 51 19.784 25.058 -30.548 350 HA SER 51 HA SER 51 17.131 25.397 -29.316 351 1HB SER 51 1HB SER 51 18.674 23.252 -28.996 352 2HB SER 51 2HB SER 51 19.416 24.271 -27.764 353 HG SER 51 HG SER 51 17.406 22.839 -27.328 354 H ASN 52 H ASN 52 19.257 27.410 -30.163 355 HA ASN 52 HA ASN 52 20.214 29.327 -29.400 356 1HB ASN 52 1HB ASN 52 17.819 29.790 -28.978 357 2HB ASN 52 2HB ASN 52 18.000 29.144 -27.351 358 2HD2 ASN 52 1HD2 ASN 52 17.431 31.070 -26.377 359 1HD2 ASN 52 2HD2 ASN 52 18.468 32.453 -26.373 360 H GLY 53 H GLY 53 20.983 26.676 -28.112 361 1HA GLY 53 1HA GLY 53 22.934 26.410 -26.775 362 2HA GLY 53 2HA GLY 53 22.525 27.897 -25.934 363 H GLU 54 H GLU 54 21.251 24.613 -26.465 364 HA GLU 54 HA GLU 54 20.423 24.600 -23.640 365 1HB GLU 54 1HB GLU 54 19.032 23.557 -26.076 366 2HB GLU 54 2HB GLU 54 18.722 22.835 -24.507 367 1HG GLU 54 1HG GLU 54 18.592 25.722 -24.418 368 2HG GLU 54 2HG GLU 54 17.467 25.037 -25.586 369 HA PRO 55 HA PRO 55 22.642 20.938 -22.663 370 1HB PRO 55 2HB PRO 55 21.415 19.609 -21.236 371 2HB PRO 55 1HB PRO 55 20.066 19.463 -22.369 372 1HG PRO 55 1HG PRO 55 19.162 20.985 -20.863 373 2HG PRO 55 2HG PRO 55 20.742 21.698 -20.496 374 1HD PRO 55 1HD PRO 55 18.918 22.211 -22.794 375 2HD PRO 55 2HD PRO 55 20.016 23.322 -21.953 376 H CYS 56 H CYS 56 23.347 18.951 -23.531 377 HA CYS 56 HA CYS 56 22.353 18.440 -26.232 378 1HB CYS 56 1HB CYS 56 24.834 17.286 -24.963 379 2HB CYS 56 2HB CYS 56 24.433 17.361 -26.675 380 H VAL 57 H VAL 57 22.867 15.936 -26.798 381 HA VAL 57 HA VAL 57 21.686 14.232 -24.725 382 HB VAL 57 HB VAL 57 19.847 15.071 -26.190 383 1HG1 VAL 57 1HG1 VAL 57 21.706 14.511 -28.226 384 2HG1 VAL 57 2HG1 VAL 57 20.361 13.393 -28.448 385 3HG1 VAL 57 3HG1 VAL 57 20.064 15.131 -28.398 386 1HG2 VAL 57 1HG2 VAL 57 20.543 12.262 -25.712 387 2HG2 VAL 57 2HG2 VAL 57 19.059 13.141 -25.345 388 3HG2 VAL 57 3HG2 VAL 57 19.333 12.510 -26.969 389 H LEU 58 H LEU 58 24.218 13.899 -25.067 390 HA LEU 58 HA LEU 58 24.591 11.839 -27.127 391 1HB LEU 58 1HB LEU 58 27.094 12.291 -26.160 392 2HB LEU 58 2HB LEU 58 26.408 13.056 -27.581 393 HG LEU 58 HG LEU 58 27.508 14.676 -26.120 394 1HD1 LEU 58 1HD1 LEU 58 25.004 14.892 -27.268 395 2HD1 LEU 58 2HD1 LEU 58 24.798 15.569 -25.654 396 3HD1 LEU 58 3HD1 LEU 58 26.034 16.219 -26.730 397 1HD2 LEU 58 1HD2 LEU 58 26.339 13.191 -24.066 398 2HD2 LEU 58 2HD2 LEU 58 27.295 14.664 -23.909 399 3HD2 LEU 58 3HD2 LEU 58 25.538 14.762 -24.023 400 HA PRO 59 HA PRO 59 26.967 10.741 -27.204 401 1HB PRO 59 2HB PRO 59 28.114 8.790 -27.307 402 2HB PRO 59 1HB PRO 59 26.629 7.846 -27.393 403 1HG PRO 59 1HG PRO 59 27.269 7.229 -25.265 404 2HG PRO 59 2HG PRO 59 28.181 8.728 -25.008 405 1HD PRO 59 2HD PRO 59 26.318 9.210 -23.722 406 2HD PRO 59 1HD PRO 59 25.244 8.224 -24.736 407 H PHE 60 H PHE 60 26.155 11.045 -29.184 408 HA PHE 60 HA PHE 60 23.591 9.736 -29.838 409 1HB PHE 60 1HB PHE 60 23.237 11.763 -31.355 410 2HB PHE 60 2HB PHE 60 23.086 12.033 -29.622 411 HD1 PHE 60 HD1 PHE 60 25.501 12.297 -32.430 412 HD2 PHE 60 HD2 PHE 60 24.312 13.706 -28.595 413 HE1 PHE 60 HE1 PHE 60 27.177 14.092 -32.573 414 HE2 PHE 60 HE2 PHE 60 25.986 15.504 -28.733 415 HZ PHE 60 HZ PHE 60 27.420 15.691 -30.721 416 H THR 61 H THR 61 23.265 9.951 -32.392 417 HA THR 61 HA THR 61 25.770 9.010 -33.629 418 HB THR 61 HB THR 61 23.408 8.042 -34.994 419 HG1 THR 61 HG1 THR 61 22.316 7.798 -33.137 420 1HG2 THR 61 1HG2 THR 61 25.808 6.780 -33.679 421 2HG2 THR 61 2HG2 THR 61 24.570 5.842 -34.514 422 3HG2 THR 61 3HG2 THR 61 25.522 7.035 -35.401 423 H TYR 62 H TYR 62 26.441 10.104 -35.349 424 HA TYR 62 HA TYR 62 24.492 11.521 -37.006 425 1HB TYR 62 1HB TYR 62 25.330 13.168 -35.377 426 2HB TYR 62 2HB TYR 62 26.982 12.821 -35.883 427 HD1 TYR 62 HD1 TYR 62 23.769 14.286 -36.949 428 HD2 TYR 62 HD2 TYR 62 27.890 13.777 -37.865 429 HE1 TYR 62 HE1 TYR 62 23.580 15.991 -38.712 430 HE2 TYR 62 HE2 TYR 62 27.716 15.479 -39.632 431 HH TYR 62 HH TYR 62 24.745 17.317 -40.125 432 H ASN 63 H ASN 63 24.852 11.171 -39.098 433 HA ASN 63 HA ASN 63 25.893 10.696 -41.068 434 1HB ASN 63 1HB ASN 63 27.706 12.271 -39.808 435 2HB ASN 63 2HB ASN 63 28.646 10.793 -39.997 436 2HD2 ASN 63 1HD2 ASN 63 26.906 13.316 -41.671 437 1HD2 ASN 63 2HD2 ASN 63 27.644 13.070 -43.213 438 H GLY 64 H GLY 64 25.860 8.833 -38.444 439 1HA GLY 64 1HA GLY 64 25.749 6.432 -38.784 440 2HA GLY 64 2HA GLY 64 27.114 6.581 -39.879 441 H ARG 65 H ARG 65 28.017 8.602 -37.577 442 HA ARG 65 HA ARG 65 29.404 6.492 -36.073 443 1HB ARG 65 1HB ARG 65 31.191 8.003 -35.707 444 2HB ARG 65 2HB ARG 65 30.754 8.172 -37.401 445 1HG ARG 65 1HG ARG 65 29.333 10.153 -36.669 446 2HG ARG 65 2HG ARG 65 30.201 10.055 -35.135 447 1HD ARG 65 1HD ARG 65 31.700 11.401 -36.115 448 2HD ARG 65 2HD ARG 65 32.239 9.944 -36.947 449 HE ARG 65 HE ARG 65 30.104 11.226 -38.332 450 1HH1 ARG 65 1HH1 ARG 65 33.535 11.360 -37.743 451 2HH1 ARG 65 2HH1 ARG 65 33.892 12.158 -39.238 452 1HH2 ARG 65 1HH2 ARG 65 30.564 12.276 -40.305 453 2HH2 ARG 65 2HH2 ARG 65 32.203 12.679 -40.694 454 H THR 66 H THR 66 30.311 8.149 -33.970 455 HA THR 66 HA THR 66 27.855 9.023 -32.631 456 HB THR 66 HB THR 66 29.831 7.116 -31.367 457 HG1 THR 66 HG1 THR 66 28.480 5.549 -31.900 458 1HG2 THR 66 1HG2 THR 66 28.749 8.730 -29.814 459 2HG2 THR 66 2HG2 THR 66 27.179 8.113 -30.328 460 3HG2 THR 66 3HG2 THR 66 28.314 7.051 -29.494 461 H PHE 67 H PHE 67 28.234 10.355 -30.748 462 HA PHE 67 HA PHE 67 30.945 11.390 -30.423 463 1HB PHE 67 1HB PHE 67 28.631 13.280 -30.833 464 2HB PHE 67 2HB PHE 67 30.349 13.664 -30.778 465 HD1 PHE 67 HD1 PHE 67 28.010 11.505 -32.729 466 HD2 PHE 67 HD2 PHE 67 31.391 14.089 -32.773 467 HE1 PHE 67 HE1 PHE 67 28.128 11.304 -35.179 468 HE2 PHE 67 HE2 PHE 67 31.515 13.892 -35.222 469 HZ PHE 67 HZ PHE 67 29.882 12.497 -36.428 470 H TYR 68 H TYR 68 31.415 12.019 -28.379 471 HA TYR 68 HA TYR 68 29.355 11.564 -26.360 472 1HB TYR 68 1HB TYR 68 32.350 11.904 -26.116 473 2HB TYR 68 2HB TYR 68 31.265 11.586 -24.767 474 HD1 TYR 68 HD1 TYR 68 29.475 9.636 -26.391 475 HD2 TYR 68 HD2 TYR 68 33.673 9.926 -25.800 476 HE1 TYR 68 HE1 TYR 68 29.691 7.220 -26.798 477 HE2 TYR 68 HE2 TYR 68 33.908 7.512 -26.204 478 HH TYR 68 HH TYR 68 31.094 5.511 -27.043 479 H SER 69 H SER 69 29.814 14.096 -28.083 480 HA SER 69 HA SER 69 28.814 15.980 -26.350 481 1HB SER 69 1HB SER 69 31.760 15.714 -26.166 482 2HB SER 69 2HB SER 69 31.134 17.358 -26.276 483 HG SER 69 HG SER 69 30.715 17.155 -24.236 484 H CYS 70 H CYS 70 29.685 18.361 -27.142 485 HA CYS 70 HA CYS 70 28.601 18.858 -29.567 486 1HB CYS 70 2HB CYS 70 29.722 20.959 -29.568 487 2HB CYS 70 1HB CYS 70 31.056 20.331 -28.609 488 H THR 71 H THR 71 29.430 19.269 -31.688 489 HA THR 71 HA THR 71 32.080 18.410 -32.395 490 HB THR 71 HB THR 71 30.766 16.249 -32.144 491 HG1 THR 71 HG1 THR 71 32.532 17.003 -33.935 492 1HG2 THR 71 1HG2 THR 71 29.368 17.399 -34.558 493 2HG2 THR 71 2HG2 THR 71 29.333 15.689 -34.129 494 3HG2 THR 71 3HG2 THR 71 28.638 16.887 -33.036 495 H THR 72 H THR 72 32.591 18.802 -34.605 496 HA THR 72 HA THR 72 30.630 20.509 -35.993 497 HB THR 72 HB THR 72 32.961 21.397 -37.026 498 HG1 THR 72 HG1 THR 72 34.588 21.184 -35.659 499 1HG2 THR 72 1HG2 THR 72 31.175 22.283 -34.857 500 2HG2 THR 72 2HG2 THR 72 32.758 23.061 -34.895 501 3HG2 THR 72 3HG2 THR 72 31.706 23.133 -36.308 502 H GLU 73 H GLU 73 30.322 18.019 -36.645 503 HA GLU 73 HA GLU 73 31.977 17.496 -39.022 504 1HB GLU 73 1HB GLU 73 30.631 15.753 -37.035 505 2HB GLU 73 2HB GLU 73 30.641 15.188 -38.700 506 1HG GLU 73 1HG GLU 73 33.085 15.967 -37.126 507 2HG GLU 73 2HG GLU 73 32.518 14.316 -37.375 508 H GLY 74 H GLY 74 29.291 19.078 -38.428 509 1HA GLY 74 1HA GLY 74 28.197 18.563 -41.037 510 2HA GLY 74 2HA GLY 74 27.157 18.002 -39.742 511 H ARG 75 H ARG 75 28.977 20.889 -40.721 512 HA ARG 75 HA ARG 75 26.607 22.512 -40.316 513 1HB ARG 75 2HB ARG 75 27.614 22.556 -38.100 514 2HB ARG 75 1HB ARG 75 27.758 24.132 -38.865 515 1HG ARG 75 1HG ARG 75 30.101 23.296 -39.581 516 2HG ARG 75 2HG ARG 75 29.838 23.847 -37.925 517 1HD ARG 75 1HD ARG 75 30.620 21.890 -37.228 518 2HD ARG 75 2HD ARG 75 29.180 21.136 -37.911 519 HE ARG 75 HE ARG 75 30.571 20.154 -39.414 520 1HH1 ARG 75 1HH1 ARG 75 31.949 23.222 -38.512 521 2HH1 ARG 75 2HH1 ARG 75 33.332 23.048 -39.540 522 1HH2 ARG 75 1HH2 ARG 75 32.388 19.916 -40.771 523 2HH2 ARG 75 2HH2 ARG 75 33.582 21.169 -40.825 524 H GLN 76 H GLN 76 27.119 24.870 -40.910 525 HA GLN 76 HA GLN 76 29.047 24.891 -43.139 526 1HB GLN 76 1HB GLN 76 27.560 26.132 -44.470 527 2HB GLN 76 2HB GLN 76 26.557 24.892 -43.731 528 1HG GLN 76 1HG GLN 76 25.253 26.407 -42.780 529 2HG GLN 76 2HG GLN 76 26.634 27.259 -42.091 530 2HE2 GLN 76 1HE2 GLN 76 26.499 29.322 -42.594 531 1HE2 GLN 76 2HE2 GLN 76 26.090 29.969 -44.142 532 H ASP 77 H ASP 77 29.499 25.692 -40.381 533 HA ASP 77 HA ASP 77 30.301 28.459 -40.897 534 1HB ASP 77 1HB ASP 77 28.241 27.720 -39.099 535 2HB ASP 77 2HB ASP 77 29.624 28.201 -38.126 536 H GLY 78 H GLY 78 30.467 26.072 -38.262 537 1HA GLY 78 1HA GLY 78 32.725 24.930 -38.116 538 2HA GLY 78 2HA GLY 78 33.377 26.560 -38.157 539 H HIS 79 H HIS 79 30.439 25.808 -36.420 540 HA HIS 79 HA HIS 79 31.903 26.260 -33.904 541 1HB HIS 79 1HB HIS 79 28.956 26.604 -33.971 542 2HB HIS 79 2HB HIS 79 30.180 27.529 -33.108 543 HD1 HIS 79 HD1 HIS 79 27.751 28.460 -35.150 544 HD2 HIS 79 HD2 HIS 79 31.862 28.592 -35.741 545 HE1 HIS 79 HE1 HIS 79 28.124 30.228 -36.898 546 HE2 HIS 79 HE2 HIS 79 30.611 30.240 -37.291 547 H LEU 80 H LEU 80 31.925 24.686 -32.429 548 HA LEU 80 HA LEU 80 31.102 22.104 -32.884 549 1HB LEU 80 1HB LEU 80 31.671 23.651 -30.382 550 2HB LEU 80 2HB LEU 80 31.088 22.004 -30.270 551 HG LEU 80 HG LEU 80 33.017 21.133 -31.334 552 1HD1 LEU 80 1HD1 LEU 80 33.203 22.813 -33.103 553 2HD1 LEU 80 2HD1 LEU 80 33.826 23.975 -31.932 554 3HD1 LEU 80 3HD1 LEU 80 34.754 22.524 -32.315 555 1HD2 LEU 80 1HD2 LEU 80 33.187 22.019 -28.940 556 2HD2 LEU 80 2HD2 LEU 80 34.691 21.665 -29.793 557 3HD2 LEU 80 3HD2 LEU 80 34.139 23.333 -29.632 558 H TRP 81 H TRP 81 29.200 21.073 -32.875 559 HA TRP 81 HA TRP 81 26.951 22.303 -31.434 560 1HB TRP 81 1HB TRP 81 25.456 21.862 -33.268 561 2HB TRP 81 2HB TRP 81 26.828 22.779 -33.882 562 HD1 TRP 81 HD1 TRP 81 28.156 21.742 -35.852 563 HE1 TRP 81 HE1 TRP 81 28.023 19.525 -37.149 564 HE3 TRP 81 HE3 TRP 81 24.865 19.226 -32.847 565 HZ2 TRP 81 HZ2 TRP 81 26.705 17.041 -36.934 566 HZ3 TRP 81 HZ3 TRP 81 24.222 16.935 -33.467 567 HH2 TRP 81 HH2 TRP 81 25.124 15.866 -35.467 568 H CYS 82 H CYS 82 25.388 20.904 -30.630 569 HA CYS 82 HA CYS 82 25.996 18.032 -30.786 570 1HB CYS 82 2HB CYS 82 26.839 18.892 -28.642 571 2HB CYS 82 1HB CYS 82 25.486 17.794 -28.399 572 H SER 83 H SER 83 24.080 16.722 -29.894 573 HA SER 83 HA SER 83 21.654 17.841 -31.093 574 1HB SER 83 1HB SER 83 22.235 15.702 -32.000 575 2HB SER 83 2HB SER 83 22.452 15.010 -30.392 576 HG SER 83 HG SER 83 19.976 16.078 -30.709 577 H THR 84 H THR 84 19.961 18.450 -29.901 578 HA THR 84 HA THR 84 20.122 18.425 -27.053 579 HB THR 84 HB THR 84 17.868 19.464 -27.125 580 HG1 THR 84 HG1 THR 84 18.114 19.385 -29.954 581 1HG2 THR 84 1HG2 THR 84 20.106 20.692 -27.520 582 2HG2 THR 84 2HG2 THR 84 19.574 20.800 -29.199 583 3HG2 THR 84 3HG2 THR 84 18.606 21.531 -27.919 584 H THR 85 H THR 85 18.363 16.552 -29.452 585 HA THR 85 HA THR 85 17.371 14.840 -27.271 586 HB THR 85 HB THR 85 15.632 16.218 -28.622 587 HG1 THR 85 HG1 THR 85 14.485 14.783 -27.581 588 1HG2 THR 85 1HG2 THR 85 16.247 13.989 -30.562 589 2HG2 THR 85 2HG2 THR 85 14.824 15.030 -30.640 590 3HG2 THR 85 3HG2 THR 85 16.434 15.720 -30.851 591 H SER 86 H SER 86 16.871 12.581 -28.035 592 HA SER 86 HA SER 86 19.191 11.437 -29.158 593 1HB SER 86 1HB SER 86 16.890 9.675 -29.290 594 2HB SER 86 2HB SER 86 18.341 9.546 -28.297 595 HG SER 86 HG SER 86 15.863 10.678 -27.704 596 H ASN 87 H ASN 87 15.977 12.088 -30.476 597 HA ASN 87 HA ASN 87 16.810 11.051 -33.077 598 1HB ASN 87 1HB ASN 87 14.358 11.090 -31.696 599 2HB ASN 87 2HB ASN 87 14.157 12.182 -33.062 600 2HD2 ASN 87 1HD2 ASN 87 12.633 10.017 -33.051 601 1HD2 ASN 87 2HD2 ASN 87 13.175 8.855 -34.209 602 H TYR 88 H TYR 88 18.378 12.864 -33.265 603 HA TYR 88 HA TYR 88 17.386 15.528 -33.599 604 1HB TYR 88 1HB TYR 88 19.612 15.569 -32.987 605 2HB TYR 88 2HB TYR 88 20.015 14.156 -33.954 606 HD1 TYR 88 HD1 TYR 88 20.291 14.399 -36.425 607 HD2 TYR 88 HD2 TYR 88 19.851 17.764 -33.861 608 HE1 TYR 88 HE1 TYR 88 21.184 15.856 -38.194 609 HE2 TYR 88 HE2 TYR 88 20.741 19.230 -35.621 610 HH TYR 88 HH TYR 88 22.475 18.468 -37.949 611 H GLU 89 H GLU 89 17.838 12.759 -35.629 612 HA GLU 89 HA GLU 89 17.845 14.103 -38.124 613 1HB GLU 89 1HB GLU 89 17.436 11.279 -37.237 614 2HB GLU 89 2HB GLU 89 17.016 11.722 -38.886 615 1HG GLU 89 1HG GLU 89 19.448 12.790 -38.795 616 2HG GLU 89 2HG GLU 89 19.663 11.527 -37.585 617 H GLN 90 H GLN 90 15.327 13.060 -35.961 618 HA GLN 90 HA GLN 90 13.276 13.546 -37.975 619 1HB GLN 90 1HB GLN 90 11.818 12.328 -36.692 620 2HB GLN 90 2HB GLN 90 13.341 11.595 -36.207 621 1HG GLN 90 2HG GLN 90 13.178 13.571 -34.401 622 2HG GLN 90 1HG GLN 90 12.550 11.944 -34.143 623 2HE2 GLN 90 1HE2 GLN 90 11.577 14.134 -32.766 624 1HE2 GLN 90 2HE2 GLN 90 9.950 14.437 -33.261 625 H ASP 91 H ASP 91 14.508 14.879 -34.980 626 HA ASP 91 HA ASP 91 12.457 16.935 -34.915 627 1HB ASP 91 1HB ASP 91 13.772 15.717 -32.918 628 2HB ASP 91 2HB ASP 91 14.835 17.103 -33.146 629 H GLN 92 H GLN 92 15.995 16.779 -35.228 630 HA GLN 92 HA GLN 92 17.420 18.056 -36.487 631 1HB GLN 92 1HB GLN 92 15.124 18.376 -37.865 632 2HB GLN 92 2HB GLN 92 15.371 20.027 -37.316 633 1HG GLN 92 1HG GLN 92 16.435 20.017 -39.355 634 2HG GLN 92 2HG GLN 92 17.766 19.723 -38.237 635 2HE2 GLN 92 1HE2 GLN 92 15.267 17.678 -39.712 636 1HE2 GLN 92 2HE2 GLN 92 16.362 16.504 -40.351 637 H LYS 93 H LYS 93 16.656 18.527 -33.716 638 HA LYS 93 HA LYS 93 17.186 21.416 -33.522 639 1HB LYS 93 1HB LYS 93 16.471 20.579 -30.981 640 2HB LYS 93 2HB LYS 93 15.446 21.436 -32.120 641 1HG LYS 93 2HG LYS 93 15.001 18.957 -32.981 642 2HG LYS 93 1HG LYS 93 14.078 19.697 -31.674 643 1HD LYS 93 1HD LYS 93 15.035 17.327 -31.320 644 2HD LYS 93 2HD LYS 93 16.581 18.152 -31.100 645 1HE LYS 93 1HE LYS 93 15.819 18.061 -28.935 646 2HE LYS 93 2HE LYS 93 15.207 19.635 -29.439 647 1HZ LYS 93 1HZ LYS 93 13.270 17.785 -30.131 648 2HZ LYS 93 2HZ LYS 93 13.762 17.368 -28.568 649 3HZ LYS 93 3HZ LYS 93 13.197 18.929 -28.887 650 H TYR 94 H TYR 94 19.333 21.627 -33.435 651 HA TYR 94 HA TYR 94 20.803 19.975 -31.487 652 1HB TYR 94 1HB TYR 94 22.740 20.101 -32.872 653 2HB TYR 94 2HB TYR 94 21.399 19.671 -33.927 654 HD1 TYR 94 HD1 TYR 94 23.614 22.440 -32.888 655 HD2 TYR 94 HD2 TYR 94 20.753 21.086 -35.727 656 HE1 TYR 94 HE1 TYR 94 24.158 24.350 -34.336 657 HE2 TYR 94 HE2 TYR 94 21.288 22.992 -37.184 658 HH TYR 94 HH TYR 94 22.387 24.937 -37.343 659 H SER 95 H SER 95 22.799 21.067 -30.632 660 HA SER 95 HA SER 95 22.281 23.931 -30.176 661 1HB SER 95 1HB SER 95 23.861 22.607 -28.101 662 2HB SER 95 2HB SER 95 22.454 23.657 -27.944 663 HG SER 95 HG SER 95 22.600 20.886 -28.103 664 H PHE 96 H PHE 96 24.420 24.945 -29.180 665 HA PHE 96 HA PHE 96 26.593 24.166 -31.006 666 1HB PHE 96 1HB PHE 96 25.482 26.781 -30.209 667 2HB PHE 96 2HB PHE 96 27.235 26.702 -30.296 668 HD1 PHE 96 HD1 PHE 96 27.470 24.724 -32.548 669 HD2 PHE 96 HD2 PHE 96 25.017 28.159 -32.041 670 HE1 PHE 96 HE1 PHE 96 27.351 24.990 -34.990 671 HE2 PHE 96 HE2 PHE 96 24.890 28.435 -34.484 672 HZ PHE 96 HZ PHE 96 26.057 26.847 -35.961 673 H CYS 97 H CYS 97 28.719 25.383 -30.087 674 HA CYS 97 HA CYS 97 29.019 24.942 -27.232 675 1HB CYS 97 1HB CYS 97 29.720 22.921 -29.061 676 2HB CYS 97 2HB CYS 97 31.236 23.665 -28.565 677 H THR 98 H THR 98 30.394 26.377 -26.362 678 HA THR 98 HA THR 98 31.435 28.492 -27.873 679 HB THR 98 HB THR 98 32.810 28.916 -25.723 680 HG1 THR 98 HG1 THR 98 32.269 27.685 -23.975 681 1HG2 THR 98 1HG2 THR 98 30.337 29.664 -26.487 682 2HG2 THR 98 2HG2 THR 98 29.956 28.822 -24.985 683 3HG2 THR 98 3HG2 THR 98 31.087 30.175 -24.976 684 H ASP 99 H ASP 99 33.685 26.920 -25.723 685 HA ASP 99 HA ASP 99 35.682 25.844 -26.092 686 1HB ASP 99 1HB ASP 99 34.389 25.028 -28.261 687 2HB ASP 99 2HB ASP 99 35.497 26.140 -29.058 688 H HIS 100 H HIS 100 35.193 28.244 -28.689 689 HA HIS 100 HA HIS 100 37.835 29.267 -28.513 690 1HB HIS 100 1HB HIS 100 35.362 29.941 -29.988 691 2HB HIS 100 2HB HIS 100 36.491 31.269 -29.738 692 HD1 HIS 100 HD1 HIS 100 36.971 27.625 -30.763 693 HD2 HIS 100 HD2 HIS 100 38.038 31.468 -31.932 694 HE1 HIS 100 HE1 HIS 100 38.441 27.330 -32.782 695 HE2 HIS 100 HE2 HIS 100 39.146 29.664 -33.418 696 H THR 101 H THR 101 34.956 31.272 -28.108 697 HA THR 101 HA THR 101 35.293 31.978 -25.433 698 HB THR 101 HB THR 101 37.380 32.982 -25.857 699 HG1 THR 101 HG1 THR 101 36.146 34.412 -24.672 700 1HG2 THR 101 1HG2 THR 101 36.224 33.537 -28.463 701 2HG2 THR 101 2HG2 THR 101 37.075 34.932 -27.801 702 3HG2 THR 101 3HG2 THR 101 37.915 33.392 -27.988 No H/Q in entry = 702 Start of MODEL 22 1 H1 TYR 1 H1 TYR 1 47.690 5.395 -45.200 2 H2 TYR 1 H2 TYR 1 47.285 5.916 -46.758 3 H3 TYR 1 H3 TYR 1 46.303 6.332 -45.446 4 HA TYR 1 HA TYR 1 45.053 4.609 -46.043 5 1HB TYR 1 1HB TYR 1 47.051 4.476 -47.972 6 2HB TYR 1 2HB TYR 1 47.026 2.857 -47.284 7 HD1 TYR 1 HD1 TYR 1 44.981 5.414 -48.995 8 HD2 TYR 1 HD2 TYR 1 45.236 1.357 -47.739 9 HE1 TYR 1 HE1 TYR 1 43.015 4.872 -50.369 10 HE2 TYR 1 HE2 TYR 1 43.271 0.802 -49.110 11 HH TYR 1 HH TYR 1 41.872 3.104 -51.331 12 H GLY 2 H GLY 2 45.095 4.249 -43.732 13 1HA GLY 2 1HA GLY 2 45.931 1.568 -43.094 14 2HA GLY 2 2HA GLY 2 46.839 2.798 -42.229 15 H HIS 3 H HIS 3 45.637 1.248 -40.575 16 HA HIS 3 HA HIS 3 43.117 2.586 -39.839 17 1HB HIS 3 1HB HIS 3 43.923 -0.266 -39.830 18 2HB HIS 3 2HB HIS 3 42.978 0.281 -38.451 19 HD1 HIS 3 HD1 HIS 3 42.608 1.118 -42.145 20 HD2 HIS 3 HD2 HIS 3 40.456 -0.530 -38.996 21 HE1 HIS 3 HE1 HIS 3 40.307 0.680 -43.060 22 HE2 HIS 3 HE2 HIS 3 39.059 -0.422 -41.170 23 H CYS 4 H CYS 4 42.676 2.494 -37.439 24 HA CYS 4 HA CYS 4 45.187 2.997 -35.981 25 1HB CYS 4 1HB CYS 4 43.344 4.246 -34.447 26 2HB CYS 4 2HB CYS 4 44.219 5.031 -35.753 27 H VAL 5 H VAL 5 45.291 2.376 -33.758 28 HA VAL 5 HA VAL 5 43.254 0.531 -32.784 29 HB VAL 5 HB VAL 5 46.096 -0.409 -32.698 30 1HG1 VAL 5 1HG1 VAL 5 43.582 -1.363 -31.801 31 2HG1 VAL 5 2HG1 VAL 5 44.163 -2.461 -33.053 32 3HG1 VAL 5 3HG1 VAL 5 45.166 -2.123 -31.642 33 1HG2 VAL 5 1HG2 VAL 5 44.177 -0.752 -34.994 34 2HG2 VAL 5 2HG2 VAL 5 45.802 -0.068 -35.035 35 3HG2 VAL 5 3HG2 VAL 5 45.578 -1.791 -34.732 36 H THR 6 H THR 6 43.353 0.157 -30.533 37 HA THR 6 HA THR 6 44.591 2.317 -29.064 38 HB THR 6 HB THR 6 43.381 1.468 -27.126 39 HG1 THR 6 HG1 THR 6 43.339 -0.704 -27.278 40 1HG2 THR 6 1HG2 THR 6 42.015 1.940 -29.708 41 2HG2 THR 6 2HG2 THR 6 41.026 1.283 -28.405 42 3HG2 THR 6 3HG2 THR 6 41.880 2.809 -28.179 43 H ASP 7 H ASP 7 44.768 -1.234 -29.077 44 HA ASP 7 HA ASP 7 47.534 -1.211 -28.410 45 1HB ASP 7 1HB ASP 7 46.164 -0.794 -26.197 46 2HB ASP 7 2HB ASP 7 45.904 -2.533 -26.281 47 H SER 8 H SER 8 44.559 -3.134 -28.314 48 HA SER 8 HA SER 8 45.266 -4.936 -30.283 49 1HB SER 8 1HB SER 8 47.101 -5.683 -28.894 50 2HB SER 8 2HB SER 8 46.021 -5.909 -27.518 51 HG SER 8 HG SER 8 46.290 -7.445 -29.850 52 H GLY 9 H GLY 9 42.937 -3.777 -29.776 53 1HA GLY 9 1HA GLY 9 41.199 -6.043 -29.276 54 2HA GLY 9 2HA GLY 9 41.025 -4.717 -28.137 55 H VAL 10 H VAL 10 41.215 -2.512 -29.646 56 HA VAL 10 HA VAL 10 38.930 -2.774 -31.484 57 HB VAL 10 HB VAL 10 39.851 -0.396 -29.867 58 1HG1 VAL 10 1HG1 VAL 10 37.676 -0.622 -31.939 59 2HG1 VAL 10 2HG1 VAL 10 37.801 0.705 -30.784 60 3HG1 VAL 10 3HG1 VAL 10 39.082 0.443 -31.966 61 1HG2 VAL 10 1HG2 VAL 10 38.646 -2.092 -28.587 62 2HG2 VAL 10 2HG2 VAL 10 37.684 -0.624 -28.759 63 3HG2 VAL 10 3HG2 VAL 10 37.322 -2.037 -29.751 64 H VAL 11 H VAL 11 39.626 -2.859 -33.520 65 HA VAL 11 HA VAL 11 41.994 -1.372 -34.333 66 HB VAL 11 HB VAL 11 40.281 -3.395 -35.772 67 1HG1 VAL 11 1HG1 VAL 11 42.092 -1.392 -36.855 68 2HG1 VAL 11 2HG1 VAL 11 42.545 -3.037 -37.301 69 3HG1 VAL 11 3HG1 VAL 11 40.932 -2.433 -37.680 70 1HG2 VAL 11 1HG2 VAL 11 43.090 -3.423 -34.687 71 2HG2 VAL 11 2HG2 VAL 11 41.726 -4.423 -34.188 72 3HG2 VAL 11 3HG2 VAL 11 42.456 -4.657 -35.776 73 H TYR 12 H TYR 12 41.009 0.729 -34.069 74 HA TYR 12 HA TYR 12 38.726 1.602 -35.432 75 1HB TYR 12 1HB TYR 12 41.192 3.085 -34.512 76 2HB TYR 12 2HB TYR 12 39.794 3.896 -35.205 77 HD1 TYR 12 HD1 TYR 12 37.532 3.531 -34.039 78 HD2 TYR 12 HD2 TYR 12 41.277 2.630 -32.236 79 HE1 TYR 12 HE1 TYR 12 36.471 3.601 -31.821 80 HE2 TYR 12 HE2 TYR 12 40.228 2.697 -30.010 81 HH TYR 12 HH TYR 12 36.898 2.657 -29.544 82 H SER 13 H SER 13 39.356 3.731 -36.995 83 HA SER 13 HA SER 13 41.067 2.712 -39.144 84 1HB SER 13 1HB SER 13 38.226 3.678 -39.514 85 2HB SER 13 2HB SER 13 39.345 3.308 -40.825 86 HG SER 13 HG SER 13 37.910 1.615 -39.187 87 H VAL 14 H VAL 14 42.003 4.276 -40.441 88 HA VAL 14 HA VAL 14 42.826 6.623 -39.362 89 HB VAL 14 HB VAL 14 43.858 5.823 -41.365 90 1HG1 VAL 14 1HG1 VAL 14 41.125 5.737 -42.333 91 2HG1 VAL 14 2HG1 VAL 14 42.218 6.493 -43.491 92 3HG1 VAL 14 3HG1 VAL 14 42.551 4.866 -42.897 93 1HG2 VAL 14 1HG2 VAL 14 43.885 8.273 -40.937 94 2HG2 VAL 14 2HG2 VAL 14 44.071 7.847 -42.639 95 3HG2 VAL 14 3HG2 VAL 14 42.521 8.439 -42.042 96 H GLY 15 H GLY 15 41.126 7.660 -38.260 97 1HA GLY 15 1HA GLY 15 39.925 9.723 -38.348 98 2HA GLY 15 2HA GLY 15 39.497 9.364 -40.011 99 H MET 16 H MET 16 39.212 7.238 -37.198 100 HA MET 16 HA MET 16 36.380 6.900 -37.820 101 1HB MET 16 1HB MET 16 38.456 5.287 -36.500 102 2HB MET 16 2HB MET 16 36.876 5.206 -35.734 103 1HG MET 16 1HG MET 16 36.908 4.907 -38.664 104 2HG MET 16 2HG MET 16 37.648 3.603 -37.737 105 1HE MET 16 1HE MET 16 36.755 1.965 -36.710 106 2HE MET 16 2HE MET 16 35.668 2.426 -35.400 107 3HE MET 16 3HE MET 16 35.069 1.452 -36.742 108 H GLN 17 H GLN 17 38.489 8.132 -35.319 109 HA GLN 17 HA GLN 17 38.107 9.316 -33.417 110 1HB GLN 17 1HB GLN 17 36.183 10.204 -35.340 111 2HB GLN 17 2HB GLN 17 35.434 10.210 -33.748 112 1HG GLN 17 1HG GLN 17 37.550 11.455 -32.990 113 2HG GLN 17 2HG GLN 17 37.820 11.736 -34.710 114 2HE2 GLN 17 1HE2 GLN 17 37.581 13.925 -33.320 115 1HE2 GLN 17 2HE2 GLN 17 36.031 14.664 -33.503 116 H TRP 18 H TRP 18 37.444 8.891 -31.371 117 HA TRP 18 HA TRP 18 34.994 7.501 -30.822 118 1HB TRP 18 1HB TRP 18 35.873 5.457 -29.996 119 2HB TRP 18 2HB TRP 18 36.607 5.694 -31.579 120 HD1 TRP 18 HD1 TRP 18 37.473 5.868 -27.835 121 HE1 TRP 18 HE1 TRP 18 40.021 5.641 -27.583 122 HE3 TRP 18 HE3 TRP 18 38.796 5.978 -32.777 123 HZ2 TRP 18 HZ2 TRP 18 42.297 5.527 -29.258 124 HZ3 TRP 18 HZ3 TRP 18 41.176 5.803 -33.363 125 HH2 TRP 18 HH2 TRP 18 42.888 5.580 -31.640 126 H LEU 19 H LEU 19 35.160 6.710 -28.358 127 HA LEU 19 HA LEU 19 36.444 8.886 -26.845 128 1HB LEU 19 1HB LEU 19 33.871 8.966 -27.187 129 2HB LEU 19 2HB LEU 19 33.834 7.669 -26.009 130 HG LEU 19 HG LEU 19 35.335 9.419 -24.645 131 1HD1 LEU 19 1HD1 LEU 19 35.077 11.018 -26.632 132 2HD1 LEU 19 2HD1 LEU 19 33.425 11.245 -26.060 133 3HD1 LEU 19 3HD1 LEU 19 34.784 11.654 -25.013 134 1HD2 LEU 19 1HD2 LEU 19 32.948 8.312 -24.296 135 2HD2 LEU 19 2HD2 LEU 19 33.534 9.623 -23.272 136 3HD2 LEU 19 3HD2 LEU 19 32.422 9.970 -24.597 137 H LYS 20 H LYS 20 37.398 8.358 -24.929 138 HA LYS 20 HA LYS 20 37.070 5.661 -23.866 139 1HB LYS 20 1HB LYS 20 39.429 5.176 -23.854 140 2HB LYS 20 2HB LYS 20 38.944 5.555 -25.500 141 1HG LYS 20 1HG LYS 20 40.270 7.352 -25.610 142 2HG LYS 20 2HG LYS 20 39.888 7.859 -23.964 143 1HD LYS 20 1HD LYS 20 41.681 5.518 -24.558 144 2HD LYS 20 2HD LYS 20 42.291 7.168 -24.420 145 1HE LYS 20 1HE LYS 20 40.732 6.910 -22.177 146 2HE LYS 20 2HE LYS 20 41.434 5.301 -22.345 147 1HZ LYS 20 1HZ LYS 20 43.125 7.713 -22.514 148 2HZ LYS 20 2HZ LYS 20 42.710 7.052 -21.012 149 3HZ LYS 20 3HZ LYS 20 43.575 6.127 -22.133 150 H THR 21 H THR 21 38.678 5.490 -21.861 151 HA THR 21 HA THR 21 38.898 8.016 -20.432 152 HB THR 21 HB THR 21 36.699 7.486 -19.754 153 HG1 THR 21 HG1 THR 21 37.601 7.966 -17.866 154 1HG2 THR 21 1HG2 THR 21 37.065 5.005 -20.557 155 2HG2 THR 21 2HG2 THR 21 37.395 4.730 -18.846 156 3HG2 THR 21 3HG2 THR 21 35.838 5.390 -19.350 157 H GLN 22 H GLN 22 39.757 7.503 -18.107 158 HA GLN 22 HA GLN 22 41.917 5.536 -18.437 159 1HB GLN 22 2HB GLN 22 43.277 6.869 -17.046 160 2HB GLN 22 1HB GLN 22 41.902 7.773 -16.427 161 1HG GLN 22 1HG GLN 22 42.135 8.046 -19.291 162 2HG GLN 22 2HG GLN 22 42.061 9.285 -18.038 163 2HE2 GLN 22 1HE2 GLN 22 43.803 10.477 -17.751 164 1HE2 GLN 22 2HE2 GLN 22 45.401 10.086 -18.280 165 H GLY 23 H GLY 23 39.250 6.498 -16.421 166 1HA GLY 23 1HA GLY 23 38.402 4.396 -15.216 167 2HA GLY 23 2HA GLY 23 39.982 4.435 -14.455 168 H ASN 24 H ASN 24 37.966 7.210 -15.230 169 HA ASN 24 HA ASN 24 36.747 7.564 -12.745 170 1HB ASN 24 1HB ASN 24 38.899 7.826 -11.744 171 2HB ASN 24 2HB ASN 24 39.439 8.899 -13.030 172 2HD2 ASN 24 1HD2 ASN 24 36.999 8.623 -10.485 173 1HD2 ASN 24 2HD2 ASN 24 36.960 10.306 -10.097 174 H LYS 25 H LYS 25 38.189 9.019 -15.580 175 HA LYS 25 HA LYS 25 35.912 10.880 -15.698 176 1HB LYS 25 1HB LYS 25 37.316 12.634 -16.556 177 2HB LYS 25 2HB LYS 25 38.012 12.055 -15.049 178 1HG LYS 25 1HG LYS 25 39.192 10.521 -17.071 179 2HG LYS 25 2HG LYS 25 39.179 12.184 -17.663 180 1HD LYS 25 1HD LYS 25 40.730 12.835 -16.183 181 2HD LYS 25 2HD LYS 25 39.957 11.962 -14.859 182 1HE LYS 25 1HE LYS 25 40.994 9.967 -16.487 183 2HE LYS 25 2HE LYS 25 42.234 11.221 -16.492 184 1HZ LYS 25 1HZ LYS 25 41.007 10.190 -14.000 185 2HZ LYS 25 2HZ LYS 25 42.404 9.519 -14.677 186 3HZ LYS 25 3HZ LYS 25 42.407 11.128 -14.157 187 H GLN 26 H GLN 26 37.050 11.937 -18.264 188 HA GLN 26 HA GLN 26 36.681 9.601 -19.997 189 1HB GLN 26 2HB GLN 26 35.146 10.843 -21.431 190 2HB GLN 26 1HB GLN 26 35.259 12.242 -20.372 191 1HG GLN 26 1HG GLN 26 33.761 9.716 -20.033 192 2HG GLN 26 2HG GLN 26 34.446 10.449 -18.583 193 2HE2 GLN 26 1HE2 GLN 26 32.200 10.680 -17.952 194 1HE2 GLN 26 2HE2 GLN 26 31.300 12.043 -18.513 195 H MET 27 H MET 27 37.435 9.921 -22.189 196 HA MET 27 HA MET 27 39.080 12.244 -22.726 197 1HB MET 27 1HB MET 27 40.234 9.939 -21.598 198 2HB MET 27 2HB MET 27 40.680 9.920 -23.300 199 1HG MET 27 1HG MET 27 41.550 12.210 -23.069 200 2HG MET 27 2HG MET 27 41.157 12.165 -21.351 201 1HE MET 27 1HE MET 27 43.621 13.071 -22.325 202 2HE MET 27 2HE MET 27 44.971 12.186 -21.616 203 3HE MET 27 3HE MET 27 44.553 11.944 -23.312 204 H LEU 28 H LEU 28 38.834 12.782 -24.789 205 HA LEU 28 HA LEU 28 37.599 10.879 -26.610 206 1HB LEU 28 1HB LEU 28 36.977 13.376 -26.306 207 2HB LEU 28 2HB LEU 28 38.377 13.690 -27.315 208 HG LEU 28 HG LEU 28 36.826 11.710 -28.626 209 1HD1 LEU 28 1HD1 LEU 28 35.080 12.851 -27.013 210 2HD1 LEU 28 2HD1 LEU 28 35.111 14.107 -28.251 211 3HD1 LEU 28 3HD1 LEU 28 34.670 12.455 -28.683 212 1HD2 LEU 28 1HD2 LEU 28 38.356 13.547 -29.512 213 2HD2 LEU 28 2HD2 LEU 28 36.875 13.230 -30.415 214 3HD2 LEU 28 3HD2 LEU 28 36.971 14.625 -29.339 215 H CYS 29 H CYS 29 38.793 9.603 -27.845 216 HA CYS 29 HA CYS 29 41.527 10.428 -28.524 217 1HB CYS 29 1HB CYS 29 40.177 7.791 -28.182 218 2HB CYS 29 2HB CYS 29 41.558 7.891 -29.266 219 H THR 30 H THR 30 42.300 10.317 -30.638 220 HA THR 30 HA THR 30 40.433 9.693 -32.789 221 HB THR 30 HB THR 30 41.770 12.401 -32.607 222 HG1 THR 30 HG1 THR 30 39.521 13.100 -32.546 223 1HG2 THR 30 1HG2 THR 30 39.965 11.206 -34.714 224 2HG2 THR 30 2HG2 THR 30 40.490 12.889 -34.665 225 3HG2 THR 30 3HG2 THR 30 41.675 11.602 -34.900 226 H CYS 31 H CYS 31 41.433 8.837 -34.533 227 HA CYS 31 HA CYS 31 44.364 8.782 -34.463 228 1HB CYS 31 1HB CYS 31 44.088 6.872 -36.103 229 2HB CYS 31 2HB CYS 31 43.500 6.573 -34.474 230 H LEU 32 H LEU 32 45.213 10.353 -35.614 231 HA LEU 32 HA LEU 32 43.885 11.489 -37.895 232 1HB LEU 32 1HB LEU 32 46.304 12.629 -38.006 233 2HB LEU 32 2HB LEU 32 45.036 13.175 -36.925 234 HG LEU 32 HG LEU 32 46.879 11.093 -35.889 235 1HD1 LEU 32 1HD1 LEU 32 48.090 13.101 -37.179 236 2HD1 LEU 32 2HD1 LEU 32 47.839 13.865 -35.608 237 3HD1 LEU 32 3HD1 LEU 32 48.738 12.351 -35.720 238 1HD2 LEU 32 1HD2 LEU 32 44.906 12.828 -34.880 239 2HD2 LEU 32 2HD2 LEU 32 45.920 11.699 -33.983 240 3HD2 LEU 32 3HD2 LEU 32 46.446 13.367 -34.210 241 H GLY 33 H GLY 33 47.336 10.942 -38.028 242 1HA GLY 33 1HA GLY 33 46.952 8.961 -40.166 243 2HA GLY 33 2HA GLY 33 47.881 10.413 -40.500 244 H ASN 34 H ASN 34 49.257 10.633 -38.074 245 HA ASN 34 HA ASN 34 51.309 8.666 -38.508 246 1HB ASN 34 1HB ASN 34 52.375 9.932 -36.515 247 2HB ASN 34 2HB ASN 34 52.187 10.780 -38.047 248 2HD2 ASN 34 1HD2 ASN 34 51.266 10.607 -34.748 249 1HD2 ASN 34 2HD2 ASN 34 50.288 12.031 -34.716 250 H GLY 35 H GLY 35 49.042 9.459 -35.909 251 1HA GLY 35 1HA GLY 35 49.181 6.719 -34.967 252 2HA GLY 35 2HA GLY 35 49.803 7.916 -33.842 253 H VAL 36 H VAL 36 48.365 8.213 -32.290 254 HA VAL 36 HA VAL 36 45.602 8.830 -33.045 255 HB VAL 36 HB VAL 36 46.491 6.623 -31.248 256 1HG1 VAL 36 1HG1 VAL 36 44.387 8.566 -30.540 257 2HG1 VAL 36 2HG1 VAL 36 43.951 6.864 -30.392 258 3HG1 VAL 36 3HG1 VAL 36 45.340 7.498 -29.510 259 1HG2 VAL 36 1HG2 VAL 36 45.369 6.547 -33.610 260 2HG2 VAL 36 2HG2 VAL 36 44.935 5.375 -32.364 261 3HG2 VAL 36 3HG2 VAL 36 43.888 6.759 -32.674 262 H SER 37 H SER 37 45.096 10.751 -32.260 263 HA SER 37 HA SER 37 46.408 11.667 -29.787 264 1HB SER 37 1HB SER 37 46.716 12.911 -32.074 265 2HB SER 37 2HB SER 37 45.107 13.545 -31.732 266 HG SER 37 HG SER 37 47.400 14.413 -30.789 267 H CYS 38 H CYS 38 45.173 12.130 -28.068 268 HA CYS 38 HA CYS 38 42.256 12.237 -28.471 269 1HB CYS 38 1HB CYS 38 43.434 11.385 -25.863 270 2HB CYS 38 2HB CYS 38 41.892 10.949 -26.585 271 H GLN 39 H GLN 39 41.052 13.636 -27.156 272 HA GLN 39 HA GLN 39 42.634 15.815 -25.967 273 1HB GLN 39 1HB GLN 39 41.161 16.274 -28.020 274 2HB GLN 39 2HB GLN 39 39.793 16.067 -26.934 275 1HG GLN 39 1HG GLN 39 40.996 17.840 -25.483 276 2HG GLN 39 2HG GLN 39 41.871 18.209 -26.968 277 2HE2 GLN 39 1HE2 GLN 39 40.294 18.328 -28.930 278 1HE2 GLN 39 2HE2 GLN 39 38.906 19.326 -28.680 279 H GLU 40 H GLU 40 42.673 15.571 -23.827 280 HA GLU 40 HA GLU 40 41.095 14.080 -22.205 281 1HB GLU 40 1HB GLU 40 43.034 16.095 -21.834 282 2HB GLU 40 2HB GLU 40 41.665 16.535 -20.821 283 1HG GLU 40 1HG GLU 40 41.910 13.868 -20.314 284 2HG GLU 40 2HG GLU 40 43.589 14.358 -20.542 285 H THR 41 H THR 41 38.940 14.070 -22.709 286 HA THR 41 HA THR 41 37.272 16.249 -23.130 287 HB THR 41 HB THR 41 36.704 13.502 -22.025 288 HG1 THR 41 HG1 THR 41 36.274 13.056 -24.074 289 1HG2 THR 41 1HG2 THR 41 34.959 15.854 -22.062 290 2HG2 THR 41 2HG2 THR 41 34.275 14.443 -22.868 291 3HG2 THR 41 3HG2 THR 41 34.793 14.333 -21.185 292 H ALA 42 H ALA 42 38.402 14.783 -20.161 293 HA ALA 42 HA ALA 42 38.297 15.437 -17.980 294 1HB ALA 42 3HB ALA 42 39.230 17.496 -18.425 295 2HB ALA 42 1HB ALA 42 37.872 18.011 -19.427 296 3HB ALA 42 2HB ALA 42 37.702 17.957 -17.672 297 H VAL 43 H VAL 43 35.846 14.572 -19.553 298 HA VAL 43 HA VAL 43 33.603 14.302 -19.253 299 HB VAL 43 HB VAL 43 32.868 13.834 -17.035 300 1HG1 VAL 43 1HG1 VAL 43 35.511 12.946 -17.912 301 2HG1 VAL 43 2HG1 VAL 43 35.213 12.727 -16.188 302 3HG1 VAL 43 3HG1 VAL 43 34.120 12.008 -17.369 303 1HG2 VAL 43 1HG2 VAL 43 33.868 15.996 -16.106 304 2HG2 VAL 43 2HG2 VAL 43 33.868 14.582 -15.051 305 3HG2 VAL 43 3HG2 VAL 43 35.349 15.066 -15.877 306 H THR 44 H THR 44 31.625 15.286 -17.894 307 HA THR 44 HA THR 44 31.889 18.217 -17.920 308 HB THR 44 HB THR 44 29.327 17.921 -18.753 309 HG1 THR 44 HG1 THR 44 29.091 15.979 -19.552 310 1HG2 THR 44 1HG2 THR 44 31.851 18.696 -19.906 311 2HG2 THR 44 2HG2 THR 44 30.817 17.954 -21.127 312 3HG2 THR 44 3HG2 THR 44 30.238 19.344 -20.209 313 H GLN 45 H GLN 45 29.862 19.255 -16.924 314 HA GLN 45 HA GLN 45 29.290 17.821 -14.430 315 1HB GLN 45 2HB GLN 45 28.768 19.966 -13.465 316 2HB GLN 45 1HB GLN 45 28.816 20.741 -15.042 317 1HG GLN 45 1HG GLN 45 31.227 19.375 -13.907 318 2HG GLN 45 2HG GLN 45 31.140 20.593 -15.178 319 2HE2 GLN 45 1HE2 GLN 45 32.247 20.201 -12.233 320 1HE2 GLN 45 2HE2 GLN 45 31.987 21.768 -11.554 321 H THR 46 H THR 46 27.130 18.065 -13.488 322 HA THR 46 HA THR 46 24.987 18.464 -15.450 323 HB THR 46 HB THR 46 23.833 16.420 -14.477 324 HG1 THR 46 HG1 THR 46 26.171 16.362 -13.086 325 1HG2 THR 46 1HG2 THR 46 25.082 16.604 -16.721 326 2HG2 THR 46 2HG2 THR 46 26.359 15.683 -15.927 327 3HG2 THR 46 3HG2 THR 46 24.745 14.990 -16.094 328 H TYR 47 H TYR 47 22.896 18.843 -14.489 329 HA TYR 47 HA TYR 47 22.566 19.063 -11.669 330 1HB TYR 47 1HB TYR 47 22.583 21.418 -11.373 331 2HB TYR 47 2HB TYR 47 24.075 21.032 -12.226 332 HD1 TYR 47 HD1 TYR 47 24.377 21.674 -14.558 333 HD2 TYR 47 HD2 TYR 47 20.802 22.647 -12.467 334 HE1 TYR 47 HE1 TYR 47 23.784 23.274 -16.328 335 HE2 TYR 47 HE2 TYR 47 20.199 24.249 -14.231 336 HH TYR 47 HH TYR 47 21.914 25.633 -16.130 337 H GLY 48 H GLY 48 20.471 18.749 -11.308 338 1HA GLY 48 1HA GLY 48 18.191 18.803 -11.548 339 2HA GLY 48 2HA GLY 48 18.412 20.208 -12.578 340 H GLY 49 H GLY 49 17.528 19.956 -14.503 341 1HA GLY 49 1HA GLY 49 16.930 19.014 -16.513 342 2HA GLY 49 2HA GLY 49 18.163 17.795 -16.221 343 H ASN 50 H ASN 50 16.675 16.267 -17.180 344 HA ASN 50 HA ASN 50 14.192 15.713 -15.832 345 1HB ASN 50 1HB ASN 50 15.247 15.138 -18.352 346 2HB ASN 50 2HB ASN 50 15.136 13.573 -17.552 347 2HD2 ASN 50 1HD2 ASN 50 13.208 12.620 -17.373 348 1HD2 ASN 50 2HD2 ASN 50 11.705 13.330 -17.843 349 H SER 51 H SER 51 17.404 14.994 -15.219 350 HA SER 51 HA SER 51 16.616 12.903 -13.331 351 1HB SER 51 1HB SER 51 18.416 12.573 -15.635 352 2HB SER 51 2HB SER 51 19.078 11.994 -14.106 353 HG SER 51 HG SER 51 17.795 10.445 -15.344 354 H ASN 52 H ASN 52 16.938 15.345 -12.425 355 HA ASN 52 HA ASN 52 18.338 16.894 -11.396 356 1HB ASN 52 1HB ASN 52 19.094 14.711 -9.592 357 2HB ASN 52 2HB ASN 52 18.314 16.241 -9.238 358 2HD2 ASN 52 1HD2 ASN 52 17.819 13.205 -8.761 359 1HD2 ASN 52 2HD2 ASN 52 16.124 13.053 -9.062 360 H GLY 53 H GLY 53 19.831 15.999 -13.544 361 1HA GLY 53 1HA GLY 53 22.002 15.974 -14.283 362 2HA GLY 53 2HA GLY 53 22.450 16.585 -12.698 363 H GLU 54 H GLU 54 21.454 13.559 -14.293 364 HA GLU 54 HA GLU 54 23.079 12.063 -12.372 365 1HB GLU 54 1HB GLU 54 20.831 11.365 -14.199 366 2HB GLU 54 2HB GLU 54 21.973 10.106 -13.771 367 1HG GLU 54 2HG GLU 54 20.285 9.883 -12.203 368 2HG GLU 54 1HG GLU 54 20.101 11.623 -12.008 369 HA PRO 55 HA PRO 55 26.435 10.888 -14.940 370 1HB PRO 55 2HB PRO 55 27.012 8.692 -14.568 371 2HB PRO 55 1HB PRO 55 25.416 8.090 -15.032 372 1HG PRO 55 1HG PRO 55 25.274 7.874 -12.721 373 2HG PRO 55 2HG PRO 55 26.317 9.280 -12.436 374 1HD PRO 55 2HD PRO 55 24.296 10.315 -12.059 375 2HD PRO 55 1HD PRO 55 23.409 9.176 -13.094 376 H CYS 56 H CYS 56 26.472 11.535 -16.997 377 HA CYS 56 HA CYS 56 24.401 11.165 -18.852 378 1HB CYS 56 1HB CYS 56 27.318 11.821 -19.305 379 2HB CYS 56 2HB CYS 56 26.072 11.928 -20.542 380 H VAL 57 H VAL 57 25.465 10.295 -21.206 381 HA VAL 57 HA VAL 57 26.662 7.691 -20.860 382 HB VAL 57 HB VAL 57 24.173 7.392 -20.427 383 1HG1 VAL 57 1HG1 VAL 57 24.034 8.769 -22.914 384 2HG1 VAL 57 2HG1 VAL 57 23.356 7.153 -23.123 385 3HG1 VAL 57 3HG1 VAL 57 22.718 8.223 -21.875 386 1HG2 VAL 57 1HG2 VAL 57 25.746 5.895 -22.482 387 2HG2 VAL 57 2HG2 VAL 57 25.304 5.418 -20.843 388 3HG2 VAL 57 3HG2 VAL 57 24.088 5.417 -22.121 389 H LEU 58 H LEU 58 27.491 10.003 -22.222 390 HA LEU 58 HA LEU 58 26.982 9.541 -25.047 391 1HB LEU 58 1HB LEU 58 28.566 11.500 -25.319 392 2HB LEU 58 2HB LEU 58 27.051 11.827 -24.502 393 HG LEU 58 HG LEU 58 29.262 12.828 -23.575 394 1HD1 LEU 58 1HD1 LEU 58 26.793 12.228 -22.473 395 2HD1 LEU 58 2HD1 LEU 58 27.956 11.643 -21.284 396 3HD1 LEU 58 3HD1 LEU 58 28.005 13.325 -21.813 397 1HD2 LEU 58 1HD2 LEU 58 30.407 10.596 -23.575 398 2HD2 LEU 58 2HD2 LEU 58 30.480 11.471 -22.046 399 3HD2 LEU 58 3HD2 LEU 58 29.352 10.129 -22.241 400 HA PRO 59 HA PRO 59 28.387 10.488 -26.865 401 1HB PRO 59 1HB PRO 59 28.901 9.035 -29.090 402 2HB PRO 59 2HB PRO 59 30.092 10.122 -28.366 403 1HG PRO 59 2HG PRO 59 31.292 8.126 -28.364 404 2HG PRO 59 1HG PRO 59 29.835 7.149 -28.102 405 1HD PRO 59 1HD PRO 59 30.601 7.167 -25.927 406 2HD PRO 59 2HD PRO 59 31.452 8.710 -26.139 407 H PHE 60 H PHE 60 26.285 10.443 -27.332 408 HA PHE 60 HA PHE 60 24.952 7.823 -27.529 409 1HB PHE 60 1HB PHE 60 22.875 9.200 -26.845 410 2HB PHE 60 2HB PHE 60 24.056 8.810 -25.601 411 HD1 PHE 60 HD1 PHE 60 23.254 11.495 -28.056 412 HD2 PHE 60 HD2 PHE 60 24.802 10.492 -24.221 413 HE1 PHE 60 HE1 PHE 60 23.460 13.888 -27.518 414 HE2 PHE 60 HE2 PHE 60 25.011 12.882 -23.675 415 HZ PHE 60 HZ PHE 60 24.338 14.584 -25.325 416 H THR 61 H THR 61 22.548 8.509 -28.549 417 HA THR 61 HA THR 61 23.176 9.895 -31.070 418 HB THR 61 HB THR 61 21.222 7.641 -31.100 419 HG1 THR 61 HG1 THR 61 22.874 6.505 -30.240 420 1HG2 THR 61 1HG2 THR 61 21.657 9.159 -33.053 421 2HG2 THR 61 2HG2 THR 61 23.296 8.511 -33.112 422 3HG2 THR 61 3HG2 THR 61 21.916 7.446 -33.384 423 H TYR 62 H TYR 62 21.813 11.466 -31.595 424 HA TYR 62 HA TYR 62 19.043 11.363 -30.692 425 1HB TYR 62 1HB TYR 62 20.017 12.612 -28.905 426 2HB TYR 62 2HB TYR 62 20.967 13.590 -30.018 427 HD1 TYR 62 HD1 TYR 62 17.390 12.754 -29.320 428 HD2 TYR 62 HD2 TYR 62 20.209 15.719 -30.491 429 HE1 TYR 62 HE1 TYR 62 15.595 14.434 -29.366 430 HE2 TYR 62 HE2 TYR 62 18.421 17.407 -30.539 431 HH TYR 62 HH TYR 62 15.596 17.086 -30.885 432 H ASN 63 H ASN 63 17.677 12.065 -32.211 433 HA ASN 63 HA ASN 63 16.865 13.017 -34.112 434 1HB ASN 63 1HB ASN 63 18.700 14.907 -33.111 435 2HB ASN 63 2HB ASN 63 19.023 14.782 -34.838 436 2HD2 ASN 63 1HD2 ASN 63 17.384 16.507 -32.677 437 1HD2 ASN 63 2HD2 ASN 63 16.025 17.000 -33.624 438 H GLY 64 H GLY 64 19.345 11.012 -33.955 439 1HA GLY 64 1HA GLY 64 19.725 9.496 -35.793 440 2HA GLY 64 2HA GLY 64 19.588 10.863 -36.887 441 H ARG 65 H ARG 65 21.301 12.365 -34.782 442 HA ARG 65 HA ARG 65 23.849 11.518 -35.949 443 1HB ARG 65 2HB ARG 65 23.235 13.880 -36.187 444 2HB ARG 65 1HB ARG 65 24.702 13.693 -35.236 445 1HG ARG 65 1HG ARG 65 22.459 13.691 -33.477 446 2HG ARG 65 2HG ARG 65 23.802 14.834 -33.572 447 1HD ARG 65 1HD ARG 65 21.891 15.202 -35.722 448 2HD ARG 65 2HD ARG 65 21.140 15.358 -34.135 449 HE ARG 65 HE ARG 65 23.245 16.917 -33.806 450 1HH1 ARG 65 1HH1 ARG 65 21.081 16.666 -36.527 451 2HH1 ARG 65 2HH1 ARG 65 21.294 18.315 -37.011 452 1HH2 ARG 65 1HH2 ARG 65 23.531 19.090 -34.438 453 2HH2 ARG 65 2HH2 ARG 65 22.685 19.692 -35.826 454 H THR 66 H THR 66 25.605 12.555 -34.067 455 HA THR 66 HA THR 66 25.022 11.092 -31.594 456 HB THR 66 HB THR 66 27.691 10.809 -32.964 457 HG1 THR 66 HG1 THR 66 26.694 8.571 -33.333 458 1HG2 THR 66 1HG2 THR 66 27.193 10.373 -30.421 459 2HG2 THR 66 2HG2 THR 66 26.503 8.869 -31.030 460 3HG2 THR 66 3HG2 THR 66 28.196 9.252 -31.341 461 H PHE 67 H PHE 67 26.168 11.788 -29.769 462 HA PHE 67 HA PHE 67 27.846 14.170 -30.085 463 1HB PHE 67 2HB PHE 67 26.623 15.471 -28.566 464 2HB PHE 67 1HB PHE 67 25.757 14.078 -27.926 465 HD1 PHE 67 HD1 PHE 67 24.285 12.810 -29.734 466 HD2 PHE 67 HD2 PHE 67 25.483 16.886 -29.971 467 HE1 PHE 67 HE1 PHE 67 22.410 13.267 -31.258 468 HE2 PHE 67 HE2 PHE 67 23.608 17.352 -31.495 469 HZ PHE 67 HZ PHE 67 22.070 15.540 -32.141 470 H TYR 68 H TYR 68 29.728 13.678 -29.192 471 HA TYR 68 HA TYR 68 30.007 11.609 -27.232 472 1HB TYR 68 1HB TYR 68 31.910 13.507 -28.575 473 2HB TYR 68 2HB TYR 68 32.442 12.497 -27.237 474 HD1 TYR 68 HD1 TYR 68 30.347 11.966 -30.298 475 HD2 TYR 68 HD2 TYR 68 33.625 10.657 -27.928 476 HE1 TYR 68 HE1 TYR 68 30.721 10.100 -31.856 477 HE2 TYR 68 HE2 TYR 68 34.008 8.789 -29.474 478 HH TYR 68 HH TYR 68 31.966 8.330 -32.346 479 H SER 69 H SER 69 28.852 14.613 -26.865 480 HA SER 69 HA SER 69 29.464 14.655 -24.051 481 1HB SER 69 1HB SER 69 31.401 15.854 -25.110 482 2HB SER 69 2HB SER 69 30.258 17.052 -25.715 483 HG SER 69 HG SER 69 31.418 16.995 -23.358 484 H CYS 70 H CYS 70 28.690 17.284 -23.521 485 HA CYS 70 HA CYS 70 25.875 17.053 -23.618 486 1HB CYS 70 2HB CYS 70 25.824 18.968 -22.308 487 2HB CYS 70 1HB CYS 70 27.227 19.676 -23.100 488 H THR 71 H THR 71 24.391 18.684 -24.560 489 HA THR 71 HA THR 71 25.381 20.181 -26.835 490 HB THR 71 HB THR 71 25.062 17.880 -27.735 491 HG1 THR 71 HG1 THR 71 24.826 19.607 -29.165 492 1HG2 THR 71 1HG2 THR 71 22.246 18.392 -26.819 493 2HG2 THR 71 2HG2 THR 71 22.603 17.266 -28.128 494 3HG2 THR 71 3HG2 THR 71 23.265 16.984 -26.518 495 H THR 72 H THR 72 23.328 21.019 -28.121 496 HA THR 72 HA THR 72 21.196 21.724 -26.231 497 HB THR 72 HB THR 72 21.268 24.066 -26.893 498 HG1 THR 72 HG1 THR 72 22.809 24.825 -28.310 499 1HG2 THR 72 1HG2 THR 72 22.677 23.221 -24.983 500 2HG2 THR 72 2HG2 THR 72 24.050 23.225 -26.089 501 3HG2 THR 72 3HG2 THR 72 23.226 24.735 -25.703 502 H GLU 73 H GLU 73 21.739 20.137 -28.866 503 HA GLU 73 HA GLU 73 20.137 21.360 -30.861 504 1HB GLU 73 1HB GLU 73 21.396 18.713 -30.437 505 2HB GLU 73 2HB GLU 73 20.006 18.742 -31.515 506 1HG GLU 73 1HG GLU 73 22.435 20.493 -31.810 507 2HG GLU 73 2HG GLU 73 22.173 18.979 -32.675 508 H GLY 74 H GLY 74 19.454 19.275 -28.144 509 1HA GLY 74 1HA GLY 74 16.605 19.263 -28.929 510 2HA GLY 74 2HA GLY 74 17.365 17.996 -27.981 511 H ARG 75 H ARG 75 17.038 21.532 -27.850 512 HA ARG 75 HA ARG 75 15.811 21.360 -25.234 513 1HB ARG 75 1HB ARG 75 17.470 22.853 -24.167 514 2HB ARG 75 2HB ARG 75 18.154 21.297 -24.614 515 1HG ARG 75 1HG ARG 75 19.347 22.214 -26.411 516 2HG ARG 75 2HG ARG 75 18.406 23.706 -26.383 517 1HD ARG 75 1HD ARG 75 19.502 23.529 -23.839 518 2HD ARG 75 2HD ARG 75 20.794 22.987 -24.909 519 HE ARG 75 HE ARG 75 19.558 25.380 -25.852 520 1HH1 ARG 75 1HH1 ARG 75 21.879 24.150 -23.565 521 2HH1 ARG 75 2HH1 ARG 75 22.806 25.611 -23.525 522 1HH2 ARG 75 1HH2 ARG 75 20.786 27.302 -25.818 523 2HH2 ARG 75 2HH2 ARG 75 22.190 27.400 -24.806 524 H GLN 76 H GLN 76 14.967 23.408 -24.495 525 HA GLN 76 HA GLN 76 14.885 25.536 -26.505 526 1HB GLN 76 1HB GLN 76 12.387 24.541 -25.143 527 2HB GLN 76 2HB GLN 76 12.509 25.682 -26.476 528 1HG GLN 76 1HG GLN 76 13.597 23.675 -27.726 529 2HG GLN 76 2HG GLN 76 12.787 22.717 -26.489 530 2HE2 GLN 76 1HE2 GLN 76 10.426 23.567 -26.130 531 1HE2 GLN 76 2HE2 GLN 76 9.501 23.723 -27.581 532 H ASP 77 H ASP 77 16.198 25.233 -23.896 533 HA ASP 77 HA ASP 77 14.863 27.450 -22.487 534 1HB ASP 77 1HB ASP 77 16.300 26.318 -20.500 535 2HB ASP 77 2HB ASP 77 14.622 25.907 -20.840 536 H GLY 78 H GLY 78 17.989 25.828 -22.936 537 1HA GLY 78 1HA GLY 78 19.705 27.417 -23.919 538 2HA GLY 78 2HA GLY 78 19.292 28.450 -22.562 539 H HIS 79 H HIS 79 19.207 25.175 -21.722 540 HA HIS 79 HA HIS 79 21.892 25.391 -20.530 541 1HB HIS 79 2HB HIS 79 21.136 24.366 -18.598 542 2HB HIS 79 1HB HIS 79 19.819 23.543 -19.424 543 HD1 HIS 79 HD1 HIS 79 20.254 27.243 -19.770 544 HD2 HIS 79 HD2 HIS 79 17.895 24.544 -17.670 545 HE1 HIS 79 HE1 HIS 79 18.393 28.609 -18.777 546 HE2 HIS 79 HE2 HIS 79 17.041 26.972 -17.420 547 H LEU 80 H LEU 80 23.360 24.027 -21.311 548 HA LEU 80 HA LEU 80 22.978 22.139 -23.264 549 1HB LEU 80 1HB LEU 80 25.074 22.549 -21.186 550 2HB LEU 80 2HB LEU 80 25.092 21.046 -22.081 551 HG LEU 80 HG LEU 80 25.456 22.160 -24.149 552 1HD1 LEU 80 1HD1 LEU 80 23.914 24.143 -23.245 553 2HD1 LEU 80 2HD1 LEU 80 25.494 24.885 -23.005 554 3HD1 LEU 80 3HD1 LEU 80 25.013 24.330 -24.609 555 1HD2 LEU 80 1HD2 LEU 80 27.232 22.313 -22.021 556 2HD2 LEU 80 2HD2 LEU 80 27.613 22.508 -23.732 557 3HD2 LEU 80 3HD2 LEU 80 27.264 23.924 -22.741 558 H TRP 81 H TRP 81 22.722 19.878 -23.293 559 HA TRP 81 HA TRP 81 22.063 18.595 -20.750 560 1HB TRP 81 1HB TRP 81 19.966 17.691 -21.637 561 2HB TRP 81 2HB TRP 81 19.938 19.452 -21.628 562 HD1 TRP 81 HD1 TRP 81 19.845 20.697 -23.978 563 HE1 TRP 81 HE1 TRP 81 19.330 19.867 -26.361 564 HE3 TRP 81 HE3 TRP 81 20.262 15.658 -23.199 565 HZ2 TRP 81 HZ2 TRP 81 19.128 17.403 -27.730 566 HZ3 TRP 81 HZ3 TRP 81 19.894 14.135 -25.096 567 HH2 TRP 81 HH2 TRP 81 19.338 14.992 -27.313 568 H CYS 82 H CYS 82 22.028 16.299 -20.820 569 HA CYS 82 HA CYS 82 23.279 15.092 -23.189 570 1HB CYS 82 2HB CYS 82 24.918 15.571 -21.282 571 2HB CYS 82 1HB CYS 82 24.881 13.925 -21.903 572 H SER 83 H SER 83 23.474 12.493 -22.021 573 HA SER 83 HA SER 83 20.666 11.850 -21.446 574 1HB SER 83 1HB SER 83 21.079 11.429 -23.838 575 2HB SER 83 2HB SER 83 22.420 10.365 -23.418 576 HG SER 83 HG SER 83 20.098 9.727 -22.127 577 H THR 84 H THR 84 20.458 10.663 -19.680 578 HA THR 84 HA THR 84 22.761 9.591 -18.343 579 HB THR 84 HB THR 84 21.459 9.398 -16.481 580 HG1 THR 84 HG1 THR 84 19.886 8.002 -16.698 581 1HG2 THR 84 1HG2 THR 84 21.165 11.699 -17.430 582 2HG2 THR 84 2HG2 THR 84 19.621 11.168 -18.095 583 3HG2 THR 84 3HG2 THR 84 19.870 11.187 -16.349 584 H THR 85 H THR 85 21.040 8.436 -20.861 585 HA THR 85 HA THR 85 21.910 5.725 -20.371 586 HB THR 85 HB THR 85 19.077 6.509 -20.169 587 HG1 THR 85 HG1 THR 85 19.223 4.247 -19.178 588 1HG2 THR 85 1HG2 THR 85 19.084 5.440 -22.415 589 2HG2 THR 85 2HG2 THR 85 19.771 3.988 -21.685 590 3HG2 THR 85 3HG2 THR 85 18.161 4.535 -21.215 591 H SER 86 H SER 86 21.678 4.357 -22.313 592 HA SER 86 HA SER 86 22.620 5.618 -24.605 593 1HB SER 86 1HB SER 86 23.137 3.408 -24.737 594 2HB SER 86 2HB SER 86 21.655 2.907 -23.922 595 HG SER 86 HG SER 86 22.117 2.673 -26.430 596 H ASN 87 H ASN 87 19.475 3.952 -24.412 597 HA ASN 87 HA ASN 87 18.455 5.319 -26.689 598 1HB ASN 87 1HB ASN 87 17.711 3.096 -25.117 599 2HB ASN 87 2HB ASN 87 16.357 4.221 -25.057 600 2HD2 ASN 87 1HD2 ASN 87 16.529 1.629 -26.338 601 1HD2 ASN 87 2HD2 ASN 87 16.191 1.889 -28.012 602 H TYR 88 H TYR 88 18.548 7.535 -26.310 603 HA TYR 88 HA TYR 88 17.238 8.680 -24.002 604 1HB TYR 88 1HB TYR 88 19.114 9.916 -24.687 605 2HB TYR 88 2HB TYR 88 18.666 9.823 -26.388 606 HD1 TYR 88 HD1 TYR 88 17.143 11.074 -23.208 607 HD2 TYR 88 HD2 TYR 88 17.937 11.795 -27.323 608 HE1 TYR 88 HE1 TYR 88 16.039 13.263 -23.030 609 HE2 TYR 88 HE2 TYR 88 16.837 13.988 -27.158 610 HH TYR 88 HH TYR 88 16.129 15.475 -24.251 611 H GLU 89 H GLU 89 16.509 8.036 -27.340 612 HA GLU 89 HA GLU 89 14.135 9.682 -27.351 613 1HB GLU 89 1HB GLU 89 15.414 7.816 -29.328 614 2HB GLU 89 2HB GLU 89 13.787 8.429 -29.593 615 1HG GLU 89 1HG GLU 89 15.925 10.387 -28.966 616 2HG GLU 89 2HG GLU 89 15.923 9.639 -30.563 617 H GLN 90 H GLN 90 14.712 7.065 -25.674 618 HA GLN 90 HA GLN 90 12.020 5.958 -26.094 619 1HB GLN 90 1HB GLN 90 13.382 4.250 -26.935 620 2HB GLN 90 2HB GLN 90 14.623 4.513 -25.717 621 1HG GLN 90 1HG GLN 90 13.616 2.511 -25.099 622 2HG GLN 90 2HG GLN 90 12.895 3.709 -24.025 623 2HE2 GLN 90 1HE2 GLN 90 12.380 1.759 -26.890 624 1HE2 GLN 90 2HE2 GLN 90 10.654 1.797 -26.839 625 H ASP 91 H ASP 91 14.722 6.218 -23.813 626 HA ASP 91 HA ASP 91 13.049 5.685 -21.538 627 1HB ASP 91 1HB ASP 91 15.932 6.424 -21.918 628 2HB ASP 91 2HB ASP 91 15.205 6.503 -20.316 629 H GLN 92 H GLN 92 14.196 8.495 -23.235 630 HA GLN 92 HA GLN 92 13.835 10.726 -22.964 631 1HB GLN 92 1HB GLN 92 11.385 9.417 -21.935 632 2HB GLN 92 2HB GLN 92 11.599 11.108 -21.506 633 1HG GLN 92 1HG GLN 92 11.925 10.255 -24.343 634 2HG GLN 92 2HG GLN 92 10.310 10.454 -23.665 635 2HE2 GLN 92 1HE2 GLN 92 12.898 11.988 -25.130 636 1HE2 GLN 92 2HE2 GLN 92 12.422 13.625 -24.855 637 H LYS 93 H LYS 93 15.746 9.914 -21.312 638 HA LYS 93 HA LYS 93 15.208 11.445 -18.870 639 1HB LYS 93 1HB LYS 93 16.342 9.907 -17.470 640 2HB LYS 93 2HB LYS 93 15.226 8.957 -18.432 641 1HG LYS 93 1HG LYS 93 18.205 9.176 -18.816 642 2HG LYS 93 2HG LYS 93 17.302 7.790 -18.221 643 1HD LYS 93 2HD LYS 93 16.085 8.308 -20.623 644 2HD LYS 93 1HD LYS 93 17.307 7.072 -20.330 645 1HE LYS 93 1HE LYS 93 17.547 9.688 -21.698 646 2HE LYS 93 2HE LYS 93 18.919 9.160 -20.725 647 1HZ LYS 93 1HZ LYS 93 17.671 7.389 -22.734 648 2HZ LYS 93 2HZ LYS 93 18.889 8.487 -23.153 649 3HZ LYS 93 3HZ LYS 93 19.200 7.266 -22.028 650 H TYR 94 H TYR 94 16.192 13.254 -19.689 651 HA TYR 94 HA TYR 94 19.052 13.006 -20.331 652 1HB TYR 94 1HB TYR 94 18.880 14.928 -21.692 653 2HB TYR 94 2HB TYR 94 17.447 13.977 -22.058 654 HD1 TYR 94 HD1 TYR 94 18.567 16.776 -19.849 655 HD2 TYR 94 HD2 TYR 94 15.375 15.013 -22.043 656 HE1 TYR 94 HE1 TYR 94 17.149 18.725 -19.340 657 HE2 TYR 94 HE2 TYR 94 13.951 16.953 -21.540 658 HH TYR 94 HH TYR 94 13.849 18.976 -20.623 659 H SER 95 H SER 95 20.426 14.834 -19.700 660 HA SER 95 HA SER 95 19.565 16.065 -17.165 661 1HB SER 95 1HB SER 95 21.079 14.529 -16.337 662 2HB SER 95 2HB SER 95 22.043 14.523 -17.814 663 HG SER 95 HG SER 95 22.980 15.597 -15.919 664 H PHE 96 H PHE 96 21.546 17.770 -16.624 665 HA PHE 96 HA PHE 96 21.611 19.487 -19.007 666 1HB PHE 96 1HB PHE 96 21.418 20.077 -16.080 667 2HB PHE 96 2HB PHE 96 22.130 21.277 -17.155 668 HD1 PHE 96 HD1 PHE 96 20.430 20.786 -19.574 669 HD2 PHE 96 HD2 PHE 96 19.428 21.152 -15.454 670 HE1 PHE 96 HE1 PHE 96 18.183 21.556 -20.195 671 HE2 PHE 96 HE2 PHE 96 17.175 21.924 -16.071 672 HZ PHE 96 HZ PHE 96 16.553 22.124 -18.446 673 H CYS 97 H CYS 97 23.510 21.228 -18.632 674 HA CYS 97 HA CYS 97 25.951 20.016 -17.668 675 1HB CYS 97 1HB CYS 97 25.220 20.036 -20.519 676 2HB CYS 97 2HB CYS 97 26.824 20.670 -20.170 677 H THR 98 H THR 98 26.532 21.723 -16.445 678 HA THR 98 HA THR 98 26.378 24.419 -17.563 679 HB THR 98 HB THR 98 25.548 24.414 -15.376 680 HG1 THR 98 HG1 THR 98 27.143 26.063 -15.721 681 1HG2 THR 98 1HG2 THR 98 27.528 22.320 -14.972 682 2HG2 THR 98 2HG2 THR 98 27.467 23.464 -13.631 683 3HG2 THR 98 3HG2 THR 98 26.006 22.611 -14.128 684 H ASP 99 H ASP 99 28.326 22.488 -18.556 685 HA ASP 99 HA ASP 99 30.868 22.558 -17.693 686 1HB ASP 99 1HB ASP 99 30.275 21.508 -19.799 687 2HB ASP 99 2HB ASP 99 29.943 23.078 -20.526 688 H HIS 100 H HIS 100 29.062 25.289 -18.900 689 HA HIS 100 HA HIS 100 29.539 27.510 -19.078 690 1HB HIS 100 1HB HIS 100 30.236 26.725 -16.559 691 2HB HIS 100 2HB HIS 100 31.743 27.444 -17.119 692 HD1 HIS 100 HD1 HIS 100 28.508 28.873 -18.300 693 HD2 HIS 100 HD2 HIS 100 31.383 29.644 -15.402 694 HE1 HIS 100 HE1 HIS 100 27.995 31.181 -17.443 695 HE2 HIS 100 HE2 HIS 100 29.682 31.581 -15.614 696 H THR 101 H THR 101 32.036 28.852 -18.601 697 HA THR 101 HA THR 101 33.304 28.299 -21.136 698 HB THR 101 HB THR 101 32.899 30.628 -20.357 699 HG1 THR 101 HG1 THR 101 35.581 29.811 -20.859 700 1HG2 THR 101 1HG2 THR 101 33.619 29.979 -17.943 701 2HG2 THR 101 2HG2 THR 101 35.246 30.335 -18.522 702 3HG2 THR 101 3HG2 THR 101 34.005 31.587 -18.556 No H/Q in entry = 702 Start of MODEL 23 1 H1 TYR 1 H1 TYR 1 47.828 1.090 -43.966 2 H2 TYR 1 H2 TYR 1 49.097 0.097 -44.480 3 H3 TYR 1 H3 TYR 1 48.737 0.223 -42.832 4 HA TYR 1 HA TYR 1 50.414 1.681 -42.809 5 1HB TYR 1 1HB TYR 1 51.331 1.333 -44.912 6 2HB TYR 1 2HB TYR 1 49.843 1.768 -45.746 7 HD1 TYR 1 HD1 TYR 1 52.273 3.428 -43.428 8 HD2 TYR 1 HD2 TYR 1 49.945 3.706 -46.979 9 HE1 TYR 1 HE1 TYR 1 53.164 5.686 -43.830 10 HE2 TYR 1 HE2 TYR 1 50.830 5.963 -47.390 11 HH TYR 1 HH TYR 1 51.834 7.864 -45.802 12 H GLY 2 H GLY 2 49.851 3.298 -41.505 13 1HA GLY 2 1HA GLY 2 49.273 5.578 -41.176 14 2HA GLY 2 2HA GLY 2 48.264 5.502 -42.612 15 H HIS 3 H HIS 3 48.311 3.315 -39.822 16 HA HIS 3 HA HIS 3 45.490 4.006 -39.361 17 1HB HIS 3 1HB HIS 3 47.016 1.450 -39.211 18 2HB HIS 3 2HB HIS 3 45.671 1.676 -38.101 19 HD1 HIS 3 HD1 HIS 3 46.392 1.629 -41.817 20 HD2 HIS 3 HD2 HIS 3 43.200 1.222 -39.187 21 HE1 HIS 3 HE1 HIS 3 44.440 0.912 -43.232 22 HE2 HIS 3 HE2 HIS 3 42.537 0.606 -41.609 23 H CYS 4 H CYS 4 44.745 4.278 -37.242 24 HA CYS 4 HA CYS 4 46.869 4.849 -35.281 25 1HB CYS 4 1HB CYS 4 44.760 6.168 -34.255 26 2HB CYS 4 2HB CYS 4 45.866 6.885 -35.417 27 H VAL 5 H VAL 5 46.874 3.817 -33.359 28 HA VAL 5 HA VAL 5 44.479 2.297 -32.596 29 HB VAL 5 HB VAL 5 45.673 0.332 -32.102 30 1HG1 VAL 5 1HG1 VAL 5 45.608 1.343 -34.673 31 2HG1 VAL 5 2HG1 VAL 5 47.258 0.746 -34.496 32 3HG1 VAL 5 3HG1 VAL 5 45.894 -0.336 -34.216 33 1HG2 VAL 5 1HG2 VAL 5 48.006 2.131 -32.070 34 2HG2 VAL 5 2HG2 VAL 5 47.644 0.721 -31.075 35 3HG2 VAL 5 3HG2 VAL 5 48.299 0.510 -32.699 36 H THR 6 H THR 6 44.009 2.268 -30.455 37 HA THR 6 HA THR 6 45.227 4.200 -28.774 38 HB THR 6 HB THR 6 43.786 3.159 -26.973 39 HG1 THR 6 HG1 THR 6 42.222 1.632 -27.783 40 1HG2 THR 6 1HG2 THR 6 43.117 5.002 -28.648 41 2HG2 THR 6 2HG2 THR 6 42.167 3.739 -29.432 42 3HG2 THR 6 3HG2 THR 6 41.835 4.181 -27.757 43 H ASP 7 H ASP 7 47.403 2.972 -29.343 44 HA ASP 7 HA ASP 7 49.269 2.122 -28.327 45 1HB ASP 7 1HB ASP 7 47.466 2.433 -26.145 46 2HB ASP 7 2HB ASP 7 48.260 0.869 -25.975 47 H SER 8 H SER 8 46.435 0.086 -27.664 48 HA SER 8 HA SER 8 47.067 -1.945 -29.449 49 1HB SER 8 2HB SER 8 49.053 -2.223 -27.926 50 2HB SER 8 1HB SER 8 48.055 -3.667 -28.092 51 HG SER 8 HG SER 8 47.580 -1.852 -25.997 52 H GLY 9 H GLY 9 44.716 -1.139 -29.271 53 1HA GLY 9 1HA GLY 9 43.236 -3.226 -27.892 54 2HA GLY 9 2HA GLY 9 42.895 -1.588 -27.361 55 H VAL 10 H VAL 10 43.151 -0.357 -29.938 56 HA VAL 10 HA VAL 10 40.946 -1.602 -31.434 57 HB VAL 10 HB VAL 10 41.119 1.345 -30.787 58 1HG1 VAL 10 1HG1 VAL 10 39.113 -0.271 -32.349 59 2HG1 VAL 10 2HG1 VAL 10 38.833 1.381 -31.798 60 3HG1 VAL 10 3HG1 VAL 10 40.133 1.040 -32.940 61 1HG2 VAL 10 1HG2 VAL 10 40.449 -0.313 -28.930 62 2HG2 VAL 10 2HG2 VAL 10 39.402 1.073 -29.237 63 3HG2 VAL 10 3HG2 VAL 10 38.964 -0.519 -29.857 64 H VAL 11 H VAL 11 40.698 -0.694 -33.640 65 HA VAL 11 HA VAL 11 43.292 0.186 -34.730 66 HB VAL 11 HB VAL 11 41.292 -1.667 -36.034 67 1HG1 VAL 11 1HG1 VAL 11 42.837 0.062 -37.370 68 2HG1 VAL 11 2HG1 VAL 11 43.991 -1.258 -37.169 69 3HG1 VAL 11 3HG1 VAL 11 42.449 -1.547 -37.977 70 1HG2 VAL 11 1HG2 VAL 11 43.873 -2.098 -34.602 71 2HG2 VAL 11 2HG2 VAL 11 42.379 -3.033 -34.535 72 3HG2 VAL 11 3HG2 VAL 11 43.439 -3.162 -35.939 73 H TYR 12 H TYR 12 43.102 2.232 -35.306 74 HA TYR 12 HA TYR 12 40.629 3.122 -36.637 75 1HB TYR 12 1HB TYR 12 42.641 4.684 -35.010 76 2HB TYR 12 2HB TYR 12 41.328 5.423 -35.913 77 HD1 TYR 12 HD1 TYR 12 38.931 4.535 -35.323 78 HD2 TYR 12 HD2 TYR 12 42.334 4.145 -32.805 79 HE1 TYR 12 HE1 TYR 12 37.448 4.237 -33.381 80 HE2 TYR 12 HE2 TYR 12 40.863 3.845 -30.852 81 HH TYR 12 HH TYR 12 38.073 2.921 -30.776 82 H SER 13 H SER 13 41.425 5.425 -37.770 83 HA SER 13 HA SER 13 43.784 4.879 -39.396 84 1HB SER 13 1HB SER 13 40.976 5.160 -40.433 85 2HB SER 13 2HB SER 13 42.355 5.618 -41.433 86 HG SER 13 HG SER 13 43.136 3.500 -41.222 87 H VAL 14 H VAL 14 44.893 6.661 -39.948 88 HA VAL 14 HA VAL 14 44.962 8.948 -38.643 89 HB VAL 14 HB VAL 14 46.599 8.652 -40.301 90 1HG1 VAL 14 1HG1 VAL 14 44.295 8.125 -42.030 91 2HG1 VAL 14 2HG1 VAL 14 45.594 9.036 -42.801 92 3HG1 VAL 14 3HG1 VAL 14 45.930 7.463 -42.077 93 1HG2 VAL 14 1HG2 VAL 14 45.154 11.065 -40.164 94 2HG2 VAL 14 2HG2 VAL 14 46.834 10.833 -40.647 95 3HG2 VAL 14 3HG2 VAL 14 45.558 10.815 -41.863 96 H GLY 15 H GLY 15 42.910 9.623 -37.927 97 1HA GLY 15 1HA GLY 15 41.678 11.746 -38.436 98 2HA GLY 15 2HA GLY 15 41.296 11.005 -39.977 99 H MET 16 H MET 16 41.235 8.663 -37.569 100 HA MET 16 HA MET 16 38.311 8.771 -37.535 101 1HB MET 16 1HB MET 16 40.280 6.584 -36.898 102 2HB MET 16 2HB MET 16 38.564 6.438 -36.553 103 1HG MET 16 1HG MET 16 39.142 7.267 -39.289 104 2HG MET 16 2HG MET 16 39.795 5.685 -38.870 105 1HE MET 16 1HE MET 16 38.606 4.056 -37.585 106 2HE MET 16 2HE MET 16 36.862 3.831 -37.462 107 3HE MET 16 3HE MET 16 37.714 3.335 -38.924 108 H GLN 17 H GLN 17 37.420 9.799 -35.879 109 HA GLN 17 HA GLN 17 38.834 10.100 -33.372 110 1HB GLN 17 2HB GLN 17 37.016 11.569 -32.733 111 2HB GLN 17 1HB GLN 17 36.054 11.034 -34.103 112 1HG GLN 17 1HG GLN 17 38.489 12.772 -34.085 113 2HG GLN 17 2HG GLN 17 37.973 11.932 -35.545 114 2HE2 GLN 17 1HE2 GLN 17 35.833 13.207 -33.085 115 1HE2 GLN 17 2HE2 GLN 17 35.119 14.435 -34.069 116 H TRP 18 H TRP 18 37.952 9.514 -31.319 117 HA TRP 18 HA TRP 18 35.709 7.732 -31.166 118 1HB TRP 18 1HB TRP 18 36.870 5.758 -30.425 119 2HB TRP 18 2HB TRP 18 37.531 6.233 -31.985 120 HD1 TRP 18 HD1 TRP 18 38.442 6.104 -28.266 121 HE1 TRP 18 HE1 TRP 18 40.997 6.265 -28.045 122 HE3 TRP 18 HE3 TRP 18 39.622 7.084 -33.145 123 HZ2 TRP 18 HZ2 TRP 18 43.224 6.750 -29.718 124 HZ3 TRP 18 HZ3 TRP 18 41.984 7.380 -33.749 125 HH2 TRP 18 HH2 TRP 18 43.744 7.214 -32.071 126 H LEU 19 H LEU 19 36.028 6.571 -28.765 127 HA LEU 19 HA LEU 19 36.684 8.793 -26.946 128 1HB LEU 19 1HB LEU 19 34.172 8.156 -27.437 129 2HB LEU 19 2HB LEU 19 34.495 6.878 -26.282 130 HG LEU 19 HG LEU 19 35.297 8.747 -24.711 131 1HD1 LEU 19 1HD1 LEU 19 35.213 10.383 -26.745 132 2HD1 LEU 19 2HD1 LEU 19 33.509 10.519 -26.311 133 3HD1 LEU 19 3HD1 LEU 19 34.756 10.939 -25.135 134 1HD2 LEU 19 1HD2 LEU 19 32.938 7.465 -24.970 135 2HD2 LEU 19 2HD2 LEU 19 33.285 8.641 -23.702 136 3HD2 LEU 19 3HD2 LEU 19 32.412 9.139 -25.151 137 H LYS 20 H LYS 20 37.269 8.195 -24.790 138 HA LYS 20 HA LYS 20 37.959 5.392 -24.345 139 1HB LYS 20 1HB LYS 20 39.873 7.066 -25.329 140 2HB LYS 20 2HB LYS 20 40.111 7.263 -23.598 141 1HG LYS 20 1HG LYS 20 40.083 4.657 -23.579 142 2HG LYS 20 2HG LYS 20 40.456 4.835 -25.294 143 1HD LYS 20 1HD LYS 20 42.527 4.641 -24.119 144 2HD LYS 20 2HD LYS 20 42.363 6.320 -24.639 145 1HE LYS 20 1HE LYS 20 42.979 6.686 -22.482 146 2HE LYS 20 2HE LYS 20 41.239 6.543 -22.242 147 1HZ LYS 20 1HZ LYS 20 41.614 4.156 -21.747 148 2HZ LYS 20 2HZ LYS 20 43.282 4.437 -21.802 149 3HZ LYS 20 3HZ LYS 20 42.333 5.202 -20.628 150 H THR 21 H THR 21 38.642 4.983 -22.088 151 HA THR 21 HA THR 21 37.888 7.038 -20.161 152 HB THR 21 HB THR 21 36.707 4.400 -19.560 153 HG1 THR 21 HG1 THR 21 34.804 5.205 -20.899 154 1HG2 THR 21 1HG2 THR 21 36.479 6.392 -18.107 155 2HG2 THR 21 2HG2 THR 21 35.604 7.207 -19.402 156 3HG2 THR 21 3HG2 THR 21 34.923 5.765 -18.650 157 H GLN 22 H GLN 22 38.554 6.560 -17.987 158 HA GLN 22 HA GLN 22 40.736 4.585 -17.890 159 1HB GLN 22 1HB GLN 22 40.391 7.263 -16.565 160 2HB GLN 22 2HB GLN 22 41.511 6.070 -15.921 161 1HG GLN 22 1HG GLN 22 41.833 6.479 -18.778 162 2HG GLN 22 2HG GLN 22 42.065 7.955 -17.843 163 2HE2 GLN 22 1HE2 GLN 22 43.930 6.157 -19.337 164 1HE2 GLN 22 2HE2 GLN 22 45.179 5.781 -18.205 165 H GLY 23 H GLY 23 37.858 4.156 -17.338 166 1HA GLY 23 1HA GLY 23 36.783 2.700 -15.887 167 2HA GLY 23 2HA GLY 23 38.201 2.734 -14.850 168 H ASN 24 H ASN 24 37.406 5.872 -15.503 169 HA ASN 24 HA ASN 24 35.243 6.228 -13.661 170 1HB ASN 24 1HB ASN 24 37.770 5.971 -12.506 171 2HB ASN 24 2HB ASN 24 37.481 7.709 -12.550 172 2HD2 ASN 24 1HD2 ASN 24 36.585 4.695 -11.160 173 1HD2 ASN 24 2HD2 ASN 24 35.479 5.317 -9.986 174 H LYS 25 H LYS 25 37.959 7.658 -15.399 175 HA LYS 25 HA LYS 25 36.416 10.143 -15.703 176 1HB LYS 25 1HB LYS 25 39.278 9.917 -16.531 177 2HB LYS 25 2HB LYS 25 38.397 11.314 -15.927 178 1HG LYS 25 1HG LYS 25 39.095 8.947 -14.212 179 2HG LYS 25 2HG LYS 25 40.131 10.365 -14.382 180 1HD LYS 25 1HD LYS 25 37.370 11.059 -13.787 181 2HD LYS 25 2HD LYS 25 38.095 10.038 -12.544 182 1HE LYS 25 1HE LYS 25 39.415 11.687 -11.815 183 2HE LYS 25 2HE LYS 25 39.876 12.152 -13.453 184 1HZ LYS 25 1HZ LYS 25 37.323 13.002 -13.299 185 2HZ LYS 25 2HZ LYS 25 37.870 13.278 -11.721 186 3HZ LYS 25 3HZ LYS 25 38.681 13.974 -13.032 187 H GLN 26 H GLN 26 35.989 11.000 -17.714 188 HA GLN 26 HA GLN 26 36.073 9.101 -19.915 189 1HB GLN 26 1HB GLN 26 34.270 11.098 -19.088 190 2HB GLN 26 2HB GLN 26 34.941 11.662 -20.612 191 1HG GLN 26 1HG GLN 26 33.532 10.342 -21.680 192 2HG GLN 26 2HG GLN 26 34.343 8.944 -20.974 193 2HE2 GLN 26 1HE2 GLN 26 31.865 11.373 -20.275 194 1HE2 GLN 26 2HE2 GLN 26 30.850 10.326 -19.350 195 H MET 27 H MET 27 36.632 9.958 -22.126 196 HA MET 27 HA MET 27 38.272 12.225 -22.450 197 1HB MET 27 1HB MET 27 39.661 10.429 -21.061 198 2HB MET 27 2HB MET 27 39.969 9.790 -22.670 199 1HG MET 27 1HG MET 27 40.444 12.474 -22.979 200 2HG MET 27 2HG MET 27 41.039 12.150 -21.352 201 1HE MET 27 1HE MET 27 43.095 12.726 -21.567 202 2HE MET 27 2HE MET 27 44.039 11.247 -21.386 203 3HE MET 27 3HE MET 27 44.295 12.291 -22.785 204 H LEU 28 H LEU 28 38.129 12.744 -24.518 205 HA LEU 28 HA LEU 28 37.366 10.696 -26.458 206 1HB LEU 28 1HB LEU 28 36.179 12.952 -26.191 207 2HB LEU 28 2HB LEU 28 37.590 13.655 -26.962 208 HG LEU 28 HG LEU 28 36.638 11.456 -28.541 209 1HD1 LEU 28 1HD1 LEU 28 34.516 12.207 -27.260 210 2HD1 LEU 28 2HD1 LEU 28 34.586 13.615 -28.320 211 3HD1 LEU 28 3HD1 LEU 28 34.443 11.998 -29.010 212 1HD2 LEU 28 1HD2 LEU 28 38.042 13.376 -29.263 213 2HD2 LEU 28 2HD2 LEU 28 36.630 13.104 -30.284 214 3HD2 LEU 28 3HD2 LEU 28 36.627 14.416 -29.105 215 H CYS 29 H CYS 29 38.875 9.763 -27.669 216 HA CYS 29 HA CYS 29 41.445 11.138 -28.033 217 1HB CYS 29 1HB CYS 29 40.619 8.287 -27.860 218 2HB CYS 29 2HB CYS 29 42.011 8.672 -28.867 219 H THR 30 H THR 30 42.317 11.508 -30.021 220 HA THR 30 HA THR 30 40.882 10.567 -32.394 221 HB THR 30 HB THR 30 41.581 13.471 -31.913 222 HG1 THR 30 HG1 THR 30 39.222 13.621 -32.313 223 1HG2 THR 30 1HG2 THR 30 40.793 11.955 -34.375 224 2HG2 THR 30 2HG2 THR 30 40.299 13.638 -34.184 225 3HG2 THR 30 3HG2 THR 30 42.011 13.216 -34.179 226 H CYS 31 H CYS 31 42.169 10.235 -34.167 227 HA CYS 31 HA CYS 31 45.047 10.615 -33.719 228 1HB CYS 31 1HB CYS 31 45.344 8.774 -35.366 229 2HB CYS 31 2HB CYS 31 44.462 8.285 -33.922 230 H LEU 32 H LEU 32 45.621 12.466 -34.636 231 HA LEU 32 HA LEU 32 44.404 13.433 -37.053 232 1HB LEU 32 1HB LEU 32 46.425 15.127 -36.754 233 2HB LEU 32 2HB LEU 32 44.961 15.238 -35.798 234 HG LEU 32 HG LEU 32 47.109 13.558 -34.658 235 1HD1 LEU 32 1HD1 LEU 32 47.935 15.914 -35.738 236 2HD1 LEU 32 2HD1 LEU 32 47.512 16.395 -34.095 237 3HD1 LEU 32 3HD1 LEU 32 48.686 15.106 -34.362 238 1HD2 LEU 32 1HD2 LEU 32 44.782 14.354 -33.709 239 2HD2 LEU 32 2HD2 LEU 32 46.191 14.185 -32.661 240 3HD2 LEU 32 3HD2 LEU 32 45.718 15.779 -33.252 241 H GLY 33 H GLY 33 47.854 13.810 -36.761 242 1HA GLY 33 1HA GLY 33 48.291 11.855 -38.908 243 2HA GLY 33 2HA GLY 33 48.765 13.524 -39.177 244 H ASN 34 H ASN 34 49.832 14.190 -36.734 245 HA ASN 34 HA ASN 34 52.379 12.871 -36.888 246 1HB ASN 34 1HB ASN 34 52.815 14.448 -34.843 247 2HB ASN 34 2HB ASN 34 52.646 15.135 -36.455 248 2HD2 ASN 34 1HD2 ASN 34 51.874 15.682 -33.401 249 1HD2 ASN 34 2HD2 ASN 34 50.361 16.497 -33.584 250 H GLY 35 H GLY 35 49.511 12.418 -35.136 251 1HA GLY 35 1HA GLY 35 50.353 10.086 -33.873 252 2HA GLY 35 2HA GLY 35 50.536 11.388 -32.709 253 H VAL 36 H VAL 36 48.946 10.654 -31.324 254 HA VAL 36 HA VAL 36 46.204 10.995 -32.323 255 HB VAL 36 HB VAL 36 47.242 8.733 -30.626 256 1HG1 VAL 36 1HG1 VAL 36 44.649 10.055 -30.488 257 2HG1 VAL 36 2HG1 VAL 36 44.536 8.325 -30.809 258 3HG1 VAL 36 3HG1 VAL 36 45.394 8.902 -29.381 259 1HG2 VAL 36 1HG2 VAL 36 46.219 9.054 -33.338 260 2HG2 VAL 36 2HG2 VAL 36 47.225 7.782 -32.647 261 3HG2 VAL 36 3HG2 VAL 36 45.475 7.727 -32.446 262 H SER 37 H SER 37 45.377 12.693 -31.323 263 HA SER 37 HA SER 37 46.185 13.254 -28.554 264 1HB SER 37 1HB SER 37 46.543 15.022 -30.324 265 2HB SER 37 2HB SER 37 44.789 15.135 -30.466 266 HG SER 37 HG SER 37 44.668 15.906 -28.413 267 H CYS 38 H CYS 38 44.593 13.857 -27.007 268 HA CYS 38 HA CYS 38 41.825 13.188 -27.706 269 1HB CYS 38 2HB CYS 38 41.559 11.629 -26.003 270 2HB CYS 38 1HB CYS 38 42.941 12.234 -25.097 271 H GLN 39 H GLN 39 40.248 13.955 -26.125 272 HA GLN 39 HA GLN 39 41.194 16.406 -24.799 273 1HB GLN 39 1HB GLN 39 38.477 15.673 -25.898 274 2HB GLN 39 2HB GLN 39 38.786 17.119 -24.945 275 1HG GLN 39 1HG GLN 39 40.377 17.887 -26.638 276 2HG GLN 39 2HG GLN 39 40.044 16.445 -27.596 277 2HE2 GLN 39 1HE2 GLN 39 38.032 18.793 -25.850 278 1HE2 GLN 39 2HE2 GLN 39 37.001 19.159 -27.185 279 H GLU 40 H GLU 40 41.584 15.950 -22.719 280 HA GLU 40 HA GLU 40 40.600 13.945 -21.157 281 1HB GLU 40 1HB GLU 40 42.072 16.331 -20.738 282 2HB GLU 40 2HB GLU 40 40.817 16.270 -19.507 283 1HG GLU 40 1HG GLU 40 41.901 14.710 -18.374 284 2HG GLU 40 2HG GLU 40 42.074 13.702 -19.810 285 H THR 41 H THR 41 38.687 13.405 -20.369 286 HA THR 41 HA THR 41 36.603 13.604 -19.424 287 HB THR 41 HB THR 41 36.756 16.585 -19.881 288 HG1 THR 41 HG1 THR 41 37.266 16.289 -17.429 289 1HG2 THR 41 1HG2 THR 41 34.542 15.435 -19.348 290 2HG2 THR 41 2HG2 THR 41 35.232 15.089 -17.761 291 3HG2 THR 41 3HG2 THR 41 35.026 16.759 -18.289 292 H ALA 42 H ALA 42 37.129 15.869 -22.118 293 HA ALA 42 HA ALA 42 36.196 15.826 -24.229 294 1HB ALA 42 2HB ALA 42 34.109 13.862 -23.378 295 2HB ALA 42 3HB ALA 42 34.855 14.091 -24.960 296 3HB ALA 42 1HB ALA 42 35.766 13.328 -23.657 297 H VAL 43 H VAL 43 33.449 15.113 -22.069 298 HA VAL 43 HA VAL 43 31.727 17.010 -23.169 299 HB VAL 43 HB VAL 43 30.318 16.710 -21.253 300 1HG1 VAL 43 1HG1 VAL 43 31.757 14.297 -22.263 301 2HG1 VAL 43 2HG1 VAL 43 30.524 14.122 -21.015 302 3HG1 VAL 43 3HG1 VAL 43 30.106 14.833 -22.574 303 1HG2 VAL 43 1HG2 VAL 43 32.748 15.537 -19.906 304 2HG2 VAL 43 2HG2 VAL 43 31.905 17.024 -19.472 305 3HG2 VAL 43 3HG2 VAL 43 31.109 15.465 -19.258 306 H THR 44 H THR 44 30.693 18.715 -21.508 307 HA THR 44 HA THR 44 32.922 20.446 -20.655 308 HB THR 44 HB THR 44 30.629 22.045 -21.015 309 HG1 THR 44 HG1 THR 44 31.132 20.536 -23.371 310 1HG2 THR 44 1HG2 THR 44 33.246 22.273 -21.499 311 2HG2 THR 44 2HG2 THR 44 32.697 21.939 -23.141 312 3HG2 THR 44 3HG2 THR 44 32.050 23.322 -22.258 313 H GLN 45 H GLN 45 31.544 22.380 -19.315 314 HA GLN 45 HA GLN 45 30.670 20.919 -16.938 315 1HB GLN 45 1HB GLN 45 30.885 23.814 -16.673 316 2HB GLN 45 2HB GLN 45 31.648 22.540 -15.732 317 1HG GLN 45 1HG GLN 45 33.241 22.287 -17.718 318 2HG GLN 45 2HG GLN 45 32.613 23.846 -18.249 319 2HE2 GLN 45 1HE2 GLN 45 33.485 22.508 -15.081 320 1HE2 GLN 45 2HE2 GLN 45 34.576 23.777 -14.654 321 H THR 46 H THR 46 28.618 20.884 -16.279 322 HA THR 46 HA THR 46 26.650 22.440 -17.775 323 HB THR 46 HB THR 46 24.974 20.972 -16.883 324 HG1 THR 46 HG1 THR 46 26.009 20.825 -14.747 325 1HG2 THR 46 1HG2 THR 46 26.720 20.156 -18.656 326 2HG2 THR 46 2HG2 THR 46 27.216 19.058 -17.368 327 3HG2 THR 46 3HG2 THR 46 25.559 19.021 -17.968 328 H TYR 47 H TYR 47 24.990 23.640 -16.723 329 HA TYR 47 HA TYR 47 25.665 24.493 -13.986 330 1HB TYR 47 1HB TYR 47 24.620 26.747 -14.817 331 2HB TYR 47 2HB TYR 47 26.304 26.372 -15.174 332 HD1 TYR 47 HD1 TYR 47 22.884 26.114 -16.634 333 HD2 TYR 47 HD2 TYR 47 27.059 26.462 -17.375 334 HE1 TYR 47 HE1 TYR 47 22.428 26.412 -19.031 335 HE2 TYR 47 HE2 TYR 47 26.614 26.762 -19.775 336 HH TYR 47 HH TYR 47 23.347 26.481 -21.086 337 H GLY 48 H GLY 48 23.159 23.961 -16.391 338 1HA GLY 48 1HA GLY 48 21.258 23.359 -14.306 339 2HA GLY 48 2HA GLY 48 20.880 24.823 -15.198 340 H GLY 49 H GLY 49 19.491 24.543 -16.804 341 1HA GLY 49 1HA GLY 49 18.804 23.610 -18.864 342 2HA GLY 49 2HA GLY 49 19.703 22.153 -18.478 343 H ASN 50 H ASN 50 18.354 20.494 -18.342 344 HA ASN 50 HA ASN 50 15.704 20.926 -17.147 345 1HB ASN 50 1HB ASN 50 16.571 19.510 -19.466 346 2HB ASN 50 2HB ASN 50 15.903 18.342 -18.330 347 2HD2 ASN 50 1HD2 ASN 50 13.743 18.620 -17.612 348 1HD2 ASN 50 2HD2 ASN 50 12.603 19.497 -18.571 349 H SER 51 H SER 51 18.724 19.713 -16.422 350 HA SER 51 HA SER 51 17.617 17.842 -14.432 351 1HB SER 51 1HB SER 51 19.025 16.452 -15.591 352 2HB SER 51 2HB SER 51 20.079 17.771 -16.103 353 HG SER 51 HG SER 51 21.200 16.594 -14.603 354 H ASN 52 H ASN 52 19.825 20.489 -15.003 355 HA ASN 52 HA ASN 52 20.061 22.242 -13.399 356 1HB ASN 52 1HB ASN 52 18.860 21.041 -11.626 357 2HB ASN 52 2HB ASN 52 20.252 19.990 -11.408 358 2HD2 ASN 52 1HD2 ASN 52 18.959 23.169 -10.919 359 1HD2 ASN 52 2HD2 ASN 52 20.179 23.722 -9.828 360 H GLY 53 H GLY 53 21.789 19.272 -13.849 361 1HA GLY 53 1HA GLY 53 24.095 19.887 -14.804 362 2HA GLY 53 2HA GLY 53 24.329 20.629 -13.229 363 H GLU 54 H GLU 54 23.960 17.607 -14.957 364 HA GLU 54 HA GLU 54 25.355 16.261 -12.769 365 1HB GLU 54 1HB GLU 54 23.644 14.937 -12.213 366 2HB GLU 54 2HB GLU 54 22.616 15.915 -13.246 367 1HG GLU 54 1HG GLU 54 22.866 14.417 -15.063 368 2HG GLU 54 2HG GLU 54 24.171 13.551 -14.256 369 HA PRO 55 HA PRO 55 27.891 14.191 -15.683 370 1HB PRO 55 1HB PRO 55 27.294 11.496 -15.234 371 2HB PRO 55 2HB PRO 55 28.507 12.446 -14.374 372 1HG PRO 55 1HG PRO 55 25.723 11.753 -13.573 373 2HG PRO 55 2HG PRO 55 27.177 11.906 -12.571 374 1HD PRO 55 1HD PRO 55 25.292 13.811 -12.600 375 2HD PRO 55 2HD PRO 55 27.018 14.220 -12.477 376 H CYS 56 H CYS 56 27.533 14.215 -17.796 377 HA CYS 56 HA CYS 56 25.017 13.654 -18.970 378 1HB CYS 56 1HB CYS 56 27.608 13.718 -20.492 379 2HB CYS 56 2HB CYS 56 26.009 14.215 -21.031 380 H VAL 57 H VAL 57 24.882 12.118 -20.918 381 HA VAL 57 HA VAL 57 26.184 9.559 -20.267 382 HB VAL 57 HB VAL 57 23.811 9.636 -19.456 383 1HG1 VAL 57 1HG1 VAL 57 23.355 10.717 -22.015 384 2HG1 VAL 57 2HG1 VAL 57 22.548 9.149 -21.971 385 3HG1 VAL 57 3HG1 VAL 57 22.174 10.367 -20.755 386 1HG2 VAL 57 1HG2 VAL 57 24.666 7.649 -21.543 387 2HG2 VAL 57 2HG2 VAL 57 24.727 7.494 -19.786 388 3HG2 VAL 57 3HG2 VAL 57 23.174 7.462 -20.621 389 H LEU 58 H LEU 58 27.549 10.583 -22.078 390 HA LEU 58 HA LEU 58 26.418 9.735 -24.660 391 1HB LEU 58 1HB LEU 58 28.673 11.561 -24.878 392 2HB LEU 58 2HB LEU 58 27.127 11.585 -25.699 393 HG LEU 58 HG LEU 58 26.133 12.651 -23.671 394 1HD1 LEU 58 1HD1 LEU 58 28.851 12.192 -22.686 395 2HD1 LEU 58 2HD1 LEU 58 28.229 13.818 -22.396 396 3HD1 LEU 58 3HD1 LEU 58 27.342 12.415 -21.801 397 1HD2 LEU 58 1HD2 LEU 58 26.917 13.904 -25.674 398 2HD2 LEU 58 2HD2 LEU 58 26.956 14.838 -24.178 399 3HD2 LEU 58 3HD2 LEU 58 28.446 14.173 -24.842 400 HA PRO 59 HA PRO 59 28.170 10.503 -26.796 401 1HB PRO 59 2HB PRO 59 28.995 9.565 -28.705 402 2HB PRO 59 1HB PRO 59 28.359 7.968 -28.309 403 1HG PRO 59 1HG PRO 59 30.629 7.615 -27.920 404 2HG PRO 59 2HG PRO 59 30.883 9.285 -27.374 405 1HD PRO 59 1HD PRO 59 29.636 6.986 -25.913 406 2HD PRO 59 2HD PRO 59 30.789 8.198 -25.318 407 H PHE 60 H PHE 60 26.067 10.880 -27.114 408 HA PHE 60 HA PHE 60 24.200 8.613 -26.836 409 1HB PHE 60 1HB PHE 60 22.484 10.441 -26.394 410 2HB PHE 60 2HB PHE 60 23.701 10.198 -25.145 411 HD1 PHE 60 HD1 PHE 60 23.531 12.144 -28.330 412 HD2 PHE 60 HD2 PHE 60 24.343 12.149 -24.154 413 HE1 PHE 60 HE1 PHE 60 24.131 14.525 -28.455 414 HE2 PHE 60 HE2 PHE 60 24.943 14.531 -24.272 415 HZ PHE 60 HZ PHE 60 24.840 15.720 -26.424 416 H THR 61 H THR 61 21.995 9.305 -28.022 417 HA THR 61 HA THR 61 22.745 10.145 -30.744 418 HB THR 61 HB THR 61 20.431 8.330 -30.506 419 HG1 THR 61 HG1 THR 61 21.530 6.597 -29.875 420 1HG2 THR 61 1HG2 THR 61 22.842 8.440 -32.322 421 2HG2 THR 61 2HG2 THR 61 21.469 7.352 -32.519 422 3HG2 THR 61 3HG2 THR 61 21.241 9.094 -32.669 423 H TYR 62 H TYR 62 21.633 11.801 -31.533 424 HA TYR 62 HA TYR 62 18.908 12.293 -30.607 425 1HB TYR 62 1HB TYR 62 20.227 13.665 -29.119 426 2HB TYR 62 2HB TYR 62 21.140 14.327 -30.470 427 HD1 TYR 62 HD1 TYR 62 17.695 14.136 -29.075 428 HD2 TYR 62 HD2 TYR 62 20.438 16.294 -31.505 429 HE1 TYR 62 HE1 TYR 62 16.070 15.972 -29.266 430 HE2 TYR 62 HE2 TYR 62 18.821 18.137 -31.705 431 HH TYR 62 HH TYR 62 16.007 18.332 -29.763 432 H ASN 63 H ASN 63 17.609 12.792 -32.244 433 HA ASN 63 HA ASN 63 16.856 13.515 -34.268 434 1HB ASN 63 1HB ASN 63 19.281 15.100 -33.863 435 2HB ASN 63 2HB ASN 63 18.904 14.833 -35.562 436 2HD2 ASN 63 1HD2 ASN 63 18.855 17.336 -34.407 437 1HD2 ASN 63 2HD2 ASN 63 17.227 17.911 -34.370 438 H GLY 64 H GLY 64 19.154 11.290 -33.764 439 1HA GLY 64 1HA GLY 64 19.151 9.386 -35.293 440 2HA GLY 64 2HA GLY 64 19.210 10.538 -36.617 441 H ARG 65 H ARG 65 21.212 12.050 -34.747 442 HA ARG 65 HA ARG 65 23.543 10.560 -35.729 443 1HB ARG 65 2HB ARG 65 23.335 12.868 -36.524 444 2HB ARG 65 1HB ARG 65 24.776 12.656 -35.539 445 1HG ARG 65 1HG ARG 65 22.756 13.441 -33.768 446 2HG ARG 65 2HG ARG 65 24.136 14.390 -34.327 447 1HD ARG 65 1HD ARG 65 21.992 14.296 -36.283 448 2HD ARG 65 2HD ARG 65 21.461 14.967 -34.741 449 HE ARG 65 HE ARG 65 23.701 16.339 -35.138 450 1HH1 ARG 65 1HH1 ARG 65 21.101 15.576 -37.323 451 2HH1 ARG 65 2HH1 ARG 65 21.305 17.009 -38.274 452 1HH2 ARG 65 1HH2 ARG 65 23.981 18.231 -36.382 453 2HH2 ARG 65 2HH2 ARG 65 22.943 18.519 -37.739 454 H THR 66 H THR 66 25.549 11.521 -34.197 455 HA THR 66 HA THR 66 24.826 10.895 -31.420 456 HB THR 66 HB THR 66 27.370 9.783 -32.541 457 HG1 THR 66 HG1 THR 66 26.328 8.001 -33.298 458 1HG2 THR 66 1HG2 THR 66 26.724 9.848 -30.063 459 2HG2 THR 66 2HG2 THR 66 25.538 8.607 -30.466 460 3HG2 THR 66 3HG2 THR 66 27.256 8.300 -30.719 461 H PHE 67 H PHE 67 26.332 11.656 -29.834 462 HA PHE 67 HA PHE 67 28.401 13.497 -30.754 463 1HB PHE 67 1HB PHE 67 26.528 14.488 -28.640 464 2HB PHE 67 2HB PHE 67 27.559 15.402 -29.735 465 HD1 PHE 67 HD1 PHE 67 24.727 12.971 -30.035 466 HD2 PHE 67 HD2 PHE 67 26.452 16.660 -31.282 467 HE1 PHE 67 HE1 PHE 67 22.797 13.373 -31.509 468 HE2 PHE 67 HE2 PHE 67 24.526 17.065 -32.757 469 HZ PHE 67 HZ PHE 67 22.698 15.423 -32.873 470 H TYR 68 H TYR 68 30.176 13.389 -29.529 471 HA TYR 68 HA TYR 68 30.130 11.734 -27.132 472 1HB TYR 68 1HB TYR 68 32.361 12.914 -28.791 473 2HB TYR 68 2HB TYR 68 32.654 12.088 -27.267 474 HD1 TYR 68 HD1 TYR 68 30.058 10.994 -29.638 475 HD2 TYR 68 HD2 TYR 68 34.015 10.359 -28.222 476 HE1 TYR 68 HE1 TYR 68 30.137 8.851 -30.838 477 HE2 TYR 68 HE2 TYR 68 34.107 8.213 -29.412 478 HH TYR 68 HH TYR 68 31.467 6.629 -30.553 479 H SER 69 H SER 69 29.067 14.568 -27.308 480 HA SER 69 HA SER 69 29.790 15.446 -24.752 481 1HB SER 69 1HB SER 69 30.870 17.579 -26.381 482 2HB SER 69 2HB SER 69 31.603 16.741 -25.014 483 HG SER 69 HG SER 69 32.642 15.449 -26.344 484 H CYS 70 H CYS 70 29.142 17.890 -24.487 485 HA CYS 70 HA CYS 70 26.468 18.173 -25.020 486 1HB CYS 70 2HB CYS 70 26.664 20.429 -24.315 487 2HB CYS 70 1HB CYS 70 28.332 20.539 -24.863 488 H THR 71 H THR 71 25.446 19.969 -26.357 489 HA THR 71 HA THR 71 26.752 20.739 -28.789 490 HB THR 71 HB THR 71 26.180 18.353 -29.270 491 HG1 THR 71 HG1 THR 71 24.892 19.009 -31.247 492 1HG2 THR 71 1HG2 THR 71 23.583 19.266 -28.315 493 2HG2 THR 71 2HG2 THR 71 23.489 18.453 -29.877 494 3HG2 THR 71 3HG2 THR 71 24.207 17.626 -28.496 495 H THR 72 H THR 72 24.979 21.633 -30.381 496 HA THR 72 HA THR 72 22.844 22.924 -28.824 497 HB THR 72 HB THR 72 23.279 25.006 -30.231 498 HG1 THR 72 HG1 THR 72 24.895 23.609 -31.533 499 1HG2 THR 72 1HG2 THR 72 25.114 24.030 -28.068 500 2HG2 THR 72 2HG2 THR 72 25.318 25.632 -28.774 501 3HG2 THR 72 3HG2 THR 72 23.808 25.210 -27.968 502 H GLU 73 H GLU 73 22.724 20.664 -30.619 503 HA GLU 73 HA GLU 73 21.544 21.674 -33.075 504 1HB GLU 73 1HB GLU 73 22.097 18.911 -32.013 505 2HB GLU 73 2HB GLU 73 21.163 19.174 -33.478 506 1HG GLU 73 1HG GLU 73 24.054 19.718 -32.965 507 2HG GLU 73 2HG GLU 73 23.305 18.787 -34.262 508 H GLY 74 H GLY 74 20.419 21.677 -30.108 509 1HA GLY 74 1HA GLY 74 17.717 20.779 -30.896 510 2HA GLY 74 2HA GLY 74 18.333 20.645 -29.257 511 H ARG 75 H ARG 75 19.478 23.491 -30.464 512 HA ARG 75 HA ARG 75 17.093 25.021 -29.700 513 1HB ARG 75 1HB ARG 75 18.664 26.607 -28.477 514 2HB ARG 75 2HB ARG 75 18.329 25.072 -27.690 515 1HG ARG 75 1HG ARG 75 20.649 24.915 -29.412 516 2HG ARG 75 2HG ARG 75 20.815 26.173 -28.186 517 1HD ARG 75 1HD ARG 75 21.571 23.748 -27.649 518 2HD ARG 75 2HD ARG 75 20.687 24.672 -26.438 519 HE ARG 75 HE ARG 75 19.667 22.427 -28.017 520 1HH1 ARG 75 1HH1 ARG 75 19.111 24.840 -25.551 521 2HH1 ARG 75 2HH1 ARG 75 17.722 24.037 -24.907 522 1HH2 ARG 75 1HH2 ARG 75 17.838 21.379 -27.170 523 2HH2 ARG 75 2HH2 ARG 75 16.998 22.075 -25.825 524 H GLN 76 H GLN 76 17.684 27.495 -30.058 525 HA GLN 76 HA GLN 76 19.038 27.703 -32.665 526 1HB GLN 76 1HB GLN 76 16.520 29.110 -31.764 527 2HB GLN 76 2HB GLN 76 17.375 29.451 -33.262 528 1HG GLN 76 1HG GLN 76 17.001 26.742 -33.394 529 2HG GLN 76 2HG GLN 76 15.526 27.300 -32.606 530 2HE2 GLN 76 1HE2 GLN 76 14.449 29.175 -33.674 531 1HE2 GLN 76 2HE2 GLN 76 14.412 29.192 -35.401 532 H ASP 77 H ASP 77 19.284 28.515 -29.535 533 HA ASP 77 HA ASP 77 20.124 31.276 -29.932 534 1HB ASP 77 1HB ASP 77 18.972 29.906 -27.789 535 2HB ASP 77 2HB ASP 77 20.633 30.207 -27.287 536 H GLY 78 H GLY 78 21.516 28.355 -28.449 537 1HA GLY 78 1HA GLY 78 23.749 27.782 -29.576 538 2HA GLY 78 2HA GLY 78 24.186 29.415 -29.103 539 H HIS 79 H HIS 79 22.229 27.306 -27.090 540 HA HIS 79 HA HIS 79 24.371 27.363 -25.092 541 1HB HIS 79 1HB HIS 79 21.619 26.346 -24.499 542 2HB HIS 79 2HB HIS 79 22.758 27.170 -23.438 543 HD1 HIS 79 HD1 HIS 79 19.656 27.893 -24.182 544 HD2 HIS 79 HD2 HIS 79 23.114 29.885 -25.336 545 HE1 HIS 79 HE1 HIS 79 18.932 30.241 -24.717 546 HE2 HIS 79 HE2 HIS 79 21.020 31.392 -25.530 547 H LEU 80 H LEU 80 25.592 25.630 -24.817 548 HA LEU 80 HA LEU 80 25.113 23.181 -26.153 549 1HB LEU 80 1HB LEU 80 27.116 24.188 -24.194 550 2HB LEU 80 2HB LEU 80 26.974 22.452 -24.393 551 HG LEU 80 HG LEU 80 27.483 22.645 -26.766 552 1HD1 LEU 80 1HD1 LEU 80 26.698 25.322 -26.407 553 2HD1 LEU 80 2HD1 LEU 80 28.401 25.350 -26.867 554 3HD1 LEU 80 3HD1 LEU 80 27.223 24.533 -27.895 555 1HD2 LEU 80 1HD2 LEU 80 29.342 23.841 -24.761 556 2HD2 LEU 80 2HD2 LEU 80 29.437 22.293 -25.601 557 3HD2 LEU 80 3HD2 LEU 80 29.809 23.787 -26.460 558 H TRP 81 H TRP 81 24.399 21.213 -25.415 559 HA TRP 81 HA TRP 81 23.574 20.961 -22.629 560 1HB TRP 81 1HB TRP 81 21.312 20.192 -23.271 561 2HB TRP 81 2HB TRP 81 21.593 21.875 -23.706 562 HD1 TRP 81 HD1 TRP 81 21.806 22.447 -26.324 563 HE1 TRP 81 HE1 TRP 81 21.007 21.181 -28.416 564 HE3 TRP 81 HE3 TRP 81 20.962 17.861 -24.227 565 HZ2 TRP 81 HZ2 TRP 81 20.133 18.585 -29.091 566 HZ3 TRP 81 HZ3 TRP 81 20.145 16.040 -25.666 567 HH2 TRP 81 HH2 TRP 81 19.738 16.396 -28.047 568 H CYS 82 H CYS 82 23.456 18.860 -21.891 569 HA CYS 82 HA CYS 82 24.103 16.729 -23.810 570 1HB CYS 82 1HB CYS 82 25.772 15.811 -22.379 571 2HB CYS 82 2HB CYS 82 26.130 17.529 -22.518 572 H SER 83 H SER 83 23.446 14.609 -23.168 573 HA SER 83 HA SER 83 21.020 14.643 -21.595 574 1HB SER 83 1HB SER 83 20.700 13.321 -23.468 575 2HB SER 83 2HB SER 83 22.343 12.681 -23.426 576 HG SER 83 HG SER 83 21.132 11.033 -22.702 577 H THR 84 H THR 84 20.651 13.549 -19.692 578 HA THR 84 HA THR 84 23.066 12.733 -18.245 579 HB THR 84 HB THR 84 21.744 13.005 -16.192 580 HG1 THR 84 HG1 THR 84 19.628 13.802 -16.332 581 1HG2 THR 84 1HG2 THR 84 21.761 15.324 -18.117 582 2HG2 THR 84 2HG2 THR 84 21.317 15.494 -16.418 583 3HG2 THR 84 3HG2 THR 84 22.937 14.948 -16.857 584 H THR 85 H THR 85 20.497 11.404 -19.898 585 HA THR 85 HA THR 85 20.889 8.833 -18.545 586 HB THR 85 HB THR 85 18.312 10.251 -19.004 587 HG1 THR 85 HG1 THR 85 19.385 8.465 -17.073 588 1HG2 THR 85 1HG2 THR 85 18.060 8.314 -20.483 589 2HG2 THR 85 2HG2 THR 85 18.544 7.241 -19.169 590 3HG2 THR 85 3HG2 THR 85 17.040 8.156 -19.053 591 H SER 86 H SER 86 21.272 7.175 -19.895 592 HA SER 86 HA SER 86 22.012 7.429 -22.492 593 1HB SER 86 1HB SER 86 20.553 4.928 -21.729 594 2HB SER 86 2HB SER 86 22.058 5.113 -22.626 595 HG SER 86 HG SER 86 21.608 5.164 -19.862 596 H ASN 87 H ASN 87 18.754 6.625 -21.342 597 HA ASN 87 HA ASN 87 17.712 6.821 -24.057 598 1HB ASN 87 1HB ASN 87 16.979 5.365 -21.738 599 2HB ASN 87 2HB ASN 87 15.653 6.467 -22.094 600 2HD2 ASN 87 1HD2 ASN 87 15.025 3.945 -22.287 601 1HD2 ASN 87 2HD2 ASN 87 14.928 3.413 -23.929 602 H TYR 88 H TYR 88 18.166 9.110 -24.258 603 HA TYR 88 HA TYR 88 16.873 10.996 -22.536 604 1HB TYR 88 1HB TYR 88 18.857 11.754 -23.598 605 2HB TYR 88 2HB TYR 88 18.294 11.237 -25.184 606 HD1 TYR 88 HD1 TYR 88 16.540 12.533 -26.357 607 HD2 TYR 88 HD2 TYR 88 18.236 13.877 -22.695 608 HE1 TYR 88 HE1 TYR 88 15.659 14.788 -26.783 609 HE2 TYR 88 HE2 TYR 88 17.359 16.135 -23.112 610 HH TYR 88 HH TYR 88 16.605 17.515 -24.923 611 H GLU 89 H GLU 89 15.994 9.204 -25.336 612 HA GLU 89 HA GLU 89 13.876 10.929 -26.186 613 1HB GLU 89 1HB GLU 89 14.642 8.095 -26.857 614 2HB GLU 89 2HB GLU 89 13.186 8.840 -27.503 615 1HG GLU 89 1HG GLU 89 14.402 10.415 -28.735 616 2HG GLU 89 2HG GLU 89 15.881 10.112 -27.824 617 H GLN 90 H GLN 90 14.258 8.759 -23.641 618 HA GLN 90 HA GLN 90 11.384 8.234 -23.424 619 1HB GLN 90 1HB GLN 90 12.434 6.210 -23.065 620 2HB GLN 90 2HB GLN 90 13.833 6.951 -22.303 621 1HG GLN 90 1HG GLN 90 12.483 5.633 -20.737 622 2HG GLN 90 2HG GLN 90 12.592 7.333 -20.279 623 2HE2 GLN 90 1HE2 GLN 90 10.527 5.122 -22.130 624 1HE2 GLN 90 2HE2 GLN 90 9.031 5.832 -21.637 625 H ASP 91 H ASP 91 14.100 9.348 -21.432 626 HA ASP 91 HA ASP 91 12.296 10.461 -19.457 627 1HB ASP 91 1HB ASP 91 14.943 9.524 -19.421 628 2HB ASP 91 2HB ASP 91 15.056 11.256 -19.123 629 H GLN 92 H GLN 92 14.677 11.643 -21.800 630 HA GLN 92 HA GLN 92 14.835 13.627 -22.909 631 1HB GLN 92 1HB GLN 92 12.138 13.365 -22.493 632 2HB GLN 92 2HB GLN 92 12.476 14.918 -21.741 633 1HG GLN 92 1HG GLN 92 11.934 15.472 -23.922 634 2HG GLN 92 2HG GLN 92 13.697 15.487 -23.920 635 2HE2 GLN 92 1HE2 GLN 92 10.877 13.549 -24.745 636 1HE2 GLN 92 2HE2 GLN 92 11.642 12.635 -25.995 637 H LYS 93 H LYS 93 15.649 13.155 -20.025 638 HA LYS 93 HA LYS 93 15.708 15.917 -19.064 639 1HB LYS 93 1HB LYS 93 15.619 15.059 -17.001 640 2HB LYS 93 2HB LYS 93 15.341 13.496 -17.750 641 1HG LYS 93 1HG LYS 93 18.141 14.433 -17.308 642 2HG LYS 93 2HG LYS 93 17.202 13.795 -15.962 643 1HD LYS 93 1HD LYS 93 16.692 11.871 -17.712 644 2HD LYS 93 2HD LYS 93 18.231 12.415 -18.383 645 1HE LYS 93 1HE LYS 93 19.235 11.141 -16.862 646 2HE LYS 93 2HE LYS 93 18.671 12.282 -15.644 647 1HZ LYS 93 1HZ LYS 93 16.599 10.484 -16.310 648 2HZ LYS 93 2HZ LYS 93 17.987 9.610 -15.896 649 3HZ LYS 93 3HZ LYS 93 17.344 10.737 -14.812 650 H TYR 94 H TYR 94 17.330 17.109 -19.769 651 HA TYR 94 HA TYR 94 19.980 15.851 -20.049 652 1HB TYR 94 2HB TYR 94 18.934 16.513 -22.210 653 2HB TYR 94 1HB TYR 94 20.451 17.341 -21.889 654 HD1 TYR 94 HD1 TYR 94 20.478 19.728 -21.335 655 HD2 TYR 94 HD2 TYR 94 16.846 17.723 -22.277 656 HE1 TYR 94 HE1 TYR 94 19.372 21.900 -21.669 657 HE2 TYR 94 HE2 TYR 94 15.731 19.889 -22.614 658 HH TYR 94 HH TYR 94 17.312 22.913 -21.832 659 H SER 95 H SER 95 21.466 18.122 -20.488 660 HA SER 95 HA SER 95 20.986 20.048 -18.395 661 1HB SER 95 1HB SER 95 23.642 19.117 -17.902 662 2HB SER 95 2HB SER 95 22.268 19.146 -16.795 663 HG SER 95 HG SER 95 23.402 17.045 -18.076 664 H PHE 96 H PHE 96 21.935 21.964 -18.853 665 HA PHE 96 HA PHE 96 23.118 22.324 -21.407 666 1HB PHE 96 1HB PHE 96 22.690 24.147 -19.051 667 2HB PHE 96 2HB PHE 96 23.537 24.690 -20.496 668 HD1 PHE 96 HD1 PHE 96 22.118 23.706 -22.713 669 HD2 PHE 96 HD2 PHE 96 20.568 24.982 -18.962 670 HE1 PHE 96 HE1 PHE 96 19.963 24.220 -23.784 671 HE2 PHE 96 HE2 PHE 96 18.410 25.495 -20.022 672 HZ PHE 96 HZ PHE 96 18.103 25.115 -22.437 673 H CYS 97 H CYS 97 25.168 23.806 -21.507 674 HA CYS 97 HA CYS 97 27.231 22.946 -19.631 675 1HB CYS 97 1HB CYS 97 27.555 22.591 -22.616 676 2HB CYS 97 2HB CYS 97 28.723 22.167 -21.370 677 H THR 98 H THR 98 29.047 24.306 -19.571 678 HA THR 98 HA THR 98 28.553 27.017 -20.179 679 HB THR 98 HB THR 98 30.924 27.363 -19.482 680 HG1 THR 98 HG1 THR 98 30.950 24.576 -18.943 681 1HG2 THR 98 1HG2 THR 98 28.930 25.901 -17.830 682 2HG2 THR 98 2HG2 THR 98 30.539 26.166 -17.162 683 3HG2 THR 98 3HG2 THR 98 29.552 27.542 -17.653 684 H ASP 99 H ASP 99 31.663 25.714 -21.084 685 HA ASP 99 HA ASP 99 32.695 25.480 -23.130 686 1HB ASP 99 1HB ASP 99 30.035 25.360 -23.882 687 2HB ASP 99 2HB ASP 99 30.656 26.716 -24.819 688 H HIS 100 H HIS 100 30.625 28.376 -22.967 689 HA HIS 100 HA HIS 100 33.029 30.000 -23.477 690 1HB HIS 100 1HB HIS 100 30.244 30.642 -24.463 691 2HB HIS 100 2HB HIS 100 31.715 31.552 -24.793 692 HD1 HIS 100 HD1 HIS 100 33.630 29.491 -25.778 693 HD2 HIS 100 HD2 HIS 100 29.599 29.428 -26.783 694 HE1 HIS 100 HE1 HIS 100 33.487 28.149 -27.900 695 HE2 HIS 100 HE2 HIS 100 31.028 28.044 -28.436 696 H THR 101 H THR 101 32.107 32.486 -23.079 697 HA THR 101 HA THR 101 31.526 32.473 -20.223 698 HB THR 101 HB THR 101 33.374 33.868 -20.897 699 HG1 THR 101 HG1 THR 101 32.612 35.859 -20.028 700 1HG2 THR 101 1HG2 THR 101 31.384 35.068 -22.808 701 2HG2 THR 101 2HG2 THR 101 32.858 35.912 -22.335 702 3HG2 THR 101 3HG2 THR 101 32.959 34.359 -23.165 No H/Q in entry = 702 Start of MODEL 24 1 H1 TYR 1 H1 TYR 1 50.700 5.364 -38.041 2 H2 TYR 1 H2 TYR 1 51.637 6.738 -38.348 3 H3 TYR 1 H3 TYR 1 49.984 6.746 -38.706 4 HA TYR 1 HA TYR 1 51.277 6.502 -40.717 5 1HB TYR 1 1HB TYR 1 52.347 4.011 -40.702 6 2HB TYR 1 2HB TYR 1 53.255 5.467 -40.309 7 HD1 TYR 1 HD1 TYR 1 53.489 6.114 -37.864 8 HD2 TYR 1 HD2 TYR 1 52.059 2.306 -39.111 9 HE1 TYR 1 HE1 TYR 1 53.995 5.203 -35.638 10 HE2 TYR 1 HE2 TYR 1 52.559 1.384 -36.887 11 HH TYR 1 HH TYR 1 54.038 1.883 -34.975 12 H GLY 2 H GLY 2 50.122 3.582 -39.007 13 1HA GLY 2 1HA GLY 2 48.045 3.330 -41.089 14 2HA GLY 2 2HA GLY 2 48.991 1.937 -40.585 15 H HIS 3 H HIS 3 47.770 0.633 -39.404 16 HA HIS 3 HA HIS 3 45.386 1.173 -38.175 17 1HB HIS 3 1HB HIS 3 47.497 -0.893 -37.743 18 2HB HIS 3 2HB HIS 3 46.184 -0.785 -36.578 19 HD1 HIS 3 HD1 HIS 3 46.562 -1.068 -40.356 20 HD2 HIS 3 HD2 HIS 3 44.039 -2.271 -37.282 21 HE1 HIS 3 HE1 HIS 3 44.834 -2.538 -41.442 22 HE2 HIS 3 HE2 HIS 3 43.379 -3.335 -39.546 23 H CYS 4 H CYS 4 44.774 1.412 -35.935 24 HA CYS 4 HA CYS 4 46.783 2.914 -34.385 25 1HB CYS 4 1HB CYS 4 44.507 3.792 -33.283 26 2HB CYS 4 2HB CYS 4 45.228 4.545 -34.696 27 H VAL 5 H VAL 5 47.259 2.250 -32.380 28 HA VAL 5 HA VAL 5 45.629 0.072 -31.244 29 HB VAL 5 HB VAL 5 48.595 0.504 -30.879 30 1HG1 VAL 5 1HG1 VAL 5 47.059 -0.656 -29.080 31 2HG1 VAL 5 2HG1 VAL 5 47.189 -2.025 -30.185 32 3HG1 VAL 5 3HG1 VAL 5 48.645 -1.312 -29.488 33 1HG2 VAL 5 1HG2 VAL 5 47.886 -0.222 -33.174 34 2HG2 VAL 5 2HG2 VAL 5 48.954 -1.348 -32.334 35 3HG2 VAL 5 3HG2 VAL 5 47.226 -1.680 -32.436 36 H THR 6 H THR 6 45.109 0.131 -29.096 37 HA THR 6 HA THR 6 45.489 2.708 -27.770 38 HB THR 6 HB THR 6 43.700 2.077 -26.288 39 HG1 THR 6 HG1 THR 6 42.799 -0.204 -27.172 40 1HG2 THR 6 1HG2 THR 6 43.051 2.909 -28.507 41 2HG2 THR 6 2HG2 THR 6 43.012 1.252 -29.112 42 3HG2 THR 6 3HG2 THR 6 41.868 1.765 -27.873 43 H ASP 7 H ASP 7 47.707 2.346 -27.198 44 HA ASP 7 HA ASP 7 49.333 1.879 -25.676 45 1HB ASP 7 1HB ASP 7 47.795 2.398 -23.914 46 2HB ASP 7 2HB ASP 7 46.976 0.850 -24.096 47 H SER 8 H SER 8 47.051 -0.852 -25.609 48 HA SER 8 HA SER 8 48.447 -2.666 -27.088 49 1HB SER 8 1HB SER 8 50.387 -2.530 -25.728 50 2HB SER 8 2HB SER 8 49.441 -2.589 -24.240 51 HG SER 8 HG SER 8 48.980 -4.738 -24.646 52 H GLY 9 H GLY 9 45.826 -2.268 -26.684 53 1HA GLY 9 1HA GLY 9 45.003 -4.729 -25.277 54 2HA GLY 9 2HA GLY 9 44.088 -3.239 -25.113 55 H VAL 10 H VAL 10 44.217 -2.380 -27.792 56 HA VAL 10 HA VAL 10 42.811 -4.526 -29.232 57 HB VAL 10 HB VAL 10 41.860 -1.724 -29.578 58 1HG1 VAL 10 1HG1 VAL 10 40.816 -4.487 -29.933 59 2HG1 VAL 10 2HG1 VAL 10 39.666 -3.186 -29.625 60 3HG1 VAL 10 3HG1 VAL 10 40.740 -3.101 -31.022 61 1HG2 VAL 10 1HG2 VAL 10 42.011 -2.166 -27.103 62 2HG2 VAL 10 2HG2 VAL 10 40.396 -1.797 -27.709 63 3HG2 VAL 10 3HG2 VAL 10 40.841 -3.464 -27.343 64 H VAL 11 H VAL 11 42.404 -3.726 -31.606 65 HA VAL 11 HA VAL 11 44.815 -2.331 -32.566 66 HB VAL 11 HB VAL 11 43.600 -4.812 -33.792 67 1HG1 VAL 11 1HG1 VAL 11 45.196 -2.722 -34.920 68 2HG1 VAL 11 2HG1 VAL 11 46.118 -4.227 -34.900 69 3HG1 VAL 11 3HG1 VAL 11 44.544 -4.167 -35.694 70 1HG2 VAL 11 1HG2 VAL 11 45.898 -4.337 -31.987 71 2HG2 VAL 11 2HG2 VAL 11 44.841 -5.740 -32.133 72 3HG2 VAL 11 3HG2 VAL 11 46.137 -5.488 -33.301 73 H TYR 12 H TYR 12 43.331 -0.502 -32.642 74 HA TYR 12 HA TYR 12 41.062 -0.463 -34.333 75 1HB TYR 12 1HB TYR 12 42.827 1.740 -33.256 76 2HB TYR 12 2HB TYR 12 41.387 2.053 -34.217 77 HD1 TYR 12 HD1 TYR 12 40.880 -0.831 -32.263 78 HD2 TYR 12 HD2 TYR 12 40.951 3.416 -32.024 79 HE1 TYR 12 HE1 TYR 12 39.495 -0.931 -30.232 80 HE2 TYR 12 HE2 TYR 12 39.560 3.328 -29.992 81 HH TYR 12 HH TYR 12 38.057 0.405 -28.915 82 H SER 13 H SER 13 41.225 1.544 -36.086 83 HA SER 13 HA SER 13 43.555 1.073 -37.790 84 1HB SER 13 1HB SER 13 41.316 -0.349 -38.294 85 2HB SER 13 2HB SER 13 40.958 1.114 -39.211 86 HG SER 13 HG SER 13 42.327 0.466 -40.652 87 H VAL 14 H VAL 14 43.852 2.667 -39.443 88 HA VAL 14 HA VAL 14 43.603 5.276 -38.643 89 HB VAL 14 HB VAL 14 45.127 4.861 -40.376 90 1HG1 VAL 14 1HG1 VAL 14 43.083 3.128 -41.355 91 2HG1 VAL 14 2HG1 VAL 14 43.598 4.204 -42.655 92 3HG1 VAL 14 3HG1 VAL 14 44.785 3.208 -41.813 93 1HG2 VAL 14 1HG2 VAL 14 43.204 6.838 -40.665 94 2HG2 VAL 14 2HG2 VAL 14 44.767 6.766 -41.476 95 3HG2 VAL 14 3HG2 VAL 14 43.331 6.120 -42.270 96 H GLY 15 H GLY 15 41.493 5.636 -37.843 97 1HA GLY 15 1HA GLY 15 39.678 7.130 -38.605 98 2HA GLY 15 2HA GLY 15 39.477 6.039 -39.963 99 H MET 16 H MET 16 39.797 5.520 -36.465 100 HA MET 16 HA MET 16 37.188 4.152 -36.525 101 1HB MET 16 1HB MET 16 39.812 3.171 -35.632 102 2HB MET 16 2HB MET 16 38.511 2.906 -34.478 103 1HG MET 16 1HG MET 16 37.882 2.201 -37.258 104 2HG MET 16 2HG MET 16 39.137 1.226 -36.495 105 1HE MET 16 1HE MET 16 38.717 0.879 -33.788 106 2HE MET 16 2HE MET 16 37.334 -0.114 -33.331 107 3HE MET 16 3HE MET 16 38.492 -0.709 -34.521 108 H GLN 17 H GLN 17 37.494 6.834 -35.891 109 HA GLN 17 HA GLN 17 37.931 7.974 -33.614 110 1HB GLN 17 1HB GLN 17 35.378 7.928 -35.152 111 2HB GLN 17 2HB GLN 17 35.403 8.767 -33.607 112 1HG GLN 17 1HG GLN 17 37.346 10.086 -34.438 113 2HG GLN 17 2HG GLN 17 37.114 9.332 -36.014 114 2HE2 GLN 17 1HE2 GLN 17 36.320 11.917 -34.068 115 1HE2 GLN 17 2HE2 GLN 17 34.973 12.524 -34.964 116 H TRP 18 H TRP 18 37.593 7.847 -31.470 117 HA TRP 18 HA TRP 18 35.440 6.258 -30.381 118 1HB TRP 18 1HB TRP 18 36.774 4.690 -29.176 119 2HB TRP 18 2HB TRP 18 37.295 4.624 -30.856 120 HD1 TRP 18 HD1 TRP 18 38.505 5.592 -27.378 121 HE1 TRP 18 HE1 TRP 18 41.048 5.973 -27.461 122 HE3 TRP 18 HE3 TRP 18 39.192 5.391 -32.436 123 HZ2 TRP 18 HZ2 TRP 18 43.081 6.164 -29.422 124 HZ3 TRP 18 HZ3 TRP 18 41.457 5.679 -33.335 125 HH2 TRP 18 HH2 TRP 18 43.361 6.055 -31.862 126 H LEU 19 H LEU 19 36.041 6.069 -27.806 127 HA LEU 19 HA LEU 19 37.047 8.669 -26.908 128 1HB LEU 19 1HB LEU 19 34.559 8.776 -27.207 129 2HB LEU 19 2HB LEU 19 34.410 7.525 -25.988 130 HG LEU 19 HG LEU 19 35.912 9.367 -24.657 131 1HD1 LEU 19 1HD1 LEU 19 35.065 10.753 -26.899 132 2HD1 LEU 19 2HD1 LEU 19 33.926 11.231 -25.641 133 3HD1 LEU 19 3HD1 LEU 19 35.657 11.452 -25.392 134 1HD2 LEU 19 1HD2 LEU 19 33.518 8.155 -24.339 135 2HD2 LEU 19 2HD2 LEU 19 34.151 9.396 -23.258 136 3HD2 LEU 19 3HD2 LEU 19 33.012 9.833 -24.531 137 H LYS 20 H LYS 20 38.376 8.452 -25.238 138 HA LYS 20 HA LYS 20 38.341 5.916 -23.750 139 1HB LYS 20 1HB LYS 20 40.673 6.617 -23.063 140 2HB LYS 20 2HB LYS 20 40.457 6.245 -24.767 141 1HG LYS 20 1HG LYS 20 40.429 8.566 -25.340 142 2HG LYS 20 2HG LYS 20 40.415 9.033 -23.638 143 1HD LYS 20 1HD LYS 20 42.641 7.441 -24.894 144 2HD LYS 20 2HD LYS 20 42.647 9.203 -24.801 145 1HE LYS 20 2HE LYS 20 42.023 8.376 -22.225 146 2HE LYS 20 1HE LYS 20 43.575 8.993 -22.788 147 1HZ LYS 20 1HZ LYS 20 43.881 6.507 -23.507 148 2HZ LYS 20 2HZ LYS 20 44.213 7.002 -21.924 149 3HZ LYS 20 3HZ LYS 20 42.750 6.230 -22.279 150 H THR 21 H THR 21 39.433 6.306 -21.451 151 HA THR 21 HA THR 21 38.069 8.587 -20.174 152 HB THR 21 HB THR 21 38.359 6.141 -18.544 153 HG1 THR 21 HG1 THR 21 36.163 6.202 -20.302 154 1HG2 THR 21 1HG2 THR 21 36.318 8.308 -18.942 155 2HG2 THR 21 2HG2 THR 21 35.945 6.856 -18.013 156 3HG2 THR 21 3HG2 THR 21 37.255 7.920 -17.499 157 H GLN 22 H GLN 22 38.999 9.282 -18.151 158 HA GLN 22 HA GLN 22 41.866 8.634 -17.955 159 1HB GLN 22 1HB GLN 22 40.387 11.218 -17.502 160 2HB GLN 22 2HB GLN 22 42.012 10.953 -16.885 161 1HG GLN 22 1HG GLN 22 41.961 10.221 -19.631 162 2HG GLN 22 2HG GLN 22 41.223 11.813 -19.455 163 2HE2 GLN 22 1HE2 GLN 22 44.115 9.934 -19.091 164 1HE2 GLN 22 2HE2 GLN 22 45.199 11.260 -18.874 165 H GLY 23 H GLY 23 39.278 7.628 -16.555 166 1HA GLY 23 1HA GLY 23 39.372 6.458 -14.470 167 2HA GLY 23 2HA GLY 23 40.469 7.688 -13.866 168 H ASN 24 H ASN 24 39.419 9.965 -13.897 169 HA ASN 24 HA ASN 24 36.759 9.696 -12.666 170 1HB ASN 24 1HB ASN 24 39.151 11.300 -11.990 171 2HB ASN 24 2HB ASN 24 37.603 12.120 -11.809 172 2HD2 ASN 24 1HD2 ASN 24 38.982 11.819 -9.593 173 1HD2 ASN 24 2HD2 ASN 24 38.332 10.571 -8.591 174 H LYS 25 H LYS 25 38.012 10.506 -15.519 175 HA LYS 25 HA LYS 25 35.846 12.382 -16.079 176 1HB LYS 25 1HB LYS 25 38.469 13.000 -17.346 177 2HB LYS 25 2HB LYS 25 37.143 14.076 -16.928 178 1HG LYS 25 1HG LYS 25 38.894 14.659 -15.489 179 2HG LYS 25 2HG LYS 25 37.792 13.695 -14.504 180 1HD LYS 25 1HD LYS 25 39.231 11.902 -14.411 181 2HD LYS 25 2HD LYS 25 40.029 12.329 -15.927 182 1HE LYS 25 1HE LYS 25 41.099 12.730 -13.474 183 2HE LYS 25 2HE LYS 25 41.522 13.666 -14.906 184 1HZ LYS 25 1HZ LYS 25 39.246 14.538 -13.275 185 2HZ LYS 25 2HZ LYS 25 40.809 14.843 -12.707 186 3HZ LYS 25 3HZ LYS 25 40.319 15.459 -14.204 187 H GLN 26 H GLN 26 36.640 12.941 -18.735 188 HA GLN 26 HA GLN 26 36.911 10.336 -20.023 189 1HB GLN 26 1HB GLN 26 34.915 11.424 -21.541 190 2HB GLN 26 2HB GLN 26 34.685 10.195 -20.305 191 1HG GLN 26 1HG GLN 26 34.061 11.831 -18.688 192 2HG GLN 26 2HG GLN 26 34.511 13.147 -19.771 193 2HE2 GLN 26 1HE2 GLN 26 32.767 14.153 -20.446 194 1HE2 GLN 26 2HE2 GLN 26 31.289 13.411 -20.948 195 H MET 27 H MET 27 37.631 10.423 -22.158 196 HA MET 27 HA MET 27 38.182 13.040 -23.329 197 1HB MET 27 1HB MET 27 40.138 11.819 -21.867 198 2HB MET 27 2HB MET 27 40.469 11.190 -23.475 199 1HG MET 27 1HG MET 27 40.152 13.790 -24.054 200 2HG MET 27 2HG MET 27 40.762 13.916 -22.405 201 1HE MET 27 1HE MET 27 42.636 12.765 -21.529 202 2HE MET 27 2HE MET 27 43.255 11.363 -22.403 203 3HE MET 27 3HE MET 27 44.199 12.852 -22.341 204 H LEU 28 H LEU 28 38.199 13.033 -25.544 205 HA LEU 28 HA LEU 28 37.419 10.509 -26.802 206 1HB LEU 28 1HB LEU 28 35.957 12.402 -27.199 207 2HB LEU 28 2HB LEU 28 37.302 13.357 -27.794 208 HG LEU 28 HG LEU 28 37.262 11.050 -29.389 209 1HD1 LEU 28 1HD1 LEU 28 34.573 11.847 -28.508 210 2HD1 LEU 28 2HD1 LEU 28 34.781 11.660 -30.250 211 3HD1 LEU 28 3HD1 LEU 28 35.149 10.316 -29.168 212 1HD2 LEU 28 1HD2 LEU 28 37.784 13.511 -29.887 213 2HD2 LEU 28 2HD2 LEU 28 37.003 12.561 -31.150 214 3HD2 LEU 28 3HD2 LEU 28 36.052 13.679 -30.173 215 H CYS 29 H CYS 29 38.783 9.379 -28.033 216 HA CYS 29 HA CYS 29 41.146 10.771 -29.089 217 1HB CYS 29 1HB CYS 29 41.429 9.060 -27.124 218 2HB CYS 29 2HB CYS 29 41.276 7.869 -28.410 219 H THR 30 H THR 30 41.694 10.473 -31.136 220 HA THR 30 HA THR 30 40.291 8.404 -32.692 221 HB THR 30 HB THR 30 40.557 11.299 -33.527 222 HG1 THR 30 HG1 THR 30 38.450 9.737 -32.511 223 1HG2 THR 30 1HG2 THR 30 39.385 8.922 -34.978 224 2HG2 THR 30 2HG2 THR 30 39.245 10.599 -35.504 225 3HG2 THR 30 3HG2 THR 30 40.830 9.826 -35.436 226 H CYS 31 H CYS 31 41.434 7.555 -34.408 227 HA CYS 31 HA CYS 31 44.250 8.370 -34.533 228 1HB CYS 31 1HB CYS 31 44.676 6.137 -35.494 229 2HB CYS 31 2HB CYS 31 43.950 6.052 -33.893 230 H LEU 32 H LEU 32 44.547 9.788 -36.082 231 HA LEU 32 HA LEU 32 42.964 9.827 -38.482 232 1HB LEU 32 1HB LEU 32 44.861 11.620 -39.031 233 2HB LEU 32 2HB LEU 32 43.487 11.978 -38.002 234 HG LEU 32 HG LEU 32 45.884 10.903 -36.638 235 1HD1 LEU 32 1HD1 LEU 32 46.375 12.810 -38.509 236 2HD1 LEU 32 2HD1 LEU 32 46.043 13.788 -37.078 237 3HD1 LEU 32 3HD1 LEU 32 47.316 12.566 -37.037 238 1HD2 LEU 32 1HD2 LEU 32 43.524 11.948 -35.822 239 2HD2 LEU 32 2HD2 LEU 32 44.995 11.937 -34.848 240 3HD2 LEU 32 3HD2 LEU 32 44.557 13.377 -35.767 241 H GLY 33 H GLY 33 46.367 10.466 -38.825 242 1HA GLY 33 1HA GLY 33 46.742 7.934 -40.266 243 2HA GLY 33 2HA GLY 33 47.038 9.446 -41.109 244 H ASN 34 H ASN 34 48.282 10.922 -39.152 245 HA ASN 34 HA ASN 34 50.915 9.795 -39.217 246 1HB ASN 34 1HB ASN 34 51.512 11.896 -37.936 247 2HB ASN 34 2HB ASN 34 50.758 12.160 -39.505 248 2HD2 ASN 34 1HD2 ASN 34 50.271 12.222 -36.047 249 1HD2 ASN 34 2HD2 ASN 34 48.878 13.244 -36.066 250 H GLY 35 H GLY 35 48.296 9.799 -37.018 251 1HA GLY 35 1HA GLY 35 49.395 7.914 -35.295 252 2HA GLY 35 2HA GLY 35 49.712 9.489 -34.582 253 H VAL 36 H VAL 36 48.368 9.342 -32.843 254 HA VAL 36 HA VAL 36 45.497 9.345 -33.454 255 HB VAL 36 HB VAL 36 46.796 7.812 -31.197 256 1HG1 VAL 36 1HG1 VAL 36 44.598 9.123 -30.732 257 2HG1 VAL 36 2HG1 VAL 36 43.853 7.856 -31.703 258 3HG1 VAL 36 3HG1 VAL 36 44.731 7.437 -30.233 259 1HG2 VAL 36 1HG2 VAL 36 45.674 7.090 -33.809 260 2HG2 VAL 36 2HG2 VAL 36 46.854 6.248 -32.806 261 3HG2 VAL 36 3HG2 VAL 36 45.133 6.093 -32.459 262 H SER 37 H SER 37 44.675 11.216 -32.836 263 HA SER 37 HA SER 37 45.838 12.560 -30.486 264 1HB SER 37 1HB SER 37 46.059 13.659 -32.814 265 2HB SER 37 2HB SER 37 44.334 13.995 -32.665 266 HG SER 37 HG SER 37 44.744 15.479 -31.219 267 H CYS 38 H CYS 38 44.546 12.847 -28.797 268 HA CYS 38 HA CYS 38 41.652 12.483 -29.185 269 1HB CYS 38 1HB CYS 38 42.562 12.315 -26.436 270 2HB CYS 38 2HB CYS 38 41.610 11.171 -27.354 271 H GLN 39 H GLN 39 40.243 13.980 -28.495 272 HA GLN 39 HA GLN 39 41.374 16.428 -27.313 273 1HB GLN 39 1HB GLN 39 39.454 15.962 -29.491 274 2HB GLN 39 2HB GLN 39 38.949 17.187 -28.336 275 1HG GLN 39 1HG GLN 39 40.736 18.573 -28.828 276 2HG GLN 39 2HG GLN 39 41.694 17.261 -29.512 277 2HE2 GLN 39 1HE2 GLN 39 38.435 18.554 -30.087 278 1HE2 GLN 39 2HE2 GLN 39 38.625 18.738 -31.794 279 H GLU 40 H GLU 40 40.773 16.867 -25.302 280 HA GLU 40 HA GLU 40 39.215 15.322 -23.692 281 1HB GLU 40 2HB GLU 40 40.588 17.709 -23.408 282 2HB GLU 40 1HB GLU 40 39.770 16.827 -22.130 283 1HG GLU 40 1HG GLU 40 38.659 19.103 -23.748 284 2HG GLU 40 2HG GLU 40 37.726 18.150 -22.595 285 H THR 41 H THR 41 37.223 14.634 -24.100 286 HA THR 41 HA THR 41 35.313 15.843 -25.695 287 HB THR 41 HB THR 41 35.389 13.473 -24.498 288 HG1 THR 41 HG1 THR 41 33.912 14.217 -26.166 289 1HG2 THR 41 1HG2 THR 41 34.798 14.840 -22.287 290 2HG2 THR 41 2HG2 THR 41 33.158 14.588 -22.888 291 3HG2 THR 41 3HG2 THR 41 34.202 13.204 -22.569 292 H ALA 42 H ALA 42 36.156 16.378 -22.384 293 HA ALA 42 HA ALA 42 35.712 18.157 -21.005 294 1HB ALA 42 1HB ALA 42 35.016 19.166 -23.517 295 2HB ALA 42 3HB ALA 42 35.270 20.075 -22.027 296 3HB ALA 42 2HB ALA 42 33.650 19.532 -22.463 297 H VAL 43 H VAL 43 34.739 16.960 -19.435 298 HA VAL 43 HA VAL 43 32.165 15.851 -19.565 299 HB VAL 43 HB VAL 43 32.291 15.604 -17.142 300 1HG1 VAL 43 1HG1 VAL 43 34.462 14.829 -18.948 301 2HG1 VAL 43 2HG1 VAL 43 34.873 14.747 -17.235 302 3HG1 VAL 43 3HG1 VAL 43 33.487 13.847 -17.854 303 1HG2 VAL 43 1HG2 VAL 43 34.711 17.393 -17.346 304 2HG2 VAL 43 2HG2 VAL 43 33.191 17.760 -16.531 305 3HG2 VAL 43 3HG2 VAL 43 34.241 16.489 -15.906 306 H THR 44 H THR 44 30.726 16.613 -17.411 307 HA THR 44 HA THR 44 30.377 19.345 -16.970 308 HB THR 44 HB THR 44 28.020 19.083 -18.429 309 HG1 THR 44 HG1 THR 44 29.184 17.326 -19.544 310 1HG2 THR 44 1HG2 THR 44 29.586 21.066 -18.036 311 2HG2 THR 44 2HG2 THR 44 30.475 20.493 -19.448 312 3HG2 THR 44 3HG2 THR 44 28.785 20.974 -19.605 313 H GLN 45 H GLN 45 28.224 19.843 -15.977 314 HA GLN 45 HA GLN 45 27.325 17.504 -14.464 315 1HB GLN 45 1HB GLN 45 26.525 19.026 -12.810 316 2HB GLN 45 2HB GLN 45 28.135 19.561 -13.271 317 1HG GLN 45 1HG GLN 45 27.334 21.413 -14.403 318 2HG GLN 45 2HG GLN 45 25.714 20.734 -14.571 319 2HE2 GLN 45 1HE2 GLN 45 24.335 20.717 -12.756 320 1HE2 GLN 45 2HE2 GLN 45 24.577 21.809 -11.439 321 H THR 46 H THR 46 24.888 17.914 -13.689 322 HA THR 46 HA THR 46 23.247 18.717 -15.975 323 HB THR 46 HB THR 46 21.837 16.629 -15.610 324 HG1 THR 46 HG1 THR 46 23.091 14.844 -14.741 325 1HG2 THR 46 1HG2 THR 46 23.917 17.135 -17.318 326 2HG2 THR 46 2HG2 THR 46 24.383 15.587 -16.611 327 3HG2 THR 46 3HG2 THR 46 22.828 15.752 -17.427 328 H TYR 47 H TYR 47 21.316 19.593 -15.445 329 HA TYR 47 HA TYR 47 20.331 19.335 -12.705 330 1HB TYR 47 1HB TYR 47 20.028 21.781 -12.518 331 2HB TYR 47 2HB TYR 47 21.725 21.332 -12.654 332 HD1 TYR 47 HD1 TYR 47 18.840 22.516 -14.688 333 HD2 TYR 47 HD2 TYR 47 23.069 22.337 -14.275 334 HE1 TYR 47 HE1 TYR 47 19.084 24.058 -16.588 335 HE2 TYR 47 HE2 TYR 47 23.327 23.876 -16.173 336 HH TYR 47 HH TYR 47 21.648 24.434 -18.333 337 H GLY 48 H GLY 48 18.124 19.529 -12.499 338 1HA GLY 48 1HA GLY 48 15.975 19.182 -13.278 339 2HA GLY 48 2HA GLY 48 16.264 20.738 -14.043 340 H GLY 49 H GLY 49 15.945 20.793 -16.159 341 1HA GLY 49 1HA GLY 49 15.960 20.150 -18.374 342 2HA GLY 49 2HA GLY 49 16.896 18.737 -17.909 343 H ASN 50 H ASN 50 15.910 16.940 -18.523 344 HA ASN 50 HA ASN 50 12.970 16.837 -18.397 345 1HB ASN 50 1HB ASN 50 14.768 16.162 -20.475 346 2HB ASN 50 2HB ASN 50 14.091 14.649 -19.882 347 2HD2 ASN 50 1HD2 ASN 50 12.189 14.056 -20.642 348 1HD2 ASN 50 2HD2 ASN 50 11.067 15.078 -21.468 349 H SER 51 H SER 51 15.866 15.554 -17.117 350 HA SER 51 HA SER 51 14.305 13.632 -15.545 351 1HB SER 51 1HB SER 51 16.927 13.016 -16.927 352 2HB SER 51 2HB SER 51 16.142 11.965 -15.749 353 HG SER 51 HG SER 51 14.299 11.990 -17.217 354 H ASN 52 H ASN 52 15.166 16.206 -14.785 355 HA ASN 52 HA ASN 52 16.359 17.345 -13.204 356 1HB ASN 52 1HB ASN 52 14.954 15.867 -11.810 357 2HB ASN 52 2HB ASN 52 16.228 14.651 -11.830 358 2HD2 ASN 52 1HD2 ASN 52 15.861 14.991 -9.460 359 1HD2 ASN 52 2HD2 ASN 52 16.828 16.192 -8.681 360 H GLY 53 H GLY 53 17.901 15.818 -15.274 361 1HA GLY 53 1HA GLY 53 20.166 15.789 -15.766 362 2HA GLY 53 2HA GLY 53 20.500 16.261 -14.108 363 H GLU 54 H GLU 54 19.113 13.447 -15.814 364 HA GLU 54 HA GLU 54 20.321 11.667 -13.864 365 1HB GLU 54 1HB GLU 54 18.347 11.360 -16.080 366 2HB GLU 54 2HB GLU 54 19.219 9.941 -15.531 367 1HG GLU 54 2HG GLU 54 17.275 9.899 -14.282 368 2HG GLU 54 1HG GLU 54 17.270 11.645 -14.044 369 HA PRO 55 HA PRO 55 23.889 10.165 -15.926 370 1HB PRO 55 1HB PRO 55 22.523 7.554 -16.388 371 2HB PRO 55 2HB PRO 55 24.095 7.886 -15.653 372 1HG PRO 55 1HG PRO 55 22.000 7.244 -14.142 373 2HG PRO 55 2HG PRO 55 23.165 8.471 -13.610 374 1HD PRO 55 1HD PRO 55 20.407 8.817 -14.689 375 2HD PRO 55 2HD PRO 55 21.272 9.770 -13.467 376 H CYS 56 H CYS 56 24.154 11.144 -17.859 377 HA CYS 56 HA CYS 56 22.457 11.063 -20.052 378 1HB CYS 56 1HB CYS 56 25.462 11.418 -20.017 379 2HB CYS 56 2HB CYS 56 24.416 11.811 -21.376 380 H VAL 57 H VAL 57 23.863 10.276 -22.274 381 HA VAL 57 HA VAL 57 24.659 7.508 -21.956 382 HB VAL 57 HB VAL 57 22.081 7.655 -22.178 383 1HG1 VAL 57 1HG1 VAL 57 22.608 9.182 -24.339 384 2HG1 VAL 57 2HG1 VAL 57 22.431 7.602 -25.099 385 3HG1 VAL 57 3HG1 VAL 57 21.119 8.261 -24.120 386 1HG2 VAL 57 1HG2 VAL 57 23.611 5.635 -22.440 387 2HG2 VAL 57 2HG2 VAL 57 22.024 5.541 -23.204 388 3HG2 VAL 57 3HG2 VAL 57 23.453 5.883 -24.179 389 H LEU 58 H LEU 58 26.134 9.702 -22.786 390 HA LEU 58 HA LEU 58 26.275 9.563 -25.696 391 1HB LEU 58 1HB LEU 58 28.055 11.335 -25.373 392 2HB LEU 58 2HB LEU 58 26.420 11.776 -24.920 393 HG LEU 58 HG LEU 58 28.389 12.448 -23.381 394 1HD1 LEU 58 1HD1 LEU 58 25.669 11.857 -22.931 395 2HD1 LEU 58 2HD1 LEU 58 26.568 11.289 -21.524 396 3HD1 LEU 58 3HD1 LEU 58 26.709 12.970 -22.041 397 1HD2 LEU 58 1HD2 LEU 58 29.316 10.110 -23.361 398 2HD2 LEU 58 2HD2 LEU 58 29.108 10.859 -21.778 399 3HD2 LEU 58 3HD2 LEU 58 27.946 9.660 -22.345 400 HA PRO 59 HA PRO 59 28.198 10.476 -27.014 401 1HB PRO 59 1HB PRO 59 29.094 9.116 -29.182 402 2HB PRO 59 2HB PRO 59 30.167 10.017 -28.105 403 1HG PRO 59 2HG PRO 59 31.146 7.914 -27.979 404 2HG PRO 59 1HG PRO 59 29.594 7.081 -28.185 405 1HD PRO 59 1HD PRO 59 29.766 6.858 -25.899 406 2HD PRO 59 2HD PRO 59 30.783 8.304 -25.738 407 H PHE 60 H PHE 60 26.275 10.728 -27.939 408 HA PHE 60 HA PHE 60 24.754 8.318 -28.692 409 1HB PHE 60 1HB PHE 60 22.743 9.903 -28.385 410 2HB PHE 60 2HB PHE 60 23.556 9.317 -26.937 411 HD1 PHE 60 HD1 PHE 60 23.667 12.180 -29.320 412 HD2 PHE 60 HD2 PHE 60 24.126 10.837 -25.308 413 HE1 PHE 60 HE1 PHE 60 24.023 14.501 -28.588 414 HE2 PHE 60 HE2 PHE 60 24.480 13.157 -24.568 415 HZ PHE 60 HZ PHE 60 24.429 14.993 -26.209 416 H THR 61 H THR 61 22.803 9.218 -30.216 417 HA THR 61 HA THR 61 24.070 10.783 -32.366 418 HB THR 61 HB THR 61 22.132 8.702 -33.189 419 HG1 THR 61 HG1 THR 61 23.225 7.145 -32.267 420 1HG2 THR 61 1HG2 THR 61 23.275 10.196 -34.783 421 2HG2 THR 61 2HG2 THR 61 24.829 9.546 -34.259 422 3HG2 THR 61 3HG2 THR 61 23.665 8.500 -35.071 423 H TYR 62 H TYR 62 22.904 12.476 -32.996 424 HA TYR 62 HA TYR 62 19.994 12.376 -32.872 425 1HB TYR 62 1HB TYR 62 20.513 13.286 -30.704 426 2HB TYR 62 2HB TYR 62 21.649 14.434 -31.404 427 HD1 TYR 62 HD1 TYR 62 18.039 13.491 -31.586 428 HD2 TYR 62 HD2 TYR 62 20.936 16.599 -31.802 429 HE1 TYR 62 HE1 TYR 62 16.235 15.152 -31.777 430 HE2 TYR 62 HE2 TYR 62 19.140 18.267 -31.992 431 HH TYR 62 HH TYR 62 15.967 17.481 -32.701 432 H ASN 63 H ASN 63 19.050 13.439 -34.508 433 HA ASN 63 HA ASN 63 18.764 14.730 -36.358 434 1HB ASN 63 1HB ASN 63 20.561 16.239 -34.718 435 2HB ASN 63 2HB ASN 63 21.048 16.411 -36.400 436 2HD2 ASN 63 1HD2 ASN 63 20.077 18.515 -34.878 437 1HD2 ASN 63 2HD2 ASN 63 18.554 19.012 -35.520 438 H GLY 64 H GLY 64 21.042 12.512 -35.957 439 1HA GLY 64 1HA GLY 64 21.757 11.217 -37.855 440 2HA GLY 64 2HA GLY 64 21.901 12.712 -38.766 441 H ARG 65 H ARG 65 23.171 13.644 -35.991 442 HA ARG 65 HA ARG 65 25.876 12.818 -36.793 443 1HB ARG 65 2HB ARG 65 25.341 15.263 -36.816 444 2HB ARG 65 1HB ARG 65 26.706 14.828 -35.797 445 1HG ARG 65 1HG ARG 65 24.019 15.001 -34.545 446 2HG ARG 65 2HG ARG 65 25.609 15.339 -33.865 447 1HD ARG 65 2HD ARG 65 25.688 17.327 -35.453 448 2HD ARG 65 1HD ARG 65 24.593 17.439 -34.075 449 HE ARG 65 HE ARG 65 22.962 16.492 -35.948 450 1HH1 ARG 65 1HH1 ARG 65 25.296 19.074 -36.066 451 2HH1 ARG 65 2HH1 ARG 65 24.424 19.982 -37.256 452 1HH2 ARG 65 1HH2 ARG 65 21.807 17.684 -37.523 453 2HH2 ARG 65 2HH2 ARG 65 22.443 19.194 -38.082 454 H THR 66 H THR 66 27.220 13.549 -34.468 455 HA THR 66 HA THR 66 26.071 11.909 -32.337 456 HB THR 66 HB THR 66 28.869 11.445 -33.386 457 HG1 THR 66 HG1 THR 66 27.873 10.179 -34.758 458 1HG2 THR 66 1HG2 THR 66 27.709 10.907 -30.881 459 2HG2 THR 66 2HG2 THR 66 27.796 9.363 -31.728 460 3HG2 THR 66 3HG2 THR 66 29.255 10.328 -31.499 461 H PHE 67 H PHE 67 26.798 12.413 -30.277 462 HA PHE 67 HA PHE 67 28.757 14.589 -30.049 463 1HB PHE 67 1HB PHE 67 26.331 14.587 -28.291 464 2HB PHE 67 2HB PHE 67 27.381 15.927 -28.739 465 HD1 PHE 67 HD1 PHE 67 25.109 13.472 -30.396 466 HD2 PHE 67 HD2 PHE 67 26.519 17.481 -30.181 467 HE1 PHE 67 HE1 PHE 67 23.518 14.121 -32.156 468 HE2 PHE 67 HE2 PHE 67 24.929 18.139 -31.941 469 HZ PHE 67 HZ PHE 67 23.428 16.456 -32.931 470 H TYR 68 H TYR 68 30.275 14.200 -28.579 471 HA TYR 68 HA TYR 68 29.977 11.893 -26.824 472 1HB TYR 68 1HB TYR 68 32.353 13.619 -27.536 473 2HB TYR 68 2HB TYR 68 32.423 12.301 -26.370 474 HD1 TYR 68 HD1 TYR 68 31.506 13.005 -29.917 475 HD2 TYR 68 HD2 TYR 68 32.928 10.151 -27.100 476 HE1 TYR 68 HE1 TYR 68 31.926 11.418 -31.746 477 HE2 TYR 68 HE2 TYR 68 33.352 8.556 -28.923 478 HH TYR 68 HH TYR 68 32.527 9.342 -32.283 479 H SER 69 H SER 69 28.366 14.050 -26.138 480 HA SER 69 HA SER 69 28.506 14.297 -23.482 481 1HB SER 69 1HB SER 69 30.564 16.042 -24.733 482 2HB SER 69 2HB SER 69 29.634 16.730 -23.401 483 HG SER 69 HG SER 69 30.395 14.240 -22.772 484 H CYS 70 H CYS 70 27.772 16.752 -22.743 485 HA CYS 70 HA CYS 70 25.213 17.093 -23.614 486 1HB CYS 70 2HB CYS 70 25.316 19.355 -22.686 487 2HB CYS 70 1HB CYS 70 27.072 19.295 -22.698 488 H THR 71 H THR 71 24.360 19.155 -24.744 489 HA THR 71 HA THR 71 25.850 20.447 -26.733 490 HB THR 71 HB THR 71 25.864 18.060 -27.639 491 HG1 THR 71 HG1 THR 71 24.603 19.593 -29.572 492 1HG2 THR 71 1HG2 THR 71 23.258 17.992 -27.058 493 2HG2 THR 71 2HG2 THR 71 23.148 18.570 -28.721 494 3HG2 THR 71 3HG2 THR 71 23.959 17.043 -28.370 495 H THR 72 H THR 72 24.625 21.906 -27.942 496 HA THR 72 HA THR 72 21.814 22.123 -27.096 497 HB THR 72 HB THR 72 22.463 24.635 -27.987 498 HG1 THR 72 HG1 THR 72 24.485 25.130 -27.126 499 1HG2 THR 72 1HG2 THR 72 22.226 23.325 -25.337 500 2HG2 THR 72 2HG2 THR 72 22.907 24.951 -25.367 501 3HG2 THR 72 3HG2 THR 72 21.295 24.656 -26.024 502 H GLU 73 H GLU 73 21.542 20.618 -28.999 503 HA GLU 73 HA GLU 73 21.595 22.044 -31.564 504 1HB GLU 73 1HB GLU 73 21.994 19.261 -30.770 505 2HB GLU 73 2HB GLU 73 20.886 19.436 -32.123 506 1HG GLU 73 1HG GLU 73 23.585 20.744 -32.073 507 2HG GLU 73 2HG GLU 73 23.329 19.109 -32.678 508 H GLY 74 H GLY 74 19.501 19.922 -29.635 509 1HA GLY 74 1HA GLY 74 17.184 21.219 -30.923 510 2HA GLY 74 2HA GLY 74 17.222 19.494 -30.608 511 H ARG 75 H ARG 75 17.322 22.650 -29.038 512 HA ARG 75 HA ARG 75 15.910 21.466 -26.750 513 1HB ARG 75 1HB ARG 75 17.134 22.956 -25.233 514 2HB ARG 75 2HB ARG 75 18.223 21.878 -26.090 515 1HG ARG 75 1HG ARG 75 17.786 24.497 -27.356 516 2HG ARG 75 2HG ARG 75 18.626 24.521 -25.808 517 1HD ARG 75 1HD ARG 75 20.357 23.171 -26.602 518 2HD ARG 75 2HD ARG 75 19.432 22.641 -27.998 519 HE ARG 75 HE ARG 75 20.752 25.241 -27.671 520 1HH1 ARG 75 1HH1 ARG 75 18.989 23.019 -29.707 521 2HH1 ARG 75 2HH1 ARG 75 19.336 23.889 -31.160 522 1HH2 ARG 75 1HH2 ARG 75 21.199 26.381 -29.577 523 2HH2 ARG 75 2HH2 ARG 75 20.587 25.795 -31.088 524 H GLN 76 H GLN 76 15.555 23.900 -25.343 525 HA GLN 76 HA GLN 76 13.533 25.121 -27.065 526 1HB GLN 76 1HB GLN 76 13.947 25.052 -24.087 527 2HB GLN 76 2HB GLN 76 12.807 26.163 -24.834 528 1HG GLN 76 1HG GLN 76 12.174 23.732 -25.967 529 2HG GLN 76 2HG GLN 76 12.562 23.326 -24.296 530 2HE2 GLN 76 1HE2 GLN 76 10.096 22.829 -24.889 531 1HE2 GLN 76 2HE2 GLN 76 9.003 24.029 -24.301 532 H ASP 77 H ASP 77 15.383 26.529 -24.382 533 HA ASP 77 HA ASP 77 15.599 29.021 -25.819 534 1HB ASP 77 1HB ASP 77 15.107 28.966 -23.394 535 2HB ASP 77 2HB ASP 77 16.690 28.251 -23.106 536 H GLY 78 H GLY 78 17.699 26.381 -24.851 537 1HA GLY 78 1HA GLY 78 19.538 26.036 -26.529 538 2HA GLY 78 2HA GLY 78 19.914 27.727 -26.255 539 H HIS 79 H HIS 79 19.070 25.198 -23.934 540 HA HIS 79 HA HIS 79 21.538 25.810 -22.477 541 1HB HIS 79 1HB HIS 79 19.778 23.958 -21.119 542 2HB HIS 79 2HB HIS 79 20.348 25.538 -20.597 543 HD1 HIS 79 HD1 HIS 79 17.662 24.129 -22.900 544 HD2 HIS 79 HD2 HIS 79 18.360 27.363 -20.385 545 HE1 HIS 79 HE1 HIS 79 15.512 25.431 -22.868 546 HE2 HIS 79 HE2 HIS 79 15.929 27.336 -21.271 547 H LEU 80 H LEU 80 23.176 24.395 -22.359 548 HA LEU 80 HA LEU 80 23.525 22.262 -24.010 549 1HB LEU 80 1HB LEU 80 24.693 23.014 -21.380 550 2HB LEU 80 2HB LEU 80 25.006 21.393 -21.964 551 HG LEU 80 HG LEU 80 26.106 22.220 -23.924 552 1HD1 LEU 80 1HD1 LEU 80 25.220 24.947 -22.998 553 2HD1 LEU 80 2HD1 LEU 80 26.386 24.658 -24.290 554 3HD1 LEU 80 3HD1 LEU 80 24.721 24.102 -24.464 555 1HD2 LEU 80 1HD2 LEU 80 26.987 23.729 -21.466 556 2HD2 LEU 80 2HD2 LEU 80 27.480 22.101 -21.935 557 3HD2 LEU 80 3HD2 LEU 80 27.962 23.486 -22.914 558 H TRP 81 H TRP 81 22.523 20.381 -24.244 559 HA TRP 81 HA TRP 81 21.392 19.080 -21.859 560 1HB TRP 81 2HB TRP 81 19.599 20.153 -23.176 561 2HB TRP 81 1HB TRP 81 19.444 18.399 -23.162 562 HD1 TRP 81 HD1 TRP 81 19.914 21.327 -25.504 563 HE1 TRP 81 HE1 TRP 81 19.918 20.482 -27.930 564 HE3 TRP 81 HE3 TRP 81 20.154 16.294 -24.618 565 HZ2 TRP 81 HZ2 TRP 81 20.007 18.014 -29.296 566 HZ3 TRP 81 HZ3 TRP 81 20.195 14.761 -26.542 567 HH2 TRP 81 HH2 TRP 81 20.122 15.605 -28.833 568 H CYS 82 H CYS 82 21.162 16.776 -22.006 569 HA CYS 82 HA CYS 82 22.808 15.510 -24.089 570 1HB CYS 82 1HB CYS 82 24.025 14.244 -22.561 571 2HB CYS 82 2HB CYS 82 23.904 15.797 -21.741 572 H SER 83 H SER 83 22.505 12.922 -23.642 573 HA SER 83 HA SER 83 19.590 12.512 -23.494 574 1HB SER 83 1HB SER 83 20.134 12.197 -25.771 575 2HB SER 83 2HB SER 83 21.619 11.331 -25.384 576 HG SER 83 HG SER 83 20.397 9.641 -25.676 577 H THR 84 H THR 84 19.118 11.463 -21.685 578 HA THR 84 HA THR 84 21.007 9.846 -20.283 579 HB THR 84 HB THR 84 19.410 9.608 -18.609 580 HG1 THR 84 HG1 THR 84 17.382 9.143 -19.034 581 1HG2 THR 84 1HG2 THR 84 19.967 11.995 -19.059 582 2HG2 THR 84 2HG2 THR 84 18.491 12.116 -20.017 583 3HG2 THR 84 3HG2 THR 84 18.396 11.769 -18.291 584 H THR 85 H THR 85 18.930 9.266 -22.883 585 HA THR 85 HA THR 85 19.422 6.393 -22.676 586 HB THR 85 HB THR 85 16.695 7.634 -23.039 587 HG1 THR 85 HG1 THR 85 16.639 7.069 -21.002 588 1HG2 THR 85 1HG2 THR 85 17.714 4.948 -23.871 589 2HG2 THR 85 2HG2 THR 85 16.056 5.113 -23.295 590 3HG2 THR 85 3HG2 THR 85 16.594 6.030 -24.702 591 H SER 86 H SER 86 20.127 5.586 -24.542 592 HA SER 86 HA SER 86 20.837 7.004 -26.741 593 1HB SER 86 1HB SER 86 21.641 4.971 -27.238 594 2HB SER 86 2HB SER 86 20.520 4.213 -26.107 595 HG SER 86 HG SER 86 20.271 4.630 -28.862 596 H ASN 87 H ASN 87 17.715 5.422 -26.212 597 HA ASN 87 HA ASN 87 16.663 6.363 -28.735 598 1HB ASN 87 1HB ASN 87 15.993 4.328 -26.898 599 2HB ASN 87 2HB ASN 87 14.621 5.424 -26.947 600 2HD2 ASN 87 1HD2 ASN 87 13.795 3.268 -27.817 601 1HD2 ASN 87 2HD2 ASN 87 13.816 3.099 -29.536 602 H TYR 88 H TYR 88 17.487 8.569 -27.375 603 HA TYR 88 HA TYR 88 15.469 9.727 -25.747 604 1HB TYR 88 1HB TYR 88 17.464 10.827 -25.420 605 2HB TYR 88 2HB TYR 88 17.939 10.693 -27.109 606 HD1 TYR 88 HD1 TYR 88 15.751 12.551 -24.770 607 HD2 TYR 88 HD2 TYR 88 17.541 12.459 -28.625 608 HE1 TYR 88 HE1 TYR 88 15.050 14.877 -25.143 609 HE2 TYR 88 HE2 TYR 88 16.846 14.786 -29.011 610 HH TYR 88 HH TYR 88 16.156 16.716 -27.874 611 H GLU 89 H GLU 89 16.001 9.429 -29.145 612 HA GLU 89 HA GLU 89 14.293 11.515 -30.002 613 1HB GLU 89 1HB GLU 89 15.166 8.992 -31.420 614 2HB GLU 89 2HB GLU 89 14.337 10.338 -32.191 615 1HG GLU 89 1HG GLU 89 16.254 11.385 -32.513 616 2HG GLU 89 2HG GLU 89 16.620 11.323 -30.790 617 H GLN 90 H GLN 90 13.687 8.534 -28.545 618 HA GLN 90 HA GLN 90 10.887 8.601 -29.467 619 1HB GLN 90 2HB GLN 90 10.838 6.346 -29.710 620 2HB GLN 90 1HB GLN 90 11.916 6.071 -28.346 621 1HG GLN 90 1HG GLN 90 12.778 7.041 -31.059 622 2HG GLN 90 2HG GLN 90 13.826 6.656 -29.693 623 2HE2 GLN 90 1HE2 GLN 90 14.345 5.434 -32.010 624 1HE2 GLN 90 2HE2 GLN 90 13.873 3.773 -31.965 625 H ASP 91 H ASP 91 13.053 7.890 -26.774 626 HA ASP 91 HA ASP 91 10.896 7.728 -24.868 627 1HB ASP 91 1HB ASP 91 13.569 6.898 -24.919 628 2HB ASP 91 2HB ASP 91 13.514 8.162 -23.692 629 H GLN 92 H GLN 92 13.154 10.116 -26.030 630 HA GLN 92 HA GLN 92 13.279 12.369 -25.742 631 1HB GLN 92 1HB GLN 92 10.509 11.774 -24.813 632 2HB GLN 92 2HB GLN 92 11.172 13.368 -24.477 633 1HG GLN 92 1HG GLN 92 11.044 12.128 -27.215 634 2HG GLN 92 2HG GLN 92 9.838 13.236 -26.561 635 2HE2 GLN 92 1HE2 GLN 92 10.588 14.313 -28.634 636 1HE2 GLN 92 2HE2 GLN 92 11.879 15.451 -28.483 637 H LYS 93 H LYS 93 14.413 10.580 -23.776 638 HA LYS 93 HA LYS 93 14.081 12.029 -21.257 639 1HB LYS 93 1HB LYS 93 15.300 9.400 -22.019 640 2HB LYS 93 2HB LYS 93 15.782 10.177 -20.517 641 1HG LYS 93 1HG LYS 93 13.839 8.446 -20.539 642 2HG LYS 93 2HG LYS 93 13.722 9.902 -19.549 643 1HD LYS 93 1HD LYS 93 12.327 10.975 -21.164 644 2HD LYS 93 2HD LYS 93 12.604 9.687 -22.336 645 1HE LYS 93 1HE LYS 93 10.688 8.818 -21.578 646 2HE LYS 93 2HE LYS 93 11.629 8.316 -20.175 647 1HZ LYS 93 1HZ LYS 93 10.429 11.001 -20.235 648 2HZ LYS 93 2HZ LYS 93 9.464 9.667 -19.850 649 3HZ LYS 93 3HZ LYS 93 10.817 10.031 -18.904 650 H TYR 94 H TYR 94 15.149 13.943 -21.575 651 HA TYR 94 HA TYR 94 18.046 13.731 -22.073 652 1HB TYR 94 1HB TYR 94 18.032 15.656 -23.380 653 2HB TYR 94 2HB TYR 94 16.530 14.871 -23.850 654 HD1 TYR 94 HD1 TYR 94 17.862 17.448 -21.510 655 HD2 TYR 94 HD2 TYR 94 14.529 16.056 -23.759 656 HE1 TYR 94 HE1 TYR 94 16.619 19.485 -20.918 657 HE2 TYR 94 HE2 TYR 94 13.276 18.088 -23.172 658 HH TYR 94 HH TYR 94 14.350 20.733 -22.328 659 H SER 95 H SER 95 19.331 15.486 -21.147 660 HA SER 95 HA SER 95 18.164 16.633 -18.703 661 1HB SER 95 1HB SER 95 20.887 16.176 -18.164 662 2HB SER 95 2HB SER 95 19.508 15.331 -17.460 663 HG SER 95 HG SER 95 21.047 13.931 -18.487 664 H PHE 96 H PHE 96 19.895 18.311 -17.788 665 HA PHE 96 HA PHE 96 20.714 19.941 -20.100 666 1HB PHE 96 1HB PHE 96 19.501 20.637 -17.475 667 2HB PHE 96 2HB PHE 96 20.638 21.780 -18.177 668 HD1 PHE 96 HD1 PHE 96 20.007 21.382 -21.065 669 HD2 PHE 96 HD2 PHE 96 17.472 21.780 -17.670 670 HE1 PHE 96 HE1 PHE 96 18.225 22.275 -22.506 671 HE2 PHE 96 HE2 PHE 96 15.684 22.674 -19.106 672 HZ PHE 96 HZ PHE 96 16.061 22.921 -21.527 673 H CYS 97 H CYS 97 22.387 21.694 -19.224 674 HA CYS 97 HA CYS 97 24.344 20.658 -17.389 675 1HB CYS 97 1HB CYS 97 25.366 21.081 -20.175 676 2HB CYS 97 2HB CYS 97 26.102 20.193 -18.849 677 H THR 98 H THR 98 25.408 22.306 -16.462 678 HA THR 98 HA THR 98 24.923 24.986 -17.494 679 HB THR 98 HB THR 98 24.543 24.948 -15.195 680 HG1 THR 98 HG1 THR 98 26.221 26.541 -15.969 681 1HG2 THR 98 1HG2 THR 98 26.828 23.050 -15.148 682 2HG2 THR 98 2HG2 THR 98 26.538 24.022 -13.704 683 3HG2 THR 98 3HG2 THR 98 25.270 22.967 -14.326 684 H ASP 99 H ASP 99 27.010 22.836 -18.423 685 HA ASP 99 HA ASP 99 29.009 22.936 -19.513 686 1HB ASP 99 1HB ASP 99 28.070 25.325 -20.036 687 2HB ASP 99 2HB ASP 99 29.297 25.854 -18.888 688 H HIS 100 H HIS 100 29.191 25.265 -16.813 689 HA HIS 100 HA HIS 100 30.567 25.392 -15.006 690 1HB HIS 100 1HB HIS 100 30.044 22.661 -15.321 691 2HB HIS 100 2HB HIS 100 31.789 22.766 -15.114 692 HD1 HIS 100 HD1 HIS 100 28.604 23.008 -13.280 693 HD2 HIS 100 HD2 HIS 100 32.603 23.919 -12.612 694 HE1 HIS 100 HE1 HIS 100 28.809 23.352 -10.798 695 HE2 HIS 100 HE2 HIS 100 31.220 23.979 -10.426 696 H THR 101 H THR 101 32.909 25.255 -14.350 697 HA THR 101 HA THR 101 34.930 24.708 -16.246 698 HB THR 101 HB THR 101 34.014 26.683 -17.391 699 HG1 THR 101 HG1 THR 101 36.194 26.484 -17.676 700 1HG2 THR 101 1HG2 THR 101 33.740 27.690 -14.778 701 2HG2 THR 101 2HG2 THR 101 34.934 28.712 -15.581 702 3HG2 THR 101 3HG2 THR 101 33.335 28.498 -16.293 No H/Q in entry = 702 Start of MODEL 25 1 H1 TYR 1 H1 TYR 1 46.154 -4.079 -42.019 2 H2 TYR 1 H2 TYR 1 47.033 -4.454 -43.416 3 H3 TYR 1 H3 TYR 1 47.820 -3.786 -42.074 4 HA TYR 1 HA TYR 1 47.540 -2.101 -43.737 5 1HB TYR 1 1HB TYR 1 44.892 -3.360 -43.852 6 2HB TYR 1 2HB TYR 1 44.833 -1.601 -43.866 7 HD1 TYR 1 HD1 TYR 1 46.200 -0.372 -45.627 8 HD2 TYR 1 HD2 TYR 1 45.454 -4.557 -45.789 9 HE1 TYR 1 HE1 TYR 1 46.748 -0.371 -48.023 10 HE2 TYR 1 HE2 TYR 1 46.000 -4.568 -48.187 11 HH TYR 1 HH TYR 1 47.647 -2.657 -49.707 12 H GLY 2 H GLY 2 48.057 -0.355 -42.596 13 1HA GLY 2 1HA GLY 2 48.164 1.072 -40.769 14 2HA GLY 2 2HA GLY 2 46.484 1.330 -41.215 15 H HIS 3 H HIS 3 44.890 0.629 -39.887 16 HA HIS 3 HA HIS 3 43.874 -0.153 -38.009 17 1HB HIS 3 1HB HIS 3 44.466 -2.363 -38.641 18 2HB HIS 3 2HB HIS 3 46.155 -2.116 -38.213 19 HD1 HIS 3 HD1 HIS 3 46.660 -3.513 -36.250 20 HD2 HIS 3 HD2 HIS 3 42.896 -1.772 -35.975 21 HE1 HIS 3 HE1 HIS 3 45.761 -4.211 -34.008 22 HE2 HIS 3 HE2 HIS 3 43.542 -3.039 -33.813 23 H CYS 4 H CYS 4 43.790 0.750 -36.054 24 HA CYS 4 HA CYS 4 46.322 1.566 -34.800 25 1HB CYS 4 1HB CYS 4 44.141 3.042 -33.724 26 2HB CYS 4 2HB CYS 4 45.482 3.625 -34.695 27 H VAL 5 H VAL 5 46.525 1.418 -32.546 28 HA VAL 5 HA VAL 5 44.438 0.014 -31.067 29 HB VAL 5 HB VAL 5 47.278 -1.013 -31.154 30 1HG1 VAL 5 1HG1 VAL 5 45.126 -1.353 -29.279 31 2HG1 VAL 5 2HG1 VAL 5 45.538 -2.897 -30.025 32 3HG1 VAL 5 3HG1 VAL 5 46.782 -1.954 -29.203 33 1HG2 VAL 5 1HG2 VAL 5 45.801 -1.419 -33.201 34 2HG2 VAL 5 2HG2 VAL 5 46.544 -2.828 -32.443 35 3HG2 VAL 5 3HG2 VAL 5 44.843 -2.463 -32.149 36 H THR 6 H THR 6 44.201 0.864 -29.109 37 HA THR 6 HA THR 6 45.628 3.056 -28.184 38 HB THR 6 HB THR 6 44.677 2.107 -25.853 39 HG1 THR 6 HG1 THR 6 42.540 1.136 -27.026 40 1HG2 THR 6 1HG2 THR 6 43.414 3.579 -28.108 41 2HG2 THR 6 2HG2 THR 6 42.390 3.092 -26.759 42 3HG2 THR 6 3HG2 THR 6 43.790 4.126 -26.474 43 H ASP 7 H ASP 7 45.741 -0.233 -26.813 44 HA ASP 7 HA ASP 7 48.326 -0.844 -26.754 45 1HB ASP 7 1HB ASP 7 49.119 1.197 -25.889 46 2HB ASP 7 2HB ASP 7 47.829 1.295 -24.695 47 H SER 8 H SER 8 45.370 -0.643 -25.034 48 HA SER 8 HA SER 8 46.014 -2.655 -23.074 49 1HB SER 8 1HB SER 8 43.575 -1.073 -23.801 50 2HB SER 8 2HB SER 8 43.408 -2.507 -22.788 51 HG SER 8 HG SER 8 43.739 -0.833 -21.403 52 H GLY 9 H GLY 9 44.889 -2.566 -26.304 53 1HA GLY 9 1HA GLY 9 45.150 -4.938 -27.260 54 2HA GLY 9 2HA GLY 9 43.873 -5.321 -26.115 55 H VAL 10 H VAL 10 42.884 -2.438 -26.767 56 HA VAL 10 HA VAL 10 40.745 -3.084 -28.366 57 HB VAL 10 HB VAL 10 42.114 -0.394 -28.213 58 1HG1 VAL 10 1HG1 VAL 10 39.392 -1.218 -29.194 59 2HG1 VAL 10 2HG1 VAL 10 39.790 0.440 -28.743 60 3HG1 VAL 10 3HG1 VAL 10 40.648 -0.342 -30.070 61 1HG2 VAL 10 1HG2 VAL 10 40.003 -1.702 -26.516 62 2HG2 VAL 10 2HG2 VAL 10 41.553 -1.031 -26.010 63 3HG2 VAL 10 3HG2 VAL 10 40.259 0.043 -26.540 64 H VAL 11 H VAL 11 40.228 -2.426 -30.584 65 HA VAL 11 HA VAL 11 42.581 -2.434 -32.353 66 HB VAL 11 HB VAL 11 40.027 -3.985 -32.803 67 1HG1 VAL 11 1HG1 VAL 11 41.564 -2.893 -34.738 68 2HG1 VAL 11 2HG1 VAL 11 42.374 -4.444 -34.519 69 3HG1 VAL 11 3HG1 VAL 11 40.659 -4.395 -34.927 70 1HG2 VAL 11 1HG2 VAL 11 41.555 -4.958 -31.107 71 2HG2 VAL 11 2HG2 VAL 11 41.363 -5.971 -32.538 72 3HG2 VAL 11 3HG2 VAL 11 42.825 -5.008 -32.331 73 H TYR 12 H TYR 12 42.330 -0.160 -32.530 74 HA TYR 12 HA TYR 12 39.885 0.884 -33.687 75 1HB TYR 12 1HB TYR 12 42.503 2.168 -32.899 76 2HB TYR 12 2HB TYR 12 41.202 3.056 -33.686 77 HD1 TYR 12 HD1 TYR 12 38.818 2.661 -32.489 78 HD2 TYR 12 HD2 TYR 12 42.620 2.327 -30.612 79 HE1 TYR 12 HE1 TYR 12 37.765 3.061 -30.302 80 HE2 TYR 12 HE2 TYR 12 41.579 2.726 -28.419 81 HH TYR 12 HH TYR 12 39.645 3.593 -27.428 82 H SER 13 H SER 13 39.957 2.204 -35.657 83 HA SER 13 HA SER 13 42.076 1.508 -37.535 84 1HB SER 13 1HB SER 13 39.148 0.908 -37.954 85 2HB SER 13 2HB SER 13 40.309 0.986 -39.279 86 HG SER 13 HG SER 13 40.167 -1.132 -38.616 87 H VAL 14 H VAL 14 42.743 3.249 -38.520 88 HA VAL 14 HA VAL 14 42.193 5.786 -38.212 89 HB VAL 14 HB VAL 14 43.883 5.308 -39.762 90 1HG1 VAL 14 1HG1 VAL 14 41.781 3.944 -41.434 91 2HG1 VAL 14 2HG1 VAL 14 43.436 4.244 -41.965 92 3HG1 VAL 14 3HG1 VAL 14 43.129 3.189 -40.586 93 1HG2 VAL 14 1HG2 VAL 14 42.244 7.313 -40.257 94 2HG2 VAL 14 2HG2 VAL 14 43.565 6.921 -41.358 95 3HG2 VAL 14 3HG2 VAL 14 41.924 6.389 -41.725 96 H GLY 15 H GLY 15 40.007 6.122 -37.638 97 1HA GLY 15 1HA GLY 15 38.270 7.532 -38.739 98 2HA GLY 15 2HA GLY 15 38.174 6.267 -39.950 99 H MET 16 H MET 16 38.443 5.781 -36.472 100 HA MET 16 HA MET 16 35.691 4.728 -36.482 101 1HB MET 16 1HB MET 16 38.044 3.267 -36.089 102 2HB MET 16 2HB MET 16 37.377 3.492 -34.477 103 1HG MET 16 1HG MET 16 35.153 2.725 -35.625 104 2HG MET 16 2HG MET 16 36.256 2.021 -36.806 105 1HE MET 16 1HE MET 16 38.450 0.997 -35.928 106 2HE MET 16 2HE MET 16 38.511 -0.192 -34.626 107 3HE MET 16 3HE MET 16 37.622 -0.550 -36.106 108 H GLN 17 H GLN 17 36.399 7.363 -35.804 109 HA GLN 17 HA GLN 17 36.969 8.450 -33.568 110 1HB GLN 17 1HB GLN 17 34.484 8.669 -35.115 111 2HB GLN 17 2HB GLN 17 34.356 9.262 -33.465 112 1HG GLN 17 1HG GLN 17 36.479 10.592 -33.975 113 2HG GLN 17 2HG GLN 17 36.148 10.218 -35.665 114 2HE2 GLN 17 1HE2 GLN 17 36.220 12.787 -35.054 115 1HE2 GLN 17 2HE2 GLN 17 34.638 13.479 -35.002 116 H TRP 18 H TRP 18 37.043 7.963 -31.484 117 HA TRP 18 HA TRP 18 34.750 6.651 -30.228 118 1HB TRP 18 1HB TRP 18 36.113 4.980 -29.145 119 2HB TRP 18 2HB TRP 18 36.382 4.881 -30.883 120 HD1 TRP 18 HD1 TRP 18 38.146 5.810 -27.625 121 HE1 TRP 18 HE1 TRP 18 40.664 6.022 -28.085 122 HE3 TRP 18 HE3 TRP 18 38.079 5.454 -32.725 123 HZ2 TRP 18 HZ2 TRP 18 42.398 6.045 -30.316 124 HZ3 TRP 18 HZ3 TRP 18 40.205 5.584 -33.948 125 HH2 TRP 18 HH2 TRP 18 42.323 5.875 -32.773 126 H LEU 19 H LEU 19 35.635 6.266 -27.742 127 HA LEU 19 HA LEU 19 36.850 8.765 -26.822 128 1HB LEU 19 1HB LEU 19 34.282 8.825 -26.813 129 2HB LEU 19 2HB LEU 19 34.381 7.658 -25.509 130 HG LEU 19 HG LEU 19 36.065 9.607 -24.607 131 1HD1 LEU 19 1HD1 LEU 19 34.937 10.856 -26.721 132 2HD1 LEU 19 2HD1 LEU 19 33.796 11.278 -25.445 133 3HD1 LEU 19 3HD1 LEU 19 35.504 11.680 -25.269 134 1HD2 LEU 19 1HD2 LEU 19 33.415 8.614 -24.038 135 2HD2 LEU 19 2HD2 LEU 19 34.676 9.157 -22.930 136 3HD2 LEU 19 3HD2 LEU 19 33.558 10.326 -23.635 137 H LYS 20 H LYS 20 38.456 8.299 -25.485 138 HA LYS 20 HA LYS 20 38.388 5.734 -24.056 139 1HB LYS 20 1HB LYS 20 40.916 6.168 -23.863 140 2HB LYS 20 2HB LYS 20 40.277 5.726 -25.433 141 1HG LYS 20 1HG LYS 20 41.838 7.467 -25.758 142 2HG LYS 20 2HG LYS 20 40.233 8.152 -26.010 143 1HD LYS 20 1HD LYS 20 41.536 9.692 -24.718 144 2HD LYS 20 2HD LYS 20 40.290 8.998 -23.683 145 1HE LYS 20 1HE LYS 20 41.935 8.539 -22.246 146 2HE LYS 20 2HE LYS 20 42.414 7.269 -23.371 147 1HZ LYS 20 1HZ LYS 20 43.440 9.804 -24.162 148 2HZ LYS 20 2HZ LYS 20 43.928 9.418 -22.591 149 3HZ LYS 20 3HZ LYS 20 44.266 8.358 -23.865 150 H THR 21 H THR 21 40.457 6.351 -22.210 151 HA THR 21 HA THR 21 39.639 8.663 -20.687 152 HB THR 21 HB THR 21 39.409 6.100 -19.174 153 HG1 THR 21 HG1 THR 21 37.417 7.182 -20.897 154 1HG2 THR 21 1HG2 THR 21 38.012 8.771 -18.994 155 2HG2 THR 21 2HG2 THR 21 37.790 7.421 -17.881 156 3HG2 THR 21 3HG2 THR 21 39.353 8.230 -17.985 157 H GLN 22 H GLN 22 40.981 9.042 -18.827 158 HA GLN 22 HA GLN 22 43.620 7.792 -19.110 159 1HB GLN 22 2HB GLN 22 44.519 9.755 -18.031 160 2HB GLN 22 1HB GLN 22 42.906 10.329 -17.632 161 1HG GLN 22 1HG GLN 22 43.426 9.866 -20.492 162 2HG GLN 22 2HG GLN 22 42.546 11.167 -19.689 163 2HE2 GLN 22 1HE2 GLN 22 45.644 10.033 -20.767 164 1HE2 GLN 22 2HE2 GLN 22 46.484 11.533 -20.594 165 H GLY 23 H GLY 23 41.065 7.005 -17.490 166 1HA GLY 23 1HA GLY 23 41.015 5.506 -15.676 167 2HA GLY 23 2HA GLY 23 42.585 6.110 -15.163 168 H ASN 24 H ASN 24 41.250 8.894 -15.663 169 HA ASN 24 HA ASN 24 39.615 8.996 -13.232 170 1HB ASN 24 1HB ASN 24 41.869 9.586 -12.521 171 2HB ASN 24 2HB ASN 24 41.985 10.787 -13.804 172 2HD2 ASN 24 1HD2 ASN 24 40.371 9.951 -10.810 173 1HD2 ASN 24 2HD2 ASN 24 39.895 11.559 -10.396 174 H LYS 25 H LYS 25 40.715 10.597 -16.178 175 HA LYS 25 HA LYS 25 38.211 12.151 -16.179 176 1HB LYS 25 2HB LYS 25 39.300 14.020 -16.825 177 2HB LYS 25 1HB LYS 25 40.386 13.138 -17.891 178 1HG LYS 25 1HG LYS 25 41.132 14.364 -15.596 179 2HG LYS 25 2HG LYS 25 40.865 12.714 -15.030 180 1HD LYS 25 1HD LYS 25 42.675 11.933 -16.102 181 2HD LYS 25 2HD LYS 25 42.330 12.871 -17.556 182 1HE LYS 25 1HE LYS 25 44.112 14.093 -16.984 183 2HE LYS 25 2HE LYS 25 43.062 14.808 -15.762 184 1HZ LYS 25 1HZ LYS 25 44.418 12.314 -15.076 185 2HZ LYS 25 2HZ LYS 25 45.366 13.713 -15.155 186 3HZ LYS 25 3HZ LYS 25 44.046 13.645 -14.101 187 H GLN 26 H GLN 26 37.332 12.635 -18.316 188 HA GLN 26 HA GLN 26 37.577 10.324 -20.070 189 1HB GLN 26 1HB GLN 26 35.499 12.320 -19.480 190 2HB GLN 26 2HB GLN 26 35.633 11.898 -21.181 191 1HG GLN 26 1HG GLN 26 35.411 9.516 -20.568 192 2HG GLN 26 2HG GLN 26 35.164 10.004 -18.892 193 2HE2 GLN 26 1HE2 GLN 26 33.322 8.509 -20.362 194 1HE2 GLN 26 2HE2 GLN 26 31.892 9.454 -20.576 195 H MET 27 H MET 27 38.105 10.456 -22.241 196 HA MET 27 HA MET 27 38.808 13.026 -23.391 197 1HB MET 27 1HB MET 27 40.752 11.839 -21.990 198 2HB MET 27 2HB MET 27 40.973 10.995 -23.517 199 1HG MET 27 1HG MET 27 40.818 13.546 -24.383 200 2HG MET 27 2HG MET 27 41.540 13.779 -22.791 201 1HE MET 27 1HE MET 27 43.928 13.869 -22.475 202 2HE MET 27 2HE MET 27 43.742 12.173 -22.030 203 3HE MET 27 3HE MET 27 45.066 12.668 -23.084 204 H LEU 28 H LEU 28 38.255 13.027 -25.470 205 HA LEU 28 HA LEU 28 37.453 10.557 -26.740 206 1HB LEU 28 1HB LEU 28 36.013 12.460 -27.025 207 2HB LEU 28 2HB LEU 28 37.340 13.442 -27.614 208 HG LEU 28 HG LEU 28 37.159 11.196 -29.328 209 1HD1 LEU 28 1HD1 LEU 28 34.501 12.478 -28.731 210 2HD1 LEU 28 2HD1 LEU 28 34.844 11.550 -30.190 211 3HD1 LEU 28 3HD1 LEU 28 34.923 10.771 -28.610 212 1HD2 LEU 28 1HD2 LEU 28 37.960 13.440 -29.907 213 2HD2 LEU 28 2HD2 LEU 28 36.696 12.893 -31.008 214 3HD2 LEU 28 3HD2 LEU 28 36.318 14.063 -29.744 215 H CYS 29 H CYS 29 38.605 9.443 -28.206 216 HA CYS 29 HA CYS 29 40.982 10.758 -29.329 217 1HB CYS 29 1HB CYS 29 41.333 9.004 -27.439 218 2HB CYS 29 2HB CYS 29 40.996 7.833 -28.708 219 H THR 30 H THR 30 41.437 10.460 -31.400 220 HA THR 30 HA THR 30 39.701 8.636 -32.938 221 HB THR 30 HB THR 30 40.501 11.461 -33.646 222 HG1 THR 30 HG1 THR 30 38.514 11.861 -33.056 223 1HG2 THR 30 1HG2 THR 30 39.281 9.315 -35.380 224 2HG2 THR 30 2HG2 THR 30 39.247 11.032 -35.778 225 3HG2 THR 30 3HG2 THR 30 40.791 10.187 -35.651 226 H CYS 31 H CYS 31 40.591 8.034 -35.056 227 HA CYS 31 HA CYS 31 43.532 7.867 -34.971 228 1HB CYS 31 1HB CYS 31 42.305 5.716 -34.668 229 2HB CYS 31 2HB CYS 31 41.597 5.932 -36.258 230 H LEU 32 H LEU 32 44.047 9.624 -36.225 231 HA LEU 32 HA LEU 32 42.707 10.147 -38.711 232 1HB LEU 32 1HB LEU 32 44.714 11.806 -38.909 233 2HB LEU 32 2HB LEU 32 43.417 12.110 -37.768 234 HG LEU 32 HG LEU 32 45.606 10.546 -36.623 235 1HD1 LEU 32 1HD1 LEU 32 46.399 12.578 -38.347 236 2HD1 LEU 32 2HD1 LEU 32 46.488 13.285 -36.733 237 3HD1 LEU 32 3HD1 LEU 32 47.369 11.801 -37.095 238 1HD2 LEU 32 1HD2 LEU 32 43.702 11.611 -35.403 239 2HD2 LEU 32 2HD2 LEU 32 45.298 12.038 -34.785 240 3HD2 LEU 32 3HD2 LEU 32 44.407 13.181 -35.789 241 H GLY 33 H GLY 33 46.114 10.556 -38.933 242 1HA GLY 33 1HA GLY 33 46.370 8.085 -40.503 243 2HA GLY 33 2HA GLY 33 46.748 9.622 -41.259 244 H ASN 34 H ASN 34 47.913 10.651 -38.704 245 HA ASN 34 HA ASN 34 50.560 9.549 -39.125 246 1HB ASN 34 1HB ASN 34 50.568 11.424 -36.976 247 2HB ASN 34 2HB ASN 34 51.227 11.615 -38.596 248 2HD2 ASN 34 1HD2 ASN 34 49.716 13.379 -36.639 249 1HD2 ASN 34 2HD2 ASN 34 48.469 14.089 -37.601 250 H GLY 35 H GLY 35 47.956 8.983 -37.063 251 1HA GLY 35 1HA GLY 35 48.991 6.843 -35.725 252 2HA GLY 35 2HA GLY 35 49.445 8.219 -34.730 253 H VAL 36 H VAL 36 48.034 8.904 -33.263 254 HA VAL 36 HA VAL 36 45.193 8.689 -33.684 255 HB VAL 36 HB VAL 36 46.602 6.916 -31.707 256 1HG1 VAL 36 1HG1 VAL 36 44.027 8.304 -31.365 257 2HG1 VAL 36 2HG1 VAL 36 44.018 6.572 -31.031 258 3HG1 VAL 36 3HG1 VAL 36 45.126 7.632 -30.161 259 1HG2 VAL 36 1HG2 VAL 36 44.385 6.486 -33.703 260 2HG2 VAL 36 2HG2 VAL 36 46.051 5.922 -33.830 261 3HG2 VAL 36 3HG2 VAL 36 44.989 5.259 -32.589 262 H SER 37 H SER 37 44.512 10.612 -33.043 263 HA SER 37 HA SER 37 45.811 11.900 -30.741 264 1HB SER 37 1HB SER 37 45.507 12.975 -33.160 265 2HB SER 37 2HB SER 37 43.927 13.399 -32.503 266 HG SER 37 HG SER 37 45.848 13.931 -30.702 267 H CYS 38 H CYS 38 44.326 13.277 -29.385 268 HA CYS 38 HA CYS 38 41.551 12.486 -29.280 269 1HB CYS 38 1HB CYS 38 42.686 12.007 -26.663 270 2HB CYS 38 2HB CYS 38 41.620 10.991 -27.602 271 H GLN 39 H GLN 39 40.303 13.982 -28.310 272 HA GLN 39 HA GLN 39 41.678 16.336 -27.231 273 1HB GLN 39 1HB GLN 39 39.699 16.129 -29.129 274 2HB GLN 39 2HB GLN 39 38.789 16.543 -27.682 275 1HG GLN 39 1HG GLN 39 40.068 18.539 -27.370 276 2HG GLN 39 2HG GLN 39 41.168 18.093 -28.673 277 2HE2 GLN 39 1HE2 GLN 39 39.882 17.570 -30.782 278 1HE2 GLN 39 2HE2 GLN 39 38.731 18.775 -31.237 279 H GLU 40 H GLU 40 41.524 16.882 -25.157 280 HA GLU 40 HA GLU 40 40.406 15.168 -23.244 281 1HB GLU 40 1HB GLU 40 41.202 16.649 -21.639 282 2HB GLU 40 2HB GLU 40 42.268 16.954 -23.005 283 1HG GLU 40 1HG GLU 40 40.507 18.798 -23.579 284 2HG GLU 40 2HG GLU 40 40.105 18.652 -21.869 285 H THR 41 H THR 41 38.325 14.809 -22.921 286 HA THR 41 HA THR 41 36.390 16.939 -23.434 287 HB THR 41 HB THR 41 36.255 14.353 -24.147 288 HG1 THR 41 HG1 THR 41 34.600 15.389 -24.961 289 1HG2 THR 41 1HG2 THR 41 36.148 13.726 -21.661 290 2HG2 THR 41 2HG2 THR 41 34.511 14.380 -21.694 291 3HG2 THR 41 3HG2 THR 41 34.936 13.016 -22.727 292 H ALA 42 H ALA 42 37.708 14.976 -20.881 293 HA ALA 42 HA ALA 42 37.817 15.497 -18.627 294 1HB ALA 42 3HB ALA 42 36.806 17.371 -17.707 295 2HB ALA 42 1HB ALA 42 37.068 17.855 -19.383 296 3HB ALA 42 2HB ALA 42 35.467 17.337 -18.854 297 H VAL 43 H VAL 43 34.368 15.919 -19.389 298 HA VAL 43 HA VAL 43 33.416 13.388 -19.032 299 HB VAL 43 HB VAL 43 32.566 13.829 -16.524 300 1HG1 VAL 43 1HG1 VAL 43 34.472 12.142 -17.808 301 2HG1 VAL 43 2HG1 VAL 43 35.060 12.554 -16.196 302 3HG1 VAL 43 3HG1 VAL 43 33.473 11.811 -16.393 303 1HG2 VAL 43 1HG2 VAL 43 34.443 15.812 -16.756 304 2HG2 VAL 43 2HG2 VAL 43 33.863 15.122 -15.240 305 3HG2 VAL 43 3HG2 VAL 43 35.348 14.516 -15.974 306 H THR 44 H THR 44 32.240 15.805 -16.785 307 HA THR 44 HA THR 44 30.560 17.297 -18.390 308 HB THR 44 HB THR 44 28.467 15.743 -17.354 309 HG1 THR 44 HG1 THR 44 28.906 13.689 -18.242 310 1HG2 THR 44 1HG2 THR 44 29.198 16.963 -19.739 311 2HG2 THR 44 2HG2 THR 44 29.005 15.262 -20.166 312 3HG2 THR 44 3HG2 THR 44 27.675 16.137 -19.408 313 H GLN 45 H GLN 45 29.614 18.870 -17.201 314 HA GLN 45 HA GLN 45 29.635 18.518 -14.276 315 1HB GLN 45 1HB GLN 45 29.980 21.036 -15.914 316 2HB GLN 45 2HB GLN 45 29.876 20.991 -14.158 317 1HG GLN 45 1HG GLN 45 31.994 19.630 -15.805 318 2HG GLN 45 2HG GLN 45 32.183 21.172 -14.970 319 2HE2 GLN 45 1HE2 GLN 45 31.085 20.787 -12.579 320 1HE2 GLN 45 2HE2 GLN 45 31.889 19.526 -11.712 321 H THR 46 H THR 46 27.440 17.514 -14.981 322 HA THR 46 HA THR 46 25.317 19.264 -15.694 323 HB THR 46 HB THR 46 23.825 17.444 -15.186 324 HG1 THR 46 HG1 THR 46 25.631 16.857 -13.324 325 1HG2 THR 46 1HG2 THR 46 25.713 17.313 -17.078 326 2HG2 THR 46 2HG2 THR 46 26.143 15.873 -16.157 327 3HG2 THR 46 3HG2 THR 46 24.520 16.036 -16.831 328 H TYR 47 H TYR 47 23.821 20.322 -14.435 329 HA TYR 47 HA TYR 47 24.365 20.345 -11.540 330 1HB TYR 47 1HB TYR 47 23.236 22.706 -11.771 331 2HB TYR 47 2HB TYR 47 24.941 22.492 -12.151 332 HD1 TYR 47 HD1 TYR 47 21.593 22.400 -13.803 333 HD2 TYR 47 HD2 TYR 47 25.734 23.306 -14.166 334 HE1 TYR 47 HE1 TYR 47 21.193 23.304 -16.054 335 HE2 TYR 47 HE2 TYR 47 25.345 24.213 -16.418 336 HH TYR 47 HH TYR 47 23.756 24.891 -17.881 337 H GLY 48 H GLY 48 21.881 20.383 -14.031 338 1HA GLY 48 1HA GLY 48 19.999 19.278 -12.119 339 2HA GLY 48 2HA GLY 48 19.563 20.848 -12.774 340 H GLY 49 H GLY 49 18.571 20.950 -14.707 341 1HA GLY 49 1HA GLY 49 17.646 20.269 -16.698 342 2HA GLY 49 2HA GLY 49 18.872 19.011 -16.757 343 H ASN 50 H ASN 50 16.956 17.867 -17.733 344 HA ASN 50 HA ASN 50 14.777 17.107 -16.085 345 1HB ASN 50 1HB ASN 50 15.695 16.573 -18.780 346 2HB ASN 50 2HB ASN 50 15.087 15.107 -18.016 347 2HD2 ASN 50 1HD2 ASN 50 12.979 15.514 -16.757 348 1HD2 ASN 50 2HD2 ASN 50 11.775 16.417 -17.605 349 H SER 51 H SER 51 17.995 16.281 -15.925 350 HA SER 51 HA SER 51 17.405 13.665 -14.712 351 1HB SER 51 1HB SER 51 19.570 14.611 -16.424 352 2HB SER 51 2HB SER 51 20.162 13.817 -14.965 353 HG SER 51 HG SER 51 18.128 12.660 -16.539 354 H ASN 52 H ASN 52 18.272 16.857 -14.044 355 HA ASN 52 HA ASN 52 18.725 17.943 -12.104 356 1HB ASN 52 1HB ASN 52 17.126 16.513 -11.006 357 2HB ASN 52 2HB ASN 52 18.299 15.204 -10.907 358 2HD2 ASN 52 1HD2 ASN 52 17.908 15.165 -8.647 359 1HD2 ASN 52 2HD2 ASN 52 18.656 16.322 -7.605 360 H GLY 53 H GLY 53 20.739 16.148 -13.702 361 1HA GLY 53 1HA GLY 53 23.107 16.772 -13.462 362 2HA GLY 53 2HA GLY 53 22.923 16.482 -11.740 363 H GLU 54 H GLU 54 21.166 14.074 -12.858 364 HA GLU 54 HA GLU 54 22.844 12.021 -12.217 365 1HB GLU 54 1HB GLU 54 20.691 11.966 -14.337 366 2HB GLU 54 2HB GLU 54 21.398 10.551 -13.571 367 1HG GLU 54 1HG GLU 54 20.324 10.919 -11.579 368 2HG GLU 54 2HG GLU 54 20.158 12.650 -11.863 369 HA PRO 55 HA PRO 55 25.879 11.334 -15.309 370 1HB PRO 55 2HB PRO 55 26.546 9.164 -15.093 371 2HB PRO 55 1HB PRO 55 24.992 8.537 -15.652 372 1HG PRO 55 1HG PRO 55 24.818 8.003 -13.405 373 2HG PRO 55 2HG PRO 55 25.828 9.372 -12.907 374 1HD PRO 55 1HD PRO 55 22.931 9.327 -13.659 375 2HD PRO 55 2HD PRO 55 23.750 10.241 -12.376 376 H CYS 56 H CYS 56 26.240 11.094 -17.534 377 HA CYS 56 HA CYS 56 23.815 11.230 -19.155 378 1HB CYS 56 1HB CYS 56 26.665 11.765 -20.003 379 2HB CYS 56 2HB CYS 56 25.198 12.191 -20.878 380 H VAL 57 H VAL 57 24.606 10.401 -21.601 381 HA VAL 57 HA VAL 57 25.721 7.717 -21.331 382 HB VAL 57 HB VAL 57 23.207 7.598 -21.011 383 1HG1 VAL 57 1HG1 VAL 57 23.195 9.207 -23.282 384 2HG1 VAL 57 2HG1 VAL 57 22.632 7.631 -23.839 385 3HG1 VAL 57 3HG1 VAL 57 21.803 8.445 -22.514 386 1HG2 VAL 57 1HG2 VAL 57 24.894 5.819 -22.012 387 2HG2 VAL 57 2HG2 VAL 57 23.160 5.511 -21.929 388 3HG2 VAL 57 3HG2 VAL 57 23.890 6.039 -23.445 389 H LEU 58 H LEU 58 27.155 9.550 -22.527 390 HA LEU 58 HA LEU 58 26.580 9.419 -25.401 391 1HB LEU 58 1HB LEU 58 28.820 10.977 -25.186 392 2HB LEU 58 2HB LEU 58 27.175 11.567 -25.301 393 HG LEU 58 HG LEU 58 28.398 12.689 -23.518 394 1HD1 LEU 58 1HD1 LEU 58 25.880 11.552 -23.338 395 2HD1 LEU 58 2HD1 LEU 58 26.643 11.175 -21.794 396 3HD1 LEU 58 3HD1 LEU 58 26.529 12.849 -22.334 397 1HD2 LEU 58 1HD2 LEU 58 29.069 9.920 -22.783 398 2HD2 LEU 58 2HD2 LEU 58 29.980 11.413 -22.553 399 3HD2 LEU 58 3HD2 LEU 58 28.679 10.993 -21.439 400 HA PRO 59 HA PRO 59 28.311 10.369 -26.987 401 1HB PRO 59 1HB PRO 59 28.848 9.178 -29.351 402 2HB PRO 59 2HB PRO 59 30.107 9.926 -28.361 403 1HG PRO 59 1HG PRO 59 29.357 7.038 -28.606 404 2HG PRO 59 2HG PRO 59 30.968 7.774 -28.562 405 1HD PRO 59 1HD PRO 59 29.817 6.605 -26.395 406 2HD PRO 59 2HD PRO 59 30.959 7.957 -26.268 407 H PHE 60 H PHE 60 26.238 10.700 -27.471 408 HA PHE 60 HA PHE 60 24.564 8.382 -28.175 409 1HB PHE 60 1HB PHE 60 22.660 9.911 -27.497 410 2HB PHE 60 2HB PHE 60 23.734 9.416 -26.193 411 HD1 PHE 60 HD1 PHE 60 23.123 12.180 -28.596 412 HD2 PHE 60 HD2 PHE 60 24.720 11.012 -24.828 413 HE1 PHE 60 HE1 PHE 60 23.514 14.543 -28.035 414 HE2 PHE 60 HE2 PHE 60 25.112 13.374 -24.259 415 HZ PHE 60 HZ PHE 60 24.511 15.141 -25.864 416 H THR 61 H THR 61 22.541 9.199 -29.497 417 HA THR 61 HA THR 61 23.578 10.832 -31.721 418 HB THR 61 HB THR 61 21.341 9.076 -32.405 419 HG1 THR 61 HG1 THR 61 22.239 7.190 -31.948 420 1HG2 THR 61 1HG2 THR 61 24.099 9.565 -33.528 421 2HG2 THR 61 2HG2 THR 61 22.900 8.508 -34.276 422 3HG2 THR 61 3HG2 THR 61 22.574 10.234 -34.111 423 H TYR 62 H TYR 62 22.578 12.706 -31.966 424 HA TYR 62 HA TYR 62 19.710 12.874 -31.365 425 1HB TYR 62 1HB TYR 62 20.817 13.831 -29.442 426 2HB TYR 62 2HB TYR 62 21.837 14.828 -30.476 427 HD1 TYR 62 HD1 TYR 62 18.278 14.242 -29.560 428 HD2 TYR 62 HD2 TYR 62 21.168 16.987 -31.044 429 HE1 TYR 62 HE1 TYR 62 16.609 16.045 -29.457 430 HE2 TYR 62 HE2 TYR 62 19.508 18.800 -30.943 431 HH TYR 62 HH TYR 62 16.274 18.315 -30.689 432 H ASN 63 H ASN 63 18.542 13.865 -32.884 433 HA ASN 63 HA ASN 63 17.972 15.065 -34.730 434 1HB ASN 63 1HB ASN 63 19.626 16.736 -33.476 435 2HB ASN 63 2HB ASN 63 20.619 16.423 -34.896 436 2HD2 ASN 63 1HD2 ASN 63 18.291 18.372 -33.627 437 1HD2 ASN 63 2HD2 ASN 63 17.644 19.032 -35.086 438 H GLY 64 H GLY 64 20.149 12.718 -34.624 439 1HA GLY 64 1HA GLY 64 20.376 11.283 -36.558 440 2HA GLY 64 2HA GLY 64 20.492 12.727 -37.553 441 H ARG 65 H ARG 65 22.299 13.746 -35.210 442 HA ARG 65 HA ARG 65 24.746 12.595 -36.345 443 1HB ARG 65 1HB ARG 65 25.883 14.596 -35.496 444 2HB ARG 65 2HB ARG 65 24.543 15.017 -36.551 445 1HG ARG 65 1HG ARG 65 23.549 14.921 -33.902 446 2HG ARG 65 2HG ARG 65 25.041 15.859 -33.896 447 1HD ARG 65 1HD ARG 65 22.883 17.131 -34.338 448 2HD ARG 65 2HD ARG 65 24.216 17.396 -35.464 449 HE ARG 65 HE ARG 65 22.546 15.313 -36.383 450 1HH1 ARG 65 1HH1 ARG 65 22.667 18.776 -36.044 451 2HH1 ARG 65 2HH1 ARG 65 21.596 19.074 -37.372 452 1HH2 ARG 65 1HH2 ARG 65 21.133 15.692 -38.135 453 2HH2 ARG 65 2HH2 ARG 65 20.723 17.320 -38.561 454 H THR 66 H THR 66 26.538 13.312 -34.324 455 HA THR 66 HA THR 66 25.608 11.795 -31.985 456 HB THR 66 HB THR 66 28.269 11.333 -33.341 457 HG1 THR 66 HG1 THR 66 27.280 9.241 -33.783 458 1HG2 THR 66 1HG2 THR 66 27.151 10.588 -30.741 459 2HG2 THR 66 2HG2 THR 66 27.788 9.224 -31.659 460 3HG2 THR 66 3HG2 THR 66 28.826 10.601 -31.291 461 H PHE 67 H PHE 67 26.679 12.243 -30.028 462 HA PHE 67 HA PHE 67 28.610 14.443 -30.034 463 1HB PHE 67 1HB PHE 67 26.275 14.478 -28.133 464 2HB PHE 67 2HB PHE 67 27.404 15.777 -28.506 465 HD1 PHE 67 HD1 PHE 67 24.834 13.637 -30.158 466 HD2 PHE 67 HD2 PHE 67 26.748 17.434 -29.953 467 HE1 PHE 67 HE1 PHE 67 23.265 14.516 -31.836 468 HE2 PHE 67 HE2 PHE 67 25.180 18.319 -31.630 469 HZ PHE 67 HZ PHE 67 23.438 16.858 -32.575 470 H TYR 68 H TYR 68 30.196 14.199 -28.566 471 HA TYR 68 HA TYR 68 30.030 11.890 -26.774 472 1HB TYR 68 1HB TYR 68 32.321 13.501 -27.876 473 2HB TYR 68 2HB TYR 68 32.544 12.435 -26.494 474 HD1 TYR 68 HD1 TYR 68 31.388 12.468 -30.030 475 HD2 TYR 68 HD2 TYR 68 32.937 10.152 -26.815 476 HE1 TYR 68 HE1 TYR 68 31.694 10.565 -31.556 477 HE2 TYR 68 HE2 TYR 68 33.248 8.243 -28.332 478 HH TYR 68 HH TYR 68 32.002 7.549 -30.697 479 H SER 69 H SER 69 28.984 14.815 -26.468 480 HA SER 69 HA SER 69 29.306 14.928 -23.647 481 1HB SER 69 2HB SER 69 30.942 16.452 -23.346 482 2HB SER 69 1HB SER 69 30.369 17.454 -24.678 483 HG SER 69 HG SER 69 32.529 16.253 -24.790 484 H CYS 70 H CYS 70 28.457 17.211 -22.858 485 HA CYS 70 HA CYS 70 25.815 17.444 -23.599 486 1HB CYS 70 1HB CYS 70 27.400 19.792 -22.583 487 2HB CYS 70 2HB CYS 70 25.721 19.381 -22.257 488 H THR 71 H THR 71 24.742 19.413 -24.549 489 HA THR 71 HA THR 71 26.149 21.046 -26.404 490 HB THR 71 HB THR 71 26.288 18.993 -27.711 491 HG1 THR 71 HG1 THR 71 26.010 20.734 -29.028 492 1HG2 THR 71 1HG2 THR 71 23.420 18.812 -26.988 493 2HG2 THR 71 2HG2 THR 71 23.868 18.282 -28.609 494 3HG2 THR 71 3HG2 THR 71 24.618 17.535 -27.198 495 H THR 72 H THR 72 24.565 22.201 -27.907 496 HA THR 72 HA THR 72 21.937 22.488 -26.608 497 HB THR 72 HB THR 72 22.071 24.944 -27.129 498 HG1 THR 72 HG1 THR 72 24.117 25.801 -27.578 499 1HG2 THR 72 1HG2 THR 72 23.043 23.526 -24.953 500 2HG2 THR 72 2HG2 THR 72 24.328 24.677 -25.320 501 3HG2 THR 72 3HG2 THR 72 22.692 25.253 -25.002 502 H GLU 73 H GLU 73 21.823 20.873 -28.597 503 HA GLU 73 HA GLU 73 21.234 22.412 -31.033 504 1HB GLU 73 1HB GLU 73 22.053 19.573 -30.543 505 2HB GLU 73 2HB GLU 73 21.153 19.975 -32.000 506 1HG GLU 73 1HG GLU 73 23.260 21.853 -31.724 507 2HG GLU 73 2HG GLU 73 23.927 20.236 -31.498 508 H GLY 74 H GLY 74 19.631 21.456 -28.413 509 1HA GLY 74 1HA GLY 74 17.232 20.647 -29.937 510 2HA GLY 74 2HA GLY 74 17.559 20.128 -28.291 511 H ARG 75 H ARG 75 18.587 23.067 -27.962 512 HA ARG 75 HA ARG 75 15.910 24.212 -27.499 513 1HB ARG 75 1HB ARG 75 17.116 25.536 -25.662 514 2HB ARG 75 2HB ARG 75 16.784 23.838 -25.357 515 1HG ARG 75 1HG ARG 75 19.398 24.491 -26.573 516 2HG ARG 75 2HG ARG 75 19.151 24.965 -24.892 517 1HD ARG 75 1HD ARG 75 20.039 22.537 -25.674 518 2HD ARG 75 2HD ARG 75 19.197 22.839 -24.159 519 HE ARG 75 HE ARG 75 18.109 21.552 -26.542 520 1HH1 ARG 75 1HH1 ARG 75 17.578 22.744 -23.303 521 2HH1 ARG 75 2HH1 ARG 75 16.130 21.824 -23.071 522 1HH2 ARG 75 1HH2 ARG 75 16.204 20.350 -26.238 523 2HH2 ARG 75 2HH2 ARG 75 15.349 20.466 -24.736 524 H GLN 76 H GLN 76 15.922 26.633 -27.371 525 HA GLN 76 HA GLN 76 17.724 27.723 -29.430 526 1HB GLN 76 1HB GLN 76 15.999 29.105 -30.206 527 2HB GLN 76 2HB GLN 76 15.202 27.571 -29.890 528 1HG GLN 76 1HG GLN 76 14.243 28.384 -27.880 529 2HG GLN 76 2HG GLN 76 15.238 29.839 -27.921 530 2HE2 GLN 76 1HE2 GLN 76 14.545 31.576 -29.028 531 1HE2 GLN 76 2HE2 GLN 76 13.071 31.642 -29.925 532 H ASP 77 H ASP 77 17.551 27.622 -26.259 533 HA ASP 77 HA ASP 77 17.828 30.469 -25.711 534 1HB ASP 77 1HB ASP 77 16.793 28.380 -24.234 535 2HB ASP 77 2HB ASP 77 18.373 28.635 -23.500 536 H GLY 78 H GLY 78 19.693 27.541 -24.925 537 1HA GLY 78 1HA GLY 78 22.063 27.709 -25.902 538 2HA GLY 78 2HA GLY 78 22.129 29.194 -24.969 539 H HIS 79 H HIS 79 20.574 26.209 -23.938 540 HA HIS 79 HA HIS 79 22.502 26.079 -21.722 541 1HB HIS 79 1HB HIS 79 19.934 24.549 -21.695 542 2HB HIS 79 2HB HIS 79 20.839 25.241 -20.352 543 HD1 HIS 79 HD1 HIS 79 17.706 25.636 -21.457 544 HD2 HIS 79 HD2 HIS 79 20.823 28.376 -21.254 545 HE1 HIS 79 HE1 HIS 79 16.611 27.900 -21.412 546 HE2 HIS 79 HE2 HIS 79 18.513 29.535 -21.185 547 H LEU 80 H LEU 80 23.968 24.523 -21.774 548 HA LEU 80 HA LEU 80 23.958 22.463 -23.728 549 1HB LEU 80 1HB LEU 80 25.680 23.218 -21.419 550 2HB LEU 80 2HB LEU 80 25.831 21.588 -22.047 551 HG LEU 80 HG LEU 80 26.299 22.556 -24.300 552 1HD1 LEU 80 1HD1 LEU 80 25.197 24.811 -23.472 553 2HD1 LEU 80 2HD1 LEU 80 26.864 25.182 -23.034 554 3HD1 LEU 80 3HD1 LEU 80 26.458 24.792 -24.706 555 1HD2 LEU 80 1HD2 LEU 80 28.038 22.990 -21.921 556 2HD2 LEU 80 2HD2 LEU 80 28.240 21.886 -23.281 557 3HD2 LEU 80 3HD2 LEU 80 28.564 23.606 -23.486 558 H TRP 81 H TRP 81 23.408 20.327 -23.586 559 HA TRP 81 HA TRP 81 22.552 19.270 -20.997 560 1HB TRP 81 1HB TRP 81 20.440 18.427 -21.952 561 2HB TRP 81 2HB TRP 81 20.516 20.186 -21.976 562 HD1 TRP 81 HD1 TRP 81 20.690 21.378 -24.360 563 HE1 TRP 81 HE1 TRP 81 20.179 20.548 -26.741 564 HE3 TRP 81 HE3 TRP 81 20.541 16.348 -23.455 565 HZ2 TRP 81 HZ2 TRP 81 19.767 18.088 -28.063 566 HZ3 TRP 81 HZ3 TRP 81 20.083 14.825 -25.333 567 HH2 TRP 81 HH2 TRP 81 19.704 15.679 -27.588 568 H CYS 82 H CYS 82 22.015 16.919 -21.147 569 HA CYS 82 HA CYS 82 23.364 15.503 -23.317 570 1HB CYS 82 1HB CYS 82 24.820 14.277 -21.924 571 2HB CYS 82 2HB CYS 82 24.975 15.940 -21.368 572 H SER 83 H SER 83 23.003 13.079 -23.083 573 HA SER 83 HA SER 83 20.273 12.646 -22.077 574 1HB SER 83 1HB SER 83 19.845 11.813 -24.110 575 2HB SER 83 2HB SER 83 21.535 12.001 -24.578 576 HG SER 83 HG SER 83 21.763 9.931 -24.376 577 H THR 84 H THR 84 20.042 11.404 -20.354 578 HA THR 84 HA THR 84 22.283 9.849 -19.371 579 HB THR 84 HB THR 84 21.116 9.641 -17.333 580 HG1 THR 84 HG1 THR 84 19.094 8.982 -17.907 581 1HG2 THR 84 1HG2 THR 84 21.677 12.070 -18.311 582 2HG2 THR 84 2HG2 THR 84 19.941 12.259 -18.067 583 3HG2 THR 84 3HG2 THR 84 20.979 11.823 -16.709 584 H THR 85 H THR 85 20.077 9.237 -21.638 585 HA THR 85 HA THR 85 20.220 6.366 -21.211 586 HB THR 85 HB THR 85 17.576 7.794 -21.559 587 HG1 THR 85 HG1 THR 85 18.127 7.747 -19.407 588 1HG2 THR 85 1HG2 THR 85 18.288 5.322 -22.593 589 2HG2 THR 85 2HG2 THR 85 17.474 4.931 -21.078 590 3HG2 THR 85 3HG2 THR 85 16.647 5.899 -22.300 591 H SER 86 H SER 86 20.702 5.392 -23.072 592 HA SER 86 HA SER 86 21.325 6.584 -25.416 593 1HB SER 86 1HB SER 86 21.417 4.473 -26.387 594 2HB SER 86 2HB SER 86 21.486 4.076 -24.671 595 HG SER 86 HG SER 86 19.908 2.920 -26.116 596 H ASN 87 H ASN 87 18.120 5.408 -24.492 597 HA ASN 87 HA ASN 87 16.987 6.469 -26.967 598 1HB ASN 87 1HB ASN 87 16.359 4.271 -25.299 599 2HB ASN 87 2HB ASN 87 15.003 5.390 -25.194 600 2HD2 ASN 87 1HD2 ASN 87 13.707 3.871 -26.284 601 1HD2 ASN 87 2HD2 ASN 87 13.823 3.659 -27.993 602 H TYR 88 H TYR 88 17.641 8.668 -26.049 603 HA TYR 88 HA TYR 88 16.078 9.742 -23.910 604 1HB TYR 88 1HB TYR 88 18.021 10.954 -24.134 605 2HB TYR 88 2HB TYR 88 18.037 10.808 -25.887 606 HD1 TYR 88 HD1 TYR 88 16.638 12.316 -27.266 607 HD2 TYR 88 HD2 TYR 88 16.968 12.813 -23.054 608 HE1 TYR 88 HE1 TYR 88 15.749 14.598 -27.472 609 HE2 TYR 88 HE2 TYR 88 16.075 15.096 -23.247 610 HH TYR 88 HH TYR 88 15.209 16.469 -26.410 611 H GLU 89 H GLU 89 15.545 9.165 -27.228 612 HA GLU 89 HA GLU 89 13.672 11.226 -27.761 613 1HB GLU 89 1HB GLU 89 14.226 8.564 -29.058 614 2HB GLU 89 2HB GLU 89 12.952 9.633 -29.631 615 1HG GLU 89 1HG GLU 89 15.329 11.158 -29.367 616 2HG GLU 89 2HG GLU 89 15.713 9.680 -30.246 617 H GLN 90 H GLN 90 13.494 8.324 -25.967 618 HA GLN 90 HA GLN 90 10.557 8.530 -25.900 619 1HB GLN 90 1HB GLN 90 10.321 6.250 -25.848 620 2HB GLN 90 2HB GLN 90 11.774 6.379 -26.828 621 1HG GLN 90 1HG GLN 90 13.162 5.745 -25.041 622 2HG GLN 90 2HG GLN 90 11.881 5.988 -23.855 623 2HE2 GLN 90 1HE2 GLN 90 10.594 4.335 -23.342 624 1HE2 GLN 90 2HE2 GLN 90 10.621 2.784 -24.103 625 H ASP 91 H ASP 91 13.478 7.911 -24.030 626 HA ASP 91 HA ASP 91 12.196 7.700 -21.511 627 1HB ASP 91 1HB ASP 91 14.977 7.960 -22.491 628 2HB ASP 91 2HB ASP 91 14.689 8.518 -20.845 629 H GLN 92 H GLN 92 14.108 10.368 -22.908 630 HA GLN 92 HA GLN 92 13.789 12.636 -22.773 631 1HB GLN 92 1HB GLN 92 11.258 11.676 -22.157 632 2HB GLN 92 2HB GLN 92 11.657 12.710 -20.791 633 1HG GLN 92 1HG GLN 92 10.881 14.369 -22.051 634 2HG GLN 92 2HG GLN 92 12.417 14.251 -22.909 635 2HE2 GLN 92 1HE2 GLN 92 12.464 12.774 -24.773 636 1HE2 GLN 92 2HE2 GLN 92 11.046 12.648 -25.753 637 H LYS 93 H LYS 93 15.216 10.804 -20.834 638 HA LYS 93 HA LYS 93 15.269 12.490 -18.442 639 1HB LYS 93 1HB LYS 93 16.437 9.775 -19.052 640 2HB LYS 93 2HB LYS 93 16.805 10.662 -17.579 641 1HG LYS 93 1HG LYS 93 14.923 8.870 -17.595 642 2HG LYS 93 2HG LYS 93 14.696 10.384 -16.718 643 1HD LYS 93 1HD LYS 93 13.376 11.293 -18.498 644 2HD LYS 93 2HD LYS 93 13.748 9.919 -19.541 645 1HE LYS 93 1HE LYS 93 11.554 9.575 -18.700 646 2HE LYS 93 2HE LYS 93 12.613 8.456 -17.844 647 1HZ LYS 93 1HZ LYS 93 12.586 10.753 -16.330 648 2HZ LYS 93 2HZ LYS 93 10.977 10.527 -16.800 649 3HZ LYS 93 3HZ LYS 93 11.800 9.298 -15.978 650 H TYR 94 H TYR 94 16.263 14.239 -19.716 651 HA TYR 94 HA TYR 94 19.111 13.796 -20.280 652 1HB TYR 94 2HB TYR 94 17.454 14.819 -22.000 653 2HB TYR 94 1HB TYR 94 19.037 15.562 -21.801 654 HD1 TYR 94 HD1 TYR 94 19.255 17.685 -20.530 655 HD2 TYR 94 HD2 TYR 94 15.457 16.007 -21.459 656 HE1 TYR 94 HE1 TYR 94 18.189 19.848 -20.051 657 HE2 TYR 94 HE2 TYR 94 14.380 18.167 -20.984 658 HH TYR 94 HH TYR 94 15.539 20.462 -19.272 659 H SER 95 H SER 95 20.597 15.585 -19.729 660 HA SER 95 HA SER 95 19.770 17.067 -17.329 661 1HB SER 95 1HB SER 95 22.447 16.504 -16.883 662 2HB SER 95 2HB SER 95 21.082 15.710 -16.100 663 HG SER 95 HG SER 95 21.832 13.980 -17.019 664 H PHE 96 H PHE 96 20.953 19.005 -16.925 665 HA PHE 96 HA PHE 96 21.857 20.275 -19.365 666 1HB PHE 96 1HB PHE 96 21.262 21.248 -16.584 667 2HB PHE 96 2HB PHE 96 22.101 22.278 -17.739 668 HD1 PHE 96 HD1 PHE 96 20.762 21.752 -20.242 669 HD2 PHE 96 HD2 PHE 96 19.136 22.075 -16.323 670 HE1 PHE 96 HE1 PHE 96 18.601 22.440 -21.201 671 HE2 PHE 96 HE2 PHE 96 16.972 22.760 -17.271 672 HZ PHE 96 HZ PHE 96 16.702 22.944 -19.713 673 H CYS 97 H CYS 97 23.729 22.003 -18.800 674 HA CYS 97 HA CYS 97 25.882 20.887 -17.246 675 1HB CYS 97 1HB CYS 97 26.190 21.096 -20.250 676 2HB CYS 97 2HB CYS 97 27.450 20.645 -19.107 677 H THR 98 H THR 98 27.562 22.360 -16.880 678 HA THR 98 HA THR 98 26.881 25.123 -17.582 679 HB THR 98 HB THR 98 27.147 25.218 -15.321 680 HG1 THR 98 HG1 THR 98 29.871 25.303 -15.386 681 1HG2 THR 98 1HG2 THR 98 28.940 22.855 -15.690 682 2HG2 THR 98 2HG2 THR 98 29.035 23.790 -14.200 683 3HG2 THR 98 3HG2 THR 98 27.514 23.031 -14.669 684 H ASP 99 H ASP 99 29.697 22.974 -17.392 685 HA ASP 99 HA ASP 99 31.636 22.890 -18.578 686 1HB ASP 99 1HB ASP 99 30.419 22.829 -20.604 687 2HB ASP 99 2HB ASP 99 29.946 24.519 -20.468 688 H HIS 100 H HIS 100 30.409 26.218 -18.988 689 HA HIS 100 HA HIS 100 32.919 27.459 -18.856 690 1HB HIS 100 1HB HIS 100 30.188 28.267 -19.074 691 2HB HIS 100 2HB HIS 100 30.958 29.244 -17.827 692 HD1 HIS 100 HD1 HIS 100 33.802 29.152 -19.382 693 HD2 HIS 100 HD2 HIS 100 30.133 30.410 -20.871 694 HE1 HIS 100 HE1 HIS 100 34.345 30.698 -21.289 695 HE2 HIS 100 HE2 HIS 100 32.110 31.521 -22.113 696 H THR 101 H THR 101 32.797 29.441 -16.975 697 HA THR 101 HA THR 101 32.879 27.967 -14.422 698 HB THR 101 HB THR 101 34.673 29.896 -13.938 699 HG1 THR 101 HG1 THR 101 34.554 30.709 -16.094 700 1HG2 THR 101 1HG2 THR 101 34.993 27.454 -13.676 701 2HG2 THR 101 2HG2 THR 101 35.353 27.342 -15.400 702 3HG2 THR 101 3HG2 THR 101 36.417 28.261 -14.336 No H/Q in entry = 702 Start of MODEL 26 1 H1 TYR 1 H1 TYR 1 53.304 5.295 -39.294 2 H2 TYR 1 H2 TYR 1 54.443 4.824 -40.453 3 H3 TYR 1 H3 TYR 1 54.951 5.564 -39.018 4 HA TYR 1 HA TYR 1 54.288 7.640 -39.650 5 1HB TYR 1 1HB TYR 1 55.937 6.253 -41.295 6 2HB TYR 1 2HB TYR 1 54.699 6.750 -42.445 7 HD1 TYR 1 HD1 TYR 1 54.230 9.188 -42.759 8 HD2 TYR 1 HD2 TYR 1 57.528 7.799 -40.458 9 HE1 TYR 1 HE1 TYR 1 55.276 11.406 -42.930 10 HE2 TYR 1 HE2 TYR 1 58.583 10.013 -40.622 11 HH TYR 1 HH TYR 1 56.902 12.753 -42.000 12 H GLY 2 H GLY 2 52.538 8.847 -40.029 13 1HA GLY 2 1HA GLY 2 50.687 9.583 -41.307 14 2HA GLY 2 2HA GLY 2 50.618 8.003 -42.071 15 H HIS 3 H HIS 3 50.422 6.251 -40.069 16 HA HIS 3 HA HIS 3 47.739 6.569 -39.196 17 1HB HIS 3 1HB HIS 3 49.861 4.507 -38.895 18 2HB HIS 3 2HB HIS 3 48.547 4.484 -37.721 19 HD1 HIS 3 HD1 HIS 3 48.528 5.008 -41.495 20 HD2 HIS 3 HD2 HIS 3 46.816 2.600 -38.574 21 HE1 HIS 3 HE1 HIS 3 46.913 3.517 -42.716 22 HE2 HIS 3 HE2 HIS 3 45.817 2.137 -40.915 23 H CYS 4 H CYS 4 47.039 6.385 -36.918 24 HA CYS 4 HA CYS 4 48.774 8.021 -35.193 25 1HB CYS 4 1HB CYS 4 46.331 8.127 -33.983 26 2HB CYS 4 2HB CYS 4 46.927 9.306 -35.140 27 H VAL 5 H VAL 5 49.248 7.401 -33.130 28 HA VAL 5 HA VAL 5 48.143 4.856 -32.169 29 HB VAL 5 HB VAL 5 50.647 4.616 -31.229 30 1HG1 VAL 5 1HG1 VAL 5 49.049 3.373 -33.189 31 2HG1 VAL 5 2HG1 VAL 5 50.673 3.510 -33.864 32 3HG1 VAL 5 3HG1 VAL 5 50.428 2.697 -32.318 33 1HG2 VAL 5 1HG2 VAL 5 51.307 6.686 -32.507 34 2HG2 VAL 5 2HG2 VAL 5 52.296 5.258 -32.810 35 3HG2 VAL 5 3HG2 VAL 5 51.077 5.752 -33.985 36 H THR 6 H THR 6 48.763 4.486 -29.827 37 HA THR 6 HA THR 6 48.452 7.023 -28.385 38 HB THR 6 HB THR 6 47.235 5.941 -26.787 39 HG1 THR 6 HG1 THR 6 47.633 3.781 -26.166 40 1HG2 THR 6 1HG2 THR 6 46.991 4.228 -29.250 41 2HG2 THR 6 2HG2 THR 6 45.976 3.977 -27.831 42 3HG2 THR 6 3HG2 THR 6 45.918 5.513 -28.696 43 H ASP 7 H ASP 7 50.072 3.885 -27.908 44 HA ASP 7 HA ASP 7 52.489 5.248 -27.052 45 1HB ASP 7 1HB ASP 7 50.893 3.423 -25.255 46 2HB ASP 7 2HB ASP 7 52.604 3.751 -24.995 47 H SER 8 H SER 8 50.806 2.206 -27.625 48 HA SER 8 HA SER 8 52.392 1.121 -29.508 49 1HB SER 8 1HB SER 8 54.398 1.197 -28.307 50 2HB SER 8 2HB SER 8 53.622 0.734 -26.793 51 HG SER 8 HG SER 8 54.020 -0.933 -29.058 52 H GLY 9 H GLY 9 49.748 0.997 -28.557 53 1HA GLY 9 1HA GLY 9 49.468 -1.920 -28.227 54 2HA GLY 9 2HA GLY 9 48.497 -0.810 -27.270 55 H VAL 10 H VAL 10 48.079 1.094 -29.382 56 HA VAL 10 HA VAL 10 46.247 -0.463 -31.087 57 HB VAL 10 HB VAL 10 45.790 2.445 -30.643 58 1HG1 VAL 10 1HG1 VAL 10 44.203 0.023 -31.319 59 2HG1 VAL 10 2HG1 VAL 10 43.388 1.361 -30.509 60 3HG1 VAL 10 3HG1 VAL 10 44.193 1.626 -32.055 61 1HG2 VAL 10 1HG2 VAL 10 46.289 1.394 -28.396 62 2HG2 VAL 10 2HG2 VAL 10 44.716 2.173 -28.556 63 3HG2 VAL 10 3HG2 VAL 10 44.841 0.416 -28.636 64 H VAL 11 H VAL 11 45.753 0.571 -33.201 65 HA VAL 11 HA VAL 11 47.925 2.244 -34.237 66 HB VAL 11 HB VAL 11 46.997 -0.305 -35.573 67 1HG1 VAL 11 1HG1 VAL 11 47.656 1.766 -36.983 68 2HG1 VAL 11 2HG1 VAL 11 49.300 1.385 -36.468 69 3HG1 VAL 11 3HG1 VAL 11 48.365 0.198 -37.376 70 1HG2 VAL 11 1HG2 VAL 11 49.287 0.350 -33.824 71 2HG2 VAL 11 2HG2 VAL 11 48.449 -1.181 -34.073 72 3HG2 VAL 11 3HG2 VAL 11 49.641 -0.628 -35.249 73 H TYR 12 H TYR 12 46.328 3.894 -34.217 74 HA TYR 12 HA TYR 12 43.934 3.620 -35.786 75 1HB TYR 12 1HB TYR 12 45.211 6.024 -34.473 76 2HB TYR 12 2HB TYR 12 43.638 6.042 -35.265 77 HD1 TYR 12 HD1 TYR 12 41.775 4.676 -34.300 78 HD2 TYR 12 HD2 TYR 12 45.474 5.223 -32.273 79 HE1 TYR 12 HE1 TYR 12 40.720 3.958 -32.195 80 HE2 TYR 12 HE2 TYR 12 44.431 4.501 -30.163 81 HH TYR 12 HH TYR 12 42.207 4.365 -29.162 82 H SER 13 H SER 13 43.616 5.860 -37.177 83 HA SER 13 HA SER 13 45.902 6.170 -38.972 84 1HB SER 13 1HB SER 13 43.116 5.449 -39.908 85 2HB SER 13 2HB SER 13 44.471 5.863 -40.958 86 HG SER 13 HG SER 13 44.061 3.568 -39.393 87 H VAL 14 H VAL 14 45.931 8.101 -40.136 88 HA VAL 14 HA VAL 14 45.176 10.397 -38.928 89 HB VAL 14 HB VAL 14 46.664 10.601 -40.729 90 1HG1 VAL 14 1HG1 VAL 14 44.553 9.200 -42.334 91 2HG1 VAL 14 2HG1 VAL 14 45.849 10.112 -43.109 92 3HG1 VAL 14 3HG1 VAL 14 46.235 8.740 -42.071 93 1HG2 VAL 14 1HG2 VAL 14 44.569 12.289 -40.516 94 2HG2 VAL 14 2HG2 VAL 14 45.913 12.527 -41.633 95 3HG2 VAL 14 3HG2 VAL 14 44.412 11.800 -42.204 96 H GLY 15 H GLY 15 43.083 10.228 -38.044 97 1HA GLY 15 1HA GLY 15 40.986 11.401 -38.360 98 2HA GLY 15 2HA GLY 15 40.947 10.779 -39.997 99 H MET 16 H MET 16 41.624 9.033 -36.995 100 HA MET 16 HA MET 16 39.174 7.463 -37.461 101 1HB MET 16 1HB MET 16 41.936 6.603 -37.197 102 2HB MET 16 2HB MET 16 40.895 5.821 -36.017 103 1HG MET 16 1HG MET 16 39.603 5.798 -38.558 104 2HG MET 16 2HG MET 16 41.245 5.183 -38.736 105 1HE MET 16 1HE MET 16 42.249 3.346 -37.582 106 2HE MET 16 2HE MET 16 41.774 3.486 -35.889 107 3HE MET 16 3HE MET 16 41.416 2.011 -36.785 108 H GLN 17 H GLN 17 38.857 9.602 -35.968 109 HA GLN 17 HA GLN 17 39.442 9.921 -33.405 110 1HB GLN 17 1HB GLN 17 36.647 9.904 -34.545 111 2HB GLN 17 2HB GLN 17 37.064 10.571 -32.973 112 1HG GLN 17 1HG GLN 17 38.443 12.243 -33.977 113 2HG GLN 17 2HG GLN 17 38.265 11.506 -35.566 114 2HE2 GLN 17 1HE2 GLN 17 35.676 11.849 -33.244 115 1HE2 GLN 17 2HE2 GLN 17 34.760 13.004 -34.144 116 H TRP 18 H TRP 18 39.224 8.976 -31.469 117 HA TRP 18 HA TRP 18 37.479 6.656 -31.183 118 1HB TRP 18 1HB TRP 18 39.206 5.268 -30.218 119 2HB TRP 18 2HB TRP 18 39.726 5.790 -31.815 120 HD1 TRP 18 HD1 TRP 18 40.527 6.236 -28.107 121 HE1 TRP 18 HE1 TRP 18 42.856 7.303 -27.891 122 HE3 TRP 18 HE3 TRP 18 41.398 7.301 -33.032 123 HZ2 TRP 18 HZ2 TRP 18 44.807 8.453 -29.586 124 HZ3 TRP 18 HZ3 TRP 18 43.516 8.381 -33.650 125 HH2 TRP 18 HH2 TRP 18 45.185 8.943 -31.960 126 H LEU 19 H LEU 19 38.080 5.880 -28.647 127 HA LEU 19 HA LEU 19 37.787 8.356 -27.077 128 1HB LEU 19 1HB LEU 19 36.209 5.804 -26.930 129 2HB LEU 19 2HB LEU 19 36.291 6.908 -25.572 130 HG LEU 19 HG LEU 19 34.248 7.200 -26.921 131 1HD1 LEU 19 1HD1 LEU 19 35.343 9.077 -25.652 132 2HD1 LEU 19 2HD1 LEU 19 36.025 9.611 -27.187 133 3HD1 LEU 19 3HD1 LEU 19 34.275 9.568 -26.968 134 1HD2 LEU 19 1HD2 LEU 19 35.916 6.858 -29.082 135 2HD2 LEU 19 2HD2 LEU 19 34.244 7.402 -29.139 136 3HD2 LEU 19 3HD2 LEU 19 35.552 8.582 -29.121 137 H LYS 20 H LYS 20 39.421 8.583 -25.726 138 HA LYS 20 HA LYS 20 40.882 6.228 -24.799 139 1HB LYS 20 1HB LYS 20 42.010 8.337 -25.691 140 2HB LYS 20 2HB LYS 20 41.538 9.101 -24.181 141 1HG LYS 20 1HG LYS 20 43.539 8.407 -23.467 142 2HG LYS 20 2HG LYS 20 42.732 6.851 -23.264 143 1HD LYS 20 1HD LYS 20 43.706 7.318 -25.979 144 2HD LYS 20 2HD LYS 20 44.985 7.300 -24.764 145 1HE LYS 20 1HE LYS 20 44.744 5.099 -24.359 146 2HE LYS 20 2HE LYS 20 42.986 5.167 -24.488 147 1HZ LYS 20 1HZ LYS 20 43.250 5.269 -26.919 148 2HZ LYS 20 2HZ LYS 20 44.921 5.075 -26.738 149 3HZ LYS 20 3HZ LYS 20 43.868 3.840 -26.261 150 H THR 21 H THR 21 40.981 5.564 -22.716 151 HA THR 21 HA THR 21 39.372 7.045 -20.742 152 HB THR 21 HB THR 21 39.342 4.111 -21.376 153 HG1 THR 21 HG1 THR 21 37.130 5.683 -20.628 154 1HG2 THR 21 1HG2 THR 21 39.808 4.269 -18.976 155 2HG2 THR 21 2HG2 THR 21 38.432 5.355 -18.778 156 3HG2 THR 21 3HG2 THR 21 38.170 3.682 -19.272 157 H GLN 22 H GLN 22 42.335 5.571 -21.488 158 HA GLN 22 HA GLN 22 43.143 4.988 -18.795 159 1HB GLN 22 1HB GLN 22 45.151 5.355 -20.963 160 2HB GLN 22 2HB GLN 22 45.069 4.128 -19.706 161 1HG GLN 22 1HG GLN 22 42.829 3.662 -21.277 162 2HG GLN 22 2HG GLN 22 44.107 4.058 -22.426 163 2HE2 GLN 22 1HE2 GLN 22 43.067 1.587 -22.496 164 1HE2 GLN 22 2HE2 GLN 22 44.188 0.429 -21.873 165 H GLY 23 H GLY 23 42.443 7.242 -18.130 166 1HA GLY 23 1HA GLY 23 44.825 8.844 -17.824 167 2HA GLY 23 2HA GLY 23 43.567 9.619 -18.773 168 H ASN 24 H ASN 24 41.348 8.550 -17.346 169 HA ASN 24 HA ASN 24 41.559 9.094 -14.565 170 1HB ASN 24 1HB ASN 24 41.522 11.392 -16.056 171 2HB ASN 24 2HB ASN 24 39.811 11.163 -15.708 172 2HD2 ASN 24 1HD2 ASN 24 40.559 13.309 -14.635 173 1HD2 ASN 24 2HD2 ASN 24 40.953 13.178 -12.959 174 H LYS 25 H LYS 25 38.990 9.932 -16.879 175 HA LYS 25 HA LYS 25 37.452 7.609 -15.968 176 1HB LYS 25 1HB LYS 25 36.266 10.382 -16.138 177 2HB LYS 25 2HB LYS 25 35.467 8.919 -15.581 178 1HG LYS 25 1HG LYS 25 36.245 9.167 -13.514 179 2HG LYS 25 2HG LYS 25 37.885 9.480 -14.084 180 1HD LYS 25 1HD LYS 25 37.581 11.749 -14.141 181 2HD LYS 25 2HD LYS 25 35.845 11.618 -14.427 182 1HE LYS 25 1HE LYS 25 36.059 10.512 -11.956 183 2HE LYS 25 2HE LYS 25 37.347 11.714 -11.904 184 1HZ LYS 25 1HZ LYS 25 35.505 13.253 -12.859 185 2HZ LYS 25 2HZ LYS 25 34.450 12.108 -12.195 186 3HZ LYS 25 3HZ LYS 25 35.550 12.923 -11.200 187 H GLN 26 H GLN 26 37.508 10.381 -18.195 188 HA GLN 26 HA GLN 26 37.025 8.632 -20.434 189 1HB GLN 26 1HB GLN 26 34.757 9.399 -19.308 190 2HB GLN 26 2HB GLN 26 35.066 10.873 -20.215 191 1HG GLN 26 1HG GLN 26 34.997 9.734 -22.281 192 2HG GLN 26 2HG GLN 26 35.058 8.157 -21.493 193 2HE2 GLN 26 1HE2 GLN 26 33.203 7.723 -19.982 194 1HE2 GLN 26 2HE2 GLN 26 31.634 8.212 -20.512 195 H MET 27 H MET 27 37.851 9.433 -22.292 196 HA MET 27 HA MET 27 38.329 12.259 -22.656 197 1HB MET 27 1HB MET 27 40.466 10.390 -21.826 198 2HB MET 27 2HB MET 27 40.864 11.451 -23.171 199 1HG MET 27 1HG MET 27 39.601 12.982 -21.133 200 2HG MET 27 2HG MET 27 40.890 12.023 -20.412 201 1HE MET 27 1HE MET 27 43.002 11.641 -21.555 202 2HE MET 27 2HE MET 27 43.377 12.342 -23.129 203 3HE MET 27 3HE MET 27 44.036 13.066 -21.663 204 H LEU 28 H LEU 28 37.697 12.541 -24.704 205 HA LEU 28 HA LEU 28 37.796 10.385 -26.623 206 1HB LEU 28 1HB LEU 28 35.899 11.720 -26.863 207 2HB LEU 28 2HB LEU 28 36.800 13.211 -26.658 208 HG LEU 28 HG LEU 28 37.886 12.178 -28.967 209 1HD1 LEU 28 1HD1 LEU 28 35.580 10.709 -28.606 210 2HD1 LEU 28 2HD1 LEU 28 35.096 11.986 -29.720 211 3HD1 LEU 28 3HD1 LEU 28 36.453 10.934 -30.122 212 1HD2 LEU 28 1HD2 LEU 28 36.872 14.500 -28.218 213 2HD2 LEU 28 2HD2 LEU 28 37.088 14.093 -29.921 214 3HD2 LEU 28 3HD2 LEU 28 35.498 13.936 -29.171 215 H CYS 29 H CYS 29 39.537 9.921 -27.799 216 HA CYS 29 HA CYS 29 41.553 12.024 -28.217 217 1HB CYS 29 1HB CYS 29 41.688 9.066 -27.902 218 2HB CYS 29 2HB CYS 29 42.912 9.847 -28.895 219 H THR 30 H THR 30 42.101 12.692 -30.208 220 HA THR 30 HA THR 30 41.150 11.149 -32.527 221 HB THR 30 HB THR 30 40.825 14.136 -32.188 222 HG1 THR 30 HG1 THR 30 38.684 13.695 -32.056 223 1HG2 THR 30 1HG2 THR 30 40.455 12.328 -34.570 224 2HG2 THR 30 2HG2 THR 30 39.645 13.890 -34.439 225 3HG2 THR 30 3HG2 THR 30 41.407 13.808 -34.454 226 H CYS 31 H CYS 31 42.462 11.196 -34.313 227 HA CYS 31 HA CYS 31 45.025 12.587 -33.955 228 1HB CYS 31 1HB CYS 31 45.937 10.884 -35.544 229 2HB CYS 31 2HB CYS 31 45.371 10.222 -34.015 230 H LEU 32 H LEU 32 44.973 14.432 -35.010 231 HA LEU 32 HA LEU 32 43.444 14.798 -37.416 232 1HB LEU 32 1HB LEU 32 44.866 17.059 -37.287 233 2HB LEU 32 2HB LEU 32 43.418 16.783 -36.337 234 HG LEU 32 HG LEU 32 45.998 15.961 -35.119 235 1HD1 LEU 32 1HD1 LEU 32 45.783 18.501 -36.241 236 2HD1 LEU 32 2HD1 LEU 32 45.459 18.721 -34.521 237 3HD1 LEU 32 3HD1 LEU 32 46.958 17.953 -35.044 238 1HD2 LEU 32 1HD2 LEU 32 43.476 15.970 -34.230 239 2HD2 LEU 32 2HD2 LEU 32 44.868 16.188 -33.169 240 3HD2 LEU 32 3HD2 LEU 32 43.958 17.592 -33.731 241 H GLY 33 H GLY 33 46.647 16.182 -37.193 242 1HA GLY 33 1HA GLY 33 47.576 14.419 -39.354 243 2HA GLY 33 2HA GLY 33 47.591 16.156 -39.606 244 H ASN 34 H ASN 34 48.487 17.093 -37.209 245 HA ASN 34 HA ASN 34 51.281 16.496 -37.384 246 1HB ASN 34 1HB ASN 34 51.404 18.127 -35.419 247 2HB ASN 34 2HB ASN 34 50.762 18.760 -36.932 248 2HD2 ASN 34 1HD2 ASN 34 49.961 17.664 -33.716 249 1HD2 ASN 34 2HD2 ASN 34 48.413 18.428 -33.631 250 H GLY 35 H GLY 35 48.651 15.633 -35.257 251 1HA GLY 35 1HA GLY 35 50.132 13.457 -34.156 252 2HA GLY 35 2HA GLY 35 49.963 14.766 -32.995 253 H VAL 36 H VAL 36 48.515 14.040 -31.559 254 HA VAL 36 HA VAL 36 45.835 13.428 -32.548 255 HB VAL 36 HB VAL 36 47.237 11.696 -30.507 256 1HG1 VAL 36 1HG1 VAL 36 44.655 12.189 -30.442 257 2HG1 VAL 36 2HG1 VAL 36 44.623 11.009 -31.752 258 3HG1 VAL 36 3HG1 VAL 36 45.276 10.561 -30.176 259 1HG2 VAL 36 1HG2 VAL 36 46.719 11.367 -33.423 260 2HG2 VAL 36 2HG2 VAL 36 48.147 10.946 -32.479 261 3HG2 VAL 36 3HG2 VAL 36 46.695 9.949 -32.372 262 H SER 37 H SER 37 44.525 14.823 -31.620 263 HA SER 37 HA SER 37 45.141 15.774 -28.908 264 1HB SER 37 1HB SER 37 44.963 17.444 -30.820 265 2HB SER 37 2HB SER 37 43.242 17.061 -30.876 266 HG SER 37 HG SER 37 44.705 18.203 -28.736 267 H CYS 38 H CYS 38 43.774 15.378 -27.268 268 HA CYS 38 HA CYS 38 41.227 14.070 -27.942 269 1HB CYS 38 1HB CYS 38 42.561 13.689 -25.292 270 2HB CYS 38 2HB CYS 38 41.463 12.615 -26.142 271 H GLN 39 H GLN 39 39.651 14.195 -25.989 272 HA GLN 39 HA GLN 39 39.656 16.964 -24.978 273 1HB GLN 39 1HB GLN 39 37.809 15.787 -26.715 274 2HB GLN 39 2HB GLN 39 37.010 15.790 -25.148 275 1HG GLN 39 1HG GLN 39 36.808 18.032 -25.101 276 2HG GLN 39 2HG GLN 39 38.352 18.297 -25.908 277 2HE2 GLN 39 1HE2 GLN 39 35.665 16.314 -27.017 278 1HE2 GLN 39 2HE2 GLN 39 35.321 17.243 -28.431 279 H GLU 40 H GLU 40 39.851 17.047 -22.854 280 HA GLU 40 HA GLU 40 39.705 14.822 -21.157 281 1HB GLU 40 2HB GLU 40 40.822 17.195 -20.873 282 2HB GLU 40 1HB GLU 40 40.352 16.238 -19.477 283 1HG GLU 40 1HG GLU 40 38.204 17.510 -19.430 284 2HG GLU 40 2HG GLU 40 39.648 18.459 -19.078 285 H THR 41 H THR 41 38.033 13.788 -20.324 286 HA THR 41 HA THR 41 35.983 13.388 -19.386 287 HB THR 41 HB THR 41 35.304 16.304 -19.763 288 HG1 THR 41 HG1 THR 41 36.270 16.693 -17.814 289 1HG2 THR 41 1HG2 THR 41 34.207 14.046 -18.122 290 2HG2 THR 41 2HG2 THR 41 33.977 15.720 -17.617 291 3HG2 THR 41 3HG2 THR 41 33.352 15.175 -19.174 292 H ALA 42 H ALA 42 35.740 15.822 -21.983 293 HA ALA 42 HA ALA 42 34.829 15.556 -24.095 294 1HB ALA 42 3HB ALA 42 34.188 13.539 -24.860 295 2HB ALA 42 2HB ALA 42 33.169 13.212 -23.460 296 3HB ALA 42 1HB ALA 42 34.911 12.962 -23.359 297 H VAL 43 H VAL 43 33.651 16.582 -21.448 298 HA VAL 43 HA VAL 43 30.841 16.754 -22.311 299 HB VAL 43 HB VAL 43 30.264 17.363 -20.041 300 1HG1 VAL 43 1HG1 VAL 43 31.727 14.877 -20.631 301 2HG1 VAL 43 2HG1 VAL 43 31.478 15.228 -18.921 302 3HG1 VAL 43 3HG1 VAL 43 30.094 15.116 -20.008 303 1HG2 VAL 43 1HG2 VAL 43 32.263 18.636 -19.470 304 2HG2 VAL 43 2HG2 VAL 43 31.938 17.402 -18.252 305 3HG2 VAL 43 3HG2 VAL 43 33.215 17.150 -19.444 306 H THR 44 H THR 44 30.025 18.988 -20.980 307 HA THR 44 HA THR 44 31.750 21.224 -21.343 308 HB THR 44 HB THR 44 29.662 21.899 -23.140 309 HG1 THR 44 HG1 THR 44 29.682 19.496 -23.406 310 1HG2 THR 44 1HG2 THR 44 32.635 21.512 -23.358 311 2HG2 THR 44 2HG2 THR 44 31.666 22.007 -24.746 312 3HG2 THR 44 3HG2 THR 44 31.718 23.018 -23.300 313 H GLN 45 H GLN 45 30.288 23.336 -21.369 314 HA GLN 45 HA GLN 45 28.407 22.968 -19.160 315 1HB GLN 45 1HB GLN 45 29.543 25.542 -20.264 316 2HB GLN 45 2HB GLN 45 28.651 25.346 -18.763 317 1HG GLN 45 1HG GLN 45 30.598 23.663 -18.217 318 2HG GLN 45 2HG GLN 45 31.459 24.635 -19.410 319 2HE2 GLN 45 1HE2 GLN 45 30.172 27.095 -18.828 320 1HE2 GLN 45 2HE2 GLN 45 30.739 27.632 -17.287 321 H THR 46 H THR 46 26.595 24.731 -19.186 322 HA THR 46 HA THR 46 25.461 25.170 -21.829 323 HB THR 46 HB THR 46 23.294 24.157 -21.244 324 HG1 THR 46 HG1 THR 46 23.611 24.255 -18.927 325 1HG2 THR 46 1HG2 THR 46 25.704 22.350 -21.157 326 2HG2 THR 46 2HG2 THR 46 24.052 21.747 -21.296 327 3HG2 THR 46 3HG2 THR 46 24.721 22.782 -22.557 328 H TYR 47 H TYR 47 24.148 26.945 -21.913 329 HA TYR 47 HA TYR 47 23.670 28.328 -19.355 330 1HB TYR 47 1HB TYR 47 23.624 30.402 -20.956 331 2HB TYR 47 2HB TYR 47 25.161 29.744 -20.406 332 HD1 TYR 47 HD1 TYR 47 22.743 29.564 -23.233 333 HD2 TYR 47 HD2 TYR 47 26.782 29.140 -21.969 334 HE1 TYR 47 HE1 TYR 47 23.438 29.280 -25.573 335 HE2 TYR 47 HE2 TYR 47 27.490 28.856 -24.307 336 HH TYR 47 HH TYR 47 26.275 29.714 -26.715 337 H GLY 48 H GLY 48 22.335 27.480 -22.490 338 1HA GLY 48 1HA GLY 48 19.667 27.896 -21.427 339 2HA GLY 48 2HA GLY 48 20.099 28.897 -22.802 340 H GLY 49 H GLY 49 19.014 28.115 -24.491 341 1HA GLY 49 1HA GLY 49 18.851 26.610 -26.296 342 2HA GLY 49 2HA GLY 49 19.531 25.351 -25.277 343 H ASN 50 H ASN 50 17.791 24.039 -26.188 344 HA ASN 50 HA ASN 50 15.069 24.632 -25.571 345 1HB ASN 50 1HB ASN 50 16.523 22.594 -27.012 346 2HB ASN 50 2HB ASN 50 15.300 21.860 -25.980 347 2HD2 ASN 50 1HD2 ASN 50 13.346 23.792 -26.034 348 1HD2 ASN 50 2HD2 ASN 50 12.705 23.914 -27.635 349 H SER 51 H SER 51 17.652 23.495 -23.728 350 HA SER 51 HA SER 51 15.841 22.232 -21.784 351 1HB SER 51 1HB SER 51 18.265 21.320 -22.820 352 2HB SER 51 2HB SER 51 18.668 21.895 -21.202 353 HG SER 51 HG SER 51 17.917 19.650 -21.387 354 H ASN 52 H ASN 52 17.941 24.904 -22.332 355 HA ASN 52 HA ASN 52 18.216 26.822 -21.147 356 1HB ASN 52 1HB ASN 52 15.923 26.417 -20.269 357 2HB ASN 52 2HB ASN 52 16.637 25.489 -18.959 358 2HD2 ASN 52 1HD2 ASN 52 16.327 28.658 -20.380 359 1HD2 ASN 52 2HD2 ASN 52 16.780 29.550 -18.972 360 H GLY 53 H GLY 53 19.631 24.041 -20.735 361 1HA GLY 53 1HA GLY 53 21.899 23.994 -19.915 362 2HA GLY 53 2HA GLY 53 21.400 25.056 -18.609 363 H GLU 54 H GLU 54 22.103 21.910 -19.454 364 HA GLU 54 HA GLU 54 21.589 20.920 -16.856 365 1HB GLU 54 1HB GLU 54 19.624 19.832 -17.022 366 2HB GLU 54 2HB GLU 54 19.318 20.914 -18.370 367 1HG GLU 54 1HG GLU 54 20.028 19.247 -19.941 368 2HG GLU 54 2HG GLU 54 20.528 18.173 -18.636 369 HA PRO 55 HA PRO 55 24.542 17.855 -17.945 370 1HB PRO 55 1HB PRO 55 23.412 15.480 -17.138 371 2HB PRO 55 2HB PRO 55 24.189 16.634 -16.049 372 1HG PRO 55 1HG PRO 55 21.283 16.244 -16.636 373 2HG PRO 55 2HG PRO 55 22.081 16.558 -15.085 374 1HD PRO 55 1HD PRO 55 20.803 18.500 -16.433 375 2HD PRO 55 2HD PRO 55 22.281 18.828 -15.505 376 H CYS 56 H CYS 56 24.894 17.485 -20.047 377 HA CYS 56 HA CYS 56 22.995 16.813 -21.959 378 1HB CYS 56 2HB CYS 56 24.814 16.399 -23.456 379 2HB CYS 56 1HB CYS 56 25.916 16.069 -22.122 380 H VAL 57 H VAL 57 23.150 14.759 -23.352 381 HA VAL 57 HA VAL 57 23.433 12.382 -21.645 382 HB VAL 57 HB VAL 57 21.052 12.984 -21.746 383 1HG1 VAL 57 1HG1 VAL 57 21.395 13.976 -24.134 384 2HG1 VAL 57 2HG1 VAL 57 21.003 12.340 -24.661 385 3HG1 VAL 57 3HG1 VAL 57 19.849 13.254 -23.692 386 1HG2 VAL 57 1HG2 VAL 57 21.832 10.489 -23.252 387 2HG2 VAL 57 2HG2 VAL 57 21.592 10.655 -21.512 388 3HG2 VAL 57 3HG2 VAL 57 20.219 10.801 -22.609 389 H LEU 58 H LEU 58 25.509 12.594 -23.042 390 HA LEU 58 HA LEU 58 25.071 11.298 -25.648 391 1HB LEU 58 1HB LEU 58 27.695 11.962 -25.694 392 2HB LEU 58 2HB LEU 58 26.407 12.968 -26.327 393 HG LEU 58 HG LEU 58 27.993 14.250 -24.973 394 1HD1 LEU 58 1HD1 LEU 58 25.208 14.273 -24.778 395 2HD1 LEU 58 2HD1 LEU 58 25.806 14.489 -23.133 396 3HD1 LEU 58 3HD1 LEU 58 26.324 15.588 -24.412 397 1HD2 LEU 58 1HD2 LEU 58 27.330 12.161 -22.960 398 2HD2 LEU 58 2HD2 LEU 58 28.880 12.908 -23.348 399 3HD2 LEU 58 3HD2 LEU 58 27.686 13.797 -22.403 400 HA PRO 59 HA PRO 59 27.225 10.738 -27.009 401 1HB PRO 59 2HB PRO 59 28.409 9.176 -28.144 402 2HB PRO 59 1HB PRO 59 27.119 7.987 -27.977 403 1HG PRO 59 1HG PRO 59 28.639 6.990 -26.563 404 2HG PRO 59 2HG PRO 59 29.441 8.526 -26.191 405 1HD PRO 59 1HD PRO 59 26.936 7.367 -25.042 406 2HD PRO 59 2HD PRO 59 28.250 8.237 -24.225 407 H PHE 60 H PHE 60 25.667 11.264 -28.420 408 HA PHE 60 HA PHE 60 23.170 9.695 -28.369 409 1HB PHE 60 1HB PHE 60 22.094 11.943 -29.029 410 2HB PHE 60 2HB PHE 60 22.590 11.735 -27.353 411 HD1 PHE 60 HD1 PHE 60 23.603 13.221 -30.585 412 HD2 PHE 60 HD2 PHE 60 24.127 13.189 -26.364 413 HE1 PHE 60 HE1 PHE 60 24.968 15.263 -30.744 414 HE2 PHE 60 HE2 PHE 60 25.492 15.231 -26.513 415 HZ PHE 60 HZ PHE 60 25.915 16.267 -28.705 416 H THR 61 H THR 61 21.816 10.287 -30.447 417 HA THR 61 HA THR 61 23.681 10.208 -32.725 418 HB THR 61 HB THR 61 21.076 9.067 -33.313 419 HG1 THR 61 HG1 THR 61 21.672 7.102 -32.012 420 1HG2 THR 61 1HG2 THR 61 23.912 8.037 -33.433 421 2HG2 THR 61 2HG2 THR 61 22.513 7.183 -34.084 422 3HG2 THR 61 3HG2 THR 61 22.984 8.746 -34.754 423 H TYR 62 H TYR 62 23.526 11.850 -34.078 424 HA TYR 62 HA TYR 62 20.916 13.095 -34.533 425 1HB TYR 62 1HB TYR 62 22.034 14.495 -32.870 426 2HB TYR 62 2HB TYR 62 23.454 14.616 -33.904 427 HD1 TYR 62 HD1 TYR 62 19.910 15.590 -33.562 428 HD2 TYR 62 HD2 TYR 62 23.542 16.177 -35.694 429 HE1 TYR 62 HE1 TYR 62 18.951 17.586 -34.632 430 HE2 TYR 62 HE2 TYR 62 22.595 18.175 -36.772 431 HH TYR 62 HH TYR 62 19.666 19.612 -35.725 432 H ASN 63 H ASN 63 20.511 13.381 -36.636 433 HA ASN 63 HA ASN 63 20.813 13.667 -38.881 434 1HB ASN 63 1HB ASN 63 22.755 15.205 -37.922 435 2HB ASN 63 2HB ASN 63 23.771 13.953 -38.631 436 2HD2 ASN 63 1HD2 ASN 63 23.722 16.624 -39.466 437 1HD2 ASN 63 2HD2 ASN 63 23.123 16.675 -41.084 438 H GLY 64 H GLY 64 21.910 11.210 -37.073 439 1HA GLY 64 1HA GLY 64 21.838 8.988 -38.050 440 2HA GLY 64 2HA GLY 64 22.660 9.644 -39.458 441 H ARG 65 H ARG 65 24.252 11.176 -37.183 442 HA ARG 65 HA ARG 65 26.245 9.034 -36.895 443 1HB ARG 65 1HB ARG 65 27.905 10.818 -36.657 444 2HB ARG 65 2HB ARG 65 27.007 10.985 -38.158 445 1HG ARG 65 1HG ARG 65 25.629 12.493 -36.222 446 2HG ARG 65 2HG ARG 65 27.341 12.866 -36.049 447 1HD ARG 65 1HD ARG 65 26.075 14.311 -37.675 448 2HD ARG 65 2HD ARG 65 27.525 13.531 -38.313 449 HE ARG 65 HE ARG 65 25.097 12.049 -38.734 450 1HH1 ARG 65 1HH1 ARG 65 27.240 14.484 -40.000 451 2HH1 ARG 65 2HH1 ARG 65 26.722 14.273 -41.639 452 1HH2 ARG 65 1HH2 ARG 65 24.407 11.761 -40.889 453 2HH2 ARG 65 2HH2 ARG 65 25.110 12.725 -42.145 454 H THR 66 H THR 66 27.810 10.216 -34.901 455 HA THR 66 HA THR 66 25.996 10.417 -32.599 456 HB THR 66 HB THR 66 28.460 8.667 -32.650 457 HG1 THR 66 HG1 THR 66 27.155 7.057 -33.126 458 1HG2 THR 66 1HG2 THR 66 27.936 9.693 -30.456 459 2HG2 THR 66 2HG2 THR 66 26.330 8.971 -30.533 460 3HG2 THR 66 3HG2 THR 66 27.757 7.939 -30.451 461 H PHE 67 H PHE 67 26.982 11.355 -30.679 462 HA PHE 67 HA PHE 67 29.516 12.744 -31.065 463 1HB PHE 67 1HB PHE 67 27.124 14.335 -30.173 464 2HB PHE 67 2HB PHE 67 28.686 14.921 -30.735 465 HD1 PHE 67 HD1 PHE 67 25.783 12.916 -31.954 466 HD2 PHE 67 HD2 PHE 67 28.832 15.739 -32.874 467 HE1 PHE 67 HE1 PHE 67 24.866 13.162 -34.224 468 HE2 PHE 67 HE2 PHE 67 27.921 15.990 -35.144 469 HZ PHE 67 HZ PHE 67 25.935 14.701 -35.823 470 H TYR 68 H TYR 68 30.663 12.953 -29.218 471 HA TYR 68 HA TYR 68 29.485 11.866 -26.784 472 1HB TYR 68 1HB TYR 68 32.356 12.665 -27.277 473 2HB TYR 68 2HB TYR 68 31.744 11.630 -25.991 474 HD1 TYR 68 HD1 TYR 68 29.963 9.825 -27.391 475 HD2 TYR 68 HD2 TYR 68 33.744 11.345 -28.580 476 HE1 TYR 68 HE1 TYR 68 30.299 7.843 -28.804 477 HE2 TYR 68 HE2 TYR 68 34.105 9.372 -30.000 478 HH TYR 68 HH TYR 68 32.330 6.584 -29.758 479 H SER 69 H SER 69 29.463 14.808 -28.064 480 HA SER 69 HA SER 69 29.047 16.114 -25.575 481 1HB SER 69 1HB SER 69 31.047 17.799 -26.627 482 2HB SER 69 2HB SER 69 31.108 16.867 -25.131 483 HG SER 69 HG SER 69 32.561 15.678 -26.045 484 H CYS 70 H CYS 70 29.401 18.750 -26.293 485 HA CYS 70 HA CYS 70 27.118 19.359 -27.701 486 1HB CYS 70 2HB CYS 70 28.005 21.631 -27.869 487 2HB CYS 70 1HB CYS 70 29.619 21.047 -27.491 488 H THR 71 H THR 71 27.209 20.845 -29.755 489 HA THR 71 HA THR 71 29.105 20.427 -31.764 490 HB THR 71 HB THR 71 28.408 18.082 -31.706 491 HG1 THR 71 HG1 THR 71 27.604 18.050 -33.990 492 1HG2 THR 71 1HG2 THR 71 25.756 19.290 -31.613 493 2HG2 THR 71 2HG2 THR 71 25.886 18.008 -32.818 494 3HG2 THR 71 3HG2 THR 71 26.279 17.676 -31.131 495 H THR 72 H THR 72 28.463 21.317 -33.815 496 HA THR 72 HA THR 72 26.003 22.932 -33.641 497 HB THR 72 HB THR 72 27.428 24.347 -35.418 498 HG1 THR 72 HG1 THR 72 29.525 24.050 -35.225 499 1HG2 THR 72 1HG2 THR 72 26.378 25.017 -33.189 500 2HG2 THR 72 2HG2 THR 72 27.958 24.690 -32.478 501 3HG2 THR 72 3HG2 THR 72 27.789 25.935 -33.717 502 H GLU 73 H GLU 73 26.151 20.291 -34.730 503 HA GLU 73 HA GLU 73 26.185 20.571 -37.615 504 1HB GLU 73 1HB GLU 73 26.218 18.380 -35.690 505 2HB GLU 73 2HB GLU 73 25.136 18.074 -37.042 506 1HG GLU 73 1HG GLU 73 27.787 19.120 -37.761 507 2HG GLU 73 2HG GLU 73 27.770 17.510 -37.041 508 H GLY 74 H GLY 74 24.064 21.630 -35.501 509 1HA GLY 74 1HA GLY 74 21.732 20.799 -37.115 510 2HA GLY 74 2HA GLY 74 21.637 21.083 -35.385 511 H ARG 75 H ARG 75 23.599 23.429 -35.965 512 HA ARG 75 HA ARG 75 21.601 25.283 -37.071 513 1HB ARG 75 1HB ARG 75 22.610 26.928 -35.302 514 2HB ARG 75 2HB ARG 75 21.348 25.797 -34.839 515 1HG ARG 75 1HG ARG 75 23.475 24.286 -34.291 516 2HG ARG 75 2HG ARG 75 24.199 25.880 -34.073 517 1HD ARG 75 1HD ARG 75 22.118 24.503 -32.488 518 2HD ARG 75 2HD ARG 75 23.401 25.591 -31.971 519 HE ARG 75 HE ARG 75 22.015 27.419 -32.414 520 1HH1 ARG 75 1HH1 ARG 75 20.440 24.407 -33.217 521 2HH1 ARG 75 2HH1 ARG 75 18.858 25.106 -33.269 522 1HH2 ARG 75 1HH2 ARG 75 19.933 28.337 -32.488 523 2HH2 ARG 75 2HH2 ARG 75 18.570 27.336 -32.859 524 H GLN 76 H GLN 76 22.356 26.786 -38.451 525 HA GLN 76 HA GLN 76 25.180 26.644 -39.159 526 1HB GLN 76 1HB GLN 76 22.949 28.144 -40.539 527 2HB GLN 76 2HB GLN 76 24.554 27.825 -41.182 528 1HG GLN 76 1HG GLN 76 23.940 25.345 -40.913 529 2HG GLN 76 2HG GLN 76 22.281 25.925 -40.774 530 2HE2 GLN 76 1HE2 GLN 76 22.051 24.573 -42.723 531 1HE2 GLN 76 2HE2 GLN 76 22.379 25.292 -44.259 532 H ASP 77 H ASP 77 23.861 28.166 -36.801 533 HA ASP 77 HA ASP 77 24.614 30.903 -37.391 534 1HB ASP 77 1HB ASP 77 24.009 31.159 -34.878 535 2HB ASP 77 2HB ASP 77 22.717 30.839 -36.033 536 H GLY 78 H GLY 78 25.675 28.288 -35.253 537 1HA GLY 78 1HA GLY 78 28.132 27.991 -35.119 538 2HA GLY 78 2HA GLY 78 28.232 29.735 -34.934 539 H HIS 79 H HIS 79 25.758 27.827 -33.361 540 HA HIS 79 HA HIS 79 27.059 28.408 -30.784 541 1HB HIS 79 2HB HIS 79 24.985 28.759 -29.799 542 2HB HIS 79 1HB HIS 79 24.128 27.831 -31.024 543 HD1 HIS 79 HD1 HIS 79 26.462 30.750 -31.646 544 HD2 HIS 79 HD2 HIS 79 22.447 29.741 -32.009 545 HE1 HIS 79 HE1 HIS 79 25.393 32.673 -32.865 546 HE2 HIS 79 HE2 HIS 79 22.955 32.061 -33.035 547 H LEU 80 H LEU 80 27.863 26.706 -29.789 548 HA LEU 80 HA LEU 80 27.448 24.047 -30.613 549 1HB LEU 80 1HB LEU 80 28.705 25.322 -28.205 550 2HB LEU 80 2HB LEU 80 28.497 23.584 -28.272 551 HG LEU 80 HG LEU 80 29.877 23.465 -30.281 552 1HD1 LEU 80 1HD1 LEU 80 29.279 25.671 -31.201 553 2HD1 LEU 80 2HD1 LEU 80 30.253 26.437 -29.946 554 3HD1 LEU 80 3HD1 LEU 80 31.022 25.406 -31.152 555 1HD2 LEU 80 1HD2 LEU 80 30.781 23.637 -27.824 556 2HD2 LEU 80 2HD2 LEU 80 31.890 23.628 -29.195 557 3HD2 LEU 80 3HD2 LEU 80 31.470 25.151 -28.411 558 H TRP 81 H TRP 81 26.178 22.410 -29.809 559 HA TRP 81 HA TRP 81 24.443 22.967 -27.531 560 1HB TRP 81 1HB TRP 81 22.410 22.404 -28.723 561 2HB TRP 81 2HB TRP 81 23.210 23.741 -29.542 562 HD1 TRP 81 HD1 TRP 81 23.819 23.410 -32.049 563 HE1 TRP 81 HE1 TRP 81 23.541 21.476 -33.722 564 HE3 TRP 81 HE3 TRP 81 22.457 19.700 -28.799 565 HZ2 TRP 81 HZ2 TRP 81 22.840 18.744 -33.677 566 HZ3 TRP 81 HZ3 TRP 81 22.001 17.457 -29.697 567 HH2 TRP 81 HH2 TRP 81 22.189 16.989 -32.086 568 H CYS 82 H CYS 82 23.821 21.175 -26.405 569 HA CYS 82 HA CYS 82 24.736 18.574 -27.448 570 1HB CYS 82 1HB CYS 82 25.600 17.964 -25.374 571 2HB CYS 82 2HB CYS 82 26.033 19.667 -25.475 572 H SER 83 H SER 83 23.604 16.697 -26.440 573 HA SER 83 HA SER 83 20.748 17.264 -26.344 574 1HB SER 83 1HB SER 83 21.742 15.430 -27.790 575 2HB SER 83 2HB SER 83 22.068 14.547 -26.300 576 HG SER 83 HG SER 83 20.083 13.903 -27.132 577 H THR 84 H THR 84 19.399 16.718 -24.644 578 HA THR 84 HA THR 84 20.772 16.148 -22.101 579 HB THR 84 HB THR 84 19.220 17.478 -20.943 580 HG1 THR 84 HG1 THR 84 17.588 16.851 -23.055 581 1HG2 THR 84 1HG2 THR 84 20.804 18.610 -22.782 582 2HG2 THR 84 2HG2 THR 84 19.241 19.165 -23.381 583 3HG2 THR 84 3HG2 THR 84 19.742 19.550 -21.736 584 H THR 85 H THR 85 18.238 15.199 -24.260 585 HA THR 85 HA THR 85 17.411 13.098 -22.361 586 HB THR 85 HB THR 85 15.806 14.455 -24.532 587 HG1 THR 85 HG1 THR 85 16.015 15.382 -22.328 588 1HG2 THR 85 1HG2 THR 85 15.447 11.831 -23.204 589 2HG2 THR 85 2HG2 THR 85 14.013 12.846 -23.347 590 3HG2 THR 85 3HG2 THR 85 14.911 12.381 -24.793 591 H SER 86 H SER 86 18.172 11.161 -22.898 592 HA SER 86 HA SER 86 19.584 10.417 -25.087 593 1HB SER 86 1HB SER 86 18.010 8.977 -23.067 594 2HB SER 86 2HB SER 86 18.222 8.086 -24.575 595 HG SER 86 HG SER 86 19.911 7.953 -22.813 596 H ASN 87 H ASN 87 16.135 10.777 -24.859 597 HA ASN 87 HA ASN 87 15.713 9.623 -27.509 598 1HB ASN 87 1HB ASN 87 14.162 9.722 -25.191 599 2HB ASN 87 2HB ASN 87 13.378 10.845 -26.292 600 2HD2 ASN 87 1HD2 ASN 87 11.723 9.081 -25.922 601 1HD2 ASN 87 2HD2 ASN 87 11.713 7.788 -27.066 602 H TYR 88 H TYR 88 17.257 11.751 -27.878 603 HA TYR 88 HA TYR 88 15.840 14.209 -28.128 604 1HB TYR 88 1HB TYR 88 18.195 14.404 -27.932 605 2HB TYR 88 2HB TYR 88 18.476 13.239 -29.224 606 HD1 TYR 88 HD1 TYR 88 17.979 13.882 -31.584 607 HD2 TYR 88 HD2 TYR 88 17.867 16.706 -28.406 608 HE1 TYR 88 HE1 TYR 88 18.078 15.716 -33.218 609 HE2 TYR 88 HE2 TYR 88 17.965 18.546 -30.030 610 HH TYR 88 HH TYR 88 17.360 18.879 -32.478 611 H GLU 89 H GLU 89 16.084 11.373 -30.014 612 HA GLU 89 HA GLU 89 15.513 12.511 -32.554 613 1HB GLU 89 1HB GLU 89 15.353 9.724 -31.433 614 2HB GLU 89 2HB GLU 89 14.790 10.085 -33.059 615 1HG GLU 89 1HG GLU 89 17.067 11.021 -33.534 616 2HG GLU 89 2HG GLU 89 17.577 10.375 -31.976 617 H GLN 90 H GLN 90 13.646 11.819 -29.779 618 HA GLN 90 HA GLN 90 11.174 12.250 -31.322 619 1HB GLN 90 2HB GLN 90 10.125 10.569 -30.245 620 2HB GLN 90 1HB GLN 90 10.877 10.960 -28.702 621 1HG GLN 90 1HG GLN 90 12.170 9.445 -30.957 622 2HG GLN 90 2HG GLN 90 12.920 9.843 -29.411 623 2HE2 GLN 90 1HE2 GLN 90 12.947 7.289 -30.013 624 1HE2 GLN 90 2HE2 GLN 90 11.765 6.394 -29.125 625 H ASP 91 H ASP 91 12.933 12.881 -28.347 626 HA ASP 91 HA ASP 91 10.936 14.767 -27.414 627 1HB ASP 91 1HB ASP 91 13.545 13.751 -26.311 628 2HB ASP 91 2HB ASP 91 12.752 15.155 -25.605 629 H GLN 92 H GLN 92 14.076 14.766 -28.965 630 HA GLN 92 HA GLN 92 15.313 16.408 -29.936 631 1HB GLN 92 2HB GLN 92 14.176 18.058 -31.116 632 2HB GLN 92 1HB GLN 92 12.956 18.255 -29.866 633 1HG GLN 92 1HG GLN 92 12.970 15.598 -31.067 634 2HG GLN 92 2HG GLN 92 11.630 16.698 -30.752 635 2HE2 GLN 92 1HE2 GLN 92 13.804 15.468 -33.072 636 1HE2 GLN 92 2HE2 GLN 92 13.250 16.392 -34.423 637 H LYS 93 H LYS 93 15.184 16.276 -27.034 638 HA LYS 93 HA LYS 93 15.233 19.018 -26.111 639 1HB LYS 93 1HB LYS 93 15.582 16.339 -24.821 640 2HB LYS 93 2HB LYS 93 16.133 17.782 -23.980 641 1HG LYS 93 1HG LYS 93 13.736 16.856 -23.573 642 2HG LYS 93 2HG LYS 93 14.008 18.596 -23.690 643 1HD LYS 93 1HD LYS 93 13.201 18.661 -25.920 644 2HD LYS 93 2HD LYS 93 13.227 16.904 -26.050 645 1HE LYS 93 1HE LYS 93 11.242 16.671 -25.015 646 2HE LYS 93 2HE LYS 93 11.581 17.958 -23.860 647 1HZ LYS 93 1HZ LYS 93 11.277 19.089 -26.409 648 2HZ LYS 93 2HZ LYS 93 9.958 18.067 -26.125 649 3HZ LYS 93 3HZ LYS 93 10.313 19.314 -25.038 650 H TYR 94 H TYR 94 16.919 20.272 -26.493 651 HA TYR 94 HA TYR 94 19.611 19.161 -26.146 652 1HB TYR 94 2HB TYR 94 18.892 19.312 -28.607 653 2HB TYR 94 1HB TYR 94 20.434 20.036 -28.166 654 HD1 TYR 94 HD1 TYR 94 20.467 22.564 -27.720 655 HD2 TYR 94 HD2 TYR 94 17.264 20.587 -29.702 656 HE1 TYR 94 HE1 TYR 94 19.747 24.710 -28.682 657 HE2 TYR 94 HE2 TYR 94 16.535 22.727 -30.671 658 HH TYR 94 HH TYR 94 17.081 25.480 -29.673 659 H SER 95 H SER 95 21.259 20.780 -25.782 660 HA SER 95 HA SER 95 20.194 23.327 -24.760 661 1HB SER 95 1HB SER 95 22.577 22.499 -23.346 662 2HB SER 95 2HB SER 95 20.990 22.918 -22.701 663 HG SER 95 HG SER 95 21.781 20.693 -22.341 664 H PHE 96 H PHE 96 22.337 24.745 -24.202 665 HA PHE 96 HA PHE 96 23.852 24.765 -26.725 666 1HB PHE 96 1HB PHE 96 22.930 26.953 -24.896 667 2HB PHE 96 2HB PHE 96 24.317 27.212 -25.947 668 HD1 PHE 96 HD1 PHE 96 23.563 25.829 -28.386 669 HD2 PHE 96 HD2 PHE 96 21.200 28.208 -25.765 670 HE1 PHE 96 HE1 PHE 96 22.052 26.374 -30.250 671 HE2 PHE 96 HE2 PHE 96 19.683 28.756 -27.623 672 HZ PHE 96 HZ PHE 96 20.108 27.839 -29.868 673 H CYS 97 H CYS 97 26.017 26.078 -26.355 674 HA CYS 97 HA CYS 97 27.323 25.461 -23.851 675 1HB CYS 97 2HB CYS 97 28.882 23.905 -24.615 676 2HB CYS 97 1HB CYS 97 28.604 24.309 -26.306 677 H THR 98 H THR 98 28.931 26.865 -23.426 678 HA THR 98 HA THR 98 29.320 29.097 -25.127 679 HB THR 98 HB THR 98 30.858 29.902 -23.458 680 HG1 THR 98 HG1 THR 98 31.277 28.393 -21.626 681 1HG2 THR 98 1HG2 THR 98 28.388 29.869 -22.964 682 2HG2 THR 98 2HG2 THR 98 28.678 28.423 -21.997 683 3HG2 THR 98 3HG2 THR 98 29.435 29.952 -21.547 684 H ASP 99 H ASP 99 31.935 27.154 -23.740 685 HA ASP 99 HA ASP 99 33.710 26.086 -24.754 686 1HB ASP 99 1HB ASP 99 32.015 25.944 -26.775 687 2HB ASP 99 2HB ASP 99 33.043 27.207 -27.446 688 H HIS 100 H HIS 100 32.976 29.204 -26.320 689 HA HIS 100 HA HIS 100 35.739 29.980 -26.382 690 1HB HIS 100 1HB HIS 100 33.175 31.454 -26.984 691 2HB HIS 100 2HB HIS 100 34.761 32.207 -27.108 692 HD1 HIS 100 HD1 HIS 100 35.980 29.407 -28.314 693 HD2 HIS 100 HD2 HIS 100 32.841 31.703 -29.778 694 HE1 HIS 100 HE1 HIS 100 35.815 28.841 -30.759 695 HE2 HIS 100 HE2 HIS 100 33.960 30.301 -31.640 696 H THR 101 H THR 101 36.564 31.939 -25.350 697 HA THR 101 HA THR 101 35.190 32.898 -22.986 698 HB THR 101 HB THR 101 36.277 30.886 -22.117 699 HG1 THR 101 HG1 THR 101 37.682 33.221 -21.280 700 1HG2 THR 101 1HG2 THR 101 38.382 31.667 -23.848 701 2HG2 THR 101 2HG2 THR 101 39.010 31.679 -22.200 702 3HG2 THR 101 3HG2 THR 101 38.267 30.217 -22.850 No H/Q in entry = 702 Start of MODEL 27 1 H1 TYR 1 H1 TYR 1 44.680 2.983 -47.513 2 H2 TYR 1 H2 TYR 1 45.796 1.812 -48.010 3 H3 TYR 1 H3 TYR 1 44.138 1.506 -48.131 4 HA TYR 1 HA TYR 1 43.873 1.078 -45.938 5 1HB TYR 1 1HB TYR 1 45.536 -0.482 -47.000 6 2HB TYR 1 2HB TYR 1 46.820 0.488 -46.287 7 HD1 TYR 1 HD1 TYR 1 46.778 0.757 -43.713 8 HD2 TYR 1 HD2 TYR 1 44.612 -2.254 -45.800 9 HE1 TYR 1 HE1 TYR 1 46.634 -0.565 -41.644 10 HE2 TYR 1 HE2 TYR 1 44.462 -3.583 -43.737 11 HH TYR 1 HH TYR 1 46.082 -2.556 -40.765 12 H GLY 2 H GLY 2 43.766 2.025 -44.000 13 1HA GLY 2 1HA GLY 2 45.999 3.429 -42.847 14 2HA GLY 2 2HA GLY 2 44.713 4.502 -43.381 15 H HIS 3 H HIS 3 44.357 1.270 -42.013 16 HA HIS 3 HA HIS 3 42.314 2.031 -40.244 17 1HB HIS 3 1HB HIS 3 44.018 -0.397 -40.594 18 2HB HIS 3 2HB HIS 3 43.069 -0.245 -39.119 19 HD1 HIS 3 HD1 HIS 3 42.826 -1.240 -42.619 20 HD2 HIS 3 HD2 HIS 3 40.205 -0.017 -39.636 21 HE1 HIS 3 HE1 HIS 3 40.538 -1.914 -43.416 22 HE2 HIS 3 HE2 HIS 3 38.979 -1.243 -41.555 23 H CYS 4 H CYS 4 42.314 2.798 -38.220 24 HA CYS 4 HA CYS 4 44.925 3.205 -36.923 25 1HB CYS 4 1HB CYS 4 43.252 4.800 -35.507 26 2HB CYS 4 2HB CYS 4 44.156 5.332 -36.915 27 H VAL 5 H VAL 5 45.387 1.991 -35.227 28 HA VAL 5 HA VAL 5 43.177 0.704 -33.768 29 HB VAL 5 HB VAL 5 46.057 -0.155 -33.638 30 1HG1 VAL 5 1HG1 VAL 5 43.416 -1.333 -32.880 31 2HG1 VAL 5 2HG1 VAL 5 44.789 -2.383 -33.234 32 3HG1 VAL 5 3HG1 VAL 5 44.898 -1.198 -31.931 33 1HG2 VAL 5 1HG2 VAL 5 44.590 -0.147 -35.979 34 2HG2 VAL 5 2HG2 VAL 5 45.996 -1.155 -35.633 35 3HG2 VAL 5 3HG2 VAL 5 44.371 -1.782 -35.356 36 H THR 6 H THR 6 43.507 0.373 -31.434 37 HA THR 6 HA THR 6 45.134 2.504 -30.212 38 HB THR 6 HB THR 6 43.208 3.477 -29.592 39 HG1 THR 6 HG1 THR 6 43.659 2.664 -27.584 40 1HG2 THR 6 1HG2 THR 6 41.908 0.864 -30.304 41 2HG2 THR 6 2HG2 THR 6 41.003 2.177 -29.553 42 3HG2 THR 6 3HG2 THR 6 41.773 2.420 -31.120 43 H ASP 7 H ASP 7 43.052 0.045 -28.744 44 HA ASP 7 HA ASP 7 45.283 -0.821 -27.092 45 1HB ASP 7 1HB ASP 7 43.300 -0.502 -25.846 46 2HB ASP 7 2HB ASP 7 42.318 -1.352 -27.036 47 H SER 8 H SER 8 42.727 -2.984 -28.107 48 HA SER 8 HA SER 8 44.321 -4.397 -30.022 49 1HB SER 8 1HB SER 8 45.271 -5.090 -27.759 50 2HB SER 8 2HB SER 8 43.727 -5.888 -27.464 51 HG SER 8 HG SER 8 44.705 -7.482 -28.449 52 H GLY 9 H GLY 9 42.403 -3.988 -31.235 53 1HA GLY 9 1HA GLY 9 40.723 -5.944 -31.811 54 2HA GLY 9 2HA GLY 9 39.960 -5.329 -30.355 55 H VAL 10 H VAL 10 40.253 -2.634 -30.624 56 HA VAL 10 HA VAL 10 38.279 -2.060 -32.640 57 HB VAL 10 HB VAL 10 39.679 0.033 -31.003 58 1HG1 VAL 10 1HG1 VAL 10 37.289 -0.148 -32.662 59 2HG1 VAL 10 2HG1 VAL 10 36.989 0.575 -31.082 60 3HG1 VAL 10 3HG1 VAL 10 38.210 1.267 -32.151 61 1HG2 VAL 10 1HG2 VAL 10 37.897 -2.128 -30.064 62 2HG2 VAL 10 2HG2 VAL 10 39.133 -1.218 -29.197 63 3HG2 VAL 10 3HG2 VAL 10 37.544 -0.505 -29.473 64 H VAL 11 H VAL 11 39.199 -2.258 -34.648 65 HA VAL 11 HA VAL 11 41.625 -0.753 -35.254 66 HB VAL 11 HB VAL 11 40.049 -2.490 -37.150 67 1HG1 VAL 11 1HG1 VAL 11 42.477 -0.915 -37.323 68 2HG1 VAL 11 2HG1 VAL 11 42.746 -2.603 -37.759 69 3HG1 VAL 11 3HG1 VAL 11 41.520 -1.658 -38.603 70 1HG2 VAL 11 1HG2 VAL 11 41.287 -3.365 -34.825 71 2HG2 VAL 11 2HG2 VAL 11 40.837 -4.353 -36.215 72 3HG2 VAL 11 3HG2 VAL 11 42.466 -3.687 -36.097 73 H TYR 12 H TYR 12 40.668 1.343 -35.045 74 HA TYR 12 HA TYR 12 38.444 2.261 -36.475 75 1HB TYR 12 1HB TYR 12 40.909 3.735 -35.528 76 2HB TYR 12 2HB TYR 12 39.476 4.531 -36.167 77 HD1 TYR 12 HD1 TYR 12 37.241 4.006 -34.948 78 HD2 TYR 12 HD2 TYR 12 41.087 3.321 -33.270 79 HE1 TYR 12 HE1 TYR 12 36.246 3.995 -32.697 80 HE2 TYR 12 HE2 TYR 12 40.106 3.307 -31.011 81 HH TYR 12 HH TYR 12 36.810 3.048 -30.440 82 H SER 13 H SER 13 39.051 4.349 -38.003 83 HA SER 13 HA SER 13 40.912 3.463 -40.076 84 1HB SER 13 1HB SER 13 37.961 3.816 -40.380 85 2HB SER 13 2HB SER 13 39.006 4.301 -41.715 86 HG SER 13 HG SER 13 38.217 2.039 -41.668 87 H VAL 14 H VAL 14 42.162 5.070 -40.716 88 HA VAL 14 HA VAL 14 42.609 7.441 -39.735 89 HB VAL 14 HB VAL 14 43.879 6.747 -41.637 90 1HG1 VAL 14 1HG1 VAL 14 41.348 6.336 -42.822 91 2HG1 VAL 14 2HG1 VAL 14 42.213 7.499 -43.826 92 3HG1 VAL 14 3HG1 VAL 14 42.936 5.930 -43.471 93 1HG2 VAL 14 1HG2 VAL 14 42.844 9.389 -41.354 94 2HG2 VAL 14 2HG2 VAL 14 44.432 8.877 -41.925 95 3HG2 VAL 14 3HG2 VAL 14 43.099 9.056 -43.067 96 H GLY 15 H GLY 15 40.730 8.328 -38.787 97 1HA GLY 15 1HA GLY 15 39.619 10.530 -39.294 98 2HA GLY 15 2HA GLY 15 38.943 9.708 -40.690 99 H MET 16 H MET 16 39.254 7.953 -37.710 100 HA MET 16 HA MET 16 36.365 8.289 -37.243 101 1HB MET 16 1HB MET 16 37.648 5.961 -38.067 102 2HB MET 16 2HB MET 16 37.415 5.734 -36.339 103 1HG MET 16 1HG MET 16 35.030 6.790 -37.542 104 2HG MET 16 2HG MET 16 35.556 5.331 -38.380 105 1HE MET 16 1HE MET 16 36.216 3.209 -37.235 106 2HE MET 16 2HE MET 16 35.233 2.525 -35.940 107 3HE MET 16 3HE MET 16 34.486 2.965 -37.476 108 H GLN 17 H GLN 17 36.260 9.521 -35.467 109 HA GLN 17 HA GLN 17 38.186 9.339 -33.342 110 1HB GLN 17 1HB GLN 17 35.539 10.764 -33.184 111 2HB GLN 17 2HB GLN 17 37.032 11.142 -32.339 112 1HG GLN 17 1HG GLN 17 38.055 11.863 -34.413 113 2HG GLN 17 2HG GLN 17 36.600 11.420 -35.305 114 2HE2 GLN 17 1HE2 GLN 17 34.666 12.372 -33.567 115 1HE2 GLN 17 2HE2 GLN 17 34.752 14.097 -33.520 116 H TRP 18 H TRP 18 37.256 9.214 -31.006 117 HA TRP 18 HA TRP 18 34.975 7.579 -30.558 118 1HB TRP 18 1HB TRP 18 36.075 5.537 -29.830 119 2HB TRP 18 2HB TRP 18 36.497 5.874 -31.507 120 HD1 TRP 18 HD1 TRP 18 38.011 5.959 -27.976 121 HE1 TRP 18 HE1 TRP 18 40.565 5.926 -28.191 122 HE3 TRP 18 HE3 TRP 18 38.398 6.384 -33.054 123 HZ2 TRP 18 HZ2 TRP 18 42.507 6.076 -30.246 124 HZ3 TRP 18 HZ3 TRP 18 40.640 6.431 -34.067 125 HH2 TRP 18 HH2 TRP 18 42.649 6.276 -32.692 126 H LEU 19 H LEU 19 35.498 6.401 -28.206 127 HA LEU 19 HA LEU 19 36.340 8.631 -26.474 128 1HB LEU 19 1HB LEU 19 34.369 6.438 -25.821 129 2HB LEU 19 2HB LEU 19 34.771 7.812 -24.812 130 HG LEU 19 HG LEU 19 32.589 8.074 -25.890 131 1HD1 LEU 19 1HD1 LEU 19 33.936 10.054 -25.353 132 2HD1 LEU 19 2HD1 LEU 19 34.634 10.004 -26.972 133 3HD1 LEU 19 3HD1 LEU 19 32.908 10.309 -26.765 134 1HD2 LEU 19 1HD2 LEU 19 33.378 6.770 -27.968 135 2HD2 LEU 19 2HD2 LEU 19 32.249 8.107 -28.186 136 3HD2 LEU 19 3HD2 LEU 19 33.960 8.333 -28.533 137 H LYS 20 H LYS 20 38.303 8.211 -25.667 138 HA LYS 20 HA LYS 20 39.017 5.435 -25.049 139 1HB LYS 20 2HB LYS 20 40.495 6.994 -26.458 140 2HB LYS 20 1HB LYS 20 41.267 6.060 -25.183 141 1HG LYS 20 1HG LYS 20 40.466 8.957 -25.029 142 2HG LYS 20 2HG LYS 20 41.195 8.026 -23.718 143 1HD LYS 20 1HD LYS 20 42.619 7.973 -26.302 144 2HD LYS 20 2HD LYS 20 42.605 9.520 -25.453 145 1HE LYS 20 1HE LYS 20 44.171 8.800 -24.055 146 2HE LYS 20 2HE LYS 20 43.143 7.452 -23.570 147 1HZ LYS 20 1HZ LYS 20 44.713 7.325 -26.065 148 2HZ LYS 20 2HZ LYS 20 45.429 6.953 -24.579 149 3HZ LYS 20 3HZ LYS 20 44.103 6.056 -25.127 150 H THR 21 H THR 21 40.232 5.017 -23.048 151 HA THR 21 HA THR 21 39.430 6.807 -20.849 152 HB THR 21 HB THR 21 39.560 4.278 -19.708 153 HG1 THR 21 HG1 THR 21 38.123 3.058 -21.044 154 1HG2 THR 21 1HG2 THR 21 37.267 6.021 -20.575 155 2HG2 THR 21 2HG2 THR 21 37.022 4.534 -19.658 156 3HG2 THR 21 3HG2 THR 21 37.968 5.851 -18.966 157 H GLN 22 H GLN 22 40.981 7.299 -19.409 158 HA GLN 22 HA GLN 22 43.659 6.304 -19.899 159 1HB GLN 22 2HB GLN 22 44.402 8.044 -18.414 160 2HB GLN 22 1HB GLN 22 42.769 8.297 -17.813 161 1HG GLN 22 1HG GLN 22 42.580 8.665 -20.564 162 2HG GLN 22 2HG GLN 22 42.550 9.905 -19.311 163 2HE2 GLN 22 1HE2 GLN 22 44.028 8.945 -22.086 164 1HE2 GLN 22 2HE2 GLN 22 45.512 9.816 -21.940 165 H GLY 23 H GLY 23 41.182 5.040 -18.274 166 1HA GLY 23 1HA GLY 23 41.487 3.074 -16.944 167 2HA GLY 23 2HA GLY 23 42.970 3.773 -16.313 168 H ASN 24 H ASN 24 41.768 6.381 -15.813 169 HA ASN 24 HA ASN 24 40.027 5.674 -13.542 170 1HB ASN 24 1HB ASN 24 41.326 8.135 -12.986 171 2HB ASN 24 2HB ASN 24 41.514 6.596 -12.152 172 2HD2 ASN 24 1HD2 ASN 24 42.883 8.833 -14.365 173 1HD2 ASN 24 2HD2 ASN 24 44.396 8.029 -14.585 174 H LYS 25 H LYS 25 40.621 7.794 -16.224 175 HA LYS 25 HA LYS 25 38.021 9.070 -15.723 176 1HB LYS 25 2HB LYS 25 40.001 10.566 -15.167 177 2HB LYS 25 1HB LYS 25 38.816 11.218 -16.291 178 1HG LYS 25 1HG LYS 25 40.651 9.954 -17.927 179 2HG LYS 25 2HG LYS 25 40.520 11.689 -17.629 180 1HD LYS 25 1HD LYS 25 42.197 9.769 -16.014 181 2HD LYS 25 2HD LYS 25 42.809 10.836 -17.280 182 1HE LYS 25 1HE LYS 25 41.483 12.612 -15.739 183 2HE LYS 25 2HE LYS 25 41.981 11.443 -14.517 184 1HZ LYS 25 1HZ LYS 25 44.276 11.661 -15.519 185 2HZ LYS 25 2HZ LYS 25 43.695 13.023 -16.338 186 3HZ LYS 25 3HZ LYS 25 43.709 12.994 -14.647 187 H GLN 26 H GLN 26 38.087 10.695 -18.041 188 HA GLN 26 HA GLN 26 38.052 8.654 -20.167 189 1HB GLN 26 1HB GLN 26 35.923 10.263 -19.162 190 2HB GLN 26 2HB GLN 26 36.268 10.777 -20.808 191 1HG GLN 26 1HG GLN 26 36.014 8.477 -21.584 192 2HG GLN 26 2HG GLN 26 35.668 7.960 -19.933 193 2HE2 GLN 26 1HE2 GLN 26 34.551 10.160 -22.464 194 1HE2 GLN 26 2HE2 GLN 26 32.875 10.062 -22.056 195 H MET 27 H MET 27 37.949 9.780 -22.406 196 HA MET 27 HA MET 27 39.112 12.318 -22.780 197 1HB MET 27 1HB MET 27 40.971 10.384 -21.990 198 2HB MET 27 2HB MET 27 41.178 10.527 -23.730 199 1HG MET 27 1HG MET 27 41.251 13.060 -23.297 200 2HG MET 27 2HG MET 27 41.523 12.612 -21.615 201 1HE MET 27 1HE MET 27 43.553 12.210 -20.620 202 2HE MET 27 2HE MET 27 45.137 12.271 -21.393 203 3HE MET 27 3HE MET 27 44.091 13.691 -21.414 204 H LEU 28 H LEU 28 39.102 12.918 -24.927 205 HA LEU 28 HA LEU 28 37.781 11.038 -26.725 206 1HB LEU 28 1HB LEU 28 37.136 13.515 -26.353 207 2HB LEU 28 2HB LEU 28 38.503 13.875 -27.391 208 HG LEU 28 HG LEU 28 37.079 11.954 -28.803 209 1HD1 LEU 28 1HD1 LEU 28 35.199 13.905 -27.484 210 2HD1 LEU 28 2HD1 LEU 28 34.799 12.931 -28.899 211 3HD1 LEU 28 3HD1 LEU 28 35.169 12.146 -27.363 212 1HD2 LEU 28 1HD2 LEU 28 37.832 14.735 -29.020 213 2HD2 LEU 28 2HD2 LEU 28 37.699 13.503 -30.275 214 3HD2 LEU 28 3HD2 LEU 28 36.276 14.427 -29.792 215 H CYS 29 H CYS 29 38.882 9.878 -28.183 216 HA CYS 29 HA CYS 29 41.520 10.884 -29.010 217 1HB CYS 29 1HB CYS 29 41.414 8.791 -27.504 218 2HB CYS 29 2HB CYS 29 40.864 7.967 -28.958 219 H THR 30 H THR 30 42.021 10.966 -31.079 220 HA THR 30 HA THR 30 40.173 9.760 -33.033 221 HB THR 30 HB THR 30 41.308 12.561 -33.168 222 HG1 THR 30 HG1 THR 30 38.875 11.490 -32.391 223 1HG2 THR 30 1HG2 THR 30 39.755 10.928 -35.167 224 2HG2 THR 30 2HG2 THR 30 39.846 12.687 -35.236 225 3HG2 THR 30 3HG2 THR 30 41.315 11.721 -35.388 226 H CYS 31 H CYS 31 41.099 9.271 -35.086 227 HA CYS 31 HA CYS 31 44.034 9.082 -35.008 228 1HB CYS 31 2HB CYS 31 42.963 6.893 -34.941 229 2HB CYS 31 1HB CYS 31 43.828 7.110 -36.459 230 H LEU 32 H LEU 32 44.609 10.924 -36.066 231 HA LEU 32 HA LEU 32 43.335 11.710 -38.525 232 1HB LEU 32 1HB LEU 32 45.228 13.442 -38.477 233 2HB LEU 32 2HB LEU 32 44.035 13.502 -37.199 234 HG LEU 32 HG LEU 32 46.359 11.847 -36.560 235 1HD1 LEU 32 1HD1 LEU 32 46.678 14.650 -37.445 236 2HD1 LEU 32 2HD1 LEU 32 47.547 14.145 -35.996 237 3HD1 LEU 32 3HD1 LEU 32 47.806 13.297 -37.520 238 1HD2 LEU 32 1HD2 LEU 32 44.796 14.038 -35.218 239 2HD2 LEU 32 2HD2 LEU 32 44.785 12.313 -34.852 240 3HD2 LEU 32 3HD2 LEU 32 46.212 13.284 -34.487 241 H GLY 33 H GLY 33 45.642 12.608 -39.960 242 1HA GLY 33 1HA GLY 33 46.306 10.169 -41.311 243 2HA GLY 33 2HA GLY 33 46.851 11.780 -41.743 244 H ASN 34 H ASN 34 47.992 12.321 -39.104 245 HA ASN 34 HA ASN 34 50.560 11.142 -39.571 246 1HB ASN 34 1HB ASN 34 51.388 12.754 -38.179 247 2HB ASN 34 2HB ASN 34 49.840 13.506 -38.546 248 2HD2 ASN 34 1HD2 ASN 34 51.651 13.684 -36.205 249 1HD2 ASN 34 2HD2 ASN 34 50.660 13.318 -34.838 250 H GLY 35 H GLY 35 47.855 10.406 -37.559 251 1HA GLY 35 1HA GLY 35 48.486 7.861 -36.901 252 2HA GLY 35 2HA GLY 35 49.359 8.790 -35.692 253 H VAL 36 H VAL 36 48.313 8.992 -33.836 254 HA VAL 36 HA VAL 36 45.430 9.462 -33.880 255 HB VAL 36 HB VAL 36 46.772 7.102 -32.691 256 1HG1 VAL 36 1HG1 VAL 36 44.822 8.765 -31.179 257 2HG1 VAL 36 2HG1 VAL 36 44.671 7.010 -31.098 258 3HG1 VAL 36 3HG1 VAL 36 46.169 7.791 -30.592 259 1HG2 VAL 36 1HG2 VAL 36 45.141 7.186 -34.646 260 2HG2 VAL 36 2HG2 VAL 36 44.852 5.975 -33.396 261 3HG2 VAL 36 3HG2 VAL 36 43.891 7.454 -33.431 262 H SER 37 H SER 37 44.827 11.040 -32.574 263 HA SER 37 HA SER 37 46.530 11.748 -30.287 264 1HB SER 37 1HB SER 37 46.651 13.231 -32.518 265 2HB SER 37 2HB SER 37 45.233 13.974 -31.779 266 HG SER 37 HG SER 37 46.761 15.079 -30.798 267 H CYS 38 H CYS 38 45.414 12.003 -28.451 268 HA CYS 38 HA CYS 38 42.495 12.372 -28.654 269 1HB CYS 38 1HB CYS 38 43.384 11.171 -26.167 270 2HB CYS 38 2HB CYS 38 42.146 10.628 -27.282 271 H GLN 39 H GLN 39 41.503 13.805 -27.329 272 HA GLN 39 HA GLN 39 43.253 15.425 -25.598 273 1HB GLN 39 1HB GLN 39 42.462 16.544 -27.725 274 2HB GLN 39 2HB GLN 39 40.828 16.437 -27.086 275 1HG GLN 39 1HG GLN 39 42.980 17.741 -25.481 276 2HG GLN 39 2HG GLN 39 42.192 18.617 -26.791 277 2HE2 GLN 39 1HE2 GLN 39 39.627 17.833 -26.624 278 1HE2 GLN 39 2HE2 GLN 39 38.941 18.300 -25.108 279 H GLU 40 H GLU 40 42.494 15.994 -23.603 280 HA GLU 40 HA GLU 40 41.060 14.467 -22.019 281 1HB GLU 40 1HB GLU 40 40.842 17.480 -22.048 282 2HB GLU 40 2HB GLU 40 40.369 16.456 -20.699 283 1HG GLU 40 1HG GLU 40 42.770 15.591 -20.747 284 2HG GLU 40 2HG GLU 40 43.114 16.980 -21.777 285 H THR 41 H THR 41 39.038 13.781 -21.661 286 HA THR 41 HA THR 41 37.072 13.934 -23.602 287 HB THR 41 HB THR 41 37.365 12.500 -21.313 288 HG1 THR 41 HG1 THR 41 36.033 12.207 -23.349 289 1HG2 THR 41 1HG2 THR 41 35.085 14.416 -20.823 290 2HG2 THR 41 2HG2 THR 41 35.291 12.887 -19.968 291 3HG2 THR 41 3HG2 THR 41 36.504 14.157 -19.808 292 H ALA 42 H ALA 42 37.948 16.200 -21.226 293 HA ALA 42 HA ALA 42 37.334 18.441 -21.168 294 1HB ALA 42 1HB ALA 42 36.053 17.838 -23.392 295 2HB ALA 42 2HB ALA 42 34.646 17.936 -22.333 296 3HB ALA 42 3HB ALA 42 35.713 19.328 -22.511 297 H VAL 43 H VAL 43 36.535 16.000 -19.483 298 HA VAL 43 HA VAL 43 35.282 15.516 -17.633 299 HB VAL 43 HB VAL 43 35.247 17.211 -15.942 300 1HG1 VAL 43 1HG1 VAL 43 37.597 16.774 -17.590 301 2HG1 VAL 43 2HG1 VAL 43 37.674 18.289 -16.691 302 3HG1 VAL 43 3HG1 VAL 43 37.429 16.767 -15.835 303 1HG2 VAL 43 1HG2 VAL 43 34.305 18.982 -17.468 304 2HG2 VAL 43 2HG2 VAL 43 35.528 19.532 -16.325 305 3HG2 VAL 43 3HG2 VAL 43 35.956 19.273 -18.015 306 H THR 44 H THR 44 33.340 16.557 -16.205 307 HA THR 44 HA THR 44 31.324 17.972 -17.587 308 HB THR 44 HB THR 44 30.443 15.144 -17.259 309 HG1 THR 44 HG1 THR 44 32.186 14.736 -18.537 310 1HG2 THR 44 1HG2 THR 44 29.717 17.503 -18.963 311 2HG2 THR 44 2HG2 THR 44 29.203 15.877 -19.409 312 3HG2 THR 44 3HG2 THR 44 28.700 16.568 -17.866 313 H GLN 45 H GLN 45 29.333 18.129 -16.363 314 HA GLN 45 HA GLN 45 29.416 17.012 -13.663 315 1HB GLN 45 1HB GLN 45 28.795 19.930 -14.015 316 2HB GLN 45 2HB GLN 45 29.239 19.065 -12.550 317 1HG GLN 45 1HG GLN 45 31.104 19.550 -14.859 318 2HG GLN 45 2HG GLN 45 31.003 20.571 -13.426 319 2HE2 GLN 45 1HE2 GLN 45 33.379 19.781 -13.663 320 1HE2 GLN 45 2HE2 GLN 45 33.783 18.403 -12.702 321 H THR 46 H THR 46 27.299 17.835 -12.472 322 HA THR 46 HA THR 46 25.034 18.183 -14.227 323 HB THR 46 HB THR 46 23.857 16.160 -13.603 324 HG1 THR 46 HG1 THR 46 25.332 14.513 -12.507 325 1HG2 THR 46 1HG2 THR 46 26.638 15.558 -14.618 326 2HG2 THR 46 2HG2 THR 46 25.248 14.481 -14.752 327 3HG2 THR 46 3HG2 THR 46 25.248 16.029 -15.598 328 H TYR 47 H TYR 47 23.070 18.620 -13.100 329 HA TYR 47 HA TYR 47 22.940 18.659 -10.255 330 1HB TYR 47 1HB TYR 47 23.098 20.968 -9.798 331 2HB TYR 47 2HB TYR 47 24.477 20.620 -10.836 332 HD1 TYR 47 HD1 TYR 47 23.718 20.794 -13.487 333 HD2 TYR 47 HD2 TYR 47 22.089 22.986 -10.226 334 HE1 TYR 47 HE1 TYR 47 23.009 22.561 -15.039 335 HE2 TYR 47 HE2 TYR 47 21.369 24.760 -11.770 336 HH TYR 47 HH TYR 47 22.459 24.960 -14.975 337 H GLY 48 H GLY 48 20.865 18.432 -9.741 338 1HA GLY 48 1HA GLY 48 18.576 18.435 -9.901 339 2HA GLY 48 2HA GLY 48 18.751 19.976 -10.725 340 H GLY 49 H GLY 49 18.197 20.085 -12.812 341 1HA GLY 49 1HA GLY 49 17.471 19.431 -14.888 342 2HA GLY 49 2HA GLY 49 18.591 18.087 -14.730 343 H ASN 50 H ASN 50 17.550 16.279 -15.241 344 HA ASN 50 HA ASN 50 14.801 15.922 -14.251 345 1HB ASN 50 1HB ASN 50 15.696 15.723 -16.825 346 2HB ASN 50 2HB ASN 50 15.779 14.045 -16.298 347 2HD2 ASN 50 1HD2 ASN 50 13.873 16.230 -17.767 348 1HD2 ASN 50 2HD2 ASN 50 12.319 15.562 -17.419 349 H SER 51 H SER 51 18.024 14.677 -14.177 350 HA SER 51 HA SER 51 17.096 12.442 -12.494 351 1HB SER 51 1HB SER 51 18.125 11.835 -14.765 352 2HB SER 51 2HB SER 51 19.657 12.385 -14.086 353 HG SER 51 HG SER 51 19.739 10.394 -13.391 354 H ASN 52 H ASN 52 18.036 15.274 -11.939 355 HA ASN 52 HA ASN 52 19.126 16.326 -10.247 356 1HB ASN 52 1HB ASN 52 18.523 14.696 -8.666 357 2HB ASN 52 2HB ASN 52 19.555 13.473 -9.399 358 2HD2 ASN 52 1HD2 ASN 52 20.277 13.195 -7.175 359 1HD2 ASN 52 2HD2 ASN 52 21.534 14.215 -6.574 360 H GLY 53 H GLY 53 21.087 13.546 -11.273 361 1HA GLY 53 1HA GLY 53 22.977 14.729 -12.781 362 2HA GLY 53 2HA GLY 53 23.507 15.130 -11.156 363 H GLU 54 H GLU 54 22.877 12.497 -13.397 364 HA GLU 54 HA GLU 54 24.532 10.745 -11.704 365 1HB GLU 54 1HB GLU 54 22.232 10.153 -13.536 366 2HB GLU 54 2HB GLU 54 23.401 8.906 -13.140 367 1HG GLU 54 1HG GLU 54 22.553 10.215 -10.746 368 2HG GLU 54 2HG GLU 54 21.150 9.692 -11.671 369 HA PRO 55 HA PRO 55 27.677 10.141 -14.708 370 1HB PRO 55 2HB PRO 55 28.468 7.990 -14.579 371 2HB PRO 55 1HB PRO 55 26.906 7.284 -15.006 372 1HG PRO 55 1HG PRO 55 26.951 6.818 -12.728 373 2HG PRO 55 2HG PRO 55 27.879 8.283 -12.356 374 1HD PRO 55 2HD PRO 55 25.790 9.043 -11.735 375 2HD PRO 55 1HD PRO 55 24.955 7.971 -12.876 376 H CYS 56 H CYS 56 27.328 11.072 -16.638 377 HA CYS 56 HA CYS 56 25.169 10.713 -18.327 378 1HB CYS 56 2HB CYS 56 26.406 11.876 -19.993 379 2HB CYS 56 1HB CYS 56 27.945 11.357 -19.312 380 H VAL 57 H VAL 57 25.748 10.009 -20.799 381 HA VAL 57 HA VAL 57 27.155 7.478 -20.879 382 HB VAL 57 HB VAL 57 24.887 6.892 -20.023 383 1HG1 VAL 57 1HG1 VAL 57 23.848 8.756 -21.528 384 2HG1 VAL 57 2HG1 VAL 57 23.781 7.472 -22.733 385 3HG1 VAL 57 3HG1 VAL 57 22.943 7.280 -21.194 386 1HG2 VAL 57 1HG2 VAL 57 26.273 5.308 -21.317 387 2HG2 VAL 57 2HG2 VAL 57 24.544 5.033 -21.529 388 3HG2 VAL 57 3HG2 VAL 57 25.469 5.845 -22.792 389 H LEU 58 H LEU 58 28.054 9.475 -22.270 390 HA LEU 58 HA LEU 58 26.871 9.310 -24.955 391 1HB LEU 58 1HB LEU 58 28.709 11.257 -25.224 392 2HB LEU 58 2HB LEU 58 27.047 11.543 -24.750 393 HG LEU 58 HG LEU 58 28.686 12.776 -23.372 394 1HD1 LEU 58 1HD1 LEU 58 26.452 11.325 -22.557 395 2HD1 LEU 58 2HD1 LEU 58 27.665 11.060 -21.304 396 3HD1 LEU 58 3HD1 LEU 58 27.192 12.701 -21.740 397 1HD2 LEU 58 1HD2 LEU 58 30.072 10.359 -23.393 398 2HD2 LEU 58 2HD2 LEU 58 30.477 11.812 -22.479 399 3HD2 LEU 58 3HD2 LEU 58 29.501 10.546 -21.734 400 HA PRO 59 HA PRO 59 28.072 10.616 -26.844 401 1HB PRO 59 1HB PRO 59 28.157 9.451 -29.293 402 2HB PRO 59 2HB PRO 59 29.462 10.446 -28.645 403 1HG PRO 59 1HG PRO 59 29.226 7.468 -28.736 404 2HG PRO 59 2HG PRO 59 30.634 8.488 -29.085 405 1HD PRO 59 1HD PRO 59 30.326 7.200 -26.732 406 2HD PRO 59 2HD PRO 59 31.141 8.769 -26.855 407 H PHE 60 H PHE 60 25.940 10.717 -27.165 408 HA PHE 60 HA PHE 60 24.448 8.179 -27.314 409 1HB PHE 60 1HB PHE 60 22.542 9.596 -26.347 410 2HB PHE 60 2HB PHE 60 23.865 9.186 -25.259 411 HD1 PHE 60 HD1 PHE 60 22.334 11.871 -27.245 412 HD2 PHE 60 HD2 PHE 60 25.295 10.862 -24.361 413 HE1 PHE 60 HE1 PHE 60 22.664 14.259 -26.753 414 HE2 PHE 60 HE2 PHE 60 25.631 13.247 -23.863 415 HZ PHE 60 HZ PHE 60 24.315 14.950 -25.061 416 H THR 61 H THR 61 22.000 9.017 -28.051 417 HA THR 61 HA THR 61 22.431 10.470 -30.578 418 HB THR 61 HB THR 61 20.260 8.504 -30.655 419 HG1 THR 61 HG1 THR 61 21.897 6.771 -30.979 420 1HG2 THR 61 1HG2 THR 61 22.636 9.102 -32.420 421 2HG2 THR 61 2HG2 THR 61 21.345 7.969 -32.823 422 3HG2 THR 61 3HG2 THR 61 20.985 9.684 -32.635 423 H TYR 62 H TYR 62 21.186 12.209 -30.772 424 HA TYR 62 HA TYR 62 18.497 12.193 -29.637 425 1HB TYR 62 1HB TYR 62 19.885 13.181 -27.881 426 2HB TYR 62 2HB TYR 62 20.534 14.347 -29.032 427 HD1 TYR 62 HD1 TYR 62 17.278 13.200 -27.611 428 HD2 TYR 62 HD2 TYR 62 19.540 16.434 -29.197 429 HE1 TYR 62 HE1 TYR 62 15.436 14.741 -27.080 430 HE2 TYR 62 HE2 TYR 62 17.705 17.983 -28.672 431 HH TYR 62 HH TYR 62 14.932 16.979 -26.799 432 H ASN 63 H ASN 63 17.046 13.163 -30.908 433 HA ASN 63 HA ASN 63 16.128 14.340 -32.622 434 1HB ASN 63 1HB ASN 63 18.103 16.015 -31.621 435 2HB ASN 63 2HB ASN 63 18.423 15.977 -33.351 436 2HD2 ASN 63 1HD2 ASN 63 15.955 16.587 -30.931 437 1HD2 ASN 63 2HD2 ASN 63 15.017 17.672 -31.892 438 H GLY 64 H GLY 64 18.427 12.149 -32.910 439 1HA GLY 64 1HA GLY 64 18.503 10.774 -34.876 440 2HA GLY 64 2HA GLY 64 18.307 12.222 -35.849 441 H ARG 65 H ARG 65 20.457 13.156 -33.597 442 HA ARG 65 HA ARG 65 22.728 12.313 -35.270 443 1HB ARG 65 1HB ARG 65 23.821 14.367 -34.779 444 2HB ARG 65 2HB ARG 65 22.172 14.766 -35.240 445 1HG ARG 65 1HG ARG 65 21.679 14.778 -32.727 446 2HG ARG 65 2HG ARG 65 23.432 14.835 -32.525 447 1HD ARG 65 1HD ARG 65 23.214 17.054 -32.695 448 2HD ARG 65 2HD ARG 65 22.985 16.767 -34.420 449 HE ARG 65 HE ARG 65 20.531 16.539 -33.006 450 1HH1 ARG 65 1HH1 ARG 65 22.811 18.860 -34.249 451 2HH1 ARG 65 2HH1 ARG 65 21.633 20.117 -34.428 452 1HH2 ARG 65 1HH2 ARG 65 18.970 18.189 -33.237 453 2HH2 ARG 65 2HH2 ARG 65 19.450 19.735 -33.851 454 H THR 66 H THR 66 24.744 13.244 -33.522 455 HA THR 66 HA THR 66 24.401 11.627 -31.103 456 HB THR 66 HB THR 66 26.798 11.344 -32.918 457 HG1 THR 66 HG1 THR 66 24.936 9.285 -32.433 458 1HG2 THR 66 1HG2 THR 66 27.002 10.997 -30.377 459 2HG2 THR 66 2HG2 THR 66 26.035 9.546 -30.639 460 3HG2 THR 66 3HG2 THR 66 27.598 9.722 -31.437 461 H PHE 67 H PHE 67 25.793 12.159 -29.387 462 HA PHE 67 HA PHE 67 27.555 14.465 -29.755 463 1HB PHE 67 1HB PHE 67 25.661 14.416 -27.424 464 2HB PHE 67 2HB PHE 67 26.579 15.771 -28.070 465 HD1 PHE 67 HD1 PHE 67 23.976 13.353 -29.246 466 HD2 PHE 67 HD2 PHE 67 25.391 17.369 -29.182 467 HE1 PHE 67 HE1 PHE 67 22.007 14.067 -30.537 468 HE2 PHE 67 HE2 PHE 67 23.425 18.087 -30.473 469 HZ PHE 67 HZ PHE 67 21.729 16.435 -31.151 470 H TYR 68 H TYR 68 29.472 13.835 -29.018 471 HA TYR 68 HA TYR 68 29.842 11.640 -27.261 472 1HB TYR 68 1HB TYR 68 31.652 13.743 -28.416 473 2HB TYR 68 2HB TYR 68 32.250 12.642 -27.182 474 HD1 TYR 68 HD1 TYR 68 29.983 12.060 -30.095 475 HD2 TYR 68 HD2 TYR 68 33.697 11.177 -28.226 476 HE1 TYR 68 HE1 TYR 68 30.444 10.372 -31.822 477 HE2 TYR 68 HE2 TYR 68 34.172 9.490 -29.944 478 HH TYR 68 HH TYR 68 31.839 8.303 -32.050 479 H SER 69 H SER 69 28.935 14.814 -26.663 480 HA SER 69 HA SER 69 29.438 14.460 -23.816 481 1HB SER 69 1HB SER 69 30.170 17.088 -25.086 482 2HB SER 69 2HB SER 69 30.596 16.483 -23.486 483 HG SER 69 HG SER 69 31.750 15.958 -25.958 484 H CYS 70 H CYS 70 28.608 16.781 -22.796 485 HA CYS 70 HA CYS 70 25.841 16.670 -22.933 486 1HB CYS 70 1HB CYS 70 27.613 18.960 -22.064 487 2HB CYS 70 2HB CYS 70 25.894 18.831 -21.724 488 H THR 71 H THR 71 24.494 18.740 -23.411 489 HA THR 71 HA THR 71 25.286 20.424 -25.552 490 HB THR 71 HB THR 71 24.996 18.209 -26.748 491 HG1 THR 71 HG1 THR 71 24.854 19.923 -28.085 492 1HG2 THR 71 1HG2 THR 71 22.546 18.236 -25.327 493 2HG2 THR 71 2HG2 THR 71 22.162 18.376 -27.044 494 3HG2 THR 71 3HG2 THR 71 23.132 17.022 -26.465 495 H THR 72 H THR 72 23.320 21.586 -26.499 496 HA THR 72 HA THR 72 21.177 21.766 -24.487 497 HB THR 72 HB THR 72 21.148 24.280 -25.157 498 HG1 THR 72 HG1 THR 72 23.918 23.900 -25.510 499 1HG2 THR 72 1HG2 THR 72 22.988 22.876 -23.278 500 2HG2 THR 72 2HG2 THR 72 23.147 24.621 -23.472 501 3HG2 THR 72 3HG2 THR 72 21.617 23.928 -22.933 502 H GLU 73 H GLU 73 21.416 20.470 -27.188 503 HA GLU 73 HA GLU 73 19.687 22.026 -28.901 504 1HB GLU 73 1HB GLU 73 20.615 19.166 -29.203 505 2HB GLU 73 2HB GLU 73 19.878 20.160 -30.452 506 1HG GLU 73 1HG GLU 73 22.509 20.752 -29.116 507 2HG GLU 73 2HG GLU 73 22.324 19.948 -30.675 508 H GLY 74 H GLY 74 19.182 20.091 -26.243 509 1HA GLY 74 1HA GLY 74 16.644 18.997 -27.204 510 2HA GLY 74 2HA GLY 74 17.426 18.608 -25.679 511 H ARG 75 H ARG 75 17.660 21.846 -25.859 512 HA ARG 75 HA ARG 75 14.969 22.370 -24.823 513 1HB ARG 75 2HB ARG 75 16.503 21.896 -22.919 514 2HB ARG 75 1HB ARG 75 15.799 23.505 -22.879 515 1HG ARG 75 1HG ARG 75 18.304 23.545 -24.288 516 2HG ARG 75 2HG ARG 75 17.799 24.454 -22.862 517 1HD ARG 75 2HD ARG 75 19.504 23.276 -21.930 518 2HD ARG 75 1HD ARG 75 19.349 21.941 -23.070 519 HE ARG 75 HE ARG 75 18.120 20.873 -21.489 520 1HH1 ARG 75 1HH1 ARG 75 17.767 24.303 -20.997 521 2HH1 ARG 75 2HH1 ARG 75 16.737 24.130 -19.616 522 1HH2 ARG 75 1HH2 ARG 75 16.763 20.634 -19.673 523 2HH2 ARG 75 2HH2 ARG 75 16.167 22.043 -18.862 524 H GLN 76 H GLN 76 15.065 24.940 -24.170 525 HA GLN 76 HA GLN 76 16.204 26.319 -26.509 526 1HB GLN 76 1HB GLN 76 13.592 27.163 -25.305 527 2HB GLN 76 2HB GLN 76 14.225 27.487 -26.913 528 1HG GLN 76 1HG GLN 76 14.022 24.727 -26.802 529 2HG GLN 76 2HG GLN 76 12.577 25.309 -25.976 530 2HE2 GLN 76 1HE2 GLN 76 12.220 23.953 -28.243 531 1HE2 GLN 76 2HE2 GLN 76 11.749 25.002 -29.532 532 H ASP 77 H ASP 77 16.716 26.007 -23.441 533 HA ASP 77 HA ASP 77 16.677 28.825 -22.678 534 1HB ASP 77 1HB ASP 77 16.424 26.385 -21.255 535 2HB ASP 77 2HB ASP 77 17.897 27.166 -20.691 536 H GLY 78 H GLY 78 19.036 26.163 -22.539 537 1HA GLY 78 1HA GLY 78 21.132 26.695 -23.880 538 2HA GLY 78 2HA GLY 78 21.162 28.170 -22.929 539 H HIS 79 H HIS 79 20.197 25.092 -21.564 540 HA HIS 79 HA HIS 79 22.627 25.159 -19.908 541 1HB HIS 79 1HB HIS 79 20.268 23.486 -19.172 542 2HB HIS 79 2HB HIS 79 21.424 24.315 -18.134 543 HD1 HIS 79 HD1 HIS 79 18.125 24.441 -18.296 544 HD2 HIS 79 HD2 HIS 79 20.905 27.374 -19.257 545 HE1 HIS 79 HE1 HIS 79 16.892 26.623 -18.111 546 HE2 HIS 79 HE2 HIS 79 18.618 28.389 -18.606 547 H LEU 80 H LEU 80 24.120 23.676 -20.290 548 HA LEU 80 HA LEU 80 23.848 21.635 -22.194 549 1HB LEU 80 1HB LEU 80 25.862 22.250 -20.063 550 2HB LEU 80 2HB LEU 80 25.972 20.748 -20.958 551 HG LEU 80 HG LEU 80 26.244 21.936 -23.042 552 1HD1 LEU 80 1HD1 LEU 80 25.797 24.412 -21.385 553 2HD1 LEU 80 2HD1 LEU 80 26.425 24.420 -23.032 554 3HD1 LEU 80 3HD1 LEU 80 24.800 23.813 -22.711 555 1HD2 LEU 80 1HD2 LEU 80 27.998 22.686 -20.747 556 2HD2 LEU 80 2HD2 LEU 80 28.331 21.631 -22.120 557 3HD2 LEU 80 3HD2 LEU 80 28.302 23.380 -22.339 558 H TRP 81 H TRP 81 23.446 19.475 -22.054 559 HA TRP 81 HA TRP 81 23.043 18.248 -19.450 560 1HB TRP 81 1HB TRP 81 20.797 17.397 -20.083 561 2HB TRP 81 2HB TRP 81 20.840 19.148 -19.912 562 HD1 TRP 81 HD1 TRP 81 20.334 20.601 -22.052 563 HE1 TRP 81 HE1 TRP 81 19.454 20.026 -24.402 564 HE3 TRP 81 HE3 TRP 81 20.897 15.521 -21.913 565 HZ2 TRP 81 HZ2 TRP 81 19.051 17.725 -25.986 566 HZ3 TRP 81 HZ3 TRP 81 20.240 14.207 -23.886 567 HH2 TRP 81 HH2 TRP 81 19.335 15.287 -25.880 568 H CYS 82 H CYS 82 23.363 16.053 -19.441 569 HA CYS 82 HA CYS 82 24.104 14.852 -22.027 570 1HB CYS 82 1HB CYS 82 25.659 13.410 -20.768 571 2HB CYS 82 2HB CYS 82 26.041 15.115 -20.568 572 H SER 83 H SER 83 23.935 12.417 -22.019 573 HA SER 83 HA SER 83 21.302 11.698 -21.003 574 1HB SER 83 1HB SER 83 21.523 9.733 -22.497 575 2HB SER 83 2HB SER 83 21.756 11.254 -23.357 576 HG SER 83 HG SER 83 24.121 10.485 -22.469 577 H THR 84 H THR 84 20.889 9.877 -19.739 578 HA THR 84 HA THR 84 23.224 8.875 -18.249 579 HB THR 84 HB THR 84 21.726 8.413 -16.389 580 HG1 THR 84 HG1 THR 84 19.635 9.613 -17.896 581 1HG2 THR 84 1HG2 THR 84 21.540 11.186 -17.549 582 2HG2 THR 84 2HG2 THR 84 20.913 10.784 -15.951 583 3HG2 THR 84 3HG2 THR 84 22.633 10.596 -16.296 584 H THR 85 H THR 85 20.795 8.016 -20.435 585 HA THR 85 HA THR 85 21.391 5.165 -20.031 586 HB THR 85 HB THR 85 18.677 6.419 -20.426 587 HG1 THR 85 HG1 THR 85 20.009 5.228 -18.381 588 1HG2 THR 85 1HG2 THR 85 19.649 3.941 -21.536 589 2HG2 THR 85 2HG2 THR 85 18.364 3.639 -20.366 590 3HG2 THR 85 3HG2 THR 85 18.077 4.715 -21.733 591 H SER 86 H SER 86 21.841 4.054 -21.862 592 HA SER 86 HA SER 86 22.636 5.247 -24.181 593 1HB SER 86 1HB SER 86 22.379 2.616 -23.289 594 2HB SER 86 2HB SER 86 21.428 2.668 -24.773 595 HG SER 86 HG SER 86 24.071 3.672 -24.585 596 H ASN 87 H ASN 87 19.420 3.959 -23.457 597 HA ASN 87 HA ASN 87 18.388 5.045 -25.967 598 1HB ASN 87 1HB ASN 87 17.784 2.753 -24.474 599 2HB ASN 87 2HB ASN 87 16.398 3.818 -24.253 600 2HD2 ASN 87 1HD2 ASN 87 15.130 2.349 -25.434 601 1HD2 ASN 87 2HD2 ASN 87 15.214 2.278 -27.158 602 H TYR 88 H TYR 88 18.596 7.271 -25.370 603 HA TYR 88 HA TYR 88 17.193 8.296 -23.084 604 1HB TYR 88 1HB TYR 88 19.065 9.578 -23.682 605 2HB TYR 88 2HB TYR 88 18.655 9.547 -25.394 606 HD1 TYR 88 HD1 TYR 88 16.906 11.029 -26.279 607 HD2 TYR 88 HD2 TYR 88 18.095 11.206 -22.198 608 HE1 TYR 88 HE1 TYR 88 15.806 13.217 -26.060 609 HE2 TYR 88 HE2 TYR 88 16.998 13.395 -21.968 610 HH TYR 88 HH TYR 88 16.271 15.340 -24.275 611 H GLU 89 H GLU 89 16.477 7.704 -26.420 612 HA GLU 89 HA GLU 89 14.239 9.444 -26.630 613 1HB GLU 89 1HB GLU 89 15.319 7.167 -28.235 614 2HB GLU 89 2HB GLU 89 13.678 7.717 -28.547 615 1HG GLU 89 1HG GLU 89 14.428 9.889 -29.137 616 2HG GLU 89 2HG GLU 89 16.059 9.549 -28.562 617 H GLN 90 H GLN 90 14.738 6.543 -24.989 618 HA GLN 90 HA GLN 90 11.855 5.966 -24.914 619 1HB GLN 90 1HB GLN 90 12.744 3.952 -25.548 620 2HB GLN 90 2HB GLN 90 14.282 4.258 -24.755 621 1HG GLN 90 1HG GLN 90 13.232 2.460 -23.621 622 2HG GLN 90 2HG GLN 90 13.147 3.874 -22.568 623 2HE2 GLN 90 1HE2 GLN 90 11.376 1.577 -24.427 624 1HE2 GLN 90 2HE2 GLN 90 9.795 2.069 -23.929 625 H ASP 91 H ASP 91 14.751 6.159 -22.879 626 HA ASP 91 HA ASP 91 13.205 6.127 -20.445 627 1HB ASP 91 1HB ASP 91 16.011 5.927 -21.179 628 2HB ASP 91 2HB ASP 91 15.774 7.007 -19.808 629 H GLN 92 H GLN 92 15.063 8.509 -22.287 630 HA GLN 92 HA GLN 92 14.887 10.780 -22.413 631 1HB GLN 92 1HB GLN 92 12.328 9.951 -21.472 632 2HB GLN 92 2HB GLN 92 12.796 11.391 -20.577 633 1HG GLN 92 1HG GLN 92 11.921 12.490 -22.309 634 2HG GLN 92 2HG GLN 92 13.448 12.113 -23.107 635 2HE2 GLN 92 1HE2 GLN 92 13.348 9.677 -23.944 636 1HE2 GLN 92 2HE2 GLN 92 11.981 9.357 -24.951 637 H LYS 93 H LYS 93 16.079 9.148 -20.047 638 HA LYS 93 HA LYS 93 16.120 11.097 -17.917 639 1HB LYS 93 1HB LYS 93 17.427 8.427 -18.348 640 2HB LYS 93 2HB LYS 93 17.927 9.469 -17.022 641 1HG LYS 93 1HG LYS 93 16.166 7.666 -16.560 642 2HG LYS 93 2HG LYS 93 15.875 9.295 -15.946 643 1HD LYS 93 1HD LYS 93 14.224 9.730 -17.503 644 2HD LYS 93 2HD LYS 93 14.836 8.527 -18.637 645 1HE LYS 93 1HE LYS 93 13.808 6.785 -17.560 646 2HE LYS 93 2HE LYS 93 13.821 7.602 -15.998 647 1HZ LYS 93 1HZ LYS 93 12.150 8.622 -18.202 648 2HZ LYS 93 2HZ LYS 93 11.606 7.341 -17.240 649 3HZ LYS 93 3HZ LYS 93 11.960 8.837 -16.535 650 H TYR 94 H TYR 94 17.390 12.811 -17.886 651 HA TYR 94 HA TYR 94 20.092 12.626 -18.981 652 1HB TYR 94 1HB TYR 94 19.911 14.475 -20.411 653 2HB TYR 94 2HB TYR 94 18.434 13.565 -20.709 654 HD1 TYR 94 HD1 TYR 94 19.718 16.377 -18.609 655 HD2 TYR 94 HD2 TYR 94 16.402 14.678 -20.665 656 HE1 TYR 94 HE1 TYR 94 18.386 18.385 -18.107 657 HE2 TYR 94 HE2 TYR 94 15.063 16.680 -20.170 658 HH TYR 94 HH TYR 94 15.204 18.870 -19.489 659 H SER 95 H SER 95 21.509 14.332 -18.281 660 HA SER 95 HA SER 95 20.571 15.769 -15.889 661 1HB SER 95 1HB SER 95 23.222 15.336 -15.348 662 2HB SER 95 2HB SER 95 21.898 14.360 -14.712 663 HG SER 95 HG SER 95 22.260 12.848 -16.266 664 H PHE 96 H PHE 96 21.633 17.765 -15.458 665 HA PHE 96 HA PHE 96 22.392 19.168 -17.833 666 1HB PHE 96 1HB PHE 96 22.156 19.957 -14.939 667 2HB PHE 96 2HB PHE 96 22.784 21.069 -16.150 668 HD1 PHE 96 HD1 PHE 96 21.024 20.302 -18.444 669 HD2 PHE 96 HD2 PHE 96 20.157 21.000 -14.337 670 HE1 PHE 96 HE1 PHE 96 18.725 20.940 -19.045 671 HE2 PHE 96 HE2 PHE 96 17.853 21.637 -14.929 672 HZ PHE 96 HZ PHE 96 17.136 21.606 -17.286 673 H CYS 97 H CYS 97 24.305 20.851 -17.411 674 HA CYS 97 HA CYS 97 26.633 19.667 -16.185 675 1HB CYS 97 1HB CYS 97 26.992 20.289 -19.080 676 2HB CYS 97 2HB CYS 97 27.880 19.167 -18.056 677 H THR 98 H THR 98 26.062 21.738 -15.084 678 HA THR 98 HA THR 98 25.981 24.254 -15.826 679 HB THR 98 HB THR 98 26.387 24.531 -13.654 680 HG1 THR 98 HG1 THR 98 29.132 24.019 -14.228 681 1HG2 THR 98 1HG2 THR 98 27.935 21.940 -13.754 682 2HG2 THR 98 2HG2 THR 98 27.549 22.818 -12.274 683 3HG2 THR 98 3HG2 THR 98 26.252 22.153 -13.268 684 H ASP 99 H ASP 99 28.922 22.332 -16.132 685 HA ASP 99 HA ASP 99 30.789 22.607 -17.405 686 1HB ASP 99 1HB ASP 99 29.002 23.209 -19.133 687 2HB ASP 99 2HB ASP 99 29.394 24.892 -18.794 688 H HIS 100 H HIS 100 29.531 25.934 -17.103 689 HA HIS 100 HA HIS 100 30.358 27.737 -15.952 690 1HB HIS 100 1HB HIS 100 31.608 25.578 -14.630 691 2HB HIS 100 2HB HIS 100 32.878 26.744 -14.985 692 HD1 HIS 100 HD1 HIS 100 29.941 26.170 -12.814 693 HD2 HIS 100 HD2 HIS 100 32.530 29.284 -13.738 694 HE1 HIS 100 HE1 HIS 100 29.578 27.898 -11.025 695 HE2 HIS 100 HE2 HIS 100 31.230 29.728 -11.547 696 H THR 101 H THR 101 32.184 29.281 -16.126 697 HA THR 101 HA THR 101 33.430 29.018 -18.756 698 HB THR 101 HB THR 101 32.146 31.080 -18.223 699 HG1 THR 101 HG1 THR 101 34.889 31.150 -18.883 700 1HG2 THR 101 1HG2 THR 101 33.993 31.096 -15.945 701 2HG2 THR 101 2HG2 THR 101 33.848 32.648 -16.771 702 3HG2 THR 101 3HG2 THR 101 32.412 31.853 -16.127 No H/Q in entry = 702 Start of MODEL 28 1 H1 TYR 1 H1 TYR 1 52.453 9.710 -42.493 2 H2 TYR 1 H2 TYR 1 53.786 9.730 -41.451 3 H3 TYR 1 H3 TYR 1 53.364 8.303 -42.258 4 HA TYR 1 HA TYR 1 52.489 7.866 -40.219 5 1HB TYR 1 1HB TYR 1 52.867 10.639 -39.921 6 2HB TYR 1 2HB TYR 1 51.170 10.350 -39.551 7 HD1 TYR 1 HD1 TYR 1 51.068 7.867 -38.167 8 HD2 TYR 1 HD2 TYR 1 54.084 10.861 -37.978 9 HE1 TYR 1 HE1 TYR 1 51.690 7.091 -35.918 10 HE2 TYR 1 HE2 TYR 1 54.715 10.093 -35.730 11 HH TYR 1 HH TYR 1 54.547 8.095 -34.352 12 H GLY 2 H GLY 2 50.588 6.824 -40.106 13 1HA GLY 2 1HA GLY 2 48.197 8.030 -41.276 14 2HA GLY 2 2HA GLY 2 48.747 6.514 -41.973 15 H HIS 3 H HIS 3 48.658 4.606 -40.716 16 HA HIS 3 HA HIS 3 46.397 4.146 -39.273 17 1HB HIS 3 1HB HIS 3 48.931 2.763 -39.660 18 2HB HIS 3 2HB HIS 3 48.222 2.417 -38.086 19 HD1 HIS 3 HD1 HIS 3 47.803 1.768 -41.710 20 HD2 HIS 3 HD2 HIS 3 45.720 1.070 -38.182 21 HE1 HIS 3 HE1 HIS 3 46.045 0.068 -42.293 22 HE2 HIS 3 HE2 HIS 3 44.872 -0.421 -40.118 23 H CYS 4 H CYS 4 45.927 3.860 -37.033 24 HA CYS 4 HA CYS 4 47.728 5.248 -35.176 25 1HB CYS 4 1HB CYS 4 45.468 6.138 -34.143 26 2HB CYS 4 2HB CYS 4 46.248 6.988 -35.469 27 H VAL 5 H VAL 5 47.175 4.807 -32.880 28 HA VAL 5 HA VAL 5 45.408 2.793 -32.071 29 HB VAL 5 HB VAL 5 46.915 1.369 -33.474 30 1HG1 VAL 5 1HG1 VAL 5 49.011 2.541 -33.021 31 2HG1 VAL 5 2HG1 VAL 5 48.946 2.015 -31.339 32 3HG1 VAL 5 3HG1 VAL 5 49.139 0.827 -32.628 33 1HG2 VAL 5 1HG2 VAL 5 45.762 0.848 -31.038 34 2HG2 VAL 5 2HG2 VAL 5 46.431 -0.358 -32.137 35 3HG2 VAL 5 3HG2 VAL 5 47.415 0.273 -30.817 36 H THR 6 H THR 6 45.516 2.386 -29.841 37 HA THR 6 HA THR 6 46.618 4.440 -28.273 38 HB THR 6 HB THR 6 46.005 2.990 -26.320 39 HG1 THR 6 HG1 THR 6 45.420 0.957 -26.643 40 1HG2 THR 6 1HG2 THR 6 44.383 4.358 -28.087 41 2HG2 THR 6 2HG2 THR 6 43.580 2.796 -27.921 42 3HG2 THR 6 3HG2 THR 6 43.913 3.772 -26.491 43 H ASP 7 H ASP 7 47.579 1.024 -28.588 44 HA ASP 7 HA ASP 7 50.327 1.510 -28.490 45 1HB ASP 7 1HB ASP 7 49.075 1.638 -25.925 46 2HB ASP 7 2HB ASP 7 50.082 0.193 -25.981 47 H SER 8 H SER 8 47.701 -0.684 -27.700 48 HA SER 8 HA SER 8 48.518 -2.698 -29.440 49 1HB SER 8 1HB SER 8 50.406 -3.125 -28.022 50 2HB SER 8 2HB SER 8 49.396 -3.112 -26.577 51 HG SER 8 HG SER 8 49.330 -5.019 -28.678 52 H GLY 9 H GLY 9 46.115 -1.710 -29.173 53 1HA GLY 9 1HA GLY 9 44.565 -3.954 -28.184 54 2HA GLY 9 2HA GLY 9 44.262 -2.427 -27.374 55 H VAL 10 H VAL 10 44.187 -0.583 -29.252 56 HA VAL 10 HA VAL 10 42.146 -1.532 -31.158 57 HB VAL 10 HB VAL 10 42.284 1.221 -29.923 58 1HG1 VAL 10 1HG1 VAL 10 40.266 -0.133 -31.703 59 2HG1 VAL 10 2HG1 VAL 10 39.960 1.374 -30.841 60 3HG1 VAL 10 3HG1 VAL 10 41.229 1.300 -32.063 61 1HG2 VAL 10 1HG2 VAL 10 41.725 -0.718 -28.358 62 2HG2 VAL 10 2HG2 VAL 10 40.575 0.616 -28.432 63 3HG2 VAL 10 3HG2 VAL 10 40.238 -0.887 -29.291 64 H VAL 11 H VAL 11 43.586 -1.825 -32.861 65 HA VAL 11 HA VAL 11 45.470 0.130 -33.690 66 HB VAL 11 HB VAL 11 44.243 -2.002 -35.437 67 1HG1 VAL 11 1HG1 VAL 11 46.170 0.000 -35.898 68 2HG1 VAL 11 2HG1 VAL 11 47.035 -1.537 -35.833 69 3HG1 VAL 11 3HG1 VAL 11 45.701 -1.323 -36.966 70 1HG2 VAL 11 1HG2 VAL 11 45.514 -2.467 -33.032 71 2HG2 VAL 11 2HG2 VAL 11 45.337 -3.621 -34.355 72 3HG2 VAL 11 3HG2 VAL 11 46.804 -2.651 -34.221 73 H TYR 12 H TYR 12 44.093 2.027 -33.627 74 HA TYR 12 HA TYR 12 41.882 2.389 -35.338 75 1HB TYR 12 1HB TYR 12 43.787 4.449 -34.207 76 2HB TYR 12 2HB TYR 12 42.225 4.802 -34.938 77 HD1 TYR 12 HD1 TYR 12 40.153 3.761 -33.825 78 HD2 TYR 12 HD2 TYR 12 43.951 4.023 -31.928 79 HE1 TYR 12 HE1 TYR 12 39.069 3.495 -31.633 80 HE2 TYR 12 HE2 TYR 12 42.878 3.758 -29.729 81 HH TYR 12 HH TYR 12 39.366 3.304 -29.441 82 H SER 13 H SER 13 41.914 4.135 -37.092 83 HA SER 13 HA SER 13 44.341 3.929 -38.735 84 1HB SER 13 1HB SER 13 41.576 3.096 -39.421 85 2HB SER 13 2HB SER 13 42.477 3.949 -40.673 86 HG SER 13 HG SER 13 42.729 1.616 -40.661 87 H VAL 14 H VAL 14 44.916 5.742 -39.816 88 HA VAL 14 HA VAL 14 44.482 8.223 -39.011 89 HB VAL 14 HB VAL 14 46.022 7.851 -40.799 90 1HG1 VAL 14 1HG1 VAL 14 44.357 6.151 -41.890 91 2HG1 VAL 14 2HG1 VAL 14 43.860 7.557 -42.832 92 3HG1 VAL 14 3HG1 VAL 14 45.536 7.010 -42.882 93 1HG2 VAL 14 1HG2 VAL 14 44.987 10.109 -40.592 94 2HG2 VAL 14 2HG2 VAL 14 45.590 9.742 -42.208 95 3HG2 VAL 14 3HG2 VAL 14 43.861 9.658 -41.874 96 H GLY 15 H GLY 15 42.389 8.543 -38.209 97 1HA GLY 15 1HA GLY 15 40.545 10.038 -38.788 98 2HA GLY 15 2HA GLY 15 40.398 9.157 -40.300 99 H MET 16 H MET 16 40.934 7.507 -37.264 100 HA MET 16 HA MET 16 38.209 6.413 -37.473 101 1HB MET 16 1HB MET 16 40.276 4.892 -37.656 102 2HB MET 16 2HB MET 16 40.463 5.156 -35.928 103 1HG MET 16 1HG MET 16 38.801 3.764 -35.413 104 2HG MET 16 2HG MET 16 37.765 4.373 -36.702 105 1HE MET 16 1HE MET 16 39.858 2.002 -35.239 106 2HE MET 16 2HE MET 16 39.171 0.592 -36.048 107 3HE MET 16 3HE MET 16 40.784 1.159 -36.481 108 H GLN 17 H GLN 17 38.044 8.733 -36.325 109 HA GLN 17 HA GLN 17 38.656 9.365 -33.807 110 1HB GLN 17 1HB GLN 17 35.971 9.557 -35.158 111 2HB GLN 17 2HB GLN 17 36.260 10.241 -33.564 112 1HG GLN 17 1HG GLN 17 37.938 11.713 -34.436 113 2HG GLN 17 2HG GLN 17 37.846 10.946 -36.020 114 2HE2 GLN 17 1HE2 GLN 17 35.983 12.789 -33.663 115 1HE2 GLN 17 2HE2 GLN 17 34.953 13.565 -34.813 116 H TRP 18 H TRP 18 38.326 8.703 -31.770 117 HA TRP 18 HA TRP 18 36.269 6.721 -31.187 118 1HB TRP 18 1HB TRP 18 37.745 5.146 -30.176 119 2HB TRP 18 2HB TRP 18 38.411 5.502 -31.767 120 HD1 TRP 18 HD1 TRP 18 39.140 5.938 -28.045 121 HE1 TRP 18 HE1 TRP 18 41.576 6.712 -27.767 122 HE3 TRP 18 HE3 TRP 18 40.288 6.803 -32.953 123 HZ2 TRP 18 HZ2 TRP 18 43.701 7.587 -29.407 124 HZ3 TRP 18 HZ3 TRP 18 42.544 7.607 -33.514 125 HH2 TRP 18 HH2 TRP 18 44.215 7.988 -31.775 126 H LEU 19 H LEU 19 36.726 6.145 -28.628 127 HA LEU 19 HA LEU 19 37.333 8.615 -27.193 128 1HB LEU 19 1HB LEU 19 34.976 8.808 -27.677 129 2HB LEU 19 2HB LEU 19 34.674 7.199 -27.049 130 HG LEU 19 HG LEU 19 35.845 8.472 -24.905 131 1HD1 LEU 19 1HD1 LEU 19 34.632 10.464 -26.670 132 2HD1 LEU 19 2HD1 LEU 19 34.027 10.502 -25.013 133 3HD1 LEU 19 3HD1 LEU 19 35.754 10.666 -25.325 134 1HD2 LEU 19 1HD2 LEU 19 32.977 8.010 -25.675 135 2HD2 LEU 19 2HD2 LEU 19 33.999 7.040 -24.613 136 3HD2 LEU 19 3HD2 LEU 19 33.445 8.630 -24.091 137 H LYS 20 H LYS 20 38.110 8.293 -25.164 138 HA LYS 20 HA LYS 20 38.358 5.489 -24.303 139 1HB LYS 20 1HB LYS 20 40.406 7.045 -24.863 140 2HB LYS 20 2HB LYS 20 40.115 7.662 -23.242 141 1HG LYS 20 1HG LYS 20 41.824 5.784 -23.532 142 2HG LYS 20 2HG LYS 20 40.635 5.632 -22.238 143 1HD LYS 20 1HD LYS 20 41.058 3.558 -23.637 144 2HD LYS 20 2HD LYS 20 39.373 4.047 -23.447 145 1HE LYS 20 2HE LYS 20 40.358 5.390 -25.720 146 2HE LYS 20 1HE LYS 20 39.166 4.092 -25.657 147 1HZ LYS 20 1HZ LYS 20 41.120 2.528 -25.638 148 2HZ LYS 20 2HZ LYS 20 40.858 3.359 -27.088 149 3HZ LYS 20 3HZ LYS 20 42.091 3.853 -26.042 150 H THR 21 H THR 21 37.743 4.884 -22.293 151 HA THR 21 HA THR 21 36.817 6.959 -20.431 152 HB THR 21 HB THR 21 35.236 4.545 -21.314 153 HG1 THR 21 HG1 THR 21 33.828 6.048 -22.068 154 1HG2 THR 21 1HG2 THR 21 35.193 4.789 -18.844 155 2HG2 THR 21 2HG2 THR 21 34.592 6.435 -19.048 156 3HG2 THR 21 3HG2 THR 21 33.621 5.067 -19.593 157 H GLN 22 H GLN 22 37.892 3.649 -20.942 158 HA GLN 22 HA GLN 22 37.988 3.028 -18.136 159 1HB GLN 22 1HB GLN 22 39.173 1.585 -20.514 160 2HB GLN 22 2HB GLN 22 39.097 0.949 -18.876 161 1HG GLN 22 1HG GLN 22 36.563 1.294 -19.078 162 2HG GLN 22 2HG GLN 22 36.866 1.431 -20.809 163 2HE2 GLN 22 1HE2 GLN 22 36.371 -0.392 -21.780 164 1HE2 GLN 22 2HE2 GLN 22 36.719 -1.984 -21.206 165 H GLY 23 H GLY 23 39.962 4.739 -20.279 166 1HA GLY 23 1HA GLY 23 42.535 4.100 -19.323 167 2HA GLY 23 2HA GLY 23 42.080 5.606 -20.109 168 H ASN 24 H ASN 24 40.009 6.112 -18.036 169 HA ASN 24 HA ASN 24 41.303 6.321 -15.513 170 1HB ASN 24 1HB ASN 24 41.287 8.722 -17.327 171 2HB ASN 24 2HB ASN 24 41.285 8.904 -15.575 172 2HD2 ASN 24 1HD2 ASN 24 43.288 9.533 -17.701 173 1HD2 ASN 24 2HD2 ASN 24 44.746 8.777 -17.167 174 H LYS 25 H LYS 25 39.117 8.499 -17.297 175 HA LYS 25 HA LYS 25 36.873 7.564 -15.680 176 1HB LYS 25 2HB LYS 25 36.504 9.482 -14.546 177 2HB LYS 25 1HB LYS 25 36.960 10.491 -15.911 178 1HG LYS 25 2HG LYS 25 39.085 9.035 -14.414 179 2HG LYS 25 1HG LYS 25 38.372 10.490 -13.713 180 1HD LYS 25 1HD LYS 25 39.917 10.198 -16.268 181 2HD LYS 25 2HD LYS 25 38.847 11.575 -15.995 182 1HE LYS 25 1HE LYS 25 40.831 10.863 -13.893 183 2HE LYS 25 2HE LYS 25 41.400 11.674 -15.351 184 1HZ LYS 25 1HZ LYS 25 39.059 12.814 -14.045 185 2HZ LYS 25 2HZ LYS 25 40.533 12.986 -13.234 186 3HZ LYS 25 3HZ LYS 25 40.358 13.587 -14.805 187 H GLN 26 H GLN 26 37.664 10.192 -17.958 188 HA GLN 26 HA GLN 26 35.970 9.082 -19.996 189 1HB GLN 26 1HB GLN 26 34.852 10.936 -18.124 190 2HB GLN 26 2HB GLN 26 34.953 11.717 -19.695 191 1HG GLN 26 1HG GLN 26 33.667 9.043 -19.199 192 2HG GLN 26 2HG GLN 26 32.801 10.577 -19.280 193 2HE2 GLN 26 1HE2 GLN 26 31.906 8.828 -20.965 194 1HE2 GLN 26 2HE2 GLN 26 32.454 9.104 -22.580 195 H MET 27 H MET 27 36.575 9.795 -21.997 196 HA MET 27 HA MET 27 37.724 12.313 -22.527 197 1HB MET 27 1HB MET 27 39.637 11.566 -21.300 198 2HB MET 27 2HB MET 27 39.652 10.025 -22.146 199 1HG MET 27 1HG MET 27 40.014 12.598 -23.629 200 2HG MET 27 2HG MET 27 41.364 11.818 -22.807 201 1HE MET 27 1HE MET 27 42.595 10.246 -23.377 202 2HE MET 27 2HE MET 27 42.037 8.734 -24.095 203 3HE MET 27 3HE MET 27 42.896 9.916 -25.084 204 H LEU 28 H LEU 28 38.035 12.678 -24.697 205 HA LEU 28 HA LEU 28 37.327 10.450 -26.501 206 1HB LEU 28 1HB LEU 28 35.651 12.213 -26.489 207 2HB LEU 28 2HB LEU 28 36.879 13.425 -26.798 208 HG LEU 28 HG LEU 28 37.066 11.517 -28.881 209 1HD1 LEU 28 1HD1 LEU 28 34.249 12.317 -28.204 210 2HD1 LEU 28 2HD1 LEU 28 34.744 11.856 -29.833 211 3HD1 LEU 28 3HD1 LEU 28 34.889 10.701 -28.508 212 1HD2 LEU 28 1HD2 LEU 28 36.472 14.383 -28.520 213 2HD2 LEU 28 2HD2 LEU 28 37.631 13.587 -29.584 214 3HD2 LEU 28 3HD2 LEU 28 35.927 13.666 -30.037 215 H CYS 29 H CYS 29 38.824 9.868 -27.994 216 HA CYS 29 HA CYS 29 41.017 11.761 -28.525 217 1HB CYS 29 1HB CYS 29 41.601 9.796 -27.003 218 2HB CYS 29 2HB CYS 29 41.415 8.785 -28.428 219 H THR 30 H THR 30 42.136 11.482 -30.524 220 HA THR 30 HA THR 30 40.912 9.857 -32.591 221 HB THR 30 HB THR 30 40.813 12.875 -32.729 222 HG1 THR 30 HG1 THR 30 38.935 12.239 -31.843 223 1HG2 THR 30 1HG2 THR 30 41.604 11.900 -34.858 224 2HG2 THR 30 2HG2 THR 30 40.170 10.873 -34.899 225 3HG2 THR 30 3HG2 THR 30 40.003 12.626 -35.007 226 H CYS 31 H CYS 31 42.220 9.605 -34.425 227 HA CYS 31 HA CYS 31 44.973 10.542 -34.046 228 1HB CYS 31 1HB CYS 31 45.544 8.754 -35.716 229 2HB CYS 31 2HB CYS 31 44.862 8.159 -34.211 230 H LEU 32 H LEU 32 45.072 12.518 -34.958 231 HA LEU 32 HA LEU 32 43.851 13.099 -37.501 232 1HB LEU 32 1HB LEU 32 45.191 15.283 -37.141 233 2HB LEU 32 2HB LEU 32 43.870 14.917 -36.051 234 HG LEU 32 HG LEU 32 46.520 13.947 -35.212 235 1HD1 LEU 32 1HD1 LEU 32 46.209 16.636 -36.071 236 2HD1 LEU 32 2HD1 LEU 32 46.365 16.614 -34.314 237 3HD1 LEU 32 3HD1 LEU 32 47.605 15.865 -35.320 238 1HD2 LEU 32 1HD2 LEU 32 44.029 14.241 -34.074 239 2HD2 LEU 32 2HD2 LEU 32 45.536 13.933 -33.210 240 3HD2 LEU 32 3HD2 LEU 32 44.949 15.585 -33.396 241 H GLY 33 H GLY 33 45.881 14.727 -38.648 242 1HA GLY 33 1HA GLY 33 47.435 12.655 -39.937 243 2HA GLY 33 2HA GLY 33 47.354 14.345 -40.406 244 H ASN 34 H ASN 34 47.978 15.078 -37.522 245 HA ASN 34 HA ASN 34 50.872 14.919 -37.844 246 1HB ASN 34 2HB ASN 34 50.867 16.987 -37.000 247 2HB ASN 34 1HB ASN 34 50.147 16.398 -35.507 248 2HD2 ASN 34 1HD2 ASN 34 48.764 18.026 -35.108 249 1HD2 ASN 34 2HD2 ASN 34 47.444 18.458 -36.136 250 H GLY 35 H GLY 35 48.466 13.251 -36.236 251 1HA GLY 35 1HA GLY 35 49.874 11.313 -35.062 252 2HA GLY 35 2HA GLY 35 50.050 12.605 -33.883 253 H VAL 36 H VAL 36 48.837 11.909 -32.214 254 HA VAL 36 HA VAL 36 45.982 11.493 -32.760 255 HB VAL 36 HB VAL 36 47.838 9.665 -31.335 256 1HG1 VAL 36 1HG1 VAL 36 45.254 10.538 -30.187 257 2HG1 VAL 36 2HG1 VAL 36 45.572 8.803 -30.206 258 3HG1 VAL 36 3HG1 VAL 36 46.691 9.895 -29.391 259 1HG2 VAL 36 1HG2 VAL 36 46.815 9.156 -33.514 260 2HG2 VAL 36 2HG2 VAL 36 46.391 7.983 -32.266 261 3HG2 VAL 36 3HG2 VAL 36 45.227 9.215 -32.751 262 H SER 37 H SER 37 44.808 12.936 -31.743 263 HA SER 37 HA SER 37 45.798 14.070 -29.211 264 1HB SER 37 1HB SER 37 45.745 15.932 -30.584 265 2HB SER 37 2HB SER 37 44.408 15.311 -31.551 266 HG SER 37 HG SER 37 43.209 16.538 -30.352 267 H CYS 38 H CYS 38 44.122 14.676 -27.643 268 HA CYS 38 HA CYS 38 41.484 13.551 -28.006 269 1HB CYS 38 1HB CYS 38 42.607 12.488 -25.543 270 2HB CYS 38 2HB CYS 38 41.674 11.677 -26.783 271 H GLN 39 H GLN 39 40.004 14.120 -26.346 272 HA GLN 39 HA GLN 39 40.892 16.432 -24.760 273 1HB GLN 39 1HB GLN 39 38.043 15.742 -25.468 274 2HB GLN 39 2HB GLN 39 38.666 17.273 -24.869 275 1HG GLN 39 1HG GLN 39 39.997 17.421 -27.011 276 2HG GLN 39 2HG GLN 39 39.034 16.061 -27.590 277 2HE2 GLN 39 1HE2 GLN 39 36.586 16.437 -27.134 278 1HE2 GLN 39 2HE2 GLN 39 35.986 17.975 -27.642 279 H GLU 40 H GLU 40 41.591 15.401 -22.924 280 HA GLU 40 HA GLU 40 40.251 13.295 -21.629 281 1HB GLU 40 2HB GLU 40 41.767 13.637 -19.819 282 2HB GLU 40 1HB GLU 40 42.057 15.304 -20.295 283 1HG GLU 40 1HG GLU 40 42.873 12.862 -21.857 284 2HG GLU 40 2HG GLU 40 43.173 14.536 -22.324 285 H THR 41 H THR 41 38.752 13.207 -20.054 286 HA THR 41 HA THR 41 37.383 13.960 -18.337 287 HB THR 41 HB THR 41 37.847 16.799 -19.237 288 HG1 THR 41 HG1 THR 41 39.263 15.403 -17.195 289 1HG2 THR 41 1HG2 THR 41 35.921 16.209 -17.704 290 2HG2 THR 41 2HG2 THR 41 37.131 15.737 -16.510 291 3HG2 THR 41 3HG2 THR 41 37.058 17.405 -17.080 292 H ALA 42 H ALA 42 37.161 15.963 -21.290 293 HA ALA 42 HA ALA 42 35.326 16.625 -22.501 294 1HB ALA 42 1HB ALA 42 35.765 14.258 -23.209 295 2HB ALA 42 3HB ALA 42 34.114 14.819 -23.470 296 3HB ALA 42 2HB ALA 42 34.480 13.761 -22.109 297 H VAL 43 H VAL 43 34.210 18.063 -21.246 298 HA VAL 43 HA VAL 43 32.221 17.015 -19.363 299 HB VAL 43 HB VAL 43 32.080 19.223 -18.431 300 1HG1 VAL 43 1HG1 VAL 43 34.658 17.879 -18.739 301 2HG1 VAL 43 2HG1 VAL 43 34.786 19.575 -18.275 302 3HG1 VAL 43 3HG1 VAL 43 33.846 18.458 -17.286 303 1HG2 VAL 43 1HG2 VAL 43 32.361 20.325 -20.731 304 2HG2 VAL 43 2HG2 VAL 43 33.043 21.153 -19.332 305 3HG2 VAL 43 3HG2 VAL 43 34.093 20.237 -20.413 306 H THR 44 H THR 44 30.381 18.988 -19.280 307 HA THR 44 HA THR 44 29.418 19.834 -21.812 308 HB THR 44 HB THR 44 27.369 18.010 -20.863 309 HG1 THR 44 HG1 THR 44 28.522 16.107 -21.619 310 1HG2 THR 44 1HG2 THR 44 28.787 18.536 -23.463 311 2HG2 THR 44 2HG2 THR 44 27.577 17.263 -23.298 312 3HG2 THR 44 3HG2 THR 44 27.132 18.945 -23.011 313 H GLN 45 H GLN 45 27.829 21.351 -21.589 314 HA GLN 45 HA GLN 45 26.866 21.826 -18.847 315 1HB GLN 45 1HB GLN 45 27.005 23.899 -21.029 316 2HB GLN 45 2HB GLN 45 26.839 24.154 -19.297 317 1HG GLN 45 1HG GLN 45 29.280 23.044 -20.665 318 2HG GLN 45 2HG GLN 45 29.077 24.711 -20.128 319 2HE2 GLN 45 1HE2 GLN 45 27.976 24.488 -17.702 320 1HE2 GLN 45 2HE2 GLN 45 29.021 23.638 -16.621 321 H THR 46 H THR 46 24.751 23.138 -18.840 322 HA THR 46 HA THR 46 22.954 22.698 -21.036 323 HB THR 46 HB THR 46 21.324 21.378 -19.560 324 HG1 THR 46 HG1 THR 46 22.310 20.144 -17.928 325 1HG2 THR 46 1HG2 THR 46 23.057 20.592 -21.475 326 2HG2 THR 46 2HG2 THR 46 23.602 19.590 -20.130 327 3HG2 THR 46 3HG2 THR 46 21.927 19.500 -20.673 328 H TYR 47 H TYR 47 21.131 23.956 -20.916 329 HA TYR 47 HA TYR 47 20.349 25.221 -18.443 330 1HB TYR 47 1HB TYR 47 20.712 27.499 -19.149 331 2HB TYR 47 2HB TYR 47 22.241 26.634 -19.256 332 HD1 TYR 47 HD1 TYR 47 19.491 28.129 -21.188 333 HD2 TYR 47 HD2 TYR 47 23.314 26.271 -21.377 334 HE1 TYR 47 HE1 TYR 47 19.708 28.825 -23.537 335 HE2 TYR 47 HE2 TYR 47 23.541 26.963 -23.725 336 HH TYR 47 HH TYR 47 22.359 27.727 -25.544 337 H GLY 48 H GLY 48 18.210 25.139 -18.463 338 1HA GLY 48 1HA GLY 48 16.036 25.145 -19.197 339 2HA GLY 48 2HA GLY 48 16.573 26.311 -20.397 340 H GLY 49 H GLY 49 16.862 25.677 -22.492 341 1HA GLY 49 1HA GLY 49 16.552 24.389 -24.366 342 2HA GLY 49 2HA GLY 49 17.282 23.094 -23.430 343 H ASN 50 H ASN 50 16.078 21.327 -23.452 344 HA ASN 50 HA ASN 50 13.148 21.633 -23.371 345 1HB ASN 50 1HB ASN 50 14.782 20.254 -25.249 346 2HB ASN 50 2HB ASN 50 13.877 19.048 -24.341 347 2HD2 ASN 50 1HD2 ASN 50 13.597 21.926 -26.324 348 1HD2 ASN 50 2HD2 ASN 50 11.977 21.636 -26.848 349 H SER 51 H SER 51 15.840 20.585 -21.690 350 HA SER 51 HA SER 51 14.227 18.717 -20.080 351 1HB SER 51 1HB SER 51 15.970 17.373 -20.773 352 2HB SER 51 2HB SER 51 17.112 18.714 -20.852 353 HG SER 51 HG SER 51 16.079 17.589 -18.460 354 H ASN 52 H ASN 52 14.847 21.778 -20.031 355 HA ASN 52 HA ASN 52 15.164 23.409 -18.474 356 1HB ASN 52 1HB ASN 52 13.177 22.364 -17.509 357 2HB ASN 52 2HB ASN 52 14.185 21.212 -16.638 358 2HD2 ASN 52 1HD2 ASN 52 14.224 21.678 -14.572 359 1HD2 ASN 52 2HD2 ASN 52 14.334 23.258 -13.880 360 H GLY 53 H GLY 53 17.408 21.548 -19.059 361 1HA GLY 53 1HA GLY 53 19.640 21.668 -18.393 362 2HA GLY 53 2HA GLY 53 19.128 22.434 -16.898 363 H GLU 54 H GLU 54 20.157 19.558 -18.369 364 HA GLU 54 HA GLU 54 20.257 18.208 -15.844 365 1HB GLU 54 1HB GLU 54 18.551 16.752 -16.017 366 2HB GLU 54 2HB GLU 54 17.905 17.863 -17.212 367 1HG GLU 54 1HG GLU 54 18.900 16.560 -18.999 368 2HG GLU 54 2HG GLU 54 19.622 15.467 -17.821 369 HA PRO 55 HA PRO 55 23.646 16.020 -17.594 370 1HB PRO 55 1HB PRO 55 23.134 13.374 -17.079 371 2HB PRO 55 2HB PRO 55 23.722 14.519 -15.870 372 1HG PRO 55 2HG PRO 55 21.768 13.820 -14.830 373 2HG PRO 55 1HG PRO 55 20.933 13.559 -16.375 374 1HD PRO 55 1HD PRO 55 19.997 15.595 -15.800 375 2HD PRO 55 2HD PRO 55 21.433 16.111 -14.894 376 H CYS 56 H CYS 56 24.262 15.343 -19.570 377 HA CYS 56 HA CYS 56 22.223 14.712 -21.508 378 1HB CYS 56 1HB CYS 56 25.210 14.754 -21.943 379 2HB CYS 56 2HB CYS 56 23.946 14.934 -23.155 380 H VAL 57 H VAL 57 22.814 12.918 -23.165 381 HA VAL 57 HA VAL 57 23.688 10.516 -21.700 382 HB VAL 57 HB VAL 57 21.197 10.636 -21.982 383 1HG1 VAL 57 1HG1 VAL 57 21.744 11.523 -24.488 384 2HG1 VAL 57 2HG1 VAL 57 21.360 9.830 -24.798 385 3HG1 VAL 57 3HG1 VAL 57 20.192 10.864 -23.976 386 1HG2 VAL 57 1HG2 VAL 57 22.920 8.429 -22.973 387 2HG2 VAL 57 2HG2 VAL 57 21.828 8.480 -21.589 388 3HG2 VAL 57 3HG2 VAL 57 21.178 8.287 -23.217 389 H LEU 58 H LEU 58 25.700 11.394 -22.926 390 HA LEU 58 HA LEU 58 25.756 10.116 -25.579 391 1HB LEU 58 1HB LEU 58 27.912 12.010 -25.108 392 2HB LEU 58 2HB LEU 58 26.835 11.855 -26.482 393 HG LEU 58 HG LEU 58 25.097 13.094 -25.126 394 1HD1 LEU 58 1HD1 LEU 58 27.286 12.990 -23.192 395 2HD1 LEU 58 2HD1 LEU 58 26.587 14.594 -23.414 396 3HD1 LEU 58 3HD1 LEU 58 25.557 13.242 -22.946 397 1HD2 LEU 58 1HD2 LEU 58 26.546 14.090 -26.910 398 2HD2 LEU 58 2HD2 LEU 58 25.976 15.233 -25.694 399 3HD2 LEU 58 3HD2 LEU 58 27.633 14.634 -25.633 400 HA PRO 59 HA PRO 59 28.116 10.557 -26.893 401 1HB PRO 59 1HB PRO 59 29.041 7.915 -27.801 402 2HB PRO 59 2HB PRO 59 29.779 9.503 -28.034 403 1HG PRO 59 1HG PRO 59 30.849 7.679 -26.377 404 2HG PRO 59 2HG PRO 59 30.917 9.417 -26.027 405 1HD PRO 59 2HD PRO 59 29.914 8.665 -24.074 406 2HD PRO 59 1HD PRO 59 29.088 7.326 -24.902 407 H PHE 60 H PHE 60 26.204 10.677 -27.882 408 HA PHE 60 HA PHE 60 24.549 8.252 -28.064 409 1HB PHE 60 1HB PHE 60 22.697 9.909 -28.571 410 2HB PHE 60 2HB PHE 60 23.358 9.977 -26.941 411 HD1 PHE 60 HD1 PHE 60 23.913 11.517 -30.292 412 HD2 PHE 60 HD2 PHE 60 23.850 12.037 -26.071 413 HE1 PHE 60 HE1 PHE 60 24.377 13.915 -30.584 414 HE2 PHE 60 HE2 PHE 60 24.314 14.436 -26.355 415 HZ PHE 60 HZ PHE 60 24.580 15.376 -28.614 416 H THR 61 H THR 61 23.004 8.418 -30.069 417 HA THR 61 HA THR 61 24.654 9.118 -32.410 418 HB THR 61 HB THR 61 22.653 6.924 -32.642 419 HG1 THR 61 HG1 THR 61 25.246 6.286 -31.741 420 1HG2 THR 61 1HG2 THR 61 23.972 7.764 -34.573 421 2HG2 THR 61 2HG2 THR 61 25.444 7.251 -33.747 422 3HG2 THR 61 3HG2 THR 61 24.245 6.054 -34.238 423 H TYR 62 H TYR 62 23.754 10.569 -33.712 424 HA TYR 62 HA TYR 62 20.834 10.657 -33.963 425 1HB TYR 62 1HB TYR 62 21.202 12.389 -32.388 426 2HB TYR 62 2HB TYR 62 22.632 12.967 -33.239 427 HD1 TYR 62 HD1 TYR 62 19.008 12.388 -33.979 428 HD2 TYR 62 HD2 TYR 62 22.388 14.936 -34.402 429 HE1 TYR 62 HE1 TYR 62 17.622 14.016 -35.193 430 HE2 TYR 62 HE2 TYR 62 21.011 16.572 -35.616 431 HH TYR 62 HH TYR 62 17.675 16.506 -35.644 432 H ASN 63 H ASN 63 20.143 10.917 -35.998 433 HA ASN 63 HA ASN 63 20.138 11.261 -38.246 434 1HB ASN 63 1HB ASN 63 21.834 13.301 -37.216 435 2HB ASN 63 2HB ASN 63 22.567 12.688 -38.695 436 2HD2 ASN 63 1HD2 ASN 63 21.489 15.277 -38.327 437 1HD2 ASN 63 2HD2 ASN 63 20.159 15.452 -39.415 438 H GLY 64 H GLY 64 22.102 9.325 -36.684 439 1HA GLY 64 1HA GLY 64 22.905 7.329 -37.759 440 2HA GLY 64 2HA GLY 64 23.311 8.300 -39.166 441 H ARG 65 H ARG 65 24.416 10.362 -37.174 442 HA ARG 65 HA ARG 65 27.073 9.152 -37.044 443 1HB ARG 65 2HB ARG 65 26.809 11.361 -38.135 444 2HB ARG 65 1HB ARG 65 27.921 11.401 -36.775 445 1HG ARG 65 1HG ARG 65 25.382 12.018 -35.741 446 2HG ARG 65 2HG ARG 65 26.774 13.086 -35.932 447 1HD ARG 65 1HD ARG 65 25.327 12.640 -38.420 448 2HD ARG 65 2HD ARG 65 24.327 13.372 -37.165 449 HE ARG 65 HE ARG 65 26.474 14.921 -37.040 450 1HH1 ARG 65 1HH1 ARG 65 24.725 13.737 -39.809 451 2HH1 ARG 65 2HH1 ARG 65 25.114 15.102 -40.801 452 1HH2 ARG 65 1HH2 ARG 65 26.993 16.723 -38.337 453 2HH2 ARG 65 2HH2 ARG 65 26.404 16.799 -39.965 454 H THR 66 H THR 66 28.261 10.592 -35.042 455 HA THR 66 HA THR 66 26.701 9.960 -32.632 456 HB THR 66 HB THR 66 29.626 9.274 -32.947 457 HG1 THR 66 HG1 THR 66 28.922 7.142 -33.163 458 1HG2 THR 66 1HG2 THR 66 28.936 9.753 -30.650 459 2HG2 THR 66 2HG2 THR 66 27.615 8.595 -30.797 460 3HG2 THR 66 3HG2 THR 66 29.287 8.038 -30.855 461 H PHE 67 H PHE 67 27.507 11.000 -30.673 462 HA PHE 67 HA PHE 67 29.310 13.253 -31.040 463 1HB PHE 67 1HB PHE 67 26.584 13.759 -29.862 464 2HB PHE 67 2HB PHE 67 27.789 14.937 -30.370 465 HD1 PHE 67 HD1 PHE 67 25.482 12.333 -31.656 466 HD2 PHE 67 HD2 PHE 67 27.729 15.844 -32.515 467 HE1 PHE 67 HE1 PHE 67 24.384 12.495 -33.852 468 HE2 PHE 67 HE2 PHE 67 26.634 16.013 -34.711 469 HZ PHE 67 HZ PHE 67 24.960 14.336 -35.382 470 H TYR 68 H TYR 68 30.634 13.339 -29.352 471 HA TYR 68 HA TYR 68 29.876 11.959 -26.889 472 1HB TYR 68 2HB TYR 68 32.257 12.018 -26.346 473 2HB TYR 68 1HB TYR 68 32.572 13.027 -27.755 474 HD1 TYR 68 HD1 TYR 68 31.626 11.939 -30.039 475 HD2 TYR 68 HD2 TYR 68 32.744 9.781 -26.551 476 HE1 TYR 68 HE1 TYR 68 31.977 9.926 -31.405 477 HE2 TYR 68 HE2 TYR 68 33.110 7.767 -27.905 478 HH TYR 68 HH TYR 68 31.925 7.136 -30.618 479 H SER 69 H SER 69 28.989 14.708 -27.768 480 HA SER 69 HA SER 69 28.980 15.946 -25.254 481 1HB SER 69 1HB SER 69 31.386 16.354 -25.866 482 2HB SER 69 2HB SER 69 30.816 17.326 -27.222 483 HG SER 69 HG SER 69 30.860 18.866 -25.784 484 H CYS 70 H CYS 70 28.706 18.607 -25.914 485 HA CYS 70 HA CYS 70 26.110 18.760 -26.881 486 1HB CYS 70 2HB CYS 70 26.327 21.092 -26.747 487 2HB CYS 70 1HB CYS 70 28.039 21.050 -27.149 488 H THR 71 H THR 71 25.397 20.038 -28.835 489 HA THR 71 HA THR 71 27.103 20.147 -31.120 490 HB THR 71 HB THR 71 26.579 17.651 -30.877 491 HG1 THR 71 HG1 THR 71 27.108 19.006 -32.899 492 1HG2 THR 71 1HG2 THR 71 23.882 18.677 -31.761 493 2HG2 THR 71 2HG2 THR 71 24.390 16.995 -31.900 494 3HG2 THR 71 3HG2 THR 71 24.249 17.744 -30.309 495 H THR 72 H THR 72 25.857 20.675 -33.130 496 HA THR 72 HA THR 72 23.309 22.015 -32.502 497 HB THR 72 HB THR 72 23.980 23.821 -34.108 498 HG1 THR 72 HG1 THR 72 25.855 23.691 -35.088 499 1HG2 THR 72 1HG2 THR 72 24.175 24.005 -31.605 500 2HG2 THR 72 2HG2 THR 72 25.879 23.583 -31.778 501 3HG2 THR 72 3HG2 THR 72 25.258 25.059 -32.516 502 H GLU 73 H GLU 73 24.176 19.442 -33.887 503 HA GLU 73 HA GLU 73 23.444 19.821 -36.643 504 1HB GLU 73 1HB GLU 73 24.291 17.549 -34.936 505 2HB GLU 73 2HB GLU 73 23.301 17.153 -36.335 506 1HG GLU 73 2HG GLU 73 25.534 16.955 -37.036 507 2HG GLU 73 1HG GLU 73 25.991 18.478 -36.276 508 H GLY 74 H GLY 74 21.884 18.632 -33.718 509 1HA GLY 74 1HA GLY 74 19.393 18.239 -35.237 510 2HA GLY 74 2HA GLY 74 19.738 17.548 -33.663 511 H ARG 75 H ARG 75 19.702 20.805 -35.085 512 HA ARG 75 HA ARG 75 17.651 21.645 -33.230 513 1HB ARG 75 1HB ARG 75 19.049 23.577 -32.415 514 2HB ARG 75 2HB ARG 75 19.511 22.001 -31.792 515 1HG ARG 75 1HG ARG 75 21.482 21.968 -32.931 516 2HG ARG 75 2HG ARG 75 20.877 22.994 -34.231 517 1HD ARG 75 1HD ARG 75 20.782 24.542 -31.888 518 2HD ARG 75 2HD ARG 75 22.339 23.717 -31.872 519 HE ARG 75 HE ARG 75 22.989 25.247 -33.415 520 1HH1 ARG 75 1HH1 ARG 75 19.594 24.623 -33.898 521 2HH1 ARG 75 2HH1 ARG 75 19.470 25.657 -35.281 522 1HH2 ARG 75 1HH2 ARG 75 22.832 26.609 -35.237 523 2HH2 ARG 75 2HH2 ARG 75 21.309 26.785 -36.042 524 H GLN 76 H GLN 76 16.948 23.884 -33.642 525 HA GLN 76 HA GLN 76 17.714 24.922 -36.270 526 1HB GLN 76 1HB GLN 76 14.824 24.633 -35.459 527 2HB GLN 76 2HB GLN 76 15.462 25.085 -37.035 528 1HG GLN 76 1HG GLN 76 16.575 22.709 -36.899 529 2HG GLN 76 2HG GLN 76 15.262 22.408 -35.761 530 2HE2 GLN 76 1HE2 GLN 76 16.103 21.956 -38.821 531 1HE2 GLN 76 2HE2 GLN 76 14.562 22.028 -39.599 532 H ASP 77 H ASP 77 18.162 25.734 -33.465 533 HA ASP 77 HA ASP 77 16.776 28.334 -33.514 534 1HB ASP 77 1HB ASP 77 16.959 26.419 -31.442 535 2HB ASP 77 2HB ASP 77 17.955 27.786 -30.955 536 H GLY 78 H GLY 78 19.821 26.757 -32.595 537 1HA GLY 78 1HA GLY 78 21.852 27.774 -33.622 538 2HA GLY 78 2HA GLY 78 21.186 29.325 -33.133 539 H HIS 79 H HIS 79 20.669 26.792 -30.918 540 HA HIS 79 HA HIS 79 22.922 27.740 -29.269 541 1HB HIS 79 1HB HIS 79 20.507 26.600 -27.958 542 2HB HIS 79 2HB HIS 79 21.585 27.877 -27.409 543 HD1 HIS 79 HD1 HIS 79 21.245 29.724 -29.939 544 HD2 HIS 79 HD2 HIS 79 18.155 28.008 -27.756 545 HE1 HIS 79 HE1 HIS 79 19.233 31.170 -30.370 546 HE2 HIS 79 HE2 HIS 79 17.357 30.067 -29.102 547 H LEU 80 H LEU 80 24.367 26.212 -28.752 548 HA LEU 80 HA LEU 80 24.416 23.638 -29.607 549 1HB LEU 80 1HB LEU 80 25.568 24.906 -27.143 550 2HB LEU 80 2HB LEU 80 25.815 23.205 -27.471 551 HG LEU 80 HG LEU 80 27.107 23.632 -29.384 552 1HD1 LEU 80 1HD1 LEU 80 25.514 25.379 -30.259 553 2HD1 LEU 80 2HD1 LEU 80 26.385 26.549 -29.268 554 3HD1 LEU 80 3HD1 LEU 80 27.226 25.684 -30.555 555 1HD2 LEU 80 1HD2 LEU 80 28.063 24.300 -27.081 556 2HD2 LEU 80 2HD2 LEU 80 28.929 24.794 -28.536 557 3HD2 LEU 80 3HD2 LEU 80 27.916 25.954 -27.676 558 H TRP 81 H TRP 81 23.862 21.589 -28.721 559 HA TRP 81 HA TRP 81 22.174 21.562 -26.356 560 1HB TRP 81 1HB TRP 81 20.275 20.543 -27.452 561 2HB TRP 81 2HB TRP 81 20.648 22.067 -28.253 562 HD1 TRP 81 HD1 TRP 81 21.263 21.981 -30.794 563 HE1 TRP 81 HE1 TRP 81 21.347 20.095 -32.544 564 HE3 TRP 81 HE3 TRP 81 20.848 17.950 -27.672 565 HZ2 TRP 81 HZ2 TRP 81 21.253 17.274 -32.595 566 HZ3 TRP 81 HZ3 TRP 81 20.854 15.694 -28.652 567 HH2 TRP 81 HH2 TRP 81 21.052 15.365 -31.063 568 H CYS 82 H CYS 82 21.441 19.338 -25.816 569 HA CYS 82 HA CYS 82 23.049 17.161 -26.870 570 1HB CYS 82 2HB CYS 82 24.291 18.356 -24.934 571 2HB CYS 82 1HB CYS 82 24.150 16.602 -24.883 572 H SER 83 H SER 83 22.305 15.050 -26.027 573 HA SER 83 HA SER 83 19.424 15.135 -25.586 574 1HB SER 83 1HB SER 83 19.502 12.717 -26.120 575 2HB SER 83 2HB SER 83 20.228 13.703 -27.388 576 HG SER 83 HG SER 83 22.139 13.088 -25.670 577 H THR 84 H THR 84 18.399 14.373 -23.806 578 HA THR 84 HA THR 84 20.097 13.672 -21.516 579 HB THR 84 HB THR 84 18.374 14.396 -20.080 580 HG1 THR 84 HG1 THR 84 16.475 13.668 -20.774 581 1HG2 THR 84 1HG2 THR 84 19.559 16.180 -21.476 582 2HG2 THR 84 2HG2 THR 84 18.055 16.293 -22.392 583 3HG2 THR 84 3HG2 THR 84 18.066 16.655 -20.665 584 H THR 85 H THR 85 18.557 12.092 -23.869 585 HA THR 85 HA THR 85 18.301 9.679 -22.316 586 HB THR 85 HB THR 85 15.923 11.159 -23.296 587 HG1 THR 85 HG1 THR 85 16.785 9.943 -21.064 588 1HG2 THR 85 1HG2 THR 85 15.970 9.201 -24.818 589 2HG2 THR 85 2HG2 THR 85 16.007 8.140 -23.409 590 3HG2 THR 85 3HG2 THR 85 14.604 9.167 -23.703 591 H SER 86 H SER 86 18.603 7.857 -23.563 592 HA SER 86 HA SER 86 20.055 7.933 -25.851 593 1HB SER 86 1HB SER 86 18.757 5.918 -24.351 594 2HB SER 86 2HB SER 86 18.317 5.650 -26.038 595 HG SER 86 HG SER 86 20.840 5.599 -24.820 596 H ASN 87 H ASN 87 16.537 7.363 -25.778 597 HA ASN 87 HA ASN 87 16.296 7.679 -28.619 598 1HB ASN 87 1HB ASN 87 14.691 6.677 -26.495 599 2HB ASN 87 2HB ASN 87 13.768 7.935 -27.312 600 2HD2 ASN 87 1HD2 ASN 87 14.754 7.617 -29.894 601 1HD2 ASN 87 2HD2 ASN 87 14.213 6.097 -30.510 602 H TYR 88 H TYR 88 17.155 9.787 -28.966 603 HA TYR 88 HA TYR 88 15.881 12.057 -27.730 604 1HB TYR 88 1HB TYR 88 18.151 12.442 -28.171 605 2HB TYR 88 2HB TYR 88 18.053 11.726 -29.778 606 HD1 TYR 88 HD1 TYR 88 16.171 14.432 -28.022 607 HD2 TYR 88 HD2 TYR 88 18.461 13.295 -31.422 608 HE1 TYR 88 HE1 TYR 88 15.823 16.660 -28.989 609 HE2 TYR 88 HE2 TYR 88 18.124 15.527 -32.401 610 HH TYR 88 HH TYR 88 17.587 17.970 -31.273 611 H GLU 89 H GLU 89 15.790 10.382 -30.803 612 HA GLU 89 HA GLU 89 14.069 12.350 -32.018 613 1HB GLU 89 1HB GLU 89 15.091 9.662 -32.912 614 2HB GLU 89 2HB GLU 89 13.960 10.608 -33.870 615 1HG GLU 89 1HG GLU 89 16.510 11.844 -32.944 616 2HG GLU 89 2HG GLU 89 16.516 10.748 -34.324 617 H GLN 90 H GLN 90 13.420 10.412 -29.608 618 HA GLN 90 HA GLN 90 10.738 9.726 -30.604 619 1HB GLN 90 1HB GLN 90 11.819 7.647 -30.296 620 2HB GLN 90 2HB GLN 90 12.562 8.167 -28.790 621 1HG GLN 90 1HG GLN 90 10.885 6.761 -28.072 622 2HG GLN 90 2HG GLN 90 10.140 8.352 -27.923 623 2HE2 GLN 90 1HE2 GLN 90 8.158 7.053 -27.955 624 1HE2 GLN 90 2HE2 GLN 90 7.468 6.635 -29.481 625 H ASP 91 H ASP 91 12.610 10.363 -27.653 626 HA ASP 91 HA ASP 91 10.202 11.210 -26.263 627 1HB ASP 91 1HB ASP 91 13.044 10.715 -25.450 628 2HB ASP 91 2HB ASP 91 11.988 11.660 -24.405 629 H GLN 92 H GLN 92 12.819 12.610 -27.992 630 HA GLN 92 HA GLN 92 13.502 14.753 -28.354 631 1HB GLN 92 1HB GLN 92 10.859 14.558 -28.941 632 2HB GLN 92 2HB GLN 92 10.839 15.885 -27.788 633 1HG GLN 92 1HG GLN 92 11.009 16.697 -30.069 634 2HG GLN 92 2HG GLN 92 12.448 17.106 -29.139 635 2HE2 GLN 92 1HE2 GLN 92 11.634 13.989 -30.554 636 1HE2 GLN 92 2HE2 GLN 92 12.958 13.939 -31.662 637 H LYS 93 H LYS 93 14.233 14.107 -25.875 638 HA LYS 93 HA LYS 93 13.497 16.442 -24.234 639 1HB LYS 93 2HB LYS 93 12.899 14.349 -23.135 640 2HB LYS 93 1HB LYS 93 14.200 15.145 -22.266 641 1HG LYS 93 1HG LYS 93 15.784 13.620 -23.519 642 2HG LYS 93 2HG LYS 93 14.763 12.876 -22.293 643 1HD LYS 93 1HD LYS 93 13.885 11.501 -23.795 644 2HD LYS 93 2HD LYS 93 13.365 12.866 -24.778 645 1HE LYS 93 1HE LYS 93 15.639 11.046 -25.120 646 2HE LYS 93 2HE LYS 93 14.730 11.967 -26.313 647 1HZ LYS 93 1HZ LYS 93 16.001 13.964 -25.349 648 2HZ LYS 93 2HZ LYS 93 17.055 12.810 -24.708 649 3HZ LYS 93 3HZ LYS 93 16.827 12.911 -26.380 650 H TYR 94 H TYR 94 15.137 17.318 -25.896 651 HA TYR 94 HA TYR 94 17.905 16.773 -25.219 652 1HB TYR 94 1HB TYR 94 18.482 18.051 -27.117 653 2HB TYR 94 2HB TYR 94 17.028 17.178 -27.584 654 HD1 TYR 94 HD1 TYR 94 18.163 20.477 -26.261 655 HD2 TYR 94 HD2 TYR 94 15.205 18.341 -28.453 656 HE1 TYR 94 HE1 TYR 94 17.090 22.605 -26.877 657 HE2 TYR 94 HE2 TYR 94 14.125 20.461 -29.072 658 HH TYR 94 HH TYR 94 14.271 22.686 -29.027 659 H SER 95 H SER 95 19.397 18.570 -24.823 660 HA SER 95 HA SER 95 18.173 20.786 -23.328 661 1HB SER 95 1HB SER 95 20.788 19.878 -22.324 662 2HB SER 95 2HB SER 95 19.339 20.342 -21.434 663 HG SER 95 HG SER 95 20.109 17.842 -22.415 664 H PHE 96 H PHE 96 19.853 22.577 -22.952 665 HA PHE 96 HA PHE 96 21.182 23.033 -25.507 666 1HB PHE 96 1HB PHE 96 20.299 24.808 -23.259 667 2HB PHE 96 2HB PHE 96 21.512 25.379 -24.401 668 HD1 PHE 96 HD1 PHE 96 20.479 24.067 -26.880 669 HD2 PHE 96 HD2 PHE 96 18.475 26.181 -23.779 670 HE1 PHE 96 HE1 PHE 96 18.701 24.683 -28.458 671 HE2 PHE 96 HE2 PHE 96 16.691 26.802 -25.355 672 HZ PHE 96 HZ PHE 96 16.804 26.050 -27.697 673 H CYS 97 H CYS 97 23.222 24.619 -25.098 674 HA CYS 97 HA CYS 97 24.924 23.632 -22.970 675 1HB CYS 97 1HB CYS 97 25.116 22.670 -25.729 676 2HB CYS 97 2HB CYS 97 26.631 23.313 -25.106 677 H THR 98 H THR 98 25.744 25.437 -22.166 678 HA THR 98 HA THR 98 25.879 27.903 -23.485 679 HB THR 98 HB THR 98 27.683 28.299 -21.554 680 HG1 THR 98 HG1 THR 98 27.550 25.898 -21.162 681 1HG2 THR 98 1HG2 THR 98 24.737 28.229 -21.606 682 2HG2 THR 98 2HG2 THR 98 25.473 28.282 -20.003 683 3HG2 THR 98 3HG2 THR 98 25.832 29.544 -21.182 684 H ASP 99 H ASP 99 28.294 29.028 -23.140 685 HA ASP 99 HA ASP 99 30.555 28.999 -23.713 686 1HB ASP 99 1HB ASP 99 30.217 26.359 -23.775 687 2HB ASP 99 2HB ASP 99 30.285 26.641 -25.511 688 H HIS 100 H HIS 100 27.953 28.334 -25.948 689 HA HIS 100 HA HIS 100 27.509 29.062 -28.064 690 1HB HIS 100 2HB HIS 100 27.852 31.453 -28.418 691 2HB HIS 100 1HB HIS 100 29.002 31.505 -27.086 692 HD1 HIS 100 HD1 HIS 100 26.321 29.366 -26.077 693 HD2 HIS 100 HD2 HIS 100 26.889 33.477 -26.266 694 HE1 HIS 100 HE1 HIS 100 24.583 30.355 -24.554 695 HE2 HIS 100 HE2 HIS 100 25.007 32.837 -24.610 696 H THR 101 H THR 101 28.634 30.370 -30.016 697 HA THR 101 HA THR 101 30.154 30.212 -31.702 698 HB THR 101 HB THR 101 32.601 29.751 -30.368 699 HG1 THR 101 HG1 THR 101 32.492 30.961 -28.570 700 1HG2 THR 101 1HG2 THR 101 31.279 32.288 -31.332 701 2HG2 THR 101 2HG2 THR 101 32.983 32.144 -30.904 702 3HG2 THR 101 3HG2 THR 101 32.335 31.228 -32.265 No H/Q in entry = 702 Start of MODEL 29 1 H1 TYR 1 H1 TYR 1 47.021 13.836 -43.534 2 H2 TYR 1 H2 TYR 1 47.824 12.990 -42.310 3 H3 TYR 1 H3 TYR 1 48.676 13.512 -43.676 4 HA TYR 1 HA TYR 1 47.409 12.035 -45.085 5 1HB TYR 1 1HB TYR 1 48.204 9.858 -43.834 6 2HB TYR 1 2HB TYR 1 49.382 11.017 -44.441 7 HD1 TYR 1 HD1 TYR 1 50.177 12.831 -42.751 8 HD2 TYR 1 HD2 TYR 1 48.288 9.195 -41.609 9 HE1 TYR 1 HE1 TYR 1 51.125 13.055 -40.494 10 HE2 TYR 1 HE2 TYR 1 49.229 9.409 -39.347 11 HH TYR 1 HH TYR 1 50.093 11.143 -37.868 12 H GLY 2 H GLY 2 46.474 9.571 -44.517 13 1HA GLY 2 1HA GLY 2 43.810 10.164 -43.539 14 2HA GLY 2 2HA GLY 2 44.333 8.671 -44.302 15 H HIS 3 H HIS 3 45.189 7.014 -43.048 16 HA HIS 3 HA HIS 3 44.136 6.498 -40.604 17 1HB HIS 3 1HB HIS 3 46.473 5.496 -42.093 18 2HB HIS 3 2HB HIS 3 46.527 5.205 -40.358 19 HD1 HIS 3 HD1 HIS 3 44.806 4.150 -43.470 20 HD2 HIS 3 HD2 HIS 3 44.517 3.455 -39.383 21 HE1 HIS 3 HE1 HIS 3 43.316 2.137 -43.233 22 HE2 HIS 3 HE2 HIS 3 43.120 1.760 -40.749 23 H CYS 4 H CYS 4 44.412 7.172 -38.550 24 HA CYS 4 HA CYS 4 46.684 8.959 -38.028 25 1HB CYS 4 1HB CYS 4 43.911 8.823 -36.876 26 2HB CYS 4 2HB CYS 4 45.211 9.612 -36.014 27 H VAL 5 H VAL 5 47.146 9.015 -35.529 28 HA VAL 5 HA VAL 5 46.990 6.457 -34.212 29 HB VAL 5 HB VAL 5 49.793 7.389 -34.592 30 1HG1 VAL 5 1HG1 VAL 5 48.939 5.495 -33.071 31 2HG1 VAL 5 2HG1 VAL 5 48.772 4.571 -34.565 32 3HG1 VAL 5 3HG1 VAL 5 50.352 5.189 -34.080 33 1HG2 VAL 5 1HG2 VAL 5 48.872 7.362 -36.871 34 2HG2 VAL 5 2HG2 VAL 5 50.063 6.085 -36.623 35 3HG2 VAL 5 3HG2 VAL 5 48.342 5.698 -36.626 36 H THR 6 H THR 6 47.655 6.535 -32.024 37 HA THR 6 HA THR 6 47.460 9.168 -30.863 38 HB THR 6 HB THR 6 47.257 8.101 -28.756 39 HG1 THR 6 HG1 THR 6 48.779 6.591 -28.553 40 1HG2 THR 6 1HG2 THR 6 45.455 7.673 -30.586 41 2HG2 THR 6 2HG2 THR 6 46.035 6.009 -30.514 42 3HG2 THR 6 3HG2 THR 6 45.379 6.777 -29.069 43 H ASP 7 H ASP 7 49.929 6.711 -31.302 44 HA ASP 7 HA ASP 7 52.034 8.587 -31.000 45 1HB ASP 7 1HB ASP 7 51.111 7.612 -28.582 46 2HB ASP 7 2HB ASP 7 52.489 6.573 -28.938 47 H SER 8 H SER 8 51.444 5.121 -30.448 48 HA SER 8 HA SER 8 52.569 4.214 -32.823 49 1HB SER 8 2HB SER 8 54.634 5.256 -31.702 50 2HB SER 8 1HB SER 8 54.794 3.607 -32.308 51 HG SER 8 HG SER 8 53.894 3.686 -29.740 52 H GLY 9 H GLY 9 50.413 3.272 -31.842 53 1HA GLY 9 1HA GLY 9 50.991 0.544 -31.204 54 2HA GLY 9 2HA GLY 9 50.320 1.407 -29.829 55 H VAL 10 H VAL 10 48.584 3.111 -31.348 56 HA VAL 10 HA VAL 10 46.674 1.136 -32.415 57 HB VAL 10 HB VAL 10 45.618 3.577 -31.084 58 1HG1 VAL 10 1HG1 VAL 10 44.242 1.837 -32.292 59 2HG1 VAL 10 2HG1 VAL 10 44.647 0.731 -30.979 60 3HG1 VAL 10 3HG1 VAL 10 43.739 2.205 -30.642 61 1HG2 VAL 10 1HG2 VAL 10 47.072 1.397 -29.695 62 2HG2 VAL 10 2HG2 VAL 10 46.890 3.095 -29.259 63 3HG2 VAL 10 3HG2 VAL 10 45.568 1.965 -28.970 64 H VAL 11 H VAL 11 47.155 1.602 -34.556 65 HA VAL 11 HA VAL 11 47.247 4.250 -35.602 66 HB VAL 11 HB VAL 11 46.822 1.627 -37.040 67 1HG1 VAL 11 1HG1 VAL 11 46.291 4.045 -38.082 68 2HG1 VAL 11 2HG1 VAL 11 48.019 3.943 -38.423 69 3HG1 VAL 11 3HG1 VAL 11 46.925 2.698 -39.027 70 1HG2 VAL 11 1HG2 VAL 11 48.988 2.171 -35.638 71 2HG2 VAL 11 2HG2 VAL 11 49.092 1.392 -37.218 72 3HG2 VAL 11 3HG2 VAL 11 49.394 3.124 -37.067 73 H TYR 12 H TYR 12 45.312 5.201 -34.809 74 HA TYR 12 HA TYR 12 42.741 4.161 -35.452 75 1HB TYR 12 1HB TYR 12 43.727 6.806 -34.417 76 2HB TYR 12 2HB TYR 12 42.036 6.579 -34.854 77 HD1 TYR 12 HD1 TYR 12 40.746 4.712 -33.695 78 HD2 TYR 12 HD2 TYR 12 44.526 6.107 -32.331 79 HE1 TYR 12 HE1 TYR 12 40.307 3.722 -31.486 80 HE2 TYR 12 HE2 TYR 12 44.099 5.121 -30.117 81 HH TYR 12 HH TYR 12 41.193 3.202 -29.491 82 H SER 13 H SER 13 42.223 3.905 -37.534 83 HA SER 13 HA SER 13 43.148 5.225 -39.735 84 1HB SER 13 1HB SER 13 40.252 4.548 -39.722 85 2HB SER 13 2HB SER 13 41.484 4.183 -40.929 86 HG SER 13 HG SER 13 42.341 2.759 -39.129 87 H VAL 14 H VAL 14 41.659 6.610 -41.229 88 HA VAL 14 HA VAL 14 41.126 9.049 -39.748 89 HB VAL 14 HB VAL 14 42.414 9.347 -41.745 90 1HG1 VAL 14 1HG1 VAL 14 40.762 7.292 -42.765 91 2HG1 VAL 14 2HG1 VAL 14 40.558 8.700 -43.809 92 3HG1 VAL 14 3HG1 VAL 14 42.168 8.041 -43.521 93 1HG2 VAL 14 1HG2 VAL 14 39.870 10.586 -41.358 94 2HG2 VAL 14 2HG2 VAL 14 41.350 11.277 -42.021 95 3HG2 VAL 14 3HG2 VAL 14 40.200 10.471 -43.086 96 H GLY 15 H GLY 15 39.246 8.245 -38.666 97 1HA GLY 15 1HA GLY 15 36.891 9.089 -38.927 98 2HA GLY 15 2HA GLY 15 36.862 8.146 -40.410 99 H MET 16 H MET 16 38.607 6.742 -37.821 100 HA MET 16 HA MET 16 36.649 4.623 -37.625 101 1HB MET 16 1HB MET 16 39.225 4.379 -37.664 102 2HB MET 16 2HB MET 16 39.149 4.831 -35.966 103 1HG MET 16 1HG MET 16 37.229 2.788 -36.457 104 2HG MET 16 2HG MET 16 38.782 2.288 -37.123 105 1HE MET 16 1HE MET 16 40.940 2.595 -35.923 106 2HE MET 16 2HE MET 16 41.165 2.191 -34.222 107 3HE MET 16 3HE MET 16 40.579 0.967 -35.349 108 H GLN 17 H GLN 17 37.682 7.379 -35.793 109 HA GLN 17 HA GLN 17 36.965 8.313 -33.849 110 1HB GLN 17 1HB GLN 17 34.666 7.180 -35.127 111 2HB GLN 17 2HB GLN 17 34.494 7.004 -33.386 112 1HG GLN 17 1HG GLN 17 35.328 9.562 -33.541 113 2HG GLN 17 2HG GLN 17 34.450 9.416 -35.061 114 2HE2 GLN 17 1HE2 GLN 17 34.232 9.681 -31.664 115 1HE2 GLN 17 2HE2 GLN 17 32.508 9.666 -31.541 116 H TRP 18 H TRP 18 37.165 7.972 -31.668 117 HA TRP 18 HA TRP 18 36.712 5.414 -30.474 118 1HB TRP 18 2HB TRP 18 38.857 5.008 -31.649 119 2HB TRP 18 1HB TRP 18 39.000 4.868 -29.899 120 HD1 TRP 18 HD1 TRP 18 40.652 6.475 -28.684 121 HE1 TRP 18 HE1 TRP 18 42.319 8.254 -29.485 122 HE3 TRP 18 HE3 TRP 18 39.163 6.849 -33.567 123 HZ2 TRP 18 HZ2 TRP 18 42.928 9.644 -31.874 124 HZ3 TRP 18 HZ3 TRP 18 40.339 8.425 -35.039 125 HH2 TRP 18 HH2 TRP 18 42.180 9.793 -34.214 126 H LEU 19 H LEU 19 38.227 5.520 -28.254 127 HA LEU 19 HA LEU 19 37.712 8.154 -27.054 128 1HB LEU 19 1HB LEU 19 36.573 5.543 -26.351 129 2HB LEU 19 2HB LEU 19 37.260 6.405 -24.989 130 HG LEU 19 HG LEU 19 34.930 6.921 -25.092 131 1HD1 LEU 19 1HD1 LEU 19 36.941 8.845 -25.197 132 2HD1 LEU 19 2HD1 LEU 19 35.667 9.444 -26.258 133 3HD1 LEU 19 3HD1 LEU 19 35.301 9.047 -24.581 134 1HD2 LEU 19 1HD2 LEU 19 35.433 7.685 -27.964 135 2HD2 LEU 19 2HD2 LEU 19 34.461 6.334 -27.382 136 3HD2 LEU 19 3HD2 LEU 19 33.935 7.991 -27.088 137 H LYS 20 H LYS 20 38.996 8.650 -25.203 138 HA LYS 20 HA LYS 20 41.282 6.875 -24.735 139 1HB LYS 20 1HB LYS 20 41.762 8.811 -26.382 140 2HB LYS 20 2HB LYS 20 41.687 9.840 -24.959 141 1HG LYS 20 1HG LYS 20 43.973 9.281 -25.422 142 2HG LYS 20 2HG LYS 20 43.473 8.492 -23.925 143 1HD LYS 20 1HD LYS 20 44.667 6.848 -25.096 144 2HD LYS 20 2HD LYS 20 42.970 6.450 -25.377 145 1HE LYS 20 1HE LYS 20 43.454 8.109 -27.459 146 2HE LYS 20 2HE LYS 20 45.042 7.369 -27.255 147 1HZ LYS 20 1HZ LYS 20 42.633 5.677 -27.328 148 2HZ LYS 20 2HZ LYS 20 43.302 6.246 -28.773 149 3HZ LYS 20 3HZ LYS 20 44.228 5.285 -27.734 150 H THR 21 H THR 21 41.952 6.762 -22.678 151 HA THR 21 HA THR 21 40.719 8.596 -20.730 152 HB THR 21 HB THR 21 40.881 5.605 -20.689 153 HG1 THR 21 HG1 THR 21 38.771 5.829 -20.488 154 1HG2 THR 21 1HG2 THR 21 42.058 6.299 -18.654 155 2HG2 THR 21 2HG2 THR 21 40.698 7.334 -18.217 156 3HG2 THR 21 3HG2 THR 21 40.490 5.583 -18.273 157 H GLN 22 H GLN 22 43.562 7.332 -21.988 158 HA GLN 22 HA GLN 22 45.145 7.420 -19.594 159 1HB GLN 22 1HB GLN 22 45.919 7.247 -22.510 160 2HB GLN 22 2HB GLN 22 47.061 7.152 -21.177 161 1HG GLN 22 1HG GLN 22 45.296 5.244 -20.450 162 2HG GLN 22 2HG GLN 22 45.180 5.148 -22.207 163 2HE2 GLN 22 1HE2 GLN 22 46.308 3.419 -22.771 164 1HE2 GLN 22 2HE2 GLN 22 47.932 3.073 -22.288 165 H GLY 23 H GLY 23 44.260 9.658 -19.137 166 1HA GLY 23 1HA GLY 23 46.302 11.577 -19.889 167 2HA GLY 23 2HA GLY 23 44.674 11.981 -20.411 168 H ASN 24 H ASN 24 43.316 10.915 -18.139 169 HA ASN 24 HA ASN 24 44.295 11.884 -15.694 170 1HB ASN 24 1HB ASN 24 43.167 13.899 -17.450 171 2HB ASN 24 2HB ASN 24 42.256 13.780 -15.948 172 2HD2 ASN 24 1HD2 ASN 24 43.470 13.938 -13.945 173 1HD2 ASN 24 2HD2 ASN 24 44.882 14.933 -13.896 174 H LYS 25 H LYS 25 41.243 11.813 -17.538 175 HA LYS 25 HA LYS 25 40.180 9.864 -15.650 176 1HB LYS 25 1HB LYS 25 38.060 11.687 -16.136 177 2HB LYS 25 2HB LYS 25 38.809 11.276 -14.600 178 1HG LYS 25 1HG LYS 25 40.186 13.262 -16.321 179 2HG LYS 25 2HG LYS 25 38.708 13.758 -15.496 180 1HD LYS 25 1HD LYS 25 39.772 12.812 -13.380 181 2HD LYS 25 2HD LYS 25 41.281 12.774 -14.293 182 1HE LYS 25 1HE LYS 25 40.776 14.840 -12.843 183 2HE LYS 25 2HE LYS 25 41.367 15.090 -14.485 184 1HZ LYS 25 1HZ LYS 25 38.488 15.112 -13.774 185 2HZ LYS 25 2HZ LYS 25 39.442 16.509 -13.817 186 3HZ LYS 25 3HZ LYS 25 39.196 15.610 -15.229 187 H GLN 26 H GLN 26 38.675 11.942 -18.111 188 HA GLN 26 HA GLN 26 38.352 9.616 -19.857 189 1HB GLN 26 1HB GLN 26 36.293 10.380 -18.240 190 2HB GLN 26 2HB GLN 26 35.960 11.326 -19.685 191 1HG GLN 26 1HG GLN 26 34.806 9.447 -20.201 192 2HG GLN 26 2HG GLN 26 36.377 9.005 -20.869 193 2HE2 GLN 26 1HE2 GLN 26 35.716 6.809 -20.648 194 1HE2 GLN 26 2HE2 GLN 26 35.810 6.016 -19.117 195 H MET 27 H MET 27 38.300 10.093 -22.029 196 HA MET 27 HA MET 27 37.978 12.790 -22.975 197 1HB MET 27 1HB MET 27 40.286 12.895 -22.178 198 2HB MET 27 2HB MET 27 40.696 11.477 -23.134 199 1HG MET 27 1HG MET 27 39.513 13.729 -24.615 200 2HG MET 27 2HG MET 27 41.116 14.003 -23.934 201 1HE MET 27 1HE MET 27 43.086 13.523 -24.904 202 2HE MET 27 2HE MET 27 43.179 11.808 -24.505 203 3HE MET 27 3HE MET 27 43.477 12.346 -26.158 204 H LEU 28 H LEU 28 37.384 12.839 -25.082 205 HA LEU 28 HA LEU 28 37.332 10.265 -26.498 206 1HB LEU 28 1HB LEU 28 35.144 11.262 -26.107 207 2HB LEU 28 2HB LEU 28 35.661 12.753 -26.871 208 HG LEU 28 HG LEU 28 36.087 10.696 -28.759 209 1HD1 LEU 28 1HD1 LEU 28 34.037 9.936 -26.986 210 2HD1 LEU 28 2HD1 LEU 28 33.251 10.487 -28.464 211 3HD1 LEU 28 3HD1 LEU 28 34.460 9.207 -28.535 212 1HD2 LEU 28 1HD2 LEU 28 34.166 12.982 -28.469 213 2HD2 LEU 28 2HD2 LEU 28 35.592 12.858 -29.498 214 3HD2 LEU 28 3HD2 LEU 28 34.143 11.929 -29.884 215 H CYS 29 H CYS 29 38.144 10.069 -28.570 216 HA CYS 29 HA CYS 29 39.373 12.460 -29.746 217 1HB CYS 29 1HB CYS 29 41.042 11.086 -28.407 218 2HB CYS 29 2HB CYS 29 40.833 9.828 -29.617 219 H THR 30 H THR 30 39.905 12.267 -32.003 220 HA THR 30 HA THR 30 38.914 10.012 -33.503 221 HB THR 30 HB THR 30 37.485 12.662 -33.778 222 HG1 THR 30 HG1 THR 30 36.206 11.831 -32.321 223 1HG2 THR 30 1HG2 THR 30 37.451 10.123 -35.360 224 2HG2 THR 30 2HG2 THR 30 35.996 11.115 -35.254 225 3HG2 THR 30 3HG2 THR 30 37.480 11.795 -35.925 226 H CYS 31 H CYS 31 39.366 10.144 -35.763 227 HA CYS 31 HA CYS 31 41.417 12.157 -36.410 228 1HB CYS 31 1HB CYS 31 42.306 9.885 -36.460 229 2HB CYS 31 2HB CYS 31 41.015 9.372 -37.530 230 H LEU 32 H LEU 32 40.387 13.767 -37.431 231 HA LEU 32 HA LEU 32 38.165 13.286 -39.190 232 1HB LEU 32 1HB LEU 32 38.646 15.852 -39.643 233 2HB LEU 32 2HB LEU 32 37.836 15.297 -38.191 234 HG LEU 32 HG LEU 32 40.768 15.467 -37.981 235 1HD1 LEU 32 1HD1 LEU 32 39.250 17.687 -39.030 236 2HD1 LEU 32 2HD1 LEU 32 39.988 18.079 -37.477 237 3HD1 LEU 32 3HD1 LEU 32 40.991 17.510 -38.811 238 1HD2 LEU 32 1HD2 LEU 32 38.587 15.279 -36.277 239 2HD2 LEU 32 2HD2 LEU 32 40.262 15.581 -35.817 240 3HD2 LEU 32 3HD2 LEU 32 39.162 16.934 -36.074 241 H GLY 33 H GLY 33 40.437 15.677 -40.270 242 1HA GLY 33 1HA GLY 33 41.266 13.906 -42.472 243 2HA GLY 33 2HA GLY 33 40.569 15.479 -42.821 244 H ASN 34 H ASN 34 41.784 17.018 -40.869 245 HA ASN 34 HA ASN 34 44.369 17.396 -42.040 246 1HB ASN 34 1HB ASN 34 44.449 19.413 -40.875 247 2HB ASN 34 2HB ASN 34 42.719 19.180 -41.102 248 2HD2 ASN 34 1HD2 ASN 34 43.900 20.808 -39.131 249 1HD2 ASN 34 2HD2 ASN 34 43.493 20.153 -37.585 250 H GLY 35 H GLY 35 43.134 15.673 -39.357 251 1HA GLY 35 1HA GLY 35 45.433 14.274 -38.786 252 2HA GLY 35 2HA GLY 35 45.490 15.686 -37.742 253 H VAL 36 H VAL 36 44.940 15.096 -35.761 254 HA VAL 36 HA VAL 36 42.487 13.511 -35.410 255 HB VAL 36 HB VAL 36 45.181 13.041 -34.191 256 1HG1 VAL 36 1HG1 VAL 36 42.541 12.536 -32.864 257 2HG1 VAL 36 2HG1 VAL 36 43.955 11.541 -32.519 258 3HG1 VAL 36 3HG1 VAL 36 43.994 13.273 -32.190 259 1HG2 VAL 36 1HG2 VAL 36 43.312 11.619 -35.861 260 2HG2 VAL 36 2HG2 VAL 36 45.023 11.327 -35.554 261 3HG2 VAL 36 3HG2 VAL 36 43.810 10.667 -34.462 262 H SER 37 H SER 37 41.061 14.384 -34.043 263 HA SER 37 HA SER 37 42.005 16.466 -32.187 264 1HB SER 37 1HB SER 37 40.856 17.543 -34.046 265 2HB SER 37 2HB SER 37 39.461 16.485 -33.830 266 HG SER 37 HG SER 37 39.378 18.672 -32.855 267 H CYS 38 H CYS 38 41.570 16.040 -30.139 268 HA CYS 38 HA CYS 38 39.252 14.341 -29.496 269 1HB CYS 38 1HB CYS 38 41.401 14.175 -27.546 270 2HB CYS 38 2HB CYS 38 40.511 12.887 -28.331 271 H GLN 39 H GLN 39 38.499 14.616 -27.221 272 HA GLN 39 HA GLN 39 39.035 17.330 -26.213 273 1HB GLN 39 2HB GLN 39 36.822 17.894 -26.105 274 2HB GLN 39 1HB GLN 39 36.295 16.230 -25.893 275 1HG GLN 39 1HG GLN 39 37.212 17.482 -28.473 276 2HG GLN 39 2HG GLN 39 36.710 15.804 -28.267 277 2HE2 GLN 39 1HE2 GLN 39 35.495 19.038 -27.442 278 1HE2 GLN 39 2HE2 GLN 39 33.874 18.747 -27.962 279 H GLU 40 H GLU 40 39.987 17.090 -24.310 280 HA GLU 40 HA GLU 40 39.665 14.776 -22.674 281 1HB GLU 40 2HB GLU 40 41.322 15.673 -21.327 282 2HB GLU 40 1HB GLU 40 40.810 17.330 -21.622 283 1HG GLU 40 1HG GLU 40 41.694 16.059 -24.056 284 2HG GLU 40 2HG GLU 40 42.234 17.559 -23.304 285 H THR 41 H THR 41 38.511 14.488 -20.822 286 HA THR 41 HA THR 41 37.091 14.953 -19.072 287 HB THR 41 HB THR 41 36.775 17.758 -20.143 288 HG1 THR 41 HG1 THR 41 38.704 18.165 -19.388 289 1HG2 THR 41 1HG2 THR 41 36.318 16.510 -17.433 290 2HG2 THR 41 2HG2 THR 41 36.232 18.240 -17.767 291 3HG2 THR 41 3HG2 THR 41 35.090 17.135 -18.533 292 H ALA 42 H ALA 42 36.173 16.528 -22.127 293 HA ALA 42 HA ALA 42 34.296 16.387 -23.409 294 1HB ALA 42 2HB ALA 42 32.844 14.258 -22.890 295 2HB ALA 42 3HB ALA 42 34.416 14.116 -23.678 296 3HB ALA 42 1HB ALA 42 34.262 13.792 -21.951 297 H VAL 43 H VAL 43 33.076 18.110 -22.847 298 HA VAL 43 HA VAL 43 30.908 17.630 -20.948 299 HB VAL 43 HB VAL 43 31.207 19.619 -19.717 300 1HG1 VAL 43 1HG1 VAL 43 32.714 17.770 -19.083 301 2HG1 VAL 43 2HG1 VAL 43 33.970 18.475 -20.101 302 3HG1 VAL 43 3HG1 VAL 43 33.381 19.356 -18.692 303 1HG2 VAL 43 1HG2 VAL 43 33.280 20.361 -21.773 304 2HG2 VAL 43 2HG2 VAL 43 31.757 21.181 -21.428 305 3HG2 VAL 43 3HG2 VAL 43 33.068 21.222 -20.248 306 H THR 44 H THR 44 29.793 20.168 -20.975 307 HA THR 44 HA THR 44 29.565 21.212 -23.623 308 HB THR 44 HB THR 44 26.928 20.559 -23.420 309 HG1 THR 44 HG1 THR 44 27.209 19.062 -21.768 310 1HG2 THR 44 1HG2 THR 44 29.237 19.556 -24.964 311 2HG2 THR 44 2HG2 THR 44 27.785 18.556 -25.006 312 3HG2 THR 44 3HG2 THR 44 27.711 20.241 -25.522 313 H GLN 45 H GLN 45 27.609 22.745 -23.751 314 HA GLN 45 HA GLN 45 26.789 23.805 -21.165 315 1HB GLN 45 1HB GLN 45 27.807 25.854 -23.049 316 2HB GLN 45 2HB GLN 45 27.838 25.827 -21.290 317 1HG GLN 45 1HG GLN 45 29.603 24.058 -22.953 318 2HG GLN 45 2HG GLN 45 30.066 25.696 -22.492 319 2HE2 GLN 45 1HE2 GLN 45 29.193 25.901 -19.954 320 1HE2 GLN 45 2HE2 GLN 45 29.998 24.759 -18.939 321 H THR 46 H THR 46 26.799 24.619 -24.638 322 HA THR 46 HA THR 46 25.132 25.191 -26.075 323 HB THR 46 HB THR 46 23.049 24.080 -25.931 324 HG1 THR 46 HG1 THR 46 22.333 23.162 -23.925 325 1HG2 THR 46 1HG2 THR 46 25.406 22.580 -24.935 326 2HG2 THR 46 2HG2 THR 46 23.839 21.775 -24.842 327 3HG2 THR 46 3HG2 THR 46 24.449 22.341 -26.397 328 H TYR 47 H TYR 47 23.643 26.818 -26.455 329 HA TYR 47 HA TYR 47 22.714 28.338 -24.119 330 1HB TYR 47 1HB TYR 47 23.181 30.416 -25.599 331 2HB TYR 47 2HB TYR 47 24.529 29.658 -24.759 332 HD1 TYR 47 HD1 TYR 47 22.772 29.633 -28.048 333 HD2 TYR 47 HD2 TYR 47 26.431 29.063 -25.953 334 HE1 TYR 47 HE1 TYR 47 23.951 29.371 -30.190 335 HE2 TYR 47 HE2 TYR 47 27.621 28.800 -28.089 336 HH TYR 47 HH TYR 47 27.396 29.309 -30.396 337 H GLY 48 H GLY 48 22.359 27.633 -27.556 338 1HA GLY 48 1HA GLY 48 19.486 27.827 -27.313 339 2HA GLY 48 2HA GLY 48 20.202 29.072 -28.324 340 H GLY 49 H GLY 49 19.698 28.543 -30.357 341 1HA GLY 49 1HA GLY 49 20.223 27.360 -32.337 342 2HA GLY 49 2HA GLY 49 20.653 25.965 -31.359 343 H ASN 50 H ASN 50 19.188 24.391 -31.056 344 HA ASN 50 HA ASN 50 16.456 24.886 -32.043 345 1HB ASN 50 1HB ASN 50 18.263 23.116 -33.099 346 2HB ASN 50 2HB ASN 50 17.365 22.089 -31.986 347 2HD2 ASN 50 1HD2 ASN 50 17.504 23.005 -35.070 348 1HD2 ASN 50 2HD2 ASN 50 15.844 22.853 -35.524 349 H SER 51 H SER 51 18.375 24.049 -29.399 350 HA SER 51 HA SER 51 16.161 22.722 -28.006 351 1HB SER 51 1HB SER 51 17.821 21.390 -27.287 352 2HB SER 51 2HB SER 51 19.054 22.486 -27.909 353 HG SER 51 HG SER 51 19.075 23.561 -26.011 354 H ASN 52 H ASN 52 17.790 25.701 -28.266 355 HA ASN 52 HA ASN 52 17.491 27.707 -27.239 356 1HB ASN 52 1HB ASN 52 15.114 27.287 -27.314 357 2HB ASN 52 2HB ASN 52 15.214 26.237 -25.905 358 2HD2 ASN 52 1HD2 ASN 52 14.221 27.205 -24.292 359 1HD2 ASN 52 2HD2 ASN 52 14.414 28.857 -23.823 360 H GLY 53 H GLY 53 19.108 25.428 -26.088 361 1HA GLY 53 1HA GLY 53 20.730 25.648 -24.382 362 2HA GLY 53 2HA GLY 53 19.655 26.751 -23.536 363 H GLU 54 H GLU 54 20.060 23.346 -24.437 364 HA GLU 54 HA GLU 54 18.881 22.620 -21.854 365 1HB GLU 54 1HB GLU 54 18.195 21.355 -24.506 366 2HB GLU 54 2HB GLU 54 17.716 20.714 -22.941 367 1HG GLU 54 1HG GLU 54 16.896 23.362 -22.890 368 2HG GLU 54 2HG GLU 54 16.526 22.809 -24.520 369 HA PRO 55 HA PRO 55 22.144 19.709 -21.422 370 1HB PRO 55 1HB PRO 55 20.340 17.536 -20.665 371 2HB PRO 55 2HB PRO 55 21.488 18.430 -19.666 372 1HG PRO 55 1HG PRO 55 18.807 18.692 -19.399 373 2HG PRO 55 2HG PRO 55 19.938 20.017 -19.072 374 1HD PRO 55 2HD PRO 55 18.595 21.057 -20.646 375 2HD PRO 55 1HD PRO 55 18.230 19.534 -21.485 376 H CYS 56 H CYS 56 23.205 18.809 -23.074 377 HA CYS 56 HA CYS 56 22.013 17.672 -25.330 378 1HB CYS 56 1HB CYS 56 24.807 17.093 -24.340 379 2HB CYS 56 2HB CYS 56 24.222 17.002 -25.998 380 H VAL 57 H VAL 57 22.630 15.357 -26.081 381 HA VAL 57 HA VAL 57 22.256 13.441 -23.886 382 HB VAL 57 HB VAL 57 20.058 13.990 -24.970 383 1HG1 VAL 57 1HG1 VAL 57 21.297 14.039 -27.296 384 2HG1 VAL 57 2HG1 VAL 57 20.850 12.333 -27.308 385 3HG1 VAL 57 3HG1 VAL 57 19.603 13.570 -27.167 386 1HG2 VAL 57 1HG2 VAL 57 20.846 11.721 -23.903 387 2HG2 VAL 57 2HG2 VAL 57 19.282 11.848 -24.707 388 3HG2 VAL 57 3HG2 VAL 57 20.654 11.130 -25.553 389 H LEU 58 H LEU 58 24.680 13.483 -24.619 390 HA LEU 58 HA LEU 58 25.042 11.574 -26.825 391 1HB LEU 58 1HB LEU 58 27.551 12.368 -26.356 392 2HB LEU 58 2HB LEU 58 26.474 13.208 -27.454 393 HG LEU 58 HG LEU 58 27.734 14.720 -25.950 394 1HD1 LEU 58 1HD1 LEU 58 25.013 14.771 -26.616 395 2HD1 LEU 58 2HD1 LEU 58 25.122 15.331 -24.947 396 3HD1 LEU 58 3HD1 LEU 58 26.053 16.135 -26.211 397 1HD2 LEU 58 1HD2 LEU 58 26.349 13.076 -23.887 398 2HD2 LEU 58 2HD2 LEU 58 27.998 13.700 -23.913 399 3HD2 LEU 58 3HD2 LEU 58 26.650 14.783 -23.563 400 HA PRO 59 HA PRO 59 27.664 10.750 -27.264 401 1HB PRO 59 1HB PRO 59 27.762 8.087 -27.899 402 2HB PRO 59 2HB PRO 59 29.022 8.935 -27.007 403 1HG PRO 59 1HG PRO 59 26.795 7.233 -25.972 404 2HG PRO 59 2HG PRO 59 28.497 7.273 -25.473 405 1HD PRO 59 1HD PRO 59 26.598 8.490 -24.037 406 2HD PRO 59 2HD PRO 59 28.211 9.202 -24.217 407 H PHE 60 H PHE 60 26.435 11.284 -28.943 408 HA PHE 60 HA PHE 60 23.968 9.753 -29.421 409 1HB PHE 60 1HB PHE 60 23.375 11.772 -30.887 410 2HB PHE 60 2HB PHE 60 23.358 12.013 -29.144 411 HD1 PHE 60 HD1 PHE 60 25.631 12.358 -32.073 412 HD2 PHE 60 HD2 PHE 60 24.442 13.840 -28.266 413 HE1 PHE 60 HE1 PHE 60 27.174 14.257 -32.334 414 HE2 PHE 60 HE2 PHE 60 25.982 15.741 -28.520 415 HZ PHE 60 HZ PHE 60 27.350 15.950 -30.556 416 H THR 61 H THR 61 23.387 9.822 -31.903 417 HA THR 61 HA THR 61 25.849 9.162 -33.385 418 HB THR 61 HB THR 61 23.448 7.777 -34.322 419 HG1 THR 61 HG1 THR 61 23.672 6.232 -32.489 420 1HG2 THR 61 1HG2 THR 61 26.205 6.856 -33.501 421 2HG2 THR 61 2HG2 THR 61 25.000 5.864 -34.323 422 3HG2 THR 61 3HG2 THR 61 25.688 7.270 -35.137 423 H TYR 62 H TYR 62 26.150 10.257 -35.187 424 HA TYR 62 HA TYR 62 23.849 11.187 -36.727 425 1HB TYR 62 1HB TYR 62 24.310 13.126 -35.409 426 2HB TYR 62 2HB TYR 62 26.045 12.974 -35.675 427 HD1 TYR 62 HD1 TYR 62 22.889 13.393 -37.635 428 HD2 TYR 62 HD2 TYR 62 27.021 14.334 -37.265 429 HE1 TYR 62 HE1 TYR 62 22.717 14.885 -39.582 430 HE2 TYR 62 HE2 TYR 62 26.861 15.829 -39.211 431 HH TYR 62 HH TYR 62 24.201 15.844 -41.306 432 H ASN 63 H ASN 63 24.128 10.833 -38.837 433 HA ASN 63 HA ASN 63 25.118 10.462 -40.858 434 1HB ASN 63 1HB ASN 63 26.967 12.148 -39.501 435 2HB ASN 63 2HB ASN 63 27.889 10.899 -40.332 436 2HD2 ASN 63 1HD2 ASN 63 28.040 13.571 -41.013 437 1HD2 ASN 63 2HD2 ASN 63 27.362 13.792 -42.586 438 H GLY 64 H GLY 64 25.523 8.725 -38.171 439 1HA GLY 64 1HA GLY 64 25.752 6.328 -38.391 440 2HA GLY 64 2HA GLY 64 26.975 6.610 -39.620 441 H ARG 65 H ARG 65 27.808 8.860 -37.535 442 HA ARG 65 HA ARG 65 29.639 7.068 -36.102 443 1HB ARG 65 2HB ARG 65 30.722 8.743 -37.495 444 2HB ARG 65 1HB ARG 65 31.056 9.056 -35.797 445 1HG ARG 65 1HG ARG 65 28.749 10.522 -36.398 446 2HG ARG 65 2HG ARG 65 30.377 11.137 -36.107 447 1HD ARG 65 1HD ARG 65 30.221 10.117 -38.770 448 2HD ARG 65 2HD ARG 65 28.873 11.220 -38.497 449 HE ARG 65 HE ARG 65 30.360 12.968 -38.356 450 1HH1 ARG 65 1HH1 ARG 65 32.086 9.944 -38.287 451 2HH1 ARG 65 2HH1 ARG 65 33.643 10.680 -38.473 452 1HH2 ARG 65 1HH2 ARG 65 32.407 13.947 -38.604 453 2HH2 ARG 65 2HH2 ARG 65 33.825 12.955 -38.652 454 H THR 66 H THR 66 30.468 8.699 -34.061 455 HA THR 66 HA THR 66 28.061 9.401 -32.547 456 HB THR 66 HB THR 66 30.223 7.596 -31.450 457 HG1 THR 66 HG1 THR 66 29.024 6.190 -32.535 458 1HG2 THR 66 1HG2 THR 66 29.157 9.159 -29.819 459 2HG2 THR 66 2HG2 THR 66 27.601 8.427 -30.210 460 3HG2 THR 66 3HG2 THR 66 28.871 7.454 -29.465 461 H PHE 67 H PHE 67 28.437 10.791 -30.750 462 HA PHE 67 HA PHE 67 31.115 11.949 -30.526 463 1HB PHE 67 1HB PHE 67 28.760 13.799 -30.687 464 2HB PHE 67 2HB PHE 67 30.463 14.141 -30.972 465 HD1 PHE 67 HD1 PHE 67 27.806 11.920 -32.379 466 HD2 PHE 67 HD2 PHE 67 31.065 14.553 -33.138 467 HE1 PHE 67 HE1 PHE 67 27.455 11.653 -34.799 468 HE2 PHE 67 HE2 PHE 67 30.718 14.289 -35.560 469 HZ PHE 67 HZ PHE 67 28.912 12.837 -36.393 470 H TYR 68 H TYR 68 31.668 12.379 -28.476 471 HA TYR 68 HA TYR 68 29.786 11.758 -26.380 472 1HB TYR 68 1HB TYR 68 32.723 12.329 -26.499 473 2HB TYR 68 2HB TYR 68 31.889 12.417 -24.950 474 HD1 TYR 68 HD1 TYR 68 30.434 10.067 -27.192 475 HD2 TYR 68 HD2 TYR 68 33.560 10.559 -24.355 476 HE1 TYR 68 HE1 TYR 68 30.610 7.626 -26.980 477 HE2 TYR 68 HE2 TYR 68 33.745 8.117 -24.126 478 HH TYR 68 HH TYR 68 31.566 6.032 -24.869 479 H SER 69 H SER 69 30.440 14.534 -28.081 480 HA SER 69 HA SER 69 29.012 16.149 -26.200 481 1HB SER 69 2HB SER 69 30.657 17.628 -25.482 482 2HB SER 69 1HB SER 69 31.751 17.208 -26.799 483 HG SER 69 HG SER 69 32.323 16.352 -24.684 484 H CYS 70 H CYS 70 29.913 18.655 -27.099 485 HA CYS 70 HA CYS 70 28.292 19.192 -29.228 486 1HB CYS 70 1HB CYS 70 30.863 20.713 -28.968 487 2HB CYS 70 2HB CYS 70 29.251 21.312 -29.332 488 H THR 71 H THR 71 28.846 19.874 -31.461 489 HA THR 71 HA THR 71 31.231 18.917 -32.696 490 HB THR 71 HB THR 71 29.881 16.785 -32.284 491 HG1 THR 71 HG1 THR 71 31.576 17.028 -33.886 492 1HG2 THR 71 1HG2 THR 71 27.777 18.154 -33.230 493 2HG2 THR 71 2HG2 THR 71 28.328 17.405 -34.729 494 3HG2 THR 71 3HG2 THR 71 27.906 16.399 -33.343 495 H THR 72 H THR 72 31.351 19.428 -34.930 496 HA THR 72 HA THR 72 29.226 21.257 -35.849 497 HB THR 72 HB THR 72 30.990 22.469 -37.113 498 HG1 THR 72 HG1 THR 72 32.675 20.663 -35.700 499 1HG2 THR 72 1HG2 THR 72 30.211 23.088 -34.768 500 2HG2 THR 72 2HG2 THR 72 31.711 22.361 -34.193 501 3HG2 THR 72 3HG2 THR 72 31.766 23.747 -35.281 502 H GLU 73 H GLU 73 29.627 18.337 -36.310 503 HA GLU 73 HA GLU 73 30.425 18.083 -39.063 504 1HB GLU 73 1HB GLU 73 29.273 16.186 -37.034 505 2HB GLU 73 2HB GLU 73 29.467 15.720 -38.718 506 1HG GLU 73 2HG GLU 73 31.342 14.941 -37.432 507 2HG GLU 73 1HG GLU 73 31.644 16.568 -36.822 508 H GLY 74 H GLY 74 27.368 17.837 -37.278 509 1HA GLY 74 1HA GLY 74 25.911 17.830 -39.822 510 2HA GLY 74 2HA GLY 74 25.236 17.449 -38.248 511 H ARG 75 H ARG 75 26.908 20.214 -39.736 512 HA ARG 75 HA ARG 75 24.626 21.917 -39.307 513 1HB ARG 75 1HB ARG 75 25.966 23.571 -37.951 514 2HB ARG 75 2HB ARG 75 25.494 22.106 -37.106 515 1HG ARG 75 1HG ARG 75 27.605 21.499 -36.753 516 2HG ARG 75 2HG ARG 75 28.091 21.888 -38.402 517 1HD ARG 75 1HD ARG 75 27.492 24.244 -36.804 518 2HD ARG 75 2HD ARG 75 28.795 23.270 -36.123 519 HE ARG 75 HE ARG 75 29.009 23.846 -38.954 520 1HH1 ARG 75 1HH1 ARG 75 29.865 24.771 -35.708 521 2HH1 ARG 75 2HH1 ARG 75 31.260 25.674 -36.196 522 1HH2 ARG 75 1HH2 ARG 75 30.842 25.033 -39.608 523 2HH2 ARG 75 2HH2 ARG 75 31.815 25.824 -38.413 524 H GLN 76 H GLN 76 24.977 24.103 -40.132 525 HA GLN 76 HA GLN 76 27.266 24.402 -41.927 526 1HB GLN 76 2HB GLN 76 25.930 24.893 -43.830 527 2HB GLN 76 1HB GLN 76 24.457 24.945 -42.871 528 1HG GLN 76 1HG GLN 76 26.020 22.414 -43.025 529 2HG GLN 76 2HG GLN 76 24.298 22.656 -42.735 530 2HE2 GLN 76 1HE2 GLN 76 23.549 24.237 -44.790 531 1HE2 GLN 76 2HE2 GLN 76 23.771 23.418 -46.296 532 H ASP 77 H ASP 77 26.294 25.605 -39.378 533 HA ASP 77 HA ASP 77 25.851 28.373 -40.260 534 1HB ASP 77 1HB ASP 77 25.417 28.587 -37.652 535 2HB ASP 77 2HB ASP 77 24.164 28.014 -38.748 536 H GLY 78 H GLY 78 27.606 26.633 -37.693 537 1HA GLY 78 1HA GLY 78 30.126 27.120 -37.884 538 2HA GLY 78 2HA GLY 78 29.613 28.792 -37.741 539 H HIS 79 H HIS 79 27.485 27.152 -35.906 540 HA HIS 79 HA HIS 79 29.074 27.596 -33.472 541 1HB HIS 79 2HB HIS 79 27.195 28.364 -32.426 542 2HB HIS 79 1HB HIS 79 26.139 27.240 -33.272 543 HD1 HIS 79 HD1 HIS 79 24.885 28.109 -35.267 544 HD2 HIS 79 HD2 HIS 79 27.816 30.739 -33.944 545 HE1 HIS 79 HE1 HIS 79 24.515 30.232 -36.561 546 HE2 HIS 79 HE2 HIS 79 26.220 31.848 -35.650 547 H LEU 80 H LEU 80 29.630 25.896 -32.250 548 HA LEU 80 HA LEU 80 29.256 23.261 -32.971 549 1HB LEU 80 1HB LEU 80 29.930 24.608 -30.388 550 2HB LEU 80 2HB LEU 80 29.618 22.884 -30.392 551 HG LEU 80 HG LEU 80 31.459 22.466 -31.861 552 1HD1 LEU 80 1HD1 LEU 80 31.050 24.614 -33.177 553 2HD1 LEU 80 2HD1 LEU 80 32.068 25.402 -31.972 554 3HD1 LEU 80 3HD1 LEU 80 32.722 24.098 -32.964 555 1HD2 LEU 80 1HD2 LEU 80 31.735 23.358 -29.307 556 2HD2 LEU 80 2HD2 LEU 80 33.039 22.681 -30.284 557 3HD2 LEU 80 3HD2 LEU 80 32.835 24.429 -30.175 558 H TRP 81 H TRP 81 27.752 21.687 -32.523 559 HA TRP 81 HA TRP 81 25.428 22.471 -30.906 560 1HB TRP 81 1HB TRP 81 23.894 21.617 -32.570 561 2HB TRP 81 2HB TRP 81 24.929 22.832 -33.312 562 HD1 TRP 81 HD1 TRP 81 26.464 22.075 -35.301 563 HE1 TRP 81 HE1 TRP 81 26.687 19.882 -36.633 564 HE3 TRP 81 HE3 TRP 81 23.751 18.989 -32.257 565 HZ2 TRP 81 HZ2 TRP 81 25.831 17.203 -36.421 566 HZ3 TRP 81 HZ3 TRP 81 23.504 16.625 -32.893 567 HH2 TRP 81 HH2 TRP 81 24.523 15.752 -34.933 568 H CYS 82 H CYS 82 24.088 20.685 -30.220 569 HA CYS 82 HA CYS 82 25.357 18.049 -30.298 570 1HB CYS 82 1HB CYS 82 25.184 17.739 -27.916 571 2HB CYS 82 2HB CYS 82 26.088 19.220 -28.210 572 H SER 83 H SER 83 23.792 16.426 -29.125 573 HA SER 83 HA SER 83 21.133 16.949 -30.248 574 1HB SER 83 1HB SER 83 21.695 14.931 -31.157 575 2HB SER 83 2HB SER 83 22.771 14.509 -29.824 576 HG SER 83 HG SER 83 20.345 13.631 -30.222 577 H THR 84 H THR 84 19.274 16.778 -29.053 578 HA THR 84 HA THR 84 19.645 16.685 -26.135 579 HB THR 84 HB THR 84 17.639 17.980 -25.900 580 HG1 THR 84 HG1 THR 84 17.360 17.617 -28.714 581 1HG2 THR 84 1HG2 THR 84 19.888 18.904 -27.406 582 2HG2 THR 84 2HG2 THR 84 18.435 19.713 -27.990 583 3HG2 THR 84 3HG2 THR 84 18.866 19.802 -26.281 584 H THR 85 H THR 85 18.347 15.011 -28.780 585 HA THR 85 HA THR 85 16.756 13.304 -26.978 586 HB THR 85 HB THR 85 16.196 14.060 -29.848 587 HG1 THR 85 HG1 THR 85 14.256 14.817 -28.932 588 1HG2 THR 85 1HG2 THR 85 15.608 11.595 -28.485 589 2HG2 THR 85 2HG2 THR 85 14.116 12.452 -28.871 590 3HG2 THR 85 3HG2 THR 85 15.265 12.058 -30.151 591 H SER 86 H SER 86 17.026 11.107 -27.150 592 HA SER 86 HA SER 86 19.430 10.044 -27.910 593 1HB SER 86 1HB SER 86 18.549 7.968 -27.419 594 2HB SER 86 2HB SER 86 17.362 9.005 -26.627 595 HG SER 86 HG SER 86 16.310 7.466 -27.892 596 H ASN 87 H ASN 87 16.509 10.363 -29.865 597 HA ASN 87 HA ASN 87 18.014 9.391 -32.200 598 1HB ASN 87 1HB ASN 87 15.438 8.758 -31.269 599 2HB ASN 87 2HB ASN 87 15.194 9.753 -32.700 600 2HD2 ASN 87 1HD2 ASN 87 16.496 9.115 -34.622 601 1HD2 ASN 87 2HD2 ASN 87 16.693 7.426 -34.924 602 H TYR 88 H TYR 88 19.043 11.558 -32.219 603 HA TYR 88 HA TYR 88 17.463 13.856 -32.856 604 1HB TYR 88 1HB TYR 88 19.440 14.551 -31.923 605 2HB TYR 88 2HB TYR 88 20.363 13.231 -32.633 606 HD1 TYR 88 HD1 TYR 88 21.236 13.414 -34.918 607 HD2 TYR 88 HD2 TYR 88 19.160 16.645 -33.086 608 HE1 TYR 88 HE1 TYR 88 22.108 14.941 -36.637 609 HE2 TYR 88 HE2 TYR 88 20.025 18.180 -34.803 610 HH TYR 88 HH TYR 88 21.944 18.303 -36.364 611 H GLU 89 H GLU 89 18.962 11.294 -34.634 612 HA GLU 89 HA GLU 89 19.189 12.458 -37.157 613 1HB GLU 89 1HB GLU 89 18.404 9.590 -36.661 614 2HB GLU 89 2HB GLU 89 19.298 10.238 -38.028 615 1HG GLU 89 1HG GLU 89 21.087 10.887 -36.343 616 2HG GLU 89 2HG GLU 89 20.228 9.850 -35.204 617 H GLN 90 H GLN 90 16.403 11.469 -35.376 618 HA GLN 90 HA GLN 90 14.726 11.890 -37.760 619 1HB GLN 90 2HB GLN 90 14.723 9.626 -36.443 620 2HB GLN 90 1HB GLN 90 13.214 10.317 -37.020 621 1HG GLN 90 1HG GLN 90 14.312 10.362 -34.227 622 2HG GLN 90 2HG GLN 90 12.950 11.354 -34.745 623 2HE2 GLN 90 1HE2 GLN 90 11.491 9.749 -36.289 624 1HE2 GLN 90 2HE2 GLN 90 10.935 8.368 -35.412 625 H ASP 91 H ASP 91 15.083 12.578 -34.323 626 HA ASP 91 HA ASP 91 12.782 14.216 -34.092 627 1HB ASP 91 1HB ASP 91 14.317 13.108 -32.259 628 2HB ASP 91 2HB ASP 91 15.182 14.639 -32.355 629 H GLN 92 H GLN 92 16.234 15.101 -34.217 630 HA GLN 92 HA GLN 92 17.245 16.827 -35.363 631 1HB GLN 92 1HB GLN 92 14.997 16.708 -36.770 632 2HB GLN 92 2HB GLN 92 14.668 18.216 -35.927 633 1HG GLN 92 1HG GLN 92 15.773 18.348 -38.219 634 2HG GLN 92 2HG GLN 92 16.473 19.304 -36.914 635 2HE2 GLN 92 1HE2 GLN 92 16.817 15.840 -37.326 636 1HE2 GLN 92 2HE2 GLN 92 18.516 15.854 -37.640 637 H LYS 93 H LYS 93 16.045 16.741 -32.543 638 HA LYS 93 HA LYS 93 15.840 19.593 -31.955 639 1HB LYS 93 1HB LYS 93 15.417 17.105 -30.306 640 2HB LYS 93 2HB LYS 93 15.459 18.707 -29.583 641 1HG LYS 93 1HG LYS 93 13.194 17.591 -30.285 642 2HG LYS 93 2HG LYS 93 13.457 19.324 -30.488 643 1HD LYS 93 1HD LYS 93 13.991 19.016 -32.820 644 2HD LYS 93 2HD LYS 93 13.905 17.262 -32.644 645 1HE LYS 93 1HE LYS 93 11.626 17.241 -32.594 646 2HE LYS 93 2HE LYS 93 11.520 18.839 -31.856 647 1HZ LYS 93 1HZ LYS 93 12.450 18.516 -34.638 648 2HZ LYS 93 2HZ LYS 93 10.798 18.572 -34.280 649 3HZ LYS 93 3HZ LYS 93 11.793 19.884 -33.893 650 H TYR 94 H TYR 94 18.032 20.101 -32.494 651 HA TYR 94 HA TYR 94 20.050 19.051 -30.637 652 1HB TYR 94 2HB TYR 94 20.422 18.952 -33.147 653 2HB TYR 94 1HB TYR 94 21.712 19.691 -32.205 654 HD1 TYR 94 HD1 TYR 94 21.700 22.277 -32.041 655 HD2 TYR 94 HD2 TYR 94 19.503 20.095 -34.959 656 HE1 TYR 94 HE1 TYR 94 21.575 24.298 -33.447 657 HE2 TYR 94 HE2 TYR 94 19.371 22.104 -36.369 658 HH TYR 94 HH TYR 94 20.033 25.174 -35.269 659 H SER 95 H SER 95 21.794 20.651 -30.064 660 HA SER 95 HA SER 95 20.664 23.306 -29.492 661 1HB SER 95 2HB SER 95 20.928 23.054 -27.271 662 2HB SER 95 1HB SER 95 22.559 22.415 -27.472 663 HG SER 95 HG SER 95 20.423 21.087 -26.761 664 H PHE 96 H PHE 96 22.781 24.555 -28.387 665 HA PHE 96 HA PHE 96 24.827 24.338 -30.491 666 1HB PHE 96 1HB PHE 96 23.588 26.675 -29.119 667 2HB PHE 96 2HB PHE 96 25.273 26.807 -29.619 668 HD1 PHE 96 HD1 PHE 96 25.222 25.206 -32.100 669 HD2 PHE 96 HD2 PHE 96 22.474 28.089 -30.603 670 HE1 PHE 96 HE1 PHE 96 24.497 25.696 -34.396 671 HE2 PHE 96 HE2 PHE 96 21.743 28.587 -32.900 672 HZ PHE 96 HZ PHE 96 22.756 27.385 -34.797 673 H CYS 97 H CYS 97 26.845 25.810 -29.481 674 HA CYS 97 HA CYS 97 27.484 25.053 -26.787 675 1HB CYS 97 1HB CYS 97 28.421 23.444 -29.084 676 2HB CYS 97 2HB CYS 97 29.644 23.860 -27.888 677 H THR 98 H THR 98 28.635 26.680 -26.005 678 HA THR 98 HA THR 98 30.158 28.363 -27.860 679 HB THR 98 HB THR 98 28.764 29.766 -26.656 680 HG1 THR 98 HG1 THR 98 31.068 30.314 -26.443 681 1HG2 THR 98 1HG2 THR 98 29.416 28.147 -24.193 682 2HG2 THR 98 2HG2 THR 98 28.429 29.609 -24.200 683 3HG2 THR 98 3HG2 THR 98 27.883 28.172 -25.066 684 H ASP 99 H ASP 99 30.995 25.720 -26.656 685 HA ASP 99 HA ASP 99 32.860 25.810 -24.699 686 1HB ASP 99 1HB ASP 99 32.219 23.874 -26.290 687 2HB ASP 99 2HB ASP 99 33.525 24.470 -27.310 688 H HIS 100 H HIS 100 33.053 27.312 -27.824 689 HA HIS 100 HA HIS 100 34.452 28.964 -28.571 690 1HB HIS 100 1HB HIS 100 34.692 29.472 -26.054 691 2HB HIS 100 2HB HIS 100 36.212 28.589 -26.161 692 HD1 HIS 100 HD1 HIS 100 34.534 31.710 -27.451 693 HD2 HIS 100 HD2 HIS 100 38.311 29.988 -27.271 694 HE1 HIS 100 HE1 HIS 100 36.126 33.502 -28.210 695 HE2 HIS 100 HE2 HIS 100 38.413 32.461 -28.022 696 H THR 101 H THR 101 36.503 26.666 -26.797 697 HA THR 101 HA THR 101 38.322 25.448 -27.430 698 HB THR 101 HB THR 101 38.082 24.057 -29.306 699 HG1 THR 101 HG1 THR 101 36.172 25.797 -30.477 700 1HG2 THR 101 1HG2 THR 101 35.508 24.879 -28.060 701 2HG2 THR 101 2HG2 THR 101 35.447 23.791 -29.446 702 3HG2 THR 101 3HG2 THR 101 36.347 23.328 -28.001 No H/Q in entry = 702 Start of MODEL 30 1 H1 TYR 1 H1 TYR 1 51.859 8.222 -41.958 2 H2 TYR 1 H2 TYR 1 50.723 8.092 -43.206 3 H3 TYR 1 H3 TYR 1 52.378 8.079 -43.562 4 HA TYR 1 HA TYR 1 52.606 10.349 -42.817 5 1HB TYR 1 1HB TYR 1 51.595 9.478 -45.164 6 2HB TYR 1 2HB TYR 1 50.271 10.513 -44.639 7 HD1 TYR 1 HD1 TYR 1 53.984 10.844 -44.360 8 HD2 TYR 1 HD2 TYR 1 50.348 12.488 -45.832 9 HE1 TYR 1 HE1 TYR 1 55.212 12.813 -45.174 10 HE2 TYR 1 HE2 TYR 1 51.565 14.462 -46.651 11 HH TYR 1 HH TYR 1 55.019 14.594 -46.717 12 H GLY 2 H GLY 2 51.636 10.052 -40.545 13 1HA GLY 2 1HA GLY 2 50.456 11.495 -39.078 14 2HA GLY 2 2HA GLY 2 49.320 11.842 -40.374 15 H HIS 3 H HIS 3 50.447 8.731 -39.092 16 HA HIS 3 HA HIS 3 47.671 7.887 -38.828 17 1HB HIS 3 1HB HIS 3 48.884 6.201 -39.869 18 2HB HIS 3 2HB HIS 3 50.316 6.480 -38.885 19 HD1 HIS 3 HD1 HIS 3 50.474 5.250 -36.651 20 HD2 HIS 3 HD2 HIS 3 46.922 4.560 -38.690 21 HE1 HIS 3 HE1 HIS 3 49.367 3.349 -35.437 22 HE2 HIS 3 HE2 HIS 3 47.133 3.093 -36.565 23 H CYS 4 H CYS 4 46.817 6.989 -36.899 24 HA CYS 4 HA CYS 4 48.307 7.637 -34.445 25 1HB CYS 4 1HB CYS 4 45.885 8.195 -33.545 26 2HB CYS 4 2HB CYS 4 46.839 9.408 -34.386 27 H VAL 5 H VAL 5 48.028 6.239 -32.735 28 HA VAL 5 HA VAL 5 46.009 4.186 -32.765 29 HB VAL 5 HB VAL 5 47.827 3.360 -34.347 30 1HG1 VAL 5 1HG1 VAL 5 49.676 4.214 -32.834 31 2HG1 VAL 5 2HG1 VAL 5 49.353 2.811 -31.815 32 3HG1 VAL 5 3HG1 VAL 5 49.880 2.587 -33.484 33 1HG2 VAL 5 1HG2 VAL 5 46.133 1.921 -33.240 34 2HG2 VAL 5 2HG2 VAL 5 47.657 1.093 -33.560 35 3HG2 VAL 5 3HG2 VAL 5 47.277 1.645 -31.928 36 H THR 6 H THR 6 46.061 2.862 -30.821 37 HA THR 6 HA THR 6 47.652 4.083 -28.659 38 HB THR 6 HB THR 6 45.866 4.255 -27.278 39 HG1 THR 6 HG1 THR 6 44.289 2.694 -27.100 40 1HG2 THR 6 1HG2 THR 6 45.243 5.401 -29.426 41 2HG2 THR 6 2HG2 THR 6 44.274 3.982 -29.825 42 3HG2 THR 6 3HG2 THR 6 43.878 4.950 -28.405 43 H ASP 7 H ASP 7 46.796 2.306 -26.648 44 HA ASP 7 HA ASP 7 48.521 0.070 -27.222 45 1HB ASP 7 1HB ASP 7 46.959 0.028 -24.719 46 2HB ASP 7 2HB ASP 7 48.689 -0.180 -24.974 47 H SER 8 H SER 8 45.307 0.683 -27.781 48 HA SER 8 HA SER 8 44.355 -2.010 -27.254 49 1HB SER 8 1HB SER 8 43.103 0.567 -28.102 50 2HB SER 8 2HB SER 8 42.269 -0.939 -28.485 51 HG SER 8 HG SER 8 43.215 -0.725 -25.897 52 H GLY 9 H GLY 9 45.921 -0.364 -29.743 53 1HA GLY 9 1HA GLY 9 46.700 -1.394 -31.711 54 2HA GLY 9 2HA GLY 9 45.429 -2.598 -31.558 55 H VAL 10 H VAL 10 43.838 0.157 -31.017 56 HA VAL 10 HA VAL 10 42.456 0.165 -33.444 57 HB VAL 10 HB VAL 10 42.642 2.607 -31.703 58 1HG1 VAL 10 1HG1 VAL 10 40.580 1.388 -33.507 59 2HG1 VAL 10 2HG1 VAL 10 40.137 2.567 -32.271 60 3HG1 VAL 10 3HG1 VAL 10 41.271 3.010 -33.547 61 1HG2 VAL 10 1HG2 VAL 10 41.877 -0.048 -30.884 62 2HG2 VAL 10 2HG2 VAL 10 42.014 1.424 -29.925 63 3HG2 VAL 10 3HG2 VAL 10 40.511 1.060 -30.772 64 H VAL 11 H VAL 11 43.916 0.257 -35.146 65 HA VAL 11 HA VAL 11 45.880 2.261 -35.470 66 HB VAL 11 HB VAL 11 44.543 0.523 -37.547 67 1HG1 VAL 11 1HG1 VAL 11 45.964 2.765 -38.081 68 2HG1 VAL 11 2HG1 VAL 11 47.251 1.561 -38.031 69 3HG1 VAL 11 3HG1 VAL 11 45.896 1.357 -39.141 70 1HG2 VAL 11 1HG2 VAL 11 46.403 -0.073 -35.484 71 2HG2 VAL 11 2HG2 VAL 11 45.772 -1.138 -36.739 72 3HG2 VAL 11 3HG2 VAL 11 47.236 -0.201 -37.033 73 H TYR 12 H TYR 12 44.622 4.172 -34.945 74 HA TYR 12 HA TYR 12 42.532 5.066 -36.687 75 1HB TYR 12 1HB TYR 12 44.217 6.547 -34.657 76 2HB TYR 12 2HB TYR 12 42.848 7.251 -35.508 77 HD1 TYR 12 HD1 TYR 12 40.583 5.945 -35.253 78 HD2 TYR 12 HD2 TYR 12 43.887 5.579 -32.598 79 HE1 TYR 12 HE1 TYR 12 39.073 5.107 -33.501 80 HE2 TYR 12 HE2 TYR 12 42.386 4.741 -30.836 81 HH TYR 12 HH TYR 12 40.279 4.333 -30.253 82 H SER 13 H SER 13 43.012 7.564 -37.423 83 HA SER 13 HA SER 13 45.594 7.795 -38.708 84 1HB SER 13 1HB SER 13 43.043 7.358 -40.228 85 2HB SER 13 2HB SER 13 44.366 8.275 -40.941 86 HG SER 13 HG SER 13 45.483 6.143 -39.979 87 H VAL 14 H VAL 14 46.194 9.866 -39.043 88 HA VAL 14 HA VAL 14 45.500 11.954 -37.643 89 HB VAL 14 HB VAL 14 47.245 12.293 -39.176 90 1HG1 VAL 14 1HG1 VAL 14 46.233 10.767 -40.916 91 2HG1 VAL 14 2HG1 VAL 14 45.333 12.169 -41.494 92 3HG1 VAL 14 3HG1 VAL 14 47.096 12.176 -41.531 93 1HG2 VAL 14 1HG2 VAL 14 45.240 14.183 -38.871 94 2HG2 VAL 14 2HG2 VAL 14 46.888 14.478 -39.429 95 3HG2 VAL 14 3HG2 VAL 14 45.596 14.203 -40.599 96 H GLY 15 H GLY 15 43.315 11.964 -37.045 97 1HA GLY 15 1HA GLY 15 41.494 13.561 -37.333 98 2HA GLY 15 2HA GLY 15 41.553 13.218 -39.049 99 H MET 16 H MET 16 41.625 10.878 -36.400 100 HA MET 16 HA MET 16 39.002 9.901 -37.325 101 1HB MET 16 1HB MET 16 41.537 8.460 -36.800 102 2HB MET 16 2HB MET 16 40.061 7.670 -36.264 103 1HG MET 16 1HG MET 16 39.889 8.725 -38.974 104 2HG MET 16 2HG MET 16 41.149 7.510 -38.768 105 1HE MET 16 1HE MET 16 40.998 5.339 -38.454 106 2HE MET 16 2HE MET 16 39.980 4.919 -37.077 107 3HE MET 16 3HE MET 16 39.587 4.306 -38.683 108 H GLN 17 H GLN 17 38.949 11.762 -35.432 109 HA GLN 17 HA GLN 17 39.298 11.448 -32.826 110 1HB GLN 17 1HB GLN 17 36.721 12.251 -34.174 111 2HB GLN 17 2HB GLN 17 37.001 12.433 -32.449 112 1HG GLN 17 1HG GLN 17 38.882 13.908 -32.898 113 2HG GLN 17 2HG GLN 17 38.629 13.712 -34.630 114 2HE2 GLN 17 1HE2 GLN 17 36.726 14.531 -31.744 115 1HE2 GLN 17 2HE2 GLN 17 35.886 15.856 -32.466 116 H TRP 18 H TRP 18 39.024 9.921 -31.358 117 HA TRP 18 HA TRP 18 36.758 8.071 -31.649 118 1HB TRP 18 1HB TRP 18 38.127 6.201 -30.971 119 2HB TRP 18 2HB TRP 18 38.870 6.975 -32.365 120 HD1 TRP 18 HD1 TRP 18 39.400 6.404 -28.619 121 HE1 TRP 18 HE1 TRP 18 41.851 6.931 -28.049 122 HE3 TRP 18 HE3 TRP 18 40.880 8.372 -33.104 123 HZ2 TRP 18 HZ2 TRP 18 44.116 8.037 -29.327 124 HZ3 TRP 18 HZ3 TRP 18 43.201 9.137 -33.344 125 HH2 TRP 18 HH2 TRP 18 44.784 8.973 -31.495 126 H LEU 19 H LEU 19 37.020 6.599 -29.389 127 HA LEU 19 HA LEU 19 36.977 8.596 -27.223 128 1HB LEU 19 1HB LEU 19 34.741 7.517 -28.182 129 2HB LEU 19 2HB LEU 19 35.188 6.224 -27.089 130 HG LEU 19 HG LEU 19 35.247 7.887 -25.229 131 1HD1 LEU 19 1HD1 LEU 19 35.369 9.775 -27.144 132 2HD1 LEU 19 2HD1 LEU 19 33.644 9.805 -26.780 133 3HD1 LEU 19 3HD1 LEU 19 34.820 10.079 -25.496 134 1HD2 LEU 19 1HD2 LEU 19 33.146 6.530 -26.259 135 2HD2 LEU 19 2HD2 LEU 19 33.081 7.486 -24.779 136 3HD2 LEU 19 3HD2 LEU 19 32.528 8.181 -26.303 137 H LYS 20 H LYS 20 38.654 8.174 -25.949 138 HA LYS 20 HA LYS 20 39.614 5.451 -25.618 139 1HB LYS 20 1HB LYS 20 41.170 7.379 -25.974 140 2HB LYS 20 2HB LYS 20 40.690 7.997 -24.399 141 1HG LYS 20 1HG LYS 20 42.788 6.828 -24.224 142 2HG LYS 20 2HG LYS 20 41.534 5.941 -23.354 143 1HD LYS 20 1HD LYS 20 41.609 5.035 -26.060 144 2HD LYS 20 2HD LYS 20 43.245 5.001 -25.399 145 1HE LYS 20 1HE LYS 20 41.527 4.003 -23.399 146 2HE LYS 20 2HE LYS 20 41.057 3.223 -24.908 147 1HZ LYS 20 1HZ LYS 20 43.912 3.369 -24.361 148 2HZ LYS 20 2HZ LYS 20 43.016 2.333 -23.367 149 3HZ LYS 20 3HZ LYS 20 43.002 2.116 -25.044 150 H THR 21 H THR 21 39.715 4.351 -23.665 151 HA THR 21 HA THR 21 38.320 5.537 -21.372 152 HB THR 21 HB THR 21 37.569 2.842 -21.336 153 HG1 THR 21 HG1 THR 21 37.230 2.284 -23.344 154 1HG2 THR 21 1HG2 THR 21 36.365 5.052 -20.695 155 2HG2 THR 21 2HG2 THR 21 35.758 5.003 -22.351 156 3HG2 THR 21 3HG2 THR 21 35.402 3.679 -21.242 157 H GLN 22 H GLN 22 38.912 4.695 -19.350 158 HA GLN 22 HA GLN 22 41.348 3.036 -19.396 159 1HB GLN 22 1HB GLN 22 40.605 5.458 -17.857 160 2HB GLN 22 2HB GLN 22 41.495 4.220 -16.982 161 1HG GLN 22 1HG GLN 22 42.563 4.952 -19.627 162 2HG GLN 22 2HG GLN 22 42.656 6.193 -18.377 163 2HE2 GLN 22 1HE2 GLN 22 43.187 2.695 -18.690 164 1HE2 GLN 22 2HE2 GLN 22 44.675 2.670 -17.811 165 H GLY 23 H GLY 23 38.205 2.693 -18.884 166 1HA GLY 23 1HA GLY 23 37.158 0.827 -17.937 167 2HA GLY 23 2HA GLY 23 38.613 0.512 -17.005 168 H ASN 24 H ASN 24 38.564 3.450 -16.193 169 HA ASN 24 HA ASN 24 36.583 3.115 -14.043 170 1HB ASN 24 1HB ASN 24 38.761 3.231 -13.099 171 2HB ASN 24 2HB ASN 24 39.219 4.579 -14.136 172 2HD2 ASN 24 1HD2 ASN 24 36.175 4.246 -12.428 173 1HD2 ASN 24 2HD2 ASN 24 36.414 5.579 -11.357 174 H LYS 25 H LYS 25 37.744 5.259 -16.544 175 HA LYS 25 HA LYS 25 35.334 6.876 -16.230 176 1HB LYS 25 1HB LYS 25 36.565 8.977 -16.360 177 2HB LYS 25 2HB LYS 25 37.069 8.057 -14.949 178 1HG LYS 25 1HG LYS 25 38.599 7.888 -17.516 179 2HG LYS 25 2HG LYS 25 38.861 9.216 -16.383 180 1HD LYS 25 1HD LYS 25 39.301 7.534 -14.605 181 2HD LYS 25 2HD LYS 25 39.175 6.267 -15.826 182 1HE LYS 25 1HE LYS 25 41.039 7.273 -17.055 183 2HE LYS 25 2HE LYS 25 41.165 8.535 -15.831 184 1HZ LYS 25 1HZ LYS 25 41.277 5.801 -14.855 185 2HZ LYS 25 2HZ LYS 25 42.599 6.302 -15.784 186 3HZ LYS 25 3HZ LYS 25 42.175 7.157 -14.388 187 H GLN 26 H GLN 26 35.677 8.758 -18.101 188 HA GLN 26 HA GLN 26 36.194 7.218 -20.559 189 1HB GLN 26 1HB GLN 26 33.913 8.772 -19.708 190 2HB GLN 26 2HB GLN 26 34.577 9.424 -21.200 191 1HG GLN 26 1HG GLN 26 34.045 7.577 -22.414 192 2HG GLN 26 2HG GLN 26 34.185 6.492 -21.031 193 2HE2 GLN 26 1HE2 GLN 26 32.057 7.290 -23.157 194 1HE2 GLN 26 2HE2 GLN 26 30.609 7.391 -22.220 195 H MET 27 H MET 27 36.904 8.498 -22.433 196 HA MET 27 HA MET 27 38.002 11.115 -21.988 197 1HB MET 27 1HB MET 27 39.611 9.043 -21.184 198 2HB MET 27 2HB MET 27 40.158 9.315 -22.834 199 1HG MET 27 1HG MET 27 39.972 11.858 -21.760 200 2HG MET 27 2HG MET 27 40.615 10.877 -20.444 201 1HE MET 27 1HE MET 27 41.883 8.691 -21.723 202 2HE MET 27 2HE MET 27 42.221 8.915 -23.439 203 3HE MET 27 3HE MET 27 43.521 9.064 -22.257 204 H LEU 28 H LEU 28 37.852 12.189 -23.832 205 HA LEU 28 HA LEU 28 37.401 10.737 -26.314 206 1HB LEU 28 1HB LEU 28 36.029 12.735 -25.509 207 2HB LEU 28 2HB LEU 28 37.414 13.722 -25.932 208 HG LEU 28 HG LEU 28 36.915 12.175 -28.206 209 1HD1 LEU 28 1HD1 LEU 28 34.394 13.046 -26.843 210 2HD1 LEU 28 2HD1 LEU 28 34.496 12.943 -28.601 211 3HD1 LEU 28 3HD1 LEU 28 34.769 11.508 -27.615 212 1HD2 LEU 28 1HD2 LEU 28 37.685 14.553 -27.990 213 2HD2 LEU 28 2HD2 LEU 28 36.477 14.269 -29.243 214 3HD2 LEU 28 3HD2 LEU 28 36.003 15.000 -27.709 215 H CYS 29 H CYS 29 39.053 10.239 -27.597 216 HA CYS 29 HA CYS 29 41.490 11.873 -27.460 217 1HB CYS 29 1HB CYS 29 40.947 9.006 -27.966 218 2HB CYS 29 2HB CYS 29 42.264 9.721 -28.884 219 H THR 30 H THR 30 42.538 12.573 -29.327 220 HA THR 30 HA THR 30 41.293 12.165 -31.915 221 HB THR 30 HB THR 30 41.518 14.949 -30.758 222 HG1 THR 30 HG1 THR 30 39.412 14.821 -30.446 223 1HG2 THR 30 1HG2 THR 30 40.988 13.906 -33.514 224 2HG2 THR 30 2HG2 THR 30 40.249 15.421 -32.990 225 3HG2 THR 30 3HG2 THR 30 42.005 15.254 -33.003 226 H CYS 31 H CYS 31 42.939 11.731 -33.217 227 HA CYS 31 HA CYS 31 45.587 12.734 -32.597 228 1HB CYS 31 1HB CYS 31 46.283 11.306 -34.532 229 2HB CYS 31 2HB CYS 31 45.473 10.428 -33.240 230 H LEU 32 H LEU 32 45.986 14.744 -33.172 231 HA LEU 32 HA LEU 32 44.732 15.975 -35.447 232 1HB LEU 32 1HB LEU 32 46.553 17.801 -34.734 233 2HB LEU 32 2HB LEU 32 45.010 17.614 -33.921 234 HG LEU 32 HG LEU 32 47.277 16.016 -32.866 235 1HD1 LEU 32 1HD1 LEU 32 47.415 18.883 -33.185 236 2HD1 LEU 32 2HD1 LEU 32 47.454 18.412 -31.486 237 3HD1 LEU 32 3HD1 LEU 32 48.638 17.748 -32.613 238 1HD2 LEU 32 1HD2 LEU 32 44.680 16.651 -32.084 239 2HD2 LEU 32 2HD2 LEU 32 45.909 15.826 -31.124 240 3HD2 LEU 32 3HD2 LEU 32 45.722 17.575 -31.003 241 H GLY 33 H GLY 33 48.114 16.625 -34.848 242 1HA GLY 33 1HA GLY 33 48.837 15.244 -37.338 243 2HA GLY 33 2HA GLY 33 49.172 16.959 -37.190 244 H ASN 34 H ASN 34 50.064 17.099 -34.575 245 HA ASN 34 HA ASN 34 52.733 16.128 -34.890 246 1HB ASN 34 1HB ASN 34 53.295 17.517 -33.145 247 2HB ASN 34 2HB ASN 34 51.801 18.287 -33.664 248 2HD2 ASN 34 1HD2 ASN 34 53.445 16.713 -31.140 249 1HD2 ASN 34 2HD2 ASN 34 52.163 16.718 -29.982 250 H GLY 35 H GLY 35 49.929 15.189 -33.014 251 1HA GLY 35 1HA GLY 35 50.989 12.562 -32.612 252 2HA GLY 35 2HA GLY 35 50.983 13.501 -31.127 253 H VAL 36 H VAL 36 49.298 12.997 -29.899 254 HA VAL 36 HA VAL 36 46.648 12.943 -31.107 255 HB VAL 36 HB VAL 36 47.792 10.638 -29.538 256 1HG1 VAL 36 1HG1 VAL 36 44.918 11.284 -30.164 257 2HG1 VAL 36 2HG1 VAL 36 45.480 9.687 -29.669 258 3HG1 VAL 36 3HG1 VAL 36 45.651 11.060 -28.575 259 1HG2 VAL 36 1HG2 VAL 36 46.956 11.100 -32.333 260 2HG2 VAL 36 2HG2 VAL 36 48.226 10.064 -31.684 261 3HG2 VAL 36 3HG2 VAL 36 46.544 9.538 -31.627 262 H SER 37 H SER 37 45.408 14.247 -29.973 263 HA SER 37 HA SER 37 45.997 14.649 -27.119 264 1HB SER 37 1HB SER 37 46.155 16.755 -28.114 265 2HB SER 37 2HB SER 37 44.836 16.431 -29.239 266 HG SER 37 HG SER 37 44.203 17.849 -27.561 267 H CYS 38 H CYS 38 44.291 14.708 -25.611 268 HA CYS 38 HA CYS 38 41.638 13.913 -26.494 269 1HB CYS 38 1HB CYS 38 42.838 12.273 -24.308 270 2HB CYS 38 2HB CYS 38 41.535 11.868 -25.418 271 H GLN 39 H GLN 39 40.052 13.950 -24.711 272 HA GLN 39 HA GLN 39 40.875 15.829 -22.591 273 1HB GLN 39 1HB GLN 39 38.070 15.982 -22.958 274 2HB GLN 39 2HB GLN 39 39.275 17.222 -23.280 275 1HG GLN 39 1HG GLN 39 39.584 15.902 -25.522 276 2HG GLN 39 2HG GLN 39 37.964 15.317 -25.150 277 2HE2 GLN 39 1HE2 GLN 39 39.890 18.214 -25.657 278 1HE2 GLN 39 2HE2 GLN 39 38.584 19.214 -26.183 279 H GLU 40 H GLU 40 40.656 15.122 -20.575 280 HA GLU 40 HA GLU 40 39.791 12.541 -19.942 281 1HB GLU 40 1HB GLU 40 39.892 13.290 -17.580 282 2HB GLU 40 2HB GLU 40 41.330 13.714 -18.499 283 1HG GLU 40 1HG GLU 40 40.458 15.998 -18.765 284 2HG GLU 40 2HG GLU 40 39.066 15.559 -17.776 285 H THR 41 H THR 41 37.802 11.770 -20.045 286 HA THR 41 HA THR 41 35.582 11.503 -19.541 287 HB THR 41 HB THR 41 35.579 14.292 -18.385 288 HG1 THR 41 HG1 THR 41 35.993 13.225 -16.380 289 1HG2 THR 41 1HG2 THR 41 33.403 13.089 -18.886 290 2HG2 THR 41 2HG2 THR 41 33.872 11.924 -17.647 291 3HG2 THR 41 3HG2 THR 41 33.630 13.619 -17.220 292 H ALA 42 H ALA 42 36.218 14.897 -20.424 293 HA ALA 42 HA ALA 42 35.674 15.986 -22.396 294 1HB ALA 42 1HB ALA 42 35.299 13.488 -23.251 295 2HB ALA 42 2HB ALA 42 33.617 14.016 -23.213 296 3HB ALA 42 3HB ALA 42 34.796 14.897 -24.185 297 H VAL 43 H VAL 43 34.714 17.645 -21.327 298 HA VAL 43 HA VAL 43 31.897 17.321 -20.566 299 HB VAL 43 HB VAL 43 33.948 18.241 -19.042 300 1HG1 VAL 43 1HG1 VAL 43 33.780 20.343 -20.651 301 2HG1 VAL 43 2HG1 VAL 43 32.518 20.790 -19.503 302 3HG1 VAL 43 3HG1 VAL 43 34.162 20.494 -18.937 303 1HG2 VAL 43 1HG2 VAL 43 31.000 18.612 -18.935 304 2HG2 VAL 43 2HG2 VAL 43 32.049 17.598 -17.943 305 3HG2 VAL 43 3HG2 VAL 43 32.016 19.344 -17.694 306 H THR 44 H THR 44 31.129 19.944 -20.426 307 HA THR 44 HA THR 44 31.674 21.615 -22.564 308 HB THR 44 HB THR 44 29.172 20.690 -23.551 309 HG1 THR 44 HG1 THR 44 29.745 18.636 -22.702 310 1HG2 THR 44 1HG2 THR 44 31.951 21.042 -24.554 311 2HG2 THR 44 2HG2 THR 44 30.825 20.109 -25.542 312 3HG2 THR 44 3HG2 THR 44 30.447 21.777 -25.111 313 H GLN 45 H GLN 45 29.507 22.928 -23.173 314 HA GLN 45 HA GLN 45 28.133 23.424 -20.612 315 1HB GLN 45 1HB GLN 45 28.465 25.547 -22.701 316 2HB GLN 45 2HB GLN 45 28.219 25.725 -20.969 317 1HG GLN 45 1HG GLN 45 30.626 24.395 -21.140 318 2HG GLN 45 2HG GLN 45 30.678 25.523 -22.494 319 2HE2 GLN 45 1HE2 GLN 45 28.948 27.448 -21.144 320 1HE2 GLN 45 2HE2 GLN 45 29.929 28.216 -19.949 321 H THR 46 H THR 46 26.007 24.597 -20.909 322 HA THR 46 HA THR 46 24.605 24.154 -23.392 323 HB THR 46 HB THR 46 22.816 22.761 -22.334 324 HG1 THR 46 HG1 THR 46 24.172 23.270 -20.134 325 1HG2 THR 46 1HG2 THR 46 24.932 21.923 -23.659 326 2HG2 THR 46 2HG2 THR 46 25.347 21.199 -22.105 327 3HG2 THR 46 3HG2 THR 46 23.830 20.775 -22.898 328 H TYR 47 H TYR 47 22.916 25.536 -23.613 329 HA TYR 47 HA TYR 47 21.817 26.838 -21.234 330 1HB TYR 47 1HB TYR 47 22.045 29.070 -22.295 331 2HB TYR 47 2HB TYR 47 23.601 28.329 -21.936 332 HD1 TYR 47 HD1 TYR 47 21.151 28.779 -24.707 333 HD2 TYR 47 HD2 TYR 47 25.214 28.162 -23.606 334 HE1 TYR 47 HE1 TYR 47 21.825 29.071 -27.053 335 HE2 TYR 47 HE2 TYR 47 25.899 28.452 -25.948 336 HH TYR 47 HH TYR 47 24.659 29.816 -28.076 337 H GLY 48 H GLY 48 19.834 28.045 -21.677 338 1HA GLY 48 1HA GLY 48 17.637 27.789 -22.400 339 2HA GLY 48 2HA GLY 48 18.373 28.389 -23.878 340 H GLY 49 H GLY 49 17.889 27.233 -25.607 341 1HA GLY 49 1HA GLY 49 17.528 25.417 -26.973 342 2HA GLY 49 2HA GLY 49 18.206 24.406 -25.706 343 H ASN 50 H ASN 50 16.854 22.914 -24.987 344 HA ASN 50 HA ASN 50 13.976 23.545 -24.947 345 1HB ASN 50 1HB ASN 50 15.148 21.590 -26.453 346 2HB ASN 50 2HB ASN 50 14.716 20.696 -24.999 347 2HD2 ASN 50 1HD2 ASN 50 13.092 23.403 -26.593 348 1HD2 ASN 50 2HD2 ASN 50 11.608 22.569 -26.884 349 H SER 51 H SER 51 16.718 22.399 -23.204 350 HA SER 51 HA SER 51 15.013 21.725 -20.901 351 1HB SER 51 1HB SER 51 17.716 20.771 -21.778 352 2HB SER 51 2HB SER 51 17.291 20.723 -20.066 353 HG SER 51 HG SER 51 15.981 19.437 -22.225 354 H ASN 52 H ASN 52 16.529 24.303 -22.073 355 HA ASN 52 HA ASN 52 17.228 26.270 -21.177 356 1HB ASN 52 1HB ASN 52 15.427 26.130 -19.600 357 2HB ASN 52 2HB ASN 52 16.298 24.952 -18.625 358 2HD2 ASN 52 1HD2 ASN 52 17.870 25.631 -17.222 359 1HD2 ASN 52 2HD2 ASN 52 18.145 27.294 -16.847 360 H GLY 53 H GLY 53 18.805 23.507 -20.989 361 1HA GLY 53 1HA GLY 53 21.241 23.649 -20.981 362 2HA GLY 53 2HA GLY 53 21.107 24.736 -19.607 363 H GLU 54 H GLU 54 19.869 21.487 -20.427 364 HA GLU 54 HA GLU 54 20.394 20.632 -17.696 365 1HB GLU 54 1HB GLU 54 18.789 19.604 -19.968 366 2HB GLU 54 2HB GLU 54 19.422 18.416 -18.834 367 1HG GLU 54 1HG GLU 54 17.983 20.825 -17.821 368 2HG GLU 54 2HG GLU 54 17.082 19.454 -18.453 369 HA PRO 55 HA PRO 55 24.076 18.359 -18.490 370 1HB PRO 55 1HB PRO 55 23.669 15.977 -17.243 371 2HB PRO 55 2HB PRO 55 23.962 17.486 -16.370 372 1HG PRO 55 2HG PRO 55 21.923 16.874 -15.437 373 2HG PRO 55 1HG PRO 55 21.374 16.091 -16.931 374 1HD PRO 55 1HD PRO 55 20.212 18.065 -17.164 375 2HD PRO 55 2HD PRO 55 21.380 18.982 -16.193 376 H CYS 56 H CYS 56 24.422 17.826 -20.572 377 HA CYS 56 HA CYS 56 22.848 16.393 -22.289 378 1HB CYS 56 1HB CYS 56 25.871 16.339 -22.245 379 2HB CYS 56 2HB CYS 56 24.843 15.999 -23.632 380 H VAL 57 H VAL 57 23.759 14.199 -23.331 381 HA VAL 57 HA VAL 57 24.397 12.273 -21.230 382 HB VAL 57 HB VAL 57 21.863 12.506 -21.494 383 1HG1 VAL 57 1HG1 VAL 57 22.557 11.981 -24.200 384 2HG1 VAL 57 2HG1 VAL 57 21.582 10.640 -23.604 385 3HG1 VAL 57 3HG1 VAL 57 20.966 12.289 -23.507 386 1HG2 VAL 57 1HG2 VAL 57 23.050 10.606 -20.407 387 2HG2 VAL 57 2HG2 VAL 57 21.514 10.156 -21.146 388 3HG2 VAL 57 3HG2 VAL 57 23.031 9.764 -21.956 389 H LEU 58 H LEU 58 26.165 13.022 -23.142 390 HA LEU 58 HA LEU 58 25.995 11.081 -25.305 391 1HB LEU 58 1HB LEU 58 28.294 12.201 -25.883 392 2HB LEU 58 2HB LEU 58 26.779 12.994 -26.260 393 HG LEU 58 HG LEU 58 28.609 14.437 -25.275 394 1HD1 LEU 58 1HD1 LEU 58 25.793 14.378 -24.756 395 2HD1 LEU 58 2HD1 LEU 58 26.652 15.090 -23.390 396 3HD1 LEU 58 3HD1 LEU 58 26.860 15.760 -25.008 397 1HD2 LEU 58 1HD2 LEU 58 27.959 12.739 -22.890 398 2HD2 LEU 58 2HD2 LEU 58 29.535 13.155 -23.557 399 3HD2 LEU 58 3HD2 LEU 58 28.584 14.377 -22.717 400 HA PRO 59 HA PRO 59 27.902 10.514 -26.793 401 1HB PRO 59 1HB PRO 59 28.149 7.620 -27.073 402 2HB PRO 59 2HB PRO 59 29.144 8.892 -27.774 403 1HG PRO 59 1HG PRO 59 30.058 7.258 -25.826 404 2HG PRO 59 2HG PRO 59 30.583 8.946 -25.973 405 1HD PRO 59 2HD PRO 59 29.802 8.977 -23.787 406 2HD PRO 59 1HD PRO 59 28.566 7.742 -24.112 407 H PHE 60 H PHE 60 26.049 10.484 -27.911 408 HA PHE 60 HA PHE 60 23.967 8.564 -27.079 409 1HB PHE 60 1HB PHE 60 22.325 10.387 -27.766 410 2HB PHE 60 2HB PHE 60 23.227 10.673 -26.281 411 HD1 PHE 60 HD1 PHE 60 23.014 11.547 -29.858 412 HD2 PHE 60 HD2 PHE 60 24.654 12.531 -26.057 413 HE1 PHE 60 HE1 PHE 60 23.800 13.697 -30.758 414 HE2 PHE 60 HE2 PHE 60 25.443 14.683 -26.952 415 HZ PHE 60 HZ PHE 60 25.018 15.261 -29.306 416 H THR 61 H THR 61 22.122 8.698 -28.918 417 HA THR 61 HA THR 61 23.504 8.487 -31.511 418 HB THR 61 HB THR 61 21.198 6.711 -31.243 419 HG1 THR 61 HG1 THR 61 22.018 5.363 -29.731 420 1HG2 THR 61 1HG2 THR 61 24.076 6.323 -32.069 421 2HG2 THR 61 2HG2 THR 61 22.817 5.097 -32.213 422 3HG2 THR 61 3HG2 THR 61 22.700 6.596 -33.136 423 H TYR 62 H TYR 62 22.651 9.693 -33.052 424 HA TYR 62 HA TYR 62 19.778 10.231 -33.062 425 1HB TYR 62 1HB TYR 62 20.479 12.192 -31.967 426 2HB TYR 62 2HB TYR 62 21.939 12.323 -32.943 427 HD1 TYR 62 HD1 TYR 62 18.278 12.060 -33.677 428 HD2 TYR 62 HD2 TYR 62 21.918 14.166 -34.321 429 HE1 TYR 62 HE1 TYR 62 17.113 13.595 -35.204 430 HE2 TYR 62 HE2 TYR 62 20.763 15.707 -35.849 431 HH TYR 62 HH TYR 62 18.860 16.030 -37.049 432 H ASN 63 H ASN 63 18.934 10.085 -35.043 433 HA ASN 63 HA ASN 63 18.748 9.948 -37.308 434 1HB ASN 63 1HB ASN 63 20.893 11.842 -36.899 435 2HB ASN 63 2HB ASN 63 21.175 10.889 -38.352 436 2HD2 ASN 63 1HD2 ASN 63 20.551 13.696 -38.134 437 1HD2 ASN 63 2HD2 ASN 63 19.083 13.946 -39.011 438 H GLY 64 H GLY 64 20.695 8.194 -35.474 439 1HA GLY 64 1HA GLY 64 21.151 5.913 -36.087 440 2HA GLY 64 2HA GLY 64 21.470 6.462 -37.725 441 H ARG 65 H ARG 65 22.935 8.746 -36.018 442 HA ARG 65 HA ARG 65 25.493 7.305 -36.056 443 1HB ARG 65 1HB ARG 65 26.545 9.508 -36.232 444 2HB ARG 65 2HB ARG 65 25.368 9.262 -37.515 445 1HG ARG 65 1HG ARG 65 24.150 10.513 -35.222 446 2HG ARG 65 2HG ARG 65 25.549 11.426 -35.785 447 1HD ARG 65 1HD ARG 65 23.514 10.434 -37.737 448 2HD ARG 65 2HD ARG 65 23.206 11.898 -36.804 449 HE ARG 65 HE ARG 65 25.616 12.423 -37.795 450 1HH1 ARG 65 1HH1 ARG 65 22.764 11.137 -39.320 451 2HH1 ARG 65 2HH1 ARG 65 23.138 11.802 -40.875 452 1HH2 ARG 65 1HH2 ARG 65 26.121 13.304 -39.837 453 2HH2 ARG 65 2HH2 ARG 65 25.047 13.034 -41.170 454 H THR 66 H THR 66 27.030 8.966 -34.513 455 HA THR 66 HA THR 66 25.755 9.095 -31.885 456 HB THR 66 HB THR 66 28.375 7.649 -32.336 457 HG1 THR 66 HG1 THR 66 26.356 6.526 -32.964 458 1HG2 THR 66 1HG2 THR 66 27.189 8.849 -30.018 459 2HG2 THR 66 2HG2 THR 66 27.254 7.100 -29.805 460 3HG2 THR 66 3HG2 THR 66 28.729 7.999 -30.161 461 H PHE 67 H PHE 67 26.674 10.587 -30.479 462 HA PHE 67 HA PHE 67 28.937 12.147 -31.518 463 1HB PHE 67 1HB PHE 67 26.648 13.539 -30.174 464 2HB PHE 67 2HB PHE 67 27.852 14.192 -31.278 465 HD1 PHE 67 HD1 PHE 67 25.199 11.561 -31.307 466 HD2 PHE 67 HD2 PHE 67 27.103 14.765 -33.364 467 HE1 PHE 67 HE1 PHE 67 23.624 11.292 -33.177 468 HE2 PHE 67 HE2 PHE 67 25.529 14.502 -35.237 469 HZ PHE 67 HZ PHE 67 23.791 12.763 -35.145 470 H TYR 68 H TYR 68 30.426 12.710 -30.046 471 HA TYR 68 HA TYR 68 30.097 11.721 -27.340 472 1HB TYR 68 1HB TYR 68 32.467 12.915 -28.790 473 2HB TYR 68 2HB TYR 68 32.516 12.355 -27.121 474 HD1 TYR 68 HD1 TYR 68 30.619 9.957 -27.689 475 HD2 TYR 68 HD2 TYR 68 34.171 11.366 -29.544 476 HE1 TYR 68 HE1 TYR 68 31.101 7.676 -28.470 477 HE2 TYR 68 HE2 TYR 68 34.675 9.092 -30.327 478 HH TYR 68 HH TYR 68 34.143 6.853 -29.960 479 H SER 69 H SER 69 29.234 14.496 -28.810 480 HA SER 69 HA SER 69 28.938 15.924 -26.374 481 1HB SER 69 1HB SER 69 31.444 16.241 -27.343 482 2HB SER 69 2HB SER 69 30.618 17.545 -28.194 483 HG SER 69 HG SER 69 30.053 17.310 -25.493 484 H CYS 70 H CYS 70 28.783 18.529 -27.413 485 HA CYS 70 HA CYS 70 26.221 18.496 -28.567 486 1HB CYS 70 2HB CYS 70 26.408 20.878 -28.661 487 2HB CYS 70 1HB CYS 70 28.165 20.805 -28.630 488 H THR 71 H THR 71 25.596 19.443 -30.641 489 HA THR 71 HA THR 71 27.489 19.673 -32.765 490 HB THR 71 HB THR 71 27.378 17.189 -32.510 491 HG1 THR 71 HG1 THR 71 26.157 17.667 -34.968 492 1HG2 THR 71 1HG2 THR 71 24.497 17.773 -32.776 493 2HG2 THR 71 2HG2 THR 71 25.086 16.391 -33.698 494 3HG2 THR 71 3HG2 THR 71 25.313 16.445 -31.948 495 H THR 72 H THR 72 26.150 19.543 -34.969 496 HA THR 72 HA THR 72 23.513 20.770 -34.563 497 HB THR 72 HB THR 72 24.128 22.347 -36.498 498 HG1 THR 72 HG1 THR 72 26.129 21.367 -37.032 499 1HG2 THR 72 1HG2 THR 72 24.380 22.576 -33.702 500 2HG2 THR 72 2HG2 THR 72 25.780 23.392 -34.400 501 3HG2 THR 72 3HG2 THR 72 24.151 23.872 -34.875 502 H GLU 73 H GLU 73 22.797 18.640 -35.232 503 HA GLU 73 HA GLU 73 22.911 18.314 -38.158 504 1HB GLU 73 1HB GLU 73 23.156 16.252 -35.990 505 2HB GLU 73 2HB GLU 73 22.569 15.809 -37.587 506 1HG GLU 73 1HG GLU 73 25.196 17.181 -37.086 507 2HG GLU 73 2HG GLU 73 25.002 15.434 -37.223 508 H GLY 74 H GLY 74 20.965 19.328 -35.866 509 1HA GLY 74 1HA GLY 74 18.593 18.069 -37.089 510 2HA GLY 74 2HA GLY 74 18.698 18.308 -35.353 511 H ARG 75 H ARG 75 20.117 20.811 -37.191 512 HA ARG 75 HA ARG 75 17.654 22.414 -36.984 513 1HB ARG 75 1HB ARG 75 19.309 24.359 -36.510 514 2HB ARG 75 2HB ARG 75 18.858 23.278 -35.200 515 1HG ARG 75 1HG ARG 75 21.194 22.355 -36.657 516 2HG ARG 75 2HG ARG 75 21.415 23.955 -35.947 517 1HD ARG 75 1HD ARG 75 22.015 21.886 -34.538 518 2HD ARG 75 2HD ARG 75 21.084 23.176 -33.783 519 HE ARG 75 HE ARG 75 20.116 20.524 -34.529 520 1HH1 ARG 75 1HH1 ARG 75 19.415 23.686 -33.226 521 2HH1 ARG 75 2HH1 ARG 75 17.945 23.181 -32.464 522 1HH2 ARG 75 1HH2 ARG 75 18.182 19.862 -33.531 523 2HH2 ARG 75 2HH2 ARG 75 17.244 21.012 -32.637 524 H GLN 76 H GLN 76 18.082 24.623 -38.175 525 HA GLN 76 HA GLN 76 19.278 23.982 -40.790 526 1HB GLN 76 1HB GLN 76 17.566 25.207 -41.878 527 2HB GLN 76 2HB GLN 76 16.753 24.185 -40.700 528 1HG GLN 76 2HG GLN 76 17.217 26.497 -39.292 529 2HG GLN 76 1HG GLN 76 15.696 26.025 -40.050 530 2HE2 GLN 76 1HE2 GLN 76 17.716 28.514 -39.713 531 1HE2 GLN 76 2HE2 GLN 76 17.449 29.348 -41.201 532 H ASP 77 H ASP 77 19.777 25.746 -38.096 533 HA ASP 77 HA ASP 77 20.787 28.109 -39.512 534 1HB ASP 77 1HB ASP 77 19.426 27.798 -37.058 535 2HB ASP 77 2HB ASP 77 21.069 28.288 -36.657 536 H GLY 78 H GLY 78 21.870 26.502 -36.544 537 1HA GLY 78 1HA GLY 78 24.082 25.170 -37.187 538 2HA GLY 78 2HA GLY 78 24.630 26.823 -37.414 539 H HIS 79 H HIS 79 22.394 25.666 -34.946 540 HA HIS 79 HA HIS 79 24.250 26.660 -32.906 541 1HB HIS 79 1HB HIS 79 21.467 25.819 -32.235 542 2HB HIS 79 2HB HIS 79 22.436 27.127 -31.564 543 HD1 HIS 79 HD1 HIS 79 19.463 26.859 -33.234 544 HD2 HIS 79 HD2 HIS 79 22.910 29.023 -34.075 545 HE1 HIS 79 HE1 HIS 79 18.732 28.722 -34.757 546 HE2 HIS 79 HE2 HIS 79 20.850 29.964 -35.324 547 H LEU 80 H LEU 80 25.393 25.276 -31.735 548 HA LEU 80 HA LEU 80 25.211 22.484 -32.023 549 1HB LEU 80 1HB LEU 80 26.694 24.342 -30.232 550 2HB LEU 80 2HB LEU 80 26.604 22.655 -29.762 551 HG LEU 80 HG LEU 80 27.520 22.092 -32.062 552 1HD1 LEU 80 1HD1 LEU 80 27.954 25.070 -32.055 553 2HD1 LEU 80 2HD1 LEU 80 28.858 23.959 -33.083 554 3HD1 LEU 80 3HD1 LEU 80 27.108 24.098 -33.259 555 1HD2 LEU 80 1HD2 LEU 80 29.179 23.651 -30.087 556 2HD2 LEU 80 2HD2 LEU 80 28.911 21.909 -30.119 557 3HD2 LEU 80 3HD2 LEU 80 29.847 22.680 -31.400 558 H TRP 81 H TRP 81 24.427 20.877 -30.668 559 HA TRP 81 HA TRP 81 22.975 21.613 -28.266 560 1HB TRP 81 1HB TRP 81 20.884 20.545 -29.004 561 2HB TRP 81 2HB TRP 81 21.291 21.933 -30.007 562 HD1 TRP 81 HD1 TRP 81 21.878 21.483 -32.550 563 HE1 TRP 81 HE1 TRP 81 21.563 19.436 -34.077 564 HE3 TRP 81 HE3 TRP 81 20.929 17.944 -28.983 565 HZ2 TRP 81 HZ2 TRP 81 20.987 16.687 -33.807 566 HZ3 TRP 81 HZ3 TRP 81 20.506 15.631 -29.702 567 HH2 TRP 81 HH2 TRP 81 20.535 15.016 -32.065 568 H CYS 82 H CYS 82 21.980 19.601 -27.243 569 HA CYS 82 HA CYS 82 23.332 17.115 -27.922 570 1HB CYS 82 2HB CYS 82 24.848 18.377 -26.357 571 2HB CYS 82 1HB CYS 82 24.343 16.794 -25.777 572 H SER 83 H SER 83 22.663 15.461 -25.987 573 HA SER 83 HA SER 83 19.751 15.803 -25.685 574 1HB SER 83 2HB SER 83 20.638 13.951 -27.232 575 2HB SER 83 1HB SER 83 19.441 13.488 -26.020 576 HG SER 83 HG SER 83 22.220 13.018 -26.035 577 H THR 84 H THR 84 19.105 16.092 -23.661 578 HA THR 84 HA THR 84 20.852 15.736 -21.447 579 HB THR 84 HB THR 84 19.282 16.788 -20.170 580 HG1 THR 84 HG1 THR 84 17.089 16.358 -20.279 581 1HG2 THR 84 1HG2 THR 84 19.637 18.060 -22.335 582 2HG2 THR 84 2HG2 THR 84 18.065 17.450 -22.847 583 3HG2 THR 84 3HG2 THR 84 18.188 18.481 -21.423 584 H THR 85 H THR 85 19.122 13.510 -23.190 585 HA THR 85 HA THR 85 19.472 11.517 -21.123 586 HB THR 85 HB THR 85 16.937 12.682 -21.400 587 HG1 THR 85 HG1 THR 85 17.723 11.654 -19.538 588 1HG2 THR 85 1HG2 THR 85 16.989 9.930 -22.646 589 2HG2 THR 85 2HG2 THR 85 15.534 10.699 -22.015 590 3HG2 THR 85 3HG2 THR 85 16.394 11.423 -23.373 591 H SER 86 H SER 86 19.206 9.313 -21.935 592 HA SER 86 HA SER 86 20.507 8.881 -24.343 593 1HB SER 86 1HB SER 86 18.856 6.617 -23.842 594 2HB SER 86 2HB SER 86 20.570 6.815 -23.482 595 HG SER 86 HG SER 86 18.422 6.856 -21.805 596 H ASN 87 H ASN 87 17.038 8.360 -23.686 597 HA ASN 87 HA ASN 87 16.433 8.066 -26.476 598 1HB ASN 87 1HB ASN 87 15.195 7.293 -24.150 599 2HB ASN 87 2HB ASN 87 14.184 8.634 -24.677 600 2HD2 ASN 87 1HD2 ASN 87 13.827 5.652 -24.574 601 1HD2 ASN 87 2HD2 ASN 87 13.276 5.232 -26.157 602 H TYR 88 H TYR 88 17.097 10.007 -27.447 603 HA TYR 88 HA TYR 88 16.007 12.520 -26.542 604 1HB TYR 88 1HB TYR 88 18.176 12.695 -27.458 605 2HB TYR 88 2HB TYR 88 17.755 11.710 -28.856 606 HD1 TYR 88 HD1 TYR 88 16.507 14.852 -27.253 607 HD2 TYR 88 HD2 TYR 88 17.614 12.858 -30.843 608 HE1 TYR 88 HE1 TYR 88 16.011 16.893 -28.529 609 HE2 TYR 88 HE2 TYR 88 17.122 14.894 -32.133 610 HH TYR 88 HH TYR 88 16.972 17.792 -31.009 611 H GLU 89 H GLU 89 15.336 10.137 -29.005 612 HA GLU 89 HA GLU 89 13.446 11.799 -30.403 613 1HB GLU 89 1HB GLU 89 14.328 8.942 -30.638 614 2HB GLU 89 2HB GLU 89 12.892 9.498 -31.489 615 1HG GLU 89 1HG GLU 89 14.421 11.350 -32.409 616 2HG GLU 89 2HG GLU 89 15.743 10.316 -31.870 617 H GLN 90 H GLN 90 13.284 10.540 -27.453 618 HA GLN 90 HA GLN 90 10.425 9.873 -27.683 619 1HB GLN 90 1HB GLN 90 11.477 7.888 -26.974 620 2HB GLN 90 2HB GLN 90 12.556 8.751 -25.886 621 1HG GLN 90 1HG GLN 90 11.026 7.728 -24.472 622 2HG GLN 90 2HG GLN 90 10.449 9.389 -24.593 623 2HE2 GLN 90 1HE2 GLN 90 8.320 9.128 -24.283 624 1HE2 GLN 90 2HE2 GLN 90 7.290 8.156 -25.273 625 H ASP 91 H ASP 91 12.866 11.183 -25.467 626 HA ASP 91 HA ASP 91 10.886 12.472 -23.830 627 1HB ASP 91 1HB ASP 91 13.856 12.252 -23.825 628 2HB ASP 91 2HB ASP 91 13.135 13.611 -22.966 629 H GLN 92 H GLN 92 12.857 13.339 -26.555 630 HA GLN 92 HA GLN 92 13.043 15.243 -27.788 631 1HB GLN 92 1HB GLN 92 10.281 15.263 -26.738 632 2HB GLN 92 2HB GLN 92 10.874 16.807 -27.333 633 1HG GLN 92 1HG GLN 92 11.204 14.366 -29.010 634 2HG GLN 92 2HG GLN 92 9.633 15.162 -28.922 635 2HE2 GLN 92 1HE2 GLN 92 12.169 14.910 -30.822 636 1HE2 GLN 92 2HE2 GLN 92 12.248 16.498 -31.499 637 H LYS 93 H LYS 93 14.519 15.343 -25.534 638 HA LYS 93 HA LYS 93 14.283 18.163 -24.760 639 1HB LYS 93 1HB LYS 93 14.582 17.771 -22.510 640 2HB LYS 93 2HB LYS 93 13.604 16.387 -22.966 641 1HG LYS 93 1HG LYS 93 16.601 16.345 -22.679 642 2HG LYS 93 2HG LYS 93 15.460 15.836 -21.441 643 1HD LYS 93 1HD LYS 93 15.250 13.832 -22.373 644 2HD LYS 93 2HD LYS 93 14.844 14.550 -23.932 645 1HE LYS 93 1HE LYS 93 17.663 14.810 -23.336 646 2HE LYS 93 2HE LYS 93 17.144 13.126 -23.297 647 1HZ LYS 93 1HZ LYS 93 15.950 14.088 -25.528 648 2HZ LYS 93 2HZ LYS 93 17.434 14.900 -25.536 649 3HZ LYS 93 3HZ LYS 93 17.396 13.210 -25.496 650 H TYR 94 H TYR 94 15.895 19.126 -25.743 651 HA TYR 94 HA TYR 94 18.570 17.903 -25.588 652 1HB TYR 94 1HB TYR 94 19.060 18.561 -27.793 653 2HB TYR 94 2HB TYR 94 17.415 17.946 -27.888 654 HD1 TYR 94 HD1 TYR 94 19.347 21.110 -27.546 655 HD2 TYR 94 HD2 TYR 94 15.719 19.270 -28.793 656 HE1 TYR 94 HE1 TYR 94 18.615 23.237 -28.539 657 HE2 TYR 94 HE2 TYR 94 14.977 21.392 -29.788 658 HH TYR 94 HH TYR 94 15.402 23.757 -29.613 659 H SER 95 H SER 95 20.358 19.426 -25.611 660 HA SER 95 HA SER 95 19.610 22.099 -24.628 661 1HB SER 95 2HB SER 95 20.687 21.734 -22.700 662 2HB SER 95 1HB SER 95 22.157 21.304 -23.574 663 HG SER 95 HG SER 95 20.993 19.681 -22.119 664 H PHE 96 H PHE 96 20.618 23.778 -25.551 665 HA PHE 96 HA PHE 96 22.121 23.411 -27.912 666 1HB PHE 96 1HB PHE 96 21.393 25.781 -26.229 667 2HB PHE 96 2HB PHE 96 22.573 25.964 -27.523 668 HD1 PHE 96 HD1 PHE 96 21.427 24.092 -29.527 669 HD2 PHE 96 HD2 PHE 96 19.569 26.989 -27.025 670 HE1 PHE 96 HE1 PHE 96 19.603 24.328 -31.161 671 HE2 PHE 96 HE2 PHE 96 17.739 27.230 -28.653 672 HZ PHE 96 HZ PHE 96 17.755 25.898 -30.725 673 H CYS 97 H CYS 97 24.214 24.999 -28.044 674 HA CYS 97 HA CYS 97 25.996 24.599 -25.796 675 1HB CYS 97 1HB CYS 97 25.909 22.636 -27.764 676 2HB CYS 97 2HB CYS 97 27.300 23.620 -28.205 677 H THR 98 H THR 98 27.426 26.217 -25.647 678 HA THR 98 HA THR 98 27.300 28.497 -27.182 679 HB THR 98 HB THR 98 29.319 29.223 -26.108 680 HG1 THR 98 HG1 THR 98 29.779 26.698 -24.970 681 1HG2 THR 98 1HG2 THR 98 27.271 27.768 -24.577 682 2HG2 THR 98 2HG2 THR 98 28.759 28.128 -23.701 683 3HG2 THR 98 3HG2 THR 98 27.825 29.436 -24.428 684 H ASP 99 H ASP 99 30.235 26.535 -27.118 685 HA ASP 99 HA ASP 99 30.404 25.937 -29.830 686 1HB ASP 99 1HB ASP 99 30.665 28.643 -29.530 687 2HB ASP 99 2HB ASP 99 32.345 28.120 -29.473 688 H HIS 100 H HIS 100 32.054 26.780 -26.868 689 HA HIS 100 HA HIS 100 34.592 25.804 -27.298 690 1HB HIS 100 1HB HIS 100 32.851 25.773 -24.839 691 2HB HIS 100 2HB HIS 100 34.503 25.165 -24.810 692 HD1 HIS 100 HD1 HIS 100 36.115 27.198 -26.206 693 HD2 HIS 100 HD2 HIS 100 32.901 28.256 -23.794 694 HE1 HIS 100 HE1 HIS 100 36.528 29.589 -25.546 695 HE2 HIS 100 HE2 HIS 100 34.520 30.237 -24.168 696 H THR 101 H THR 101 35.600 23.775 -26.724 697 HA THR 101 HA THR 101 33.826 21.483 -27.248 698 HB THR 101 HB THR 101 35.562 21.853 -28.966 699 HG1 THR 101 HG1 THR 101 35.532 19.749 -29.117 700 1HG2 THR 101 1HG2 THR 101 37.267 21.996 -26.592 701 2HG2 THR 101 2HG2 THR 101 37.905 20.953 -27.864 702 3HG2 THR 101 3HG2 THR 101 37.528 22.640 -28.213 No H/Q in entry = 702 Start of MODEL 31 1 H1 TYR 1 H1 TYR 1 54.755 6.992 -41.379 2 H2 TYR 1 H2 TYR 1 56.443 6.988 -41.266 3 H3 TYR 1 H3 TYR 1 55.513 6.242 -40.065 4 HA TYR 1 HA TYR 1 55.702 8.117 -38.921 5 1HB TYR 1 1HB TYR 1 57.003 8.837 -41.413 6 2HB TYR 1 2HB TYR 1 56.182 10.221 -40.702 7 HD1 TYR 1 HD1 TYR 1 58.066 7.353 -39.218 8 HD2 TYR 1 HD2 TYR 1 57.723 11.572 -39.641 9 HE1 TYR 1 HE1 TYR 1 59.940 7.655 -37.657 10 HE2 TYR 1 HE2 TYR 1 59.597 11.886 -38.081 11 HH TYR 1 HH TYR 1 60.664 9.694 -36.020 12 H GLY 2 H GLY 2 53.812 8.769 -38.137 13 1HA GLY 2 1HA GLY 2 52.147 10.594 -38.339 14 2HA GLY 2 2HA GLY 2 51.910 10.059 -39.995 15 H HIS 3 H HIS 3 52.339 7.800 -37.376 16 HA HIS 3 HA HIS 3 49.487 7.095 -37.579 17 1HB HIS 3 1HB HIS 3 51.933 5.439 -37.714 18 2HB HIS 3 2HB HIS 3 50.620 4.783 -36.743 19 HD1 HIS 3 HD1 HIS 3 51.778 5.095 -40.174 20 HD2 HIS 3 HD2 HIS 3 48.133 4.496 -38.270 21 HE1 HIS 3 HE1 HIS 3 50.226 4.226 -41.952 22 HE2 HIS 3 HE2 HIS 3 48.058 3.770 -40.752 23 H CYS 4 H CYS 4 48.354 6.979 -35.738 24 HA CYS 4 HA CYS 4 49.837 7.311 -33.215 25 1HB CYS 4 1HB CYS 4 47.310 8.034 -32.558 26 2HB CYS 4 2HB CYS 4 48.532 9.158 -33.132 27 H VAL 5 H VAL 5 48.661 6.434 -31.266 28 HA VAL 5 HA VAL 5 47.013 4.090 -31.802 29 HB VAL 5 HB VAL 5 48.402 2.566 -30.551 30 1HG1 VAL 5 1HG1 VAL 5 48.817 2.964 -33.011 31 2HG1 VAL 5 2HG1 VAL 5 50.210 3.931 -32.529 32 3HG1 VAL 5 3HG1 VAL 5 50.141 2.218 -32.115 33 1HG2 VAL 5 1HG2 VAL 5 49.564 4.918 -29.527 34 2HG2 VAL 5 2HG2 VAL 5 49.920 3.249 -29.083 35 3HG2 VAL 5 3HG2 VAL 5 50.846 4.039 -30.359 36 H THR 6 H THR 6 46.921 2.934 -29.375 37 HA THR 6 HA THR 6 46.595 4.941 -27.311 38 HB THR 6 HB THR 6 44.430 5.318 -27.784 39 HG1 THR 6 HG1 THR 6 44.025 4.099 -25.991 40 1HG2 THR 6 1HG2 THR 6 44.539 2.783 -29.400 41 2HG2 THR 6 2HG2 THR 6 43.043 3.685 -29.158 42 3HG2 THR 6 3HG2 THR 6 44.409 4.445 -29.975 43 H ASP 7 H ASP 7 44.946 1.834 -27.662 44 HA ASP 7 HA ASP 7 46.310 0.900 -25.251 45 1HB ASP 7 1HB ASP 7 43.826 0.008 -26.702 46 2HB ASP 7 2HB ASP 7 44.571 -0.982 -25.450 47 H SER 8 H SER 8 47.064 0.857 -28.354 48 HA SER 8 HA SER 8 48.680 -0.368 -29.442 49 1HB SER 8 1HB SER 8 49.885 -1.957 -28.336 50 2HB SER 8 2HB SER 8 49.033 -1.306 -26.936 51 HG SER 8 HG SER 8 47.678 -3.010 -26.949 52 H GLY 9 H GLY 9 45.658 -0.576 -29.580 53 1HA GLY 9 1HA GLY 9 45.585 -3.077 -31.153 54 2HA GLY 9 2HA GLY 9 44.227 -2.552 -30.168 55 H VAL 10 H VAL 10 44.664 0.282 -30.916 56 HA VAL 10 HA VAL 10 43.562 0.134 -33.646 57 HB VAL 10 HB VAL 10 43.013 2.243 -31.553 58 1HG1 VAL 10 1HG1 VAL 10 42.932 2.934 -33.976 59 2HG1 VAL 10 2HG1 VAL 10 41.599 1.797 -34.172 60 3HG1 VAL 10 3HG1 VAL 10 41.438 3.163 -33.067 61 1HG2 VAL 10 1HG2 VAL 10 42.069 -0.090 -31.152 62 2HG2 VAL 10 2HG2 VAL 10 40.919 1.246 -31.170 63 3HG2 VAL 10 3HG2 VAL 10 41.069 0.193 -32.577 64 H VAL 11 H VAL 11 45.302 0.539 -34.910 65 HA VAL 11 HA VAL 11 47.266 2.526 -34.253 66 HB VAL 11 HB VAL 11 46.797 0.882 -36.738 67 1HG1 VAL 11 1HG1 VAL 11 48.657 3.147 -36.248 68 2HG1 VAL 11 2HG1 VAL 11 49.249 1.766 -37.170 69 3HG1 VAL 11 3HG1 VAL 11 47.834 2.658 -37.729 70 1HG2 VAL 11 1HG2 VAL 11 47.683 -0.138 -34.562 71 2HG2 VAL 11 2HG2 VAL 11 48.608 -0.427 -36.036 72 3HG2 VAL 11 3HG2 VAL 11 49.151 0.786 -34.877 73 H TYR 12 H TYR 12 45.958 4.412 -34.036 74 HA TYR 12 HA TYR 12 44.337 5.426 -36.128 75 1HB TYR 12 1HB TYR 12 45.639 6.763 -33.753 76 2HB TYR 12 2HB TYR 12 44.563 7.605 -34.861 77 HD1 TYR 12 HD1 TYR 12 42.250 6.304 -35.259 78 HD2 TYR 12 HD2 TYR 12 44.720 5.956 -31.815 79 HE1 TYR 12 HE1 TYR 12 40.309 5.542 -33.952 80 HE2 TYR 12 HE2 TYR 12 42.786 5.192 -30.497 81 HH TYR 12 HH TYR 12 40.631 4.232 -30.776 82 H SER 13 H SER 13 44.873 7.772 -36.928 83 HA SER 13 HA SER 13 47.659 7.873 -37.855 84 1HB SER 13 1HB SER 13 45.142 7.963 -39.471 85 2HB SER 13 2HB SER 13 46.537 8.898 -40.008 86 HG SER 13 HG SER 13 47.681 7.062 -40.277 87 H VAL 14 H VAL 14 48.610 9.802 -37.675 88 HA VAL 14 HA VAL 14 47.991 11.794 -36.074 89 HB VAL 14 HB VAL 14 50.047 11.893 -37.292 90 1HG1 VAL 14 1HG1 VAL 14 48.686 11.197 -39.483 91 2HG1 VAL 14 2HG1 VAL 14 48.842 12.927 -39.789 92 3HG1 VAL 14 3HG1 VAL 14 50.284 11.941 -39.545 93 1HG2 VAL 14 1HG2 VAL 14 48.302 14.163 -37.034 94 2HG2 VAL 14 2HG2 VAL 14 50.045 14.059 -36.789 95 3HG2 VAL 14 3HG2 VAL 14 49.399 14.385 -38.397 96 H GLY 15 H GLY 15 45.755 12.120 -35.895 97 1HA GLY 15 1HA GLY 15 44.413 14.189 -36.426 98 2HA GLY 15 2HA GLY 15 44.544 13.672 -38.098 99 H MET 16 H MET 16 44.178 11.149 -35.806 100 HA MET 16 HA MET 16 41.433 10.730 -36.734 101 1HB MET 16 1HB MET 16 43.637 9.016 -36.378 102 2HB MET 16 2HB MET 16 42.471 8.568 -35.142 103 1HG MET 16 1HG MET 16 41.297 7.453 -36.637 104 2HG MET 16 2HG MET 16 41.069 8.925 -37.578 105 1HE MET 16 1HE MET 16 42.389 5.724 -37.037 106 2HE MET 16 2HE MET 16 42.260 5.304 -38.744 107 3HE MET 16 3HE MET 16 43.848 5.481 -37.997 108 H GLN 17 H GLN 17 39.817 11.275 -35.442 109 HA GLN 17 HA GLN 17 40.318 11.620 -32.581 110 1HB GLN 17 1HB GLN 17 38.192 12.591 -34.463 111 2HB GLN 17 2HB GLN 17 37.908 12.594 -32.727 112 1HG GLN 17 1HG GLN 17 39.952 13.966 -32.448 113 2HG GLN 17 2HG GLN 17 40.090 14.046 -34.204 114 2HE2 GLN 17 1HE2 GLN 17 39.230 15.807 -31.683 115 1HE2 GLN 17 2HE2 GLN 17 37.970 16.773 -32.363 116 H TRP 18 H TRP 18 39.515 10.288 -31.072 117 HA TRP 18 HA TRP 18 37.306 8.498 -31.748 118 1HB TRP 18 1HB TRP 18 38.468 6.512 -31.065 119 2HB TRP 18 2HB TRP 18 39.462 7.323 -32.273 120 HD1 TRP 18 HD1 TRP 18 39.365 6.506 -28.533 121 HE1 TRP 18 HE1 TRP 18 41.720 6.856 -27.554 122 HE3 TRP 18 HE3 TRP 18 41.639 8.609 -32.605 123 HZ2 TRP 18 HZ2 TRP 18 44.208 7.888 -28.395 124 HZ3 TRP 18 HZ3 TRP 18 44.005 9.249 -32.433 125 HH2 TRP 18 HH2 TRP 18 45.261 8.895 -30.372 126 H LEU 19 H LEU 19 37.282 6.905 -29.554 127 HA LEU 19 HA LEU 19 37.282 8.709 -27.236 128 1HB LEU 19 1HB LEU 19 34.986 8.189 -28.493 129 2HB LEU 19 2HB LEU 19 35.057 6.757 -27.488 130 HG LEU 19 HG LEU 19 35.393 8.391 -25.523 131 1HD1 LEU 19 1HD1 LEU 19 35.808 10.341 -27.046 132 2HD1 LEU 19 2HD1 LEU 19 34.092 10.299 -27.448 133 3HD1 LEU 19 3HD1 LEU 19 34.601 10.610 -25.790 134 1HD2 LEU 19 1HD2 LEU 19 32.942 7.691 -27.007 135 2HD2 LEU 19 2HD2 LEU 19 33.390 7.367 -25.333 136 3HD2 LEU 19 3HD2 LEU 19 32.784 8.959 -25.791 137 H LYS 20 H LYS 20 38.093 7.819 -25.433 138 HA LYS 20 HA LYS 20 38.565 4.910 -25.452 139 1HB LYS 20 1HB LYS 20 40.545 5.335 -24.071 140 2HB LYS 20 2HB LYS 20 40.641 6.186 -25.607 141 1HG LYS 20 1HG LYS 20 40.093 8.267 -24.563 142 2HG LYS 20 2HG LYS 20 39.757 7.460 -23.028 143 1HD LYS 20 1HD LYS 20 42.443 7.455 -24.399 144 2HD LYS 20 2HD LYS 20 41.981 8.587 -23.127 145 1HE LYS 20 1HE LYS 20 42.281 7.066 -21.511 146 2HE LYS 20 2HE LYS 20 41.473 5.800 -22.435 147 1HZ LYS 20 1HZ LYS 20 43.878 6.253 -23.709 148 2HZ LYS 20 2HZ LYS 20 44.246 6.239 -22.058 149 3HZ LYS 20 3HZ LYS 20 43.463 4.915 -22.760 150 H THR 21 H THR 21 39.002 4.107 -23.112 151 HA THR 21 HA THR 21 37.097 5.340 -21.245 152 HB THR 21 HB THR 21 36.930 2.608 -20.724 153 HG1 THR 21 HG1 THR 21 36.070 2.094 -23.017 154 1HG2 THR 21 1HG2 THR 21 35.124 4.626 -22.007 155 2HG2 THR 21 2HG2 THR 21 34.610 2.947 -21.846 156 3HG2 THR 21 3HG2 THR 21 35.014 3.886 -20.410 157 H GLN 22 H GLN 22 37.469 4.833 -19.014 158 HA GLN 22 HA GLN 22 40.256 4.048 -18.486 159 1HB GLN 22 2HB GLN 22 40.255 5.491 -16.592 160 2HB GLN 22 1HB GLN 22 38.512 5.704 -16.669 161 1HG GLN 22 1HG GLN 22 39.759 6.529 -19.130 162 2HG GLN 22 2HG GLN 22 38.703 7.429 -18.043 163 2HE2 GLN 22 1HE2 GLN 22 41.964 6.738 -18.956 164 1HE2 GLN 22 2HE2 GLN 22 42.717 7.957 -17.990 165 H GLY 23 H GLY 23 37.931 2.254 -18.733 166 1HA GLY 23 1HA GLY 23 37.461 0.229 -17.694 167 2HA GLY 23 2HA GLY 23 38.396 0.758 -16.305 168 H ASN 24 H ASN 24 36.182 3.116 -17.193 169 HA ASN 24 HA ASN 24 33.796 2.151 -16.061 170 1HB ASN 24 1HB ASN 24 33.987 3.691 -13.957 171 2HB ASN 24 2HB ASN 24 34.683 2.074 -13.917 172 2HD2 ASN 24 1HD2 ASN 24 36.348 2.319 -12.571 173 1HD2 ASN 24 2HD2 ASN 24 37.644 3.440 -12.792 174 H LYS 25 H LYS 25 35.864 5.009 -16.410 175 HA LYS 25 HA LYS 25 33.522 6.666 -16.959 176 1HB LYS 25 2HB LYS 25 35.044 8.554 -16.845 177 2HB LYS 25 1HB LYS 25 36.430 7.474 -16.797 178 1HG LYS 25 1HG LYS 25 34.478 8.155 -14.667 179 2HG LYS 25 2HG LYS 25 35.202 6.546 -14.660 180 1HD LYS 25 1HD LYS 25 37.444 7.788 -14.914 181 2HD LYS 25 2HD LYS 25 36.542 9.219 -14.408 182 1HE LYS 25 1HE LYS 25 35.776 7.841 -12.415 183 2HE LYS 25 2HE LYS 25 37.013 6.673 -12.877 184 1HZ LYS 25 1HZ LYS 25 37.867 9.446 -12.648 185 2HZ LYS 25 2HZ LYS 25 37.466 8.666 -11.201 186 3HZ LYS 25 3HZ LYS 25 38.669 8.024 -12.203 187 H GLN 26 H GLN 26 33.826 8.298 -18.794 188 HA GLN 26 HA GLN 26 34.987 6.933 -21.132 189 1HB GLN 26 1HB GLN 26 32.306 8.130 -20.712 190 2HB GLN 26 2HB GLN 26 33.054 8.411 -22.278 191 1HG GLN 26 1HG GLN 26 32.790 6.284 -22.934 192 2HG GLN 26 2HG GLN 26 33.154 5.634 -21.336 193 2HE2 GLN 26 1HE2 GLN 26 30.913 5.421 -23.488 194 1HE2 GLN 26 2HE2 GLN 26 29.473 5.445 -22.533 195 H MET 27 H MET 27 36.420 8.068 -22.267 196 HA MET 27 HA MET 27 36.365 10.993 -22.135 197 1HB MET 27 1HB MET 27 38.085 9.648 -20.567 198 2HB MET 27 2HB MET 27 39.049 9.742 -22.033 199 1HG MET 27 1HG MET 27 38.048 12.300 -21.701 200 2HG MET 27 2HG MET 27 38.446 11.772 -20.069 201 1HE MET 27 1HE MET 27 39.950 13.035 -19.368 202 2HE MET 27 2HE MET 27 41.549 12.292 -19.390 203 3HE MET 27 3HE MET 27 41.270 13.806 -20.248 204 H LEU 28 H LEU 28 37.282 12.042 -23.940 205 HA LEU 28 HA LEU 28 37.518 10.330 -26.305 206 1HB LEU 28 1HB LEU 28 35.904 12.129 -26.475 207 2HB LEU 28 2HB LEU 28 37.117 13.309 -26.015 208 HG LEU 28 HG LEU 28 38.097 11.935 -28.297 209 1HD1 LEU 28 1HD1 LEU 28 35.679 11.343 -28.615 210 2HD1 LEU 28 2HD1 LEU 28 35.354 13.068 -28.775 211 3HD1 LEU 28 3HD1 LEU 28 36.411 12.259 -29.931 212 1HD2 LEU 28 1HD2 LEU 28 37.190 14.706 -27.638 213 2HD2 LEU 28 2HD2 LEU 28 38.815 14.111 -27.980 214 3HD2 LEU 28 3HD2 LEU 28 37.647 14.287 -29.289 215 H CYS 29 H CYS 29 39.384 10.110 -27.413 216 HA CYS 29 HA CYS 29 41.634 11.829 -26.614 217 1HB CYS 29 1HB CYS 29 41.664 9.394 -25.768 218 2HB CYS 29 2HB CYS 29 42.013 8.965 -27.440 219 H THR 30 H THR 30 42.970 12.565 -28.160 220 HA THR 30 HA THR 30 42.447 11.741 -30.936 221 HB THR 30 HB THR 30 42.738 14.609 -30.019 222 HG1 THR 30 HG1 THR 30 40.556 12.970 -30.475 223 1HG2 THR 30 1HG2 THR 30 42.447 13.356 -32.744 224 2HG2 THR 30 2HG2 THR 30 42.088 15.054 -32.432 225 3HG2 THR 30 3HG2 THR 30 43.720 14.435 -32.170 226 H CYS 31 H CYS 31 44.186 11.851 -32.335 227 HA CYS 31 HA CYS 31 46.787 12.266 -31.029 228 1HB CYS 31 1HB CYS 31 47.720 10.771 -32.729 229 2HB CYS 31 2HB CYS 31 46.422 9.984 -31.837 230 H LEU 32 H LEU 32 47.415 14.283 -31.422 231 HA LEU 32 HA LEU 32 46.791 15.635 -33.880 232 1HB LEU 32 1HB LEU 32 48.485 17.336 -32.755 233 2HB LEU 32 2HB LEU 32 46.822 17.187 -32.223 234 HG LEU 32 HG LEU 32 48.737 15.416 -30.848 235 1HD1 LEU 32 1HD1 LEU 32 49.059 18.356 -30.903 236 2HD1 LEU 32 2HD1 LEU 32 49.184 17.549 -29.340 237 3HD1 LEU 32 3HD1 LEU 32 50.256 17.082 -30.660 238 1HD2 LEU 32 1HD2 LEU 32 46.535 17.266 -29.940 239 2HD2 LEU 32 2HD2 LEU 32 46.401 15.526 -30.200 240 3HD2 LEU 32 3HD2 LEU 32 47.423 16.149 -28.904 241 H GLY 33 H GLY 33 49.986 16.163 -32.624 242 1HA GLY 33 1HA GLY 33 51.146 14.677 -34.885 243 2HA GLY 33 2HA GLY 33 51.546 16.371 -34.655 244 H ASN 34 H ASN 34 51.707 16.326 -31.816 245 HA ASN 34 HA ASN 34 54.384 15.382 -31.524 246 1HB ASN 34 2HB ASN 34 53.248 17.408 -30.376 247 2HB ASN 34 1HB ASN 34 54.385 16.444 -29.438 248 2HD2 ASN 34 1HD2 ASN 34 53.649 16.577 -27.427 249 1HD2 ASN 34 2HD2 ASN 34 52.048 16.174 -26.920 250 H GLY 35 H GLY 35 51.234 14.345 -30.328 251 1HA GLY 35 1HA GLY 35 52.135 11.635 -30.082 252 2HA GLY 35 2HA GLY 35 51.906 12.404 -28.518 253 H VAL 36 H VAL 36 49.976 12.153 -27.634 254 HA VAL 36 HA VAL 36 47.571 12.264 -29.230 255 HB VAL 36 HB VAL 36 48.470 9.706 -27.932 256 1HG1 VAL 36 1HG1 VAL 36 45.740 10.791 -28.053 257 2HG1 VAL 36 2HG1 VAL 36 45.922 9.139 -28.644 258 3HG1 VAL 36 3HG1 VAL 36 46.424 9.549 -27.005 259 1HG2 VAL 36 1HG2 VAL 36 47.933 10.664 -30.615 260 2HG2 VAL 36 2HG2 VAL 36 48.842 9.251 -30.080 261 3HG2 VAL 36 3HG2 VAL 36 47.089 9.161 -30.248 262 H SER 37 H SER 37 46.265 13.531 -28.115 263 HA SER 37 HA SER 37 46.410 13.488 -25.177 264 1HB SER 37 1HB SER 37 46.931 15.661 -26.276 265 2HB SER 37 2HB SER 37 45.309 15.668 -26.968 266 HG SER 37 HG SER 37 44.646 16.468 -25.157 267 H CYS 38 H CYS 38 44.309 14.000 -24.072 268 HA CYS 38 HA CYS 38 41.880 13.340 -25.466 269 1HB CYS 38 1HB CYS 38 42.080 11.510 -23.233 270 2HB CYS 38 2HB CYS 38 41.631 11.181 -24.893 271 H GLN 39 H GLN 39 40.128 14.169 -24.446 272 HA GLN 39 HA GLN 39 40.499 15.153 -21.694 273 1HB GLN 39 1HB GLN 39 38.620 16.824 -22.981 274 2HB GLN 39 2HB GLN 39 40.226 17.249 -22.404 275 1HG GLN 39 1HG GLN 39 41.130 16.477 -24.600 276 2HG GLN 39 2HG GLN 39 39.466 16.295 -25.152 277 2HE2 GLN 39 1HE2 GLN 39 38.100 18.246 -24.996 278 1HE2 GLN 39 2HE2 GLN 39 38.829 19.777 -25.324 279 H GLU 40 H GLU 40 38.676 15.184 -20.368 280 HA GLU 40 HA GLU 40 37.016 13.071 -20.291 281 1HB GLU 40 1HB GLU 40 35.517 14.393 -18.849 282 2HB GLU 40 2HB GLU 40 37.213 14.633 -18.448 283 1HG GLU 40 1HG GLU 40 36.889 16.655 -20.160 284 2HG GLU 40 2HG GLU 40 35.238 16.520 -19.560 285 H THR 41 H THR 41 36.382 12.635 -22.454 286 HA THR 41 HA THR 41 34.769 12.379 -24.040 287 HB THR 41 HB THR 41 32.580 12.921 -23.585 288 HG1 THR 41 HG1 THR 41 32.360 15.051 -23.525 289 1HG2 THR 41 1HG2 THR 41 34.140 12.217 -21.366 290 2HG2 THR 41 2HG2 THR 41 33.020 13.451 -20.789 291 3HG2 THR 41 3HG2 THR 41 32.401 11.994 -21.566 292 H ALA 42 H ALA 42 34.765 15.759 -22.981 293 HA ALA 42 HA ALA 42 36.144 17.112 -24.760 294 1HB ALA 42 3HB ALA 42 35.460 16.364 -26.785 295 2HB ALA 42 1HB ALA 42 33.858 15.916 -26.200 296 3HB ALA 42 2HB ALA 42 34.223 17.602 -26.567 297 H VAL 43 H VAL 43 33.234 16.826 -23.019 298 HA VAL 43 HA VAL 43 31.727 18.328 -22.172 299 HB VAL 43 HB VAL 43 34.072 18.708 -21.009 300 1HG1 VAL 43 1HG1 VAL 43 34.301 20.633 -22.933 301 2HG1 VAL 43 2HG1 VAL 43 33.716 21.556 -21.551 302 3HG1 VAL 43 3HG1 VAL 43 35.192 20.602 -21.412 303 1HG2 VAL 43 1HG2 VAL 43 31.461 19.412 -20.475 304 2HG2 VAL 43 2HG2 VAL 43 32.810 19.461 -19.341 305 3HG2 VAL 43 3HG2 VAL 43 32.357 20.912 -20.235 306 H THR 44 H THR 44 31.637 21.080 -22.072 307 HA THR 44 HA THR 44 32.126 22.660 -24.193 308 HB THR 44 HB THR 44 31.257 21.172 -25.820 309 HG1 THR 44 HG1 THR 44 29.372 22.374 -26.553 310 1HG2 THR 44 1HG2 THR 44 29.977 19.716 -24.306 311 2HG2 THR 44 2HG2 THR 44 28.745 20.967 -24.153 312 3HG2 THR 44 3HG2 THR 44 29.023 20.189 -25.710 313 H GLN 45 H GLN 45 30.295 24.313 -24.661 314 HA GLN 45 HA GLN 45 29.223 25.097 -22.077 315 1HB GLN 45 2HB GLN 45 29.019 27.251 -22.948 316 2HB GLN 45 1HB GLN 45 28.851 26.674 -24.600 317 1HG GLN 45 1HG GLN 45 31.248 25.967 -24.505 318 2HG GLN 45 2HG GLN 45 30.972 27.706 -24.431 319 2HE2 GLN 45 1HE2 GLN 45 33.241 26.075 -23.521 320 1HE2 GLN 45 2HE2 GLN 45 33.438 26.441 -21.844 321 H THR 46 H THR 46 26.992 25.873 -21.881 322 HA THR 46 HA THR 46 25.108 24.786 -23.828 323 HB THR 46 HB THR 46 23.756 23.699 -22.062 324 HG1 THR 46 HG1 THR 46 24.290 24.325 -20.101 325 1HG2 THR 46 1HG2 THR 46 26.436 22.803 -22.893 326 2HG2 THR 46 2HG2 THR 46 25.751 21.949 -21.511 327 3HG2 THR 46 3HG2 THR 46 24.874 21.997 -23.041 328 H TYR 47 H TYR 47 22.954 25.611 -23.601 329 HA TYR 47 HA TYR 47 22.287 27.575 -21.656 330 1HB TYR 47 1HB TYR 47 22.326 29.563 -22.982 331 2HB TYR 47 2HB TYR 47 23.920 28.827 -23.120 332 HD1 TYR 47 HD1 TYR 47 20.744 29.461 -24.875 333 HD2 TYR 47 HD2 TYR 47 24.727 28.007 -25.220 334 HE1 TYR 47 HE1 TYR 47 20.534 29.485 -27.325 335 HE2 TYR 47 HE2 TYR 47 24.529 28.028 -27.672 336 HH TYR 47 HH TYR 47 21.541 28.436 -29.271 337 H GLY 48 H GLY 48 20.133 28.374 -21.897 338 1HA GLY 48 1HA GLY 48 17.905 27.864 -22.262 339 2HA GLY 48 2HA GLY 48 18.369 28.169 -23.930 340 H GLY 49 H GLY 49 17.661 26.633 -25.237 341 1HA GLY 49 1HA GLY 49 17.335 24.533 -26.127 342 2HA GLY 49 2HA GLY 49 18.322 23.887 -24.825 343 H ASN 50 H ASN 50 17.212 22.311 -23.875 344 HA ASN 50 HA ASN 50 14.369 22.791 -23.265 345 1HB ASN 50 1HB ASN 50 15.218 20.812 -24.826 346 2HB ASN 50 2HB ASN 50 15.483 20.025 -23.273 347 2HD2 ASN 50 1HD2 ASN 50 13.482 20.600 -21.735 348 1HD2 ASN 50 2HD2 ASN 50 11.957 20.177 -22.428 349 H SER 51 H SER 51 17.371 22.687 -21.899 350 HA SER 51 HA SER 51 16.260 21.903 -19.288 351 1HB SER 51 1HB SER 51 18.265 20.553 -20.601 352 2HB SER 51 2HB SER 51 19.171 21.637 -19.544 353 HG SER 51 HG SER 51 18.017 19.382 -18.884 354 H ASN 52 H ASN 52 17.130 24.470 -21.013 355 HA ASN 52 HA ASN 52 17.716 26.608 -20.515 356 1HB ASN 52 1HB ASN 52 16.149 26.469 -18.687 357 2HB ASN 52 2HB ASN 52 17.316 25.603 -17.693 358 2HD2 ASN 52 1HD2 ASN 52 16.970 27.238 -16.108 359 1HD2 ASN 52 2HD2 ASN 52 17.773 28.763 -16.238 360 H GLY 53 H GLY 53 19.701 24.319 -20.598 361 1HA GLY 53 1HA GLY 53 22.048 24.639 -20.821 362 2HA GLY 53 2HA GLY 53 21.965 25.893 -19.594 363 H GLU 54 H GLU 54 21.438 22.393 -19.987 364 HA GLU 54 HA GLU 54 22.589 22.033 -17.298 365 1HB GLU 54 1HB GLU 54 20.473 20.407 -18.712 366 2HB GLU 54 2HB GLU 54 21.267 19.895 -17.230 367 1HG GLU 54 1HG GLU 54 20.398 22.439 -16.639 368 2HG GLU 54 2HG GLU 54 19.098 21.776 -17.627 369 HA PRO 55 HA PRO 55 25.756 19.383 -18.794 370 1HB PRO 55 1HB PRO 55 24.836 17.152 -17.088 371 2HB PRO 55 2HB PRO 55 26.373 18.022 -17.069 372 1HG PRO 55 1HG PRO 55 24.550 18.372 -15.140 373 2HG PRO 55 2HG PRO 55 25.554 19.713 -15.724 374 1HD PRO 55 2HD PRO 55 23.461 20.646 -16.061 375 2HD PRO 55 1HD PRO 55 22.697 19.069 -16.347 376 H CYS 56 H CYS 56 26.094 17.989 -20.452 377 HA CYS 56 HA CYS 56 23.783 16.776 -21.684 378 1HB CYS 56 1HB CYS 56 26.658 16.584 -22.584 379 2HB CYS 56 2HB CYS 56 25.212 16.315 -23.552 380 H VAL 57 H VAL 57 24.356 14.495 -22.752 381 HA VAL 57 HA VAL 57 25.557 12.738 -20.739 382 HB VAL 57 HB VAL 57 23.088 12.889 -20.320 383 1HG1 VAL 57 1HG1 VAL 57 22.964 12.605 -23.106 384 2HG1 VAL 57 2HG1 VAL 57 22.290 11.121 -22.433 385 3HG1 VAL 57 3HG1 VAL 57 21.618 12.684 -21.970 386 1HG2 VAL 57 1HG2 VAL 57 24.695 10.825 -19.989 387 2HG2 VAL 57 2HG2 VAL 57 22.960 10.686 -19.699 388 3HG2 VAL 57 3HG2 VAL 57 23.651 10.105 -21.215 389 H LEU 58 H LEU 58 27.033 13.083 -22.787 390 HA LEU 58 HA LEU 58 26.330 11.077 -24.815 391 1HB LEU 58 1HB LEU 58 28.546 12.242 -25.824 392 2HB LEU 58 2HB LEU 58 26.911 12.773 -26.162 393 HG LEU 58 HG LEU 58 28.434 14.633 -25.622 394 1HD1 LEU 58 1HD1 LEU 58 25.860 14.184 -24.680 395 2HD1 LEU 58 2HD1 LEU 58 26.736 14.857 -23.305 396 3HD1 LEU 58 3HD1 LEU 58 26.681 15.736 -24.833 397 1HD2 LEU 58 1HD2 LEU 58 29.176 12.902 -23.471 398 2HD2 LEU 58 2HD2 LEU 58 29.914 14.419 -23.984 399 3HD2 LEU 58 3HD2 LEU 58 28.590 14.432 -22.820 400 HA PRO 59 HA PRO 59 28.089 10.603 -26.685 401 1HB PRO 59 1HB PRO 59 28.384 7.698 -26.920 402 2HB PRO 59 2HB PRO 59 29.185 8.977 -27.830 403 1HG PRO 59 1HG PRO 59 30.508 7.471 -26.032 404 2HG PRO 59 2HG PRO 59 30.898 9.181 -26.295 405 1HD PRO 59 2HD PRO 59 30.498 9.222 -24.008 406 2HD PRO 59 1HD PRO 59 29.295 7.917 -24.102 407 H PHE 60 H PHE 60 26.107 10.469 -27.543 408 HA PHE 60 HA PHE 60 24.185 8.611 -26.300 409 1HB PHE 60 1HB PHE 60 22.456 10.345 -27.085 410 2HB PHE 60 2HB PHE 60 23.445 10.764 -25.691 411 HD1 PHE 60 HD1 PHE 60 22.940 11.349 -29.290 412 HD2 PHE 60 HD2 PHE 60 24.935 12.604 -25.748 413 HE1 PHE 60 HE1 PHE 60 23.644 13.415 -30.424 414 HE2 PHE 60 HE2 PHE 60 25.644 14.673 -26.875 415 HZ PHE 60 HZ PHE 60 24.997 15.078 -29.216 416 H THR 61 H THR 61 22.136 8.583 -27.978 417 HA THR 61 HA THR 61 23.281 7.992 -30.627 418 HB THR 61 HB THR 61 20.979 6.334 -30.022 419 HG1 THR 61 HG1 THR 61 21.927 5.086 -28.408 420 1HG2 THR 61 1HG2 THR 61 23.839 5.783 -30.820 421 2HG2 THR 61 2HG2 THR 61 22.580 4.550 -30.729 422 3HG2 THR 61 3HG2 THR 61 22.433 5.877 -31.883 423 H TYR 62 H TYR 62 22.296 8.964 -32.262 424 HA TYR 62 HA TYR 62 19.455 9.582 -32.101 425 1HB TYR 62 1HB TYR 62 20.477 11.589 -31.185 426 2HB TYR 62 2HB TYR 62 21.564 11.700 -32.567 427 HD1 TYR 62 HD1 TYR 62 18.019 11.954 -31.530 428 HD2 TYR 62 HD2 TYR 62 20.878 12.734 -34.582 429 HE1 TYR 62 HE1 TYR 62 16.366 13.334 -32.717 430 HE2 TYR 62 HE2 TYR 62 19.234 14.119 -35.777 431 HH TYR 62 HH TYR 62 16.789 14.363 -35.921 432 H ASN 63 H ASN 63 18.468 9.283 -33.996 433 HA ASN 63 HA ASN 63 18.112 8.962 -36.221 434 1HB ASN 63 1HB ASN 63 20.064 10.960 -36.137 435 2HB ASN 63 2HB ASN 63 20.681 9.776 -37.287 436 2HD2 ASN 63 1HD2 ASN 63 19.396 12.553 -37.424 437 1HD2 ASN 63 2HD2 ASN 63 18.219 12.387 -38.678 438 H GLY 64 H GLY 64 20.179 7.327 -34.384 439 1HA GLY 64 1HA GLY 64 20.506 4.979 -34.826 440 2HA GLY 64 2HA GLY 64 20.716 5.375 -36.524 441 H ARG 65 H ARG 65 22.372 7.731 -35.045 442 HA ARG 65 HA ARG 65 24.867 6.170 -35.093 443 1HB ARG 65 2HB ARG 65 24.586 7.983 -36.820 444 2HB ARG 65 1HB ARG 65 26.028 8.114 -35.822 445 1HG ARG 65 1HG ARG 65 23.526 9.611 -35.139 446 2HG ARG 65 2HG ARG 65 25.185 9.928 -34.627 447 1HD ARG 65 1HD ARG 65 25.117 11.493 -36.246 448 2HD ARG 65 2HD ARG 65 25.452 10.125 -37.306 449 HE ARG 65 HE ARG 65 22.657 10.472 -36.900 450 1HH1 ARG 65 1HH1 ARG 65 25.392 11.725 -38.655 451 2HH1 ARG 65 2HH1 ARG 65 24.439 12.322 -39.972 452 1HH2 ARG 65 1HH2 ARG 65 21.392 11.254 -38.630 453 2HH2 ARG 65 2HH2 ARG 65 22.165 12.054 -39.958 454 H THR 66 H THR 66 26.488 8.199 -33.958 455 HA THR 66 HA THR 66 25.403 8.635 -31.284 456 HB THR 66 HB THR 66 28.004 7.162 -31.741 457 HG1 THR 66 HG1 THR 66 25.768 6.080 -31.897 458 1HG2 THR 66 1HG2 THR 66 27.170 8.761 -29.574 459 2HG2 THR 66 2HG2 THR 66 27.029 7.085 -29.048 460 3HG2 THR 66 3HG2 THR 66 28.571 7.691 -29.652 461 H PHE 67 H PHE 67 26.365 10.319 -30.152 462 HA PHE 67 HA PHE 67 28.509 11.782 -31.532 463 1HB PHE 67 1HB PHE 67 26.216 13.225 -30.226 464 2HB PHE 67 2HB PHE 67 27.382 13.840 -31.391 465 HD1 PHE 67 HD1 PHE 67 24.883 11.062 -31.221 466 HD2 PHE 67 HD2 PHE 67 26.545 14.269 -33.473 467 HE1 PHE 67 HE1 PHE 67 23.305 10.593 -33.047 468 HE2 PHE 67 HE2 PHE 67 24.968 13.806 -35.303 469 HZ PHE 67 HZ PHE 67 23.349 11.963 -35.093 470 H TYR 68 H TYR 68 30.087 12.534 -30.237 471 HA TYR 68 HA TYR 68 30.022 11.829 -27.444 472 1HB TYR 68 1HB TYR 68 32.143 13.211 -29.101 473 2HB TYR 68 2HB TYR 68 32.352 12.693 -27.431 474 HD1 TYR 68 HD1 TYR 68 30.625 10.106 -27.958 475 HD2 TYR 68 HD2 TYR 68 34.027 11.829 -29.826 476 HE1 TYR 68 HE1 TYR 68 31.311 7.877 -28.734 477 HE2 TYR 68 HE2 TYR 68 34.737 9.608 -30.604 478 HH TYR 68 HH TYR 68 34.148 7.454 -30.813 479 H SER 69 H SER 69 29.000 14.479 -29.195 480 HA SER 69 HA SER 69 28.619 16.035 -26.804 481 1HB SER 69 1HB SER 69 30.967 16.530 -28.153 482 2HB SER 69 2HB SER 69 29.874 17.733 -28.837 483 HG SER 69 HG SER 69 29.366 18.304 -26.623 484 H CYS 70 H CYS 70 28.055 18.485 -28.024 485 HA CYS 70 HA CYS 70 25.424 18.161 -28.820 486 1HB CYS 70 1HB CYS 70 27.346 20.343 -28.706 487 2HB CYS 70 2HB CYS 70 26.228 20.521 -30.053 488 H THR 71 H THR 71 24.567 19.022 -30.993 489 HA THR 71 HA THR 71 26.055 18.679 -33.358 490 HB THR 71 HB THR 71 26.027 16.295 -32.676 491 HG1 THR 71 HG1 THR 71 24.297 16.474 -34.890 492 1HG2 THR 71 1HG2 THR 71 23.707 16.563 -31.574 493 2HG2 THR 71 2HG2 THR 71 23.070 16.290 -33.195 494 3HG2 THR 71 3HG2 THR 71 24.063 15.055 -32.420 495 H THR 72 H THR 72 24.891 19.299 -35.153 496 HA THR 72 HA THR 72 22.144 20.179 -34.602 497 HB THR 72 HB THR 72 22.742 21.462 -36.901 498 HG1 THR 72 HG1 THR 72 24.828 21.558 -37.209 499 1HG2 THR 72 1HG2 THR 72 22.953 22.143 -34.031 500 2HG2 THR 72 2HG2 THR 72 23.710 23.269 -35.158 501 3HG2 THR 72 3HG2 THR 72 21.991 22.895 -35.304 502 H GLU 73 H GLU 73 21.829 17.712 -35.050 503 HA GLU 73 HA GLU 73 21.359 17.336 -37.938 504 1HB GLU 73 1HB GLU 73 22.048 15.355 -35.776 505 2HB GLU 73 2HB GLU 73 21.379 14.855 -37.321 506 1HG GLU 73 1HG GLU 73 23.714 16.632 -37.478 507 2HG GLU 73 2HG GLU 73 24.014 15.038 -36.788 508 H GLY 74 H GLY 74 19.720 18.383 -35.533 509 1HA GLY 74 1HA GLY 74 17.192 17.629 -36.459 510 2HA GLY 74 2HA GLY 74 17.580 16.619 -35.076 511 H ARG 75 H ARG 75 17.494 20.009 -36.094 512 HA ARG 75 HA ARG 75 16.329 20.691 -33.498 513 1HB ARG 75 1HB ARG 75 17.783 22.652 -33.274 514 2HB ARG 75 2HB ARG 75 18.716 21.163 -33.287 515 1HG ARG 75 1HG ARG 75 18.342 22.550 -35.876 516 2HG ARG 75 2HG ARG 75 19.409 23.298 -34.692 517 1HD ARG 75 1HD ARG 75 20.881 21.521 -34.700 518 2HD ARG 75 2HD ARG 75 19.691 20.397 -35.338 519 HE ARG 75 HE ARG 75 21.150 22.433 -36.878 520 1HH1 ARG 75 1HH1 ARG 75 19.108 19.598 -36.834 521 2HH1 ARG 75 2HH1 ARG 75 19.289 19.296 -38.524 522 1HH2 ARG 75 1HH2 ARG 75 21.379 22.030 -39.094 523 2HH2 ARG 75 2HH2 ARG 75 20.574 20.671 -39.806 524 H GLN 76 H GLN 76 16.213 23.455 -33.861 525 HA GLN 76 HA GLN 76 14.256 23.599 -36.037 526 1HB GLN 76 1HB GLN 76 14.653 25.526 -33.747 527 2HB GLN 76 2HB GLN 76 13.304 25.489 -34.874 528 1HG GLN 76 1HG GLN 76 12.994 23.062 -33.954 529 2HG GLN 76 2HG GLN 76 13.918 23.685 -32.588 530 2HE2 GLN 76 1HE2 GLN 76 11.019 22.879 -33.079 531 1HE2 GLN 76 2HE2 GLN 76 10.112 24.191 -32.415 532 H ASP 77 H ASP 77 16.466 25.953 -34.508 533 HA ASP 77 HA ASP 77 16.720 27.372 -37.009 534 1HB ASP 77 1HB ASP 77 16.581 28.723 -35.036 535 2HB ASP 77 2HB ASP 77 17.890 27.833 -34.263 536 H GLY 78 H GLY 78 18.797 25.465 -34.879 537 1HA GLY 78 1HA GLY 78 20.324 23.972 -36.235 538 2HA GLY 78 2HA GLY 78 20.830 25.462 -37.012 539 H HIS 79 H HIS 79 20.134 25.274 -33.592 540 HA HIS 79 HA HIS 79 22.884 26.045 -33.023 541 1HB HIS 79 1HB HIS 79 20.770 25.697 -30.923 542 2HB HIS 79 2HB HIS 79 22.126 26.817 -30.956 543 HD1 HIS 79 HD1 HIS 79 18.862 27.299 -30.690 544 HD2 HIS 79 HD2 HIS 79 21.416 28.309 -33.806 545 HE1 HIS 79 HE1 HIS 79 17.723 29.180 -31.908 546 HE2 HIS 79 HE2 HIS 79 19.355 29.867 -33.698 547 H LEU 80 H LEU 80 24.384 24.629 -32.390 548 HA LEU 80 HA LEU 80 24.205 21.937 -32.309 549 1HB LEU 80 1HB LEU 80 25.989 23.908 -31.058 550 2HB LEU 80 2HB LEU 80 25.953 22.365 -30.228 551 HG LEU 80 HG LEU 80 26.487 21.257 -32.417 552 1HD1 LEU 80 1HD1 LEU 80 25.702 23.367 -33.694 553 2HD1 LEU 80 2HD1 LEU 80 27.338 23.951 -33.395 554 3HD1 LEU 80 3HD1 LEU 80 27.086 22.459 -34.301 555 1HD2 LEU 80 1HD2 LEU 80 28.157 21.862 -30.622 556 2HD2 LEU 80 2HD2 LEU 80 28.811 21.652 -32.245 557 3HD2 LEU 80 3HD2 LEU 80 28.563 23.273 -31.597 558 H TRP 81 H TRP 81 23.070 20.501 -31.170 559 HA TRP 81 HA TRP 81 22.218 21.257 -28.457 560 1HB TRP 81 2HB TRP 81 20.343 21.352 -30.045 561 2HB TRP 81 1HB TRP 81 20.108 20.089 -28.841 562 HD1 TRP 81 HD1 TRP 81 20.363 20.630 -32.559 563 HE1 TRP 81 HE1 TRP 81 20.074 18.385 -33.765 564 HE3 TRP 81 HE3 TRP 81 20.664 17.483 -28.534 565 HZ2 TRP 81 HZ2 TRP 81 19.984 15.639 -33.116 566 HZ3 TRP 81 HZ3 TRP 81 20.467 15.060 -28.917 567 HH2 TRP 81 HH2 TRP 81 20.134 14.159 -31.162 568 H CYS 82 H CYS 82 22.302 19.735 -26.868 569 HA CYS 82 HA CYS 82 23.389 17.093 -27.599 570 1HB CYS 82 1HB CYS 82 24.830 17.113 -25.718 571 2HB CYS 82 2HB CYS 82 25.021 18.694 -26.465 572 H SER 83 H SER 83 23.083 15.500 -25.690 573 HA SER 83 HA SER 83 20.279 15.717 -24.857 574 1HB SER 83 1HB SER 83 20.390 13.656 -25.842 575 2HB SER 83 2HB SER 83 22.103 13.454 -25.473 576 HG SER 83 HG SER 83 20.793 12.042 -24.244 577 H THR 84 H THR 84 19.639 15.612 -22.736 578 HA THR 84 HA THR 84 21.738 16.077 -20.767 579 HB THR 84 HB THR 84 19.962 16.772 -19.258 580 HG1 THR 84 HG1 THR 84 18.440 15.175 -20.436 581 1HG2 THR 84 1HG2 THR 84 20.089 17.903 -22.010 582 2HG2 THR 84 2HG2 THR 84 18.852 18.513 -20.910 583 3HG2 THR 84 3HG2 THR 84 20.556 18.624 -20.469 584 H THR 85 H THR 85 19.441 13.644 -21.694 585 HA THR 85 HA THR 85 20.358 11.989 -19.438 586 HB THR 85 HB THR 85 17.873 12.807 -19.412 587 HG1 THR 85 HG1 THR 85 17.701 11.229 -18.008 588 1HG2 THR 85 1HG2 THR 85 17.740 10.497 -21.350 589 2HG2 THR 85 2HG2 THR 85 16.350 11.220 -20.538 590 3HG2 THR 85 3HG2 THR 85 17.296 12.170 -21.685 591 H SER 86 H SER 86 20.150 9.630 -19.860 592 HA SER 86 HA SER 86 21.537 8.883 -22.155 593 1HB SER 86 1HB SER 86 21.642 7.407 -20.309 594 2HB SER 86 2HB SER 86 19.886 7.299 -20.192 595 HG SER 86 HG SER 86 20.896 5.453 -21.182 596 H ASN 87 H ASN 87 18.072 8.619 -21.428 597 HA ASN 87 HA ASN 87 17.558 7.842 -24.201 598 1HB ASN 87 1HB ASN 87 16.402 7.111 -21.736 599 2HB ASN 87 2HB ASN 87 15.178 8.043 -22.591 600 2HD2 ASN 87 1HD2 ASN 87 15.296 7.422 -25.096 601 1HD2 ASN 87 2HD2 ASN 87 15.145 5.724 -25.379 602 H TYR 88 H TYR 88 17.862 9.812 -25.258 603 HA TYR 88 HA TYR 88 16.458 12.176 -24.404 604 1HB TYR 88 1HB TYR 88 18.503 12.639 -25.460 605 2HB TYR 88 2HB TYR 88 18.196 11.493 -26.760 606 HD1 TYR 88 HD1 TYR 88 16.873 14.679 -25.342 607 HD2 TYR 88 HD2 TYR 88 17.448 12.280 -28.808 608 HE1 TYR 88 HE1 TYR 88 16.017 16.509 -26.743 609 HE2 TYR 88 HE2 TYR 88 16.593 14.104 -30.219 610 HH TYR 88 HH TYR 88 15.498 16.087 -30.203 611 H GLU 89 H GLU 89 15.892 9.528 -26.564 612 HA GLU 89 HA GLU 89 13.780 10.853 -28.009 613 1HB GLU 89 1HB GLU 89 14.900 8.068 -28.006 614 2HB GLU 89 2HB GLU 89 13.391 8.427 -28.836 615 1HG GLU 89 1HG GLU 89 16.131 9.501 -29.412 616 2HG GLU 89 2HG GLU 89 15.079 8.554 -30.464 617 H GLN 90 H GLN 90 13.877 10.014 -24.948 618 HA GLN 90 HA GLN 90 11.100 9.033 -24.912 619 1HB GLN 90 1HB GLN 90 12.162 7.232 -23.966 620 2HB GLN 90 2HB GLN 90 13.482 8.205 -23.334 621 1HG GLN 90 2HG GLN 90 11.865 9.113 -21.641 622 2HG GLN 90 1HG GLN 90 12.277 7.406 -21.474 623 2HE2 GLN 90 1HE2 GLN 90 9.870 9.200 -20.820 624 1HE2 GLN 90 2HE2 GLN 90 8.523 8.277 -21.384 625 H ASP 91 H ASP 91 13.514 10.800 -23.000 626 HA ASP 91 HA ASP 91 11.524 12.105 -21.399 627 1HB ASP 91 1HB ASP 91 14.500 12.516 -21.708 628 2HB ASP 91 2HB ASP 91 13.510 13.482 -20.620 629 H GLN 92 H GLN 92 13.739 13.159 -23.966 630 HA GLN 92 HA GLN 92 13.430 14.733 -25.609 631 1HB GLN 92 1HB GLN 92 10.958 14.223 -25.352 632 2HB GLN 92 2HB GLN 92 10.884 15.574 -24.229 633 1HG GLN 92 2HG GLN 92 12.088 16.766 -26.316 634 2HG GLN 92 1HG GLN 92 10.343 16.733 -26.067 635 2HE2 GLN 92 1HE2 GLN 92 9.660 14.225 -26.775 636 1HE2 GLN 92 2HE2 GLN 92 10.015 13.947 -28.442 637 H LYS 93 H LYS 93 14.925 15.125 -23.245 638 HA LYS 93 HA LYS 93 14.644 18.038 -22.912 639 1HB LYS 93 1HB LYS 93 16.129 17.146 -20.733 640 2HB LYS 93 2HB LYS 93 14.457 17.681 -20.716 641 1HG LYS 93 2HG LYS 93 14.060 15.140 -21.427 642 2HG LYS 93 1HG LYS 93 14.168 15.664 -19.748 643 1HD LYS 93 1HD LYS 93 15.621 13.650 -20.727 644 2HD LYS 93 2HD LYS 93 16.709 14.989 -21.102 645 1HE LYS 93 1HE LYS 93 17.434 14.560 -18.992 646 2HE LYS 93 2HE LYS 93 16.104 15.645 -18.591 647 1HZ LYS 93 1HZ LYS 93 15.886 12.685 -18.662 648 2HZ LYS 93 2HZ LYS 93 16.130 13.593 -17.255 649 3HZ LYS 93 3HZ LYS 93 14.701 13.775 -18.142 650 H TYR 94 H TYR 94 16.066 18.686 -24.434 651 HA TYR 94 HA TYR 94 18.823 17.671 -24.265 652 1HB TYR 94 2HB TYR 94 17.614 17.380 -26.438 653 2HB TYR 94 1HB TYR 94 19.097 18.312 -26.568 654 HD1 TYR 94 HD1 TYR 94 18.805 20.916 -26.402 655 HD2 TYR 94 HD2 TYR 94 15.679 18.213 -27.414 656 HE1 TYR 94 HE1 TYR 94 17.567 22.755 -27.465 657 HE2 TYR 94 HE2 TYR 94 14.433 20.044 -28.481 658 HH TYR 94 HH TYR 94 15.835 23.083 -29.140 659 H SER 95 H SER 95 20.419 19.402 -25.153 660 HA SER 95 HA SER 95 19.790 22.043 -24.027 661 1HB SER 95 1HB SER 95 22.568 21.504 -23.638 662 2HB SER 95 2HB SER 95 21.334 21.812 -22.416 663 HG SER 95 HG SER 95 22.380 19.766 -22.170 664 H PHE 96 H PHE 96 21.831 23.544 -24.638 665 HA PHE 96 HA PHE 96 22.307 23.091 -27.513 666 1HB PHE 96 1HB PHE 96 21.652 25.573 -25.981 667 2HB PHE 96 2HB PHE 96 22.636 25.702 -27.432 668 HD1 PHE 96 HD1 PHE 96 21.355 23.547 -29.065 669 HD2 PHE 96 HD2 PHE 96 19.673 26.626 -26.654 670 HE1 PHE 96 HE1 PHE 96 19.324 23.521 -30.454 671 HE2 PHE 96 HE2 PHE 96 17.640 26.605 -28.040 672 HZ PHE 96 HZ PHE 96 17.465 25.052 -29.942 673 H CYS 97 H CYS 97 24.224 24.592 -28.244 674 HA CYS 97 HA CYS 97 26.374 24.853 -26.349 675 1HB CYS 97 1HB CYS 97 26.767 22.898 -28.617 676 2HB CYS 97 2HB CYS 97 27.897 23.275 -27.321 677 H THR 98 H THR 98 26.230 27.021 -27.107 678 HA THR 98 HA THR 98 26.244 28.024 -29.622 679 HB THR 98 HB THR 98 26.304 29.686 -28.017 680 HG1 THR 98 HG1 THR 98 27.972 30.933 -28.654 681 1HG2 THR 98 1HG2 THR 98 28.554 28.119 -26.793 682 2HG2 THR 98 2HG2 THR 98 28.267 29.800 -26.345 683 3HG2 THR 98 3HG2 THR 98 27.013 28.590 -26.076 684 H ASP 99 H ASP 99 28.931 26.491 -27.971 685 HA ASP 99 HA ASP 99 30.888 25.618 -28.734 686 1HB ASP 99 1HB ASP 99 29.383 24.834 -30.624 687 2HB ASP 99 2HB ASP 99 29.941 26.233 -31.534 688 H HIS 100 H HIS 100 30.076 28.266 -30.986 689 HA HIS 100 HA HIS 100 31.267 30.081 -31.678 690 1HB HIS 100 1HB HIS 100 31.226 30.087 -28.867 691 2HB HIS 100 2HB HIS 100 32.875 30.506 -29.317 692 HD1 HIS 100 HD1 HIS 100 33.227 32.739 -30.585 693 HD2 HIS 100 HD2 HIS 100 29.290 32.005 -29.477 694 HE1 HIS 100 HE1 HIS 100 32.022 34.925 -30.896 695 HE2 HIS 100 HE2 HIS 100 29.663 34.479 -30.134 696 H THR 101 H THR 101 33.583 31.036 -31.809 697 HA THR 101 HA THR 101 35.558 28.858 -31.943 698 HB THR 101 HB THR 101 35.136 28.986 -34.196 699 HG1 THR 101 HG1 THR 101 36.991 29.752 -34.914 700 1HG2 THR 101 1HG2 THR 101 34.267 31.760 -33.588 701 2HG2 THR 101 2HG2 THR 101 34.836 31.425 -35.223 702 3HG2 THR 101 3HG2 THR 101 33.481 30.514 -34.558 No H/Q in entry = 702 Start of MODEL 32 1 H1 TYR 1 H1 TYR 1 48.146 0.709 -40.499 2 H2 TYR 1 H2 TYR 1 47.218 -0.697 -40.337 3 H3 TYR 1 H3 TYR 1 48.633 -0.719 -41.266 4 HA TYR 1 HA TYR 1 47.700 0.318 -43.033 5 1HB TYR 1 1HB TYR 1 45.108 -0.676 -41.908 6 2HB TYR 1 2HB TYR 1 45.766 -0.868 -43.530 7 HD1 TYR 1 HD1 TYR 1 48.022 -2.297 -43.602 8 HD2 TYR 1 HD2 TYR 1 45.077 -2.531 -40.541 9 HE1 TYR 1 HE1 TYR 1 48.821 -4.547 -43.014 10 HE2 TYR 1 HE2 TYR 1 45.867 -4.782 -39.942 11 HH TYR 1 HH TYR 1 48.779 -6.123 -41.282 12 H GLY 2 H GLY 2 45.738 1.587 -43.907 13 1HA GLY 2 1HA GLY 2 45.722 4.142 -42.942 14 2HA GLY 2 2HA GLY 2 44.392 3.457 -43.863 15 H HIS 3 H HIS 3 43.803 1.454 -41.790 16 HA HIS 3 HA HIS 3 41.858 2.858 -40.357 17 1HB HIS 3 1HB HIS 3 43.042 0.123 -40.169 18 2HB HIS 3 2HB HIS 3 42.026 0.690 -38.848 19 HD1 HIS 3 HD1 HIS 3 41.489 1.260 -42.559 20 HD2 HIS 3 HD2 HIS 3 39.715 -0.667 -39.333 21 HE1 HIS 3 HE1 HIS 3 39.283 0.406 -43.416 22 HE2 HIS 3 HE2 HIS 3 38.259 -0.816 -41.466 23 H CYS 4 H CYS 4 41.707 2.851 -37.908 24 HA CYS 4 HA CYS 4 44.283 3.736 -36.786 25 1HB CYS 4 1HB CYS 4 42.502 4.946 -35.165 26 2HB CYS 4 2HB CYS 4 43.137 5.685 -36.627 27 H VAL 5 H VAL 5 45.069 2.542 -35.208 28 HA VAL 5 HA VAL 5 43.207 0.969 -33.546 29 HB VAL 5 HB VAL 5 45.081 -0.692 -33.299 30 1HG1 VAL 5 1HG1 VAL 5 43.405 -0.230 -35.654 31 2HG1 VAL 5 2HG1 VAL 5 44.775 -1.304 -35.938 32 3HG1 VAL 5 3HG1 VAL 5 43.608 -1.679 -34.670 33 1HG2 VAL 5 1HG2 VAL 5 46.251 0.996 -35.497 34 2HG2 VAL 5 2HG2 VAL 5 46.985 0.544 -33.958 35 3HG2 VAL 5 3HG2 VAL 5 46.740 -0.674 -35.210 36 H THR 6 H THR 6 43.199 2.651 -31.985 37 HA THR 6 HA THR 6 45.104 4.113 -30.843 38 HB THR 6 HB THR 6 43.117 4.385 -29.735 39 HG1 THR 6 HG1 THR 6 44.981 3.901 -28.228 40 1HG2 THR 6 1HG2 THR 6 42.741 1.635 -30.348 41 2HG2 THR 6 2HG2 THR 6 42.414 1.860 -28.631 42 3HG2 THR 6 3HG2 THR 6 41.541 2.816 -29.825 43 H ASP 7 H ASP 7 44.397 1.136 -29.055 44 HA ASP 7 HA ASP 7 47.286 0.832 -28.605 45 1HB ASP 7 1HB ASP 7 46.341 -0.650 -26.637 46 2HB ASP 7 2HB ASP 7 46.439 1.101 -26.479 47 H SER 8 H SER 8 44.400 -1.243 -28.599 48 HA SER 8 HA SER 8 45.007 -2.883 -30.708 49 1HB SER 8 1HB SER 8 47.061 -3.607 -29.830 50 2HB SER 8 2HB SER 8 46.432 -3.697 -28.185 51 HG SER 8 HG SER 8 46.312 -5.751 -28.714 52 H GLY 9 H GLY 9 42.771 -1.866 -29.263 53 1HA GLY 9 1HA GLY 9 41.426 -4.409 -28.600 54 2HA GLY 9 2HA GLY 9 41.158 -2.954 -27.654 55 H VAL 10 H VAL 10 41.259 -1.314 -30.181 56 HA VAL 10 HA VAL 10 38.751 -2.161 -31.440 57 HB VAL 10 HB VAL 10 39.050 0.734 -30.808 58 1HG1 VAL 10 1HG1 VAL 10 37.214 -0.528 -32.205 59 2HG1 VAL 10 2HG1 VAL 10 36.527 -0.834 -30.611 60 3HG1 VAL 10 3HG1 VAL 10 36.787 0.823 -31.155 61 1HG2 VAL 10 1HG2 VAL 10 39.492 -0.614 -28.696 62 2HG2 VAL 10 2HG2 VAL 10 38.178 0.561 -28.627 63 3HG2 VAL 10 3HG2 VAL 10 37.817 -1.154 -28.820 64 H VAL 11 H VAL 11 39.629 -2.562 -33.417 65 HA VAL 11 HA VAL 11 41.559 -0.879 -34.664 66 HB VAL 11 HB VAL 11 39.780 -3.010 -35.857 67 1HG1 VAL 11 1HG1 VAL 11 41.613 -1.117 -37.074 68 2HG1 VAL 11 2HG1 VAL 11 42.051 -2.790 -37.416 69 3HG1 VAL 11 3HG1 VAL 11 40.440 -2.200 -37.825 70 1HG2 VAL 11 1HG2 VAL 11 41.510 -3.592 -34.035 71 2HG2 VAL 11 2HG2 VAL 11 41.511 -4.533 -35.527 72 3HG2 VAL 11 3HG2 VAL 11 42.711 -3.263 -35.284 73 H TYR 12 H TYR 12 40.485 1.185 -34.443 74 HA TYR 12 HA TYR 12 38.011 1.793 -35.643 75 1HB TYR 12 1HB TYR 12 40.382 3.532 -34.954 76 2HB TYR 12 2HB TYR 12 38.851 4.171 -35.542 77 HD1 TYR 12 HD1 TYR 12 36.735 3.406 -34.178 78 HD2 TYR 12 HD2 TYR 12 40.718 3.357 -32.688 79 HE1 TYR 12 HE1 TYR 12 35.865 3.420 -31.876 80 HE2 TYR 12 HE2 TYR 12 39.859 3.370 -30.379 81 HH TYR 12 HH TYR 12 37.999 3.754 -29.109 82 H SER 13 H SER 13 38.262 3.871 -37.296 83 HA SER 13 HA SER 13 39.982 3.084 -39.522 84 1HB SER 13 1HB SER 13 36.985 3.126 -39.544 85 2HB SER 13 2HB SER 13 37.865 3.556 -41.010 86 HG SER 13 HG SER 13 37.256 1.212 -40.489 87 H VAL 14 H VAL 14 40.742 4.764 -40.686 88 HA VAL 14 HA VAL 14 41.068 7.244 -39.799 89 HB VAL 14 HB VAL 14 42.128 6.610 -41.841 90 1HG1 VAL 14 1HG1 VAL 14 39.414 5.983 -42.659 91 2HG1 VAL 14 2HG1 VAL 14 40.297 6.888 -43.889 92 3HG1 VAL 14 3HG1 VAL 14 40.950 5.371 -43.272 93 1HG2 VAL 14 1HG2 VAL 14 40.721 9.088 -41.554 94 2HG2 VAL 14 2HG2 VAL 14 42.297 8.780 -42.284 95 3HG2 VAL 14 3HG2 VAL 14 40.835 8.664 -43.263 96 H GLY 15 H GLY 15 39.291 8.009 -38.625 97 1HA GLY 15 1HA GLY 15 37.750 9.863 -38.766 98 2HA GLY 15 2HA GLY 15 37.208 9.231 -40.311 99 H MET 16 H MET 16 37.681 7.448 -37.289 100 HA MET 16 HA MET 16 34.843 6.695 -37.414 101 1HB MET 16 1HB MET 16 37.310 5.300 -36.577 102 2HB MET 16 2HB MET 16 35.884 4.979 -35.602 103 1HG MET 16 1HG MET 16 35.649 4.812 -38.559 104 2HG MET 16 2HG MET 16 36.473 3.514 -37.699 105 1HE MET 16 1HE MET 16 35.657 2.370 -35.793 106 2HE MET 16 2HE MET 16 33.975 2.033 -35.382 107 3HE MET 16 3HE MET 16 34.699 1.295 -36.811 108 H GLN 17 H GLN 17 37.269 8.179 -35.400 109 HA GLN 17 HA GLN 17 37.173 9.255 -33.395 110 1HB GLN 17 1HB GLN 17 34.381 9.570 -34.446 111 2HB GLN 17 2HB GLN 17 34.780 10.152 -32.836 112 1HG GLN 17 1HG GLN 17 36.769 11.308 -34.121 113 2HG GLN 17 2HG GLN 17 35.666 11.145 -35.488 114 2HE2 GLN 17 1HE2 GLN 17 36.497 12.959 -32.777 115 1HE2 GLN 17 2HE2 GLN 17 35.134 14.021 -32.756 116 H TRP 18 H TRP 18 36.632 8.992 -31.171 117 HA TRP 18 HA TRP 18 34.721 7.147 -30.229 118 1HB TRP 18 1HB TRP 18 36.064 5.265 -29.621 119 2HB TRP 18 2HB TRP 18 36.357 5.576 -31.330 120 HD1 TRP 18 HD1 TRP 18 38.053 5.917 -27.901 121 HE1 TRP 18 HE1 TRP 18 40.583 6.110 -28.266 122 HE3 TRP 18 HE3 TRP 18 38.124 6.230 -33.008 123 HZ2 TRP 18 HZ2 TRP 18 42.381 6.379 -30.421 124 HZ3 TRP 18 HZ3 TRP 18 40.294 6.453 -34.141 125 HH2 TRP 18 HH2 TRP 18 42.379 6.522 -32.873 126 H LEU 19 H LEU 19 35.539 6.360 -27.869 127 HA LEU 19 HA LEU 19 36.627 8.767 -26.561 128 1HB LEU 19 1HB LEU 19 34.573 6.830 -25.486 129 2HB LEU 19 2HB LEU 19 35.238 8.192 -24.607 130 HG LEU 19 HG LEU 19 32.950 8.569 -25.528 131 1HD1 LEU 19 1HD1 LEU 19 34.493 10.424 -24.994 132 2HD1 LEU 19 2HD1 LEU 19 35.059 10.400 -26.665 133 3HD1 LEU 19 3HD1 LEU 19 33.380 10.810 -26.308 134 1HD2 LEU 19 1HD2 LEU 19 33.656 7.301 -27.704 135 2HD2 LEU 19 2HD2 LEU 19 32.489 8.621 -27.777 136 3HD2 LEU 19 3HD2 LEU 19 34.168 8.907 -28.219 137 H LYS 20 H LYS 20 38.679 8.278 -26.060 138 HA LYS 20 HA LYS 20 39.382 5.591 -25.215 139 1HB LYS 20 2HB LYS 20 40.769 7.141 -26.743 140 2HB LYS 20 1HB LYS 20 41.606 6.204 -25.515 141 1HG LYS 20 1HG LYS 20 40.779 9.076 -25.182 142 2HG LYS 20 2HG LYS 20 41.787 8.120 -24.091 143 1HD LYS 20 1HD LYS 20 42.734 8.195 -26.862 144 2HD LYS 20 2HD LYS 20 42.727 9.764 -26.051 145 1HE LYS 20 1HE LYS 20 44.560 9.220 -24.928 146 2HE LYS 20 2HE LYS 20 43.748 7.809 -24.254 147 1HZ LYS 20 1HZ LYS 20 44.332 6.948 -26.712 148 2HZ LYS 20 2HZ LYS 20 45.640 7.985 -26.441 149 3HZ LYS 20 3HZ LYS 20 45.335 6.710 -25.372 150 H THR 21 H THR 21 40.919 5.410 -23.310 151 HA THR 21 HA THR 21 40.209 7.234 -21.128 152 HB THR 21 HB THR 21 40.332 4.669 -19.966 153 HG1 THR 21 HG1 THR 21 38.889 3.473 -21.120 154 1HG2 THR 21 1HG2 THR 21 38.699 6.970 -19.947 155 2HG2 THR 21 2HG2 THR 21 37.633 5.592 -20.220 156 3HG2 THR 21 3HG2 THR 21 38.687 5.625 -18.807 157 H GLN 22 H GLN 22 41.907 7.777 -19.911 158 HA GLN 22 HA GLN 22 44.489 6.668 -20.532 159 1HB GLN 22 2HB GLN 22 45.391 8.478 -19.406 160 2HB GLN 22 1HB GLN 22 44.054 8.570 -18.267 161 1HG GLN 22 1HG GLN 22 43.437 9.125 -21.106 162 2HG GLN 22 2HG GLN 22 42.791 9.855 -19.637 163 2HE2 GLN 22 1HE2 GLN 22 43.069 11.876 -20.750 164 1HE2 GLN 22 2HE2 GLN 22 44.618 12.640 -20.772 165 H GLY 23 H GLY 23 42.043 6.025 -18.256 166 1HA GLY 23 1HA GLY 23 42.455 3.832 -17.107 167 2HA GLY 23 2HA GLY 23 43.964 4.549 -16.565 168 H ASN 24 H ASN 24 42.660 7.180 -16.139 169 HA ASN 24 HA ASN 24 41.146 6.504 -13.702 170 1HB ASN 24 1HB ASN 24 43.237 8.626 -14.158 171 2HB ASN 24 2HB ASN 24 42.106 8.703 -12.810 172 2HD2 ASN 24 1HD2 ASN 24 44.213 6.303 -14.362 173 1HD2 ASN 24 2HD2 ASN 24 44.861 5.672 -12.890 174 H LYS 25 H LYS 25 41.382 8.486 -16.539 175 HA LYS 25 HA LYS 25 38.745 9.623 -15.905 176 1HB LYS 25 2HB LYS 25 39.345 11.772 -16.600 177 2HB LYS 25 1HB LYS 25 40.775 11.202 -17.451 178 1HG LYS 25 1HG LYS 25 40.937 12.466 -15.144 179 2HG LYS 25 2HG LYS 25 40.670 10.843 -14.506 180 1HD LYS 25 1HD LYS 25 42.889 10.602 -14.713 181 2HD LYS 25 2HD LYS 25 42.560 10.403 -16.434 182 1HE LYS 25 1HE LYS 25 42.649 13.186 -15.849 183 2HE LYS 25 2HE LYS 25 44.074 12.424 -15.145 184 1HZ LYS 25 1HZ LYS 25 44.157 11.284 -17.489 185 2HZ LYS 25 2HZ LYS 25 43.288 12.658 -17.956 186 3HZ LYS 25 3HZ LYS 25 44.814 12.824 -17.246 187 H GLN 26 H GLN 26 38.089 10.888 -18.139 188 HA GLN 26 HA GLN 26 38.257 8.812 -20.222 189 1HB GLN 26 1HB GLN 26 36.018 10.427 -19.170 190 2HB GLN 26 2HB GLN 26 36.067 10.260 -20.920 191 1HG GLN 26 1HG GLN 26 36.149 7.811 -20.652 192 2HG GLN 26 2HG GLN 26 35.997 8.024 -18.908 193 2HE2 GLN 26 1HE2 GLN 26 34.178 6.502 -20.180 194 1HE2 GLN 26 2HE2 GLN 26 32.652 7.309 -20.254 195 H MET 27 H MET 27 38.290 9.518 -22.433 196 HA MET 27 HA MET 27 38.727 12.303 -23.022 197 1HB MET 27 1HB MET 27 40.951 10.831 -22.261 198 2HB MET 27 2HB MET 27 41.019 10.814 -24.018 199 1HG MET 27 1HG MET 27 40.402 13.452 -23.246 200 2HG MET 27 2HG MET 27 41.715 12.900 -22.209 201 1HE MET 27 1HE MET 27 43.573 13.829 -22.597 202 2HE MET 27 2HE MET 27 44.474 12.573 -23.445 203 3HE MET 27 3HE MET 27 44.407 14.208 -24.104 204 H LEU 28 H LEU 28 38.337 12.779 -25.129 205 HA LEU 28 HA LEU 28 37.331 10.609 -26.794 206 1HB LEU 28 1HB LEU 28 35.926 12.514 -26.720 207 2HB LEU 28 2HB LEU 28 37.265 13.610 -27.010 208 HG LEU 28 HG LEU 28 37.223 11.914 -29.231 209 1HD1 LEU 28 1HD1 LEU 28 34.562 12.238 -28.087 210 2HD1 LEU 28 2HD1 LEU 28 34.681 12.760 -29.768 211 3HD1 LEU 28 3HD1 LEU 28 35.144 11.118 -29.320 212 1HD2 LEU 28 1HD2 LEU 28 37.752 14.363 -29.059 213 2HD2 LEU 28 2HD2 LEU 28 36.762 13.908 -30.446 214 3HD2 LEU 28 3HD2 LEU 28 36.016 14.667 -29.039 215 H CYS 29 H CYS 29 38.652 9.590 -28.152 216 HA CYS 29 HA CYS 29 40.926 11.089 -29.264 217 1HB CYS 29 1HB CYS 29 41.330 9.047 -27.740 218 2HB CYS 29 2HB CYS 29 40.817 8.099 -29.126 219 H THR 30 H THR 30 41.201 11.230 -31.386 220 HA THR 30 HA THR 30 39.359 9.700 -33.113 221 HB THR 30 HB THR 30 40.165 12.593 -33.467 222 HG1 THR 30 HG1 THR 30 38.048 11.360 -32.249 223 1HG2 THR 30 1HG2 THR 30 38.551 10.720 -35.190 224 2HG2 THR 30 2HG2 THR 30 38.452 12.475 -35.334 225 3HG2 THR 30 3HG2 THR 30 39.981 11.650 -35.637 226 H CYS 31 H CYS 31 40.068 9.434 -35.326 227 HA CYS 31 HA CYS 31 42.999 9.519 -35.596 228 1HB CYS 31 1HB CYS 31 42.707 7.505 -37.107 229 2HB CYS 31 2HB CYS 31 42.436 7.223 -35.395 230 H LEU 32 H LEU 32 43.362 11.207 -36.867 231 HA LEU 32 HA LEU 32 41.575 11.942 -38.995 232 1HB LEU 32 1HB LEU 32 43.640 13.540 -39.461 233 2HB LEU 32 2HB LEU 32 42.490 13.849 -38.175 234 HG LEU 32 HG LEU 32 44.809 12.194 -37.409 235 1HD1 LEU 32 1HD1 LEU 32 45.116 15.095 -38.153 236 2HD1 LEU 32 2HD1 LEU 32 46.272 14.172 -37.191 237 3HD1 LEU 32 3HD1 LEU 32 45.956 13.716 -38.865 238 1HD2 LEU 32 1HD2 LEU 32 43.040 12.998 -35.857 239 2HD2 LEU 32 2HD2 LEU 32 44.668 13.499 -35.398 240 3HD2 LEU 32 3HD2 LEU 32 43.576 14.649 -36.168 241 H GLY 33 H GLY 33 44.981 12.161 -39.672 242 1HA GLY 33 1HA GLY 33 44.797 9.923 -41.565 243 2HA GLY 33 2HA GLY 33 45.216 11.516 -42.173 244 H ASN 34 H ASN 34 46.875 12.388 -40.108 245 HA ASN 34 HA ASN 34 49.295 11.030 -40.808 246 1HB ASN 34 1HB ASN 34 50.352 12.674 -39.235 247 2HB ASN 34 2HB ASN 34 49.386 13.417 -40.508 248 2HD2 ASN 34 1HD2 ASN 34 49.122 12.233 -37.185 249 1HD2 ASN 34 2HD2 ASN 34 48.068 13.487 -36.640 250 H GLY 35 H GLY 35 47.082 10.977 -38.125 251 1HA GLY 35 1HA GLY 35 48.109 8.550 -37.122 252 2HA GLY 35 2HA GLY 35 48.709 9.876 -36.138 253 H VAL 36 H VAL 36 47.598 9.763 -34.293 254 HA VAL 36 HA VAL 36 44.684 9.979 -34.457 255 HB VAL 36 HB VAL 36 46.201 7.794 -33.141 256 1HG1 VAL 36 1HG1 VAL 36 43.826 9.113 -31.845 257 2HG1 VAL 36 2HG1 VAL 36 44.316 7.453 -31.505 258 3HG1 VAL 36 3HG1 VAL 36 45.408 8.788 -31.135 259 1HG2 VAL 36 1HG2 VAL 36 44.560 7.755 -35.154 260 2HG2 VAL 36 2HG2 VAL 36 44.522 6.459 -33.958 261 3HG2 VAL 36 3HG2 VAL 36 43.325 7.752 -33.896 262 H SER 37 H SER 37 43.907 11.553 -33.214 263 HA SER 37 HA SER 37 45.584 12.549 -31.007 264 1HB SER 37 1HB SER 37 45.698 14.175 -32.776 265 2HB SER 37 2HB SER 37 43.949 14.136 -32.995 266 HG SER 37 HG SER 37 43.680 15.321 -31.227 267 H CYS 38 H CYS 38 44.577 13.070 -29.110 268 HA CYS 38 HA CYS 38 41.654 12.773 -28.974 269 1HB CYS 38 1HB CYS 38 42.944 11.755 -26.599 270 2HB CYS 38 2HB CYS 38 41.739 10.991 -27.612 271 H GLN 39 H GLN 39 40.626 14.008 -27.433 272 HA GLN 39 HA GLN 39 42.283 15.735 -25.743 273 1HB GLN 39 1HB GLN 39 40.408 16.584 -27.895 274 2HB GLN 39 2HB GLN 39 40.434 17.534 -26.416 275 1HG GLN 39 1HG GLN 39 42.791 17.965 -26.683 276 2HG GLN 39 2HG GLN 39 42.851 16.916 -28.098 277 2HE2 GLN 39 1HE2 GLN 39 40.956 19.676 -26.911 278 1HE2 GLN 39 2HE2 GLN 39 40.961 20.540 -28.406 279 H GLU 40 H GLU 40 41.215 16.576 -23.904 280 HA GLU 40 HA GLU 40 39.725 14.966 -22.384 281 1HB GLU 40 1HB GLU 40 40.304 17.764 -22.384 282 2HB GLU 40 2HB GLU 40 38.625 17.545 -21.911 283 1HG GLU 40 1HG GLU 40 39.889 15.629 -20.433 284 2HG GLU 40 2HG GLU 40 41.083 16.926 -20.467 285 H THR 41 H THR 41 37.891 13.911 -22.694 286 HA THR 41 HA THR 41 36.022 14.499 -24.713 287 HB THR 41 HB THR 41 36.455 12.272 -23.433 288 HG1 THR 41 HG1 THR 41 33.898 13.211 -24.251 289 1HG2 THR 41 1HG2 THR 41 34.299 13.502 -21.714 290 2HG2 THR 41 2HG2 THR 41 34.797 11.811 -21.673 291 3HG2 THR 41 3HG2 THR 41 35.930 13.076 -21.196 292 H ALA 42 H ALA 42 36.123 15.191 -21.281 293 HA ALA 42 HA ALA 42 35.175 17.009 -20.185 294 1HB ALA 42 1HB ALA 42 34.797 18.014 -22.488 295 2HB ALA 42 2HB ALA 42 33.185 17.300 -22.419 296 3HB ALA 42 3HB ALA 42 33.673 18.496 -21.217 297 H VAL 43 H VAL 43 34.319 15.995 -18.480 298 HA VAL 43 HA VAL 43 31.780 14.549 -18.840 299 HB VAL 43 HB VAL 43 32.613 13.906 -16.307 300 1HG1 VAL 43 1HG1 VAL 43 31.785 12.511 -18.314 301 2HG1 VAL 43 2HG1 VAL 43 33.499 12.290 -18.667 302 3HG1 VAL 43 3HG1 VAL 43 32.838 11.745 -17.125 303 1HG2 VAL 43 1HG2 VAL 43 35.030 14.287 -18.053 304 2HG2 VAL 43 2HG2 VAL 43 34.758 14.865 -16.409 305 3HG2 VAL 43 3HG2 VAL 43 35.013 13.146 -16.708 306 H THR 44 H THR 44 33.341 17.184 -17.226 307 HA THR 44 HA THR 44 32.641 18.641 -15.584 308 HB THR 44 HB THR 44 31.555 19.420 -17.703 309 HG1 THR 44 HG1 THR 44 31.253 20.899 -16.170 310 1HG2 THR 44 1HG2 THR 44 29.375 17.669 -16.655 311 2HG2 THR 44 2HG2 THR 44 28.952 19.132 -17.543 312 3HG2 THR 44 3HG2 THR 44 29.941 17.890 -18.310 313 H GLN 45 H GLN 45 30.037 19.204 -14.667 314 HA GLN 45 HA GLN 45 29.423 16.757 -13.143 315 1HB GLN 45 2HB GLN 45 29.096 17.998 -11.191 316 2HB GLN 45 1HB GLN 45 28.907 19.511 -12.068 317 1HG GLN 45 1HG GLN 45 31.528 18.143 -12.246 318 2HG GLN 45 2HG GLN 45 31.144 19.864 -12.229 319 2HE2 GLN 45 1HE2 GLN 45 33.202 18.795 -10.729 320 1HE2 GLN 45 2HE2 GLN 45 32.810 18.924 -9.052 321 H THR 46 H THR 46 27.284 16.249 -12.768 322 HA THR 46 HA THR 46 25.347 17.724 -14.416 323 HB THR 46 HB THR 46 23.946 15.615 -14.147 324 HG1 THR 46 HG1 THR 46 24.864 14.446 -12.567 325 1HG2 THR 46 1HG2 THR 46 25.913 16.286 -15.970 326 2HG2 THR 46 2HG2 THR 46 26.302 14.622 -15.534 327 3HG2 THR 46 3HG2 THR 46 24.705 15.017 -16.166 328 H TYR 47 H TYR 47 23.470 18.505 -13.564 329 HA TYR 47 HA TYR 47 22.853 17.951 -10.760 330 1HB TYR 47 1HB TYR 47 22.498 20.415 -10.373 331 2HB TYR 47 2HB TYR 47 24.180 19.936 -10.573 332 HD1 TYR 47 HD1 TYR 47 21.297 21.170 -12.601 333 HD2 TYR 47 HD2 TYR 47 25.508 21.181 -12.002 334 HE1 TYR 47 HE1 TYR 47 21.541 22.827 -14.400 335 HE2 TYR 47 HE2 TYR 47 25.765 22.840 -13.799 336 HH TYR 47 HH TYR 47 23.022 24.413 -15.253 337 H GLY 48 H GLY 48 20.701 17.992 -10.277 338 1HA GLY 48 1HA GLY 48 18.463 17.732 -10.769 339 2HA GLY 48 2HA GLY 48 18.641 19.351 -11.429 340 H GLY 49 H GLY 49 17.960 19.560 -13.446 341 1HA GLY 49 1HA GLY 49 17.845 19.105 -15.730 342 2HA GLY 49 2HA GLY 49 18.626 17.559 -15.437 343 H ASN 50 H ASN 50 17.361 15.958 -16.078 344 HA ASN 50 HA ASN 50 14.455 16.235 -15.794 345 1HB ASN 50 1HB ASN 50 14.897 15.685 -18.016 346 2HB ASN 50 2HB ASN 50 16.222 14.608 -17.590 347 2HD2 ASN 50 1HD2 ASN 50 13.113 14.738 -18.651 348 1HD2 ASN 50 2HD2 ASN 50 12.601 13.140 -18.238 349 H SER 51 H SER 51 17.167 14.606 -14.510 350 HA SER 51 HA SER 51 15.410 12.703 -13.109 351 1HB SER 51 1HB SER 51 17.025 11.542 -14.516 352 2HB SER 51 2HB SER 51 18.348 12.440 -13.772 353 HG SER 51 HG SER 51 18.186 11.252 -11.997 354 H ASN 52 H ASN 52 18.646 14.038 -12.575 355 HA ASN 52 HA ASN 52 18.097 15.666 -10.406 356 1HB ASN 52 1HB ASN 52 17.367 13.431 -9.408 357 2HB ASN 52 2HB ASN 52 19.068 12.979 -9.432 358 2HD2 ASN 52 1HD2 ASN 52 18.373 12.802 -7.072 359 1HD2 ASN 52 2HD2 ASN 52 18.666 14.196 -6.094 360 H GLY 53 H GLY 53 20.277 13.433 -11.965 361 1HA GLY 53 1HA GLY 53 22.329 14.986 -12.607 362 2HA GLY 53 2HA GLY 53 22.629 14.786 -10.888 363 H GLU 54 H GLU 54 21.556 12.569 -13.463 364 HA GLU 54 HA GLU 54 23.259 10.486 -12.437 365 1HB GLU 54 1HB GLU 54 21.167 10.708 -14.523 366 2HB GLU 54 2HB GLU 54 22.367 9.438 -14.729 367 1HG GLU 54 1HG GLU 54 20.903 9.791 -12.144 368 2HG GLU 54 2HG GLU 54 20.209 8.884 -13.481 369 HA PRO 55 HA PRO 55 26.740 10.948 -15.091 370 1HB PRO 55 1HB PRO 55 27.332 8.417 -15.836 371 2HB PRO 55 2HB PRO 55 27.561 8.998 -14.182 372 1HG PRO 55 1HG PRO 55 25.327 7.367 -15.326 373 2HG PRO 55 2HG PRO 55 26.171 7.181 -13.777 374 1HD PRO 55 1HD PRO 55 23.736 8.379 -14.014 375 2HD PRO 55 2HD PRO 55 24.911 8.809 -12.754 376 H CYS 56 H CYS 56 27.006 11.634 -17.120 377 HA CYS 56 HA CYS 56 25.045 11.360 -19.098 378 1HB CYS 56 1HB CYS 56 27.949 12.013 -19.609 379 2HB CYS 56 2HB CYS 56 26.555 12.506 -20.563 380 H VAL 57 H VAL 57 24.906 10.131 -20.959 381 HA VAL 57 HA VAL 57 26.673 7.772 -21.049 382 HB VAL 57 HB VAL 57 24.268 7.313 -20.486 383 1HG1 VAL 57 1HG1 VAL 57 23.829 9.026 -22.686 384 2HG1 VAL 57 2HG1 VAL 57 23.236 7.429 -23.143 385 3HG1 VAL 57 3HG1 VAL 57 22.630 8.211 -21.683 386 1HG2 VAL 57 1HG2 VAL 57 26.012 5.889 -22.003 387 2HG2 VAL 57 2HG2 VAL 57 24.443 5.293 -21.460 388 3HG2 VAL 57 3HG2 VAL 57 24.616 5.975 -23.078 389 H LEU 58 H LEU 58 27.863 9.628 -22.317 390 HA LEU 58 HA LEU 58 26.976 9.684 -25.110 391 1HB LEU 58 1HB LEU 58 28.847 11.398 -25.321 392 2HB LEU 58 2HB LEU 58 27.440 11.860 -24.386 393 HG LEU 58 HG LEU 58 29.759 12.475 -23.481 394 1HD1 LEU 58 1HD1 LEU 58 27.346 11.630 -22.180 395 2HD1 LEU 58 2HD1 LEU 58 28.744 11.274 -21.166 396 3HD1 LEU 58 3HD1 LEU 58 28.466 12.919 -21.738 397 1HD2 LEU 58 1HD2 LEU 58 30.727 10.222 -23.876 398 2HD2 LEU 58 2HD2 LEU 58 30.931 10.811 -22.227 399 3HD2 LEU 58 3HD2 LEU 58 29.700 9.601 -22.586 400 HA PRO 59 HA PRO 59 28.244 10.599 -26.861 401 1HB PRO 59 1HB PRO 59 28.648 9.627 -29.325 402 2HB PRO 59 2HB PRO 59 29.939 10.411 -28.409 403 1HG PRO 59 1HG PRO 59 29.423 7.501 -28.840 404 2HG PRO 59 2HG PRO 59 30.963 8.378 -28.843 405 1HD PRO 59 1HD PRO 59 30.013 6.926 -26.713 406 2HD PRO 59 2HD PRO 59 31.165 8.260 -26.568 407 H PHE 60 H PHE 60 26.133 10.744 -27.237 408 HA PHE 60 HA PHE 60 24.656 8.281 -27.899 409 1HB PHE 60 1HB PHE 60 22.664 9.596 -26.937 410 2HB PHE 60 2HB PHE 60 23.852 8.969 -25.798 411 HD1 PHE 60 HD1 PHE 60 22.641 12.000 -27.502 412 HD2 PHE 60 HD2 PHE 60 25.152 10.420 -24.451 413 HE1 PHE 60 HE1 PHE 60 22.947 14.264 -26.587 414 HE2 PHE 60 HE2 PHE 60 25.462 12.680 -23.530 415 HZ PHE 60 HZ PHE 60 24.359 14.606 -24.599 416 H THR 61 H THR 61 22.366 9.052 -28.872 417 HA THR 61 HA THR 61 23.024 10.885 -31.085 418 HB THR 61 HB THR 61 20.885 8.843 -31.444 419 HG1 THR 61 HG1 THR 61 22.237 7.242 -31.192 420 1HG2 THR 61 1HG2 THR 61 21.386 10.515 -33.177 421 2HG2 THR 61 2HG2 THR 61 23.046 9.922 -33.259 422 3HG2 THR 61 3HG2 THR 61 21.710 8.876 -33.739 423 H TYR 62 H TYR 62 21.923 12.711 -31.009 424 HA TYR 62 HA TYR 62 19.117 12.649 -30.169 425 1HB TYR 62 1HB TYR 62 20.266 13.391 -28.198 426 2HB TYR 62 2HB TYR 62 21.239 14.528 -29.125 427 HD1 TYR 62 HD1 TYR 62 17.626 13.785 -28.504 428 HD2 TYR 62 HD2 TYR 62 20.635 16.748 -29.016 429 HE1 TYR 62 HE1 TYR 62 15.956 15.542 -28.089 430 HE2 TYR 62 HE2 TYR 62 18.974 18.514 -28.602 431 HH TYR 62 HH TYR 62 15.711 18.031 -28.714 432 H ASN 63 H ASN 63 17.784 13.957 -31.311 433 HA ASN 63 HA ASN 63 17.045 15.367 -32.932 434 1HB ASN 63 1HB ASN 63 18.805 16.864 -31.637 435 2HB ASN 63 2HB ASN 63 19.694 16.727 -33.151 436 2HD2 ASN 63 1HD2 ASN 63 17.509 18.529 -31.492 437 1HD2 ASN 63 2HD2 ASN 63 16.760 19.362 -32.807 438 H GLY 64 H GLY 64 19.110 12.997 -33.395 439 1HA GLY 64 1HA GLY 64 19.142 11.855 -35.513 440 2HA GLY 64 2HA GLY 64 19.163 13.421 -36.309 441 H ARG 65 H ARG 65 21.232 14.121 -34.070 442 HA ARG 65 HA ARG 65 23.526 13.089 -35.591 443 1HB ARG 65 2HB ARG 65 23.215 15.565 -35.489 444 2HB ARG 65 1HB ARG 65 24.762 15.011 -34.864 445 1HG ARG 65 1HG ARG 65 22.449 15.514 -33.033 446 2HG ARG 65 2HG ARG 65 24.171 15.461 -32.662 447 1HD ARG 65 1HD ARG 65 23.215 17.756 -32.674 448 2HD ARG 65 2HD ARG 65 24.549 17.531 -33.806 449 HE ARG 65 HE ARG 65 22.026 17.071 -35.033 450 1HH1 ARG 65 1HH1 ARG 65 24.213 19.579 -34.004 451 2HH1 ARG 65 2HH1 ARG 65 23.638 20.734 -35.159 452 1HH2 ARG 65 1HH2 ARG 65 21.262 18.587 -36.559 453 2HH2 ARG 65 2HH2 ARG 65 21.961 20.170 -36.610 454 H THR 66 H THR 66 25.460 13.812 -33.617 455 HA THR 66 HA THR 66 24.814 12.090 -31.341 456 HB THR 66 HB THR 66 27.389 11.731 -32.873 457 HG1 THR 66 HG1 THR 66 25.237 9.889 -32.914 458 1HG2 THR 66 1HG2 THR 66 27.059 11.118 -30.362 459 2HG2 THR 66 2HG2 THR 66 26.137 9.758 -31.003 460 3HG2 THR 66 3HG2 THR 66 27.833 9.961 -31.444 461 H PHE 67 H PHE 67 26.065 12.461 -29.488 462 HA PHE 67 HA PHE 67 27.939 14.714 -29.596 463 1HB PHE 67 1HB PHE 67 25.897 14.520 -27.395 464 2HB PHE 67 2HB PHE 67 26.892 15.898 -27.853 465 HD1 PHE 67 HD1 PHE 67 24.280 13.676 -29.335 466 HD2 PHE 67 HD2 PHE 67 25.886 17.605 -29.007 467 HE1 PHE 67 HE1 PHE 67 22.439 14.541 -30.719 468 HE2 PHE 67 HE2 PHE 67 24.048 18.475 -30.392 469 HZ PHE 67 HZ PHE 67 22.323 16.942 -31.250 470 H TYR 68 H TYR 68 29.798 14.067 -28.766 471 HA TYR 68 HA TYR 68 29.979 11.732 -27.103 472 1HB TYR 68 1HB TYR 68 31.977 13.631 -28.307 473 2HB TYR 68 2HB TYR 68 32.471 12.398 -27.151 474 HD1 TYR 68 HD1 TYR 68 30.178 12.454 -30.118 475 HD2 TYR 68 HD2 TYR 68 33.469 10.614 -28.166 476 HE1 TYR 68 HE1 TYR 68 30.318 10.795 -31.929 477 HE2 TYR 68 HE2 TYR 68 33.627 8.951 -29.961 478 HH TYR 68 HH TYR 68 32.802 8.251 -31.903 479 H SER 69 H SER 69 28.942 14.608 -26.245 480 HA SER 69 HA SER 69 29.593 14.308 -23.515 481 1HB SER 69 1HB SER 69 30.723 16.901 -24.195 482 2HB SER 69 2HB SER 69 31.393 15.613 -23.194 483 HG SER 69 HG SER 69 31.839 16.207 -25.850 484 H CYS 70 H CYS 70 28.890 16.316 -22.235 485 HA CYS 70 HA CYS 70 26.271 16.854 -22.539 486 1HB CYS 70 2HB CYS 70 26.516 18.686 -21.077 487 2HB CYS 70 1HB CYS 70 28.124 19.066 -21.678 488 H THR 71 H THR 71 25.038 18.666 -23.360 489 HA THR 71 HA THR 71 26.253 20.447 -25.267 490 HB THR 71 HB THR 71 26.030 18.360 -26.597 491 HG1 THR 71 HG1 THR 71 25.775 20.544 -27.504 492 1HG2 THR 71 1HG2 THR 71 23.227 18.607 -25.647 493 2HG2 THR 71 2HG2 THR 71 23.478 18.045 -27.299 494 3HG2 THR 71 3HG2 THR 71 24.194 17.163 -25.948 495 H THR 72 H THR 72 24.430 21.622 -26.530 496 HA THR 72 HA THR 72 22.070 21.995 -24.820 497 HB THR 72 HB THR 72 22.363 24.521 -25.521 498 HG1 THR 72 HG1 THR 72 25.086 23.725 -25.329 499 1HG2 THR 72 1HG2 THR 72 23.339 22.958 -23.242 500 2HG2 THR 72 2HG2 THR 72 24.111 24.533 -23.421 501 3HG2 THR 72 3HG2 THR 72 22.356 24.421 -23.272 502 H GLU 73 H GLU 73 21.152 20.653 -26.568 503 HA GLU 73 HA GLU 73 20.375 22.324 -28.863 504 1HB GLU 73 1HB GLU 73 21.383 19.500 -28.843 505 2HB GLU 73 2HB GLU 73 20.288 20.038 -30.108 506 1HG GLU 73 1HG GLU 73 22.488 21.882 -29.714 507 2HG GLU 73 2HG GLU 73 23.039 20.252 -30.100 508 H GLY 74 H GLY 74 19.210 21.106 -26.168 509 1HA GLY 74 1HA GLY 74 16.546 20.795 -27.285 510 2HA GLY 74 2HA GLY 74 17.190 19.373 -26.484 511 H ARG 75 H ARG 75 17.850 22.653 -25.417 512 HA ARG 75 HA ARG 75 16.055 22.205 -23.128 513 1HB ARG 75 2HB ARG 75 18.430 21.823 -22.510 514 2HB ARG 75 1HB ARG 75 17.678 23.137 -21.616 515 1HG ARG 75 1HG ARG 75 18.720 24.670 -23.388 516 2HG ARG 75 2HG ARG 75 19.769 23.967 -22.158 517 1HD ARG 75 1HD ARG 75 21.039 23.180 -23.801 518 2HD ARG 75 2HD ARG 75 19.714 22.098 -24.225 519 HE ARG 75 HE ARG 75 19.543 23.296 -26.147 520 1HH1 ARG 75 1HH1 ARG 75 20.650 25.436 -23.633 521 2HH1 ARG 75 2HH1 ARG 75 20.695 26.830 -24.659 522 1HH2 ARG 75 1HH2 ARG 75 19.596 25.125 -27.508 523 2HH2 ARG 75 2HH2 ARG 75 20.095 26.653 -26.863 524 H GLN 76 H GLN 76 16.849 24.168 -25.696 525 HA GLN 76 HA GLN 76 16.605 26.432 -26.139 526 1HB GLN 76 1HB GLN 76 14.121 26.977 -25.881 527 2HB GLN 76 2HB GLN 76 14.545 25.576 -26.858 528 1HG GLN 76 1HG GLN 76 13.746 24.081 -25.320 529 2HG GLN 76 2HG GLN 76 13.960 25.192 -23.969 530 2HE2 GLN 76 1HE2 GLN 76 11.664 23.596 -25.362 531 1HE2 GLN 76 2HE2 GLN 76 10.363 24.731 -25.350 532 H ASP 77 H ASP 77 17.923 26.399 -23.774 533 HA ASP 77 HA ASP 77 16.771 28.713 -22.440 534 1HB ASP 77 1HB ASP 77 16.718 27.825 -20.295 535 2HB ASP 77 2HB ASP 77 16.155 26.471 -21.271 536 H GLY 78 H GLY 78 19.518 26.443 -22.342 537 1HA GLY 78 1HA GLY 78 21.632 27.584 -23.186 538 2HA GLY 78 2HA GLY 78 21.287 28.766 -21.936 539 H HIS 79 H HIS 79 20.683 25.375 -21.363 540 HA HIS 79 HA HIS 79 23.063 25.306 -19.623 541 1HB HIS 79 2HB HIS 79 21.865 24.082 -17.979 542 2HB HIS 79 1HB HIS 79 20.528 23.766 -19.079 543 HD1 HIS 79 HD1 HIS 79 21.828 27.233 -18.920 544 HD2 HIS 79 HD2 HIS 79 18.768 24.991 -17.228 545 HE1 HIS 79 HE1 HIS 79 20.231 28.906 -17.949 546 HE2 HIS 79 HE2 HIS 79 18.455 27.525 -16.812 547 H LEU 80 H LEU 80 24.387 23.577 -19.756 548 HA LEU 80 HA LEU 80 24.170 21.844 -21.997 549 1HB LEU 80 1HB LEU 80 26.025 21.991 -19.637 550 2HB LEU 80 2HB LEU 80 26.131 20.679 -20.793 551 HG LEU 80 HG LEU 80 26.767 22.130 -22.550 552 1HD1 LEU 80 1HD1 LEU 80 25.103 23.907 -21.942 553 2HD1 LEU 80 2HD1 LEU 80 26.275 24.502 -20.767 554 3HD1 LEU 80 3HD1 LEU 80 26.672 24.500 -22.485 555 1HD2 LEU 80 1HD2 LEU 80 28.122 22.943 -19.984 556 2HD2 LEU 80 2HD2 LEU 80 28.595 21.645 -21.079 557 3HD2 LEU 80 3HD2 LEU 80 28.731 23.326 -21.594 558 H TRP 81 H TRP 81 23.864 19.580 -22.026 559 HA TRP 81 HA TRP 81 23.034 18.235 -19.605 560 1HB TRP 81 1HB TRP 81 20.814 17.624 -20.427 561 2HB TRP 81 2HB TRP 81 20.966 19.374 -20.295 562 HD1 TRP 81 HD1 TRP 81 21.115 20.765 -22.608 563 HE1 TRP 81 HE1 TRP 81 20.295 20.193 -24.977 564 HE3 TRP 81 HE3 TRP 81 20.485 15.721 -22.056 565 HZ2 TRP 81 HZ2 TRP 81 19.484 17.908 -26.423 566 HZ3 TRP 81 HZ3 TRP 81 19.682 14.416 -23.980 567 HH2 TRP 81 HH2 TRP 81 19.193 15.488 -26.120 568 H CYS 82 H CYS 82 22.552 15.950 -19.970 569 HA CYS 82 HA CYS 82 23.544 14.833 -22.477 570 1HB CYS 82 1HB CYS 82 24.851 13.149 -20.957 571 2HB CYS 82 2HB CYS 82 25.574 14.704 -21.355 572 H SER 83 H SER 83 23.514 12.203 -21.948 573 HA SER 83 HA SER 83 20.747 11.743 -21.057 574 1HB SER 83 1HB SER 83 20.992 11.153 -23.370 575 2HB SER 83 2HB SER 83 22.463 10.238 -23.041 576 HG SER 83 HG SER 83 20.131 9.511 -21.694 577 H THR 84 H THR 84 20.298 10.207 -19.525 578 HA THR 84 HA THR 84 22.519 9.350 -17.902 579 HB THR 84 HB THR 84 21.023 8.909 -16.228 580 HG1 THR 84 HG1 THR 84 19.223 7.781 -16.522 581 1HG2 THR 84 1HG2 THR 84 20.689 11.239 -16.997 582 2HG2 THR 84 2HG2 THR 84 19.342 10.690 -17.995 583 3HG2 THR 84 3HG2 THR 84 19.249 10.557 -16.239 584 H THR 85 H THR 85 21.090 8.084 -20.611 585 HA THR 85 HA THR 85 22.406 5.577 -20.273 586 HB THR 85 HB THR 85 20.057 5.425 -19.080 587 HG1 THR 85 HG1 THR 85 20.364 3.299 -19.252 588 1HG2 THR 85 1HG2 THR 85 19.187 5.966 -21.663 589 2HG2 THR 85 2HG2 THR 85 18.987 4.225 -21.500 590 3HG2 THR 85 3HG2 THR 85 18.216 5.313 -20.347 591 H SER 86 H SER 86 21.973 4.104 -22.202 592 HA SER 86 HA SER 86 22.562 5.456 -24.553 593 1HB SER 86 1HB SER 86 21.362 3.011 -25.303 594 2HB SER 86 2HB SER 86 23.082 3.352 -25.111 595 HG SER 86 HG SER 86 23.056 2.156 -23.397 596 H ASN 87 H ASN 87 19.584 3.561 -24.113 597 HA ASN 87 HA ASN 87 18.223 4.926 -26.194 598 1HB ASN 87 1HB ASN 87 17.785 2.640 -24.569 599 2HB ASN 87 2HB ASN 87 16.368 3.673 -24.415 600 2HD2 ASN 87 1HD2 ASN 87 15.906 1.352 -25.528 601 1HD2 ASN 87 2HD2 ASN 87 15.711 1.473 -27.240 602 H TYR 88 H TYR 88 18.495 7.152 -25.542 603 HA TYR 88 HA TYR 88 17.165 8.076 -23.154 604 1HB TYR 88 1HB TYR 88 19.028 9.381 -23.673 605 2HB TYR 88 2HB TYR 88 18.659 9.398 -25.394 606 HD1 TYR 88 HD1 TYR 88 17.430 10.670 -22.117 607 HD2 TYR 88 HD2 TYR 88 17.551 11.221 -26.333 608 HE1 TYR 88 HE1 TYR 88 16.357 12.866 -21.854 609 HE2 TYR 88 HE2 TYR 88 16.475 13.418 -26.083 610 HH TYR 88 HH TYR 88 16.413 15.193 -23.851 611 H GLU 89 H GLU 89 16.517 7.910 -26.592 612 HA GLU 89 HA GLU 89 14.223 9.578 -26.575 613 1HB GLU 89 1HB GLU 89 15.207 7.470 -28.493 614 2HB GLU 89 2HB GLU 89 13.725 8.375 -28.767 615 1HG GLU 89 1HG GLU 89 14.821 10.203 -29.430 616 2HG GLU 89 2HG GLU 89 16.033 10.055 -28.159 617 H GLN 90 H GLN 90 14.754 6.585 -25.216 618 HA GLN 90 HA GLN 90 11.936 5.789 -25.465 619 1HB GLN 90 1HB GLN 90 13.218 3.949 -26.107 620 2HB GLN 90 2HB GLN 90 14.450 4.262 -24.893 621 1HG GLN 90 1HG GLN 90 13.065 2.267 -24.427 622 2HG GLN 90 2HG GLN 90 13.027 3.477 -23.145 623 2HE2 GLN 90 1HE2 GLN 90 11.100 1.516 -23.362 624 1HE2 GLN 90 2HE2 GLN 90 9.591 2.244 -23.787 625 H ASP 91 H ASP 91 14.549 6.011 -23.075 626 HA ASP 91 HA ASP 91 12.747 5.765 -20.853 627 1HB ASP 91 1HB ASP 91 15.656 6.005 -21.246 628 2HB ASP 91 2HB ASP 91 15.053 6.761 -19.773 629 H GLN 92 H GLN 92 14.112 8.347 -22.716 630 HA GLN 92 HA GLN 92 13.884 10.608 -22.660 631 1HB GLN 92 1HB GLN 92 11.463 9.799 -22.759 632 2HB GLN 92 2HB GLN 92 11.388 10.137 -21.035 633 1HG GLN 92 1HG GLN 92 11.009 12.277 -21.422 634 2HG GLN 92 2HG GLN 92 12.473 12.402 -22.398 635 2HE2 GLN 92 1HE2 GLN 92 12.245 11.521 -24.654 636 1HE2 GLN 92 2HE2 GLN 92 10.778 11.888 -25.490 637 H LYS 93 H LYS 93 15.587 9.637 -20.727 638 HA LYS 93 HA LYS 93 15.108 11.536 -18.536 639 1HB LYS 93 1HB LYS 93 15.682 10.047 -16.901 640 2HB LYS 93 2HB LYS 93 14.968 8.936 -18.060 641 1HG LYS 93 1HG LYS 93 17.920 9.484 -17.904 642 2HG LYS 93 2HG LYS 93 17.117 8.192 -17.016 643 1HD LYS 93 1HD LYS 93 16.924 6.901 -18.838 644 2HD LYS 93 2HD LYS 93 16.449 8.256 -19.861 645 1HE LYS 93 1HE LYS 93 19.084 8.794 -19.366 646 2HE LYS 93 2HE LYS 93 19.073 7.034 -19.453 647 1HZ LYS 93 1HZ LYS 93 17.814 7.318 -21.594 648 2HZ LYS 93 2HZ LYS 93 18.210 8.961 -21.528 649 3HZ LYS 93 3HZ LYS 93 19.435 7.797 -21.628 650 H TYR 94 H TYR 94 16.482 13.130 -18.691 651 HA TYR 94 HA TYR 94 19.244 12.565 -19.542 652 1HB TYR 94 1HB TYR 94 19.307 14.594 -20.770 653 2HB TYR 94 2HB TYR 94 17.793 13.821 -21.206 654 HD1 TYR 94 HD1 TYR 94 19.207 16.407 -18.923 655 HD2 TYR 94 HD2 TYR 94 15.787 14.990 -21.022 656 HE1 TYR 94 HE1 TYR 94 17.982 18.450 -18.295 657 HE2 TYR 94 HE2 TYR 94 14.555 17.024 -20.399 658 HH TYR 94 HH TYR 94 15.319 19.514 -19.746 659 H SER 95 H SER 95 20.752 14.409 -18.901 660 HA SER 95 HA SER 95 20.035 15.566 -16.303 661 1HB SER 95 1HB SER 95 22.684 14.918 -15.937 662 2HB SER 95 2HB SER 95 21.320 14.001 -15.297 663 HG SER 95 HG SER 95 22.069 12.434 -16.469 664 H PHE 96 H PHE 96 21.206 17.460 -15.753 665 HA PHE 96 HA PHE 96 22.059 18.959 -18.057 666 1HB PHE 96 1HB PHE 96 21.597 19.603 -15.168 667 2HB PHE 96 2HB PHE 96 22.489 20.733 -16.183 668 HD1 PHE 96 HD1 PHE 96 21.070 20.425 -18.744 669 HD2 PHE 96 HD2 PHE 96 19.575 20.687 -14.769 670 HE1 PHE 96 HE1 PHE 96 18.952 21.329 -19.607 671 HE2 PHE 96 HE2 PHE 96 17.451 21.588 -15.624 672 HZ PHE 96 HZ PHE 96 17.140 21.909 -18.047 673 H CYS 97 H CYS 97 24.027 20.528 -17.530 674 HA CYS 97 HA CYS 97 26.247 19.070 -16.333 675 1HB CYS 97 1HB CYS 97 25.928 19.596 -19.246 676 2HB CYS 97 2HB CYS 97 27.534 19.788 -18.554 677 H THR 98 H THR 98 27.662 20.391 -15.353 678 HA THR 98 HA THR 98 27.095 23.144 -15.091 679 HB THR 98 HB THR 98 29.574 23.063 -14.115 680 HG1 THR 98 HG1 THR 98 30.264 21.062 -14.522 681 1HG2 THR 98 1HG2 THR 98 27.412 23.406 -12.891 682 2HG2 THR 98 2HG2 THR 98 27.300 21.654 -12.722 683 3HG2 THR 98 3HG2 THR 98 28.638 22.528 -11.977 684 H ASP 99 H ASP 99 27.662 24.818 -16.307 685 HA ASP 99 HA ASP 99 28.990 24.584 -18.746 686 1HB ASP 99 1HB ASP 99 28.921 27.153 -17.178 687 2HB ASP 99 2HB ASP 99 28.827 26.930 -18.923 688 H HIS 100 H HIS 100 30.211 25.194 -15.539 689 HA HIS 100 HA HIS 100 32.615 26.347 -15.823 690 1HB HIS 100 1HB HIS 100 31.958 25.563 -13.666 691 2HB HIS 100 2HB HIS 100 31.938 23.889 -14.212 692 HD1 HIS 100 HD1 HIS 100 34.865 25.875 -15.267 693 HD2 HIS 100 HD2 HIS 100 33.822 23.362 -12.126 694 HE1 HIS 100 HE1 HIS 100 37.029 25.288 -14.128 695 HE2 HIS 100 HE2 HIS 100 36.362 23.846 -12.173 696 H THR 101 H THR 101 32.217 22.832 -16.185 697 HA THR 101 HA THR 101 33.714 21.294 -17.060 698 HB THR 101 HB THR 101 32.126 22.139 -18.905 699 HG1 THR 101 HG1 THR 101 32.966 20.573 -20.113 700 1HG2 THR 101 1HG2 THR 101 33.784 24.200 -19.178 701 2HG2 THR 101 2HG2 THR 101 34.563 23.097 -20.312 702 3HG2 THR 101 3HG2 THR 101 32.874 23.550 -20.540 No H/Q in entry = 702 Start of MODEL 33 1 H1 TYR 1 H1 TYR 1 43.363 0.151 -44.463 2 H2 TYR 1 H2 TYR 1 43.334 0.505 -46.117 3 H3 TYR 1 H3 TYR 1 43.949 -0.977 -45.578 4 HA TYR 1 HA TYR 1 45.937 -0.148 -45.028 5 1HB TYR 1 1HB TYR 1 44.797 1.066 -47.309 6 2HB TYR 1 2HB TYR 1 45.701 2.329 -46.480 7 HD1 TYR 1 HD1 TYR 1 46.438 -1.313 -46.751 8 HD2 TYR 1 HD2 TYR 1 47.609 2.646 -47.778 9 HE1 TYR 1 HE1 TYR 1 48.526 -2.187 -47.711 10 HE2 TYR 1 HE2 TYR 1 49.702 1.783 -48.742 11 HH TYR 1 HH TYR 1 50.462 -1.687 -48.674 12 H GLY 2 H GLY 2 43.316 2.012 -44.320 13 1HA GLY 2 1HA GLY 2 45.020 3.804 -42.769 14 2HA GLY 2 2HA GLY 2 43.301 4.003 -43.068 15 H HIS 3 H HIS 3 45.715 2.605 -41.014 16 HA HIS 3 HA HIS 3 43.600 1.719 -39.166 17 1HB HIS 3 1HB HIS 3 46.210 0.524 -39.933 18 2HB HIS 3 2HB HIS 3 45.745 0.395 -38.242 19 HD1 HIS 3 HD1 HIS 3 45.333 -1.244 -41.424 20 HD2 HIS 3 HD2 HIS 3 43.072 -0.875 -37.958 21 HE1 HIS 3 HE1 HIS 3 43.641 -3.101 -41.525 22 HE2 HIS 3 HE2 HIS 3 42.234 -2.811 -39.455 23 H CYS 4 H CYS 4 43.458 2.805 -37.303 24 HA CYS 4 HA CYS 4 45.688 4.577 -36.576 25 1HB CYS 4 1HB CYS 4 43.685 5.367 -34.925 26 2HB CYS 4 2HB CYS 4 43.979 6.046 -36.517 27 H VAL 5 H VAL 5 46.916 4.138 -34.886 28 HA VAL 5 HA VAL 5 45.902 2.240 -32.868 29 HB VAL 5 HB VAL 5 48.763 2.586 -33.777 30 1HG1 VAL 5 1HG1 VAL 5 47.520 1.236 -31.484 31 2HG1 VAL 5 2HG1 VAL 5 48.690 0.267 -32.380 32 3HG1 VAL 5 3HG1 VAL 5 49.168 1.823 -31.701 33 1HG2 VAL 5 1HG2 VAL 5 46.842 1.299 -35.159 34 2HG2 VAL 5 2HG2 VAL 5 48.536 0.807 -35.150 35 3HG2 VAL 5 3HG2 VAL 5 47.378 0.002 -34.091 36 H THR 6 H THR 6 45.290 3.560 -31.237 37 HA THR 6 HA THR 6 46.230 6.004 -30.488 38 HB THR 6 HB THR 6 44.449 5.488 -29.178 39 HG1 THR 6 HG1 THR 6 45.140 5.194 -27.052 40 1HG2 THR 6 1HG2 THR 6 45.500 2.722 -29.358 41 2HG2 THR 6 2HG2 THR 6 44.494 3.107 -27.961 42 3HG2 THR 6 3HG2 THR 6 43.861 3.329 -29.592 43 H ASP 7 H ASP 7 47.108 3.281 -28.407 44 HA ASP 7 HA ASP 7 49.726 4.515 -27.990 45 1HB ASP 7 1HB ASP 7 47.914 2.867 -26.380 46 2HB ASP 7 2HB ASP 7 49.599 2.369 -26.270 47 H SER 8 H SER 8 49.028 1.098 -27.617 48 HA SER 8 HA SER 8 50.383 0.307 -30.016 49 1HB SER 8 1HB SER 8 52.297 -0.784 -28.942 50 2HB SER 8 2HB SER 8 52.312 0.948 -28.614 51 HG SER 8 HG SER 8 51.483 0.521 -26.561 52 H GLY 9 H GLY 9 47.882 -0.168 -28.476 53 1HA GLY 9 1HA GLY 9 48.083 -3.111 -28.375 54 2HA GLY 9 2HA GLY 9 47.183 -2.218 -27.160 55 H VAL 10 H VAL 10 45.869 -0.367 -28.710 56 HA VAL 10 HA VAL 10 43.876 -2.060 -29.981 57 HB VAL 10 HB VAL 10 43.805 0.923 -29.504 58 1HG1 VAL 10 1HG1 VAL 10 41.999 -0.968 -30.805 59 2HG1 VAL 10 2HG1 VAL 10 41.225 0.013 -29.562 60 3HG1 VAL 10 3HG1 VAL 10 42.063 0.793 -30.903 61 1HG2 VAL 10 1HG2 VAL 10 43.976 -0.708 -27.486 62 2HG2 VAL 10 2HG2 VAL 10 42.762 0.571 -27.471 63 3HG2 VAL 10 3HG2 VAL 10 42.296 -1.081 -27.876 64 H VAL 11 H VAL 11 43.258 -1.948 -32.117 65 HA VAL 11 HA VAL 11 44.964 -0.303 -33.870 66 HB VAL 11 HB VAL 11 43.956 -3.110 -34.315 67 1HG1 VAL 11 1HG1 VAL 11 44.503 -1.022 -36.244 68 2HG1 VAL 11 2HG1 VAL 11 45.551 -2.422 -36.477 69 3HG1 VAL 11 3HG1 VAL 11 43.798 -2.622 -36.482 70 1HG2 VAL 11 1HG2 VAL 11 46.509 -1.898 -33.580 71 2HG2 VAL 11 2HG2 VAL 11 45.949 -3.561 -33.400 72 3HG2 VAL 11 3HG2 VAL 11 46.622 -3.020 -34.937 73 H TYR 12 H TYR 12 43.254 1.307 -33.688 74 HA TYR 12 HA TYR 12 40.613 0.834 -34.578 75 1HB TYR 12 1HB TYR 12 42.264 3.353 -34.363 76 2HB TYR 12 2HB TYR 12 40.585 3.361 -34.887 77 HD1 TYR 12 HD1 TYR 12 38.892 2.207 -33.261 78 HD2 TYR 12 HD2 TYR 12 42.750 3.591 -32.125 79 HE1 TYR 12 HE1 TYR 12 38.161 2.292 -30.912 80 HE2 TYR 12 HE2 TYR 12 42.032 3.679 -29.771 81 HH TYR 12 HH TYR 12 40.253 2.528 -28.343 82 H SER 13 H SER 13 39.997 2.637 -36.487 83 HA SER 13 HA SER 13 41.680 2.005 -38.802 84 1HB SER 13 1HB SER 13 38.770 1.397 -38.439 85 2HB SER 13 2HB SER 13 39.379 1.785 -40.046 86 HG SER 13 HG SER 13 40.862 -0.058 -38.615 87 H VAL 14 H VAL 14 41.487 3.474 -40.556 88 HA VAL 14 HA VAL 14 41.450 6.139 -39.930 89 HB VAL 14 HB VAL 14 42.404 5.527 -41.998 90 1HG1 VAL 14 1HG1 VAL 14 39.720 4.337 -42.643 91 2HG1 VAL 14 2HG1 VAL 14 40.949 4.637 -43.871 92 3HG1 VAL 14 3HG1 VAL 14 41.282 3.525 -42.544 93 1HG2 VAL 14 1HG2 VAL 14 40.588 7.592 -41.817 94 2HG2 VAL 14 2HG2 VAL 14 41.780 7.368 -43.097 95 3HG2 VAL 14 3HG2 VAL 14 40.132 6.780 -43.314 96 H GLY 15 H GLY 15 39.649 6.561 -38.572 97 1HA GLY 15 1HA GLY 15 37.693 7.967 -38.688 98 2HA GLY 15 2HA GLY 15 37.179 7.054 -40.095 99 H MET 16 H MET 16 38.401 5.605 -37.128 100 HA MET 16 HA MET 16 35.943 4.093 -36.878 101 1HB MET 16 1HB MET 16 38.691 3.840 -35.947 102 2HB MET 16 2HB MET 16 37.525 3.481 -34.680 103 1HG MET 16 1HG MET 16 37.052 2.247 -37.324 104 2HG MET 16 2HG MET 16 38.422 1.650 -36.389 105 1HE MET 16 1HE MET 16 38.274 0.558 -34.071 106 2HE MET 16 2HE MET 16 36.982 -0.625 -33.876 107 3HE MET 16 3HE MET 16 37.952 -0.616 -35.348 108 H GLN 17 H GLN 17 37.646 6.656 -35.196 109 HA GLN 17 HA GLN 17 37.029 8.081 -33.538 110 1HB GLN 17 1HB GLN 17 34.641 7.520 -35.035 111 2HB GLN 17 2HB GLN 17 34.233 7.734 -33.338 112 1HG GLN 17 1HG GLN 17 35.677 9.862 -33.490 113 2HG GLN 17 2HG GLN 17 35.492 9.674 -35.233 114 2HE2 GLN 17 1HE2 GLN 17 34.553 11.891 -33.874 115 1HE2 GLN 17 2HE2 GLN 17 32.826 11.896 -33.925 116 H TRP 18 H TRP 18 37.379 7.746 -31.453 117 HA TRP 18 HA TRP 18 35.741 5.868 -29.967 118 1HB TRP 18 1HB TRP 18 37.492 4.496 -29.172 119 2HB TRP 18 2HB TRP 18 37.747 4.606 -30.910 120 HD1 TRP 18 HD1 TRP 18 39.249 5.773 -27.586 121 HE1 TRP 18 HE1 TRP 18 41.668 6.542 -28.005 122 HE3 TRP 18 HE3 TRP 18 39.306 5.538 -32.697 123 HZ2 TRP 18 HZ2 TRP 18 43.376 6.988 -30.211 124 HZ3 TRP 18 HZ3 TRP 18 41.372 6.149 -33.880 125 HH2 TRP 18 HH2 TRP 18 43.363 6.860 -32.660 126 H LEU 19 H LEU 19 36.728 5.836 -27.562 127 HA LEU 19 HA LEU 19 37.524 8.574 -26.858 128 1HB LEU 19 1HB LEU 19 35.092 8.410 -26.620 129 2HB LEU 19 2HB LEU 19 35.281 7.018 -25.571 130 HG LEU 19 HG LEU 19 36.792 8.880 -24.266 131 1HD1 LEU 19 1HD1 LEU 19 34.706 10.282 -25.854 132 2HD1 LEU 19 2HD1 LEU 19 35.003 10.810 -24.198 133 3HD1 LEU 19 3HD1 LEU 19 36.315 10.817 -25.374 134 1HD2 LEU 19 1HD2 LEU 19 34.786 7.295 -23.618 135 2HD2 LEU 19 2HD2 LEU 19 35.244 8.660 -22.600 136 3HD2 LEU 19 3HD2 LEU 19 33.874 8.802 -23.701 137 H LYS 20 H LYS 20 38.722 8.796 -24.982 138 HA LYS 20 HA LYS 20 39.291 6.463 -23.349 139 1HB LYS 20 2HB LYS 20 40.883 6.272 -25.225 140 2HB LYS 20 1HB LYS 20 41.693 6.545 -23.688 141 1HG LYS 20 1HG LYS 20 41.235 8.536 -25.893 142 2HG LYS 20 2HG LYS 20 41.837 8.968 -24.292 143 1HD LYS 20 1HD LYS 20 43.180 6.822 -25.890 144 2HD LYS 20 2HD LYS 20 43.528 8.523 -26.208 145 1HE LYS 20 1HE LYS 20 44.803 8.695 -24.385 146 2HE LYS 20 2HE LYS 20 43.589 7.911 -23.375 147 1HZ LYS 20 1HZ LYS 20 45.054 6.172 -25.182 148 2HZ LYS 20 2HZ LYS 20 45.958 6.842 -23.918 149 3HZ LYS 20 3HZ LYS 20 44.583 5.917 -23.578 150 H THR 21 H THR 21 41.536 7.424 -22.028 151 HA THR 21 HA THR 21 40.473 9.864 -20.757 152 HB THR 21 HB THR 21 42.190 8.827 -18.899 153 HG1 THR 21 HG1 THR 21 42.031 6.644 -18.893 154 1HG2 THR 21 1HG2 THR 21 39.744 9.627 -18.761 155 2HG2 THR 21 2HG2 THR 21 39.325 7.932 -19.011 156 3HG2 THR 21 3HG2 THR 21 40.285 8.407 -17.608 157 H GLN 22 H GLN 22 41.705 11.632 -20.751 158 HA GLN 22 HA GLN 22 44.574 11.509 -20.731 159 1HB GLN 22 1HB GLN 22 43.094 12.404 -23.195 160 2HB GLN 22 2HB GLN 22 44.728 12.947 -22.843 161 1HG GLN 22 1HG GLN 22 45.083 10.312 -22.572 162 2HG GLN 22 2HG GLN 22 43.751 10.309 -23.727 163 2HE2 GLN 22 1HE2 GLN 22 47.037 11.351 -23.147 164 1HE2 GLN 22 2HE2 GLN 22 47.462 11.586 -24.805 165 H GLY 23 H GLY 23 41.667 13.461 -21.138 166 1HA GLY 23 1HA GLY 23 42.874 15.939 -20.451 167 2HA GLY 23 2HA GLY 23 41.153 15.598 -20.461 168 H ASN 24 H ASN 24 40.708 13.831 -18.577 169 HA ASN 24 HA ASN 24 42.133 14.010 -16.181 170 1HB ASN 24 1HB ASN 24 40.831 16.409 -16.739 171 2HB ASN 24 2HB ASN 24 39.778 15.602 -15.580 172 2HD2 ASN 24 1HD2 ASN 24 40.641 17.724 -14.544 173 1HD2 ASN 24 2HD2 ASN 24 42.000 17.514 -13.498 174 H LYS 25 H LYS 25 39.036 13.643 -17.776 175 HA LYS 25 HA LYS 25 38.374 11.506 -15.863 176 1HB LYS 25 2HB LYS 25 36.146 12.166 -15.705 177 2HB LYS 25 1HB LYS 25 36.217 13.114 -17.185 178 1HG LYS 25 1HG LYS 25 37.642 14.760 -16.019 179 2HG LYS 25 2HG LYS 25 36.039 14.587 -15.300 180 1HD LYS 25 1HD LYS 25 38.084 12.805 -14.179 181 2HD LYS 25 2HD LYS 25 38.382 14.523 -13.914 182 1HE LYS 25 1HE LYS 25 35.997 14.677 -13.090 183 2HE LYS 25 2HE LYS 25 35.968 12.915 -13.110 184 1HZ LYS 25 1HZ LYS 25 38.192 13.341 -11.729 185 2HZ LYS 25 2HZ LYS 25 37.329 14.728 -11.290 186 3HZ LYS 25 3HZ LYS 25 36.671 13.195 -11.003 187 H GLN 26 H GLN 26 37.351 12.838 -19.005 188 HA GLN 26 HA GLN 26 37.810 10.280 -20.276 189 1HB GLN 26 1HB GLN 26 35.085 11.370 -19.739 190 2HB GLN 26 2HB GLN 26 35.369 10.560 -21.273 191 1HG GLN 26 1HG GLN 26 35.966 9.331 -18.594 192 2HG GLN 26 2HG GLN 26 34.450 9.112 -19.465 193 2HE2 GLN 26 1HE2 GLN 26 34.460 7.086 -20.153 194 1HE2 GLN 26 2HE2 GLN 26 35.736 6.327 -21.035 195 H MET 27 H MET 27 38.909 10.820 -22.024 196 HA MET 27 HA MET 27 38.157 13.267 -23.481 197 1HB MET 27 1HB MET 27 40.424 13.318 -22.536 198 2HB MET 27 2HB MET 27 40.824 11.840 -23.402 199 1HG MET 27 1HG MET 27 39.817 13.776 -25.241 200 2HG MET 27 2HG MET 27 41.093 14.500 -24.265 201 1HE MET 27 1HE MET 27 42.915 14.890 -25.627 202 2HE MET 27 2HE MET 27 43.754 13.790 -24.535 203 3HE MET 27 3HE MET 27 44.007 13.666 -26.275 204 H LEU 28 H LEU 28 38.148 13.179 -25.799 205 HA LEU 28 HA LEU 28 37.615 10.461 -26.791 206 1HB LEU 28 1HB LEU 28 35.741 12.027 -26.908 207 2HB LEU 28 2HB LEU 28 36.707 13.122 -27.879 208 HG LEU 28 HG LEU 28 36.778 10.659 -29.225 209 1HD1 LEU 28 1HD1 LEU 28 34.408 10.861 -27.649 210 2HD1 LEU 28 2HD1 LEU 28 33.986 10.991 -29.356 211 3HD1 LEU 28 3HD1 LEU 28 34.891 9.593 -28.774 212 1HD2 LEU 28 1HD2 LEU 28 36.784 12.961 -30.162 213 2HD2 LEU 28 2HD2 LEU 28 35.651 11.873 -30.965 214 3HD2 LEU 28 3HD2 LEU 28 35.059 13.066 -29.809 215 H CYS 29 H CYS 29 38.944 9.558 -28.188 216 HA CYS 29 HA CYS 29 40.875 11.255 -29.622 217 1HB CYS 29 1HB CYS 29 41.009 8.523 -28.456 218 2HB CYS 29 2HB CYS 29 41.893 8.793 -29.952 219 H THR 30 H THR 30 40.972 11.207 -31.828 220 HA THR 30 HA THR 30 39.333 9.225 -33.249 221 HB THR 30 HB THR 30 39.260 12.195 -33.816 222 HG1 THR 30 HG1 THR 30 37.675 12.128 -32.417 223 1HG2 THR 30 1HG2 THR 30 37.859 9.882 -35.165 224 2HG2 THR 30 2HG2 THR 30 37.550 11.587 -35.489 225 3HG2 THR 30 3HG2 THR 30 39.127 10.890 -35.864 226 H CYS 31 H CYS 31 40.046 8.662 -35.283 227 HA CYS 31 HA CYS 31 42.679 9.739 -36.020 228 1HB CYS 31 1HB CYS 31 42.897 7.569 -37.332 229 2HB CYS 31 2HB CYS 31 42.959 7.438 -35.581 230 H LEU 32 H LEU 32 42.515 11.172 -37.559 231 HA LEU 32 HA LEU 32 40.304 11.225 -39.393 232 1HB LEU 32 1HB LEU 32 41.989 13.093 -40.381 233 2HB LEU 32 2HB LEU 32 40.847 13.386 -39.084 234 HG LEU 32 HG LEU 32 43.575 12.430 -38.360 235 1HD1 LEU 32 1HD1 LEU 32 43.861 14.240 -40.066 236 2HD1 LEU 32 2HD1 LEU 32 43.012 15.319 -38.960 237 3HD1 LEU 32 3HD1 LEU 32 44.542 14.587 -38.478 238 1HD2 LEU 32 1HD2 LEU 32 41.505 12.940 -36.831 239 2HD2 LEU 32 2HD2 LEU 32 43.132 13.400 -36.327 240 3HD2 LEU 32 3HD2 LEU 32 42.049 14.608 -37.017 241 H GLY 33 H GLY 33 43.489 11.962 -40.611 242 1HA GLY 33 1HA GLY 33 43.448 9.532 -42.265 243 2HA GLY 33 2HA GLY 33 43.530 11.101 -43.052 244 H ASN 34 H ASN 34 45.239 12.339 -41.126 245 HA ASN 34 HA ASN 34 47.761 11.169 -41.983 246 1HB ASN 34 2HB ASN 34 47.377 13.593 -42.277 247 2HB ASN 34 1HB ASN 34 48.768 13.263 -41.248 248 2HD2 ASN 34 1HD2 ASN 34 48.544 15.396 -40.437 249 1HD2 ASN 34 2HD2 ASN 34 47.360 15.759 -39.233 250 H GLY 35 H GLY 35 45.984 11.894 -39.029 251 1HA GLY 35 1HA GLY 35 47.594 9.952 -37.596 252 2HA GLY 35 2HA GLY 35 47.757 11.606 -37.027 253 H VAL 36 H VAL 36 46.872 11.181 -35.018 254 HA VAL 36 HA VAL 36 43.972 10.660 -35.029 255 HB VAL 36 HB VAL 36 46.101 9.503 -33.269 256 1HG1 VAL 36 1HG1 VAL 36 43.524 10.535 -32.326 257 2HG1 VAL 36 2HG1 VAL 36 43.835 8.849 -31.905 258 3HG1 VAL 36 3HG1 VAL 36 44.976 10.103 -31.421 259 1HG2 VAL 36 1HG2 VAL 36 44.748 8.422 -35.259 260 2HG2 VAL 36 2HG2 VAL 36 45.192 7.492 -33.826 261 3HG2 VAL 36 3HG2 VAL 36 43.563 8.147 -33.982 262 H SER 37 H SER 37 42.900 12.409 -34.423 263 HA SER 37 HA SER 37 44.184 14.289 -32.559 264 1HB SER 37 1HB SER 37 43.718 15.426 -34.594 265 2HB SER 37 2HB SER 37 42.113 14.707 -34.713 266 HG SER 37 HG SER 37 41.826 16.755 -33.950 267 H CYS 38 H CYS 38 43.442 14.251 -30.551 268 HA CYS 38 HA CYS 38 40.708 13.278 -30.076 269 1HB CYS 38 1HB CYS 38 42.716 13.541 -27.879 270 2HB CYS 38 2HB CYS 38 41.396 12.396 -28.051 271 H GLN 39 H GLN 39 39.443 14.303 -28.415 272 HA GLN 39 HA GLN 39 40.231 17.072 -27.823 273 1HB GLN 39 1HB GLN 39 37.573 17.383 -28.050 274 2HB GLN 39 2HB GLN 39 38.688 17.648 -29.384 275 1HG GLN 39 1HG GLN 39 38.120 15.669 -30.428 276 2HG GLN 39 2HG GLN 39 37.497 14.947 -28.945 277 2HE2 GLN 39 1HE2 GLN 39 36.786 18.145 -30.224 278 1HE2 GLN 39 2HE2 GLN 39 35.102 17.866 -30.493 279 H GLU 40 H GLU 40 40.444 17.163 -25.693 280 HA GLU 40 HA GLU 40 39.535 15.426 -23.789 281 1HB GLU 40 1HB GLU 40 39.662 17.450 -22.210 282 2HB GLU 40 2HB GLU 40 41.121 16.999 -23.080 283 1HG GLU 40 1HG GLU 40 39.481 18.919 -24.523 284 2HG GLU 40 2HG GLU 40 40.027 19.506 -22.953 285 H THR 41 H THR 41 37.418 14.775 -24.260 286 HA THR 41 HA THR 41 35.180 16.294 -24.666 287 HB THR 41 HB THR 41 35.573 13.658 -23.290 288 HG1 THR 41 HG1 THR 41 34.246 14.528 -25.655 289 1HG2 THR 41 1HG2 THR 41 33.191 15.378 -23.087 290 2HG2 THR 41 2HG2 THR 41 32.880 13.723 -23.609 291 3HG2 THR 41 3HG2 THR 41 33.702 14.025 -22.077 292 H ALA 42 H ALA 42 36.851 15.678 -21.643 293 HA ALA 42 HA ALA 42 36.427 16.365 -19.490 294 1HB ALA 42 3HB ALA 42 37.334 18.384 -19.632 295 2HB ALA 42 2HB ALA 42 35.715 19.032 -19.895 296 3HB ALA 42 1HB ALA 42 36.727 18.601 -21.273 297 H VAL 43 H VAL 43 34.613 15.244 -18.875 298 HA VAL 43 HA VAL 43 31.977 15.717 -19.576 299 HB VAL 43 HB VAL 43 31.382 14.633 -17.412 300 1HG1 VAL 43 1HG1 VAL 43 33.118 13.553 -19.486 301 2HG1 VAL 43 2HG1 VAL 43 33.200 12.653 -17.973 302 3HG1 VAL 43 3HG1 VAL 43 31.648 12.885 -18.778 303 1HG2 VAL 43 1HG2 VAL 43 34.340 14.916 -16.949 304 2HG2 VAL 43 2HG2 VAL 43 33.017 15.484 -15.929 305 3HG2 VAL 43 3HG2 VAL 43 33.339 13.756 -16.074 306 H THR 44 H THR 44 30.489 16.217 -17.324 307 HA THR 44 HA THR 44 31.132 18.373 -15.731 308 HB THR 44 HB THR 44 31.473 19.861 -17.493 309 HG1 THR 44 HG1 THR 44 28.700 20.289 -17.185 310 1HG2 THR 44 1HG2 THR 44 29.409 18.244 -18.856 311 2HG2 THR 44 2HG2 THR 44 29.444 19.960 -19.262 312 3HG2 THR 44 3HG2 THR 44 30.885 18.970 -19.493 313 H GLN 45 H GLN 45 28.988 19.737 -15.231 314 HA GLN 45 HA GLN 45 26.951 17.716 -14.692 315 1HB GLN 45 1HB GLN 45 26.173 19.120 -12.966 316 2HB GLN 45 2HB GLN 45 27.926 19.236 -12.895 317 1HG GLN 45 1HG GLN 45 27.927 21.381 -13.841 318 2HG GLN 45 2HG GLN 45 26.256 21.228 -14.384 319 2HE2 GLN 45 1HE2 GLN 45 24.665 21.906 -13.090 320 1HE2 GLN 45 2HE2 GLN 45 24.878 22.478 -11.474 321 H THR 46 H THR 46 24.710 19.230 -14.360 322 HA THR 46 HA THR 46 24.218 20.612 -16.891 323 HB THR 46 HB THR 46 21.988 19.331 -17.019 324 HG1 THR 46 HG1 THR 46 21.746 17.844 -15.543 325 1HG2 THR 46 1HG2 THR 46 24.573 18.790 -18.073 326 2HG2 THR 46 2HG2 THR 46 23.776 17.249 -17.757 327 3HG2 THR 46 3HG2 THR 46 23.000 18.447 -18.792 328 H TYR 47 H TYR 47 22.265 21.895 -16.884 329 HA TYR 47 HA TYR 47 20.802 22.217 -14.424 330 1HB TYR 47 2HB TYR 47 22.807 23.519 -13.908 331 2HB TYR 47 1HB TYR 47 21.411 24.577 -14.086 332 HD1 TYR 47 HD1 TYR 47 21.109 25.778 -16.324 333 HD2 TYR 47 HD2 TYR 47 24.744 23.894 -15.170 334 HE1 TYR 47 HE1 TYR 47 22.325 27.121 -17.987 335 HE2 TYR 47 HE2 TYR 47 25.971 25.232 -16.829 336 HH TYR 47 HH TYR 47 25.458 26.433 -18.971 337 H GLY 48 H GLY 48 18.774 22.752 -14.905 338 1HA GLY 48 1HA GLY 48 16.961 23.642 -16.005 339 2HA GLY 48 2HA GLY 48 18.076 24.692 -16.866 340 H GLY 49 H GLY 49 17.732 24.497 -18.976 341 1HA GLY 49 1HA GLY 49 17.771 23.473 -21.053 342 2HA GLY 49 2HA GLY 49 18.055 21.936 -20.250 343 H ASN 50 H ASN 50 16.533 20.544 -20.835 344 HA ASN 50 HA ASN 50 13.746 21.498 -20.933 345 1HB ASN 50 1HB ASN 50 15.096 20.514 -23.053 346 2HB ASN 50 2HB ASN 50 14.454 19.015 -22.389 347 2HD2 ASN 50 1HD2 ASN 50 13.768 21.887 -24.103 348 1HD2 ASN 50 2HD2 ASN 50 12.085 21.601 -24.365 349 H SER 51 H SER 51 15.969 19.371 -19.488 350 HA SER 51 HA SER 51 13.771 17.824 -18.283 351 1HB SER 51 1HB SER 51 15.816 16.768 -19.702 352 2HB SER 51 2HB SER 51 16.525 16.756 -18.087 353 HG SER 51 HG SER 51 13.929 15.756 -18.567 354 H ASN 52 H ASN 52 15.205 20.441 -17.551 355 HA ASN 52 HA ASN 52 15.692 21.538 -15.619 356 1HB ASN 52 1HB ASN 52 13.849 20.504 -14.541 357 2HB ASN 52 2HB ASN 52 14.672 18.952 -14.451 358 2HD2 ASN 52 1HD2 ASN 52 14.323 22.097 -13.061 359 1HD2 ASN 52 2HD2 ASN 52 15.231 21.792 -11.623 360 H GLY 53 H GLY 53 17.475 19.226 -16.919 361 1HA GLY 53 1HA GLY 53 19.870 19.323 -16.667 362 2HA GLY 53 2HA GLY 53 19.633 19.599 -14.949 363 H GLU 54 H GLU 54 17.962 17.157 -16.856 364 HA GLU 54 HA GLU 54 18.694 15.101 -15.013 365 1HB GLU 54 1HB GLU 54 17.238 15.085 -17.653 366 2HB GLU 54 2HB GLU 54 17.572 13.609 -16.763 367 1HG GLU 54 1HG GLU 54 15.569 15.683 -16.290 368 2HG GLU 54 2HG GLU 54 15.558 13.974 -15.867 369 HA PRO 55 HA PRO 55 22.381 13.300 -16.569 370 1HB PRO 55 1HB PRO 55 21.490 10.714 -17.201 371 2HB PRO 55 2HB PRO 55 22.136 11.244 -15.647 372 1HG PRO 55 2HG PRO 55 20.034 10.637 -14.924 373 2HG PRO 55 1HG PRO 55 19.304 10.924 -16.514 374 1HD PRO 55 1HD PRO 55 18.548 12.811 -15.395 375 2HD PRO 55 2HD PRO 55 19.992 12.892 -14.362 376 H CYS 56 H CYS 56 23.438 13.029 -18.490 377 HA CYS 56 HA CYS 56 21.904 13.524 -20.885 378 1HB CYS 56 1HB CYS 56 24.872 13.050 -20.766 379 2HB CYS 56 2HB CYS 56 23.960 13.996 -21.936 380 H VAL 57 H VAL 57 22.945 12.301 -22.919 381 HA VAL 57 HA VAL 57 23.200 9.443 -22.371 382 HB VAL 57 HB VAL 57 20.764 9.930 -22.715 383 1HG1 VAL 57 1HG1 VAL 57 21.598 11.616 -24.677 384 2HG1 VAL 57 2HG1 VAL 57 21.097 10.209 -25.616 385 3HG1 VAL 57 3HG1 VAL 57 19.956 10.991 -24.522 386 1HG2 VAL 57 1HG2 VAL 57 22.400 7.929 -23.914 387 2HG2 VAL 57 2HG2 VAL 57 20.736 7.800 -23.342 388 3HG2 VAL 57 3HG2 VAL 57 21.061 8.293 -25.004 389 H LEU 58 H LEU 58 25.358 10.606 -23.099 390 HA LEU 58 HA LEU 58 25.530 10.482 -26.032 391 1HB LEU 58 1HB LEU 58 27.897 11.555 -25.331 392 2HB LEU 58 2HB LEU 58 26.466 12.498 -25.701 393 HG LEU 58 HG LEU 58 27.633 13.268 -23.666 394 1HD1 LEU 58 1HD1 LEU 58 24.923 12.917 -24.074 395 2HD1 LEU 58 2HD1 LEU 58 25.187 12.325 -22.435 396 3HD1 LEU 58 3HD1 LEU 58 25.678 13.962 -22.871 397 1HD2 LEU 58 1HD2 LEU 58 27.577 10.461 -23.057 398 2HD2 LEU 58 2HD2 LEU 58 28.451 11.765 -22.251 399 3HD2 LEU 58 3HD2 LEU 58 26.798 11.382 -21.771 400 HA PRO 59 HA PRO 59 27.834 10.925 -27.086 401 1HB PRO 59 1HB PRO 59 28.439 8.847 -29.048 402 2HB PRO 59 2HB PRO 59 29.427 10.213 -28.531 403 1HG PRO 59 1HG PRO 59 30.041 7.654 -27.898 404 2HG PRO 59 2HG PRO 59 30.428 9.021 -26.838 405 1HD PRO 59 2HD PRO 59 29.195 7.738 -25.356 406 2HD PRO 59 1HD PRO 59 28.187 7.048 -26.645 407 H PHE 60 H PHE 60 26.303 11.696 -28.434 408 HA PHE 60 HA PHE 60 24.204 9.822 -29.316 409 1HB PHE 60 1HB PHE 60 22.718 11.902 -29.292 410 2HB PHE 60 2HB PHE 60 23.190 11.247 -27.727 411 HD1 PHE 60 HD1 PHE 60 23.684 13.988 -30.112 412 HD2 PHE 60 HD2 PHE 60 24.629 12.463 -26.253 413 HE1 PHE 60 HE1 PHE 60 24.585 16.186 -29.468 414 HE2 PHE 60 HE2 PHE 60 25.531 14.659 -25.603 415 HZ PHE 60 HZ PHE 60 25.514 16.520 -27.214 416 H THR 61 H THR 61 22.825 11.265 -31.096 417 HA THR 61 HA THR 61 24.811 12.166 -33.074 418 HB THR 61 HB THR 61 22.350 10.867 -34.097 419 HG1 THR 61 HG1 THR 61 24.517 9.391 -32.972 420 1HG2 THR 61 1HG2 THR 61 24.161 11.842 -35.524 421 2HG2 THR 61 2HG2 THR 61 25.242 10.592 -34.910 422 3HG2 THR 61 3HG2 THR 61 23.820 10.142 -35.851 423 H TYR 62 H TYR 62 24.428 14.116 -33.875 424 HA TYR 62 HA TYR 62 21.710 15.085 -34.181 425 1HB TYR 62 1HB TYR 62 22.122 15.817 -31.941 426 2HB TYR 62 2HB TYR 62 23.724 16.410 -32.365 427 HD1 TYR 62 HD1 TYR 62 20.101 17.015 -32.827 428 HD2 TYR 62 HD2 TYR 62 24.032 18.594 -33.211 429 HE1 TYR 62 HE1 TYR 62 19.158 19.243 -33.273 430 HE2 TYR 62 HE2 TYR 62 23.106 20.819 -33.652 431 HH TYR 62 HH TYR 62 21.102 21.872 -34.384 432 H ASN 63 H ASN 63 21.506 16.373 -35.924 433 HA ASN 63 HA ASN 63 22.039 17.680 -37.715 434 1HB ASN 63 1HB ASN 63 24.106 18.302 -35.790 435 2HB ASN 63 2HB ASN 63 24.747 18.350 -37.429 436 2HD2 ASN 63 1HD2 ASN 63 24.177 20.478 -35.448 437 1HD2 ASN 63 2HD2 ASN 63 23.158 21.602 -36.274 438 H GLY 64 H GLY 64 23.231 14.749 -37.041 439 1HA GLY 64 1HA GLY 64 23.632 13.225 -38.871 440 2HA GLY 64 2HA GLY 64 24.472 14.523 -39.705 441 H ARG 65 H ARG 65 25.596 15.009 -36.784 442 HA ARG 65 HA ARG 65 27.849 13.157 -37.152 443 1HB ARG 65 1HB ARG 65 29.214 14.789 -35.966 444 2HB ARG 65 2HB ARG 65 28.403 15.546 -37.328 445 1HG ARG 65 1HG ARG 65 26.640 15.955 -35.261 446 2HG ARG 65 2HG ARG 65 28.215 16.130 -34.491 447 1HD ARG 65 1HD ARG 65 27.501 18.278 -35.298 448 2HD ARG 65 2HD ARG 65 28.863 17.723 -36.272 449 HE ARG 65 HE ARG 65 26.365 16.995 -37.422 450 1HH1 ARG 65 1HH1 ARG 65 28.600 19.636 -37.037 451 2HH1 ARG 65 2HH1 ARG 65 28.100 20.441 -38.487 452 1HH2 ARG 65 1HH2 ARG 65 25.700 18.045 -39.335 453 2HH2 ARG 65 2HH2 ARG 65 26.452 19.536 -39.794 454 H THR 66 H THR 66 29.001 13.576 -34.594 455 HA THR 66 HA THR 66 26.993 12.606 -32.704 456 HB THR 66 HB THR 66 29.590 11.123 -33.143 457 HG1 THR 66 HG1 THR 66 26.938 10.531 -34.001 458 1HG2 THR 66 1HG2 THR 66 28.039 11.216 -30.907 459 2HG2 THR 66 2HG2 THR 66 27.340 9.840 -31.759 460 3HG2 THR 66 3HG2 THR 66 29.058 9.852 -31.361 461 H PHE 67 H PHE 67 27.491 12.958 -30.543 462 HA PHE 67 HA PHE 67 30.012 14.347 -29.966 463 1HB PHE 67 1HB PHE 67 27.451 15.301 -28.726 464 2HB PHE 67 2HB PHE 67 28.977 16.158 -28.918 465 HD1 PHE 67 HD1 PHE 67 26.319 14.604 -31.032 466 HD2 PHE 67 HD2 PHE 67 29.086 17.798 -30.515 467 HE1 PHE 67 HE1 PHE 67 25.457 15.675 -33.072 468 HE2 PHE 67 HE2 PHE 67 28.230 18.873 -32.556 469 HZ PHE 67 HZ PHE 67 26.414 17.813 -33.836 470 H TYR 68 H TYR 68 31.029 13.452 -28.308 471 HA TYR 68 HA TYR 68 29.748 11.437 -26.713 472 1HB TYR 68 1HB TYR 68 32.531 12.534 -26.908 473 2HB TYR 68 2HB TYR 68 32.084 11.512 -25.548 474 HD1 TYR 68 HD1 TYR 68 31.242 11.345 -29.187 475 HD2 TYR 68 HD2 TYR 68 33.044 9.432 -25.842 476 HE1 TYR 68 HE1 TYR 68 31.666 9.351 -30.562 477 HE2 TYR 68 HE2 TYR 68 33.480 7.436 -27.209 478 HH TYR 68 HH TYR 68 33.584 6.672 -29.375 479 H SER 69 H SER 69 29.797 14.743 -26.479 480 HA SER 69 HA SER 69 28.887 14.647 -23.743 481 1HB SER 69 1HB SER 69 31.560 15.701 -24.458 482 2HB SER 69 2HB SER 69 30.601 16.699 -23.367 483 HG SER 69 HG SER 69 30.409 14.901 -21.991 484 H CYS 70 H CYS 70 28.730 17.188 -23.029 485 HA CYS 70 HA CYS 70 26.637 18.226 -24.559 486 1HB CYS 70 2HB CYS 70 26.643 20.062 -23.070 487 2HB CYS 70 1HB CYS 70 28.359 19.884 -22.726 488 H THR 71 H THR 71 26.627 20.500 -25.451 489 HA THR 71 HA THR 71 28.946 21.736 -26.430 490 HB THR 71 HB THR 71 29.241 19.803 -27.851 491 HG1 THR 71 HG1 THR 71 28.861 20.967 -29.957 492 1HG2 THR 71 1HG2 THR 71 26.352 20.264 -28.539 493 2HG2 THR 71 2HG2 THR 71 27.437 19.436 -29.655 494 3HG2 THR 71 3HG2 THR 71 27.154 18.772 -28.048 495 H THR 72 H THR 72 28.472 23.477 -27.977 496 HA THR 72 HA THR 72 25.714 24.418 -27.630 497 HB THR 72 HB THR 72 26.660 26.656 -28.286 498 HG1 THR 72 HG1 THR 72 28.570 25.758 -29.316 499 1HG2 THR 72 1HG2 THR 72 27.550 25.167 -25.846 500 2HG2 THR 72 2HG2 THR 72 28.059 26.836 -26.102 501 3HG2 THR 72 3HG2 THR 72 26.343 26.445 -25.998 502 H GLU 73 H GLU 73 27.065 22.611 -29.780 503 HA GLU 73 HA GLU 73 27.112 23.784 -32.260 504 1HB GLU 73 1HB GLU 73 26.247 21.496 -33.079 505 2HB GLU 73 2HB GLU 73 27.772 21.540 -32.206 506 1HG GLU 73 2HG GLU 73 26.257 21.066 -30.153 507 2HG GLU 73 1HG GLU 73 26.770 19.773 -31.231 508 H GLY 74 H GLY 74 24.424 23.245 -30.229 509 1HA GLY 74 1HA GLY 74 22.519 23.655 -32.416 510 2HA GLY 74 2HA GLY 74 22.125 23.117 -30.790 511 H ARG 75 H ARG 75 24.290 25.651 -30.629 512 HA ARG 75 HA ARG 75 22.326 27.769 -30.813 513 1HB ARG 75 1HB ARG 75 22.886 28.475 -28.414 514 2HB ARG 75 2HB ARG 75 21.770 27.137 -28.637 515 1HG ARG 75 1HG ARG 75 24.428 26.114 -28.489 516 2HG ARG 75 2HG ARG 75 24.141 27.190 -27.123 517 1HD ARG 75 1HD ARG 75 22.887 24.597 -27.802 518 2HD ARG 75 2HD ARG 75 23.341 25.257 -26.235 519 HE ARG 75 HE ARG 75 20.784 25.351 -27.406 520 1HH1 ARG 75 1HH1 ARG 75 23.008 27.354 -25.637 521 2HH1 ARG 75 2HH1 ARG 75 21.765 28.297 -24.884 522 1HH2 ARG 75 1HH2 ARG 75 19.135 26.590 -26.430 523 2HH2 ARG 75 2HH2 ARG 75 19.562 27.866 -25.338 524 H GLN 76 H GLN 76 23.241 29.881 -30.657 525 HA GLN 76 HA GLN 76 26.148 29.901 -31.117 526 1HB GLN 76 2HB GLN 76 24.761 30.570 -33.056 527 2HB GLN 76 1HB GLN 76 25.819 31.860 -32.500 528 1HG GLN 76 1HG GLN 76 23.019 31.729 -31.490 529 2HG GLN 76 2HG GLN 76 24.080 33.124 -31.691 530 2HE2 GLN 76 1HE2 GLN 76 24.885 32.909 -34.261 531 1HE2 GLN 76 2HE2 GLN 76 23.536 33.050 -35.331 532 H ASP 77 H ASP 77 24.523 30.136 -28.585 533 HA ASP 77 HA ASP 77 25.189 32.848 -27.734 534 1HB ASP 77 1HB ASP 77 24.100 31.321 -25.588 535 2HB ASP 77 2HB ASP 77 23.365 32.663 -26.460 536 H GLY 78 H GLY 78 25.777 29.491 -26.738 537 1HA GLY 78 1HA GLY 78 28.189 29.002 -26.296 538 2HA GLY 78 2HA GLY 78 28.180 30.459 -25.317 539 H HIS 79 H HIS 79 25.579 28.093 -25.392 540 HA HIS 79 HA HIS 79 26.246 27.413 -22.603 541 1HB HIS 79 1HB HIS 79 23.499 27.293 -23.855 542 2HB HIS 79 2HB HIS 79 23.906 27.126 -22.152 543 HD1 HIS 79 HD1 HIS 79 23.066 29.619 -24.713 544 HD2 HIS 79 HD2 HIS 79 24.739 29.597 -20.911 545 HE1 HIS 79 HE1 HIS 79 22.945 31.999 -23.911 546 HE2 HIS 79 HE2 HIS 79 23.884 31.945 -21.574 547 H LEU 80 H LEU 80 26.962 25.418 -22.344 548 HA LEU 80 HA LEU 80 26.831 23.462 -24.404 549 1HB LEU 80 1HB LEU 80 27.827 23.508 -21.581 550 2HB LEU 80 2HB LEU 80 27.659 21.972 -22.408 551 HG LEU 80 HG LEU 80 29.136 22.904 -24.233 552 1HD1 LEU 80 1HD1 LEU 80 28.724 25.297 -22.944 553 2HD1 LEU 80 2HD1 LEU 80 30.354 24.848 -22.444 554 3HD1 LEU 80 3HD1 LEU 80 29.961 24.973 -24.159 555 1HD2 LEU 80 1HD2 LEU 80 30.111 22.471 -21.427 556 2HD2 LEU 80 2HD2 LEU 80 30.114 21.344 -22.783 557 3HD2 LEU 80 3HD2 LEU 80 31.220 22.718 -22.776 558 H TRP 81 H TRP 81 25.515 21.750 -24.674 559 HA TRP 81 HA TRP 81 23.558 21.113 -22.593 560 1HB TRP 81 2HB TRP 81 22.499 22.688 -24.203 561 2HB TRP 81 1HB TRP 81 21.718 21.110 -24.161 562 HD1 TRP 81 HD1 TRP 81 23.656 23.423 -26.449 563 HE1 TRP 81 HE1 TRP 81 23.629 22.469 -28.839 564 HE3 TRP 81 HE3 TRP 81 21.641 18.829 -25.460 565 HZ2 TRP 81 HZ2 TRP 81 22.848 20.080 -30.126 566 HZ3 TRP 81 HZ3 TRP 81 21.286 17.271 -27.329 567 HH2 TRP 81 HH2 TRP 81 21.880 17.884 -29.617 568 H CYS 82 H CYS 82 22.633 19.021 -22.774 569 HA CYS 82 HA CYS 82 23.940 17.202 -24.665 570 1HB CYS 82 1HB CYS 82 24.316 15.558 -22.887 571 2HB CYS 82 2HB CYS 82 25.182 17.054 -22.553 572 H SER 83 H SER 83 22.814 15.110 -24.850 573 HA SER 83 HA SER 83 19.941 15.538 -24.777 574 1HB SER 83 1HB SER 83 20.629 14.664 -26.846 575 2HB SER 83 2HB SER 83 21.722 13.502 -26.095 576 HG SER 83 HG SER 83 20.044 12.249 -26.524 577 H THR 84 H THR 84 18.472 14.269 -23.690 578 HA THR 84 HA THR 84 19.575 12.742 -21.447 579 HB THR 84 HB THR 84 17.451 12.985 -20.365 580 HG1 THR 84 HG1 THR 84 16.516 14.142 -22.801 581 1HG2 THR 84 1HG2 THR 84 18.914 14.951 -20.277 582 2HG2 THR 84 2HG2 THR 84 18.157 15.580 -21.741 583 3HG2 THR 84 3HG2 THR 84 17.214 15.421 -20.259 584 H THR 85 H THR 85 17.971 12.349 -24.431 585 HA THR 85 HA THR 85 17.580 9.488 -23.865 586 HB THR 85 HB THR 85 15.678 11.340 -25.302 587 HG1 THR 85 HG1 THR 85 15.706 10.663 -22.871 588 1HG2 THR 85 1HG2 THR 85 16.270 8.601 -25.914 589 2HG2 THR 85 2HG2 THR 85 14.632 8.725 -25.271 590 3HG2 THR 85 3HG2 THR 85 15.104 9.684 -26.674 591 H SER 86 H SER 86 18.504 8.168 -25.321 592 HA SER 86 HA SER 86 20.362 8.875 -27.147 593 1HB SER 86 1HB SER 86 20.036 6.555 -26.567 594 2HB SER 86 2HB SER 86 18.446 6.541 -27.329 595 HG SER 86 HG SER 86 20.018 5.632 -28.697 596 H ASN 87 H ASN 87 16.888 8.775 -27.683 597 HA ASN 87 HA ASN 87 17.276 9.713 -30.436 598 1HB ASN 87 1HB ASN 87 15.469 7.890 -29.290 599 2HB ASN 87 2HB ASN 87 14.511 9.308 -29.706 600 2HD2 ASN 87 1HD2 ASN 87 14.060 9.729 -31.793 601 1HD2 ASN 87 2HD2 ASN 87 14.571 8.743 -33.117 602 H TYR 88 H TYR 88 17.965 11.824 -29.557 603 HA TYR 88 HA TYR 88 16.057 13.458 -28.182 604 1HB TYR 88 1HB TYR 88 18.226 14.133 -27.722 605 2HB TYR 88 2HB TYR 88 18.764 13.892 -29.380 606 HD1 TYR 88 HD1 TYR 88 18.016 15.563 -31.140 607 HD2 TYR 88 HD2 TYR 88 17.550 16.257 -26.968 608 HE1 TYR 88 HE1 TYR 88 17.763 17.969 -31.575 609 HE2 TYR 88 HE2 TYR 88 17.295 18.667 -27.392 610 HH TYR 88 HH TYR 88 17.204 19.954 -30.684 611 H GLU 89 H GLU 89 16.564 12.572 -31.425 612 HA GLU 89 HA GLU 89 15.603 14.905 -32.718 613 1HB GLU 89 1HB GLU 89 15.958 12.040 -33.525 614 2HB GLU 89 2HB GLU 89 15.086 13.143 -34.581 615 1HG GLU 89 1HG GLU 89 17.343 14.567 -33.985 616 2HG GLU 89 2HG GLU 89 17.942 12.911 -34.053 617 H GLN 90 H GLN 90 14.059 12.331 -31.036 618 HA GLN 90 HA GLN 90 11.439 13.219 -32.041 619 1HB GLN 90 2HB GLN 90 12.048 10.825 -32.472 620 2HB GLN 90 1HB GLN 90 10.559 11.052 -31.562 621 1HG GLN 90 2HG GLN 90 13.024 10.744 -29.985 622 2HG GLN 90 1HG GLN 90 12.474 9.319 -30.866 623 2HE2 GLN 90 1HE2 GLN 90 12.583 9.880 -27.981 624 1HE2 GLN 90 2HE2 GLN 90 10.974 9.641 -27.399 625 H ASP 91 H ASP 91 13.318 12.409 -29.185 626 HA ASP 91 HA ASP 91 11.197 12.892 -27.331 627 1HB ASP 91 1HB ASP 91 13.641 11.673 -27.164 628 2HB ASP 91 2HB ASP 91 13.948 13.194 -26.330 629 H GLN 92 H GLN 92 14.151 14.719 -28.143 630 HA GLN 92 HA GLN 92 14.484 16.982 -28.294 631 1HB GLN 92 1HB GLN 92 11.809 16.841 -28.700 632 2HB GLN 92 2HB GLN 92 11.850 17.761 -27.203 633 1HG GLN 92 1HG GLN 92 12.473 19.605 -28.258 634 2HG GLN 92 2HG GLN 92 13.779 18.767 -29.095 635 2HE2 GLN 92 1HE2 GLN 92 13.155 17.501 -31.006 636 1HE2 GLN 92 2HE2 GLN 92 11.886 18.102 -32.012 637 H LYS 93 H LYS 93 14.328 15.178 -25.735 638 HA LYS 93 HA LYS 93 14.197 17.227 -23.675 639 1HB LYS 93 1HB LYS 93 14.528 14.238 -23.633 640 2HB LYS 93 2HB LYS 93 14.820 15.204 -22.193 641 1HG LYS 93 1HG LYS 93 12.497 14.147 -22.548 642 2HG LYS 93 2HG LYS 93 12.602 15.818 -21.992 643 1HD LYS 93 1HD LYS 93 11.999 16.677 -24.075 644 2HD LYS 93 2HD LYS 93 12.406 15.180 -24.913 645 1HE LYS 93 1HE LYS 93 10.260 15.088 -22.862 646 2HE LYS 93 2HE LYS 93 9.896 15.870 -24.400 647 1HZ LYS 93 1HZ LYS 93 10.814 13.759 -25.443 648 2HZ LYS 93 2HZ LYS 93 10.675 13.062 -23.909 649 3HZ LYS 93 3HZ LYS 93 9.299 13.651 -24.696 650 H TYR 94 H TYR 94 15.930 18.532 -23.686 651 HA TYR 94 HA TYR 94 18.585 17.254 -23.595 652 1HB TYR 94 1HB TYR 94 19.528 18.999 -24.852 653 2HB TYR 94 2HB TYR 94 18.007 18.661 -25.667 654 HD1 TYR 94 HD1 TYR 94 19.403 20.892 -23.014 655 HD2 TYR 94 HD2 TYR 94 16.622 20.436 -26.202 656 HE1 TYR 94 HE1 TYR 94 18.765 23.256 -22.788 657 HE2 TYR 94 HE2 TYR 94 15.977 22.800 -25.985 658 HH TYR 94 HH TYR 94 17.441 25.016 -24.904 659 H SER 95 H SER 95 20.229 18.444 -22.396 660 HA SER 95 HA SER 95 19.182 20.271 -20.356 661 1HB SER 95 1HB SER 95 21.074 18.657 -19.033 662 2HB SER 95 2HB SER 95 19.334 18.707 -18.756 663 HG SER 95 HG SER 95 19.060 16.989 -20.072 664 H PHE 96 H PHE 96 20.607 21.836 -19.699 665 HA PHE 96 HA PHE 96 22.843 22.340 -21.390 666 1HB PHE 96 1HB PHE 96 21.711 23.715 -18.967 667 2HB PHE 96 2HB PHE 96 23.222 24.249 -19.696 668 HD1 PHE 96 HD1 PHE 96 22.819 24.097 -22.507 669 HD2 PHE 96 HD2 PHE 96 20.037 25.198 -19.480 670 HE1 PHE 96 HE1 PHE 96 21.557 25.421 -24.153 671 HE2 PHE 96 HE2 PHE 96 18.769 26.522 -21.121 672 HZ PHE 96 HZ PHE 96 19.528 26.635 -23.461 673 H CYS 97 H CYS 97 24.944 23.167 -20.172 674 HA CYS 97 HA CYS 97 25.725 21.428 -17.985 675 1HB CYS 97 1HB CYS 97 27.286 21.345 -20.570 676 2HB CYS 97 2HB CYS 97 27.564 20.384 -19.122 677 H THR 98 H THR 98 27.252 22.339 -16.711 678 HA THR 98 HA THR 98 27.960 25.059 -17.165 679 HB THR 98 HB THR 98 28.923 25.044 -15.036 680 HG1 THR 98 HG1 THR 98 29.325 22.276 -15.492 681 1HG2 THR 98 1HG2 THR 98 26.518 24.616 -14.946 682 2HG2 THR 98 2HG2 THR 98 26.823 22.880 -14.991 683 3HG2 THR 98 3HG2 THR 98 27.350 23.832 -13.603 684 H ASP 99 H ASP 99 29.693 21.992 -17.307 685 HA ASP 99 HA ASP 99 31.551 21.430 -18.540 686 1HB ASP 99 1HB ASP 99 30.786 23.549 -19.931 687 2HB ASP 99 2HB ASP 99 32.196 24.281 -19.170 688 H HIS 100 H HIS 100 31.973 24.552 -16.869 689 HA HIS 100 HA HIS 100 34.615 23.808 -15.966 690 1HB HIS 100 1HB HIS 100 33.013 26.244 -16.091 691 2HB HIS 100 2HB HIS 100 33.889 26.091 -14.572 692 HD1 HIS 100 HD1 HIS 100 36.542 25.843 -14.799 693 HD2 HIS 100 HD2 HIS 100 34.525 27.022 -18.234 694 HE1 HIS 100 HE1 HIS 100 38.306 26.782 -16.325 695 HE2 HIS 100 HE2 HIS 100 37.050 27.566 -18.363 696 H THR 101 H THR 101 35.118 24.230 -13.572 697 HA THR 101 HA THR 101 32.999 23.056 -11.893 698 HB THR 101 HB THR 101 34.786 21.403 -12.401 699 HG1 THR 101 HG1 THR 101 34.312 20.693 -10.471 700 1HG2 THR 101 1HG2 THR 101 36.595 23.226 -12.451 701 2HG2 THR 101 2HG2 THR 101 36.621 23.063 -10.695 702 3HG2 THR 101 3HG2 THR 101 37.012 21.678 -11.717 No H/Q in entry = 702 Start of MODEL 34 1 H1 TYR 1 H1 TYR 1 45.034 7.678 -48.005 2 H2 TYR 1 H2 TYR 1 45.252 6.161 -48.722 3 H3 TYR 1 H3 TYR 1 44.222 7.295 -49.439 4 HA TYR 1 HA TYR 1 42.516 6.510 -48.317 5 1HB TYR 1 1HB TYR 1 44.212 4.479 -48.340 6 2HB TYR 1 2HB TYR 1 44.229 4.756 -46.602 7 HD1 TYR 1 HD1 TYR 1 41.248 5.708 -46.566 8 HD2 TYR 1 HD2 TYR 1 43.218 2.283 -48.144 9 HE1 TYR 1 HE1 TYR 1 39.169 4.414 -46.336 10 HE2 TYR 1 HE2 TYR 1 41.144 0.980 -47.920 11 HH TYR 1 HH TYR 1 38.929 1.322 -46.218 12 H GLY 2 H GLY 2 45.085 6.460 -45.831 13 1HA GLY 2 1HA GLY 2 45.184 8.214 -44.152 14 2HA GLY 2 2HA GLY 2 43.432 8.318 -44.243 15 H HIS 3 H HIS 3 46.109 6.823 -42.736 16 HA HIS 3 HA HIS 3 44.282 5.122 -41.175 17 1HB HIS 3 1HB HIS 3 46.897 4.537 -42.421 18 2HB HIS 3 2HB HIS 3 46.686 3.936 -40.781 19 HD1 HIS 3 HD1 HIS 3 45.872 3.195 -44.259 20 HD2 HIS 3 HD2 HIS 3 44.401 2.139 -40.519 21 HE1 HIS 3 HE1 HIS 3 44.453 1.156 -44.646 22 HE2 HIS 3 HE2 HIS 3 43.659 0.475 -42.353 23 H CYS 4 H CYS 4 44.212 5.507 -39.054 24 HA CYS 4 HA CYS 4 46.246 7.301 -37.915 25 1HB CYS 4 1HB CYS 4 44.332 7.397 -36.051 26 2HB CYS 4 2HB CYS 4 44.312 8.424 -37.474 27 H VAL 5 H VAL 5 46.804 6.942 -35.621 28 HA VAL 5 HA VAL 5 46.486 4.193 -34.683 29 HB VAL 5 HB VAL 5 49.253 5.284 -34.559 30 1HG1 VAL 5 1HG1 VAL 5 47.947 2.589 -34.667 31 2HG1 VAL 5 2HG1 VAL 5 49.671 2.779 -34.984 32 3HG1 VAL 5 3HG1 VAL 5 49.002 3.266 -33.427 33 1HG2 VAL 5 1HG2 VAL 5 48.493 5.611 -36.921 34 2HG2 VAL 5 2HG2 VAL 5 49.851 4.503 -36.735 35 3HG2 VAL 5 3HG2 VAL 5 48.230 3.870 -37.016 36 H THR 6 H THR 6 46.926 3.920 -32.447 37 HA THR 6 HA THR 6 46.780 6.436 -30.940 38 HB THR 6 HB THR 6 45.803 5.192 -29.132 39 HG1 THR 6 HG1 THR 6 45.544 2.905 -29.315 40 1HG2 THR 6 1HG2 THR 6 44.698 5.073 -31.824 41 2HG2 THR 6 2HG2 THR 6 44.054 3.817 -30.767 42 3HG2 THR 6 3HG2 THR 6 43.920 5.512 -30.304 43 H ASP 7 H ASP 7 47.906 3.216 -29.972 44 HA ASP 7 HA ASP 7 50.371 4.474 -28.965 45 1HB ASP 7 1HB ASP 7 48.636 2.282 -27.918 46 2HB ASP 7 2HB ASP 7 50.360 2.236 -27.559 47 H SER 8 H SER 8 49.487 2.993 -31.590 48 HA SER 8 HA SER 8 50.839 2.062 -33.223 49 1HB SER 8 1HB SER 8 53.053 1.729 -32.865 50 2HB SER 8 2HB SER 8 52.742 2.532 -31.325 51 HG SER 8 HG SER 8 53.848 0.505 -31.119 52 H GLY 9 H GLY 9 48.846 0.839 -31.194 53 1HA GLY 9 1HA GLY 9 49.370 -1.976 -31.928 54 2HA GLY 9 2HA GLY 9 48.572 -1.499 -30.436 55 H VAL 10 H VAL 10 47.282 0.666 -32.303 56 HA VAL 10 HA VAL 10 45.273 -1.094 -33.535 57 HB VAL 10 HB VAL 10 44.082 1.359 -32.551 58 1HG1 VAL 10 1HG1 VAL 10 42.875 -0.629 -33.357 59 2HG1 VAL 10 2HG1 VAL 10 43.478 -1.539 -31.972 60 3HG1 VAL 10 3HG1 VAL 10 42.395 -0.171 -31.723 61 1HG2 VAL 10 1HG2 VAL 10 45.464 -0.424 -30.564 62 2HG2 VAL 10 2HG2 VAL 10 45.534 1.332 -30.700 63 3HG2 VAL 10 3HG2 VAL 10 44.058 0.549 -30.133 64 H VAL 11 H VAL 11 45.891 -0.711 -35.611 65 HA VAL 11 HA VAL 11 46.498 1.899 -36.606 66 HB VAL 11 HB VAL 11 45.946 -0.684 -38.069 67 1HG1 VAL 11 1HG1 VAL 11 46.209 2.029 -39.040 68 2HG1 VAL 11 2HG1 VAL 11 47.455 0.974 -39.705 69 3HG1 VAL 11 3HG1 VAL 11 45.753 0.560 -39.905 70 1HG2 VAL 11 1HG2 VAL 11 48.298 0.474 -36.777 71 2HG2 VAL 11 2HG2 VAL 11 47.968 -1.193 -37.252 72 3HG2 VAL 11 3HG2 VAL 11 48.579 -0.042 -38.440 73 H TYR 12 H TYR 12 44.555 3.010 -35.924 74 HA TYR 12 HA TYR 12 41.982 2.369 -36.877 75 1HB TYR 12 1HB TYR 12 43.221 4.932 -35.889 76 2HB TYR 12 2HB TYR 12 41.534 4.838 -36.379 77 HD1 TYR 12 HD1 TYR 12 42.047 1.721 -35.141 78 HD2 TYR 12 HD2 TYR 12 41.868 5.744 -33.779 79 HE1 TYR 12 HE1 TYR 12 41.445 0.921 -32.897 80 HE2 TYR 12 HE2 TYR 12 41.268 4.949 -31.521 81 HH TYR 12 HH TYR 12 41.656 1.836 -30.499 82 H SER 13 H SER 13 40.851 4.377 -38.166 83 HA SER 13 HA SER 13 42.462 4.889 -40.565 84 1HB SER 13 1HB SER 13 39.837 3.471 -40.389 85 2HB SER 13 2HB SER 13 40.161 4.484 -41.796 86 HG SER 13 HG SER 13 40.811 2.240 -42.002 87 H VAL 14 H VAL 14 41.866 6.702 -41.784 88 HA VAL 14 HA VAL 14 41.264 9.004 -40.467 89 HB VAL 14 HB VAL 14 42.126 9.233 -42.639 90 1HG1 VAL 14 1HG1 VAL 14 40.223 7.155 -43.273 91 2HG1 VAL 14 2HG1 VAL 14 40.186 8.450 -44.469 92 3HG1 VAL 14 3HG1 VAL 14 41.702 7.622 -44.112 93 1HG2 VAL 14 1HG2 VAL 14 39.764 10.556 -41.932 94 2HG2 VAL 14 2HG2 VAL 14 40.974 11.078 -43.103 95 3HG2 VAL 14 3HG2 VAL 14 39.581 10.135 -43.635 96 H GLY 15 H GLY 15 39.549 8.674 -39.001 97 1HA GLY 15 1HA GLY 15 37.298 9.648 -38.829 98 2HA GLY 15 2HA GLY 15 36.883 8.723 -40.260 99 H MET 16 H MET 16 38.760 7.511 -37.534 100 HA MET 16 HA MET 16 36.585 5.598 -37.021 101 1HB MET 16 1HB MET 16 39.519 5.365 -37.093 102 2HB MET 16 2HB MET 16 38.754 4.548 -35.737 103 1HG MET 16 1HG MET 16 37.375 4.032 -38.229 104 2HG MET 16 2HG MET 16 39.073 3.563 -38.298 105 1HE MET 16 1HE MET 16 40.199 2.407 -36.308 106 2HE MET 16 2HE MET 16 39.505 0.944 -35.610 107 3HE MET 16 3HE MET 16 39.803 1.038 -37.347 108 H GLN 17 H GLN 17 36.430 8.161 -35.949 109 HA GLN 17 HA GLN 17 37.283 9.061 -33.678 110 1HB GLN 17 1HB GLN 17 34.511 8.604 -34.587 111 2HB GLN 17 2HB GLN 17 34.698 8.986 -32.881 112 1HG GLN 17 1HG GLN 17 36.208 10.920 -33.823 113 2HG GLN 17 2HG GLN 17 35.243 10.658 -35.274 114 2HE2 GLN 17 1HE2 GLN 17 32.798 10.083 -34.284 115 1HE2 GLN 17 2HE2 GLN 17 32.169 11.429 -33.405 116 H TRP 18 H TRP 18 37.722 8.513 -31.629 117 HA TRP 18 HA TRP 18 36.437 6.191 -30.435 118 1HB TRP 18 1HB TRP 18 38.503 5.100 -29.837 119 2HB TRP 18 2HB TRP 18 38.459 5.324 -31.582 120 HD1 TRP 18 HD1 TRP 18 40.404 6.323 -28.484 121 HE1 TRP 18 HE1 TRP 18 42.519 7.592 -29.197 122 HE3 TRP 18 HE3 TRP 18 39.355 6.934 -33.452 123 HZ2 TRP 18 HZ2 TRP 18 43.607 8.709 -31.557 124 HZ3 TRP 18 HZ3 TRP 18 40.981 8.111 -34.864 125 HH2 TRP 18 HH2 TRP 18 43.063 8.976 -33.938 126 H LEU 19 H LEU 19 37.861 5.900 -28.170 127 HA LEU 19 HA LEU 19 38.182 8.533 -26.955 128 1HB LEU 19 1HB LEU 19 35.805 7.869 -26.661 129 2HB LEU 19 2HB LEU 19 36.341 6.428 -25.817 130 HG LEU 19 HG LEU 19 37.565 8.221 -24.282 131 1HD1 LEU 19 1HD1 LEU 19 36.144 9.884 -25.988 132 2HD1 LEU 19 2HD1 LEU 19 35.188 9.851 -24.507 133 3HD1 LEU 19 3HD1 LEU 19 36.884 10.329 -24.451 134 1HD2 LEU 19 1HD2 LEU 19 34.646 7.476 -24.143 135 2HD2 LEU 19 2HD2 LEU 19 36.005 6.580 -23.462 136 3HD2 LEU 19 3HD2 LEU 19 35.576 8.162 -22.810 137 H LYS 20 H LYS 20 39.630 8.581 -25.299 138 HA LYS 20 HA LYS 20 40.860 6.003 -24.568 139 1HB LYS 20 1HB LYS 20 42.299 7.377 -26.026 140 2HB LYS 20 2HB LYS 20 42.224 8.684 -24.853 141 1HG LYS 20 1HG LYS 20 43.295 7.193 -23.193 142 2HG LYS 20 2HG LYS 20 43.463 5.971 -24.455 143 1HD LYS 20 1HD LYS 20 45.501 6.968 -24.660 144 2HD LYS 20 2HD LYS 20 44.576 8.014 -25.740 145 1HE LYS 20 1HE LYS 20 44.224 9.584 -23.874 146 2HE LYS 20 2HE LYS 20 45.211 8.553 -22.839 147 1HZ LYS 20 1HZ LYS 20 46.735 9.022 -25.082 148 2HZ LYS 20 2HZ LYS 20 46.032 10.517 -24.719 149 3HZ LYS 20 3HZ LYS 20 46.948 9.707 -23.551 150 H THR 21 H THR 21 41.655 5.768 -22.451 151 HA THR 21 HA THR 21 40.803 7.812 -20.515 152 HB THR 21 HB THR 21 40.542 4.921 -19.793 153 HG1 THR 21 HG1 THR 21 38.967 6.308 -21.610 154 1HG2 THR 21 1HG2 THR 21 40.314 6.977 -18.226 155 2HG2 THR 21 2HG2 THR 21 38.736 7.172 -18.989 156 3HG2 THR 21 3HG2 THR 21 39.118 5.685 -18.122 157 H GLN 22 H GLN 22 42.008 7.883 -18.580 158 HA GLN 22 HA GLN 22 44.636 6.582 -18.791 159 1HB GLN 22 1HB GLN 22 43.739 9.179 -17.582 160 2HB GLN 22 2HB GLN 22 45.241 8.426 -17.065 161 1HG GLN 22 1HG GLN 22 44.922 8.636 -19.968 162 2HG GLN 22 2HG GLN 22 45.004 10.179 -19.119 163 2HE2 GLN 22 1HE2 GLN 22 46.841 8.298 -20.832 164 1HE2 GLN 22 2HE2 GLN 22 48.358 8.430 -20.014 165 H GLY 23 H GLY 23 41.757 6.608 -16.999 166 1HA GLY 23 1HA GLY 23 41.683 4.587 -15.485 167 2HA GLY 23 2HA GLY 23 43.098 5.292 -14.721 168 H ASN 24 H ASN 24 42.231 7.999 -14.781 169 HA ASN 24 HA ASN 24 39.904 7.902 -12.980 170 1HB ASN 24 1HB ASN 24 42.542 8.560 -12.271 171 2HB ASN 24 2HB ASN 24 41.675 10.090 -12.337 172 2HD2 ASN 24 1HD2 ASN 24 41.505 10.520 -10.214 173 1HD2 ASN 24 2HD2 ASN 24 40.659 9.528 -9.081 174 H LYS 25 H LYS 25 41.129 9.093 -15.820 175 HA LYS 25 HA LYS 25 39.226 11.339 -15.777 176 1HB LYS 25 2HB LYS 25 40.691 12.762 -16.895 177 2HB LYS 25 1HB LYS 25 41.695 11.439 -17.473 178 1HG LYS 25 1HG LYS 25 42.077 13.081 -15.206 179 2HG LYS 25 2HG LYS 25 41.770 11.440 -14.633 180 1HD LYS 25 1HD LYS 25 43.543 11.400 -16.899 181 2HD LYS 25 2HD LYS 25 44.169 12.475 -15.647 182 1HE LYS 25 1HE LYS 25 43.182 9.713 -15.011 183 2HE LYS 25 2HE LYS 25 44.836 10.003 -15.548 184 1HZ LYS 25 1HZ LYS 25 43.953 11.727 -13.406 185 2HZ LYS 25 2HZ LYS 25 44.024 10.088 -12.991 186 3HZ LYS 25 3HZ LYS 25 45.401 10.872 -13.581 187 H GLN 26 H GLN 26 39.049 12.100 -18.278 188 HA GLN 26 HA GLN 26 38.786 9.749 -19.995 189 1HB GLN 26 1HB GLN 26 36.582 11.084 -18.704 190 2HB GLN 26 2HB GLN 26 36.450 11.252 -20.449 191 1HG GLN 26 1HG GLN 26 36.776 8.758 -20.594 192 2HG GLN 26 2HG GLN 26 36.580 8.718 -18.843 193 2HE2 GLN 26 1HE2 GLN 26 34.708 7.513 -18.924 194 1HE2 GLN 26 2HE2 GLN 26 33.205 8.158 -19.482 195 H MET 27 H MET 27 38.973 10.171 -22.164 196 HA MET 27 HA MET 27 38.921 12.895 -23.145 197 1HB MET 27 1HB MET 27 41.209 12.692 -22.272 198 2HB MET 27 2HB MET 27 41.460 11.256 -23.255 199 1HG MET 27 1HG MET 27 40.574 13.567 -24.792 200 2HG MET 27 2HG MET 27 42.107 13.819 -23.959 201 1HE MET 27 1HE MET 27 44.057 13.470 -24.789 202 2HE MET 27 2HE MET 27 44.363 11.751 -24.544 203 3HE MET 27 3HE MET 27 44.578 12.465 -26.142 204 H LEU 28 H LEU 28 38.224 12.953 -25.202 205 HA LEU 28 HA LEU 28 37.951 10.389 -26.600 206 1HB LEU 28 1HB LEU 28 35.907 11.730 -26.203 207 2HB LEU 28 2HB LEU 28 36.595 13.028 -27.159 208 HG LEU 28 HG LEU 28 36.715 10.748 -28.791 209 1HD1 LEU 28 1HD1 LEU 28 34.145 10.934 -27.252 210 2HD1 LEU 28 2HD1 LEU 28 34.237 10.210 -28.856 211 3HD1 LEU 28 3HD1 LEU 28 35.162 9.519 -27.524 212 1HD2 LEU 28 1HD2 LEU 28 36.029 13.357 -29.022 213 2HD2 LEU 28 2HD2 LEU 28 35.762 12.143 -30.273 214 3HD2 LEU 28 3HD2 LEU 28 34.453 12.580 -29.175 215 H CYS 29 H CYS 29 39.179 9.933 -28.296 216 HA CYS 29 HA CYS 29 40.703 12.121 -29.539 217 1HB CYS 29 1HB CYS 29 41.316 9.285 -28.917 218 2HB CYS 29 2HB CYS 29 41.996 9.933 -30.404 219 H THR 30 H THR 30 40.983 12.146 -31.816 220 HA THR 30 HA THR 30 39.369 10.352 -33.434 221 HB THR 30 HB THR 30 38.848 13.329 -33.487 222 HG1 THR 30 HG1 THR 30 37.105 12.901 -32.333 223 1HG2 THR 30 1HG2 THR 30 37.730 11.059 -35.136 224 2HG2 THR 30 2HG2 THR 30 37.072 12.694 -35.116 225 3HG2 THR 30 3HG2 THR 30 38.708 12.411 -35.711 226 H CYS 31 H CYS 31 40.188 10.061 -35.430 227 HA CYS 31 HA CYS 31 42.509 11.707 -36.155 228 1HB CYS 31 1HB CYS 31 43.165 9.846 -37.622 229 2HB CYS 31 2HB CYS 31 43.009 9.330 -35.947 230 H LEU 32 H LEU 32 42.019 13.281 -37.493 231 HA LEU 32 HA LEU 32 39.727 13.151 -39.225 232 1HB LEU 32 1HB LEU 32 41.028 15.391 -40.032 233 2HB LEU 32 2HB LEU 32 39.883 15.326 -38.706 234 HG LEU 32 HG LEU 32 42.780 14.841 -38.155 235 1HD1 LEU 32 1HD1 LEU 32 41.632 17.311 -39.178 236 2HD1 LEU 32 2HD1 LEU 32 42.428 17.507 -37.616 237 3HD1 LEU 32 3HD1 LEU 32 43.318 16.836 -38.981 238 1HD2 LEU 32 1HD2 LEU 32 40.610 14.755 -36.571 239 2HD2 LEU 32 2HD2 LEU 32 42.216 15.205 -35.999 240 3HD2 LEU 32 3HD2 LEU 32 41.042 16.457 -36.403 241 H GLY 33 H GLY 33 42.709 14.552 -40.416 242 1HA GLY 33 1HA GLY 33 43.039 12.359 -42.327 243 2HA GLY 33 2HA GLY 33 42.677 13.948 -42.976 244 H ASN 34 H ASN 34 44.223 15.461 -41.126 245 HA ASN 34 HA ASN 34 46.869 14.891 -42.219 246 1HB ASN 34 1HB ASN 34 47.367 17.137 -41.971 247 2HB ASN 34 2HB ASN 34 45.630 17.203 -42.247 248 2HD2 ASN 34 1HD2 ASN 34 48.019 18.437 -40.434 249 1HD2 ASN 34 2HD2 ASN 34 47.137 18.868 -39.013 250 H GLY 35 H GLY 35 45.130 14.620 -39.290 251 1HA GLY 35 1HA GLY 35 47.352 13.408 -37.969 252 2HA GLY 35 2HA GLY 35 47.018 15.006 -37.319 253 H VAL 36 H VAL 36 46.468 14.116 -35.296 254 HA VAL 36 HA VAL 36 43.768 12.972 -35.251 255 HB VAL 36 HB VAL 36 46.226 11.748 -34.183 256 1HG1 VAL 36 1HG1 VAL 36 43.826 12.129 -32.440 257 2HG1 VAL 36 2HG1 VAL 36 44.767 10.640 -32.335 258 3HG1 VAL 36 3HG1 VAL 36 45.538 12.196 -32.019 259 1HG2 VAL 36 1HG2 VAL 36 44.753 10.794 -35.927 260 2HG2 VAL 36 2HG2 VAL 36 45.012 9.725 -34.547 261 3HG2 VAL 36 3HG2 VAL 36 43.496 10.614 -34.704 262 H SER 37 H SER 37 42.436 14.099 -34.026 263 HA SER 37 HA SER 37 43.565 15.846 -31.940 264 1HB SER 37 1HB SER 37 42.568 17.175 -33.700 265 2HB SER 37 2HB SER 37 41.090 16.215 -33.643 266 HG SER 37 HG SER 37 40.913 18.202 -32.493 267 H CYS 38 H CYS 38 42.374 16.079 -29.981 268 HA CYS 38 HA CYS 38 40.235 14.141 -29.517 269 1HB CYS 38 1HB CYS 38 42.461 14.337 -27.521 270 2HB CYS 38 2HB CYS 38 41.280 13.055 -27.733 271 H GLN 39 H GLN 39 39.488 14.407 -27.105 272 HA GLN 39 HA GLN 39 39.441 17.277 -26.454 273 1HB GLN 39 1HB GLN 39 37.213 15.428 -26.994 274 2HB GLN 39 2HB GLN 39 37.021 16.408 -25.546 275 1HG GLN 39 1HG GLN 39 37.419 17.367 -28.365 276 2HG GLN 39 2HG GLN 39 35.987 17.551 -27.354 277 2HE2 GLN 39 1HE2 GLN 39 37.577 18.161 -24.979 278 1HE2 GLN 39 2HE2 GLN 39 38.128 19.786 -25.180 279 H GLU 40 H GLU 40 40.766 17.276 -24.714 280 HA GLU 40 HA GLU 40 40.967 15.249 -22.788 281 1HB GLU 40 1HB GLU 40 41.736 18.145 -22.857 282 2HB GLU 40 2HB GLU 40 41.882 17.240 -21.356 283 1HG GLU 40 1HG GLU 40 43.151 15.540 -22.936 284 2HG GLU 40 2HG GLU 40 43.421 17.006 -23.878 285 H THR 41 H THR 41 39.250 14.554 -21.692 286 HA THR 41 HA THR 41 37.697 14.524 -20.019 287 HB THR 41 HB THR 41 38.207 17.493 -19.859 288 HG1 THR 41 HG1 THR 41 38.853 15.275 -18.194 289 1HG2 THR 41 1HG2 THR 41 36.208 15.769 -18.452 290 2HG2 THR 41 2HG2 THR 41 36.901 17.177 -17.650 291 3HG2 THR 41 3HG2 THR 41 35.999 17.374 -19.153 292 H ALA 42 H ALA 42 37.376 16.791 -22.666 293 HA ALA 42 HA ALA 42 35.601 17.409 -23.946 294 1HB ALA 42 1HB ALA 42 35.057 14.657 -23.118 295 2HB ALA 42 2HB ALA 42 33.619 15.564 -23.588 296 3HB ALA 42 3HB ALA 42 34.968 15.403 -24.714 297 H VAL 43 H VAL 43 34.930 19.277 -22.986 298 HA VAL 43 HA VAL 43 33.024 19.100 -20.767 299 HB VAL 43 HB VAL 43 33.424 21.430 -20.362 300 1HG1 VAL 43 1HG1 VAL 43 35.112 19.719 -19.602 301 2HG1 VAL 43 2HG1 VAL 43 36.111 20.217 -20.967 302 3HG1 VAL 43 3HG1 VAL 43 35.703 21.378 -19.704 303 1HG2 VAL 43 1HG2 VAL 43 34.741 21.338 -23.042 304 2HG2 VAL 43 2HG2 VAL 43 33.578 22.500 -22.401 305 3HG2 VAL 43 3HG2 VAL 43 35.255 22.535 -21.854 306 H THR 44 H THR 44 31.456 21.160 -20.904 307 HA THR 44 HA THR 44 30.412 21.666 -23.540 308 HB THR 44 HB THR 44 28.063 20.814 -22.515 309 HG1 THR 44 HG1 THR 44 30.058 19.016 -21.552 310 1HG2 THR 44 1HG2 THR 44 30.091 19.584 -24.300 311 2HG2 THR 44 2HG2 THR 44 28.743 18.571 -23.785 312 3HG2 THR 44 3HG2 THR 44 28.433 20.080 -24.643 313 H GLN 45 H GLN 45 29.691 23.692 -23.534 314 HA GLN 45 HA GLN 45 28.476 24.752 -21.076 315 1HB GLN 45 2HB GLN 45 29.830 26.591 -20.982 316 2HB GLN 45 1HB GLN 45 30.101 26.617 -22.718 317 1HG GLN 45 1HG GLN 45 31.316 24.560 -20.897 318 2HG GLN 45 2HG GLN 45 31.728 24.899 -22.578 319 2HE2 GLN 45 1HE2 GLN 45 33.375 24.902 -20.137 320 1HE2 GLN 45 2HE2 GLN 45 34.104 26.467 -20.073 321 H THR 46 H THR 46 26.771 23.877 -22.837 322 HA THR 46 HA THR 46 26.095 25.385 -25.061 323 HB THR 46 HB THR 46 23.859 24.508 -24.875 324 HG1 THR 46 HG1 THR 46 24.578 24.074 -22.164 325 1HG2 THR 46 1HG2 THR 46 25.891 22.958 -25.281 326 2HG2 THR 46 2HG2 THR 46 25.542 22.342 -23.666 327 3HG2 THR 46 3HG2 THR 46 24.324 22.226 -24.937 328 H TYR 47 H TYR 47 25.169 27.327 -25.394 329 HA TYR 47 HA TYR 47 24.261 28.812 -23.017 330 1HB TYR 47 1HB TYR 47 24.878 30.831 -24.615 331 2HB TYR 47 2HB TYR 47 26.097 30.048 -23.616 332 HD1 TYR 47 HD1 TYR 47 24.599 29.864 -27.029 333 HD2 TYR 47 HD2 TYR 47 28.052 29.292 -24.610 334 HE1 TYR 47 HE1 TYR 47 25.923 29.381 -29.043 335 HE2 TYR 47 HE2 TYR 47 29.387 28.809 -26.619 336 HH TYR 47 HH TYR 47 29.207 28.216 -28.851 337 H GLY 48 H GLY 48 23.650 28.054 -26.388 338 1HA GLY 48 1HA GLY 48 20.856 28.622 -26.051 339 2HA GLY 48 2HA GLY 48 21.663 29.802 -27.072 340 H GLY 49 H GLY 49 22.084 29.310 -29.167 341 1HA GLY 49 1HA GLY 49 22.271 28.030 -31.091 342 2HA GLY 49 2HA GLY 49 22.112 26.584 -30.104 343 H ASN 50 H ASN 50 20.529 25.453 -31.065 344 HA ASN 50 HA ASN 50 18.136 26.815 -32.012 345 1HB ASN 50 1HB ASN 50 19.478 24.763 -33.091 346 2HB ASN 50 2HB ASN 50 18.350 23.848 -32.095 347 2HD2 ASN 50 1HD2 ASN 50 18.768 25.751 -34.907 348 1HD2 ASN 50 2HD2 ASN 50 17.148 25.642 -35.497 349 H SER 51 H SER 51 19.184 25.630 -29.121 350 HA SER 51 HA SER 51 16.466 24.877 -28.279 351 1HB SER 51 1HB SER 51 19.068 23.678 -27.752 352 2HB SER 51 2HB SER 51 18.185 24.030 -26.267 353 HG SER 51 HG SER 51 16.962 22.717 -28.447 354 H ASN 52 H ASN 52 19.223 25.683 -26.247 355 HA ASN 52 HA ASN 52 18.714 28.345 -25.706 356 1HB ASN 52 1HB ASN 52 16.529 27.019 -24.871 357 2HB ASN 52 2HB ASN 52 17.516 26.876 -23.421 358 2HD2 ASN 52 1HD2 ASN 52 15.043 28.368 -23.914 359 1HD2 ASN 52 2HD2 ASN 52 15.397 30.011 -23.511 360 H GLY 53 H GLY 53 19.685 25.214 -24.497 361 1HA GLY 53 1HA GLY 53 22.159 25.288 -23.902 362 2HA GLY 53 2HA GLY 53 21.670 26.522 -22.752 363 H GLU 54 H GLU 54 20.616 23.241 -23.681 364 HA GLU 54 HA GLU 54 20.361 22.633 -20.814 365 1HB GLU 54 1HB GLU 54 18.425 21.577 -21.239 366 2HB GLU 54 2HB GLU 54 18.468 22.390 -22.795 367 1HG GLU 54 1HG GLU 54 19.439 20.459 -23.838 368 2HG GLU 54 2HG GLU 54 19.595 19.648 -22.280 369 HA PRO 55 HA PRO 55 23.447 19.517 -20.835 370 1HB PRO 55 2HB PRO 55 22.963 18.051 -19.149 371 2HB PRO 55 1HB PRO 55 21.490 17.483 -19.941 372 1HG PRO 55 1HG PRO 55 20.546 18.746 -18.241 373 2HG PRO 55 2HG PRO 55 21.908 19.880 -18.203 374 1HD PRO 55 2HD PRO 55 20.397 21.174 -19.385 375 2HD PRO 55 1HD PRO 55 19.594 19.756 -20.095 376 H CYS 56 H CYS 56 24.041 19.003 -22.882 377 HA CYS 56 HA CYS 56 22.631 18.016 -24.963 378 1HB CYS 56 1HB CYS 56 25.387 16.981 -24.295 379 2HB CYS 56 2HB CYS 56 24.671 17.171 -25.892 380 H VAL 57 H VAL 57 22.670 15.783 -25.943 381 HA VAL 57 HA VAL 57 22.200 13.751 -23.860 382 HB VAL 57 HB VAL 57 20.099 14.575 -24.932 383 1HG1 VAL 57 1HG1 VAL 57 21.571 14.416 -27.268 384 2HG1 VAL 57 2HG1 VAL 57 20.446 13.063 -27.380 385 3HG1 VAL 57 3HG1 VAL 57 19.837 14.697 -27.137 386 1HG2 VAL 57 1HG2 VAL 57 20.988 11.869 -24.570 387 2HG2 VAL 57 2HG2 VAL 57 19.395 12.570 -24.277 388 3HG2 VAL 57 3HG2 VAL 57 19.804 11.946 -25.876 389 H LEU 58 H LEU 58 24.587 13.432 -24.430 390 HA LEU 58 HA LEU 58 24.858 11.753 -26.827 391 1HB LEU 58 1HB LEU 58 27.406 12.072 -25.888 392 2HB LEU 58 2HB LEU 58 26.666 13.024 -27.158 393 HG LEU 58 HG LEU 58 27.800 14.444 -25.534 394 1HD1 LEU 58 1HD1 LEU 58 25.239 14.785 -26.504 395 2HD1 LEU 58 2HD1 LEU 58 25.105 15.196 -24.795 396 3HD1 LEU 58 3HD1 LEU 58 26.276 16.033 -25.813 397 1HD2 LEU 58 1HD2 LEU 58 26.793 12.649 -23.661 398 2HD2 LEU 58 2HD2 LEU 58 27.705 14.124 -23.338 399 3HD2 LEU 58 3HD2 LEU 58 25.942 14.162 -23.348 400 HA PRO 59 HA PRO 59 27.213 10.607 -27.221 401 1HB PRO 59 1HB PRO 59 27.133 8.054 -28.179 402 2HB PRO 59 2HB PRO 59 28.372 8.636 -27.069 403 1HG PRO 59 2HG PRO 59 27.549 6.868 -25.822 404 2HG PRO 59 1HG PRO 59 25.918 7.035 -26.495 405 1HD PRO 59 1HD PRO 59 25.533 8.072 -24.478 406 2HD PRO 59 2HD PRO 59 27.229 8.560 -24.294 407 H PHE 60 H PHE 60 26.199 11.392 -28.961 408 HA PHE 60 HA PHE 60 23.572 10.258 -29.663 409 1HB PHE 60 1HB PHE 60 23.294 12.433 -30.952 410 2HB PHE 60 2HB PHE 60 23.307 12.567 -29.199 411 HD1 PHE 60 HD1 PHE 60 25.293 13.091 -32.254 412 HD2 PHE 60 HD2 PHE 60 24.967 13.818 -28.075 413 HE1 PHE 60 HE1 PHE 60 27.105 14.748 -32.405 414 HE2 PHE 60 HE2 PHE 60 26.776 15.478 -28.217 415 HZ PHE 60 HZ PHE 60 27.846 15.942 -30.384 416 H THR 61 H THR 61 23.098 10.548 -32.114 417 HA THR 61 HA THR 61 25.505 9.726 -33.607 418 HB THR 61 HB THR 61 23.064 8.695 -34.776 419 HG1 THR 61 HG1 THR 61 22.298 7.519 -33.132 420 1HG2 THR 61 1HG2 THR 61 25.626 7.488 -33.741 421 2HG2 THR 61 2HG2 THR 61 24.356 6.540 -34.515 422 3HG2 THR 61 3HG2 THR 61 25.182 7.812 -35.417 423 H TYR 62 H TYR 62 25.983 10.921 -35.307 424 HA TYR 62 HA TYR 62 23.836 12.273 -36.768 425 1HB TYR 62 1HB TYR 62 24.553 14.026 -35.334 426 2HB TYR 62 2HB TYR 62 26.252 13.626 -35.576 427 HD1 TYR 62 HD1 TYR 62 23.250 14.725 -37.504 428 HD2 TYR 62 HD2 TYR 62 27.484 14.856 -37.106 429 HE1 TYR 62 HE1 TYR 62 23.366 16.344 -39.348 430 HE2 TYR 62 HE2 TYR 62 27.612 16.479 -38.949 431 HH TYR 62 HH TYR 62 26.366 17.264 -40.800 432 H ASN 63 H ASN 63 24.049 12.051 -38.896 433 HA ASN 63 HA ASN 63 24.940 11.682 -40.955 434 1HB ASN 63 1HB ASN 63 26.768 13.313 -39.796 435 2HB ASN 63 2HB ASN 63 27.765 11.896 -40.111 436 2HD2 ASN 63 1HD2 ASN 63 28.127 14.393 -41.324 437 1HD2 ASN 63 2HD2 ASN 63 27.825 14.223 -43.016 438 H GLY 64 H GLY 64 25.183 9.716 -38.436 439 1HA GLY 64 1HA GLY 64 25.174 7.334 -38.862 440 2HA GLY 64 2HA GLY 64 26.434 7.596 -40.058 441 H ARG 65 H ARG 65 27.431 9.559 -37.729 442 HA ARG 65 HA ARG 65 29.037 7.446 -36.468 443 1HB ARG 65 2HB ARG 65 30.263 9.182 -37.754 444 2HB ARG 65 1HB ARG 65 30.735 9.102 -36.063 445 1HG ARG 65 1HG ARG 65 28.599 11.022 -36.672 446 2HG ARG 65 2HG ARG 65 30.008 11.176 -35.627 447 1HD ARG 65 1HD ARG 65 30.035 12.682 -37.615 448 2HD ARG 65 2HD ARG 65 31.436 11.617 -37.486 449 HE ARG 65 HE ARG 65 29.345 10.515 -39.090 450 1HH1 ARG 65 1HH1 ARG 65 32.076 12.674 -39.090 451 2HH1 ARG 65 2HH1 ARG 65 32.367 12.518 -40.791 452 1HH2 ARG 65 1HH2 ARG 65 29.718 10.300 -41.335 453 2HH2 ARG 65 2HH2 ARG 65 31.026 11.169 -42.067 454 H THR 66 H THR 66 30.025 8.894 -34.310 455 HA THR 66 HA THR 66 27.689 9.705 -32.754 456 HB THR 66 HB THR 66 29.571 7.509 -31.872 457 HG1 THR 66 HG1 THR 66 27.442 6.376 -31.824 458 1HG2 THR 66 1HG2 THR 66 28.875 9.033 -30.039 459 2HG2 THR 66 2HG2 THR 66 27.191 8.680 -30.427 460 3HG2 THR 66 3HG2 THR 66 28.251 7.394 -29.848 461 H PHE 67 H PHE 67 28.201 10.846 -30.808 462 HA PHE 67 HA PHE 67 30.990 11.657 -30.463 463 1HB PHE 67 1HB PHE 67 28.881 13.786 -30.458 464 2HB PHE 67 2HB PHE 67 30.616 13.942 -30.700 465 HD1 PHE 67 HD1 PHE 67 27.785 12.132 -32.355 466 HD2 PHE 67 HD2 PHE 67 31.238 14.586 -32.795 467 HE1 PHE 67 HE1 PHE 67 27.445 12.171 -34.791 468 HE2 PHE 67 HE2 PHE 67 30.902 14.627 -35.230 469 HZ PHE 67 HZ PHE 67 29.005 13.419 -36.232 470 H TYR 68 H TYR 68 31.527 12.296 -28.384 471 HA TYR 68 HA TYR 68 29.538 11.632 -26.344 472 1HB TYR 68 1HB TYR 68 32.540 11.950 -26.194 473 2HB TYR 68 2HB TYR 68 31.516 11.603 -24.805 474 HD1 TYR 68 HD1 TYR 68 29.652 9.813 -26.649 475 HD2 TYR 68 HD2 TYR 68 33.804 9.873 -25.763 476 HE1 TYR 68 HE1 TYR 68 29.778 7.409 -27.148 477 HE2 TYR 68 HE2 TYR 68 33.955 7.471 -26.261 478 HH TYR 68 HH TYR 68 32.812 5.612 -26.741 479 H SER 69 H SER 69 30.249 14.330 -27.909 480 HA SER 69 HA SER 69 29.195 16.048 -25.959 481 1HB SER 69 1HB SER 69 31.398 15.738 -24.884 482 2HB SER 69 2HB SER 69 32.182 16.346 -26.342 483 HG SER 69 HG SER 69 31.240 17.741 -24.308 484 H CYS 70 H CYS 70 30.536 18.432 -26.698 485 HA CYS 70 HA CYS 70 29.095 19.254 -28.896 486 1HB CYS 70 2HB CYS 70 30.298 21.258 -28.813 487 2HB CYS 70 1HB CYS 70 31.779 20.463 -28.305 488 H THR 71 H THR 71 29.962 20.038 -31.016 489 HA THR 71 HA THR 71 32.314 18.958 -32.140 490 HB THR 71 HB THR 71 30.879 16.863 -31.869 491 HG1 THR 71 HG1 THR 71 32.430 16.478 -33.293 492 1HG2 THR 71 1HG2 THR 71 29.370 18.206 -34.114 493 2HG2 THR 71 2HG2 THR 71 29.204 16.510 -33.660 494 3HG2 THR 71 3HG2 THR 71 28.735 17.775 -32.526 495 H THR 72 H THR 72 32.645 19.623 -34.277 496 HA THR 72 HA THR 72 30.609 21.495 -35.302 497 HB THR 72 HB THR 72 32.740 22.456 -36.526 498 HG1 THR 72 HG1 THR 72 34.600 22.232 -35.232 499 1HG2 THR 72 1HG2 THR 72 31.398 23.036 -34.038 500 2HG2 THR 72 2HG2 THR 72 33.088 23.536 -33.970 501 3HG2 THR 72 3HG2 THR 72 32.039 24.146 -35.250 502 H GLU 73 H GLU 73 29.803 19.414 -36.299 503 HA GLU 73 HA GLU 73 31.241 18.865 -38.808 504 1HB GLU 73 1HB GLU 73 29.664 17.070 -36.997 505 2HB GLU 73 2HB GLU 73 29.840 16.676 -38.701 506 1HG GLU 73 1HG GLU 73 32.327 17.339 -37.273 507 2HG GLU 73 2HG GLU 73 31.526 15.849 -36.783 508 H GLY 74 H GLY 74 27.950 18.630 -37.464 509 1HA GLY 74 1HA GLY 74 26.830 19.131 -40.100 510 2HA GLY 74 2HA GLY 74 25.935 18.722 -38.649 511 H ARG 75 H ARG 75 28.100 21.363 -39.645 512 HA ARG 75 HA ARG 75 25.949 23.269 -39.134 513 1HB ARG 75 1HB ARG 75 27.709 24.712 -37.909 514 2HB ARG 75 2HB ARG 75 26.935 23.401 -37.030 515 1HG ARG 75 1HG ARG 75 28.835 22.159 -36.924 516 2HG ARG 75 2HG ARG 75 29.477 22.808 -38.433 517 1HD ARG 75 1HD ARG 75 29.170 24.708 -36.194 518 2HD ARG 75 2HD ARG 75 30.415 23.477 -36.016 519 HE ARG 75 HE ARG 75 30.622 25.777 -37.573 520 1HH1 ARG 75 1HH1 ARG 75 31.190 22.353 -37.857 521 2HH1 ARG 75 2HH1 ARG 75 32.442 22.527 -39.041 522 1HH2 ARG 75 1HH2 ARG 75 32.272 26.019 -39.129 523 2HH2 ARG 75 2HH2 ARG 75 33.059 24.612 -39.763 524 H GLN 76 H GLN 76 26.683 25.543 -39.767 525 HA GLN 76 HA GLN 76 28.632 25.490 -41.957 526 1HB GLN 76 2HB GLN 76 27.155 26.461 -43.509 527 2HB GLN 76 1HB GLN 76 26.000 26.905 -42.260 528 1HG GLN 76 1HG GLN 76 26.607 24.052 -42.957 529 2HG GLN 76 2HG GLN 76 25.258 24.682 -42.013 530 2HE2 GLN 76 1HE2 GLN 76 26.168 23.540 -44.972 531 1HE2 GLN 76 2HE2 GLN 76 24.879 24.176 -45.930 532 H ASP 77 H ASP 77 28.243 26.648 -39.127 533 HA ASP 77 HA ASP 77 28.757 29.466 -39.814 534 1HB ASP 77 1HB ASP 77 27.298 28.161 -37.610 535 2HB ASP 77 2HB ASP 77 28.337 29.496 -37.125 536 H GLY 78 H GLY 78 29.520 27.545 -36.947 537 1HA GLY 78 1HA GLY 78 32.063 26.858 -37.076 538 2HA GLY 78 2HA GLY 78 32.245 28.604 -37.014 539 H HIS 79 H HIS 79 29.698 26.940 -35.277 540 HA HIS 79 HA HIS 79 31.124 27.492 -32.762 541 1HB HIS 79 1HB HIS 79 28.127 27.506 -32.967 542 2HB HIS 79 2HB HIS 79 29.155 28.256 -31.751 543 HD1 HIS 79 HD1 HIS 79 31.022 29.716 -33.886 544 HD2 HIS 79 HD2 HIS 79 26.873 29.856 -33.723 545 HE1 HIS 79 HE1 HIS 79 30.375 31.838 -35.070 546 HE2 HIS 79 HE2 HIS 79 27.856 31.844 -35.056 547 H LEU 80 H LEU 80 31.463 25.770 -31.507 548 HA LEU 80 HA LEU 80 30.887 23.169 -32.200 549 1HB LEU 80 1HB LEU 80 31.408 24.445 -29.520 550 2HB LEU 80 2HB LEU 80 31.187 22.716 -29.694 551 HG LEU 80 HG LEU 80 33.146 22.520 -31.065 552 1HD1 LEU 80 1HD1 LEU 80 32.878 24.601 -32.326 553 2HD1 LEU 80 2HD1 LEU 80 33.368 25.521 -30.902 554 3HD1 LEU 80 3HD1 LEU 80 34.511 24.429 -31.683 555 1HD2 LEU 80 1HD2 LEU 80 33.256 22.909 -28.477 556 2HD2 LEU 80 2HD2 LEU 80 34.733 22.833 -29.437 557 3HD2 LEU 80 3HD2 LEU 80 34.082 24.396 -28.946 558 H TRP 81 H TRP 81 29.074 22.008 -32.255 559 HA TRP 81 HA TRP 81 26.804 22.893 -30.595 560 1HB TRP 81 2HB TRP 81 26.492 23.333 -33.026 561 2HB TRP 81 1HB TRP 81 25.291 22.231 -32.360 562 HD1 TRP 81 HD1 TRP 81 28.017 22.444 -34.961 563 HE1 TRP 81 HE1 TRP 81 28.090 20.243 -36.297 564 HE3 TRP 81 HE3 TRP 81 24.889 19.620 -32.060 565 HZ2 TRP 81 HZ2 TRP 81 26.972 17.655 -36.142 566 HZ3 TRP 81 HZ3 TRP 81 24.445 17.293 -32.723 567 HH2 TRP 81 HH2 TRP 81 25.465 16.332 -34.723 568 H CYS 82 H CYS 82 25.343 21.275 -29.873 569 HA CYS 82 HA CYS 82 26.306 18.508 -30.004 570 1HB CYS 82 2HB CYS 82 27.032 19.784 -27.864 571 2HB CYS 82 1HB CYS 82 26.310 18.188 -27.690 572 H SER 83 H SER 83 24.528 17.106 -28.716 573 HA SER 83 HA SER 83 21.960 17.931 -29.888 574 1HB SER 83 1HB SER 83 22.262 15.886 -30.848 575 2HB SER 83 2HB SER 83 23.300 15.310 -29.546 576 HG SER 83 HG SER 83 21.182 14.299 -29.684 577 H THR 84 H THR 84 20.072 17.874 -28.704 578 HA THR 84 HA THR 84 20.436 17.719 -25.788 579 HB THR 84 HB THR 84 18.441 19.158 -25.608 580 HG1 THR 84 HG1 THR 84 18.552 18.995 -28.441 581 1HG2 THR 84 1HG2 THR 84 20.880 20.015 -27.078 582 2HG2 THR 84 2HG2 THR 84 19.539 21.157 -26.978 583 3HG2 THR 84 3HG2 THR 84 20.270 20.527 -25.503 584 H THR 85 H THR 85 18.638 16.496 -28.495 585 HA THR 85 HA THR 85 16.965 14.896 -26.674 586 HB THR 85 HB THR 85 16.499 15.698 -29.549 587 HG1 THR 85 HG1 THR 85 15.816 17.306 -28.206 588 1HG2 THR 85 1HG2 THR 85 15.530 13.397 -28.101 589 2HG2 THR 85 2HG2 THR 85 14.199 14.469 -28.541 590 3HG2 THR 85 3HG2 THR 85 15.278 13.846 -29.788 591 H SER 86 H SER 86 16.905 12.683 -26.871 592 HA SER 86 HA SER 86 19.132 11.282 -27.613 593 1HB SER 86 1HB SER 86 17.914 9.679 -26.628 594 2HB SER 86 2HB SER 86 16.444 10.633 -26.826 595 HG SER 86 HG SER 86 16.225 9.743 -28.907 596 H ASN 87 H ASN 87 16.296 11.998 -29.595 597 HA ASN 87 HA ASN 87 17.709 10.922 -31.940 598 1HB ASN 87 1HB ASN 87 15.018 10.669 -31.051 599 2HB ASN 87 2HB ASN 87 14.998 11.608 -32.541 600 2HD2 ASN 87 1HD2 ASN 87 15.550 10.646 -34.453 601 1HD2 ASN 87 2HD2 ASN 87 15.803 8.946 -34.619 602 H TYR 88 H TYR 88 19.002 12.726 -32.361 603 HA TYR 88 HA TYR 88 17.879 15.354 -32.599 604 1HB TYR 88 1HB TYR 88 20.137 15.378 -31.984 605 2HB TYR 88 2HB TYR 88 20.571 14.148 -33.166 606 HD1 TYR 88 HD1 TYR 88 19.797 17.710 -32.682 607 HD2 TYR 88 HD2 TYR 88 21.080 14.736 -35.441 608 HE1 TYR 88 HE1 TYR 88 20.486 19.472 -34.254 609 HE2 TYR 88 HE2 TYR 88 21.776 16.490 -37.017 610 HH TYR 88 HH TYR 88 21.683 19.897 -36.135 611 H GLU 89 H GLU 89 18.270 12.634 -34.657 612 HA GLU 89 HA GLU 89 18.079 14.126 -37.117 613 1HB GLU 89 1HB GLU 89 17.867 11.155 -36.600 614 2HB GLU 89 2HB GLU 89 17.966 11.905 -38.187 615 1HG GLU 89 1HG GLU 89 20.185 12.735 -37.689 616 2HG GLU 89 2HG GLU 89 20.087 12.074 -36.057 617 H GLN 90 H GLN 90 15.916 13.776 -34.818 618 HA GLN 90 HA GLN 90 13.672 13.560 -36.702 619 1HB GLN 90 1HB GLN 90 13.258 11.596 -35.625 620 2HB GLN 90 2HB GLN 90 14.156 12.071 -34.190 621 1HG GLN 90 1HG GLN 90 11.904 11.832 -33.537 622 2HG GLN 90 2HG GLN 90 12.227 13.564 -33.602 623 2HE2 GLN 90 1HE2 GLN 90 10.622 14.675 -34.427 624 1HE2 GLN 90 2HE2 GLN 90 9.549 14.153 -35.676 625 H ASP 91 H ASP 91 14.727 14.702 -33.520 626 HA ASP 91 HA ASP 91 12.565 16.605 -33.343 627 1HB ASP 91 1HB ASP 91 14.457 15.442 -31.539 628 2HB ASP 91 2HB ASP 91 14.585 17.195 -31.435 629 H GLN 92 H GLN 92 16.090 16.753 -33.754 630 HA GLN 92 HA GLN 92 17.343 18.268 -34.950 631 1HB GLN 92 1HB GLN 92 15.096 18.637 -36.214 632 2HB GLN 92 2HB GLN 92 14.976 20.092 -35.234 633 1HG GLN 92 1HG GLN 92 15.935 20.532 -37.439 634 2HG GLN 92 2HG GLN 92 17.058 20.918 -36.136 635 2HE2 GLN 92 1HE2 GLN 92 16.249 17.766 -37.496 636 1HE2 GLN 92 2HE2 GLN 92 17.838 17.401 -38.064 637 H LYS 93 H LYS 93 16.301 18.381 -32.037 638 HA LYS 93 HA LYS 93 16.774 21.175 -31.387 639 1HB LYS 93 1HB LYS 93 15.890 18.767 -29.834 640 2HB LYS 93 2HB LYS 93 16.488 20.186 -28.986 641 1HG LYS 93 1HG LYS 93 14.042 20.155 -29.175 642 2HG LYS 93 2HG LYS 93 14.763 21.555 -29.971 643 1HD LYS 93 1HD LYS 93 13.986 20.940 -31.978 644 2HD LYS 93 2HD LYS 93 14.483 19.263 -31.744 645 1HE LYS 93 1HE LYS 93 12.373 18.678 -31.377 646 2HE LYS 93 2HE LYS 93 12.294 19.791 -30.011 647 1HZ LYS 93 1HZ LYS 93 11.787 21.571 -31.662 648 2HZ LYS 93 2HZ LYS 93 11.642 20.372 -32.845 649 3HZ LYS 93 3HZ LYS 93 10.588 20.386 -31.523 650 H TYR 94 H TYR 94 18.865 21.716 -31.567 651 HA TYR 94 HA TYR 94 20.823 20.074 -30.098 652 1HB TYR 94 1HB TYR 94 22.507 20.641 -31.715 653 2HB TYR 94 2HB TYR 94 21.107 20.032 -32.590 654 HD1 TYR 94 HD1 TYR 94 22.884 23.139 -31.616 655 HD2 TYR 94 HD2 TYR 94 20.042 21.350 -34.228 656 HE1 TYR 94 HE1 TYR 94 22.860 25.184 -32.980 657 HE2 TYR 94 HE2 TYR 94 20.011 23.390 -35.600 658 HH TYR 94 HH TYR 94 20.642 26.074 -34.924 659 H SER 95 H SER 95 22.879 21.453 -29.654 660 HA SER 95 HA SER 95 22.099 24.156 -28.803 661 1HB SER 95 1HB SER 95 23.951 23.077 -26.913 662 2HB SER 95 2HB SER 95 22.295 23.618 -26.638 663 HG SER 95 HG SER 95 22.541 21.435 -26.065 664 H PHE 96 H PHE 96 24.468 24.899 -27.608 665 HA PHE 96 HA PHE 96 26.449 24.610 -29.768 666 1HB PHE 96 1HB PHE 96 25.356 27.070 -28.482 667 2HB PHE 96 2HB PHE 96 27.054 27.063 -28.948 668 HD1 PHE 96 HD1 PHE 96 26.998 25.514 -31.434 669 HD2 PHE 96 HD2 PHE 96 24.314 28.479 -29.983 670 HE1 PHE 96 HE1 PHE 96 26.365 26.068 -33.747 671 HE2 PHE 96 HE2 PHE 96 23.675 29.039 -32.291 672 HZ PHE 96 HZ PHE 96 24.703 27.833 -34.178 673 H CYS 97 H CYS 97 28.551 25.934 -28.767 674 HA CYS 97 HA CYS 97 29.048 25.284 -26.014 675 1HB CYS 97 1HB CYS 97 30.314 23.657 -28.213 676 2HB CYS 97 2HB CYS 97 31.022 23.787 -26.608 677 H THR 98 H THR 98 30.151 26.971 -25.335 678 HA THR 98 HA THR 98 31.370 28.891 -26.913 679 HB THR 98 HB THR 98 32.732 29.229 -24.609 680 HG1 THR 98 HG1 THR 98 30.939 28.569 -23.025 681 1HG2 THR 98 1HG2 THR 98 29.822 29.872 -25.086 682 2HG2 THR 98 2HG2 THR 98 30.842 30.629 -23.862 683 3HG2 THR 98 3HG2 THR 98 31.207 30.849 -25.573 684 H ASP 99 H ASP 99 33.538 27.539 -24.548 685 HA ASP 99 HA ASP 99 35.578 26.526 -24.708 686 1HB ASP 99 1HB ASP 99 34.235 25.549 -26.968 687 2HB ASP 99 2HB ASP 99 35.784 26.136 -27.568 688 H HIS 100 H HIS 100 34.955 28.476 -27.629 689 HA HIS 100 HA HIS 100 36.961 30.389 -26.842 690 1HB HIS 100 1HB HIS 100 37.885 28.261 -28.311 691 2HB HIS 100 2HB HIS 100 37.530 29.448 -29.563 692 HD1 HIS 100 HD1 HIS 100 38.376 31.985 -27.920 693 HD2 HIS 100 HD2 HIS 100 40.620 28.509 -28.311 694 HE1 HIS 100 HE1 HIS 100 40.757 32.670 -27.488 695 HE2 HIS 100 HE2 HIS 100 42.104 30.561 -27.788 696 H THR 101 H THR 101 37.343 31.487 -29.444 697 HA THR 101 HA THR 101 35.146 33.196 -29.636 698 HB THR 101 HB THR 101 36.243 33.297 -32.158 699 HG1 THR 101 HG1 THR 101 38.445 32.854 -30.445 700 1HG2 THR 101 1HG2 THR 101 36.701 34.701 -29.585 701 2HG2 THR 101 2HG2 THR 101 37.847 35.006 -30.890 702 3HG2 THR 101 3HG2 THR 101 36.129 35.328 -31.131 No H/Q in entry = 702 Start of MODEL 35 1 H1 TYR 1 H1 TYR 1 47.270 7.935 -44.048 2 H2 TYR 1 H2 TYR 1 47.794 7.118 -45.435 3 H3 TYR 1 H3 TYR 1 48.578 8.534 -44.939 4 HA TYR 1 HA TYR 1 47.123 9.862 -45.927 5 1HB TYR 1 1HB TYR 1 47.622 8.031 -47.589 6 2HB TYR 1 2HB TYR 1 46.086 7.296 -47.143 7 HD1 TYR 1 HD1 TYR 1 47.658 10.222 -48.745 8 HD2 TYR 1 HD2 TYR 1 44.018 8.163 -47.963 9 HE1 TYR 1 HE1 TYR 1 46.511 11.633 -50.400 10 HE2 TYR 1 HE2 TYR 1 42.860 9.567 -49.617 11 HH TYR 1 HH TYR 1 43.516 10.914 -51.668 12 H GLY 2 H GLY 2 46.141 9.506 -43.449 13 1HA GLY 2 1HA GLY 2 43.937 10.413 -42.825 14 2HA GLY 2 2HA GLY 2 43.235 9.219 -43.906 15 H HIS 3 H HIS 3 44.526 6.929 -43.245 16 HA HIS 3 HA HIS 3 43.172 5.777 -41.251 17 1HB HIS 3 1HB HIS 3 44.542 4.290 -42.373 18 2HB HIS 3 2HB HIS 3 45.958 5.325 -42.239 19 HD1 HIS 3 HD1 HIS 3 47.523 4.897 -40.316 20 HD2 HIS 3 HD2 HIS 3 43.955 2.794 -39.994 21 HE1 HIS 3 HE1 HIS 3 47.846 3.324 -38.383 22 HE2 HIS 3 HE2 HIS 3 45.615 2.195 -38.097 23 H CYS 4 H CYS 4 43.538 5.267 -39.014 24 HA CYS 4 HA CYS 4 45.355 7.065 -37.581 25 1HB CYS 4 1HB CYS 4 43.340 7.284 -35.891 26 2HB CYS 4 2HB CYS 4 43.468 8.347 -37.284 27 H VAL 5 H VAL 5 46.464 6.028 -36.054 28 HA VAL 5 HA VAL 5 45.334 3.558 -34.917 29 HB VAL 5 HB VAL 5 47.016 2.968 -36.615 30 1HG1 VAL 5 1HG1 VAL 5 48.385 4.999 -36.450 31 2HG1 VAL 5 2HG1 VAL 5 48.954 4.476 -34.864 32 3HG1 VAL 5 3HG1 VAL 5 49.358 3.535 -36.300 33 1HG2 VAL 5 1HG2 VAL 5 47.092 2.232 -33.817 34 2HG2 VAL 5 2HG2 VAL 5 47.230 1.218 -35.254 35 3HG2 VAL 5 3HG2 VAL 5 48.660 2.011 -34.593 36 H THR 6 H THR 6 45.658 3.244 -32.764 37 HA THR 6 HA THR 6 46.327 5.477 -31.158 38 HB THR 6 HB THR 6 46.124 3.903 -29.243 39 HG1 THR 6 HG1 THR 6 45.703 1.978 -31.306 40 1HG2 THR 6 1HG2 THR 6 44.019 4.057 -31.365 41 2HG2 THR 6 2HG2 THR 6 43.726 3.127 -29.894 42 3HG2 THR 6 3HG2 THR 6 44.080 4.852 -29.791 43 H ASP 7 H ASP 7 47.867 2.260 -31.113 44 HA ASP 7 HA ASP 7 50.500 3.453 -31.197 45 1HB ASP 7 1HB ASP 7 49.757 1.779 -28.797 46 2HB ASP 7 2HB ASP 7 51.266 2.644 -29.078 47 H SER 8 H SER 8 48.731 0.471 -30.444 48 HA SER 8 HA SER 8 49.727 -0.963 -32.639 49 1HB SER 8 1HB SER 8 51.873 -0.879 -31.478 50 2HB SER 8 2HB SER 8 51.135 -1.543 -30.021 51 HG SER 8 HG SER 8 51.913 -3.310 -30.963 52 H GLY 9 H GLY 9 47.327 -1.117 -32.346 53 1HA GLY 9 1HA GLY 9 46.559 -3.694 -31.660 54 2HA GLY 9 2HA GLY 9 46.220 -2.690 -30.258 55 H VAL 10 H VAL 10 45.507 -0.328 -31.652 56 HA VAL 10 HA VAL 10 42.974 -1.189 -32.890 57 HB VAL 10 HB VAL 10 43.439 1.415 -31.438 58 1HG1 VAL 10 1HG1 VAL 10 41.155 0.153 -32.833 59 2HG1 VAL 10 2HG1 VAL 10 40.799 1.008 -31.332 60 3HG1 VAL 10 3HG1 VAL 10 41.584 1.856 -32.665 61 1HG2 VAL 10 1HG2 VAL 10 43.684 -0.573 -29.949 62 2HG2 VAL 10 2HG2 VAL 10 42.340 0.487 -29.524 63 3HG2 VAL 10 3HG2 VAL 10 42.034 -1.029 -30.371 64 H VAL 11 H VAL 11 43.244 -0.994 -35.030 65 HA VAL 11 HA VAL 11 44.712 1.293 -36.108 66 HB VAL 11 HB VAL 11 43.671 -1.218 -37.419 67 1HG1 VAL 11 1HG1 VAL 11 44.091 1.275 -38.636 68 2HG1 VAL 11 2HG1 VAL 11 45.489 0.286 -39.053 69 3HG1 VAL 11 3HG1 VAL 11 43.863 -0.285 -39.426 70 1HG2 VAL 11 1HG2 VAL 11 45.662 -1.499 -36.019 71 2HG2 VAL 11 2HG2 VAL 11 46.031 -1.740 -37.726 72 3HG2 VAL 11 3HG2 VAL 11 46.480 -0.230 -36.931 73 H TYR 12 H TYR 12 42.987 2.782 -35.458 74 HA TYR 12 HA TYR 12 40.380 2.679 -36.503 75 1HB TYR 12 1HB TYR 12 42.086 5.059 -35.732 76 2HB TYR 12 2HB TYR 12 40.373 5.159 -36.118 77 HD1 TYR 12 HD1 TYR 12 38.848 3.515 -34.706 78 HD2 TYR 12 HD2 TYR 12 42.698 4.884 -33.526 79 HE1 TYR 12 HE1 TYR 12 38.292 3.033 -32.357 80 HE2 TYR 12 HE2 TYR 12 42.155 4.405 -31.173 81 HH TYR 12 HH TYR 12 39.285 2.671 -30.265 82 H SER 13 H SER 13 39.740 4.726 -38.017 83 HA SER 13 HA SER 13 41.626 4.953 -40.223 84 1HB SER 13 1HB SER 13 39.010 3.528 -40.370 85 2HB SER 13 2HB SER 13 39.538 4.468 -41.764 86 HG SER 13 HG SER 13 41.480 3.242 -41.736 87 H VAL 14 H VAL 14 41.350 6.749 -41.495 88 HA VAL 14 HA VAL 14 40.705 9.120 -40.571 89 HB VAL 14 HB VAL 14 41.532 9.027 -42.777 90 1HG1 VAL 14 1HG1 VAL 14 40.025 6.851 -43.149 91 2HG1 VAL 14 2HG1 VAL 14 39.051 8.025 -44.037 92 3HG1 VAL 14 3HG1 VAL 14 40.738 7.763 -44.481 93 1HG2 VAL 14 1HG2 VAL 14 39.426 10.673 -42.113 94 2HG2 VAL 14 2HG2 VAL 14 40.498 10.871 -43.499 95 3HG2 VAL 14 3HG2 VAL 14 38.958 10.033 -43.688 96 H GLY 15 H GLY 15 39.003 9.053 -39.044 97 1HA GLY 15 1HA GLY 15 36.823 10.145 -38.912 98 2HA GLY 15 2HA GLY 15 36.329 9.178 -40.287 99 H MET 16 H MET 16 38.167 7.318 -38.167 100 HA MET 16 HA MET 16 35.718 6.097 -37.119 101 1HB MET 16 1HB MET 16 37.907 4.953 -38.313 102 2HB MET 16 2HB MET 16 38.259 4.719 -36.605 103 1HG MET 16 1HG MET 16 35.515 4.059 -37.247 104 2HG MET 16 2HG MET 16 36.665 3.126 -38.202 105 1HE MET 16 1HE MET 16 38.731 2.229 -37.250 106 2HE MET 16 2HE MET 16 38.932 1.540 -35.640 107 3HE MET 16 3HE MET 16 37.916 0.724 -36.827 108 H GLN 17 H GLN 17 36.339 8.447 -35.916 109 HA GLN 17 HA GLN 17 38.024 8.652 -33.823 110 1HB GLN 17 1HB GLN 17 36.101 9.866 -32.618 111 2HB GLN 17 2HB GLN 17 36.626 10.487 -34.176 112 1HG GLN 17 2HG GLN 17 34.618 8.608 -34.719 113 2HG GLN 17 1HG GLN 17 34.543 10.361 -34.890 114 2HE2 GLN 17 1HE2 GLN 17 34.670 11.120 -32.239 115 1HE2 GLN 17 2HE2 GLN 17 33.232 10.606 -31.432 116 H TRP 18 H TRP 18 37.526 8.491 -31.447 117 HA TRP 18 HA TRP 18 35.850 6.277 -30.637 118 1HB TRP 18 1HB TRP 18 37.751 5.052 -29.578 119 2HB TRP 18 2HB TRP 18 37.843 5.084 -31.335 120 HD1 TRP 18 HD1 TRP 18 39.714 6.151 -28.241 121 HE1 TRP 18 HE1 TRP 18 41.954 7.214 -28.924 122 HE3 TRP 18 HE3 TRP 18 38.939 6.527 -33.284 123 HZ2 TRP 18 HZ2 TRP 18 43.225 8.102 -31.288 124 HZ3 TRP 18 HZ3 TRP 18 40.716 7.492 -34.681 125 HH2 TRP 18 HH2 TRP 18 42.814 8.261 -33.701 126 H LEU 19 H LEU 19 37.166 5.904 -28.100 127 HA LEU 19 HA LEU 19 37.161 8.573 -26.913 128 1HB LEU 19 1HB LEU 19 34.844 7.475 -26.839 129 2HB LEU 19 2HB LEU 19 35.544 6.359 -25.683 130 HG LEU 19 HG LEU 19 36.170 8.378 -24.284 131 1HD1 LEU 19 1HD1 LEU 19 35.046 9.704 -26.582 132 2HD1 LEU 19 2HD1 LEU 19 34.183 10.153 -25.111 133 3HD1 LEU 19 3HD1 LEU 19 35.928 10.381 -25.213 134 1HD2 LEU 19 1HD2 LEU 19 34.113 6.819 -24.064 135 2HD2 LEU 19 2HD2 LEU 19 34.146 8.333 -23.162 136 3HD2 LEU 19 3HD2 LEU 19 33.205 8.214 -24.649 137 H LYS 20 H LYS 20 39.005 8.726 -25.847 138 HA LYS 20 HA LYS 20 40.279 6.333 -24.780 139 1HB LYS 20 1HB LYS 20 41.332 8.465 -26.051 140 2HB LYS 20 2HB LYS 20 41.530 8.988 -24.384 141 1HG LYS 20 1HG LYS 20 43.441 7.852 -24.428 142 2HG LYS 20 2HG LYS 20 42.439 6.405 -24.306 143 1HD LYS 20 1HD LYS 20 42.437 7.093 -27.018 144 2HD LYS 20 2HD LYS 20 44.105 7.301 -26.479 145 1HE LYS 20 1HE LYS 20 42.528 4.833 -25.820 146 2HE LYS 20 2HE LYS 20 43.402 4.993 -27.344 147 1HZ LYS 20 1HZ LYS 20 45.199 5.733 -25.408 148 2HZ LYS 20 2HZ LYS 20 44.403 4.396 -24.747 149 3HZ LYS 20 3HZ LYS 20 45.172 4.266 -26.249 150 H THR 21 H THR 21 40.493 5.860 -22.668 151 HA THR 21 HA THR 21 39.393 7.787 -20.725 152 HB THR 21 HB THR 21 39.094 4.790 -20.828 153 HG1 THR 21 HG1 THR 21 36.836 5.798 -20.269 154 1HG2 THR 21 1HG2 THR 21 39.764 5.385 -18.554 155 2HG2 THR 21 2HG2 THR 21 38.499 6.614 -18.494 156 3HG2 THR 21 3HG2 THR 21 38.067 4.907 -18.605 157 H GLN 22 H GLN 22 41.986 5.692 -21.578 158 HA GLN 22 HA GLN 22 43.181 5.581 -18.968 159 1HB GLN 22 1HB GLN 22 43.802 4.567 -21.669 160 2HB GLN 22 2HB GLN 22 45.201 4.925 -20.667 161 1HG GLN 22 1HG GLN 22 42.928 3.102 -19.915 162 2HG GLN 22 2HG GLN 22 44.515 2.591 -20.488 163 2HE2 GLN 22 1HE2 GLN 22 44.224 1.420 -18.345 164 1HE2 GLN 22 2HE2 GLN 22 44.866 2.212 -16.951 165 H GLY 23 H GLY 23 43.161 7.896 -18.545 166 1HA GLY 23 1HA GLY 23 45.700 9.080 -19.168 167 2HA GLY 23 2HA GLY 23 44.364 9.905 -19.955 168 H ASN 24 H ASN 24 42.465 9.485 -17.849 169 HA ASN 24 HA ASN 24 43.474 10.494 -15.387 170 1HB ASN 24 1HB ASN 24 42.748 12.412 -17.454 171 2HB ASN 24 2HB ASN 24 41.790 12.627 -15.991 172 2HD2 ASN 24 1HD2 ASN 24 43.691 14.456 -17.004 173 1HD2 ASN 24 2HD2 ASN 24 44.957 14.601 -15.839 174 H LYS 25 H LYS 25 40.513 10.934 -17.331 175 HA LYS 25 HA LYS 25 39.056 9.200 -15.498 176 1HB LYS 25 1HB LYS 25 37.348 11.416 -15.929 177 2HB LYS 25 2HB LYS 25 38.015 10.844 -14.407 178 1HG LYS 25 1HG LYS 25 39.735 12.549 -16.122 179 2HG LYS 25 2HG LYS 25 38.396 13.311 -15.263 180 1HD LYS 25 1HD LYS 25 39.521 11.723 -13.329 181 2HD LYS 25 2HD LYS 25 40.928 12.264 -14.247 182 1HE LYS 25 1HE LYS 25 40.008 14.606 -14.034 183 2HE LYS 25 2HE LYS 25 38.844 13.954 -12.882 184 1HZ LYS 25 1HZ LYS 25 41.134 13.004 -11.896 185 2HZ LYS 25 2HZ LYS 25 41.677 14.461 -12.561 186 3HZ LYS 25 3HZ LYS 25 40.438 14.468 -11.410 187 H GLN 26 H GLN 26 38.642 11.450 -18.221 188 HA GLN 26 HA GLN 26 37.645 9.341 -19.908 189 1HB GLN 26 1HB GLN 26 35.813 11.119 -18.508 190 2HB GLN 26 2HB GLN 26 35.626 11.224 -20.254 191 1HG GLN 26 1HG GLN 26 35.074 8.957 -20.444 192 2HG GLN 26 2HG GLN 26 35.672 8.589 -18.827 193 2HE2 GLN 26 1HE2 GLN 26 33.211 10.474 -20.528 194 1HE2 GLN 26 2HE2 GLN 26 31.995 10.314 -19.311 195 H MET 27 H MET 27 37.593 9.942 -22.120 196 HA MET 27 HA MET 27 38.084 12.617 -22.969 197 1HB MET 27 1HB MET 27 40.303 12.207 -22.116 198 2HB MET 27 2HB MET 27 40.399 10.677 -22.977 199 1HG MET 27 1HG MET 27 39.896 13.063 -24.627 200 2HG MET 27 2HG MET 27 41.481 12.961 -23.863 201 1HE MET 27 1HE MET 27 43.076 11.393 -24.064 202 2HE MET 27 2HE MET 27 43.226 10.071 -25.222 203 3HE MET 27 3HE MET 27 43.485 11.736 -25.745 204 H LEU 28 H LEU 28 38.032 12.855 -25.226 205 HA LEU 28 HA LEU 28 37.207 10.423 -26.678 206 1HB LEU 28 1HB LEU 28 35.321 11.810 -26.583 207 2HB LEU 28 2HB LEU 28 36.265 13.266 -26.835 208 HG LEU 28 HG LEU 28 36.643 11.700 -29.141 209 1HD1 LEU 28 1HD1 LEU 28 34.452 10.642 -28.092 210 2HD1 LEU 28 2HD1 LEU 28 33.712 12.046 -28.861 211 3HD1 LEU 28 3HD1 LEU 28 34.634 10.892 -29.828 212 1HD2 LEU 28 1HD2 LEU 28 35.389 14.267 -28.384 213 2HD2 LEU 28 2HD2 LEU 28 36.637 13.921 -29.580 214 3HD2 LEU 28 3HD2 LEU 28 34.943 13.602 -29.956 215 H CYS 29 H CYS 29 38.395 9.835 -28.387 216 HA CYS 29 HA CYS 29 40.312 11.788 -29.484 217 1HB CYS 29 1HB CYS 29 40.563 8.924 -28.772 218 2HB CYS 29 2HB CYS 29 41.369 9.432 -30.251 219 H THR 30 H THR 30 40.134 12.301 -31.583 220 HA THR 30 HA THR 30 38.614 10.483 -33.337 221 HB THR 30 HB THR 30 38.415 13.501 -33.297 222 HG1 THR 30 HG1 THR 30 37.145 12.033 -31.783 223 1HG2 THR 30 1HG2 THR 30 37.697 11.475 -35.342 224 2HG2 THR 30 2HG2 THR 30 36.520 12.752 -35.039 225 3HG2 THR 30 3HG2 THR 30 38.162 13.164 -35.537 226 H CYS 31 H CYS 31 39.232 10.431 -35.508 227 HA CYS 31 HA CYS 31 41.796 11.753 -36.088 228 1HB CYS 31 1HB CYS 31 42.338 9.801 -37.531 229 2HB CYS 31 2HB CYS 31 42.212 9.395 -35.824 230 H LEU 32 H LEU 32 41.268 13.390 -37.354 231 HA LEU 32 HA LEU 32 39.116 13.249 -39.249 232 1HB LEU 32 1HB LEU 32 40.265 15.551 -39.907 233 2HB LEU 32 2HB LEU 32 39.232 15.388 -38.500 234 HG LEU 32 HG LEU 32 42.102 14.873 -38.030 235 1HD1 LEU 32 1HD1 LEU 32 41.197 17.301 -39.335 236 2HD1 LEU 32 2HD1 LEU 32 41.992 17.607 -37.790 237 3HD1 LEU 32 3HD1 LEU 32 42.832 16.702 -39.050 238 1HD2 LEU 32 1HD2 LEU 32 40.161 14.971 -36.345 239 2HD2 LEU 32 2HD2 LEU 32 41.656 15.817 -35.945 240 3HD2 LEU 32 3HD2 LEU 32 40.265 16.721 -36.546 241 H GLY 33 H GLY 33 42.099 14.795 -40.212 242 1HA GLY 33 1HA GLY 33 42.594 12.678 -42.187 243 2HA GLY 33 2HA GLY 33 42.328 14.318 -42.754 244 H ASN 34 H ASN 34 43.729 15.639 -40.644 245 HA ASN 34 HA ASN 34 46.384 15.410 -41.678 246 1HB ASN 34 1HB ASN 34 46.864 17.362 -40.515 247 2HB ASN 34 2HB ASN 34 45.130 17.520 -40.775 248 2HD2 ASN 34 1HD2 ASN 34 47.531 16.411 -38.441 249 1HD2 ASN 34 2HD2 ASN 34 46.609 16.807 -37.037 250 H GLY 35 H GLY 35 44.815 14.634 -38.610 251 1HA GLY 35 1HA GLY 35 46.772 12.582 -38.091 252 2HA GLY 35 2HA GLY 35 46.892 13.952 -36.997 253 H VAL 36 H VAL 36 45.775 13.812 -35.186 254 HA VAL 36 HA VAL 36 43.143 12.629 -35.111 255 HB VAL 36 HB VAL 36 45.459 11.330 -33.675 256 1HG1 VAL 36 1HG1 VAL 36 42.782 11.712 -32.722 257 2HG1 VAL 36 2HG1 VAL 36 43.081 9.997 -33.010 258 3HG1 VAL 36 3HG1 VAL 36 44.143 10.910 -31.938 259 1HG2 VAL 36 1HG2 VAL 36 43.647 10.596 -35.872 260 2HG2 VAL 36 2HG2 VAL 36 45.301 10.085 -35.541 261 3HG2 VAL 36 3HG2 VAL 36 43.958 9.335 -34.681 262 H SER 37 H SER 37 42.029 14.072 -33.981 263 HA SER 37 HA SER 37 43.369 15.494 -31.786 264 1HB SER 37 1HB SER 37 42.403 16.879 -33.624 265 2HB SER 37 2HB SER 37 40.808 16.246 -33.215 266 HG SER 37 HG SER 37 40.932 18.081 -32.069 267 H CYS 38 H CYS 38 42.512 15.521 -29.738 268 HA CYS 38 HA CYS 38 40.109 13.888 -29.297 269 1HB CYS 38 1HB CYS 38 42.448 13.847 -27.408 270 2HB CYS 38 2HB CYS 38 41.094 12.732 -27.493 271 H GLN 39 H GLN 39 39.331 14.157 -26.955 272 HA GLN 39 HA GLN 39 39.621 16.961 -26.113 273 1HB GLN 39 1HB GLN 39 37.486 16.543 -27.365 274 2HB GLN 39 2HB GLN 39 37.027 15.409 -26.101 275 1HG GLN 39 1HG GLN 39 36.634 17.053 -24.572 276 2HG GLN 39 2HG GLN 39 37.789 18.165 -25.305 277 2HE2 GLN 39 1HE2 GLN 39 37.174 19.238 -27.262 278 1HE2 GLN 39 2HE2 GLN 39 35.506 19.540 -27.597 279 H GLU 40 H GLU 40 41.012 16.394 -24.435 280 HA GLU 40 HA GLU 40 40.768 14.314 -22.645 281 1HB GLU 40 1HB GLU 40 42.145 16.890 -22.703 282 2HB GLU 40 2HB GLU 40 41.736 16.370 -21.073 283 1HG GLU 40 1HG GLU 40 43.759 15.377 -21.266 284 2HG GLU 40 2HG GLU 40 42.759 14.089 -21.938 285 H THR 41 H THR 41 39.434 13.809 -21.037 286 HA THR 41 HA THR 41 37.962 14.064 -19.282 287 HB THR 41 HB THR 41 37.557 16.963 -19.966 288 HG1 THR 41 HG1 THR 41 39.404 17.481 -18.916 289 1HG2 THR 41 1HG2 THR 41 36.945 15.157 -17.736 290 2HG2 THR 41 2HG2 THR 41 37.633 16.707 -17.251 291 3HG2 THR 41 3HG2 THR 41 36.164 16.660 -18.225 292 H ALA 42 H ALA 42 37.057 16.229 -21.961 293 HA ALA 42 HA ALA 42 35.201 16.361 -23.266 294 1HB ALA 42 1HB ALA 42 35.931 14.048 -23.816 295 2HB ALA 42 3HB ALA 42 34.197 14.316 -24.000 296 3HB ALA 42 2HB ALA 42 34.812 13.452 -22.590 297 H VAL 43 H VAL 43 35.024 16.486 -20.166 298 HA VAL 43 HA VAL 43 32.221 15.839 -19.749 299 HB VAL 43 HB VAL 43 32.532 16.268 -17.471 300 1HG1 VAL 43 1HG1 VAL 43 34.733 14.896 -18.843 301 2HG1 VAL 43 2HG1 VAL 43 35.076 15.372 -17.179 302 3HG1 VAL 43 3HG1 VAL 43 33.687 14.345 -17.534 303 1HG2 VAL 43 1HG2 VAL 43 34.563 18.177 -18.412 304 2HG2 VAL 43 2HG2 VAL 43 33.454 18.279 -17.045 305 3HG2 VAL 43 3HG2 VAL 43 34.946 17.351 -16.902 306 H THR 44 H THR 44 31.260 17.773 -18.146 307 HA THR 44 HA THR 44 31.665 20.429 -18.728 308 HB THR 44 HB THR 44 31.243 20.184 -21.029 309 HG1 THR 44 HG1 THR 44 30.048 21.916 -20.403 310 1HG2 THR 44 1HG2 THR 44 30.179 17.865 -20.672 311 2HG2 THR 44 2HG2 THR 44 28.655 18.743 -20.546 312 3HG2 THR 44 3HG2 THR 44 29.610 18.842 -22.026 313 H GLN 45 H GLN 45 29.397 21.696 -18.618 314 HA GLN 45 HA GLN 45 27.728 20.331 -16.612 315 1HB GLN 45 1HB GLN 45 28.264 23.275 -16.439 316 2HB GLN 45 2HB GLN 45 27.739 22.169 -15.179 317 1HG GLN 45 1HG GLN 45 30.147 21.121 -15.731 318 2HG GLN 45 2HG GLN 45 30.450 22.810 -16.135 319 2HE2 GLN 45 1HE2 GLN 45 31.274 20.953 -13.883 320 1HE2 GLN 45 2HE2 GLN 45 30.951 21.864 -12.451 321 H THR 46 H THR 46 25.758 22.002 -16.170 322 HA THR 46 HA THR 46 24.747 23.080 -18.686 323 HB THR 46 HB THR 46 22.683 21.847 -18.633 324 HG1 THR 46 HG1 THR 46 22.652 21.629 -16.280 325 1HG2 THR 46 1HG2 THR 46 24.754 20.794 -19.655 326 2HG2 THR 46 2HG2 THR 46 24.846 19.798 -18.202 327 3HG2 THR 46 3HG2 THR 46 23.437 19.690 -19.258 328 H TYR 47 H TYR 47 23.042 24.589 -18.414 329 HA TYR 47 HA TYR 47 22.552 25.371 -15.616 330 1HB TYR 47 1HB TYR 47 22.284 27.734 -16.793 331 2HB TYR 47 2HB TYR 47 23.848 27.144 -16.242 332 HD1 TYR 47 HD1 TYR 47 21.725 27.750 -19.181 333 HD2 TYR 47 HD2 TYR 47 25.572 26.553 -17.814 334 HE1 TYR 47 HE1 TYR 47 22.610 28.015 -21.459 335 HE2 TYR 47 HE2 TYR 47 26.468 26.817 -20.088 336 HH TYR 47 HH TYR 47 26.028 27.367 -22.190 337 H GLY 48 H GLY 48 21.223 25.055 -18.848 338 1HA GLY 48 1HA GLY 48 18.575 24.875 -17.787 339 2HA GLY 48 2HA GLY 48 18.835 26.380 -18.648 340 H GLY 49 H GLY 49 18.615 26.402 -20.803 341 1HA GLY 49 1HA GLY 49 18.603 25.574 -22.985 342 2HA GLY 49 2HA GLY 49 18.929 23.967 -22.352 343 H ASN 50 H ASN 50 17.304 22.549 -22.285 344 HA ASN 50 HA ASN 50 14.551 23.571 -22.404 345 1HB ASN 50 1HB ASN 50 15.760 22.524 -24.593 346 2HB ASN 50 2HB ASN 50 15.083 21.063 -23.878 347 2HD2 ASN 50 1HD2 ASN 50 12.736 21.606 -22.970 348 1HD2 ASN 50 2HD2 ASN 50 11.692 22.305 -24.156 349 H SER 51 H SER 51 16.701 21.854 -20.665 350 HA SER 51 HA SER 51 14.587 20.171 -19.509 351 1HB SER 51 1HB SER 51 16.387 18.948 -20.930 352 2HB SER 51 2HB SER 51 17.444 19.245 -19.550 353 HG SER 51 HG SER 51 15.998 18.097 -18.254 354 H ASN 52 H ASN 52 16.727 22.648 -18.991 355 HA ASN 52 HA ASN 52 17.271 23.807 -17.117 356 1HB ASN 52 1HB ASN 52 15.058 23.108 -16.259 357 2HB ASN 52 2HB ASN 52 15.794 21.645 -15.624 358 2HD2 ASN 52 1HD2 ASN 52 17.093 21.758 -13.809 359 1HD2 ASN 52 2HD2 ASN 52 17.163 23.161 -12.802 360 H GLY 53 H GLY 53 18.720 21.393 -18.244 361 1HA GLY 53 1HA GLY 53 21.058 21.084 -17.622 362 2HA GLY 53 2HA GLY 53 20.536 21.028 -15.946 363 H GLU 54 H GLU 54 20.563 19.068 -15.094 364 HA GLU 54 HA GLU 54 20.366 16.816 -14.833 365 1HB GLU 54 2HB GLU 54 18.886 15.560 -16.309 366 2HB GLU 54 1HB GLU 54 18.880 16.885 -17.464 367 1HG GLU 54 1HG GLU 54 17.840 17.081 -14.648 368 2HG GLU 54 2HG GLU 54 17.715 18.302 -15.915 369 HA PRO 55 HA PRO 55 23.666 14.933 -17.041 370 1HB PRO 55 2HB PRO 55 23.779 12.866 -16.117 371 2HB PRO 55 1HB PRO 55 22.384 12.309 -17.043 372 1HG PRO 55 1HG PRO 55 21.382 12.323 -14.975 373 2HG PRO 55 2HG PRO 55 22.496 13.549 -14.342 374 1HD PRO 55 2HD PRO 55 20.619 14.872 -14.635 375 2HD PRO 55 1HD PRO 55 20.032 13.903 -16.004 376 H CYS 56 H CYS 56 24.279 14.665 -19.109 377 HA CYS 56 HA CYS 56 22.292 14.667 -21.174 378 1HB CYS 56 1HB CYS 56 25.278 14.361 -21.495 379 2HB CYS 56 2HB CYS 56 24.129 14.910 -22.708 380 H VAL 57 H VAL 57 22.816 13.161 -23.163 381 HA VAL 57 HA VAL 57 23.196 10.419 -22.161 382 HB VAL 57 HB VAL 57 20.773 11.032 -22.522 383 1HG1 VAL 57 1HG1 VAL 57 21.793 11.958 -24.987 384 2HG1 VAL 57 2HG1 VAL 57 20.711 10.610 -25.336 385 3HG1 VAL 57 3HG1 VAL 57 20.128 11.992 -24.408 386 1HG2 VAL 57 1HG2 VAL 57 22.219 8.698 -23.261 387 2HG2 VAL 57 2HG2 VAL 57 20.565 8.826 -22.668 388 3HG2 VAL 57 3HG2 VAL 57 20.889 8.908 -24.400 389 H LEU 58 H LEU 58 25.390 11.215 -23.104 390 HA LEU 58 HA LEU 58 25.471 10.439 -25.946 391 1HB LEU 58 1HB LEU 58 27.798 11.930 -25.038 392 2HB LEU 58 2HB LEU 58 26.815 12.151 -26.470 393 HG LEU 58 HG LEU 58 25.154 13.383 -25.051 394 1HD1 LEU 58 1HD1 LEU 58 27.062 12.586 -22.989 395 2HD1 LEU 58 2HD1 LEU 58 26.635 14.297 -22.951 396 3HD1 LEU 58 3HD1 LEU 58 25.371 13.072 -22.851 397 1HD2 LEU 58 1HD2 LEU 58 27.608 14.225 -26.139 398 2HD2 LEU 58 2HD2 LEU 58 26.170 15.197 -25.833 399 3HD2 LEU 58 3HD2 LEU 58 27.421 15.066 -24.601 400 HA PRO 59 HA PRO 59 27.959 10.803 -27.050 401 1HB PRO 59 1HB PRO 59 28.629 8.268 -28.382 402 2HB PRO 59 2HB PRO 59 29.562 9.763 -28.285 403 1HG PRO 59 1HG PRO 59 30.293 7.553 -26.944 404 2HG PRO 59 2HG PRO 59 30.542 9.178 -26.278 405 1HD PRO 59 1HD PRO 59 28.409 7.174 -25.639 406 2HD PRO 59 2HD PRO 59 29.326 8.233 -24.544 407 H PHE 60 H PHE 60 26.139 11.342 -28.084 408 HA PHE 60 HA PHE 60 24.265 9.191 -28.826 409 1HB PHE 60 1HB PHE 60 22.585 11.073 -28.988 410 2HB PHE 60 2HB PHE 60 23.197 10.751 -27.370 411 HD1 PHE 60 HD1 PHE 60 24.295 12.799 -30.297 412 HD2 PHE 60 HD2 PHE 60 23.514 12.632 -26.116 413 HE1 PHE 60 HE1 PHE 60 24.969 15.152 -30.081 414 HE2 PHE 60 HE2 PHE 60 24.184 14.988 -25.897 415 HZ PHE 60 HZ PHE 60 24.915 16.246 -27.879 416 H THR 61 H THR 61 22.750 10.374 -30.714 417 HA THR 61 HA THR 61 24.625 11.155 -32.845 418 HB THR 61 HB THR 61 22.256 9.625 -33.706 419 HG1 THR 61 HG1 THR 61 23.049 8.496 -31.776 420 1HG2 THR 61 1HG2 THR 61 25.197 9.499 -34.381 421 2HG2 THR 61 2HG2 THR 61 23.922 8.609 -35.212 422 3HG2 THR 61 3HG2 THR 61 23.957 10.371 -35.282 423 H TYR 62 H TYR 62 23.991 12.829 -34.103 424 HA TYR 62 HA TYR 62 21.203 13.628 -34.188 425 1HB TYR 62 1HB TYR 62 21.683 14.902 -32.301 426 2HB TYR 62 2HB TYR 62 23.338 15.214 -32.806 427 HD1 TYR 62 HD1 TYR 62 19.874 15.886 -34.056 428 HD2 TYR 62 HD2 TYR 62 23.819 17.366 -33.463 429 HE1 TYR 62 HE1 TYR 62 19.185 18.067 -34.957 430 HE2 TYR 62 HE2 TYR 62 23.140 19.551 -34.362 431 HH TYR 62 HH TYR 62 19.798 20.290 -35.069 432 H ASN 63 H ASN 63 20.689 14.387 -36.132 433 HA ASN 63 HA ASN 63 20.851 15.271 -38.223 434 1HB ASN 63 1HB ASN 63 22.504 16.860 -36.758 435 2HB ASN 63 2HB ASN 63 23.627 16.234 -37.963 436 2HD2 ASN 63 1HD2 ASN 63 22.400 18.918 -37.489 437 1HD2 ASN 63 2HD2 ASN 63 21.722 19.364 -39.015 438 H GLY 64 H GLY 64 22.535 12.753 -37.109 439 1HA GLY 64 1HA GLY 64 22.989 10.951 -38.672 440 2HA GLY 64 2HA GLY 64 23.616 12.154 -39.787 441 H ARG 65 H ARG 65 24.902 13.378 -37.216 442 HA ARG 65 HA ARG 65 27.310 11.714 -37.403 443 1HB ARG 65 2HB ARG 65 27.559 14.098 -37.983 444 2HB ARG 65 1HB ARG 65 28.550 13.638 -36.607 445 1HG ARG 65 1HG ARG 65 25.946 14.618 -35.795 446 2HG ARG 65 2HG ARG 65 27.560 15.102 -35.277 447 1HD ARG 65 1HD ARG 65 26.064 16.831 -36.474 448 2HD ARG 65 2HD ARG 65 27.759 16.703 -36.939 449 HE ARG 65 HE ARG 65 26.047 15.047 -38.517 450 1HH1 ARG 65 1HH1 ARG 65 27.289 18.275 -38.124 451 2HH1 ARG 65 2HH1 ARG 65 27.059 18.707 -39.786 452 1HH2 ARG 65 1HH2 ARG 65 25.741 15.604 -40.711 453 2HH2 ARG 65 2HH2 ARG 65 26.178 17.189 -41.256 454 H THR 66 H THR 66 28.621 12.480 -35.089 455 HA THR 66 HA THR 66 26.834 11.675 -32.905 456 HB THR 66 HB THR 66 29.551 10.429 -33.079 457 HG1 THR 66 HG1 THR 66 27.273 9.094 -34.086 458 1HG2 THR 66 1HG2 THR 66 28.014 10.376 -31.030 459 2HG2 THR 66 2HG2 THR 66 27.011 9.269 -31.967 460 3HG2 THR 66 3HG2 THR 66 28.680 8.842 -31.585 461 H PHE 67 H PHE 67 27.589 12.181 -30.790 462 HA PHE 67 HA PHE 67 29.970 13.856 -30.579 463 1HB PHE 67 1HB PHE 67 27.435 14.866 -29.333 464 2HB PHE 67 2HB PHE 67 28.908 15.747 -29.721 465 HD1 PHE 67 HD1 PHE 67 26.065 13.975 -31.342 466 HD2 PHE 67 HD2 PHE 67 28.991 17.051 -31.619 467 HE1 PHE 67 HE1 PHE 67 25.027 14.769 -33.427 468 HE2 PHE 67 HE2 PHE 67 27.958 17.853 -33.702 469 HZ PHE 67 HZ PHE 67 25.975 16.713 -34.609 470 H TYR 68 H TYR 68 31.069 13.434 -28.763 471 HA TYR 68 HA TYR 68 29.838 11.691 -26.768 472 1HB TYR 68 1HB TYR 68 32.705 12.524 -27.248 473 2HB TYR 68 2HB TYR 68 32.197 11.509 -25.903 474 HD1 TYR 68 HD1 TYR 68 31.286 11.514 -29.535 475 HD2 TYR 68 HD2 TYR 68 32.944 9.360 -26.263 476 HE1 TYR 68 HE1 TYR 68 31.504 9.523 -30.961 477 HE2 TYR 68 HE2 TYR 68 33.175 7.370 -27.680 478 HH TYR 68 HH TYR 68 32.030 7.360 -31.040 479 H SER 69 H SER 69 29.519 14.727 -27.138 480 HA SER 69 HA SER 69 29.240 15.376 -24.402 481 1HB SER 69 1HB SER 69 31.547 16.706 -25.847 482 2HB SER 69 2HB SER 69 30.913 17.202 -24.278 483 HG SER 69 HG SER 69 32.811 15.700 -24.371 484 H CYS 70 H CYS 70 28.960 17.959 -24.272 485 HA CYS 70 HA CYS 70 26.695 18.621 -25.659 486 1HB CYS 70 2HB CYS 70 27.135 20.938 -25.024 487 2HB CYS 70 1HB CYS 70 28.817 20.551 -24.699 488 H THR 71 H THR 71 26.491 20.543 -27.216 489 HA THR 71 HA THR 71 28.594 21.084 -29.039 490 HB THR 71 HB THR 71 28.070 18.725 -29.696 491 HG1 THR 71 HG1 THR 71 28.155 19.223 -31.870 492 1HG2 THR 71 1HG2 THR 71 25.375 19.945 -30.083 493 2HG2 THR 71 2HG2 THR 71 25.897 18.666 -31.180 494 3HG2 THR 71 3HG2 THR 71 25.811 18.361 -29.445 495 H THR 72 H THR 72 27.922 22.446 -30.813 496 HA THR 72 HA THR 72 25.286 23.685 -30.376 497 HB THR 72 HB THR 72 26.754 25.707 -31.484 498 HG1 THR 72 HG1 THR 72 28.640 24.228 -31.040 499 1HG2 THR 72 1HG2 THR 72 26.013 24.985 -28.684 500 2HG2 THR 72 2HG2 THR 72 27.021 26.405 -28.961 501 3HG2 THR 72 3HG2 THR 72 25.421 26.302 -29.695 502 H GLU 73 H GLU 73 24.878 21.919 -32.075 503 HA GLU 73 HA GLU 73 25.377 23.021 -34.768 504 1HB GLU 73 1HB GLU 73 25.473 20.250 -33.706 505 2HB GLU 73 2HB GLU 73 24.825 20.465 -35.324 506 1HG GLU 73 1HG GLU 73 27.434 21.712 -34.600 507 2HG GLU 73 2HG GLU 73 27.356 19.992 -34.976 508 H GLY 74 H GLY 74 23.128 23.249 -32.704 509 1HA GLY 74 1HA GLY 74 20.991 23.538 -34.470 510 2HA GLY 74 2HA GLY 74 20.840 21.956 -33.724 511 H ARG 75 H ARG 75 21.331 25.364 -32.901 512 HA ARG 75 HA ARG 75 19.450 25.028 -30.681 513 1HB ARG 75 1HB ARG 75 20.903 26.427 -29.235 514 2HB ARG 75 2HB ARG 75 21.629 24.881 -29.651 515 1HG ARG 75 1HG ARG 75 22.271 27.226 -31.354 516 2HG ARG 75 2HG ARG 75 22.990 27.133 -29.748 517 1HD ARG 75 1HD ARG 75 24.096 25.127 -30.239 518 2HD ARG 75 2HD ARG 75 23.110 24.828 -31.662 519 HE ARG 75 HE ARG 75 25.278 26.804 -31.445 520 1HH1 ARG 75 1HH1 ARG 75 23.042 25.012 -33.449 521 2HH1 ARG 75 2HH1 ARG 75 23.833 25.449 -34.920 522 1HH2 ARG 75 1HH2 ARG 75 26.306 27.366 -33.379 523 2HH2 ARG 75 2HH2 ARG 75 25.680 26.780 -34.885 524 H GLN 76 H GLN 76 19.420 27.544 -29.665 525 HA GLN 76 HA GLN 76 18.158 29.012 -31.819 526 1HB GLN 76 1HB GLN 76 18.395 29.673 -28.880 527 2HB GLN 76 2HB GLN 76 17.399 30.535 -30.045 528 1HG GLN 76 1HG GLN 76 16.175 28.386 -30.444 529 2HG GLN 76 2HG GLN 76 17.065 27.708 -29.081 530 2HE2 GLN 76 1HE2 GLN 76 17.067 29.573 -27.219 531 1HE2 GLN 76 2HE2 GLN 76 15.464 30.021 -26.755 532 H ASP 77 H ASP 77 20.341 30.098 -29.216 533 HA ASP 77 HA ASP 77 21.349 32.194 -30.952 534 1HB ASP 77 1HB ASP 77 20.817 32.776 -28.646 535 2HB ASP 77 2HB ASP 77 21.936 31.550 -28.055 536 H GLY 78 H GLY 78 22.619 29.420 -29.153 537 1HA GLY 78 1HA GLY 78 24.258 28.164 -30.701 538 2HA GLY 78 2HA GLY 78 25.143 29.679 -30.636 539 H HIS 79 H HIS 79 23.395 28.118 -28.004 540 HA HIS 79 HA HIS 79 25.863 28.119 -26.436 541 1HB HIS 79 1HB HIS 79 23.077 27.491 -25.459 542 2HB HIS 79 2HB HIS 79 24.478 27.941 -24.494 543 HD1 HIS 79 HD1 HIS 79 25.343 30.431 -26.170 544 HD2 HIS 79 HD2 HIS 79 21.470 29.635 -24.891 545 HE1 HIS 79 HE1 HIS 79 24.179 32.660 -26.124 546 HE2 HIS 79 HE2 HIS 79 21.839 32.157 -25.337 547 H LEU 80 H LEU 80 26.914 26.302 -25.865 548 HA LEU 80 HA LEU 80 26.630 23.894 -27.107 549 1HB LEU 80 1HB LEU 80 27.764 24.665 -24.445 550 2HB LEU 80 2HB LEU 80 27.678 22.971 -24.884 551 HG LEU 80 HG LEU 80 29.088 23.354 -26.824 552 1HD1 LEU 80 1HD1 LEU 80 28.874 26.232 -25.993 553 2HD1 LEU 80 2HD1 LEU 80 30.177 25.640 -27.023 554 3HD1 LEU 80 3HD1 LEU 80 28.501 25.508 -27.557 555 1HD2 LEU 80 1HD2 LEU 80 29.985 23.102 -24.396 556 2HD2 LEU 80 2HD2 LEU 80 31.093 23.540 -25.696 557 3HD2 LEU 80 3HD2 LEU 80 30.484 24.782 -24.602 558 H TRP 81 H TRP 81 24.964 22.545 -27.201 559 HA TRP 81 HA TRP 81 23.295 22.212 -24.796 560 1HB TRP 81 1HB TRP 81 21.426 21.687 -26.297 561 2HB TRP 81 2HB TRP 81 22.084 23.285 -26.640 562 HD1 TRP 81 HD1 TRP 81 23.048 23.713 -29.035 563 HE1 TRP 81 HE1 TRP 81 23.164 22.305 -31.177 564 HE3 TRP 81 HE3 TRP 81 21.712 19.167 -27.107 565 HZ2 TRP 81 HZ2 TRP 81 22.746 19.627 -31.962 566 HZ3 TRP 81 HZ3 TRP 81 21.594 17.233 -28.624 567 HH2 TRP 81 HH2 TRP 81 22.101 17.460 -31.001 568 H CYS 82 H CYS 82 22.282 20.106 -24.541 569 HA CYS 82 HA CYS 82 23.521 17.873 -25.932 570 1HB CYS 82 1HB CYS 82 24.532 16.880 -24.100 571 2HB CYS 82 2HB CYS 82 24.860 18.582 -23.798 572 H SER 83 H SER 83 22.455 15.804 -25.400 573 HA SER 83 HA SER 83 19.611 16.267 -24.875 574 1HB SER 83 2HB SER 83 20.214 15.163 -26.988 575 2HB SER 83 1HB SER 83 19.254 14.097 -25.963 576 HG SER 83 HG SER 83 20.998 12.949 -26.772 577 H THR 84 H THR 84 18.643 15.560 -23.082 578 HA THR 84 HA THR 84 20.209 14.145 -21.103 579 HB THR 84 HB THR 84 18.587 14.711 -19.529 580 HG1 THR 84 HG1 THR 84 16.435 15.193 -20.089 581 1HG2 THR 84 1HG2 THR 84 19.380 16.706 -21.400 582 2HG2 THR 84 2HG2 THR 84 17.732 17.061 -20.878 583 3HG2 THR 84 3HG2 THR 84 19.017 16.891 -19.683 584 H THR 85 H THR 85 18.663 13.069 -23.702 585 HA THR 85 HA THR 85 18.309 10.440 -22.612 586 HB THR 85 HB THR 85 15.976 12.163 -22.967 587 HG1 THR 85 HG1 THR 85 16.639 10.785 -21.124 588 1HG2 THR 85 1HG2 THR 85 15.839 10.890 -25.112 589 2HG2 THR 85 2HG2 THR 85 15.802 9.397 -24.174 590 3HG2 THR 85 3HG2 THR 85 14.497 10.573 -24.013 591 H SER 86 H SER 86 18.687 8.914 -24.114 592 HA SER 86 HA SER 86 19.935 9.351 -26.464 593 1HB SER 86 1HB SER 86 19.997 7.115 -26.266 594 2HB SER 86 2HB SER 86 18.536 7.100 -25.278 595 HG SER 86 HG SER 86 18.540 6.027 -27.466 596 H ASN 87 H ASN 87 16.421 8.862 -26.157 597 HA ASN 87 HA ASN 87 15.937 9.427 -28.920 598 1HB ASN 87 1HB ASN 87 14.468 8.357 -26.753 599 2HB ASN 87 2HB ASN 87 13.581 9.769 -27.318 600 2HD2 ASN 87 1HD2 ASN 87 14.298 9.653 -30.021 601 1HD2 ASN 87 2HD2 ASN 87 13.538 8.270 -30.725 602 H TYR 88 H TYR 88 17.076 11.493 -29.021 603 HA TYR 88 HA TYR 88 15.915 13.752 -27.645 604 1HB TYR 88 1HB TYR 88 18.249 13.940 -27.992 605 2HB TYR 88 2HB TYR 88 18.119 13.446 -29.677 606 HD1 TYR 88 HD1 TYR 88 17.424 16.207 -27.314 607 HD2 TYR 88 HD2 TYR 88 17.741 15.035 -31.390 608 HE1 TYR 88 HE1 TYR 88 17.330 18.569 -27.994 609 HE2 TYR 88 HE2 TYR 88 17.651 17.393 -32.083 610 HH TYR 88 HH TYR 88 16.606 19.613 -30.921 611 H GLU 89 H GLU 89 15.894 12.354 -30.867 612 HA GLU 89 HA GLU 89 14.502 14.471 -32.135 613 1HB GLU 89 1HB GLU 89 14.588 11.552 -32.914 614 2HB GLU 89 2HB GLU 89 14.141 12.894 -33.958 615 1HG GLU 89 1HG GLU 89 16.416 13.798 -33.735 616 2HG GLU 89 2HG GLU 89 16.852 12.407 -32.744 617 H GLN 90 H GLN 90 13.525 12.175 -29.873 618 HA GLN 90 HA GLN 90 10.737 12.200 -30.755 619 1HB GLN 90 1HB GLN 90 11.302 10.026 -30.142 620 2HB GLN 90 2HB GLN 90 12.296 10.560 -28.794 621 1HG GLN 90 1HG GLN 90 10.380 9.562 -27.860 622 2HG GLN 90 2HG GLN 90 10.179 11.303 -27.664 623 2HE2 GLN 90 1HE2 GLN 90 8.344 12.174 -28.331 624 1HE2 GLN 90 2HE2 GLN 90 7.183 11.417 -29.363 625 H ASP 91 H ASP 91 12.626 12.861 -27.827 626 HA ASP 91 HA ASP 91 10.397 14.390 -26.724 627 1HB ASP 91 1HB ASP 91 11.757 12.702 -25.370 628 2HB ASP 91 2HB ASP 91 13.062 13.884 -25.404 629 H GLN 92 H GLN 92 13.763 14.803 -27.709 630 HA GLN 92 HA GLN 92 14.812 16.663 -28.556 631 1HB GLN 92 1HB GLN 92 12.408 18.303 -27.760 632 2HB GLN 92 2HB GLN 92 13.657 18.717 -28.926 633 1HG GLN 92 1HG GLN 92 11.976 16.297 -29.371 634 2HG GLN 92 2HG GLN 92 11.326 17.896 -29.731 635 2HE2 GLN 92 1HE2 GLN 92 12.473 19.212 -31.263 636 1HE2 GLN 92 2HE2 GLN 92 13.400 18.466 -32.516 637 H LYS 93 H LYS 93 13.641 16.222 -25.442 638 HA LYS 93 HA LYS 93 14.390 18.446 -24.015 639 1HB LYS 93 1HB LYS 93 14.336 17.125 -22.114 640 2HB LYS 93 2HB LYS 93 13.360 16.186 -23.232 641 1HG LYS 93 1HG LYS 93 16.270 15.684 -22.643 642 2HG LYS 93 2HG LYS 93 14.919 14.811 -21.925 643 1HD LYS 93 1HD LYS 93 14.707 13.497 -23.714 644 2HD LYS 93 2HD LYS 93 14.729 14.875 -24.813 645 1HE LYS 93 1HE LYS 93 17.346 14.399 -23.708 646 2HE LYS 93 2HE LYS 93 16.717 12.944 -24.477 647 1HZ LYS 93 1HZ LYS 93 16.136 15.035 -26.185 648 2HZ LYS 93 2HZ LYS 93 17.730 15.292 -25.681 649 3HZ LYS 93 3HZ LYS 93 17.297 13.825 -26.403 650 H TYR 94 H TYR 94 16.212 19.550 -24.008 651 HA TYR 94 HA TYR 94 18.755 18.085 -23.986 652 1HB TYR 94 1HB TYR 94 19.732 19.455 -25.642 653 2HB TYR 94 2HB TYR 94 18.146 19.038 -26.284 654 HD1 TYR 94 HD1 TYR 94 19.846 21.720 -24.315 655 HD2 TYR 94 HD2 TYR 94 16.794 20.727 -27.108 656 HE1 TYR 94 HE1 TYR 94 19.343 24.111 -24.607 657 HE2 TYR 94 HE2 TYR 94 16.282 23.112 -27.406 658 HH TYR 94 HH TYR 94 17.937 25.418 -26.978 659 H SER 95 H SER 95 20.571 19.371 -23.178 660 HA SER 95 HA SER 95 19.731 21.589 -21.438 661 1HB SER 95 1HB SER 95 21.904 20.181 -20.219 662 2HB SER 95 2HB SER 95 20.277 20.444 -19.594 663 HG SER 95 HG SER 95 21.363 18.179 -20.462 664 H PHE 96 H PHE 96 21.030 23.331 -21.455 665 HA PHE 96 HA PHE 96 23.055 23.542 -23.428 666 1HB PHE 96 1HB PHE 96 22.018 25.346 -21.272 667 2HB PHE 96 2HB PHE 96 23.494 25.773 -22.131 668 HD1 PHE 96 HD1 PHE 96 22.836 24.787 -24.844 669 HD2 PHE 96 HD2 PHE 96 20.489 26.934 -22.019 670 HE1 PHE 96 HE1 PHE 96 21.500 25.733 -26.679 671 HE2 PHE 96 HE2 PHE 96 19.147 27.884 -23.850 672 HZ PHE 96 HZ PHE 96 19.653 27.283 -26.183 673 H CYS 97 H CYS 97 25.198 24.744 -22.629 674 HA CYS 97 HA CYS 97 26.325 23.569 -20.240 675 1HB CYS 97 1HB CYS 97 27.750 22.954 -22.809 676 2HB CYS 97 2HB CYS 97 27.953 22.212 -21.228 677 H THR 98 H THR 98 27.956 24.763 -19.424 678 HA THR 98 HA THR 98 28.461 27.332 -20.538 679 HB THR 98 HB THR 98 30.236 27.376 -18.654 680 HG1 THR 98 HG1 THR 98 30.007 25.755 -17.118 681 1HG2 THR 98 1HG2 THR 98 27.271 27.194 -18.314 682 2HG2 THR 98 2HG2 THR 98 28.309 27.431 -16.910 683 3HG2 THR 98 3HG2 THR 98 28.321 28.607 -18.223 684 H ASP 99 H ASP 99 31.141 25.477 -19.292 685 HA ASP 99 HA ASP 99 33.059 24.675 -20.267 686 1HB ASP 99 1HB ASP 99 31.280 24.547 -22.384 687 2HB ASP 99 2HB ASP 99 32.586 25.548 -23.014 688 H HIS 100 H HIS 100 32.061 27.507 -22.200 689 HA HIS 100 HA HIS 100 32.961 29.601 -22.362 690 1HB HIS 100 1HB HIS 100 33.501 28.990 -19.782 691 2HB HIS 100 2HB HIS 100 35.137 29.153 -20.410 692 HD1 HIS 100 HD1 HIS 100 31.954 31.138 -19.986 693 HD2 HIS 100 HD2 HIS 100 35.981 31.738 -20.818 694 HE1 HIS 100 HE1 HIS 100 32.298 33.627 -19.887 695 HE2 HIS 100 HE2 HIS 100 34.717 33.971 -20.499 696 H THR 101 H THR 101 35.547 27.260 -21.670 697 HA THR 101 HA THR 101 36.895 28.166 -24.129 698 HB THR 101 HB THR 101 39.000 27.891 -23.163 699 HG1 THR 101 HG1 THR 101 39.246 26.765 -21.125 700 1HG2 THR 101 1HG2 THR 101 37.052 28.997 -21.171 701 2HG2 THR 101 2HG2 THR 101 38.773 28.917 -20.793 702 3HG2 THR 101 3HG2 THR 101 38.218 29.852 -22.181 No H/Q in entry = 702 Start of MODEL 36 1 H1 TYR 1 H1 TYR 1 51.060 6.069 -44.590 2 H2 TYR 1 H2 TYR 1 50.726 5.991 -46.248 3 H3 TYR 1 H3 TYR 1 50.320 7.377 -45.366 4 HA TYR 1 HA TYR 1 48.345 6.116 -45.778 5 1HB TYR 1 1HB TYR 1 48.312 3.800 -44.586 6 2HB TYR 1 2HB TYR 1 49.094 3.940 -46.157 7 HD1 TYR 1 HD1 TYR 1 51.653 4.325 -46.150 8 HD2 TYR 1 HD2 TYR 1 49.477 2.903 -42.782 9 HE1 TYR 1 HE1 TYR 1 53.730 3.417 -45.199 10 HE2 TYR 1 HE2 TYR 1 51.549 1.992 -41.821 11 HH TYR 1 HH TYR 1 53.801 1.212 -42.701 12 H GLY 2 H GLY 2 50.313 5.665 -42.842 13 1HA GLY 2 1HA GLY 2 49.929 6.280 -40.665 14 2HA GLY 2 2HA GLY 2 48.758 7.433 -41.287 15 H HIS 3 H HIS 3 49.060 4.996 -39.189 16 HA HIS 3 HA HIS 3 46.207 4.386 -39.311 17 1HB HIS 3 1HB HIS 3 48.375 2.493 -39.810 18 2HB HIS 3 2HB HIS 3 47.300 1.975 -38.519 19 HD1 HIS 3 HD1 HIS 3 47.452 2.510 -42.194 20 HD2 HIS 3 HD2 HIS 3 44.647 1.414 -39.332 21 HE1 HIS 3 HE1 HIS 3 45.499 1.591 -43.484 22 HE2 HIS 3 HE2 HIS 3 43.782 1.008 -41.735 23 H CYS 4 H CYS 4 45.288 3.823 -37.304 24 HA CYS 4 HA CYS 4 47.051 4.254 -34.983 25 1HB CYS 4 1HB CYS 4 44.736 5.118 -33.977 26 2HB CYS 4 2HB CYS 4 45.841 6.175 -34.839 27 H VAL 5 H VAL 5 47.062 2.671 -33.533 28 HA VAL 5 HA VAL 5 44.787 0.794 -33.489 29 HB VAL 5 HB VAL 5 47.699 0.097 -33.075 30 1HG1 VAL 5 1HG1 VAL 5 45.223 -1.625 -33.092 31 2HG1 VAL 5 2HG1 VAL 5 46.878 -2.233 -33.061 32 3HG1 VAL 5 3HG1 VAL 5 46.261 -1.283 -31.708 33 1HG2 VAL 5 1HG2 VAL 5 45.949 0.089 -35.441 34 2HG2 VAL 5 2HG2 VAL 5 47.708 0.169 -35.327 35 3HG2 VAL 5 3HG2 VAL 5 46.885 -1.384 -35.186 36 H THR 6 H THR 6 43.724 1.184 -31.652 37 HA THR 6 HA THR 6 44.734 2.402 -29.361 38 HB THR 6 HB THR 6 42.708 1.923 -28.308 39 HG1 THR 6 HG1 THR 6 42.414 -0.347 -30.010 40 1HG2 THR 6 1HG2 THR 6 42.661 2.646 -31.014 41 2HG2 THR 6 2HG2 THR 6 41.357 1.477 -30.815 42 3HG2 THR 6 3HG2 THR 6 41.401 2.927 -29.813 43 H ASP 7 H ASP 7 43.821 0.629 -27.293 44 HA ASP 7 HA ASP 7 46.067 -0.498 -26.336 45 1HB ASP 7 1HB ASP 7 43.220 -0.937 -25.906 46 2HB ASP 7 2HB ASP 7 44.169 -2.389 -25.596 47 H SER 8 H SER 8 43.640 -2.629 -27.803 48 HA SER 8 HA SER 8 45.278 -3.803 -29.731 49 1HB SER 8 1HB SER 8 45.975 -5.875 -28.713 50 2HB SER 8 2HB SER 8 46.559 -4.551 -27.705 51 HG SER 8 HG SER 8 44.195 -6.054 -27.236 52 H GLY 9 H GLY 9 42.884 -3.166 -30.221 53 1HA GLY 9 1HA GLY 9 41.394 -5.687 -30.291 54 2HA GLY 9 2HA GLY 9 40.592 -4.286 -29.602 55 H VAL 10 H VAL 10 41.701 -2.361 -31.416 56 HA VAL 10 HA VAL 10 40.510 -3.212 -33.970 57 HB VAL 10 HB VAL 10 40.160 -0.414 -32.938 58 1HG1 VAL 10 1HG1 VAL 10 39.262 -1.996 -35.233 59 2HG1 VAL 10 2HG1 VAL 10 37.990 -1.054 -34.455 60 3HG1 VAL 10 3HG1 VAL 10 39.440 -0.250 -35.055 61 1HG2 VAL 10 1HG2 VAL 10 39.054 -2.688 -31.716 62 2HG2 VAL 10 2HG2 VAL 10 38.609 -1.001 -31.459 63 3HG2 VAL 10 3HG2 VAL 10 37.761 -1.963 -32.670 64 H VAL 11 H VAL 11 41.073 -1.695 -35.778 65 HA VAL 11 HA VAL 11 43.780 -0.587 -35.428 66 HB VAL 11 HB VAL 11 42.768 -2.025 -37.885 67 1HG1 VAL 11 1HG1 VAL 11 44.734 -0.100 -37.665 68 2HG1 VAL 11 2HG1 VAL 11 45.631 -1.618 -37.619 69 3HG1 VAL 11 3HG1 VAL 11 44.560 -1.268 -38.976 70 1HG2 VAL 11 1HG2 VAL 11 43.739 -3.105 -35.480 71 2HG2 VAL 11 2HG2 VAL 11 43.487 -3.940 -37.013 72 3HG2 VAL 11 3HG2 VAL 11 45.058 -3.229 -36.644 73 H TYR 12 H TYR 12 42.585 1.407 -35.067 74 HA TYR 12 HA TYR 12 40.929 2.612 -36.984 75 1HB TYR 12 1HB TYR 12 42.702 3.823 -34.857 76 2HB TYR 12 2HB TYR 12 41.538 4.746 -35.800 77 HD1 TYR 12 HD1 TYR 12 39.926 1.785 -35.546 78 HD2 TYR 12 HD2 TYR 12 41.199 4.968 -33.029 79 HE1 TYR 12 HE1 TYR 12 38.165 1.201 -33.932 80 HE2 TYR 12 HE2 TYR 12 39.439 4.391 -31.405 81 HH TYR 12 HH TYR 12 37.640 1.482 -31.598 82 H SER 13 H SER 13 41.637 4.840 -37.963 83 HA SER 13 HA SER 13 44.292 4.577 -39.190 84 1HB SER 13 1HB SER 13 41.681 4.474 -40.519 85 2HB SER 13 2HB SER 13 42.776 5.668 -41.216 86 HG SER 13 HG SER 13 43.390 3.892 -42.242 87 H VAL 14 H VAL 14 45.163 6.548 -40.044 88 HA VAL 14 HA VAL 14 45.177 8.697 -38.404 89 HB VAL 14 HB VAL 14 46.815 8.699 -40.067 90 1HG1 VAL 14 1HG1 VAL 14 44.544 8.339 -41.984 91 2HG1 VAL 14 2HG1 VAL 14 46.119 8.909 -42.538 92 3HG1 VAL 14 3HG1 VAL 14 45.975 7.338 -41.751 93 1HG2 VAL 14 1HG2 VAL 14 45.231 10.944 -39.753 94 2HG2 VAL 14 2HG2 VAL 14 46.845 10.894 -40.465 95 3HG2 VAL 14 3HG2 VAL 14 45.420 10.803 -41.500 96 H GLY 15 H GLY 15 43.119 9.208 -37.618 97 1HA GLY 15 1HA GLY 15 41.609 11.106 -37.772 98 2HA GLY 15 2HA GLY 15 41.486 10.789 -39.494 99 H MET 16 H MET 16 41.251 8.517 -36.784 100 HA MET 16 HA MET 16 38.752 7.523 -37.880 101 1HB MET 16 1HB MET 16 40.194 5.788 -37.217 102 2HB MET 16 2HB MET 16 40.605 6.587 -35.705 103 1HG MET 16 1HG MET 16 39.054 4.550 -35.635 104 2HG MET 16 2HG MET 16 38.619 5.971 -34.688 105 1HE MET 16 1HE MET 16 38.699 5.247 -38.275 106 2HE MET 16 2HE MET 16 37.077 4.710 -38.711 107 3HE MET 16 3HE MET 16 37.477 6.428 -38.744 108 H GLN 17 H GLN 17 39.921 8.965 -34.853 109 HA GLN 17 HA GLN 17 38.842 10.165 -33.243 110 1HB GLN 17 1HB GLN 17 37.052 10.401 -35.570 111 2HB GLN 17 2HB GLN 17 36.264 10.636 -34.016 112 1HG GLN 17 1HG GLN 17 38.262 12.239 -33.555 113 2HG GLN 17 2HG GLN 17 38.413 12.244 -35.312 114 2HE2 GLN 17 1HE2 GLN 17 36.825 13.544 -32.642 115 1HE2 GLN 17 2HE2 GLN 17 35.611 14.441 -33.483 116 H TRP 18 H TRP 18 37.958 9.486 -31.377 117 HA TRP 18 HA TRP 18 35.682 7.807 -31.195 118 1HB TRP 18 1HB TRP 18 36.680 5.746 -30.466 119 2HB TRP 18 2HB TRP 18 37.396 6.168 -32.019 120 HD1 TRP 18 HD1 TRP 18 38.261 5.719 -28.341 121 HE1 TRP 18 HE1 TRP 18 40.811 5.800 -28.066 122 HE3 TRP 18 HE3 TRP 18 39.561 7.217 -33.070 123 HZ2 TRP 18 HZ2 TRP 18 43.076 6.429 -29.629 124 HZ3 TRP 18 HZ3 TRP 18 41.937 7.532 -33.588 125 HH2 TRP 18 HH2 TRP 18 43.658 7.141 -31.909 126 H LEU 19 H LEU 19 35.905 6.640 -28.808 127 HA LEU 19 HA LEU 19 36.726 8.805 -26.985 128 1HB LEU 19 2HB LEU 19 34.889 8.230 -25.529 129 2HB LEU 19 1HB LEU 19 34.458 6.865 -26.540 130 HG LEU 19 HG LEU 19 32.918 8.761 -26.814 131 1HD1 LEU 19 1HD1 LEU 19 34.721 10.495 -26.406 132 2HD1 LEU 19 2HD1 LEU 19 35.187 10.262 -28.091 133 3HD1 LEU 19 3HD1 LEU 19 33.569 10.844 -27.695 134 1HD2 LEU 19 1HD2 LEU 19 33.947 7.166 -28.747 135 2HD2 LEU 19 2HD2 LEU 19 32.613 8.296 -28.986 136 3HD2 LEU 19 3HD2 LEU 19 34.255 8.766 -29.424 137 H LYS 20 H LYS 20 38.583 8.129 -26.111 138 HA LYS 20 HA LYS 20 39.098 5.344 -25.612 139 1HB LYS 20 1HB LYS 20 40.899 6.830 -26.321 140 2HB LYS 20 2HB LYS 20 40.682 7.810 -24.878 141 1HG LYS 20 1HG LYS 20 42.474 6.523 -24.281 142 2HG LYS 20 2HG LYS 20 41.138 5.569 -23.632 143 1HD LYS 20 1HD LYS 20 41.691 4.885 -26.387 144 2HD LYS 20 2HD LYS 20 43.125 4.698 -25.375 145 1HE LYS 20 1HE LYS 20 41.246 3.580 -23.787 146 2HE LYS 20 2HE LYS 20 40.595 3.192 -25.379 147 1HZ LYS 20 1HZ LYS 20 43.031 2.442 -25.824 148 2HZ LYS 20 2HZ LYS 20 43.110 2.320 -24.138 149 3HZ LYS 20 3HZ LYS 20 41.968 1.417 -25.000 150 H THR 21 H THR 21 39.353 4.327 -23.642 151 HA THR 21 HA THR 21 38.093 5.689 -21.350 152 HB THR 21 HB THR 21 38.297 2.714 -21.445 153 HG1 THR 21 HG1 THR 21 37.455 3.422 -23.525 154 1HG2 THR 21 1HG2 THR 21 37.011 4.673 -19.853 155 2HG2 THR 21 2HG2 THR 21 35.751 3.752 -20.675 156 3HG2 THR 21 3HG2 THR 21 36.949 2.918 -19.684 157 H GLN 22 H GLN 22 38.757 4.306 -19.245 158 HA GLN 22 HA GLN 22 41.616 3.734 -19.259 159 1HB GLN 22 1HB GLN 22 40.418 5.727 -17.333 160 2HB GLN 22 2HB GLN 22 42.106 5.246 -17.438 161 1HG GLN 22 1HG GLN 22 41.363 6.169 -19.991 162 2HG GLN 22 2HG GLN 22 40.732 7.327 -18.819 163 2HE2 GLN 22 1HE2 GLN 22 43.492 6.117 -20.407 164 1HE2 GLN 22 2HE2 GLN 22 44.666 7.128 -19.641 165 H GLY 23 H GLY 23 38.580 3.829 -17.459 166 1HA GLY 23 1HA GLY 23 39.009 1.204 -16.427 167 2HA GLY 23 2HA GLY 23 39.258 2.423 -15.190 168 H ASN 24 H ASN 24 37.411 4.117 -15.162 169 HA ASN 24 HA ASN 24 34.825 2.782 -15.574 170 1HB ASN 24 1HB ASN 24 36.053 3.290 -13.069 171 2HB ASN 24 2HB ASN 24 34.703 4.410 -13.224 172 2HD2 ASN 24 1HD2 ASN 24 34.200 2.897 -11.302 173 1HD2 ASN 24 2HD2 ASN 24 33.190 1.546 -11.677 174 H LYS 25 H LYS 25 36.586 5.217 -16.571 175 HA LYS 25 HA LYS 25 34.341 7.126 -16.597 176 1HB LYS 25 1HB LYS 25 37.224 7.913 -16.950 177 2HB LYS 25 2HB LYS 25 35.850 8.942 -16.568 178 1HG LYS 25 1HG LYS 25 35.892 8.420 -14.357 179 2HG LYS 25 2HG LYS 25 36.524 6.797 -14.639 180 1HD LYS 25 1HD LYS 25 38.353 7.831 -13.700 181 2HD LYS 25 2HD LYS 25 38.663 8.085 -15.417 182 1HE LYS 25 1HE LYS 25 38.997 10.211 -14.672 183 2HE LYS 25 2HE LYS 25 37.261 10.286 -14.968 184 1HZ LYS 25 1HZ LYS 25 38.130 9.406 -12.324 185 2HZ LYS 25 2HZ LYS 25 38.330 11.044 -12.693 186 3HZ LYS 25 3HZ LYS 25 36.793 10.342 -12.766 187 H GLN 26 H GLN 26 35.274 8.861 -18.517 188 HA GLN 26 HA GLN 26 35.740 7.235 -20.908 189 1HB GLN 26 1HB GLN 26 33.254 8.540 -20.213 190 2HB GLN 26 2HB GLN 26 33.903 9.193 -21.710 191 1HG GLN 26 2HG GLN 26 32.537 7.445 -22.396 192 2HG GLN 26 1HG GLN 26 33.067 6.391 -21.087 193 2HE2 GLN 26 1HE2 GLN 26 33.898 4.696 -22.123 194 1HE2 GLN 26 2HE2 GLN 26 35.167 4.769 -23.293 195 H MET 27 H MET 27 36.706 8.332 -22.632 196 HA MET 27 HA MET 27 37.365 11.146 -22.307 197 1HB MET 27 1HB MET 27 39.129 9.372 -21.297 198 2HB MET 27 2HB MET 27 39.696 9.452 -22.960 199 1HG MET 27 1HG MET 27 39.337 12.092 -22.317 200 2HG MET 27 2HG MET 27 39.919 11.394 -20.806 201 1HE MET 27 1HE MET 27 41.826 11.571 -20.172 202 2HE MET 27 2HE MET 27 43.209 10.740 -20.886 203 3HE MET 27 3HE MET 27 43.031 12.485 -21.079 204 H LEU 28 H LEU 28 38.175 12.131 -24.240 205 HA LEU 28 HA LEU 28 37.331 10.679 -26.644 206 1HB LEU 28 1HB LEU 28 36.303 12.834 -26.363 207 2HB LEU 28 2HB LEU 28 37.863 13.602 -26.128 208 HG LEU 28 HG LEU 28 38.209 12.501 -28.584 209 1HD1 LEU 28 1HD1 LEU 28 35.480 12.236 -28.141 210 2HD1 LEU 28 2HD1 LEU 28 35.638 13.652 -29.180 211 3HD1 LEU 28 3HD1 LEU 28 36.326 12.109 -29.683 212 1HD2 LEU 28 1HD2 LEU 28 38.240 14.982 -27.508 213 2HD2 LEU 28 2HD2 LEU 28 38.462 14.646 -29.225 214 3HD2 LEU 28 3HD2 LEU 28 36.876 15.123 -28.618 215 H CYS 29 H CYS 29 38.824 9.757 -27.877 216 HA CYS 29 HA CYS 29 41.529 10.917 -27.887 217 1HB CYS 29 1HB CYS 29 41.256 8.648 -26.755 218 2HB CYS 29 2HB CYS 29 40.948 8.010 -28.363 219 H THR 30 H THR 30 42.621 11.046 -29.804 220 HA THR 30 HA THR 30 41.233 10.190 -32.240 221 HB THR 30 HB THR 30 42.274 13.000 -31.827 222 HG1 THR 30 HG1 THR 30 39.907 13.367 -32.342 223 1HG2 THR 30 1HG2 THR 30 41.331 11.488 -34.225 224 2HG2 THR 30 2HG2 THR 30 41.005 13.218 -34.113 225 3HG2 THR 30 3HG2 THR 30 42.668 12.630 -34.070 226 H CYS 31 H CYS 31 42.562 9.783 -33.987 227 HA CYS 31 HA CYS 31 45.437 9.815 -33.371 228 1HB CYS 31 1HB CYS 31 45.647 7.966 -34.992 229 2HB CYS 31 2HB CYS 31 44.604 7.560 -33.632 230 H LEU 32 H LEU 32 46.372 11.469 -34.290 231 HA LEU 32 HA LEU 32 45.343 12.702 -36.670 232 1HB LEU 32 1HB LEU 32 47.709 13.938 -36.323 233 2HB LEU 32 2HB LEU 32 46.245 14.381 -35.469 234 HG LEU 32 HG LEU 32 47.990 12.326 -34.212 235 1HD1 LEU 32 1HD1 LEU 32 49.293 14.453 -35.151 236 2HD1 LEU 32 2HD1 LEU 32 48.689 15.139 -33.643 237 3HD1 LEU 32 3HD1 LEU 32 49.689 13.687 -33.613 238 1HD2 LEU 32 1HD2 LEU 32 45.753 13.247 -33.343 239 2HD2 LEU 32 2HD2 LEU 32 47.108 13.158 -32.215 240 3HD2 LEU 32 3HD2 LEU 32 46.667 14.702 -32.946 241 H GLY 33 H GLY 33 48.806 12.413 -36.392 242 1HA GLY 33 1HA GLY 33 48.872 10.440 -38.559 243 2HA GLY 33 2HA GLY 33 49.603 12.010 -38.848 244 H ASN 34 H ASN 34 50.693 12.401 -36.261 245 HA ASN 34 HA ASN 34 53.010 10.667 -36.499 246 1HB ASN 34 2HB ASN 34 53.106 13.205 -36.178 247 2HB ASN 34 1HB ASN 34 54.164 12.232 -35.162 248 2HD2 ASN 34 1HD2 ASN 34 53.617 11.929 -32.969 249 1HD2 ASN 34 2HD2 ASN 34 52.574 13.038 -32.152 250 H GLY 35 H GLY 35 50.190 10.939 -34.572 251 1HA GLY 35 1HA GLY 35 50.744 8.544 -33.168 252 2HA GLY 35 2HA GLY 35 51.026 9.925 -32.118 253 H VAL 36 H VAL 36 49.309 9.144 -30.781 254 HA VAL 36 HA VAL 36 46.674 9.935 -31.809 255 HB VAL 36 HB VAL 36 47.318 7.415 -30.286 256 1HG1 VAL 36 1HG1 VAL 36 44.753 8.931 -30.479 257 2HG1 VAL 36 2HG1 VAL 36 44.730 7.168 -30.399 258 3HG1 VAL 36 3HG1 VAL 36 45.466 8.100 -29.096 259 1HG2 VAL 36 1HG2 VAL 36 46.475 8.092 -33.010 260 2HG2 VAL 36 2HG2 VAL 36 47.335 6.677 -32.404 261 3HG2 VAL 36 3HG2 VAL 36 45.580 6.768 -32.265 262 H SER 37 H SER 37 45.979 11.586 -30.649 263 HA SER 37 HA SER 37 46.775 11.792 -27.826 264 1HB SER 37 1HB SER 37 47.378 13.689 -29.339 265 2HB SER 37 2HB SER 37 45.658 13.957 -29.627 266 HG SER 37 HG SER 37 47.184 14.433 -27.335 267 H CYS 38 H CYS 38 45.172 12.494 -26.270 268 HA CYS 38 HA CYS 38 42.381 12.319 -27.055 269 1HB CYS 38 1HB CYS 38 42.879 10.615 -24.743 270 2HB CYS 38 2HB CYS 38 41.880 10.322 -26.151 271 H GLN 39 H GLN 39 41.018 13.395 -25.729 272 HA GLN 39 HA GLN 39 42.139 14.528 -23.257 273 1HB GLN 39 1HB GLN 39 40.386 15.983 -25.247 274 2HB GLN 39 2HB GLN 39 40.995 16.640 -23.735 275 1HG GLN 39 1HG GLN 39 43.267 15.774 -25.060 276 2HG GLN 39 2HG GLN 39 42.261 16.475 -26.327 277 2HE2 GLN 39 1HE2 GLN 39 41.279 18.632 -25.724 278 1HE2 GLN 39 2HE2 GLN 39 42.318 19.754 -24.919 279 H GLU 40 H GLU 40 40.672 14.891 -21.575 280 HA GLU 40 HA GLU 40 38.884 13.106 -20.828 281 1HB GLU 40 1HB GLU 40 37.658 14.855 -19.564 282 2HB GLU 40 2HB GLU 40 39.405 14.988 -19.415 283 1HG GLU 40 1HG GLU 40 39.010 16.623 -21.499 284 2HG GLU 40 2HG GLU 40 37.463 16.809 -20.676 285 H THR 41 H THR 41 36.796 12.485 -21.151 286 HA THR 41 HA THR 41 35.607 12.521 -23.563 287 HB THR 41 HB THR 41 34.863 11.411 -21.301 288 HG1 THR 41 HG1 THR 41 33.995 11.041 -23.464 289 1HG2 THR 41 1HG2 THR 41 34.109 13.816 -20.538 290 2HG2 THR 41 2HG2 THR 41 32.647 13.400 -21.432 291 3HG2 THR 41 3HG2 THR 41 33.175 12.389 -20.087 292 H ALA 42 H ALA 42 35.443 15.033 -21.155 293 HA ALA 42 HA ALA 42 35.019 17.284 -21.434 294 1HB ALA 42 1HB ALA 42 35.406 16.571 -24.011 295 2HB ALA 42 3HB ALA 42 34.945 18.194 -23.493 296 3HB ALA 42 2HB ALA 42 33.714 17.066 -24.062 297 H VAL 43 H VAL 43 33.472 17.359 -19.879 298 HA VAL 43 HA VAL 43 30.739 16.573 -20.566 299 HB VAL 43 HB VAL 43 30.490 17.325 -18.006 300 1HG1 VAL 43 1HG1 VAL 43 31.606 14.690 -18.960 301 2HG1 VAL 43 2HG1 VAL 43 30.838 14.965 -17.396 302 3HG1 VAL 43 3HG1 VAL 43 29.903 15.142 -18.881 303 1HG2 VAL 43 1HG2 VAL 43 33.012 17.916 -18.109 304 2HG2 VAL 43 2HG2 VAL 43 32.385 17.057 -16.702 305 3HG2 VAL 43 3HG2 VAL 43 33.251 16.175 -17.960 306 H THR 44 H THR 44 32.630 19.377 -19.571 307 HA THR 44 HA THR 44 32.240 21.610 -19.841 308 HB THR 44 HB THR 44 29.553 21.476 -20.985 309 HG1 THR 44 HG1 THR 44 31.664 19.937 -22.086 310 1HG2 THR 44 1HG2 THR 44 31.070 23.427 -21.100 311 2HG2 THR 44 2HG2 THR 44 32.175 22.480 -22.097 312 3HG2 THR 44 3HG2 THR 44 30.561 22.868 -22.694 313 H GLN 45 H GLN 45 29.864 23.073 -19.658 314 HA GLN 45 HA GLN 45 29.159 22.549 -16.864 315 1HB GLN 45 1HB GLN 45 28.879 25.018 -18.581 316 2HB GLN 45 2HB GLN 45 28.271 24.898 -16.936 317 1HG GLN 45 1HG GLN 45 30.641 24.338 -16.247 318 2HG GLN 45 2HG GLN 45 31.122 24.837 -17.868 319 2HE2 GLN 45 1HE2 GLN 45 31.250 26.966 -18.350 320 1HE2 GLN 45 2HE2 GLN 45 30.951 28.236 -17.218 321 H THR 46 H THR 46 27.138 22.075 -16.217 322 HA THR 46 HA THR 46 25.002 22.110 -18.249 323 HB THR 46 HB THR 46 24.037 20.107 -17.112 324 HG1 THR 46 HG1 THR 46 26.548 19.610 -15.951 325 1HG2 THR 46 1HG2 THR 46 25.483 19.989 -19.167 326 2HG2 THR 46 2HG2 THR 46 26.838 19.601 -18.109 327 3HG2 THR 46 3HG2 THR 46 25.449 18.517 -18.197 328 H TYR 47 H TYR 47 23.422 23.453 -17.716 329 HA TYR 47 HA TYR 47 22.731 23.775 -14.873 330 1HB TYR 47 1HB TYR 47 22.354 26.158 -15.241 331 2HB TYR 47 2HB TYR 47 24.011 25.734 -15.658 332 HD1 TYR 47 HD1 TYR 47 24.711 25.652 -18.027 333 HD2 TYR 47 HD2 TYR 47 20.819 26.954 -16.900 334 HE1 TYR 47 HE1 TYR 47 24.409 26.657 -20.250 335 HE2 TYR 47 HE2 TYR 47 20.507 27.962 -19.121 336 HH TYR 47 HH TYR 47 22.980 27.654 -21.644 337 H GLY 48 H GLY 48 20.591 23.718 -14.399 338 1HA GLY 48 1HA GLY 48 18.302 23.702 -14.718 339 2HA GLY 48 2HA GLY 48 18.568 24.291 -16.352 340 H GLY 49 H GLY 49 17.779 22.968 -17.830 341 1HA GLY 49 1HA GLY 49 17.050 21.047 -18.864 342 2HA GLY 49 2HA GLY 49 18.554 20.358 -18.271 343 H ASN 50 H ASN 50 16.809 18.512 -18.428 344 HA ASN 50 HA ASN 50 15.105 18.353 -16.090 345 1HB ASN 50 1HB ASN 50 15.328 16.969 -18.640 346 2HB ASN 50 2HB ASN 50 15.119 15.847 -17.299 347 2HD2 ASN 50 1HD2 ASN 50 13.255 16.312 -19.371 348 1HD2 ASN 50 2HD2 ASN 50 11.825 16.968 -18.657 349 H SER 51 H SER 51 18.221 18.249 -16.199 350 HA SER 51 HA SER 51 18.478 15.892 -14.447 351 1HB SER 51 1HB SER 51 20.355 17.017 -16.507 352 2HB SER 51 2HB SER 51 20.981 16.079 -15.150 353 HG SER 51 HG SER 51 18.945 15.174 -16.907 354 H ASN 52 H ASN 52 18.424 19.198 -14.510 355 HA ASN 52 HA ASN 52 18.912 20.792 -12.964 356 1HB ASN 52 1HB ASN 52 18.131 19.254 -11.274 357 2HB ASN 52 2HB ASN 52 19.661 18.383 -11.300 358 2HD2 ASN 52 1HD2 ASN 52 18.947 21.849 -11.228 359 1HD2 ASN 52 2HD2 ASN 52 19.801 22.172 -9.762 360 H GLY 53 H GLY 53 20.886 19.734 -14.915 361 1HA GLY 53 1HA GLY 53 23.010 20.410 -15.520 362 2HA GLY 53 2HA GLY 53 23.139 21.244 -13.980 363 H GLU 54 H GLU 54 22.796 17.844 -15.003 364 HA GLU 54 HA GLU 54 24.951 17.168 -13.121 365 1HB GLU 54 1HB GLU 54 22.539 15.715 -14.083 366 2HB GLU 54 2HB GLU 54 23.957 14.767 -13.674 367 1HG GLU 54 2HG GLU 54 22.706 14.802 -11.721 368 2HG GLU 54 1HG GLU 54 22.284 16.502 -11.905 369 HA PRO 55 HA PRO 55 27.776 15.669 -16.132 370 1HB PRO 55 2HB PRO 55 28.965 13.939 -15.225 371 2HB PRO 55 1HB PRO 55 27.550 12.884 -15.152 372 1HG PRO 55 1HG PRO 55 27.776 13.368 -12.897 373 2HG PRO 55 2HG PRO 55 28.468 14.969 -13.217 374 1HD PRO 55 2HD PRO 55 26.317 15.617 -12.671 375 2HD PRO 55 1HD PRO 55 25.607 14.097 -13.250 376 H CYS 56 H CYS 56 27.610 15.130 -18.231 377 HA CYS 56 HA CYS 56 25.193 13.974 -19.227 378 1HB CYS 56 1HB CYS 56 27.719 14.445 -20.806 379 2HB CYS 56 2HB CYS 56 26.067 14.381 -21.405 380 H VAL 57 H VAL 57 25.521 12.241 -21.081 381 HA VAL 57 HA VAL 57 27.318 10.116 -20.147 382 HB VAL 57 HB VAL 57 25.035 9.784 -19.160 383 1HG1 VAL 57 1HG1 VAL 57 24.134 10.520 -21.640 384 2HG1 VAL 57 2HG1 VAL 57 23.916 8.771 -21.659 385 3HG1 VAL 57 3HG1 VAL 57 23.166 9.739 -20.392 386 1HG2 VAL 57 1HG2 VAL 57 26.778 7.965 -19.948 387 2HG2 VAL 57 2HG2 VAL 57 25.192 7.507 -19.328 388 3HG2 VAL 57 3HG2 VAL 57 25.480 7.544 -21.068 389 H LEU 58 H LEU 58 28.214 11.284 -22.226 390 HA LEU 58 HA LEU 58 27.103 9.960 -24.598 391 1HB LEU 58 1HB LEU 58 28.925 11.692 -25.613 392 2HB LEU 58 2HB LEU 58 27.219 12.040 -25.410 393 HG LEU 58 HG LEU 58 28.647 13.864 -24.606 394 1HD1 LEU 58 1HD1 LEU 58 26.463 12.739 -23.334 395 2HD1 LEU 58 2HD1 LEU 58 27.615 13.042 -22.034 396 3HD1 LEU 58 3HD1 LEU 58 27.107 14.362 -23.086 397 1HD2 LEU 58 1HD2 LEU 58 30.203 11.799 -23.558 398 2HD2 LEU 58 2HD2 LEU 58 30.456 13.534 -23.361 399 3HD2 LEU 58 3HD2 LEU 58 29.530 12.635 -22.158 400 HA PRO 59 HA PRO 59 28.381 10.428 -26.878 401 1HB PRO 59 2HB PRO 59 29.202 9.427 -28.745 402 2HB PRO 59 1HB PRO 59 28.730 7.825 -28.183 403 1HG PRO 59 1HG PRO 59 31.026 7.622 -27.948 404 2HG PRO 59 2HG PRO 59 31.239 9.359 -27.658 405 1HD PRO 59 1HD PRO 59 30.331 7.220 -25.770 406 2HD PRO 59 2HD PRO 59 31.445 8.572 -25.482 407 H PHE 60 H PHE 60 26.255 10.390 -27.148 408 HA PHE 60 HA PHE 60 24.773 7.973 -26.335 409 1HB PHE 60 1HB PHE 60 22.873 9.638 -25.895 410 2HB PHE 60 2HB PHE 60 24.211 9.634 -24.751 411 HD1 PHE 60 HD1 PHE 60 23.030 11.355 -27.830 412 HD2 PHE 60 HD2 PHE 60 25.249 11.624 -24.210 413 HE1 PHE 60 HE1 PHE 60 23.350 13.763 -28.211 414 HE2 PHE 60 HE2 PHE 60 25.574 14.034 -24.584 415 HZ PHE 60 HZ PHE 60 24.624 15.106 -26.587 416 H THR 61 H THR 61 22.464 8.042 -27.356 417 HA THR 61 HA THR 61 22.749 8.843 -30.181 418 HB THR 61 HB THR 61 20.902 6.618 -29.659 419 HG1 THR 61 HG1 THR 61 22.328 5.614 -28.424 420 1HG2 THR 61 1HG2 THR 61 23.152 7.103 -31.613 421 2HG2 THR 61 2HG2 THR 61 22.084 5.700 -31.644 422 3HG2 THR 61 3HG2 THR 61 21.426 7.313 -31.912 423 H TYR 62 H TYR 62 21.341 10.322 -30.778 424 HA TYR 62 HA TYR 62 18.734 10.414 -29.417 425 1HB TYR 62 1HB TYR 62 19.859 12.390 -28.772 426 2HB TYR 62 2HB TYR 62 20.502 12.648 -30.391 427 HD1 TYR 62 HD1 TYR 62 16.997 11.809 -29.534 428 HD2 TYR 62 HD2 TYR 62 19.701 14.830 -30.826 429 HE1 TYR 62 HE1 TYR 62 15.096 13.282 -30.049 430 HE2 TYR 62 HE2 TYR 62 17.808 16.311 -31.343 431 HH TYR 62 HH TYR 62 15.581 16.454 -31.545 432 H ASN 63 H ASN 63 17.109 9.850 -30.677 433 HA ASN 63 HA ASN 63 15.731 9.689 -32.481 434 1HB ASN 63 1HB ASN 63 17.410 11.985 -33.142 435 2HB ASN 63 2HB ASN 63 16.827 11.129 -34.566 436 2HD2 ASN 63 1HD2 ASN 63 16.182 13.748 -33.085 437 1HD2 ASN 63 2HD2 ASN 63 14.454 13.758 -33.043 438 H GLY 64 H GLY 64 19.120 9.796 -33.536 439 1HA GLY 64 1HA GLY 64 19.175 7.088 -34.315 440 2HA GLY 64 2HA GLY 64 18.879 8.090 -35.726 441 H ARG 65 H ARG 65 20.653 10.181 -34.109 442 HA ARG 65 HA ARG 65 23.153 9.131 -35.224 443 1HB ARG 65 2HB ARG 65 22.373 11.311 -36.082 444 2HB ARG 65 1HB ARG 65 23.937 11.420 -35.291 445 1HG ARG 65 1HG ARG 65 21.802 11.916 -33.420 446 2HG ARG 65 2HG ARG 65 23.189 12.917 -33.845 447 1HD ARG 65 1HD ARG 65 20.806 13.819 -34.288 448 2HD ARG 65 2HD ARG 65 22.047 14.023 -35.526 449 HE ARG 65 HE ARG 65 20.533 11.620 -35.851 450 1HH1 ARG 65 1HH1 ARG 65 20.582 15.045 -36.479 451 2HH1 ARG 65 2HH1 ARG 65 19.522 14.940 -37.846 452 1HH2 ARG 65 1HH2 ARG 65 19.139 11.471 -37.649 453 2HH2 ARG 65 2HH2 ARG 65 18.701 12.908 -38.511 454 H THR 66 H THR 66 25.012 10.622 -33.895 455 HA THR 66 HA THR 66 24.632 10.004 -31.054 456 HB THR 66 HB THR 66 27.145 9.266 -32.555 457 HG1 THR 66 HG1 THR 66 25.327 7.388 -31.489 458 1HG2 THR 66 1HG2 THR 66 27.252 9.812 -30.070 459 2HG2 THR 66 2HG2 THR 66 26.275 8.366 -29.818 460 3HG2 THR 66 3HG2 THR 66 27.869 8.234 -30.559 461 H PHE 67 H PHE 67 26.032 11.148 -29.612 462 HA PHE 67 HA PHE 67 27.572 13.352 -30.759 463 1HB PHE 67 1HB PHE 67 25.686 13.956 -28.508 464 2HB PHE 67 2HB PHE 67 26.416 15.055 -29.672 465 HD1 PHE 67 HD1 PHE 67 24.181 12.054 -29.764 466 HD2 PHE 67 HD2 PHE 67 24.971 15.997 -31.165 467 HE1 PHE 67 HE1 PHE 67 22.130 11.982 -31.121 468 HE2 PHE 67 HE2 PHE 67 22.922 15.929 -32.523 469 HZ PHE 67 HZ PHE 67 21.499 13.918 -32.503 470 H TYR 68 H TYR 68 29.447 13.624 -29.728 471 HA TYR 68 HA TYR 68 30.053 12.038 -27.409 472 1HB TYR 68 1HB TYR 68 31.670 13.970 -29.069 473 2HB TYR 68 2HB TYR 68 32.321 13.164 -27.648 474 HD1 TYR 68 HD1 TYR 68 30.043 10.994 -29.170 475 HD2 TYR 68 HD2 TYR 68 33.972 12.536 -29.618 476 HE1 TYR 68 HE1 TYR 68 30.642 9.042 -30.542 477 HE2 TYR 68 HE2 TYR 68 34.595 10.596 -30.988 478 HH TYR 68 HH TYR 68 32.287 8.422 -32.241 479 H SER 69 H SER 69 28.647 15.033 -27.819 480 HA SER 69 HA SER 69 28.840 15.655 -25.039 481 1HB SER 69 1HB SER 69 30.295 17.444 -26.997 482 2HB SER 69 2HB SER 69 29.918 17.888 -25.332 483 HG SER 69 HG SER 69 31.672 16.880 -24.808 484 H CYS 70 H CYS 70 28.102 18.224 -24.914 485 HA CYS 70 HA CYS 70 25.415 18.265 -25.380 486 1HB CYS 70 2HB CYS 70 25.448 20.573 -24.909 487 2HB CYS 70 1HB CYS 70 27.049 20.785 -25.605 488 H THR 71 H THR 71 24.179 19.748 -26.872 489 HA THR 71 HA THR 71 25.297 20.421 -29.407 490 HB THR 71 HB THR 71 25.199 18.021 -29.781 491 HG1 THR 71 HG1 THR 71 24.709 19.029 -31.648 492 1HG2 THR 71 1HG2 THR 71 22.617 18.309 -28.451 493 2HG2 THR 71 2HG2 THR 71 22.535 17.344 -29.925 494 3HG2 THR 71 3HG2 THR 71 23.643 16.885 -28.632 495 H THR 72 H THR 72 23.090 20.363 -31.010 496 HA THR 72 HA THR 72 20.863 21.560 -29.567 497 HB THR 72 HB THR 72 20.934 23.475 -31.344 498 HG1 THR 72 HG1 THR 72 23.318 24.008 -31.566 499 1HG2 THR 72 1HG2 THR 72 21.648 23.278 -28.683 500 2HG2 THR 72 2HG2 THR 72 23.033 24.083 -29.422 501 3HG2 THR 72 3HG2 THR 72 21.418 24.773 -29.587 502 H GLU 73 H GLU 73 20.397 19.284 -30.599 503 HA GLU 73 HA GLU 73 19.508 19.608 -33.376 504 1HB GLU 73 1HB GLU 73 20.254 17.244 -31.708 505 2HB GLU 73 2HB GLU 73 19.150 17.023 -33.058 506 1HG GLU 73 1HG GLU 73 21.941 18.139 -33.196 507 2HG GLU 73 2HG GLU 73 21.419 16.541 -33.728 508 H GLY 74 H GLY 74 18.390 18.437 -30.221 509 1HA GLY 74 1HA GLY 74 15.623 18.748 -31.203 510 2HA GLY 74 2HA GLY 74 16.102 17.558 -30.007 511 H ARG 75 H ARG 75 16.068 21.057 -30.559 512 HA ARG 75 HA ARG 75 15.080 21.427 -27.836 513 1HB ARG 75 1HB ARG 75 16.678 23.175 -27.333 514 2HB ARG 75 2HB ARG 75 17.537 21.692 -27.724 515 1HG ARG 75 1HG ARG 75 17.920 22.558 -30.005 516 2HG ARG 75 2HG ARG 75 17.146 24.070 -29.529 517 1HD ARG 75 1HD ARG 75 19.023 23.644 -27.553 518 2HD ARG 75 2HD ARG 75 19.834 23.097 -29.018 519 HE ARG 75 HE ARG 75 19.482 25.743 -28.277 520 1HH1 ARG 75 1HH1 ARG 75 18.943 23.748 -31.084 521 2HH1 ARG 75 2HH1 ARG 75 19.122 25.056 -32.203 522 1HH2 ARG 75 1HH2 ARG 75 19.732 27.465 -29.747 523 2HH2 ARG 75 2HH2 ARG 75 19.572 27.166 -31.445 524 H GLN 76 H GLN 76 13.673 23.106 -27.610 525 HA GLN 76 HA GLN 76 13.117 24.678 -30.040 526 1HB GLN 76 2HB GLN 76 11.350 23.037 -29.318 527 2HB GLN 76 1HB GLN 76 10.805 24.703 -29.458 528 1HG GLN 76 1HG GLN 76 11.580 23.363 -26.878 529 2HG GLN 76 2HG GLN 76 10.904 24.980 -27.065 530 2HE2 GLN 76 1HE2 GLN 76 10.088 21.778 -28.367 531 1HE2 GLN 76 2HE2 GLN 76 8.430 21.816 -27.883 532 H ASP 77 H ASP 77 14.722 25.062 -27.349 533 HA ASP 77 HA ASP 77 13.545 27.654 -26.623 534 1HB ASP 77 1HB ASP 77 15.494 27.246 -24.765 535 2HB ASP 77 2HB ASP 77 13.812 26.763 -24.562 536 H GLY 78 H GLY 78 16.767 26.189 -26.980 537 1HA GLY 78 1HA GLY 78 18.150 27.323 -28.770 538 2HA GLY 78 2HA GLY 78 17.737 28.810 -27.933 539 H HIS 79 H HIS 79 18.333 25.972 -26.044 540 HA HIS 79 HA HIS 79 20.988 27.030 -25.326 541 1HB HIS 79 1HB HIS 79 19.319 25.475 -23.382 542 2HB HIS 79 2HB HIS 79 20.594 26.645 -23.063 543 HD1 HIS 79 HD1 HIS 79 19.283 28.877 -24.959 544 HD2 HIS 79 HD2 HIS 79 17.425 26.824 -21.862 545 HE1 HIS 79 HE1 HIS 79 17.369 30.338 -24.238 546 HE2 HIS 79 HE2 HIS 79 16.319 29.121 -22.297 547 H LEU 80 H LEU 80 22.624 25.665 -25.711 548 HA LEU 80 HA LEU 80 22.497 23.212 -26.881 549 1HB LEU 80 1HB LEU 80 24.494 24.553 -25.140 550 2HB LEU 80 2HB LEU 80 24.689 22.826 -25.360 551 HG LEU 80 HG LEU 80 24.784 23.145 -27.799 552 1HD1 LEU 80 1HD1 LEU 80 23.404 25.299 -27.661 553 2HD1 LEU 80 2HD1 LEU 80 24.937 26.098 -27.314 554 3HD1 LEU 80 3HD1 LEU 80 24.718 25.231 -28.835 555 1HD2 LEU 80 1HD2 LEU 80 26.706 24.292 -25.895 556 2HD2 LEU 80 2HD2 LEU 80 26.941 23.090 -27.164 557 3HD2 LEU 80 3HD2 LEU 80 26.909 24.807 -27.569 558 H TRP 81 H TRP 81 22.454 21.044 -26.177 559 HA TRP 81 HA TRP 81 21.857 20.605 -23.341 560 1HB TRP 81 2HB TRP 81 19.696 20.810 -24.464 561 2HB TRP 81 1HB TRP 81 19.954 19.160 -23.907 562 HD1 TRP 81 HD1 TRP 81 19.564 21.220 -27.084 563 HE1 TRP 81 HE1 TRP 81 19.284 19.622 -29.082 564 HE3 TRP 81 HE3 TRP 81 20.604 16.796 -24.741 565 HZ2 TRP 81 HZ2 TRP 81 19.479 16.853 -29.597 566 HZ3 TRP 81 HZ3 TRP 81 20.535 14.718 -26.057 567 HH2 TRP 81 HH2 TRP 81 19.983 14.748 -28.436 568 H CYS 82 H CYS 82 22.058 18.405 -22.643 569 HA CYS 82 HA CYS 82 23.482 16.591 -24.439 570 1HB CYS 82 1HB CYS 82 25.374 16.356 -23.119 571 2HB CYS 82 2HB CYS 82 25.050 18.076 -22.948 572 H SER 83 H SER 83 23.564 14.372 -23.602 573 HA SER 83 HA SER 83 21.152 13.788 -22.066 574 1HB SER 83 1HB SER 83 21.519 12.601 -24.207 575 2HB SER 83 2HB SER 83 22.994 11.896 -23.550 576 HG SER 83 HG SER 83 21.380 10.416 -23.248 577 H THR 84 H THR 84 21.133 12.784 -20.104 578 HA THR 84 HA THR 84 23.752 12.414 -18.812 579 HB THR 84 HB THR 84 22.646 12.811 -16.676 580 HG1 THR 84 HG1 THR 84 20.372 12.614 -18.264 581 1HG2 THR 84 1HG2 THR 84 23.443 14.716 -18.203 582 2HG2 THR 84 2HG2 THR 84 21.731 15.011 -18.506 583 3HG2 THR 84 3HG2 THR 84 22.369 15.133 -16.867 584 H THR 85 H THR 85 20.849 10.865 -19.769 585 HA THR 85 HA THR 85 21.659 8.429 -18.319 586 HB THR 85 HB THR 85 18.875 9.418 -18.946 587 HG1 THR 85 HG1 THR 85 20.470 9.317 -16.728 588 1HG2 THR 85 1HG2 THR 85 19.876 6.677 -18.576 589 2HG2 THR 85 2HG2 THR 85 18.498 7.109 -17.564 590 3HG2 THR 85 3HG2 THR 85 18.381 7.250 -19.319 591 H SER 86 H SER 86 22.369 6.900 -19.649 592 HA SER 86 HA SER 86 22.620 6.891 -22.312 593 1HB SER 86 2HB SER 86 23.310 4.763 -22.052 594 2HB SER 86 1HB SER 86 21.736 4.240 -21.453 595 HG SER 86 HG SER 86 22.321 5.010 -19.405 596 H ASN 87 H ASN 87 19.650 6.276 -20.586 597 HA ASN 87 HA ASN 87 18.247 5.658 -23.081 598 1HB ASN 87 1HB ASN 87 17.942 4.830 -20.376 599 2HB ASN 87 2HB ASN 87 16.487 5.706 -20.833 600 2HD2 ASN 87 1HD2 ASN 87 15.885 3.317 -20.324 601 1HD2 ASN 87 2HD2 ASN 87 15.736 2.306 -21.716 602 H TYR 88 H TYR 88 18.859 8.089 -23.509 603 HA TYR 88 HA TYR 88 17.237 10.042 -22.192 604 1HB TYR 88 1HB TYR 88 19.207 10.935 -23.090 605 2HB TYR 88 2HB TYR 88 19.015 10.073 -24.616 606 HD1 TYR 88 HD1 TYR 88 17.830 12.928 -22.616 607 HD2 TYR 88 HD2 TYR 88 17.717 10.993 -26.401 608 HE1 TYR 88 HE1 TYR 88 16.751 14.905 -23.589 609 HE2 TYR 88 HE2 TYR 88 16.639 12.972 -27.386 610 HH TYR 88 HH TYR 88 16.674 15.673 -26.595 611 H GLU 89 H GLU 89 16.963 8.057 -25.046 612 HA GLU 89 HA GLU 89 14.795 9.457 -26.217 613 1HB GLU 89 1HB GLU 89 14.482 7.243 -27.465 614 2HB GLU 89 2HB GLU 89 16.005 8.091 -27.690 615 1HG GLU 89 1HG GLU 89 17.175 6.388 -26.892 616 2HG GLU 89 2HG GLU 89 16.142 6.252 -25.470 617 H GLN 90 H GLN 90 14.999 7.543 -23.464 618 HA GLN 90 HA GLN 90 12.101 7.016 -23.548 619 1HB GLN 90 2HB GLN 90 12.383 4.944 -22.676 620 2HB GLN 90 1HB GLN 90 13.739 5.439 -21.669 621 1HG GLN 90 1HG GLN 90 13.880 4.970 -24.636 622 2HG GLN 90 2HG GLN 90 15.224 5.354 -23.560 623 2HE2 GLN 90 1HE2 GLN 90 15.620 3.207 -24.980 624 1HE2 GLN 90 2HE2 GLN 90 15.382 1.755 -24.075 625 H ASP 91 H ASP 91 14.848 7.966 -21.561 626 HA ASP 91 HA ASP 91 13.087 8.719 -19.367 627 1HB ASP 91 1HB ASP 91 15.800 7.898 -19.564 628 2HB ASP 91 2HB ASP 91 15.792 9.534 -18.914 629 H GLN 92 H GLN 92 14.954 10.153 -21.940 630 HA GLN 92 HA GLN 92 15.014 12.270 -22.771 631 1HB GLN 92 1HB GLN 92 12.725 12.730 -20.849 632 2HB GLN 92 2HB GLN 92 13.229 13.855 -22.102 633 1HG GLN 92 1HG GLN 92 12.609 11.102 -22.969 634 2HG GLN 92 2HG GLN 92 11.255 12.089 -22.420 635 2HE2 GLN 92 1HE2 GLN 92 14.157 12.449 -24.437 636 1HE2 GLN 92 2HE2 GLN 92 13.368 13.302 -25.717 637 H LYS 93 H LYS 93 16.176 11.378 -20.007 638 HA LYS 93 HA LYS 93 16.494 13.745 -18.488 639 1HB LYS 93 1HB LYS 93 17.889 11.094 -18.566 640 2HB LYS 93 2HB LYS 93 18.554 12.405 -17.602 641 1HG LYS 93 1HG LYS 93 16.869 10.643 -16.594 642 2HG LYS 93 2HG LYS 93 16.869 12.330 -16.079 643 1HD LYS 93 1HD LYS 93 15.062 12.809 -17.663 644 2HD LYS 93 2HD LYS 93 15.068 11.125 -18.178 645 1HE LYS 93 1HE LYS 93 13.822 10.493 -16.437 646 2HE LYS 93 2HE LYS 93 14.835 11.379 -15.299 647 1HZ LYS 93 1HZ LYS 93 13.632 13.412 -15.934 648 2HZ LYS 93 2HZ LYS 93 12.612 12.493 -16.923 649 3HZ LYS 93 3HZ LYS 93 12.614 12.248 -15.249 650 H TYR 94 H TYR 94 17.242 15.478 -19.549 651 HA TYR 94 HA TYR 94 19.941 15.269 -20.705 652 1HB TYR 94 1HB TYR 94 19.360 16.693 -22.523 653 2HB TYR 94 2HB TYR 94 18.116 15.449 -22.447 654 HD1 TYR 94 HD1 TYR 94 18.815 18.916 -21.254 655 HD2 TYR 94 HD2 TYR 94 15.880 16.086 -22.469 656 HE1 TYR 94 HE1 TYR 94 17.089 20.665 -21.139 657 HE2 TYR 94 HE2 TYR 94 14.148 17.825 -22.360 658 HH TYR 94 HH TYR 94 14.877 21.075 -21.178 659 H SER 95 H SER 95 21.029 17.405 -20.879 660 HA SER 95 HA SER 95 20.201 19.259 -18.749 661 1HB SER 95 1HB SER 95 23.009 19.373 -18.887 662 2HB SER 95 2HB SER 95 22.036 18.702 -17.578 663 HG SER 95 HG SER 95 23.626 17.251 -18.555 664 H PHE 96 H PHE 96 22.288 21.109 -19.097 665 HA PHE 96 HA PHE 96 21.849 21.968 -21.876 666 1HB PHE 96 1HB PHE 96 21.705 23.527 -19.325 667 2HB PHE 96 2HB PHE 96 22.162 24.340 -20.813 668 HD1 PHE 96 HD1 PHE 96 20.291 22.531 -22.566 669 HD2 PHE 96 HD2 PHE 96 19.715 24.829 -19.030 670 HE1 PHE 96 HE1 PHE 96 17.920 22.810 -23.138 671 HE2 PHE 96 HE2 PHE 96 17.339 25.107 -19.596 672 HZ PHE 96 HZ PHE 96 16.441 24.097 -21.653 673 H CYS 97 H CYS 97 23.471 23.893 -22.341 674 HA CYS 97 HA CYS 97 26.103 23.412 -21.211 675 1HB CYS 97 1HB CYS 97 25.342 22.074 -23.548 676 2HB CYS 97 2HB CYS 97 26.324 23.427 -24.102 677 H THR 98 H THR 98 26.675 25.412 -20.684 678 HA THR 98 HA THR 98 25.692 27.781 -21.671 679 HB THR 98 HB THR 98 27.603 28.876 -20.668 680 HG1 THR 98 HG1 THR 98 29.470 27.872 -20.356 681 1HG2 THR 98 1HG2 THR 98 26.404 26.560 -19.208 682 2HG2 THR 98 2HG2 THR 98 27.614 27.576 -18.422 683 3HG2 THR 98 3HG2 THR 98 26.107 28.286 -19.000 684 H ASP 99 H ASP 99 29.096 27.048 -22.211 685 HA ASP 99 HA ASP 99 30.439 27.196 -24.041 686 1HB ASP 99 1HB ASP 99 27.810 27.082 -25.531 687 2HB ASP 99 2HB ASP 99 29.382 27.101 -26.320 688 H HIS 100 H HIS 100 27.551 29.244 -24.552 689 HA HIS 100 HA HIS 100 27.336 31.454 -25.044 690 1HB HIS 100 1HB HIS 100 28.972 31.387 -22.933 691 2HB HIS 100 2HB HIS 100 30.095 32.070 -24.104 692 HD1 HIS 100 HD1 HIS 100 26.409 32.885 -23.906 693 HD2 HIS 100 HD2 HIS 100 30.100 34.656 -23.195 694 HE1 HIS 100 HE1 HIS 100 25.914 35.307 -23.446 695 HE2 HIS 100 HE2 HIS 100 28.156 36.343 -22.941 696 H THR 101 H THR 101 28.621 33.375 -26.165 697 HA THR 101 HA THR 101 30.279 32.257 -28.323 698 HB THR 101 HB THR 101 27.850 32.669 -29.010 699 HG1 THR 101 HG1 THR 101 28.846 32.676 -30.871 700 1HG2 THR 101 1HG2 THR 101 28.335 35.158 -27.849 701 2HG2 THR 101 2HG2 THR 101 28.329 35.465 -29.586 702 3HG2 THR 101 3HG2 THR 101 26.937 34.699 -28.821 No H/Q in entry = 702 Start of MODEL 37 1 H1 TYR 1 H1 TYR 1 46.253 7.279 -45.960 2 H2 TYR 1 H2 TYR 1 45.503 8.635 -46.641 3 H3 TYR 1 H3 TYR 1 46.060 8.690 -45.044 4 HA TYR 1 HA TYR 1 44.055 8.105 -44.371 5 1HB TYR 1 1HB TYR 1 42.268 7.891 -45.895 6 2HB TYR 1 2HB TYR 1 43.430 8.918 -46.730 7 HD1 TYR 1 HD1 TYR 1 44.842 7.950 -48.544 8 HD2 TYR 1 HD2 TYR 1 41.654 5.766 -46.766 9 HE1 TYR 1 HE1 TYR 1 44.848 6.401 -50.453 10 HE2 TYR 1 HE2 TYR 1 41.651 4.209 -48.670 11 HH TYR 1 HH TYR 1 42.799 4.746 -51.488 12 H GLY 2 H GLY 2 43.429 6.340 -43.263 13 1HA GLY 2 1HA GLY 2 43.250 3.735 -44.310 14 2HA GLY 2 2HA GLY 2 44.801 3.907 -43.502 15 H HIS 3 H HIS 3 42.327 2.309 -42.901 16 HA HIS 3 HA HIS 3 40.818 3.131 -40.811 17 1HB HIS 3 1HB HIS 3 41.998 0.522 -41.578 18 2HB HIS 3 2HB HIS 3 41.370 0.641 -39.940 19 HD1 HIS 3 HD1 HIS 3 40.324 0.403 -43.481 20 HD2 HIS 3 HD2 HIS 3 38.558 1.060 -39.778 21 HE1 HIS 3 HE1 HIS 3 37.855 0.097 -43.850 22 HE2 HIS 3 HE2 HIS 3 36.819 0.397 -41.574 23 H CYS 4 H CYS 4 41.024 3.444 -38.629 24 HA CYS 4 HA CYS 4 43.778 3.589 -37.625 25 1HB CYS 4 1HB CYS 4 42.227 4.813 -35.703 26 2HB CYS 4 2HB CYS 4 43.094 5.633 -36.991 27 H VAL 5 H VAL 5 44.274 2.828 -35.495 28 HA VAL 5 HA VAL 5 42.339 1.084 -34.202 29 HB VAL 5 HB VAL 5 45.003 -0.039 -35.069 30 1HG1 VAL 5 1HG1 VAL 5 42.966 -0.881 -33.218 31 2HG1 VAL 5 2HG1 VAL 5 43.164 -2.068 -34.509 32 3HG1 VAL 5 3HG1 VAL 5 44.553 -1.583 -33.536 33 1HG2 VAL 5 1HG2 VAL 5 43.559 0.379 -37.016 34 2HG2 VAL 5 2HG2 VAL 5 43.801 -1.343 -36.724 35 3HG2 VAL 5 3HG2 VAL 5 42.283 -0.573 -36.260 36 H THR 6 H THR 6 42.573 1.106 -32.055 37 HA THR 6 HA THR 6 44.675 2.688 -30.888 38 HB THR 6 HB THR 6 43.530 2.366 -28.779 39 HG1 THR 6 HG1 THR 6 42.506 0.175 -30.092 40 1HG2 THR 6 1HG2 THR 6 42.297 3.423 -31.124 41 2HG2 THR 6 2HG2 THR 6 41.050 2.699 -30.109 42 3HG2 THR 6 3HG2 THR 6 42.111 3.944 -29.450 43 H ASP 7 H ASP 7 44.602 -0.423 -31.915 44 HA ASP 7 HA ASP 7 46.144 -2.098 -31.657 45 1HB ASP 7 1HB ASP 7 47.348 0.045 -30.259 46 2HB ASP 7 2HB ASP 7 47.453 -1.364 -29.207 47 H SER 8 H SER 8 43.625 -1.372 -29.824 48 HA SER 8 HA SER 8 44.023 -3.568 -27.909 49 1HB SER 8 1HB SER 8 42.495 -1.032 -27.830 50 2HB SER 8 2HB SER 8 41.714 -2.426 -27.085 51 HG SER 8 HG SER 8 43.801 -0.945 -26.197 52 H GLY 9 H GLY 9 42.502 -2.787 -30.816 53 1HA GLY 9 1HA GLY 9 41.534 -4.899 -31.835 54 2HA GLY 9 2HA GLY 9 40.481 -4.905 -30.428 55 H VAL 10 H VAL 10 40.532 -1.824 -30.706 56 HA VAL 10 HA VAL 10 38.110 -1.673 -32.241 57 HB VAL 10 HB VAL 10 39.481 0.831 -31.449 58 1HG1 VAL 10 1HG1 VAL 10 36.730 -0.257 -31.623 59 2HG1 VAL 10 2HG1 VAL 10 37.031 0.999 -30.423 60 3HG1 VAL 10 3HG1 VAL 10 37.365 1.309 -32.127 61 1HG2 VAL 10 1HG2 VAL 10 38.931 -1.372 -29.568 62 2HG2 VAL 10 2HG2 VAL 10 40.066 -0.029 -29.444 63 3HG2 VAL 10 3HG2 VAL 10 38.360 0.223 -29.077 64 H VAL 11 H VAL 11 38.108 -1.596 -34.384 65 HA VAL 11 HA VAL 11 40.385 -0.404 -35.787 66 HB VAL 11 HB VAL 11 38.107 -1.905 -37.063 67 1HG1 VAL 11 1HG1 VAL 11 39.516 -0.595 -38.559 68 2HG1 VAL 11 2HG1 VAL 11 40.953 -1.394 -37.922 69 3HG1 VAL 11 3HG1 VAL 11 39.756 -2.322 -38.824 70 1HG2 VAL 11 1HG2 VAL 11 40.379 -2.922 -35.476 71 2HG2 VAL 11 2HG2 VAL 11 38.799 -3.641 -35.788 72 3HG2 VAL 11 3HG2 VAL 11 40.068 -3.739 -37.008 73 H TYR 12 H TYR 12 39.944 1.782 -35.575 74 HA TYR 12 HA TYR 12 37.389 2.859 -36.390 75 1HB TYR 12 1HB TYR 12 39.979 4.147 -35.519 76 2HB TYR 12 2HB TYR 12 38.554 5.069 -35.989 77 HD1 TYR 12 HD1 TYR 12 36.392 4.633 -34.670 78 HD2 TYR 12 HD2 TYR 12 40.241 3.413 -33.332 79 HE1 TYR 12 HE1 TYR 12 35.529 4.455 -32.372 80 HE2 TYR 12 HE2 TYR 12 39.391 3.232 -31.030 81 HH TYR 12 HH TYR 12 36.155 3.167 -30.265 82 H SER 13 H SER 13 37.801 5.035 -37.813 83 HA SER 13 HA SER 13 39.354 4.237 -40.177 84 1HB SER 13 1HB SER 13 36.474 5.027 -40.012 85 2HB SER 13 2HB SER 13 37.399 5.455 -41.450 86 HG SER 13 HG SER 13 36.836 3.494 -42.014 87 H VAL 14 H VAL 14 40.453 5.822 -41.203 88 HA VAL 14 HA VAL 14 41.481 7.972 -40.025 89 HB VAL 14 HB VAL 14 42.282 7.461 -42.184 90 1HG1 VAL 14 1HG1 VAL 14 39.458 7.459 -42.880 91 2HG1 VAL 14 2HG1 VAL 14 40.458 8.279 -44.078 92 3HG1 VAL 14 3HG1 VAL 14 40.811 6.611 -43.630 93 1HG2 VAL 14 1HG2 VAL 14 41.624 10.068 -41.472 94 2HG2 VAL 14 2HG2 VAL 14 42.806 9.567 -42.683 95 3HG2 VAL 14 3HG2 VAL 14 41.148 9.933 -43.165 96 H GLY 15 H GLY 15 40.050 8.993 -38.614 97 1HA GLY 15 1HA GLY 15 39.015 11.112 -38.277 98 2HA GLY 15 2HA GLY 15 38.379 11.026 -39.910 99 H MET 16 H MET 16 38.228 8.801 -37.140 100 HA MET 16 HA MET 16 35.304 8.749 -37.481 101 1HB MET 16 1HB MET 16 37.266 6.673 -37.134 102 2HB MET 16 2HB MET 16 36.101 6.618 -35.819 103 1HG MET 16 1HG MET 16 34.882 6.955 -38.447 104 2HG MET 16 2HG MET 16 35.794 5.458 -38.270 105 1HE MET 16 1HE MET 16 35.389 3.721 -36.347 106 2HE MET 16 2HE MET 16 33.702 3.234 -36.175 107 3HE MET 16 3HE MET 16 34.414 3.395 -37.780 108 H GLN 17 H GLN 17 37.917 9.179 -35.196 109 HA GLN 17 HA GLN 17 37.986 9.937 -33.051 110 1HB GLN 17 1HB GLN 17 35.380 11.150 -33.965 111 2HB GLN 17 2HB GLN 17 36.074 11.477 -32.383 112 1HG GLN 17 1HG GLN 17 38.162 12.217 -33.632 113 2HG GLN 17 2HG GLN 17 37.159 12.201 -35.081 114 2HE2 GLN 17 1HE2 GLN 17 37.600 13.650 -31.923 115 1HE2 GLN 17 2HE2 GLN 17 36.702 15.090 -32.246 116 H TRP 18 H TRP 18 37.297 9.450 -30.930 117 HA TRP 18 HA TRP 18 34.855 8.050 -30.444 118 1HB TRP 18 1HB TRP 18 35.825 5.892 -29.813 119 2HB TRP 18 2HB TRP 18 36.122 6.247 -31.508 120 HD1 TRP 18 HD1 TRP 18 37.940 5.897 -28.159 121 HE1 TRP 18 HE1 TRP 18 40.455 5.643 -28.613 122 HE3 TRP 18 HE3 TRP 18 37.964 6.829 -33.193 123 HZ2 TRP 18 HZ2 TRP 18 42.223 5.814 -30.812 124 HZ3 TRP 18 HZ3 TRP 18 40.108 6.763 -34.391 125 HH2 TRP 18 HH2 TRP 18 42.191 6.268 -33.224 126 H LEU 19 H LEU 19 35.534 6.666 -28.147 127 HA LEU 19 HA LEU 19 36.617 8.782 -26.405 128 1HB LEU 19 2HB LEU 19 34.978 8.302 -24.752 129 2HB LEU 19 1HB LEU 19 34.454 6.854 -25.587 130 HG LEU 19 HG LEU 19 32.809 8.658 -25.772 131 1HD1 LEU 19 1HD1 LEU 19 34.665 10.448 -25.742 132 2HD1 LEU 19 2HD1 LEU 19 34.714 10.198 -27.487 133 3HD1 LEU 19 3HD1 LEU 19 33.220 10.733 -26.715 134 1HD2 LEU 19 1HD2 LEU 19 33.511 6.973 -27.701 135 2HD2 LEU 19 2HD2 LEU 19 32.255 8.190 -27.925 136 3HD2 LEU 19 3HD2 LEU 19 33.886 8.485 -28.528 137 H LYS 20 H LYS 20 38.406 8.151 -25.391 138 HA LYS 20 HA LYS 20 38.712 5.277 -24.797 139 1HB LYS 20 1HB LYS 20 40.984 5.360 -25.292 140 2HB LYS 20 2HB LYS 20 40.265 6.370 -26.539 141 1HG LYS 20 1HG LYS 20 41.076 8.329 -25.603 142 2HG LYS 20 2HG LYS 20 41.306 7.594 -24.015 143 1HD LYS 20 1HD LYS 20 42.852 6.362 -26.187 144 2HD LYS 20 2HD LYS 20 43.291 8.030 -25.815 145 1HE LYS 20 1HE LYS 20 43.507 7.386 -23.429 146 2HE LYS 20 2HE LYS 20 43.197 5.712 -23.888 147 1HZ LYS 20 1HZ LYS 20 45.168 6.024 -25.455 148 2HZ LYS 20 2HZ LYS 20 45.535 7.395 -24.534 149 3HZ LYS 20 3HZ LYS 20 45.499 5.868 -23.804 150 H THR 21 H THR 21 40.017 4.737 -22.928 151 HA THR 21 HA THR 21 40.371 6.802 -20.910 152 HB THR 21 HB THR 21 38.151 6.211 -20.345 153 HG1 THR 21 HG1 THR 21 39.366 6.195 -18.485 154 1HG2 THR 21 1HG2 THR 21 39.033 3.406 -20.927 155 2HG2 THR 21 2HG2 THR 21 37.631 3.719 -19.904 156 3HG2 THR 21 3HG2 THR 21 37.653 4.295 -21.571 157 H GLN 22 H GLN 22 41.057 5.447 -18.748 158 HA GLN 22 HA GLN 22 43.060 3.479 -19.636 159 1HB GLN 22 2HB GLN 22 44.692 4.397 -18.176 160 2HB GLN 22 1HB GLN 22 43.508 5.422 -17.377 161 1HG GLN 22 1HG GLN 22 43.288 6.326 -19.901 162 2HG GLN 22 2HG GLN 22 44.374 7.012 -18.694 163 2HE2 GLN 22 1HE2 GLN 22 44.688 3.947 -20.405 164 1HE2 GLN 22 2HE2 GLN 22 46.155 4.345 -21.224 165 H GLY 23 H GLY 23 40.299 3.705 -18.024 166 1HA GLY 23 1HA GLY 23 39.521 1.729 -16.854 167 2HA GLY 23 2HA GLY 23 41.104 1.619 -16.100 168 H ASN 24 H ASN 24 39.684 4.744 -16.366 169 HA ASN 24 HA ASN 24 38.114 4.831 -14.059 170 1HB ASN 24 1HB ASN 24 40.317 4.280 -12.974 171 2HB ASN 24 2HB ASN 24 40.923 5.829 -13.552 172 2HD2 ASN 24 1HD2 ASN 24 40.383 7.666 -12.499 173 1HD2 ASN 24 2HD2 ASN 24 39.431 7.710 -11.058 174 H LYS 25 H LYS 25 40.503 6.578 -15.984 175 HA LYS 25 HA LYS 25 38.955 9.045 -15.716 176 1HB LYS 25 1HB LYS 25 41.580 8.649 -17.157 177 2HB LYS 25 2HB LYS 25 40.848 10.174 -16.677 178 1HG LYS 25 1HG LYS 25 41.783 10.083 -14.669 179 2HG LYS 25 2HG LYS 25 41.216 8.433 -14.405 180 1HD LYS 25 1HD LYS 25 43.620 8.454 -14.310 181 2HD LYS 25 2HD LYS 25 43.117 7.616 -15.780 182 1HE LYS 25 1HE LYS 25 43.622 9.526 -17.123 183 2HE LYS 25 2HE LYS 25 43.892 10.525 -15.696 184 1HZ LYS 25 1HZ LYS 25 45.528 8.116 -16.104 185 2HZ LYS 25 2HZ LYS 25 45.894 9.520 -16.973 186 3HZ LYS 25 3HZ LYS 25 45.910 9.546 -15.283 187 H GLN 26 H GLN 26 39.930 10.060 -18.297 188 HA GLN 26 HA GLN 26 38.846 8.345 -20.328 189 1HB GLN 26 1HB GLN 26 37.190 10.441 -19.080 190 2HB GLN 26 2HB GLN 26 37.194 10.437 -20.839 191 1HG GLN 26 2HG GLN 26 36.862 7.774 -20.138 192 2HG GLN 26 1HG GLN 26 35.630 8.878 -20.747 193 2HE2 GLN 26 1HE2 GLN 26 34.995 10.485 -18.799 194 1HE2 GLN 26 2HE2 GLN 26 34.460 9.641 -17.390 195 H MET 27 H MET 27 38.702 9.556 -22.469 196 HA MET 27 HA MET 27 40.049 11.997 -22.862 197 1HB MET 27 1HB MET 27 41.738 9.648 -22.584 198 2HB MET 27 2HB MET 27 41.937 10.406 -24.158 199 1HG MET 27 1HG MET 27 41.944 12.514 -22.350 200 2HG MET 27 2HG MET 27 42.889 11.245 -21.572 201 1HE MET 27 1HE MET 27 45.091 11.185 -21.665 202 2HE MET 27 2HE MET 27 45.227 10.100 -23.049 203 3HE MET 27 3HE MET 27 46.194 11.573 -22.985 204 H LEU 28 H LEU 28 39.624 12.728 -24.887 205 HA LEU 28 HA LEU 28 38.088 10.988 -26.618 206 1HB LEU 28 1HB LEU 28 37.696 13.516 -26.061 207 2HB LEU 28 2HB LEU 28 38.858 13.782 -27.348 208 HG LEU 28 HG LEU 28 37.073 11.974 -28.446 209 1HD1 LEU 28 1HD1 LEU 28 35.731 13.694 -26.451 210 2HD1 LEU 28 2HD1 LEU 28 34.955 13.554 -28.029 211 3HD1 LEU 28 3HD1 LEU 28 35.277 12.107 -27.074 212 1HD2 LEU 28 1HD2 LEU 28 38.005 14.640 -28.866 213 2HD2 LEU 28 2HD2 LEU 28 37.363 13.492 -30.040 214 3HD2 LEU 28 3HD2 LEU 28 36.271 14.579 -29.182 215 H CYS 29 H CYS 29 38.858 9.907 -28.299 216 HA CYS 29 HA CYS 29 41.591 10.471 -29.189 217 1HB CYS 29 1HB CYS 29 39.843 8.047 -29.229 218 2HB CYS 29 2HB CYS 29 41.153 8.180 -30.396 219 H THR 30 H THR 30 42.135 10.626 -31.368 220 HA THR 30 HA THR 30 40.009 10.769 -33.351 221 HB THR 30 HB THR 30 41.798 13.148 -32.813 222 HG1 THR 30 HG1 THR 30 40.034 12.981 -31.345 223 1HG2 THR 30 1HG2 THR 30 41.293 12.714 -35.217 224 2HG2 THR 30 2HG2 THR 30 39.575 12.848 -34.833 225 3HG2 THR 30 3HG2 THR 30 40.638 14.238 -34.618 226 H CYS 31 H CYS 31 40.831 9.366 -34.804 227 HA CYS 31 HA CYS 31 43.678 9.262 -35.286 228 1HB CYS 31 1HB CYS 31 43.062 7.476 -36.936 229 2HB CYS 31 2HB CYS 31 42.558 7.151 -35.281 230 H LEU 32 H LEU 32 44.488 10.899 -36.387 231 HA LEU 32 HA LEU 32 43.027 12.251 -38.455 232 1HB LEU 32 1HB LEU 32 45.397 13.361 -38.715 233 2HB LEU 32 2HB LEU 32 44.351 13.754 -37.365 234 HG LEU 32 HG LEU 32 46.155 11.502 -36.843 235 1HD1 LEU 32 1HD1 LEU 32 47.267 13.639 -38.239 236 2HD1 LEU 32 2HD1 LEU 32 47.688 13.913 -36.548 237 3HD1 LEU 32 3HD1 LEU 32 48.119 12.390 -37.329 238 1HD2 LEU 32 1HD2 LEU 32 44.618 13.004 -35.306 239 2HD2 LEU 32 2HD2 LEU 32 46.140 12.336 -34.716 240 3HD2 LEU 32 3HD2 LEU 32 46.063 14.013 -35.255 241 H GLY 33 H GLY 33 46.397 11.752 -39.100 242 1HA GLY 33 1HA GLY 33 45.769 9.789 -41.194 243 2HA GLY 33 2HA GLY 33 46.529 11.305 -41.652 244 H ASN 34 H ASN 34 48.214 11.466 -39.306 245 HA ASN 34 HA ASN 34 50.296 9.658 -40.207 246 1HB ASN 34 1HB ASN 34 51.145 11.200 -37.951 247 2HB ASN 34 2HB ASN 34 51.672 11.320 -39.626 248 2HD2 ASN 34 1HD2 ASN 34 50.350 12.980 -37.126 249 1HD2 ASN 34 2HD2 ASN 34 49.578 14.255 -37.999 250 H GLY 35 H GLY 35 47.862 9.564 -37.938 251 1HA GLY 35 1HA GLY 35 48.467 7.100 -36.891 252 2HA GLY 35 2HA GLY 35 49.233 8.246 -35.800 253 H VAL 36 H VAL 36 47.984 8.080 -34.024 254 HA VAL 36 HA VAL 36 45.211 8.977 -34.290 255 HB VAL 36 HB VAL 36 46.090 6.467 -32.874 256 1HG1 VAL 36 1HG1 VAL 36 43.673 8.171 -32.380 257 2HG1 VAL 36 2HG1 VAL 36 43.654 6.434 -32.070 258 3HG1 VAL 36 3HG1 VAL 36 44.793 7.471 -31.211 259 1HG2 VAL 36 1HG2 VAL 36 44.438 7.137 -35.208 260 2HG2 VAL 36 2HG2 VAL 36 45.366 5.681 -34.852 261 3HG2 VAL 36 3HG2 VAL 36 43.769 5.907 -34.137 262 H SER 37 H SER 37 44.994 10.717 -33.083 263 HA SER 37 HA SER 37 46.545 10.907 -30.586 264 1HB SER 37 1HB SER 37 46.807 12.582 -32.673 265 2HB SER 37 2HB SER 37 45.481 13.384 -31.832 266 HG SER 37 HG SER 37 47.638 14.048 -31.185 267 H CYS 38 H CYS 38 45.535 11.670 -28.739 268 HA CYS 38 HA CYS 38 42.633 12.102 -28.893 269 1HB CYS 38 1HB CYS 38 43.753 10.577 -26.587 270 2HB CYS 38 2HB CYS 38 42.134 10.535 -27.269 271 H GLN 39 H GLN 39 41.755 13.412 -27.267 272 HA GLN 39 HA GLN 39 43.758 15.006 -25.810 273 1HB GLN 39 1HB GLN 39 41.310 15.725 -27.310 274 2HB GLN 39 2HB GLN 39 41.576 16.601 -25.808 275 1HG GLN 39 1HG GLN 39 44.034 16.557 -27.196 276 2HG GLN 39 2HG GLN 39 42.779 16.999 -28.354 277 2HE2 GLN 39 1HE2 GLN 39 41.048 18.286 -26.524 278 1HE2 GLN 39 2HE2 GLN 39 41.797 19.765 -26.038 279 H GLU 40 H GLU 40 43.012 15.953 -23.758 280 HA GLU 40 HA GLU 40 42.400 14.235 -21.815 281 1HB GLU 40 2HB GLU 40 42.909 16.644 -21.482 282 2HB GLU 40 1HB GLU 40 41.606 16.062 -20.455 283 1HG GLU 40 1HG GLU 40 40.744 17.193 -23.019 284 2HG GLU 40 2HG GLU 40 40.085 17.410 -21.398 285 H THR 41 H THR 41 40.522 13.630 -20.616 286 HA THR 41 HA THR 41 38.542 12.331 -21.802 287 HB THR 41 HB THR 41 38.845 12.597 -19.318 288 HG1 THR 41 HG1 THR 41 36.517 12.278 -20.726 289 1HG2 THR 41 1HG2 THR 41 38.717 15.096 -19.351 290 2HG2 THR 41 2HG2 THR 41 36.986 14.945 -19.649 291 3HG2 THR 41 3HG2 THR 41 37.679 14.330 -18.149 292 H ALA 42 H ALA 42 38.368 15.782 -21.069 293 HA ALA 42 HA ALA 42 36.906 17.419 -21.727 294 1HB ALA 42 1HB ALA 42 37.941 16.069 -24.072 295 2HB ALA 42 2HB ALA 42 36.375 16.821 -24.375 296 3HB ALA 42 3HB ALA 42 37.715 17.791 -23.766 297 H VAL 43 H VAL 43 35.125 16.852 -20.471 298 HA VAL 43 HA VAL 43 32.913 15.653 -21.989 299 HB VAL 43 HB VAL 43 32.196 14.853 -19.550 300 1HG1 VAL 43 1HG1 VAL 43 32.937 13.635 -21.850 301 2HG1 VAL 43 2HG1 VAL 43 34.165 13.023 -20.742 302 3HG1 VAL 43 3HG1 VAL 43 32.455 12.779 -20.386 303 1HG2 VAL 43 1HG2 VAL 43 34.647 15.816 -18.934 304 2HG2 VAL 43 2HG2 VAL 43 33.840 14.526 -18.042 305 3HG2 VAL 43 3HG2 VAL 43 35.036 14.130 -19.276 306 H THR 44 H THR 44 32.756 16.582 -18.618 307 HA THR 44 HA THR 44 31.955 19.245 -18.878 308 HB THR 44 HB THR 44 30.059 18.407 -20.159 309 HG1 THR 44 HG1 THR 44 29.746 20.170 -18.651 310 1HG2 THR 44 1HG2 THR 44 29.954 16.447 -17.973 311 2HG2 THR 44 2HG2 THR 44 28.388 17.099 -18.453 312 3HG2 THR 44 3HG2 THR 44 29.416 16.310 -19.647 313 H GLN 45 H GLN 45 29.889 19.340 -16.960 314 HA GLN 45 HA GLN 45 31.185 18.133 -14.606 315 1HB GLN 45 2HB GLN 45 30.784 20.143 -13.338 316 2HB GLN 45 1HB GLN 45 29.905 20.868 -14.678 317 1HG GLN 45 1HG GLN 45 32.259 20.383 -15.876 318 2HG GLN 45 2HG GLN 45 31.863 21.892 -15.055 319 2HE2 GLN 45 1HE2 GLN 45 34.079 22.245 -14.677 320 1HE2 GLN 45 2HE2 GLN 45 34.923 21.396 -13.432 321 H THR 46 H THR 46 28.194 19.355 -16.030 322 HA THR 46 HA THR 46 26.002 18.897 -15.622 323 HB THR 46 HB THR 46 25.398 16.654 -14.960 324 HG1 THR 46 HG1 THR 46 26.741 16.194 -13.265 325 1HG2 THR 46 1HG2 THR 46 26.682 17.195 -17.196 326 2HG2 THR 46 2HG2 THR 46 27.914 16.156 -16.478 327 3HG2 THR 46 3HG2 THR 46 26.288 15.532 -16.757 328 H TYR 47 H TYR 47 24.773 19.901 -14.179 329 HA TYR 47 HA TYR 47 25.519 19.706 -11.334 330 1HB TYR 47 1HB TYR 47 24.026 21.933 -11.361 331 2HB TYR 47 2HB TYR 47 25.765 21.946 -11.632 332 HD1 TYR 47 HD1 TYR 47 22.471 22.079 -13.301 333 HD2 TYR 47 HD2 TYR 47 26.672 22.591 -13.735 334 HE1 TYR 47 HE1 TYR 47 22.109 23.151 -15.485 335 HE2 TYR 47 HE2 TYR 47 26.322 23.663 -15.920 336 HH TYR 47 HH TYR 47 23.090 24.388 -17.115 337 H GLY 48 H GLY 48 22.908 19.490 -13.649 338 1HA GLY 48 1HA GLY 48 21.315 17.953 -11.870 339 2HA GLY 48 2HA GLY 48 20.697 19.591 -11.981 340 H GLY 49 H GLY 49 19.307 20.036 -13.564 341 1HA GLY 49 1HA GLY 49 18.419 19.950 -15.737 342 2HA GLY 49 2HA GLY 49 19.405 18.532 -16.060 343 H ASN 50 H ASN 50 18.012 16.991 -16.665 344 HA ASN 50 HA ASN 50 15.464 16.710 -15.285 345 1HB ASN 50 1HB ASN 50 16.465 16.065 -17.903 346 2HB ASN 50 2HB ASN 50 15.795 14.618 -17.156 347 2HD2 ASN 50 1HD2 ASN 50 14.814 17.980 -16.737 348 1HD2 ASN 50 2HD2 ASN 50 13.214 17.777 -17.354 349 H SER 51 H SER 51 18.429 15.849 -14.478 350 HA SER 51 HA SER 51 17.531 13.347 -13.232 351 1HB SER 51 1HB SER 51 19.509 13.528 -15.234 352 2HB SER 51 2HB SER 51 20.366 13.247 -13.719 353 HG SER 51 HG SER 51 18.398 11.657 -14.962 354 H ASN 52 H ASN 52 20.664 14.986 -13.118 355 HA ASN 52 HA ASN 52 20.368 16.464 -10.800 356 1HB ASN 52 1HB ASN 52 19.847 14.197 -9.801 357 2HB ASN 52 2HB ASN 52 21.510 13.740 -10.153 358 2HD2 ASN 52 1HD2 ASN 52 19.861 16.561 -8.758 359 1HD2 ASN 52 2HD2 ASN 52 20.877 16.676 -7.366 360 H GLY 53 H GLY 53 22.403 14.387 -12.739 361 1HA GLY 53 1HA GLY 53 24.284 15.821 -13.723 362 2HA GLY 53 2HA GLY 53 24.744 16.036 -12.041 363 H GLU 54 H GLU 54 23.501 13.038 -13.397 364 HA GLU 54 HA GLU 54 25.841 11.639 -12.463 365 1HB GLU 54 1HB GLU 54 24.419 9.923 -12.310 366 2HB GLU 54 2HB GLU 54 23.149 10.976 -12.910 367 1HG GLU 54 1HG GLU 54 23.855 10.302 -15.237 368 2HG GLU 54 2HG GLU 54 24.867 9.073 -14.477 369 HA PRO 55 HA PRO 55 28.468 11.520 -15.971 370 1HB PRO 55 2HB PRO 55 29.683 9.555 -15.889 371 2HB PRO 55 1HB PRO 55 28.238 8.548 -15.735 372 1HG PRO 55 1HG PRO 55 28.969 8.530 -13.530 373 2HG PRO 55 2HG PRO 55 29.671 10.152 -13.655 374 1HD PRO 55 1HD PRO 55 26.868 9.342 -13.113 375 2HD PRO 55 2HD PRO 55 27.743 10.801 -12.608 376 H CYS 56 H CYS 56 26.737 12.303 -17.365 377 HA CYS 56 HA CYS 56 24.720 11.052 -18.598 378 1HB CYS 56 1HB CYS 56 26.798 12.789 -19.940 379 2HB CYS 56 2HB CYS 56 25.242 12.372 -20.655 380 H VAL 57 H VAL 57 24.393 9.761 -20.454 381 HA VAL 57 HA VAL 57 26.546 7.833 -20.868 382 HB VAL 57 HB VAL 57 24.268 7.085 -20.133 383 1HG1 VAL 57 1HG1 VAL 57 23.393 8.707 -22.204 384 2HG1 VAL 57 2HG1 VAL 57 23.126 7.064 -22.788 385 3HG1 VAL 57 3HG1 VAL 57 22.420 7.581 -21.258 386 1HG2 VAL 57 1HG2 VAL 57 26.021 5.699 -21.393 387 2HG2 VAL 57 2HG2 VAL 57 24.369 5.083 -21.333 388 3HG2 VAL 57 3HG2 VAL 57 24.962 5.880 -22.791 389 H LEU 58 H LEU 58 27.668 9.417 -22.325 390 HA LEU 58 HA LEU 58 26.493 9.324 -25.023 391 1HB LEU 58 1HB LEU 58 28.532 11.155 -25.206 392 2HB LEU 58 2HB LEU 58 26.825 11.523 -25.066 393 HG LEU 58 HG LEU 58 28.153 12.838 -23.506 394 1HD1 LEU 58 1HD1 LEU 58 25.968 11.123 -22.809 395 2HD1 LEU 58 2HD1 LEU 58 26.981 11.450 -21.404 396 3HD1 LEU 58 3HD1 LEU 58 26.295 12.786 -22.325 397 1HD2 LEU 58 1HD2 LEU 58 29.535 10.400 -23.127 398 2HD2 LEU 58 2HD2 LEU 58 29.888 11.980 -22.425 399 3HD2 LEU 58 3HD2 LEU 58 28.824 10.857 -21.579 400 HA PRO 59 HA PRO 59 27.870 10.546 -26.900 401 1HB PRO 59 2HB PRO 59 28.745 10.350 -28.979 402 2HB PRO 59 1HB PRO 59 28.117 8.716 -29.166 403 1HG PRO 59 1HG PRO 59 30.356 8.183 -28.990 404 2HG PRO 59 2HG PRO 59 30.718 9.632 -28.034 405 1HD PRO 59 1HD PRO 59 29.556 7.019 -27.154 406 2HD PRO 59 2HD PRO 59 30.754 8.049 -26.342 407 H PHE 60 H PHE 60 25.751 10.756 -27.185 408 HA PHE 60 HA PHE 60 24.117 8.311 -27.341 409 1HB PHE 60 1HB PHE 60 22.266 9.879 -26.503 410 2HB PHE 60 2HB PHE 60 23.511 9.415 -25.351 411 HD1 PHE 60 HD1 PHE 60 22.467 12.122 -27.653 412 HD2 PHE 60 HD2 PHE 60 24.785 11.038 -24.254 413 HE1 PHE 60 HE1 PHE 60 22.927 14.498 -27.214 414 HE2 PHE 60 HE2 PHE 60 25.248 13.413 -23.807 415 HZ PHE 60 HZ PHE 60 24.318 15.147 -25.289 416 H THR 61 H THR 61 21.948 8.714 -28.450 417 HA THR 61 HA THR 61 22.439 10.307 -30.879 418 HB THR 61 HB THR 61 20.359 8.247 -31.082 419 HG1 THR 61 HG1 THR 61 21.546 6.559 -30.584 420 1HG2 THR 61 1HG2 THR 61 22.780 9.045 -32.694 421 2HG2 THR 61 2HG2 THR 61 21.700 7.728 -33.153 422 3HG2 THR 61 3HG2 THR 61 21.085 9.379 -33.053 423 H TYR 62 H TYR 62 21.208 12.038 -31.083 424 HA TYR 62 HA TYR 62 18.446 11.935 -30.109 425 1HB TYR 62 1HB TYR 62 19.593 13.078 -28.347 426 2HB TYR 62 2HB TYR 62 20.469 14.089 -29.492 427 HD1 TYR 62 HD1 TYR 62 16.929 13.272 -28.599 428 HD2 TYR 62 HD2 TYR 62 19.732 16.254 -29.761 429 HE1 TYR 62 HE1 TYR 62 15.171 14.981 -28.430 430 HE2 TYR 62 HE2 TYR 62 17.982 17.973 -29.593 431 HH TYR 62 HH TYR 62 15.602 18.185 -29.612 432 H ASN 63 H ASN 63 17.010 12.703 -31.523 433 HA ASN 63 HA ASN 63 16.097 13.763 -33.318 434 1HB ASN 63 1HB ASN 63 17.914 15.597 -32.316 435 2HB ASN 63 2HB ASN 63 18.347 15.484 -34.020 436 2HD2 ASN 63 1HD2 ASN 63 15.716 16.119 -31.787 437 1HD2 ASN 63 2HD2 ASN 63 14.781 17.086 -32.871 438 H GLY 64 H GLY 64 18.575 11.725 -33.413 439 1HA GLY 64 1HA GLY 64 18.782 10.273 -35.335 440 2HA GLY 64 2HA GLY 64 18.589 11.686 -36.361 441 H ARG 65 H ARG 65 20.512 12.891 -34.119 442 HA ARG 65 HA ARG 65 22.944 12.114 -35.577 443 1HB ARG 65 1HB ARG 65 23.865 14.229 -35.057 444 2HB ARG 65 2HB ARG 65 22.204 14.543 -35.541 445 1HG ARG 65 1HG ARG 65 21.699 14.433 -33.008 446 2HG ARG 65 2HG ARG 65 23.437 14.677 -32.825 447 1HD ARG 65 2HD ARG 65 22.781 16.575 -34.678 448 2HD ARG 65 1HD ARG 65 22.959 16.860 -32.947 449 HE ARG 65 HE ARG 65 20.350 16.029 -33.346 450 1HH1 ARG 65 1HH1 ARG 65 22.382 18.675 -34.346 451 2HH1 ARG 65 2HH1 ARG 65 21.073 19.802 -34.475 452 1HH2 ARG 65 1HH2 ARG 65 18.620 17.503 -33.514 453 2HH2 ARG 65 2HH2 ARG 65 18.933 19.136 -34.002 454 H THR 66 H THR 66 24.827 13.070 -33.751 455 HA THR 66 HA THR 66 24.387 11.501 -31.317 456 HB THR 66 HB THR 66 26.894 11.211 -32.974 457 HG1 THR 66 HG1 THR 66 26.044 9.253 -33.656 458 1HG2 THR 66 1HG2 THR 66 26.068 10.337 -30.313 459 2HG2 THR 66 2HG2 THR 66 26.654 9.021 -31.329 460 3HG2 THR 66 3HG2 THR 66 27.678 10.424 -31.024 461 H PHE 67 H PHE 67 25.824 12.023 -29.570 462 HA PHE 67 HA PHE 67 27.524 14.369 -29.907 463 1HB PHE 67 1HB PHE 67 25.575 14.368 -27.627 464 2HB PHE 67 2HB PHE 67 26.465 15.715 -28.323 465 HD1 PHE 67 HD1 PHE 67 23.979 13.170 -29.494 466 HD2 PHE 67 HD2 PHE 67 25.201 17.249 -29.431 467 HE1 PHE 67 HE1 PHE 67 21.997 13.783 -30.819 468 HE2 PHE 67 HE2 PHE 67 23.224 17.866 -30.758 469 HZ PHE 67 HZ PHE 67 21.617 16.135 -31.450 470 H TYR 68 H TYR 68 29.424 13.799 -29.058 471 HA TYR 68 HA TYR 68 29.746 11.654 -27.225 472 1HB TYR 68 1HB TYR 68 31.575 13.780 -28.319 473 2HB TYR 68 2HB TYR 68 32.121 12.712 -27.030 474 HD1 TYR 68 HD1 TYR 68 29.848 11.609 -29.706 475 HD2 TYR 68 HD2 TYR 68 33.865 11.679 -28.315 476 HE1 TYR 68 HE1 TYR 68 30.448 9.907 -31.376 477 HE2 TYR 68 HE2 TYR 68 34.480 9.978 -29.979 478 HH TYR 68 HH TYR 68 32.463 8.041 -31.461 479 H SER 69 H SER 69 28.835 14.877 -26.821 480 HA SER 69 HA SER 69 29.115 14.638 -23.925 481 1HB SER 69 1HB SER 69 30.979 16.086 -25.208 482 2HB SER 69 2HB SER 69 29.730 17.320 -25.049 483 HG SER 69 HG SER 69 31.339 17.035 -23.266 484 H CYS 70 H CYS 70 28.247 17.254 -23.340 485 HA CYS 70 HA CYS 70 25.483 16.964 -23.426 486 1HB CYS 70 1HB CYS 70 27.365 19.003 -22.558 487 2HB CYS 70 2HB CYS 70 25.894 19.704 -23.221 488 H THR 71 H THR 71 24.248 19.167 -24.265 489 HA THR 71 HA THR 71 24.895 20.248 -26.736 490 HB THR 71 HB THR 71 24.677 17.770 -27.392 491 HG1 THR 71 HG1 THR 71 24.682 19.356 -28.982 492 1HG2 THR 71 1HG2 THR 71 21.755 18.477 -27.082 493 2HG2 THR 71 2HG2 THR 71 22.376 17.036 -27.888 494 3HG2 THR 71 3HG2 THR 71 22.639 17.260 -26.158 495 H THR 72 H THR 72 23.466 21.824 -27.253 496 HA THR 72 HA THR 72 20.990 21.919 -25.667 497 HB THR 72 HB THR 72 21.258 24.460 -26.592 498 HG1 THR 72 HG1 THR 72 23.623 24.820 -26.039 499 1HG2 THR 72 1HG2 THR 72 21.925 23.048 -24.094 500 2HG2 THR 72 2HG2 THR 72 22.636 24.652 -24.271 501 3HG2 THR 72 3HG2 THR 72 20.887 24.447 -24.363 502 H GLU 73 H GLU 73 20.422 20.388 -27.602 503 HA GLU 73 HA GLU 73 19.376 22.025 -29.817 504 1HB GLU 73 1HB GLU 73 20.275 19.152 -29.713 505 2HB GLU 73 2HB GLU 73 19.272 19.767 -31.022 506 1HG GLU 73 1HG GLU 73 21.803 21.179 -30.331 507 2HG GLU 73 2HG GLU 73 21.865 19.681 -31.259 508 H GLY 74 H GLY 74 18.329 20.916 -27.025 509 1HA GLY 74 1HA GLY 74 15.598 20.752 -27.904 510 2HA GLY 74 2HA GLY 74 16.218 19.211 -27.341 511 H ARG 75 H ARG 75 16.060 22.613 -26.327 512 HA ARG 75 HA ARG 75 15.103 21.740 -23.712 513 1HB ARG 75 1HB ARG 75 16.690 23.284 -22.563 514 2HB ARG 75 2HB ARG 75 17.470 21.904 -23.325 515 1HG ARG 75 1HG ARG 75 17.259 24.511 -24.771 516 2HG ARG 75 2HG ARG 75 18.522 24.246 -23.569 517 1HD ARG 75 1HD ARG 75 19.724 23.120 -25.050 518 2HD ARG 75 2HD ARG 75 18.404 21.974 -25.280 519 HE ARG 75 HE ARG 75 18.105 22.922 -27.323 520 1HH1 ARG 75 1HH1 ARG 75 19.398 25.339 -25.180 521 2HH1 ARG 75 2HH1 ARG 75 19.430 26.581 -26.386 522 1HH2 ARG 75 1HH2 ARG 75 18.143 24.548 -28.924 523 2HH2 ARG 75 2HH2 ARG 75 18.716 26.131 -28.518 524 H GLN 76 H GLN 76 14.547 23.767 -22.350 525 HA GLN 76 HA GLN 76 13.329 25.775 -24.132 526 1HB GLN 76 2HB GLN 76 11.396 25.841 -22.799 527 2HB GLN 76 1HB GLN 76 12.188 25.036 -21.451 528 1HG GLN 76 1HG GLN 76 11.746 23.631 -24.058 529 2HG GLN 76 2HG GLN 76 12.052 22.941 -22.465 530 2HE2 GLN 76 1HE2 GLN 76 10.368 22.249 -21.349 531 1HE2 GLN 76 2HE2 GLN 76 8.715 22.640 -21.665 532 H ASP 77 H ASP 77 15.873 25.532 -22.342 533 HA ASP 77 HA ASP 77 15.526 28.157 -21.053 534 1HB ASP 77 1HB ASP 77 16.167 25.708 -19.807 535 2HB ASP 77 2HB ASP 77 17.651 26.655 -19.833 536 H GLY 78 H GLY 78 18.136 25.923 -21.980 537 1HA GLY 78 1HA GLY 78 19.480 26.753 -23.960 538 2HA GLY 78 2HA GLY 78 19.601 28.251 -23.052 539 H HIS 79 H HIS 79 19.736 25.137 -21.475 540 HA HIS 79 HA HIS 79 22.577 25.637 -20.883 541 1HB HIS 79 1HB HIS 79 20.992 23.756 -19.212 542 2HB HIS 79 2HB HIS 79 22.266 24.875 -18.743 543 HD1 HIS 79 HD1 HIS 79 19.187 24.447 -17.618 544 HD2 HIS 79 HD2 HIS 79 20.785 27.660 -19.713 545 HE1 HIS 79 HE1 HIS 79 17.720 26.410 -17.062 546 HE2 HIS 79 HE2 HIS 79 18.663 28.327 -18.395 547 H LEU 80 H LEU 80 24.068 24.157 -21.438 548 HA LEU 80 HA LEU 80 23.602 22.149 -23.273 549 1HB LEU 80 1HB LEU 80 25.807 22.730 -21.344 550 2HB LEU 80 2HB LEU 80 25.801 21.174 -22.145 551 HG LEU 80 HG LEU 80 25.826 22.291 -24.335 552 1HD1 LEU 80 1HD1 LEU 80 25.595 24.706 -22.619 553 2HD1 LEU 80 2HD1 LEU 80 26.536 24.813 -24.106 554 3HD1 LEU 80 3HD1 LEU 80 24.837 24.342 -24.168 555 1HD2 LEU 80 1HD2 LEU 80 27.942 22.549 -22.312 556 2HD2 LEU 80 2HD2 LEU 80 27.988 21.829 -23.922 557 3HD2 LEU 80 3HD2 LEU 80 28.129 23.577 -23.733 558 H TRP 81 H TRP 81 22.747 20.153 -23.164 559 HA TRP 81 HA TRP 81 22.641 18.828 -20.542 560 1HB TRP 81 1HB TRP 81 20.354 18.168 -20.880 561 2HB TRP 81 2HB TRP 81 20.457 19.914 -21.085 562 HD1 TRP 81 HD1 TRP 81 19.741 20.905 -23.397 563 HE1 TRP 81 HE1 TRP 81 18.747 19.884 -25.540 564 HE3 TRP 81 HE3 TRP 81 20.465 15.949 -22.356 565 HZ2 TRP 81 HZ2 TRP 81 18.326 17.323 -26.646 566 HZ3 TRP 81 HZ3 TRP 81 19.737 14.279 -24.010 567 HH2 TRP 81 HH2 TRP 81 18.691 14.953 -26.110 568 H CYS 82 H CYS 82 22.784 16.622 -20.526 569 HA CYS 82 HA CYS 82 23.132 15.268 -23.116 570 1HB CYS 82 1HB CYS 82 24.876 13.842 -21.759 571 2HB CYS 82 2HB CYS 82 25.360 15.355 -22.510 572 H SER 83 H SER 83 22.896 12.874 -22.931 573 HA SER 83 HA SER 83 20.634 12.293 -21.210 574 1HB SER 83 1HB SER 83 20.031 10.987 -22.925 575 2HB SER 83 2HB SER 83 21.541 11.373 -23.749 576 HG SER 83 HG SER 83 20.906 9.048 -23.027 577 H THR 84 H THR 84 20.533 10.454 -19.805 578 HA THR 84 HA THR 84 23.185 9.654 -18.796 579 HB THR 84 HB THR 84 22.064 9.352 -16.571 580 HG1 THR 84 HG1 THR 84 19.959 10.706 -17.935 581 1HG2 THR 84 1HG2 THR 84 23.399 11.376 -17.232 582 2HG2 THR 84 2HG2 THR 84 21.874 12.171 -17.626 583 3HG2 THR 84 3HG2 THR 84 22.202 11.663 -15.969 584 H THR 85 H THR 85 20.444 8.566 -20.329 585 HA THR 85 HA THR 85 21.053 5.791 -19.573 586 HB THR 85 HB THR 85 18.356 7.106 -19.644 587 HG1 THR 85 HG1 THR 85 18.238 5.441 -17.833 588 1HG2 THR 85 1HG2 THR 85 18.963 4.240 -20.338 589 2HG2 THR 85 2HG2 THR 85 17.418 4.721 -19.634 590 3HG2 THR 85 3HG2 THR 85 17.921 5.382 -21.188 591 H SER 86 H SER 86 21.682 4.687 -21.303 592 HA SER 86 HA SER 86 21.966 5.486 -23.846 593 1HB SER 86 1HB SER 86 22.845 3.378 -23.525 594 2HB SER 86 2HB SER 86 21.415 2.795 -22.674 595 HG SER 86 HG SER 86 20.360 2.586 -24.624 596 H ASN 87 H ASN 87 18.989 4.377 -22.383 597 HA ASN 87 HA ASN 87 17.545 4.736 -24.904 598 1HB ASN 87 1HB ASN 87 17.284 2.907 -22.781 599 2HB ASN 87 2HB ASN 87 15.875 3.958 -22.680 600 2HD2 ASN 87 1HD2 ASN 87 14.971 4.440 -24.995 601 1HD2 ASN 87 2HD2 ASN 87 14.704 3.032 -25.959 602 H TYR 88 H TYR 88 18.166 7.120 -24.493 603 HA TYR 88 HA TYR 88 16.756 8.551 -22.481 604 1HB TYR 88 1HB TYR 88 18.664 9.650 -23.297 605 2HB TYR 88 2HB TYR 88 18.234 9.346 -24.977 606 HD1 TYR 88 HD1 TYR 88 16.294 10.612 -25.978 607 HD2 TYR 88 HD2 TYR 88 17.986 11.626 -22.210 608 HE1 TYR 88 HE1 TYR 88 15.258 12.837 -26.118 609 HE2 TYR 88 HE2 TYR 88 16.955 13.852 -22.340 610 HH TYR 88 HH TYR 88 14.851 14.839 -23.584 611 H GLU 89 H GLU 89 15.941 7.304 -25.565 612 HA GLU 89 HA GLU 89 13.792 9.087 -26.134 613 1HB GLU 89 2HB GLU 89 13.237 7.583 -27.929 614 2HB GLU 89 1HB GLU 89 14.180 6.289 -27.201 615 1HG GLU 89 1HG GLU 89 15.064 8.638 -28.768 616 2HG GLU 89 2HG GLU 89 16.118 8.089 -27.465 617 H GLN 90 H GLN 90 14.204 6.501 -23.995 618 HA GLN 90 HA GLN 90 11.303 6.084 -23.766 619 1HB GLN 90 1HB GLN 90 12.109 3.950 -24.000 620 2HB GLN 90 2HB GLN 90 13.670 4.349 -23.297 621 1HG GLN 90 1HG GLN 90 12.596 2.860 -21.811 622 2HG GLN 90 2HG GLN 90 12.540 4.460 -21.069 623 2HE2 GLN 90 1HE2 GLN 90 10.849 2.922 -19.951 624 1HE2 GLN 90 2HE2 GLN 90 9.231 3.123 -20.522 625 H ASP 91 H ASP 91 14.241 6.534 -21.838 626 HA ASP 91 HA ASP 91 12.749 7.054 -19.427 627 1HB ASP 91 1HB ASP 91 15.533 6.604 -20.153 628 2HB ASP 91 2HB ASP 91 15.359 7.923 -18.999 629 H GLN 92 H GLN 92 14.731 8.947 -21.674 630 HA GLN 92 HA GLN 92 14.686 11.150 -22.239 631 1HB GLN 92 1HB GLN 92 12.055 10.756 -20.976 632 2HB GLN 92 2HB GLN 92 12.638 12.414 -20.959 633 1HG GLN 92 1HG GLN 92 12.750 10.876 -23.503 634 2HG GLN 92 2HG GLN 92 11.199 11.499 -22.945 635 2HE2 GLN 92 1HE2 GLN 92 12.734 12.237 -25.294 636 1HE2 GLN 92 2HE2 GLN 92 13.045 13.931 -25.160 637 H LYS 93 H LYS 93 15.503 9.956 -19.407 638 HA LYS 93 HA LYS 93 15.670 12.399 -17.871 639 1HB LYS 93 1HB LYS 93 15.819 11.008 -16.135 640 2HB LYS 93 2HB LYS 93 15.679 9.665 -17.252 641 1HG LYS 93 1HG LYS 93 18.371 10.842 -16.780 642 2HG LYS 93 2HG LYS 93 17.650 9.827 -15.535 643 1HD LYS 93 1HD LYS 93 17.184 8.203 -17.525 644 2HD LYS 93 2HD LYS 93 18.480 9.107 -18.312 645 1HE LYS 93 1HE LYS 93 19.847 7.654 -17.280 646 2HE LYS 93 2HE LYS 93 19.545 8.634 -15.846 647 1HZ LYS 93 1HZ LYS 93 17.526 6.645 -16.303 648 2HZ LYS 93 2HZ LYS 93 19.063 5.978 -16.065 649 3HZ LYS 93 3HZ LYS 93 18.393 7.000 -14.895 650 H TYR 94 H TYR 94 17.046 13.871 -18.519 651 HA TYR 94 HA TYR 94 19.750 13.053 -19.353 652 1HB TYR 94 1HB TYR 94 19.805 15.071 -20.740 653 2HB TYR 94 2HB TYR 94 18.429 14.063 -21.172 654 HD1 TYR 94 HD1 TYR 94 19.436 17.128 -19.364 655 HD2 TYR 94 HD2 TYR 94 16.206 14.885 -20.984 656 HE1 TYR 94 HE1 TYR 94 17.943 19.053 -19.032 657 HE2 TYR 94 HE2 TYR 94 14.703 16.803 -20.659 658 HH TYR 94 HH TYR 94 14.793 18.938 -18.916 659 H SER 95 H SER 95 21.248 15.136 -19.176 660 HA SER 95 HA SER 95 20.808 16.350 -16.532 661 1HB SER 95 2HB SER 95 22.789 14.488 -17.110 662 2HB SER 95 1HB SER 95 22.758 15.577 -15.726 663 HG SER 95 HG SER 95 24.390 16.579 -16.560 664 H PHE 96 H PHE 96 22.969 17.993 -16.421 665 HA PHE 96 HA PHE 96 22.649 19.715 -18.790 666 1HB PHE 96 1HB PHE 96 22.384 20.339 -15.897 667 2HB PHE 96 2HB PHE 96 23.170 21.548 -16.908 668 HD1 PHE 96 HD1 PHE 96 21.620 21.167 -19.427 669 HD2 PHE 96 HD2 PHE 96 20.362 21.371 -15.368 670 HE1 PHE 96 HE1 PHE 96 19.421 21.993 -20.157 671 HE2 PHE 96 HE2 PHE 96 18.159 22.196 -16.088 672 HZ PHE 96 HZ PHE 96 17.688 22.509 -18.486 673 H CYS 97 H CYS 97 24.423 21.626 -18.429 674 HA CYS 97 HA CYS 97 26.962 20.639 -17.502 675 1HB CYS 97 1HB CYS 97 26.481 21.028 -20.459 676 2HB CYS 97 2HB CYS 97 28.071 20.860 -19.728 677 H THR 98 H THR 98 28.256 22.274 -16.940 678 HA THR 98 HA THR 98 27.290 24.926 -16.942 679 HB THR 98 HB THR 98 29.061 25.454 -15.616 680 HG1 THR 98 HG1 THR 98 30.657 23.738 -17.238 681 1HG2 THR 98 1HG2 THR 98 28.079 23.262 -14.825 682 2HG2 THR 98 2HG2 THR 98 29.483 22.473 -15.545 683 3HG2 THR 98 3HG2 THR 98 29.698 23.632 -14.233 684 H ASP 99 H ASP 99 29.051 23.119 -19.241 685 HA ASP 99 HA ASP 99 29.492 23.708 -21.434 686 1HB ASP 99 1HB ASP 99 29.386 26.618 -20.658 687 2HB ASP 99 2HB ASP 99 29.194 25.909 -22.258 688 H HIS 100 H HIS 100 30.929 25.994 -19.101 689 HA HIS 100 HA HIS 100 33.508 24.930 -19.254 690 1HB HIS 100 1HB HIS 100 33.287 25.861 -21.604 691 2HB HIS 100 2HB HIS 100 33.263 27.463 -20.875 692 HD1 HIS 100 HD1 HIS 100 35.511 26.140 -18.714 693 HD2 HIS 100 HD2 HIS 100 35.751 26.809 -22.808 694 HE1 HIS 100 HE1 HIS 100 37.968 26.259 -19.232 695 HE2 HIS 100 HE2 HIS 100 38.089 26.561 -21.731 696 H THR 101 H THR 101 32.502 28.330 -19.413 697 HA THR 101 HA THR 101 34.050 29.198 -17.269 698 HB THR 101 HB THR 101 31.923 30.937 -17.219 699 HG1 THR 101 HG1 THR 101 30.760 30.104 -18.871 700 1HG2 THR 101 1HG2 THR 101 34.545 31.058 -17.833 701 2HG2 THR 101 2HG2 THR 101 33.843 31.334 -19.428 702 3HG2 THR 101 3HG2 THR 101 33.425 32.396 -18.083 No H/Q in entry = 702 Start of MODEL 38 1 H1 TYR 1 H1 TYR 1 49.948 12.303 -44.511 2 H2 TYR 1 H2 TYR 1 48.620 13.349 -44.420 3 H3 TYR 1 H3 TYR 1 49.435 12.893 -43.009 4 HA TYR 1 HA TYR 1 47.383 11.684 -43.159 5 1HB TYR 1 1HB TYR 1 47.419 9.974 -45.185 6 2HB TYR 1 2HB TYR 1 46.779 11.602 -45.379 7 HD1 TYR 1 HD1 TYR 1 48.364 13.391 -46.312 8 HD2 TYR 1 HD2 TYR 1 49.163 9.218 -46.547 9 HE1 TYR 1 HE1 TYR 1 49.958 13.804 -48.139 10 HE2 TYR 1 HE2 TYR 1 50.760 9.621 -48.374 11 HH TYR 1 HH TYR 1 50.931 11.769 -50.230 12 H GLY 2 H GLY 2 47.271 9.660 -42.206 13 1HA GLY 2 1HA GLY 2 49.329 7.704 -42.470 14 2HA GLY 2 2HA GLY 2 49.518 8.625 -40.985 15 H HIS 3 H HIS 3 49.147 6.765 -39.739 16 HA HIS 3 HA HIS 3 46.308 6.010 -39.574 17 1HB HIS 3 1HB HIS 3 48.597 4.299 -40.105 18 2HB HIS 3 2HB HIS 3 47.732 3.790 -38.659 19 HD1 HIS 3 HD1 HIS 3 47.572 3.726 -42.321 20 HD2 HIS 3 HD2 HIS 3 44.961 3.126 -39.145 21 HE1 HIS 3 HE1 HIS 3 45.581 2.544 -43.302 22 HE2 HIS 3 HE2 HIS 3 44.069 2.087 -41.339 23 H CYS 4 H CYS 4 45.478 5.781 -37.520 24 HA CYS 4 HA CYS 4 47.329 6.451 -35.324 25 1HB CYS 4 1HB CYS 4 44.972 7.164 -34.265 26 2HB CYS 4 2HB CYS 4 45.956 8.263 -35.221 27 H VAL 5 H VAL 5 46.824 5.540 -33.219 28 HA VAL 5 HA VAL 5 44.897 3.541 -32.808 29 HB VAL 5 HB VAL 5 46.268 2.312 -34.472 30 1HG1 VAL 5 1HG1 VAL 5 48.412 3.369 -33.020 31 2HG1 VAL 5 2HG1 VAL 5 48.451 1.629 -32.732 32 3HG1 VAL 5 3HG1 VAL 5 48.486 2.250 -34.382 33 1HG2 VAL 5 1HG2 VAL 5 45.708 1.400 -31.733 34 2HG2 VAL 5 2HG2 VAL 5 45.216 0.716 -33.284 35 3HG2 VAL 5 3HG2 VAL 5 46.829 0.392 -32.651 36 H THR 6 H THR 6 44.905 2.753 -30.707 37 HA THR 6 HA THR 6 46.821 4.076 -28.919 38 HB THR 6 HB THR 6 45.211 3.853 -27.162 39 HG1 THR 6 HG1 THR 6 44.253 1.855 -28.741 40 1HG2 THR 6 1HG2 THR 6 44.782 5.378 -29.404 41 2HG2 THR 6 2HG2 THR 6 43.235 4.555 -29.199 42 3HG2 THR 6 3HG2 THR 6 43.900 5.525 -27.884 43 H ASP 7 H ASP 7 46.420 2.517 -26.653 44 HA ASP 7 HA ASP 7 48.086 0.237 -27.300 45 1HB ASP 7 1HB ASP 7 47.468 1.818 -24.906 46 2HB ASP 7 2HB ASP 7 47.622 0.091 -24.597 47 H SER 8 H SER 8 44.867 0.702 -27.385 48 HA SER 8 HA SER 8 44.058 -1.762 -26.080 49 1HB SER 8 1HB SER 8 42.662 0.569 -27.295 50 2HB SER 8 2HB SER 8 41.804 -0.972 -27.282 51 HG SER 8 HG SER 8 42.996 0.196 -24.989 52 H GLY 9 H GLY 9 44.701 -0.548 -29.286 53 1HA GLY 9 1HA GLY 9 45.413 -2.264 -30.907 54 2HA GLY 9 2HA GLY 9 44.045 -3.223 -30.362 55 H VAL 10 H VAL 10 43.064 -0.068 -30.420 56 HA VAL 10 HA VAL 10 41.444 -0.485 -32.751 57 HB VAL 10 HB VAL 10 41.671 2.213 -31.506 58 1HG1 VAL 10 1HG1 VAL 10 39.692 0.601 -32.962 59 2HG1 VAL 10 2HG1 VAL 10 39.041 1.572 -31.642 60 3HG1 VAL 10 3HG1 VAL 10 39.946 2.346 -32.942 61 1HG2 VAL 10 1HG2 VAL 10 40.767 -0.263 -30.103 62 2HG2 VAL 10 2HG2 VAL 10 41.677 1.114 -29.481 63 3HG2 VAL 10 3HG2 VAL 10 39.947 1.266 -29.785 64 H VAL 11 H VAL 11 42.480 -0.434 -34.665 65 HA VAL 11 HA VAL 11 44.631 1.410 -35.187 66 HB VAL 11 HB VAL 11 43.214 -0.590 -36.944 67 1HG1 VAL 11 1HG1 VAL 11 45.113 1.566 -37.623 68 2HG1 VAL 11 2HG1 VAL 11 45.443 -0.019 -38.326 69 3HG1 VAL 11 3HG1 VAL 11 43.893 0.771 -38.617 70 1HG2 VAL 11 1HG2 VAL 11 45.381 -0.742 -35.081 71 2HG2 VAL 11 2HG2 VAL 11 44.635 -2.030 -36.027 72 3HG2 VAL 11 3HG2 VAL 11 45.972 -1.100 -36.703 73 H TYR 12 H TYR 12 43.468 3.400 -34.842 74 HA TYR 12 HA TYR 12 41.288 4.149 -36.530 75 1HB TYR 12 1HB TYR 12 43.161 5.819 -34.838 76 2HB TYR 12 2HB TYR 12 41.736 6.448 -35.658 77 HD1 TYR 12 HD1 TYR 12 39.466 5.479 -35.009 78 HD2 TYR 12 HD2 TYR 12 42.995 4.867 -32.713 79 HE1 TYR 12 HE1 TYR 12 38.087 4.890 -33.057 80 HE2 TYR 12 HE2 TYR 12 41.627 4.274 -30.755 81 HH TYR 12 HH TYR 12 39.077 3.276 -30.524 82 H SER 13 H SER 13 41.586 6.314 -37.820 83 HA SER 13 HA SER 13 44.089 6.208 -39.351 84 1HB SER 13 1HB SER 13 41.315 5.848 -40.344 85 2HB SER 13 2HB SER 13 42.397 6.825 -41.336 86 HG SER 13 HG SER 13 42.636 4.720 -41.982 87 H VAL 14 H VAL 14 44.823 8.133 -40.168 88 HA VAL 14 HA VAL 14 44.679 10.429 -38.853 89 HB VAL 14 HB VAL 14 46.168 10.356 -40.677 90 1HG1 VAL 14 1HG1 VAL 14 43.735 9.892 -42.381 91 2HG1 VAL 14 2HG1 VAL 14 45.298 10.352 -43.058 92 3HG1 VAL 14 3HG1 VAL 14 45.135 8.842 -42.161 93 1HG2 VAL 14 1HG2 VAL 14 45.082 12.590 -40.164 94 2HG2 VAL 14 2HG2 VAL 14 45.873 12.445 -41.733 95 3HG2 VAL 14 3HG2 VAL 14 44.116 12.343 -41.618 96 H GLY 15 H GLY 15 42.635 10.815 -37.943 97 1HA GLY 15 1HA GLY 15 40.921 12.499 -38.069 98 2HA GLY 15 2HA GLY 15 40.781 12.166 -39.785 99 H MET 16 H MET 16 40.700 10.095 -36.897 100 HA MET 16 HA MET 16 37.994 9.253 -37.685 101 1HB MET 16 1HB MET 16 40.393 7.561 -37.129 102 2HB MET 16 2HB MET 16 38.804 6.953 -36.687 103 1HG MET 16 1HG MET 16 38.731 7.998 -39.350 104 2HG MET 16 2HG MET 16 40.059 6.850 -39.192 105 1HE MET 16 1HE MET 16 39.836 4.833 -37.824 106 2HE MET 16 2HE MET 16 38.331 4.396 -37.012 107 3HE MET 16 3HE MET 16 38.781 3.604 -38.523 108 H GLN 17 H GLN 17 38.123 11.158 -35.902 109 HA GLN 17 HA GLN 17 38.640 11.032 -33.323 110 1HB GLN 17 1HB GLN 17 36.438 12.121 -34.852 111 2HB GLN 17 2HB GLN 17 35.915 11.664 -33.236 112 1HG GLN 17 1HG GLN 17 37.811 12.993 -32.324 113 2HG GLN 17 2HG GLN 17 38.138 13.554 -33.963 114 2HE2 GLN 17 1HE2 GLN 17 36.822 14.487 -31.190 115 1HE2 GLN 17 2HE2 GLN 17 35.581 15.547 -31.756 116 H TRP 18 H TRP 18 38.102 9.964 -31.477 117 HA TRP 18 HA TRP 18 35.931 8.041 -31.475 118 1HB TRP 18 1HB TRP 18 37.258 6.126 -30.929 119 2HB TRP 18 2HB TRP 18 37.928 6.826 -32.398 120 HD1 TRP 18 HD1 TRP 18 38.758 6.177 -28.738 121 HE1 TRP 18 HE1 TRP 18 41.261 6.626 -28.364 122 HE3 TRP 18 HE3 TRP 18 39.899 8.258 -33.265 123 HZ2 TRP 18 HZ2 TRP 18 43.440 7.721 -29.801 124 HZ3 TRP 18 HZ3 TRP 18 42.210 8.980 -33.685 125 HH2 TRP 18 HH2 TRP 18 43.942 8.717 -31.986 126 H LEU 19 H LEU 19 36.301 6.715 -29.202 127 HA LEU 19 HA LEU 19 36.835 8.753 -27.146 128 1HB LEU 19 1HB LEU 19 34.322 7.848 -27.820 129 2HB LEU 19 2HB LEU 19 34.745 6.826 -26.465 130 HG LEU 19 HG LEU 19 35.260 8.928 -25.166 131 1HD1 LEU 19 1HD1 LEU 19 35.176 10.182 -27.547 132 2HD1 LEU 19 2HD1 LEU 19 33.537 10.485 -26.971 133 3HD1 LEU 19 3HD1 LEU 19 34.921 10.985 -25.999 134 1HD2 LEU 19 1HD2 LEU 19 33.017 7.532 -25.323 135 2HD2 LEU 19 2HD2 LEU 19 33.126 9.015 -24.374 136 3HD2 LEU 19 3HD2 LEU 19 32.409 9.050 -25.985 137 H LYS 20 H LYS 20 37.248 7.861 -25.000 138 HA LYS 20 HA LYS 20 37.901 5.045 -24.834 139 1HB LYS 20 1HB LYS 20 40.206 5.221 -24.515 140 2HB LYS 20 2HB LYS 20 39.895 6.295 -25.870 141 1HG LYS 20 1HG LYS 20 40.223 8.207 -24.593 142 2HG LYS 20 2HG LYS 20 39.984 7.345 -23.071 143 1HD LYS 20 1HD LYS 20 42.266 6.640 -24.876 144 2HD LYS 20 2HD LYS 20 42.385 8.015 -23.774 145 1HE LYS 20 1HE LYS 20 42.627 6.695 -21.983 146 2HE LYS 20 2HE LYS 20 41.335 5.613 -22.502 147 1HZ LYS 20 1HZ LYS 20 43.478 5.199 -24.218 148 2HZ LYS 20 2HZ LYS 20 44.124 5.230 -22.655 149 3HZ LYS 20 3HZ LYS 20 42.885 4.144 -23.035 150 H THR 21 H THR 21 38.271 4.315 -22.704 151 HA THR 21 HA THR 21 37.329 6.199 -20.650 152 HB THR 21 HB THR 21 37.177 3.651 -19.549 153 HG1 THR 21 HG1 THR 21 36.296 3.608 -22.264 154 1HG2 THR 21 1HG2 THR 21 35.556 5.770 -19.770 155 2HG2 THR 21 2HG2 THR 21 34.780 4.703 -20.939 156 3HG2 THR 21 3HG2 THR 21 34.980 4.180 -19.266 157 H GLN 22 H GLN 22 38.070 5.323 -18.353 158 HA GLN 22 HA GLN 22 40.921 4.626 -18.466 159 1HB GLN 22 2HB GLN 22 41.450 6.318 -16.794 160 2HB GLN 22 1HB GLN 22 39.766 6.822 -16.740 161 1HG GLN 22 1HG GLN 22 40.945 6.893 -19.413 162 2HG GLN 22 2HG GLN 22 39.956 8.085 -18.572 163 2HE2 GLN 22 1HE2 GLN 22 41.040 9.393 -16.932 164 1HE2 GLN 22 2HE2 GLN 22 42.697 9.821 -17.169 165 H GLY 23 H GLY 23 38.293 3.295 -17.686 166 1HA GLY 23 1HA GLY 23 37.832 1.581 -16.200 167 2HA GLY 23 2HA GLY 23 39.345 1.937 -15.380 168 H ASN 24 H ASN 24 37.473 4.706 -15.766 169 HA ASN 24 HA ASN 24 35.745 4.415 -13.515 170 1HB ASN 24 1HB ASN 24 38.473 5.290 -13.048 171 2HB ASN 24 2HB ASN 24 37.312 6.523 -12.562 172 2HD2 ASN 24 1HD2 ASN 24 35.438 5.652 -11.258 173 1HD2 ASN 24 2HD2 ASN 24 35.824 4.497 -10.033 174 H LYS 25 H LYS 25 37.494 6.575 -15.681 175 HA LYS 25 HA LYS 25 35.085 8.265 -15.819 176 1HB LYS 25 1HB LYS 25 37.970 9.156 -15.977 177 2HB LYS 25 2HB LYS 25 36.580 10.194 -16.266 178 1HG LYS 25 2HG LYS 25 36.020 9.130 -13.806 179 2HG LYS 25 1HG LYS 25 36.733 10.715 -14.109 180 1HD LYS 25 1HD LYS 25 38.196 8.144 -13.533 181 2HD LYS 25 2HD LYS 25 38.983 9.646 -14.019 182 1HE LYS 25 1HE LYS 25 37.286 10.340 -11.911 183 2HE LYS 25 2HE LYS 25 38.039 8.823 -11.423 184 1HZ LYS 25 1HZ LYS 25 39.966 10.545 -12.568 185 2HZ LYS 25 2HZ LYS 25 39.149 11.354 -11.328 186 3HZ LYS 25 3HZ LYS 25 39.923 9.883 -11.011 187 H GLN 26 H GLN 26 35.667 9.862 -17.898 188 HA GLN 26 HA GLN 26 36.007 7.971 -20.129 189 1HB GLN 26 1HB GLN 26 34.318 10.456 -19.866 190 2HB GLN 26 2HB GLN 26 34.659 9.710 -21.421 191 1HG GLN 26 1HG GLN 26 32.845 8.482 -21.089 192 2HG GLN 26 2HG GLN 26 33.777 7.603 -19.876 193 2HE2 GLN 26 1HE2 GLN 26 32.100 10.730 -20.079 194 1HE2 GLN 26 2HE2 GLN 26 31.243 10.558 -18.589 195 H MET 27 H MET 27 36.748 9.076 -22.200 196 HA MET 27 HA MET 27 38.314 11.456 -21.981 197 1HB MET 27 1HB MET 27 39.614 9.351 -20.935 198 2HB MET 27 2HB MET 27 40.047 9.138 -22.625 199 1HG MET 27 1HG MET 27 40.435 11.849 -22.107 200 2HG MET 27 2HG MET 27 41.064 11.002 -20.694 201 1HE MET 27 1HE MET 27 43.022 10.607 -20.388 202 2HE MET 27 2HE MET 27 44.018 9.495 -21.327 203 3HE MET 27 3HE MET 27 44.245 11.236 -21.492 204 H LEU 28 H LEU 28 38.093 12.373 -23.888 205 HA LEU 28 HA LEU 28 37.454 10.793 -26.242 206 1HB LEU 28 1HB LEU 28 36.482 13.120 -25.436 207 2HB LEU 28 2HB LEU 28 37.865 13.749 -26.313 208 HG LEU 28 HG LEU 28 36.575 11.853 -27.982 209 1HD1 LEU 28 1HD1 LEU 28 34.715 12.807 -26.227 210 2HD1 LEU 28 2HD1 LEU 28 34.582 13.950 -27.563 211 3HD1 LEU 28 3HD1 LEU 28 34.374 12.225 -27.855 212 1HD2 LEU 28 1HD2 LEU 28 37.465 14.618 -28.008 213 2HD2 LEU 28 2HD2 LEU 28 37.465 13.416 -29.298 214 3HD2 LEU 28 3HD2 LEU 28 36.012 14.362 -28.975 215 H CYS 29 H CYS 29 38.881 10.302 -27.835 216 HA CYS 29 HA CYS 29 41.421 11.774 -27.865 217 1HB CYS 29 1HB CYS 29 41.507 9.433 -26.800 218 2HB CYS 29 2HB CYS 29 41.322 8.835 -28.444 219 H THR 30 H THR 30 42.282 12.276 -29.783 220 HA THR 30 HA THR 30 40.968 11.263 -32.213 221 HB THR 30 HB THR 30 41.626 14.173 -31.721 222 HG1 THR 30 HG1 THR 30 39.295 14.372 -31.842 223 1HG2 THR 30 1HG2 THR 30 40.555 12.673 -34.097 224 2HG2 THR 30 2HG2 THR 30 40.261 14.398 -33.881 225 3HG2 THR 30 3HG2 THR 30 41.914 13.797 -34.023 226 H CYS 31 H CYS 31 42.223 11.424 -34.133 227 HA CYS 31 HA CYS 31 45.100 11.789 -33.629 228 1HB CYS 31 1HB CYS 31 45.496 10.114 -35.433 229 2HB CYS 31 2HB CYS 31 44.708 9.447 -34.009 230 H LEU 32 H LEU 32 45.672 13.640 -34.485 231 HA LEU 32 HA LEU 32 44.292 14.791 -36.725 232 1HB LEU 32 1HB LEU 32 46.420 16.411 -36.429 233 2HB LEU 32 2HB LEU 32 44.957 16.538 -35.471 234 HG LEU 32 HG LEU 32 47.124 14.774 -34.448 235 1HD1 LEU 32 1HD1 LEU 32 47.380 17.679 -34.867 236 2HD1 LEU 32 2HD1 LEU 32 47.828 17.074 -33.272 237 3HD1 LEU 32 3HD1 LEU 32 48.620 16.435 -34.712 238 1HD2 LEU 32 1HD2 LEU 32 44.686 15.655 -33.513 239 2HD2 LEU 32 2HD2 LEU 32 45.968 14.926 -32.547 240 3HD2 LEU 32 3HD2 LEU 32 45.844 16.681 -32.667 241 H GLY 33 H GLY 33 47.792 14.937 -36.525 242 1HA GLY 33 1HA GLY 33 48.040 13.253 -38.908 243 2HA GLY 33 2HA GLY 33 48.567 14.923 -39.031 244 H ASN 34 H ASN 34 49.777 15.296 -36.590 245 HA ASN 34 HA ASN 34 52.253 13.900 -37.016 246 1HB ASN 34 1HB ASN 34 53.224 15.440 -35.561 247 2HB ASN 34 2HB ASN 34 51.903 16.365 -36.269 248 2HD2 ASN 34 1HD2 ASN 34 52.994 14.637 -33.435 249 1HD2 ASN 34 2HD2 ASN 34 51.894 15.373 -32.326 250 H GLY 35 H GLY 35 49.569 13.696 -34.796 251 1HA GLY 35 1HA GLY 35 50.465 11.136 -33.869 252 2HA GLY 35 2HA GLY 35 50.619 12.376 -32.636 253 H VAL 36 H VAL 36 49.064 11.854 -31.222 254 HA VAL 36 HA VAL 36 46.298 12.048 -32.139 255 HB VAL 36 HB VAL 36 47.421 9.688 -30.634 256 1HG1 VAL 36 1HG1 VAL 36 45.381 10.587 -29.518 257 2HG1 VAL 36 2HG1 VAL 36 44.500 10.310 -31.019 258 3HG1 VAL 36 3HG1 VAL 36 45.202 8.949 -30.146 259 1HG2 VAL 36 1HG2 VAL 36 46.339 10.168 -33.316 260 2HG2 VAL 36 2HG2 VAL 36 47.458 8.931 -32.745 261 3HG2 VAL 36 3HG2 VAL 36 45.722 8.724 -32.511 262 H SER 37 H SER 37 45.170 13.340 -30.834 263 HA SER 37 HA SER 37 46.170 13.765 -28.094 264 1HB SER 37 1HB SER 37 46.392 15.723 -29.673 265 2HB SER 37 2HB SER 37 44.631 15.772 -29.752 266 HG SER 37 HG SER 37 46.010 17.036 -28.047 267 H CYS 38 H CYS 38 44.734 13.733 -26.415 268 HA CYS 38 HA CYS 38 41.897 13.306 -27.046 269 1HB CYS 38 1HB CYS 38 42.777 11.746 -24.759 270 2HB CYS 38 2HB CYS 38 41.829 11.241 -26.140 271 H GLN 39 H GLN 39 40.423 13.970 -25.465 272 HA GLN 39 HA GLN 39 41.562 15.834 -23.500 273 1HB GLN 39 1HB GLN 39 39.148 15.815 -25.167 274 2HB GLN 39 2HB GLN 39 38.856 16.296 -23.501 275 1HG GLN 39 1HG GLN 39 41.183 17.636 -24.444 276 2HG GLN 39 2HG GLN 39 39.885 17.843 -25.622 277 2HE2 GLN 39 1HE2 GLN 39 40.131 17.740 -22.077 278 1HE2 GLN 39 2HE2 GLN 39 39.234 19.192 -21.804 279 H GLU 40 H GLU 40 41.659 15.187 -21.465 280 HA GLU 40 HA GLU 40 40.385 12.832 -20.523 281 1HB GLU 40 2HB GLU 40 42.545 13.597 -19.644 282 2HB GLU 40 1HB GLU 40 41.361 13.392 -18.361 283 1HG GLU 40 1HG GLU 40 42.891 15.690 -19.031 284 2HG GLU 40 2HG GLU 40 41.183 16.068 -19.252 285 H THR 41 H THR 41 38.332 12.634 -19.981 286 HA THR 41 HA THR 41 36.358 13.009 -18.878 287 HB THR 41 HB THR 41 37.481 15.701 -18.083 288 HG1 THR 41 HG1 THR 41 37.645 13.127 -16.944 289 1HG2 THR 41 1HG2 THR 41 34.906 15.115 -18.063 290 2HG2 THR 41 2HG2 THR 41 35.349 14.272 -16.578 291 3HG2 THR 41 3HG2 THR 41 35.655 16.002 -16.734 292 H ALA 42 H ALA 42 37.650 15.803 -20.653 293 HA ALA 42 HA ALA 42 36.763 16.990 -22.395 294 1HB ALA 42 1HB ALA 42 35.754 14.646 -22.931 295 2HB ALA 42 2HB ALA 42 34.251 15.368 -22.354 296 3HB ALA 42 3HB ALA 42 35.104 16.082 -23.723 297 H VAL 43 H VAL 43 33.931 17.538 -22.775 298 HA VAL 43 HA VAL 43 32.537 19.254 -22.161 299 HB VAL 43 HB VAL 43 31.357 18.885 -20.086 300 1HG1 VAL 43 1HG1 VAL 43 31.586 17.047 -22.114 301 2HG1 VAL 43 2HG1 VAL 43 31.812 16.069 -20.664 302 3HG1 VAL 43 3HG1 VAL 43 30.354 17.043 -20.851 303 1HG2 VAL 43 1HG2 VAL 43 33.498 18.485 -18.773 304 2HG2 VAL 43 2HG2 VAL 43 32.099 17.504 -18.334 305 3HG2 VAL 43 3HG2 VAL 43 33.387 16.811 -19.317 306 H THR 44 H THR 44 32.070 20.583 -19.805 307 HA THR 44 HA THR 44 33.962 21.499 -18.163 308 HB THR 44 HB THR 44 35.616 21.924 -19.777 309 HG1 THR 44 HG1 THR 44 35.800 23.748 -18.692 310 1HG2 THR 44 1HG2 THR 44 33.466 22.235 -21.541 311 2HG2 THR 44 2HG2 THR 44 34.301 23.788 -21.547 312 3HG2 THR 44 3HG2 THR 44 35.184 22.311 -21.933 313 H GLN 45 H GLN 45 33.798 23.980 -17.700 314 HA GLN 45 HA GLN 45 32.326 25.492 -16.791 315 1HB GLN 45 1HB GLN 45 31.665 25.527 -19.736 316 2HB GLN 45 2HB GLN 45 31.060 26.726 -18.600 317 1HG GLN 45 1HG GLN 45 33.989 26.231 -18.732 318 2HG GLN 45 2HG GLN 45 33.221 27.157 -20.021 319 2HE2 GLN 45 1HE2 GLN 45 33.364 29.251 -19.718 320 1HE2 GLN 45 2HE2 GLN 45 33.323 30.073 -18.198 321 H THR 46 H THR 46 30.024 24.693 -19.298 322 HA THR 46 HA THR 46 27.871 23.962 -19.232 323 HB THR 46 HB THR 46 27.522 22.231 -17.184 324 HG1 THR 46 HG1 THR 46 30.253 21.868 -17.828 325 1HG2 THR 46 1HG2 THR 46 28.663 21.941 -19.923 326 2HG2 THR 46 2HG2 THR 46 28.620 20.529 -18.868 327 3HG2 THR 46 3HG2 THR 46 27.124 21.369 -19.277 328 H TYR 47 H TYR 47 26.127 25.030 -18.577 329 HA TYR 47 HA TYR 47 26.077 26.044 -15.813 330 1HB TYR 47 1HB TYR 47 24.399 27.745 -17.014 331 2HB TYR 47 2HB TYR 47 26.131 28.038 -16.911 332 HD1 TYR 47 HD1 TYR 47 27.557 27.766 -18.893 333 HD2 TYR 47 HD2 TYR 47 23.343 27.216 -19.114 334 HE1 TYR 47 HE1 TYR 47 27.669 27.930 -21.343 335 HE2 TYR 47 HE2 TYR 47 23.446 27.381 -21.564 336 HH TYR 47 HH TYR 47 25.970 26.939 -23.335 337 H GLY 48 H GLY 48 24.290 24.511 -18.393 338 1HA GLY 48 1HA GLY 48 22.545 22.975 -18.060 339 2HA GLY 48 2HA GLY 48 22.329 23.610 -16.438 340 H GLY 49 H GLY 49 21.185 23.627 -19.631 341 1HA GLY 49 1HA GLY 49 19.914 26.147 -19.731 342 2HA GLY 49 2HA GLY 49 19.460 24.734 -20.664 343 H ASN 50 H ASN 50 18.492 22.958 -19.099 344 HA ASN 50 HA ASN 50 16.398 24.303 -17.523 345 1HB ASN 50 1HB ASN 50 15.850 22.964 -19.724 346 2HB ASN 50 2HB ASN 50 16.005 21.564 -18.668 347 2HD2 ASN 50 1HD2 ASN 50 13.869 20.998 -18.749 348 1HD2 ASN 50 2HD2 ASN 50 12.614 21.938 -18.024 349 H SER 51 H SER 51 19.146 22.596 -17.178 350 HA SER 51 HA SER 51 18.180 21.207 -14.775 351 1HB SER 51 1HB SER 51 20.227 20.412 -16.809 352 2HB SER 51 2HB SER 51 20.375 19.831 -15.150 353 HG SER 51 HG SER 51 19.138 18.480 -16.667 354 H ASN 52 H ASN 52 21.552 21.456 -15.473 355 HA ASN 52 HA ASN 52 22.207 23.871 -14.274 356 1HB ASN 52 1HB ASN 52 21.087 22.627 -12.307 357 2HB ASN 52 2HB ASN 52 22.552 21.649 -12.275 358 2HD2 ASN 52 1HD2 ASN 52 21.088 24.293 -11.003 359 1HD2 ASN 52 2HD2 ASN 52 22.477 25.155 -10.443 360 H GLY 53 H GLY 53 23.027 21.892 -16.306 361 1HA GLY 53 1HA GLY 53 25.133 21.631 -17.302 362 2HA GLY 53 2HA GLY 53 25.885 22.029 -15.764 363 H GLU 54 H GLU 54 26.056 20.395 -14.150 364 HA GLU 54 HA GLU 54 26.672 18.308 -13.476 365 1HB GLU 54 1HB GLU 54 24.045 17.997 -14.800 366 2HB GLU 54 2HB GLU 54 24.951 16.513 -14.538 367 1HG GLU 54 1HG GLU 54 25.071 18.019 -12.148 368 2HG GLU 54 2HG GLU 54 23.395 18.003 -12.691 369 HA PRO 55 HA PRO 55 29.175 16.257 -16.455 370 1HB PRO 55 1HB PRO 55 29.061 13.645 -15.725 371 2HB PRO 55 2HB PRO 55 29.925 14.866 -14.783 372 1HG PRO 55 2HG PRO 55 28.473 14.047 -13.160 373 2HG PRO 55 1HG PRO 55 27.194 13.718 -14.345 374 1HD PRO 55 1HD PRO 55 26.364 15.706 -13.522 375 2HD PRO 55 2HD PRO 55 27.973 16.297 -13.059 376 H CYS 56 H CYS 56 28.269 16.413 -18.462 377 HA CYS 56 HA CYS 56 25.926 15.436 -19.426 378 1HB CYS 56 1HB CYS 56 28.508 15.398 -20.993 379 2HB CYS 56 2HB CYS 56 26.876 15.516 -21.644 380 H VAL 57 H VAL 57 25.528 13.604 -20.948 381 HA VAL 57 HA VAL 57 26.915 11.166 -20.041 382 HB VAL 57 HB VAL 57 24.600 11.437 -19.111 383 1HG1 VAL 57 1HG1 VAL 57 23.995 12.061 -21.793 384 2HG1 VAL 57 2HG1 VAL 57 23.160 10.555 -21.411 385 3HG1 VAL 57 3HG1 VAL 57 22.897 11.987 -20.416 386 1HG2 VAL 57 1HG2 VAL 57 25.392 9.108 -20.818 387 2HG2 VAL 57 2HG2 VAL 57 25.376 9.251 -19.060 388 3HG2 VAL 57 3HG2 VAL 57 23.858 9.100 -19.945 389 H LEU 58 H LEU 58 28.189 11.810 -22.061 390 HA LEU 58 HA LEU 58 26.845 10.727 -24.446 391 1HB LEU 58 1HB LEU 58 28.877 11.991 -25.575 392 2HB LEU 58 2HB LEU 58 27.371 12.803 -25.195 393 HG LEU 58 HG LEU 58 29.364 14.123 -24.587 394 1HD1 LEU 58 1HD1 LEU 58 27.065 13.664 -23.094 395 2HD1 LEU 58 2HD1 LEU 58 28.383 13.689 -21.922 396 3HD1 LEU 58 3HD1 LEU 58 28.139 15.060 -23.004 397 1HD2 LEU 58 1HD2 LEU 58 30.331 11.696 -23.638 398 2HD2 LEU 58 2HD2 LEU 58 31.081 13.281 -23.448 399 3HD2 LEU 58 3HD2 LEU 58 30.020 12.652 -22.188 400 HA PRO 59 HA PRO 59 28.102 10.714 -26.676 401 1HB PRO 59 2HB PRO 59 28.767 9.473 -28.453 402 2HB PRO 59 1HB PRO 59 28.013 8.016 -27.812 403 1HG PRO 59 1HG PRO 59 30.233 7.423 -27.520 404 2HG PRO 59 2HG PRO 59 30.751 9.109 -27.327 405 1HD PRO 59 1HD PRO 59 29.430 7.296 -25.338 406 2HD PRO 59 2HD PRO 59 30.793 8.412 -25.105 407 H PHE 60 H PHE 60 25.989 10.922 -27.127 408 HA PHE 60 HA PHE 60 24.151 8.889 -26.040 409 1HB PHE 60 1HB PHE 60 22.512 10.907 -25.975 410 2HB PHE 60 2HB PHE 60 23.723 10.760 -24.707 411 HD1 PHE 60 HD1 PHE 60 23.175 12.361 -28.021 412 HD2 PHE 60 HD2 PHE 60 25.071 12.574 -24.218 413 HE1 PHE 60 HE1 PHE 60 23.983 14.623 -28.555 414 HE2 PHE 60 HE2 PHE 60 25.881 14.838 -24.744 415 HZ PHE 60 HZ PHE 60 25.339 15.864 -26.917 416 H THR 61 H THR 61 21.822 9.461 -27.148 417 HA THR 61 HA THR 61 22.326 9.633 -30.045 418 HB THR 61 HB THR 61 20.042 7.949 -29.333 419 HG1 THR 61 HG1 THR 61 22.655 6.966 -28.754 420 1HG2 THR 61 1HG2 THR 61 22.470 7.587 -31.091 421 2HG2 THR 61 2HG2 THR 61 21.114 6.463 -31.010 422 3HG2 THR 61 3HG2 THR 61 20.863 8.106 -31.600 423 H TYR 62 H TYR 62 21.143 11.101 -31.053 424 HA TYR 62 HA TYR 62 18.479 11.765 -30.073 425 1HB TYR 62 1HB TYR 62 19.772 13.388 -28.888 426 2HB TYR 62 2HB TYR 62 20.730 13.763 -30.317 427 HD1 TYR 62 HD1 TYR 62 17.311 14.011 -28.892 428 HD2 TYR 62 HD2 TYR 62 20.053 15.449 -31.808 429 HE1 TYR 62 HE1 TYR 62 15.751 15.827 -29.452 430 HE2 TYR 62 HE2 TYR 62 18.503 17.271 -32.375 431 HH TYR 62 HH TYR 62 16.065 17.731 -32.218 432 H ASN 63 H ASN 63 17.093 12.060 -31.696 433 HA ASN 63 HA ASN 63 16.249 12.429 -33.779 434 1HB ASN 63 1HB ASN 63 17.936 14.424 -33.586 435 2HB ASN 63 2HB ASN 63 18.878 13.493 -34.746 436 2HD2 ASN 63 1HD2 ASN 63 15.825 15.104 -34.179 437 1HD2 ASN 63 2HD2 ASN 63 15.408 15.314 -35.842 438 H GLY 64 H GLY 64 18.476 10.250 -33.002 439 1HA GLY 64 1HA GLY 64 18.475 8.131 -34.149 440 2HA GLY 64 2HA GLY 64 18.364 9.005 -35.669 441 H ARG 65 H ARG 65 20.506 10.790 -34.059 442 HA ARG 65 HA ARG 65 22.771 9.245 -35.120 443 1HB ARG 65 1HB ARG 65 23.917 11.264 -35.514 444 2HB ARG 65 2HB ARG 65 22.267 11.568 -36.035 445 1HG ARG 65 1HG ARG 65 21.902 12.571 -33.720 446 2HG ARG 65 2HG ARG 65 23.660 12.551 -33.571 447 1HD ARG 65 1HD ARG 65 23.560 14.575 -34.534 448 2HD ARG 65 2HD ARG 65 23.330 13.673 -36.031 449 HE ARG 65 HE ARG 65 20.900 14.263 -34.586 450 1HH1 ARG 65 1HH1 ARG 65 23.158 15.328 -37.016 451 2HH1 ARG 65 2HH1 ARG 65 22.019 16.368 -37.804 452 1HH2 ARG 65 1HH2 ARG 65 19.393 15.628 -35.617 453 2HH2 ARG 65 2HH2 ARG 65 19.879 16.540 -37.007 454 H THR 66 H THR 66 24.822 10.639 -33.841 455 HA THR 66 HA THR 66 24.373 10.291 -30.977 456 HB THR 66 HB THR 66 26.623 8.867 -32.410 457 HG1 THR 66 HG1 THR 66 24.325 8.031 -32.568 458 1HG2 THR 66 1HG2 THR 66 26.620 9.733 -29.847 459 2HG2 THR 66 2HG2 THR 66 25.870 8.150 -29.651 460 3HG2 THR 66 3HG2 THR 66 27.464 8.286 -30.393 461 H PHE 67 H PHE 67 25.835 11.410 -29.662 462 HA PHE 67 HA PHE 67 27.850 13.040 -31.032 463 1HB PHE 67 1HB PHE 67 26.170 14.276 -28.881 464 2HB PHE 67 2HB PHE 67 27.099 15.059 -30.153 465 HD1 PHE 67 HD1 PHE 67 24.287 12.589 -29.964 466 HD2 PHE 67 HD2 PHE 67 25.855 16.137 -31.723 467 HE1 PHE 67 HE1 PHE 67 22.250 12.814 -31.323 468 HE2 PHE 67 HE2 PHE 67 23.821 16.363 -33.086 469 HZ PHE 67 HZ PHE 67 22.017 14.703 -32.889 470 H TYR 68 H TYR 68 29.751 12.804 -30.095 471 HA TYR 68 HA TYR 68 30.081 11.460 -27.603 472 1HB TYR 68 1HB TYR 68 31.912 12.773 -29.581 473 2HB TYR 68 2HB TYR 68 32.528 12.338 -27.992 474 HD1 TYR 68 HD1 TYR 68 29.959 10.273 -29.561 475 HD2 TYR 68 HD2 TYR 68 34.137 10.801 -28.993 476 HE1 TYR 68 HE1 TYR 68 30.349 7.975 -30.346 477 HE2 TYR 68 HE2 TYR 68 34.546 8.515 -29.772 478 HH TYR 68 HH TYR 68 32.384 6.729 -31.452 479 H SER 69 H SER 69 29.464 14.678 -28.438 480 HA SER 69 HA SER 69 29.878 15.515 -25.689 481 1HB SER 69 1HB SER 69 31.763 16.164 -27.719 482 2HB SER 69 2HB SER 69 30.892 17.640 -27.304 483 HG SER 69 HG SER 69 32.155 17.691 -25.634 484 H CYS 70 H CYS 70 29.558 18.264 -26.142 485 HA CYS 70 HA CYS 70 26.782 18.500 -26.244 486 1HB CYS 70 2HB CYS 70 27.099 20.800 -26.000 487 2HB CYS 70 1HB CYS 70 28.582 20.797 -26.945 488 H THR 71 H THR 71 25.622 20.008 -27.811 489 HA THR 71 HA THR 71 26.559 20.188 -30.495 490 HB THR 71 HB THR 71 26.024 17.750 -30.384 491 HG1 THR 71 HG1 THR 71 25.550 19.385 -32.265 492 1HG2 THR 71 1HG2 THR 71 23.489 18.835 -29.369 493 2HG2 THR 71 2HG2 THR 71 23.314 17.586 -30.602 494 3HG2 THR 71 3HG2 THR 71 24.221 17.248 -29.128 495 H THR 72 H THR 72 25.260 21.491 -31.760 496 HA THR 72 HA THR 72 22.976 22.704 -30.356 497 HB THR 72 HB THR 72 23.371 24.559 -32.145 498 HG1 THR 72 HG1 THR 72 25.211 24.462 -33.219 499 1HG2 THR 72 1HG2 THR 72 24.058 24.309 -29.534 500 2HG2 THR 72 2HG2 THR 72 25.637 24.597 -30.266 501 3HG2 THR 72 3HG2 THR 72 24.333 25.762 -30.494 502 H GLU 73 H GLU 73 22.243 20.421 -31.474 503 HA GLU 73 HA GLU 73 21.175 21.044 -34.137 504 1HB GLU 73 1HB GLU 73 21.432 18.384 -32.727 505 2HB GLU 73 2HB GLU 73 20.791 18.616 -34.348 506 1HG GLU 73 1HG GLU 73 23.542 19.558 -33.671 507 2HG GLU 73 2HG GLU 73 23.242 17.860 -34.031 508 H GLY 74 H GLY 74 20.183 19.567 -31.059 509 1HA GLY 74 1HA GLY 74 17.392 20.213 -31.763 510 2HA GLY 74 2HA GLY 74 17.867 18.900 -30.701 511 H ARG 75 H ARG 75 18.097 22.425 -30.976 512 HA ARG 75 HA ARG 75 17.369 22.628 -28.148 513 1HB ARG 75 1HB ARG 75 19.090 24.598 -28.107 514 2HB ARG 75 2HB ARG 75 19.630 22.947 -27.849 515 1HG ARG 75 1HG ARG 75 20.710 22.834 -29.856 516 2HG ARG 75 2HG ARG 75 19.635 24.004 -30.623 517 1HD ARG 75 1HD ARG 75 20.938 25.368 -28.541 518 2HD ARG 75 2HD ARG 75 22.178 24.424 -29.365 519 HE ARG 75 HE ARG 75 22.082 25.998 -30.996 520 1HH1 ARG 75 1HH1 ARG 75 18.908 25.719 -29.587 521 2HH1 ARG 75 2HH1 ARG 75 18.195 26.890 -30.644 522 1HH2 ARG 75 1HH2 ARG 75 21.151 27.542 -32.393 523 2HH2 ARG 75 2HH2 ARG 75 19.469 27.926 -32.239 524 H GLN 76 H GLN 76 17.158 25.143 -27.647 525 HA GLN 76 HA GLN 76 15.807 26.460 -29.896 526 1HB GLN 76 1HB GLN 76 14.646 26.516 -27.126 527 2HB GLN 76 2HB GLN 76 13.869 26.929 -28.648 528 1HG GLN 76 1HG GLN 76 14.123 24.482 -29.267 529 2HG GLN 76 2HG GLN 76 14.534 24.209 -27.575 530 2HE2 GLN 76 1HE2 GLN 76 12.034 24.904 -29.834 531 1HE2 GLN 76 2HE2 GLN 76 10.708 24.800 -28.731 532 H ASP 77 H ASP 77 18.307 26.678 -27.977 533 HA ASP 77 HA ASP 77 17.937 29.505 -27.267 534 1HB ASP 77 1HB ASP 77 19.248 27.279 -25.958 535 2HB ASP 77 2HB ASP 77 20.359 28.628 -26.176 536 H GLY 78 H GLY 78 20.852 27.622 -27.972 537 1HA GLY 78 1HA GLY 78 21.592 28.318 -30.441 538 2HA GLY 78 2HA GLY 78 21.862 29.825 -29.580 539 H HIS 79 H HIS 79 22.498 27.961 -27.171 540 HA HIS 79 HA HIS 79 25.343 27.789 -27.796 541 1HB HIS 79 1HB HIS 79 24.754 27.000 -25.105 542 2HB HIS 79 2HB HIS 79 25.638 28.412 -25.670 543 HD1 HIS 79 HD1 HIS 79 23.827 30.406 -26.544 544 HD2 HIS 79 HD2 HIS 79 22.609 27.700 -23.636 545 HE1 HIS 79 HE1 HIS 79 21.879 31.495 -25.387 546 HE2 HIS 79 HE2 HIS 79 21.224 29.883 -23.565 547 H LEU 80 H LEU 80 26.565 25.901 -26.949 548 HA LEU 80 HA LEU 80 25.590 23.498 -28.053 549 1HB LEU 80 1HB LEU 80 27.925 24.214 -26.306 550 2HB LEU 80 2HB LEU 80 27.573 22.534 -26.665 551 HG LEU 80 HG LEU 80 27.863 22.933 -29.043 552 1HD1 LEU 80 1HD1 LEU 80 27.018 25.311 -28.925 553 2HD1 LEU 80 2HD1 LEU 80 28.636 25.763 -28.387 554 3HD1 LEU 80 3HD1 LEU 80 28.406 25.032 -29.975 555 1HD2 LEU 80 1HD2 LEU 80 29.823 22.530 -27.441 556 2HD2 LEU 80 2HD2 LEU 80 30.189 23.126 -29.060 557 3HD2 LEU 80 3HD2 LEU 80 30.201 24.234 -27.689 558 H TRP 81 H TRP 81 24.251 22.026 -27.229 559 HA TRP 81 HA TRP 81 23.812 22.019 -24.317 560 1HB TRP 81 2HB TRP 81 21.851 22.724 -25.638 561 2HB TRP 81 1HB TRP 81 21.552 21.230 -24.754 562 HD1 TRP 81 HD1 TRP 81 21.630 22.656 -28.233 563 HE1 TRP 81 HE1 TRP 81 20.951 20.837 -29.923 564 HE3 TRP 81 HE3 TRP 81 21.743 18.587 -25.139 565 HZ2 TRP 81 HZ2 TRP 81 20.519 18.048 -29.942 566 HZ3 TRP 81 HZ3 TRP 81 21.182 16.381 -26.072 567 HH2 TRP 81 HH2 TRP 81 20.584 16.118 -28.423 568 H CYS 82 H CYS 82 23.828 20.122 -23.202 569 HA CYS 82 HA CYS 82 24.407 17.668 -24.716 570 1HB CYS 82 1HB CYS 82 26.194 17.086 -23.350 571 2HB CYS 82 2HB CYS 82 26.406 18.825 -23.503 572 H SER 83 H SER 83 24.229 15.703 -23.093 573 HA SER 83 HA SER 83 21.697 16.092 -21.639 574 1HB SER 83 1HB SER 83 21.095 14.498 -23.162 575 2HB SER 83 2HB SER 83 22.740 13.890 -23.338 576 HG SER 83 HG SER 83 20.823 12.807 -21.957 577 H THR 84 H THR 84 21.449 15.304 -19.566 578 HA THR 84 HA THR 84 23.951 14.698 -18.174 579 HB THR 84 HB THR 84 23.015 15.501 -16.223 580 HG1 THR 84 HG1 THR 84 21.198 14.324 -15.938 581 1HG2 THR 84 1HG2 THR 84 22.482 17.004 -18.568 582 2HG2 THR 84 2HG2 THR 84 21.119 17.224 -17.471 583 3HG2 THR 84 3HG2 THR 84 22.756 17.596 -16.929 584 H THR 85 H THR 85 21.325 13.081 -19.469 585 HA THR 85 HA THR 85 21.992 10.689 -17.931 586 HB THR 85 HB THR 85 19.420 12.090 -17.837 587 HG1 THR 85 HG1 THR 85 19.302 10.890 -15.902 588 1HG2 THR 85 1HG2 THR 85 18.861 10.227 -19.423 589 2HG2 THR 85 2HG2 THR 85 19.322 9.091 -18.155 590 3HG2 THR 85 3HG2 THR 85 17.967 10.191 -17.903 591 H SER 86 H SER 86 21.385 8.700 -19.002 592 HA SER 86 HA SER 86 22.073 8.584 -21.666 593 1HB SER 86 1HB SER 86 20.914 6.733 -19.710 594 2HB SER 86 2HB SER 86 20.481 6.357 -21.379 595 HG SER 86 HG SER 86 23.144 6.981 -20.874 596 H ASN 87 H ASN 87 18.765 8.125 -20.412 597 HA ASN 87 HA ASN 87 17.630 8.437 -23.032 598 1HB ASN 87 1HB ASN 87 16.814 7.319 -20.590 599 2HB ASN 87 2HB ASN 87 15.695 8.643 -20.902 600 2HD2 ASN 87 1HD2 ASN 87 15.828 8.501 -23.743 601 1HD2 ASN 87 2HD2 ASN 87 14.993 7.068 -24.227 602 H TYR 88 H TYR 88 18.133 10.531 -23.727 603 HA TYR 88 HA TYR 88 17.411 12.818 -22.126 604 1HB TYR 88 1HB TYR 88 19.298 13.147 -23.524 605 2HB TYR 88 2HB TYR 88 18.467 12.492 -24.931 606 HD1 TYR 88 HD1 TYR 88 17.903 15.233 -22.445 607 HD2 TYR 88 HD2 TYR 88 17.876 14.037 -26.528 608 HE1 TYR 88 HE1 TYR 88 17.231 17.505 -23.099 609 HE2 TYR 88 HE2 TYR 88 17.207 16.309 -27.194 610 HH TYR 88 HH TYR 88 17.563 18.784 -25.912 611 H GLU 89 H GLU 89 16.014 10.920 -24.684 612 HA GLU 89 HA GLU 89 13.902 12.831 -25.200 613 1HB GLU 89 1HB GLU 89 14.598 10.117 -26.282 614 2HB GLU 89 2HB GLU 89 13.038 10.850 -26.627 615 1HG GLU 89 1HG GLU 89 15.551 12.370 -27.152 616 2HG GLU 89 2HG GLU 89 15.002 11.139 -28.289 617 H GLN 90 H GLN 90 14.405 11.168 -22.597 618 HA GLN 90 HA GLN 90 11.573 10.478 -22.228 619 1HB GLN 90 1HB GLN 90 12.406 8.332 -22.292 620 2HB GLN 90 2HB GLN 90 13.983 8.811 -21.684 621 1HG GLN 90 1HG GLN 90 12.956 7.493 -20.010 622 2HG GLN 90 2HG GLN 90 12.922 9.165 -19.450 623 2HE2 GLN 90 1HE2 GLN 90 11.173 9.177 -18.178 624 1HE2 GLN 90 2HE2 GLN 90 9.574 8.770 -18.690 625 H ASP 91 H ASP 91 14.627 11.414 -20.739 626 HA ASP 91 HA ASP 91 13.274 12.156 -18.268 627 1HB ASP 91 1HB ASP 91 16.183 12.150 -19.082 628 2HB ASP 91 2HB ASP 91 15.616 12.761 -17.530 629 H GLN 92 H GLN 92 14.555 13.602 -21.143 630 HA GLN 92 HA GLN 92 14.745 15.761 -21.856 631 1HB GLN 92 1HB GLN 92 12.215 15.395 -21.364 632 2HB GLN 92 2HB GLN 92 12.497 16.465 -19.997 633 1HG GLN 92 1HG GLN 92 11.631 17.646 -21.964 634 2HG GLN 92 2HG GLN 92 13.219 18.229 -21.466 635 2HE2 GLN 92 1HE2 GLN 92 12.297 15.380 -23.349 636 1HE2 GLN 92 2HE2 GLN 92 13.194 15.804 -24.762 637 H LYS 93 H LYS 93 16.636 15.324 -20.060 638 HA LYS 93 HA LYS 93 16.707 17.822 -18.530 639 1HB LYS 93 1HB LYS 93 17.675 16.804 -16.622 640 2HB LYS 93 2HB LYS 93 16.278 15.833 -17.042 641 1HG LYS 93 1HG LYS 93 19.172 15.154 -17.506 642 2HG LYS 93 2HG LYS 93 18.052 14.388 -16.389 643 1HD LYS 93 2HD LYS 93 16.737 14.114 -18.762 644 2HD LYS 93 1HD LYS 93 17.754 12.885 -18.016 645 1HE LYS 93 1HE LYS 93 18.357 14.708 -20.295 646 2HE LYS 93 2HE LYS 93 19.675 14.163 -19.263 647 1HZ LYS 93 1HZ LYS 93 17.773 12.222 -20.401 648 2HZ LYS 93 2HZ LYS 93 19.073 12.788 -21.322 649 3HZ LYS 93 3HZ LYS 93 19.359 11.974 -19.871 650 H TYR 94 H TYR 94 17.843 18.712 -20.264 651 HA TYR 94 HA TYR 94 20.506 17.607 -20.799 652 1HB TYR 94 1HB TYR 94 20.499 18.891 -22.819 653 2HB TYR 94 2HB TYR 94 18.933 18.100 -22.699 654 HD1 TYR 94 HD1 TYR 94 20.594 21.333 -21.831 655 HD2 TYR 94 HD2 TYR 94 17.020 19.364 -23.035 656 HE1 TYR 94 HE1 TYR 94 19.481 23.512 -22.066 657 HE2 TYR 94 HE2 TYR 94 15.898 21.539 -23.276 658 HH TYR 94 HH TYR 94 17.422 24.379 -23.519 659 H SER 95 H SER 95 22.126 19.416 -21.405 660 HA SER 95 HA SER 95 21.966 21.664 -19.533 661 1HB SER 95 1HB SER 95 24.677 20.678 -19.681 662 2HB SER 95 2HB SER 95 23.669 20.947 -18.257 663 HG SER 95 HG SER 95 24.156 18.784 -18.333 664 H PHE 96 H PHE 96 24.587 22.618 -20.058 665 HA PHE 96 HA PHE 96 24.648 22.971 -22.960 666 1HB PHE 96 1HB PHE 96 24.171 25.113 -20.943 667 2HB PHE 96 2HB PHE 96 25.140 25.496 -22.357 668 HD1 PHE 96 HD1 PHE 96 24.139 25.156 -24.640 669 HD2 PHE 96 HD2 PHE 96 21.832 25.006 -21.068 670 HE1 PHE 96 HE1 PHE 96 22.091 25.502 -25.955 671 HE2 PHE 96 HE2 PHE 96 19.779 25.355 -22.378 672 HZ PHE 96 HZ PHE 96 19.905 25.603 -24.824 673 H CYS 97 H CYS 97 26.600 24.539 -23.461 674 HA CYS 97 HA CYS 97 28.850 24.260 -21.691 675 1HB CYS 97 1HB CYS 97 29.544 23.100 -24.292 676 2HB CYS 97 2HB CYS 97 29.994 22.582 -22.672 677 H THR 98 H THR 98 28.785 26.522 -21.887 678 HA THR 98 HA THR 98 28.648 28.229 -23.897 679 HB THR 98 HB THR 98 29.316 29.491 -22.170 680 HG1 THR 98 HG1 THR 98 31.041 30.322 -23.064 681 1HG2 THR 98 1HG2 THR 98 30.985 27.133 -21.317 682 2HG2 THR 98 2HG2 THR 98 30.991 28.672 -20.455 683 3HG2 THR 98 3HG2 THR 98 29.500 27.739 -20.583 684 H ASP 99 H ASP 99 31.696 26.540 -23.183 685 HA ASP 99 HA ASP 99 33.290 25.712 -24.613 686 1HB ASP 99 1HB ASP 99 31.300 25.513 -26.251 687 2HB ASP 99 2HB ASP 99 31.909 27.010 -26.949 688 H HIS 100 H HIS 100 32.202 28.804 -26.031 689 HA HIS 100 HA HIS 100 33.299 30.754 -26.448 690 1HB HIS 100 1HB HIS 100 34.280 29.841 -23.848 691 2HB HIS 100 2HB HIS 100 35.415 30.897 -24.681 692 HD1 HIS 100 HD1 HIS 100 31.641 31.213 -24.723 693 HD2 HIS 100 HD2 HIS 100 34.995 33.215 -23.305 694 HE1 HIS 100 HE1 HIS 100 30.788 33.404 -23.830 695 HE2 HIS 100 HE2 HIS 100 32.847 34.635 -23.059 696 H THR 101 H THR 101 35.477 31.706 -27.047 697 HA THR 101 HA THR 101 37.082 29.634 -28.395 698 HB THR 101 HB THR 101 37.712 31.360 -30.031 699 HG1 THR 101 HG1 THR 101 36.860 33.031 -28.219 700 1HG2 THR 101 1HG2 THR 101 34.953 30.443 -29.607 701 2HG2 THR 101 2HG2 THR 101 35.112 31.827 -30.689 702 3HG2 THR 101 3HG2 THR 101 35.980 30.331 -31.036 No H/Q in entry = 702 Start of MODEL 39 1 H1 TYR 1 H1 TYR 1 41.152 7.291 -46.363 2 H2 TYR 1 H2 TYR 1 41.685 7.768 -47.896 3 H3 TYR 1 H3 TYR 1 41.088 6.203 -47.658 4 HA TYR 1 HA TYR 1 42.950 5.470 -46.585 5 1HB TYR 1 1HB TYR 1 44.133 7.634 -48.323 6 2HB TYR 1 2HB TYR 1 44.777 6.027 -48.005 7 HD1 TYR 1 HD1 TYR 1 43.630 4.031 -48.999 8 HD2 TYR 1 HD2 TYR 1 42.597 8.013 -50.087 9 HE1 TYR 1 HE1 TYR 1 42.525 3.185 -51.027 10 HE2 TYR 1 HE2 TYR 1 41.488 7.177 -52.116 11 HH TYR 1 HH TYR 1 41.867 4.847 -53.595 12 H GLY 2 H GLY 2 44.941 5.876 -45.382 13 1HA GLY 2 1HA GLY 2 46.356 7.307 -44.105 14 2HA GLY 2 2HA GLY 2 45.085 8.521 -44.117 15 H HIS 3 H HIS 3 45.547 5.157 -43.024 16 HA HIS 3 HA HIS 3 43.592 5.090 -41.083 17 1HB HIS 3 1HB HIS 3 46.160 3.652 -41.504 18 2HB HIS 3 2HB HIS 3 45.406 3.506 -39.920 19 HD1 HIS 3 HD1 HIS 3 44.286 3.157 -43.548 20 HD2 HIS 3 HD2 HIS 3 43.696 1.423 -39.818 21 HE1 HIS 3 HE1 HIS 3 42.727 1.225 -43.944 22 HE2 HIS 3 HE2 HIS 3 42.310 0.249 -41.660 23 H CYS 4 H CYS 4 43.680 5.275 -38.775 24 HA CYS 4 HA CYS 4 45.568 7.353 -37.887 25 1HB CYS 4 1HB CYS 4 43.617 7.507 -36.034 26 2HB CYS 4 2HB CYS 4 43.598 8.420 -37.534 27 H VAL 5 H VAL 5 46.336 7.258 -35.700 28 HA VAL 5 HA VAL 5 46.023 4.750 -34.258 29 HB VAL 5 HB VAL 5 48.849 5.569 -34.635 30 1HG1 VAL 5 1HG1 VAL 5 47.705 3.583 -33.283 31 2HG1 VAL 5 2HG1 VAL 5 47.888 2.772 -34.839 32 3HG1 VAL 5 3HG1 VAL 5 49.303 3.429 -34.016 33 1HG2 VAL 5 1HG2 VAL 5 47.767 5.621 -36.926 34 2HG2 VAL 5 2HG2 VAL 5 49.136 4.524 -36.734 35 3HG2 VAL 5 3HG2 VAL 5 47.490 3.890 -36.728 36 H THR 6 H THR 6 46.837 4.847 -32.084 37 HA THR 6 HA THR 6 47.291 7.603 -31.136 38 HB THR 6 HB THR 6 45.215 7.147 -30.231 39 HG1 THR 6 HG1 THR 6 46.579 5.873 -28.143 40 1HG2 THR 6 1HG2 THR 6 46.136 4.295 -29.890 41 2HG2 THR 6 2HG2 THR 6 44.614 4.915 -29.252 42 3HG2 THR 6 3HG2 THR 6 44.898 4.902 -30.991 43 H ASP 7 H ASP 7 48.934 4.941 -31.720 44 HA ASP 7 HA ASP 7 50.994 4.233 -31.027 45 1HB ASP 7 1HB ASP 7 50.769 6.142 -28.699 46 2HB ASP 7 2HB ASP 7 52.235 5.448 -29.385 47 H SER 8 H SER 8 48.157 3.730 -29.605 48 HA SER 8 HA SER 8 49.144 2.263 -27.282 49 1HB SER 8 1HB SER 8 46.613 3.473 -28.052 50 2HB SER 8 2HB SER 8 46.400 1.820 -27.475 51 HG SER 8 HG SER 8 46.725 3.955 -26.015 52 H GLY 9 H GLY 9 48.365 1.733 -30.539 53 1HA GLY 9 1HA GLY 9 49.045 -0.424 -31.461 54 2HA GLY 9 2HA GLY 9 48.317 -1.179 -30.050 55 H VAL 10 H VAL 10 46.225 1.182 -30.721 56 HA VAL 10 HA VAL 10 44.497 -0.621 -32.236 57 HB VAL 10 HB VAL 10 43.764 2.000 -30.930 58 1HG1 VAL 10 1HG1 VAL 10 42.380 0.395 -32.746 59 2HG1 VAL 10 2HG1 VAL 10 41.666 0.042 -31.172 60 3HG1 VAL 10 3HG1 VAL 10 41.724 1.703 -31.761 61 1HG2 VAL 10 1HG2 VAL 10 44.116 -0.710 -29.823 62 2HG2 VAL 10 2HG2 VAL 10 44.212 0.862 -29.031 63 3HG2 VAL 10 3HG2 VAL 10 42.640 0.131 -29.351 64 H VAL 11 H VAL 11 45.655 -0.269 -34.243 65 HA VAL 11 HA VAL 11 45.931 2.230 -35.488 66 HB VAL 11 HB VAL 11 45.624 -0.494 -36.759 67 1HG1 VAL 11 1HG1 VAL 11 45.167 1.455 -38.269 68 2HG1 VAL 11 2HG1 VAL 11 46.823 1.987 -37.974 69 3HG1 VAL 11 3HG1 VAL 11 46.522 0.437 -38.759 70 1HG2 VAL 11 1HG2 VAL 11 47.682 0.557 -35.173 71 2HG2 VAL 11 2HG2 VAL 11 47.722 -0.907 -36.156 72 3HG2 VAL 11 3HG2 VAL 11 48.267 0.626 -36.836 73 H TYR 12 H TYR 12 44.007 3.386 -35.222 74 HA TYR 12 HA TYR 12 41.462 2.462 -36.034 75 1HB TYR 12 1HB TYR 12 42.576 5.236 -35.617 76 2HB TYR 12 2HB TYR 12 40.886 4.932 -36.003 77 HD1 TYR 12 HD1 TYR 12 39.598 3.373 -34.402 78 HD2 TYR 12 HD2 TYR 12 43.294 5.235 -33.424 79 HE1 TYR 12 HE1 TYR 12 39.122 3.038 -32.011 80 HE2 TYR 12 HE2 TYR 12 42.832 4.905 -31.026 81 HH TYR 12 HH TYR 12 41.391 3.250 -29.638 82 H SER 13 H SER 13 40.366 4.321 -37.675 83 HA SER 13 HA SER 13 41.958 4.308 -40.136 84 1HB SER 13 1HB SER 13 39.368 2.931 -39.661 85 2HB SER 13 2HB SER 13 39.549 3.778 -41.198 86 HG SER 13 HG SER 13 41.100 2.420 -41.790 87 H VAL 14 H VAL 14 41.270 5.854 -41.722 88 HA VAL 14 HA VAL 14 40.782 8.381 -40.809 89 HB VAL 14 HB VAL 14 41.547 8.180 -43.026 90 1HG1 VAL 14 1HG1 VAL 14 39.999 5.941 -43.177 91 2HG1 VAL 14 2HG1 VAL 14 39.151 7.044 -44.261 92 3HG1 VAL 14 3HG1 VAL 14 40.855 6.677 -44.534 93 1HG2 VAL 14 1HG2 VAL 14 39.972 10.059 -42.609 94 2HG2 VAL 14 2HG2 VAL 14 40.049 9.559 -44.298 95 3HG2 VAL 14 3HG2 VAL 14 38.680 9.074 -43.297 96 H GLY 15 H GLY 15 39.148 8.352 -39.230 97 1HA GLY 15 1HA GLY 15 36.929 9.371 -39.077 98 2HA GLY 15 2HA GLY 15 36.417 8.275 -40.346 99 H MET 16 H MET 16 38.479 6.737 -38.167 100 HA MET 16 HA MET 16 36.188 5.391 -36.935 101 1HB MET 16 1HB MET 16 38.546 4.422 -38.046 102 2HB MET 16 2HB MET 16 38.807 4.281 -36.312 103 1HG MET 16 1HG MET 16 36.178 3.356 -37.081 104 2HG MET 16 2HG MET 16 37.457 2.502 -37.942 105 1HE MET 16 1HE MET 16 39.510 1.828 -36.902 106 2HE MET 16 2HE MET 16 39.799 1.474 -35.199 107 3HE MET 16 3HE MET 16 38.981 0.290 -36.219 108 H GLN 17 H GLN 17 36.419 7.808 -35.882 109 HA GLN 17 HA GLN 17 38.136 8.467 -33.906 110 1HB GLN 17 1HB GLN 17 35.989 9.315 -32.664 111 2HB GLN 17 2HB GLN 17 36.469 10.029 -34.195 112 1HG GLN 17 2HG GLN 17 34.838 7.884 -34.883 113 2HG GLN 17 1HG GLN 17 34.439 9.600 -34.949 114 2HE2 GLN 17 1HE2 GLN 17 33.104 10.478 -33.427 115 1HE2 GLN 17 2HE2 GLN 17 32.246 9.538 -32.259 116 H TRP 18 H TRP 18 37.720 8.412 -31.481 117 HA TRP 18 HA TRP 18 36.471 6.060 -30.414 118 1HB TRP 18 1HB TRP 18 38.498 5.021 -29.531 119 2HB TRP 18 2HB TRP 18 38.570 5.103 -31.289 120 HD1 TRP 18 HD1 TRP 18 40.288 6.387 -28.161 121 HE1 TRP 18 HE1 TRP 18 42.444 7.624 -28.831 122 HE3 TRP 18 HE3 TRP 18 39.603 6.538 -33.229 123 HZ2 TRP 18 HZ2 TRP 18 43.684 8.549 -31.189 124 HZ3 TRP 18 HZ3 TRP 18 41.323 7.616 -34.618 125 HH2 TRP 18 HH2 TRP 18 43.321 8.598 -33.619 126 H LEU 19 H LEU 19 37.827 5.880 -28.005 127 HA LEU 19 HA LEU 19 37.903 8.582 -26.904 128 1HB LEU 19 1HB LEU 19 35.601 7.954 -26.610 129 2HB LEU 19 2HB LEU 19 36.061 6.403 -25.936 130 HG LEU 19 HG LEU 19 37.280 8.008 -24.165 131 1HD1 LEU 19 1HD1 LEU 19 35.879 9.847 -25.667 132 2HD1 LEU 19 2HD1 LEU 19 34.842 9.582 -24.265 133 3HD1 LEU 19 3HD1 LEU 19 36.514 10.095 -24.039 134 1HD2 LEU 19 1HD2 LEU 19 34.412 7.095 -24.201 135 2HD2 LEU 19 2HD2 LEU 19 35.804 6.270 -23.499 136 3HD2 LEU 19 3HD2 LEU 19 35.203 7.761 -22.773 137 H LYS 20 H LYS 20 39.567 8.808 -25.579 138 HA LYS 20 HA LYS 20 40.729 6.380 -24.376 139 1HB LYS 20 2HB LYS 20 42.197 7.429 -26.037 140 2HB LYS 20 1HB LYS 20 42.892 7.513 -24.423 141 1HG LYS 20 1HG LYS 20 41.717 9.704 -26.084 142 2HG LYS 20 2HG LYS 20 41.841 9.861 -24.330 143 1HD LYS 20 1HD LYS 20 44.091 9.395 -26.282 144 2HD LYS 20 2HD LYS 20 43.787 10.853 -25.337 145 1HE LYS 20 1HE LYS 20 43.896 8.893 -23.416 146 2HE LYS 20 2HE LYS 20 45.111 8.363 -24.580 147 1HZ LYS 20 1HZ LYS 20 45.748 10.915 -24.409 148 2HZ LYS 20 2HZ LYS 20 45.084 10.720 -22.866 149 3HZ LYS 20 3HZ LYS 20 46.383 9.753 -23.356 150 H THR 21 H THR 21 42.047 6.879 -22.361 151 HA THR 21 HA THR 21 40.614 8.854 -20.701 152 HB THR 21 HB THR 21 41.734 6.816 -19.052 153 HG1 THR 21 HG1 THR 21 40.839 4.985 -19.883 154 1HG2 THR 21 1HG2 THR 21 39.202 8.173 -19.522 155 2HG2 THR 21 2HG2 THR 21 38.988 6.493 -19.030 156 3HG2 THR 21 3HG2 THR 21 39.911 7.598 -18.012 157 H GLN 22 H GLN 22 41.849 9.562 -18.769 158 HA GLN 22 HA GLN 22 44.756 9.522 -19.196 159 1HB GLN 22 1HB GLN 22 43.596 12.046 -18.176 160 2HB GLN 22 2HB GLN 22 44.967 11.788 -19.248 161 1HG GLN 22 1HG GLN 22 42.978 11.011 -20.868 162 2HG GLN 22 2HG GLN 22 42.114 12.180 -19.872 163 2HE2 GLN 22 1HE2 GLN 22 44.091 14.020 -19.387 164 1HE2 GLN 22 2HE2 GLN 22 44.542 14.789 -20.867 165 H GLY 23 H GLY 23 43.505 7.872 -17.400 166 1HA GLY 23 1HA GLY 23 44.304 7.298 -15.224 167 2HA GLY 23 2HA GLY 23 44.446 9.010 -14.859 168 H ASN 24 H ASN 24 42.525 10.215 -14.414 169 HA ASN 24 HA ASN 24 40.284 8.514 -13.535 170 1HB ASN 24 1HB ASN 24 41.883 10.393 -12.074 171 2HB ASN 24 2HB ASN 24 40.221 10.971 -12.130 172 2HD2 ASN 24 1HD2 ASN 24 38.552 9.562 -11.359 173 1HD2 ASN 24 2HD2 ASN 24 38.910 8.383 -10.148 174 H LYS 25 H LYS 25 41.034 10.443 -15.954 175 HA LYS 25 HA LYS 25 38.451 11.860 -15.966 176 1HB LYS 25 2HB LYS 25 39.410 13.474 -17.463 177 2HB LYS 25 1HB LYS 25 40.864 12.505 -17.662 178 1HG LYS 25 1HG LYS 25 40.355 14.557 -15.787 179 2HG LYS 25 2HG LYS 25 40.525 13.044 -14.893 180 1HD LYS 25 2HD LYS 25 42.532 13.107 -16.900 181 2HD LYS 25 1HD LYS 25 42.730 13.141 -15.147 182 1HE LYS 25 1HE LYS 25 41.953 15.671 -16.484 183 2HE LYS 25 2HE LYS 25 42.984 15.403 -15.078 184 1HZ LYS 25 1HZ LYS 25 44.537 14.334 -16.864 185 2HZ LYS 25 2HZ LYS 25 43.670 15.322 -17.928 186 3HZ LYS 25 3HZ LYS 25 44.517 16.011 -16.637 187 H GLN 26 H GLN 26 38.170 12.423 -18.603 188 HA GLN 26 HA GLN 26 38.400 9.918 -20.081 189 1HB GLN 26 1HB GLN 26 35.982 10.762 -18.840 190 2HB GLN 26 2HB GLN 26 35.782 10.938 -20.578 191 1HG GLN 26 1HG GLN 26 36.653 8.563 -20.768 192 2HG GLN 26 2HG GLN 26 36.425 8.456 -19.023 193 2HE2 GLN 26 1HE2 GLN 26 34.537 7.752 -18.350 194 1HE2 GLN 26 2HE2 GLN 26 33.068 7.746 -19.260 195 H MET 27 H MET 27 39.261 10.407 -21.970 196 HA MET 27 HA MET 27 38.582 12.997 -23.203 197 1HB MET 27 1HB MET 27 40.953 12.780 -22.472 198 2HB MET 27 2HB MET 27 41.130 11.407 -23.556 199 1HG MET 27 1HG MET 27 40.055 13.665 -24.968 200 2HG MET 27 2HG MET 27 41.545 14.104 -24.134 201 1HE MET 27 1HE MET 27 43.470 13.990 -24.825 202 2HE MET 27 2HE MET 27 44.297 12.680 -25.669 203 3HE MET 27 3HE MET 27 43.586 14.010 -26.585 204 H LEU 28 H LEU 28 38.301 13.057 -25.473 205 HA LEU 28 HA LEU 28 37.762 10.421 -26.675 206 1HB LEU 28 1HB LEU 28 35.709 11.661 -26.291 207 2HB LEU 28 2HB LEU 28 36.356 13.045 -27.153 208 HG LEU 28 HG LEU 28 36.556 10.977 -28.990 209 1HD1 LEU 28 1HD1 LEU 28 35.151 9.590 -27.515 210 2HD1 LEU 28 2HD1 LEU 28 33.883 10.812 -27.610 211 3HD1 LEU 28 3HD1 LEU 28 34.378 9.940 -29.061 212 1HD2 LEU 28 1HD2 LEU 28 35.624 13.497 -28.943 213 2HD2 LEU 28 2HD2 LEU 28 35.347 12.381 -30.280 214 3HD2 LEU 28 3HD2 LEU 28 34.102 12.612 -29.051 215 H CYS 29 H CYS 29 38.963 9.907 -28.381 216 HA CYS 29 HA CYS 29 40.352 12.073 -29.808 217 1HB CYS 29 1HB CYS 29 41.159 9.361 -28.963 218 2HB CYS 29 2HB CYS 29 41.691 9.848 -30.566 219 H THR 30 H THR 30 40.258 12.225 -32.000 220 HA THR 30 HA THR 30 38.792 10.164 -33.491 221 HB THR 30 HB THR 30 38.144 13.116 -33.571 222 HG1 THR 30 HG1 THR 30 36.504 12.528 -32.373 223 1HG2 THR 30 1HG2 THR 30 37.565 10.900 -35.490 224 2HG2 THR 30 2HG2 THR 30 36.349 12.152 -35.236 225 3HG2 THR 30 3HG2 THR 30 37.959 12.590 -35.808 226 H CYS 31 H CYS 31 39.266 10.084 -35.720 227 HA CYS 31 HA CYS 31 41.620 11.674 -36.491 228 1HB CYS 31 1HB CYS 31 42.212 9.736 -37.987 229 2HB CYS 31 2HB CYS 31 42.363 9.431 -36.264 230 H LEU 32 H LEU 32 40.954 13.185 -37.783 231 HA LEU 32 HA LEU 32 38.679 12.903 -39.517 232 1HB LEU 32 1HB LEU 32 39.786 15.227 -40.319 233 2HB LEU 32 2HB LEU 32 38.729 15.083 -38.926 234 HG LEU 32 HG LEU 32 41.645 14.710 -38.495 235 1HD1 LEU 32 1HD1 LEU 32 41.079 16.818 -39.969 236 2HD1 LEU 32 2HD1 LEU 32 40.625 17.487 -38.400 237 3HD1 LEU 32 3HD1 LEU 32 42.263 16.881 -38.660 238 1HD2 LEU 32 1HD2 LEU 32 40.059 14.397 -36.665 239 2HD2 LEU 32 2HD2 LEU 32 41.115 15.778 -36.364 240 3HD2 LEU 32 3HD2 LEU 32 39.456 16.037 -36.904 241 H GLY 33 H GLY 33 41.633 14.443 -40.616 242 1HA GLY 33 1HA GLY 33 42.218 12.320 -42.504 243 2HA GLY 33 2HA GLY 33 41.592 13.796 -43.221 244 H ASN 34 H ASN 34 42.870 15.595 -41.384 245 HA ASN 34 HA ASN 34 45.586 15.430 -42.463 246 1HB ASN 34 2HB ASN 34 44.025 17.484 -42.725 247 2HB ASN 34 1HB ASN 34 45.712 17.754 -42.299 248 2HD2 ASN 34 1HD2 ASN 34 46.169 18.851 -40.509 249 1HD2 ASN 34 2HD2 ASN 34 45.016 19.338 -39.318 250 H GLY 35 H GLY 35 43.888 14.920 -39.579 251 1HA GLY 35 1HA GLY 35 46.054 14.049 -38.111 252 2HA GLY 35 2HA GLY 35 45.880 15.745 -37.709 253 H VAL 36 H VAL 36 45.546 13.335 -36.098 254 HA VAL 36 HA VAL 36 42.777 12.967 -35.551 255 HB VAL 36 HB VAL 36 45.318 12.029 -34.325 256 1HG1 VAL 36 1HG1 VAL 36 42.731 12.205 -32.808 257 2HG1 VAL 36 2HG1 VAL 36 43.946 10.979 -32.451 258 3HG1 VAL 36 3HG1 VAL 36 44.345 12.690 -32.289 259 1HG2 VAL 36 1HG2 VAL 36 43.940 10.852 -36.092 260 2HG2 VAL 36 2HG2 VAL 36 44.416 9.900 -34.685 261 3HG2 VAL 36 3HG2 VAL 36 42.772 10.528 -34.811 262 H SER 37 H SER 37 41.447 14.070 -34.276 263 HA SER 37 HA SER 37 42.593 16.157 -32.536 264 1HB SER 37 1HB SER 37 41.454 17.433 -34.090 265 2HB SER 37 2HB SER 37 40.246 16.183 -34.389 266 HG SER 37 HG SER 37 40.360 18.113 -32.373 267 H CYS 38 H CYS 38 42.099 16.052 -30.426 268 HA CYS 38 HA CYS 38 39.803 14.400 -29.619 269 1HB CYS 38 1HB CYS 38 42.269 14.439 -27.936 270 2HB CYS 38 2HB CYS 38 41.020 13.208 -28.053 271 H GLN 39 H GLN 39 39.334 14.726 -27.213 272 HA GLN 39 HA GLN 39 39.932 17.383 -26.209 273 1HB GLN 39 1HB GLN 39 37.118 17.097 -25.917 274 2HB GLN 39 2HB GLN 39 38.002 18.344 -26.786 275 1HG GLN 39 1HG GLN 39 37.935 17.072 -28.810 276 2HG GLN 39 2HG GLN 39 37.245 15.686 -27.969 277 2HE2 GLN 39 1HE2 GLN 39 36.259 18.920 -27.215 278 1HE2 GLN 39 2HE2 GLN 39 34.685 18.827 -27.920 279 H GLU 40 H GLU 40 40.712 16.763 -24.286 280 HA GLU 40 HA GLU 40 39.888 14.491 -22.850 281 1HB GLU 40 2HB GLU 40 42.044 15.958 -22.657 282 2HB GLU 40 1HB GLU 40 41.426 15.109 -21.248 283 1HG GLU 40 1HG GLU 40 40.371 17.822 -21.623 284 2HG GLU 40 2HG GLU 40 40.921 17.004 -20.161 285 H THR 41 H THR 41 38.843 14.393 -20.775 286 HA THR 41 HA THR 41 37.390 15.117 -19.109 287 HB THR 41 HB THR 41 36.584 17.426 -20.877 288 HG1 THR 41 HG1 THR 41 38.310 18.467 -20.202 289 1HG2 THR 41 1HG2 THR 41 35.193 16.584 -18.851 290 2HG2 THR 41 2HG2 THR 41 36.470 17.325 -17.886 291 3HG2 THR 41 3HG2 THR 41 35.528 18.309 -19.007 292 H ALA 42 H ALA 42 36.232 15.690 -22.433 293 HA ALA 42 HA ALA 42 34.544 14.674 -23.601 294 1HB ALA 42 3HB ALA 42 33.554 12.648 -22.831 295 2HB ALA 42 1HB ALA 42 35.259 12.606 -22.380 296 3HB ALA 42 2HB ALA 42 34.034 12.976 -21.167 297 H VAL 43 H VAL 43 34.271 16.552 -20.945 298 HA VAL 43 HA VAL 43 31.431 17.033 -21.449 299 HB VAL 43 HB VAL 43 30.787 17.056 -19.180 300 1HG1 VAL 43 1HG1 VAL 43 31.372 14.781 -20.364 301 2HG1 VAL 43 2HG1 VAL 43 32.568 14.676 -19.074 302 3HG1 VAL 43 3HG1 VAL 43 30.857 14.826 -18.678 303 1HG2 VAL 43 1HG2 VAL 43 33.578 17.553 -18.711 304 2HG2 VAL 43 2HG2 VAL 43 32.202 17.808 -17.637 305 3HG2 VAL 43 3HG2 VAL 43 33.010 16.241 -17.678 306 H THR 44 H THR 44 30.822 19.049 -19.896 307 HA THR 44 HA THR 44 32.706 20.984 -19.265 308 HB THR 44 HB THR 44 33.310 21.010 -21.633 309 HG1 THR 44 HG1 THR 44 33.568 23.025 -20.931 310 1HG2 THR 44 1HG2 THR 44 30.366 21.270 -21.966 311 2HG2 THR 44 2HG2 THR 44 31.405 22.120 -23.110 312 3HG2 THR 44 3HG2 THR 44 31.537 20.370 -22.930 313 H GLN 45 H GLN 45 31.407 23.325 -20.118 314 HA GLN 45 HA GLN 45 28.905 23.095 -18.600 315 1HB GLN 45 1HB GLN 45 30.323 25.655 -19.316 316 2HB GLN 45 2HB GLN 45 29.120 25.397 -18.060 317 1HG GLN 45 1HG GLN 45 30.649 24.226 -16.699 318 2HG GLN 45 2HG GLN 45 31.817 24.078 -18.013 319 2HE2 GLN 45 1HE2 GLN 45 29.992 26.958 -17.195 320 1HE2 GLN 45 2HE2 GLN 45 31.349 27.910 -16.705 321 H THR 46 H THR 46 26.970 23.888 -19.380 322 HA THR 46 HA THR 46 26.934 24.493 -22.265 323 HB THR 46 HB THR 46 24.413 23.793 -21.924 324 HG1 THR 46 HG1 THR 46 24.212 22.202 -20.310 325 1HG2 THR 46 1HG2 THR 46 26.852 22.174 -22.396 326 2HG2 THR 46 2HG2 THR 46 25.349 21.294 -22.124 327 3HG2 THR 46 3HG2 THR 46 25.463 22.459 -23.444 328 H TYR 47 H TYR 47 25.708 26.203 -23.023 329 HA TYR 47 HA TYR 47 24.049 27.751 -21.243 330 1HB TYR 47 1HB TYR 47 25.315 29.788 -21.299 331 2HB TYR 47 2HB TYR 47 26.384 28.513 -20.719 332 HD1 TYR 47 HD1 TYR 47 25.628 30.765 -23.519 333 HD2 TYR 47 HD2 TYR 47 28.263 27.769 -22.043 334 HE1 TYR 47 HE1 TYR 47 27.245 31.327 -25.285 335 HE2 TYR 47 HE2 TYR 47 29.888 28.323 -23.804 336 HH TYR 47 HH TYR 47 30.456 29.938 -25.346 337 H GLY 48 H GLY 48 23.766 30.064 -22.558 338 1HA GLY 48 1HA GLY 48 22.397 30.838 -24.260 339 2HA GLY 48 2HA GLY 48 23.800 30.385 -25.215 340 H GLY 49 H GLY 49 22.572 29.865 -27.023 341 1HA GLY 49 1HA GLY 49 21.360 28.497 -28.409 342 2HA GLY 49 2HA GLY 49 21.791 27.202 -27.300 343 H ASN 50 H ASN 50 19.417 26.982 -28.507 344 HA ASN 50 HA ASN 50 17.219 28.233 -27.318 345 1HB ASN 50 1HB ASN 50 15.901 26.347 -28.173 346 2HB ASN 50 2HB ASN 50 17.057 26.903 -29.379 347 2HD2 ASN 50 1HD2 ASN 50 16.692 24.527 -26.781 348 1HD2 ASN 50 2HD2 ASN 50 17.591 23.276 -27.564 349 H SER 51 H SER 51 19.363 25.854 -26.103 350 HA SER 51 HA SER 51 17.533 24.858 -24.093 351 1HB SER 51 1HB SER 51 20.204 24.155 -25.080 352 2HB SER 51 2HB SER 51 20.033 23.998 -23.332 353 HG SER 51 HG SER 51 17.926 22.888 -24.061 354 H ASN 52 H ASN 52 19.969 27.312 -24.382 355 HA ASN 52 HA ASN 52 20.584 29.006 -23.000 356 1HB ASN 52 1HB ASN 52 18.280 29.334 -22.414 357 2HB ASN 52 2HB ASN 52 18.303 27.949 -21.330 358 2HD2 ASN 52 1HD2 ASN 52 18.927 28.215 -19.270 359 1HD2 ASN 52 2HD2 ASN 52 19.470 29.711 -18.597 360 H GLY 53 H GLY 53 21.127 25.873 -22.481 361 1HA GLY 53 1HA GLY 53 23.389 25.670 -21.308 362 2HA GLY 53 2HA GLY 53 22.518 26.289 -19.915 363 H GLU 54 H GLU 54 20.253 24.514 -21.353 364 HA GLU 54 HA GLU 54 20.000 22.547 -19.516 365 1HB GLU 54 1HB GLU 54 19.377 22.470 -22.462 366 2HB GLU 54 2HB GLU 54 18.934 21.159 -21.379 367 1HG GLU 54 1HG GLU 54 17.649 22.780 -20.020 368 2HG GLU 54 2HG GLU 54 18.014 24.019 -21.220 369 HA PRO 55 HA PRO 55 23.217 19.577 -19.930 370 1HB PRO 55 1HB PRO 55 21.921 17.233 -19.506 371 2HB PRO 55 2HB PRO 55 22.222 18.406 -18.219 372 1HG PRO 55 2HG PRO 55 19.908 18.228 -18.073 373 2HG PRO 55 1HG PRO 55 19.731 17.942 -19.815 374 1HD PRO 55 1HD PRO 55 19.164 20.176 -19.806 375 2HD PRO 55 2HD PRO 55 20.110 20.508 -18.340 376 H CYS 56 H CYS 56 24.090 17.872 -21.229 377 HA CYS 56 HA CYS 56 23.011 17.868 -23.918 378 1HB CYS 56 1HB CYS 56 25.517 16.556 -22.852 379 2HB CYS 56 2HB CYS 56 25.094 16.774 -24.548 380 H VAL 57 H VAL 57 23.775 15.433 -24.910 381 HA VAL 57 HA VAL 57 22.622 13.320 -23.309 382 HB VAL 57 HB VAL 57 20.674 14.569 -24.357 383 1HG1 VAL 57 1HG1 VAL 57 22.237 14.221 -26.678 384 2HG1 VAL 57 2HG1 VAL 57 20.784 13.240 -26.880 385 3HG1 VAL 57 3HG1 VAL 57 20.645 14.964 -26.539 386 1HG2 VAL 57 1HG2 VAL 57 21.076 11.892 -23.850 387 2HG2 VAL 57 2HG2 VAL 57 19.522 12.666 -24.158 388 3HG2 VAL 57 3HG2 VAL 57 20.401 11.898 -25.480 389 H LEU 58 H LEU 58 25.134 13.297 -24.123 390 HA LEU 58 HA LEU 58 25.265 11.814 -26.643 391 1HB LEU 58 1HB LEU 58 27.844 11.953 -25.883 392 2HB LEU 58 2HB LEU 58 27.043 13.173 -26.852 393 HG LEU 58 HG LEU 58 28.423 14.099 -25.011 394 1HD1 LEU 58 1HD1 LEU 58 25.788 14.792 -25.766 395 2HD1 LEU 58 2HD1 LEU 58 25.959 15.107 -24.039 396 3HD1 LEU 58 3HD1 LEU 58 27.080 15.842 -25.185 397 1HD2 LEU 58 1HD2 LEU 58 26.684 12.322 -23.431 398 2HD2 LEU 58 2HD2 LEU 58 28.336 12.860 -23.130 399 3HD2 LEU 58 3HD2 LEU 58 26.980 13.922 -22.749 400 HA PRO 59 HA PRO 59 27.437 10.628 -27.356 401 1HB PRO 59 1HB PRO 59 27.171 8.218 -28.584 402 2HB PRO 59 2HB PRO 59 28.510 8.609 -27.505 403 1HG PRO 59 1HG PRO 59 26.009 7.077 -26.934 404 2HG PRO 59 2HG PRO 59 27.674 6.725 -26.437 405 1HD PRO 59 1HD PRO 59 25.884 7.861 -24.771 406 2HD PRO 59 2HD PRO 59 27.613 8.245 -24.703 407 H PHE 60 H PHE 60 26.280 11.696 -28.814 408 HA PHE 60 HA PHE 60 23.610 10.670 -29.523 409 1HB PHE 60 1HB PHE 60 23.222 13.066 -30.320 410 2HB PHE 60 2HB PHE 60 23.315 12.820 -28.580 411 HD1 PHE 60 HD1 PHE 60 25.362 13.824 -31.513 412 HD2 PHE 60 HD2 PHE 60 24.789 14.072 -27.304 413 HE1 PHE 60 HE1 PHE 60 27.130 15.530 -31.376 414 HE2 PHE 60 HE2 PHE 60 26.556 15.778 -27.160 415 HZ PHE 60 HZ PHE 60 27.729 16.505 -29.197 416 H THR 61 H THR 61 23.009 11.632 -31.856 417 HA THR 61 HA THR 61 25.315 11.091 -33.610 418 HB THR 61 HB THR 61 22.768 10.390 -34.824 419 HG1 THR 61 HG1 THR 61 23.606 8.872 -32.558 420 1HG2 THR 61 1HG2 THR 61 25.343 8.902 -34.308 421 2HG2 THR 61 2HG2 THR 61 24.014 8.285 -35.289 422 3HG2 THR 61 3HG2 THR 61 24.878 9.738 -35.790 423 H TYR 62 H TYR 62 25.693 12.555 -35.135 424 HA TYR 62 HA TYR 62 23.535 14.233 -36.129 425 1HB TYR 62 1HB TYR 62 24.324 15.561 -34.280 426 2HB TYR 62 2HB TYR 62 26.000 15.340 -34.775 427 HD1 TYR 62 HD1 TYR 62 22.774 16.807 -35.918 428 HD2 TYR 62 HD2 TYR 62 27.018 16.899 -36.177 429 HE1 TYR 62 HE1 TYR 62 22.641 18.863 -37.263 430 HE2 TYR 62 HE2 TYR 62 26.898 18.955 -37.521 431 HH TYR 62 HH TYR 62 25.073 20.023 -39.092 432 H ASN 63 H ASN 63 23.708 14.469 -38.257 433 HA ASN 63 HA ASN 63 24.584 14.620 -40.357 434 1HB ASN 63 1HB ASN 63 26.738 15.507 -38.670 435 2HB ASN 63 2HB ASN 63 27.384 14.563 -40.009 436 2HD2 ASN 63 1HD2 ASN 63 27.627 17.403 -39.479 437 1HD2 ASN 63 2HD2 ASN 63 26.966 18.212 -40.856 438 H GLY 64 H GLY 64 24.927 12.120 -38.294 439 1HA GLY 64 1HA GLY 64 24.791 9.895 -39.283 440 2HA GLY 64 2HA GLY 64 26.032 10.397 -40.420 441 H ARG 65 H ARG 65 27.121 11.755 -37.726 442 HA ARG 65 HA ARG 65 28.694 9.375 -37.012 443 1HB ARG 65 1HB ARG 65 30.446 10.879 -36.286 444 2HB ARG 65 2HB ARG 65 29.971 11.275 -37.931 445 1HG ARG 65 1HG ARG 65 28.354 12.909 -36.444 446 2HG ARG 65 2HG ARG 65 29.847 12.879 -35.508 447 1HD ARG 65 1HD ARG 65 29.606 14.667 -37.328 448 2HD ARG 65 2HD ARG 65 31.112 13.751 -37.259 449 HE ARG 65 HE ARG 65 29.153 12.607 -39.011 450 1HH1 ARG 65 1HH1 ARG 65 31.733 14.930 -38.738 451 2HH1 ARG 65 2HH1 ARG 65 32.078 14.938 -40.434 452 1HH2 ARG 65 1HH2 ARG 65 29.602 12.608 -41.247 453 2HH2 ARG 65 2HH2 ARG 65 30.867 13.618 -41.863 454 H THR 66 H THR 66 29.793 10.277 -34.633 455 HA THR 66 HA THR 66 27.530 10.800 -32.854 456 HB THR 66 HB THR 66 29.427 8.507 -32.340 457 HG1 THR 66 HG1 THR 66 28.133 7.875 -34.047 458 1HG2 THR 66 1HG2 THR 66 27.694 9.920 -30.653 459 2HG2 THR 66 2HG2 THR 66 26.872 8.404 -31.011 460 3HG2 THR 66 3HG2 THR 66 28.494 8.385 -30.316 461 H PHE 67 H PHE 67 28.090 11.710 -30.857 462 HA PHE 67 HA PHE 67 30.932 12.326 -30.449 463 1HB PHE 67 1HB PHE 67 28.861 14.438 -29.955 464 2HB PHE 67 2HB PHE 67 30.588 14.620 -30.243 465 HD1 PHE 67 HD1 PHE 67 27.613 13.226 -32.026 466 HD2 PHE 67 HD2 PHE 67 31.179 15.539 -32.254 467 HE1 PHE 67 HE1 PHE 67 27.165 13.676 -34.402 468 HE2 PHE 67 HE2 PHE 67 30.736 15.995 -34.631 469 HZ PHE 67 HZ PHE 67 28.728 15.060 -35.708 470 H TYR 68 H TYR 68 31.605 12.384 -28.356 471 HA TYR 68 HA TYR 68 29.725 11.411 -26.357 472 1HB TYR 68 1HB TYR 68 32.729 11.698 -26.396 473 2HB TYR 68 2HB TYR 68 31.839 11.214 -24.956 474 HD1 TYR 68 HD1 TYR 68 29.841 9.780 -27.178 475 HD2 TYR 68 HD2 TYR 68 33.892 9.450 -25.940 476 HE1 TYR 68 HE1 TYR 68 29.870 7.442 -27.937 477 HE2 TYR 68 HE2 TYR 68 33.940 7.113 -26.700 478 HH TYR 68 HH TYR 68 31.277 5.705 -28.484 479 H SER 69 H SER 69 30.585 14.367 -27.437 480 HA SER 69 HA SER 69 29.578 15.692 -25.125 481 1HB SER 69 2HB SER 69 31.458 16.285 -24.057 482 2HB SER 69 1HB SER 69 32.137 16.944 -25.546 483 HG SER 69 HG SER 69 33.346 15.241 -25.710 484 H CYS 70 H CYS 70 30.397 18.238 -25.516 485 HA CYS 70 HA CYS 70 28.837 19.207 -27.535 486 1HB CYS 70 2HB CYS 70 29.839 21.313 -27.185 487 2HB CYS 70 1HB CYS 70 31.390 20.602 -26.758 488 H THR 71 H THR 71 29.777 20.631 -29.421 489 HA THR 71 HA THR 71 32.114 19.714 -30.743 490 HB THR 71 HB THR 71 30.705 17.711 -31.093 491 HG1 THR 71 HG1 THR 71 32.141 18.011 -32.725 492 1HG2 THR 71 1HG2 THR 71 28.792 19.762 -31.982 493 2HG2 THR 71 2HG2 THR 71 28.902 18.341 -33.023 494 3HG2 THR 71 3HG2 THR 71 28.504 18.155 -31.314 495 H THR 72 H THR 72 31.988 20.383 -33.179 496 HA THR 72 HA THR 72 30.371 22.808 -33.505 497 HB THR 72 HB THR 72 32.500 23.825 -34.596 498 HG1 THR 72 HG1 THR 72 33.548 21.598 -33.928 499 1HG2 THR 72 1HG2 THR 72 31.300 24.092 -32.128 500 2HG2 THR 72 2HG2 THR 72 33.006 23.871 -31.732 501 3HG2 THR 72 3HG2 THR 72 32.511 25.173 -32.815 502 H GLU 73 H GLU 73 29.608 20.599 -34.745 503 HA GLU 73 HA GLU 73 30.747 20.696 -37.458 504 1HB GLU 73 1HB GLU 73 29.560 18.550 -35.804 505 2HB GLU 73 2HB GLU 73 29.155 18.518 -37.515 506 1HG GLU 73 1HG GLU 73 32.003 18.901 -36.877 507 2HG GLU 73 2HG GLU 73 31.320 17.331 -36.458 508 H GLY 74 H GLY 74 28.486 22.270 -35.945 509 1HA GLY 74 1HA GLY 74 26.933 22.800 -38.254 510 2HA GLY 74 2HA GLY 74 26.034 21.772 -37.150 511 H ARG 75 H ARG 75 27.897 24.786 -37.215 512 HA ARG 75 HA ARG 75 25.835 26.017 -35.539 513 1HB ARG 75 1HB ARG 75 27.711 27.226 -34.311 514 2HB ARG 75 2HB ARG 75 27.467 25.532 -33.907 515 1HG ARG 75 1HG ARG 75 29.315 24.973 -35.496 516 2HG ARG 75 2HG ARG 75 29.622 26.705 -35.647 517 1HD ARG 75 1HD ARG 75 29.496 26.247 -32.912 518 2HD ARG 75 2HD ARG 75 30.369 24.857 -33.552 519 HE ARG 75 HE ARG 75 31.441 27.383 -33.176 520 1HH1 ARG 75 1HH1 ARG 75 31.246 25.015 -35.729 521 2HH1 ARG 75 2HH1 ARG 75 32.707 25.538 -36.496 522 1HH2 ARG 75 1HH2 ARG 75 33.364 28.070 -34.179 523 2HH2 ARG 75 2HH2 ARG 75 33.911 27.271 -35.615 524 H GLN 76 H GLN 76 25.741 28.328 -35.702 525 HA GLN 76 HA GLN 76 27.086 29.388 -38.101 526 1HB GLN 76 2HB GLN 76 25.129 30.443 -38.815 527 2HB GLN 76 1HB GLN 76 24.376 30.334 -37.228 528 1HG GLN 76 1HG GLN 76 24.932 27.986 -39.022 529 2HG GLN 76 2HG GLN 76 24.056 27.964 -37.493 530 2HE2 GLN 76 1HE2 GLN 76 23.070 27.045 -39.986 531 1HE2 GLN 76 2HE2 GLN 76 21.709 28.022 -40.407 532 H ASP 77 H ASP 77 28.448 29.782 -35.908 533 HA ASP 77 HA ASP 77 28.499 32.595 -35.598 534 1HB ASP 77 1HB ASP 77 26.607 31.534 -33.986 535 2HB ASP 77 2HB ASP 77 28.013 31.403 -32.934 536 H GLY 78 H GLY 78 29.309 29.639 -33.798 537 1HA GLY 78 1HA GLY 78 31.740 28.995 -34.067 538 2HA GLY 78 2HA GLY 78 32.075 30.650 -33.580 539 H HIS 79 H HIS 79 29.506 28.725 -32.185 540 HA HIS 79 HA HIS 79 31.050 28.577 -29.678 541 1HB HIS 79 1HB HIS 79 28.049 28.731 -29.760 542 2HB HIS 79 2HB HIS 79 29.132 29.092 -28.421 543 HD1 HIS 79 HD1 HIS 79 31.016 31.011 -30.122 544 HD2 HIS 79 HD2 HIS 79 26.877 31.234 -29.842 545 HE1 HIS 79 HE1 HIS 79 30.432 33.391 -30.681 546 HE2 HIS 79 HE2 HIS 79 27.915 33.478 -30.600 547 H LEU 80 H LEU 80 31.454 26.559 -29.024 548 HA LEU 80 HA LEU 80 30.715 24.241 -30.269 549 1HB LEU 80 1HB LEU 80 31.540 24.887 -27.474 550 2HB LEU 80 2HB LEU 80 30.934 23.276 -27.803 551 HG LEU 80 HG LEU 80 32.686 22.895 -29.438 552 1HD1 LEU 80 1HD1 LEU 80 33.531 25.720 -28.811 553 2HD1 LEU 80 2HD1 LEU 80 34.473 24.566 -29.756 554 3HD1 LEU 80 3HD1 LEU 80 32.906 25.119 -30.347 555 1HD2 LEU 80 1HD2 LEU 80 33.027 23.077 -26.711 556 2HD2 LEU 80 2HD2 LEU 80 34.131 22.300 -27.847 557 3HD2 LEU 80 3HD2 LEU 80 34.404 23.971 -27.355 558 H TRP 81 H TRP 81 29.221 22.509 -29.575 559 HA TRP 81 HA TRP 81 26.918 23.302 -28.012 560 1HB TRP 81 2HB TRP 81 26.404 24.271 -30.210 561 2HB TRP 81 1HB TRP 81 25.302 22.953 -29.824 562 HD1 TRP 81 HD1 TRP 81 28.040 23.949 -32.270 563 HE1 TRP 81 HE1 TRP 81 28.140 22.216 -34.161 564 HE3 TRP 81 HE3 TRP 81 24.874 20.425 -30.330 565 HZ2 TRP 81 HZ2 TRP 81 27.031 19.694 -34.765 566 HZ3 TRP 81 HZ3 TRP 81 24.449 18.382 -31.633 567 HH2 TRP 81 HH2 TRP 81 25.506 18.026 -33.804 568 H CYS 82 H CYS 82 25.225 21.537 -28.047 569 HA CYS 82 HA CYS 82 26.169 18.885 -28.708 570 1HB CYS 82 1HB CYS 82 26.087 17.982 -26.493 571 2HB CYS 82 2HB CYS 82 27.133 19.396 -26.436 572 H SER 83 H SER 83 24.370 17.303 -27.534 573 HA SER 83 HA SER 83 21.801 18.430 -28.425 574 1HB SER 83 1HB SER 83 22.352 16.579 -29.810 575 2HB SER 83 2HB SER 83 22.856 15.602 -28.433 576 HG SER 83 HG SER 83 20.703 15.169 -29.352 577 H THR 84 H THR 84 20.123 18.548 -27.035 578 HA THR 84 HA THR 84 20.629 17.835 -24.273 579 HB THR 84 HB THR 84 18.830 19.187 -23.673 580 HG1 THR 84 HG1 THR 84 17.060 19.491 -24.908 581 1HG2 THR 84 1HG2 THR 84 20.421 20.171 -25.949 582 2HG2 THR 84 2HG2 THR 84 18.947 21.080 -25.617 583 3HG2 THR 84 3HG2 THR 84 20.161 20.879 -24.355 584 H THR 85 H THR 85 19.149 16.370 -26.941 585 HA THR 85 HA THR 85 18.032 14.319 -25.195 586 HB THR 85 HB THR 85 16.296 16.160 -26.149 587 HG1 THR 85 HG1 THR 85 15.229 14.833 -24.909 588 1HG2 THR 85 1HG2 THR 85 16.940 15.071 -28.507 589 2HG2 THR 85 2HG2 THR 85 15.678 13.942 -28.020 590 3HG2 THR 85 3HG2 THR 85 15.320 15.665 -28.145 591 H SER 86 H SER 86 17.344 12.357 -26.480 592 HA SER 86 HA SER 86 19.468 11.351 -27.928 593 1HB SER 86 1HB SER 86 17.731 9.952 -26.876 594 2HB SER 86 2HB SER 86 16.576 10.472 -28.102 595 HG SER 86 HG SER 86 18.941 8.957 -28.486 596 H ASN 87 H ASN 87 16.314 12.336 -29.281 597 HA ASN 87 HA ASN 87 17.460 12.358 -31.952 598 1HB ASN 87 1HB ASN 87 14.871 11.954 -30.854 599 2HB ASN 87 2HB ASN 87 14.784 13.362 -31.908 600 2HD2 ASN 87 1HD2 ASN 87 13.501 12.243 -33.382 601 1HD2 ASN 87 2HD2 ASN 87 14.157 11.043 -34.438 602 H TYR 88 H TYR 88 18.850 14.118 -31.980 603 HA TYR 88 HA TYR 88 17.907 16.727 -31.172 604 1HB TYR 88 1HB TYR 88 20.175 16.492 -30.714 605 2HB TYR 88 2HB TYR 88 20.493 15.638 -32.220 606 HD1 TYR 88 HD1 TYR 88 19.040 18.971 -31.326 607 HD2 TYR 88 HD2 TYR 88 21.897 16.806 -33.617 608 HE1 TYR 88 HE1 TYR 88 19.799 21.073 -32.352 609 HE2 TYR 88 HE2 TYR 88 22.667 18.902 -34.647 610 HH TYR 88 HH TYR 88 20.949 21.813 -34.401 611 H GLU 89 H GLU 89 18.286 14.905 -34.116 612 HA GLU 89 HA GLU 89 17.883 17.210 -35.813 613 1HB GLU 89 1HB GLU 89 18.295 14.279 -36.296 614 2HB GLU 89 2HB GLU 89 17.737 15.325 -37.596 615 1HG GLU 89 1HG GLU 89 19.747 16.770 -37.136 616 2HG GLU 89 2HG GLU 89 20.325 15.481 -36.082 617 H GLN 90 H GLN 90 15.817 15.886 -33.839 618 HA GLN 90 HA GLN 90 13.591 15.970 -35.765 619 1HB GLN 90 1HB GLN 90 13.448 13.767 -35.163 620 2HB GLN 90 2HB GLN 90 14.189 14.035 -33.592 621 1HG GLN 90 1HG GLN 90 11.943 13.392 -33.215 622 2HG GLN 90 2HG GLN 90 12.060 15.116 -32.863 623 2HE2 GLN 90 1HE2 GLN 90 10.594 16.389 -33.745 624 1HE2 GLN 90 2HE2 GLN 90 9.586 15.996 -35.092 625 H ASP 91 H ASP 91 14.552 16.523 -32.404 626 HA ASP 91 HA ASP 91 12.182 18.130 -31.924 627 1HB ASP 91 1HB ASP 91 14.396 17.069 -30.218 628 2HB ASP 91 2HB ASP 91 13.409 18.403 -29.628 629 H GLN 92 H GLN 92 15.662 18.567 -32.259 630 HA GLN 92 HA GLN 92 16.866 20.419 -32.843 631 1HB GLN 92 1HB GLN 92 14.241 21.052 -33.692 632 2HB GLN 92 2HB GLN 92 14.876 22.478 -32.885 633 1HG GLN 92 1HG GLN 92 15.540 22.832 -35.049 634 2HG GLN 92 2HG GLN 92 16.969 22.060 -34.363 635 2HE2 GLN 92 1HE2 GLN 92 14.324 21.758 -36.562 636 1HE2 GLN 92 2HE2 GLN 92 14.842 20.294 -37.319 637 H LYS 93 H LYS 93 16.672 19.724 -30.189 638 HA LYS 93 HA LYS 93 16.595 22.335 -28.833 639 1HB LYS 93 1HB LYS 93 16.134 21.143 -26.739 640 2HB LYS 93 2HB LYS 93 14.893 20.833 -27.943 641 1HG LYS 93 1HG LYS 93 17.170 18.950 -27.417 642 2HG LYS 93 2HG LYS 93 15.624 18.856 -26.586 643 1HD LYS 93 1HD LYS 93 14.731 17.758 -28.291 644 2HD LYS 93 2HD LYS 93 15.153 19.070 -29.389 645 1HE LYS 93 1HE LYS 93 16.096 16.539 -29.593 646 2HE LYS 93 2HE LYS 93 16.918 17.956 -30.231 647 1HZ LYS 93 1HZ LYS 93 17.414 17.017 -27.480 648 2HZ LYS 93 2HZ LYS 93 18.246 16.348 -28.793 649 3HZ LYS 93 3HZ LYS 93 18.389 17.997 -28.452 650 H TYR 94 H TYR 94 18.792 22.537 -29.709 651 HA TYR 94 HA TYR 94 20.822 20.865 -28.450 652 1HB TYR 94 1HB TYR 94 22.346 21.751 -29.998 653 2HB TYR 94 2HB TYR 94 20.843 21.645 -30.909 654 HD1 TYR 94 HD1 TYR 94 19.461 23.741 -31.208 655 HD2 TYR 94 HD2 TYR 94 23.437 23.821 -29.700 656 HE1 TYR 94 HE1 TYR 94 19.607 26.137 -31.739 657 HE2 TYR 94 HE2 TYR 94 23.594 26.219 -30.225 658 HH TYR 94 HH TYR 94 21.389 28.177 -30.557 659 H SER 95 H SER 95 22.900 22.275 -27.911 660 HA SER 95 HA SER 95 22.248 24.698 -26.439 661 1HB SER 95 1HB SER 95 23.833 23.264 -24.621 662 2HB SER 95 2HB SER 95 22.125 23.668 -24.446 663 HG SER 95 HG SER 95 21.635 21.696 -25.495 664 H PHE 96 H PHE 96 24.355 25.590 -25.404 665 HA PHE 96 HA PHE 96 26.496 25.241 -27.385 666 1HB PHE 96 1HB PHE 96 25.632 27.544 -25.681 667 2HB PHE 96 2HB PHE 96 27.295 27.464 -26.243 668 HD1 PHE 96 HD1 PHE 96 26.351 26.069 -28.950 669 HD2 PHE 96 HD2 PHE 96 25.286 29.622 -26.860 670 HE1 PHE 96 HE1 PHE 96 25.675 27.107 -31.068 671 HE2 PHE 96 HE2 PHE 96 24.607 30.665 -28.980 672 HZ PHE 96 HZ PHE 96 24.802 29.408 -31.087 673 H CYS 97 H CYS 97 28.708 26.014 -26.329 674 HA CYS 97 HA CYS 97 29.104 24.984 -23.655 675 1HB CYS 97 1HB CYS 97 30.294 23.626 -26.076 676 2HB CYS 97 2HB CYS 97 30.888 23.386 -24.436 677 H THR 98 H THR 98 30.709 26.043 -22.659 678 HA THR 98 HA THR 98 32.098 28.122 -24.063 679 HB THR 98 HB THR 98 32.516 29.025 -22.046 680 HG1 THR 98 HG1 THR 98 32.923 26.610 -20.664 681 1HG2 THR 98 1HG2 THR 98 30.145 27.910 -21.962 682 2HG2 THR 98 2HG2 THR 98 30.888 26.906 -20.718 683 3HG2 THR 98 3HG2 THR 98 30.830 28.656 -20.519 684 H ASP 99 H ASP 99 32.905 24.963 -22.772 685 HA ASP 99 HA ASP 99 34.701 23.601 -23.089 686 1HB ASP 99 1HB ASP 99 34.429 24.342 -25.475 687 2HB ASP 99 2HB ASP 99 35.623 25.598 -25.161 688 H HIS 100 H HIS 100 35.947 26.915 -23.552 689 HA HIS 100 HA HIS 100 38.209 26.323 -21.835 690 1HB HIS 100 1HB HIS 100 37.483 28.442 -23.762 691 2HB HIS 100 2HB HIS 100 38.463 28.966 -22.396 692 HD1 HIS 100 HD1 HIS 100 40.841 27.848 -22.166 693 HD2 HIS 100 HD2 HIS 100 38.815 26.989 -25.690 694 HE1 HIS 100 HE1 HIS 100 42.575 26.905 -23.724 695 HE2 HIS 100 HE2 HIS 100 41.344 26.481 -25.881 696 H THR 101 H THR 101 38.740 28.617 -20.529 697 HA THR 101 HA THR 101 36.391 29.075 -18.810 698 HB THR 101 HB THR 101 37.771 27.656 -17.511 699 HG1 THR 101 HG1 THR 101 38.601 30.237 -16.666 700 1HG2 THR 101 1HG2 THR 101 40.094 29.422 -18.289 701 2HG2 THR 101 2HG2 THR 101 40.170 28.091 -17.136 702 3HG2 THR 101 3HG2 THR 101 39.809 27.769 -18.833 No H/Q in entry = 702 Start of MODEL 40 1 H1 TYR 1 H1 TYR 1 52.833 13.973 -38.792 2 H2 TYR 1 H2 TYR 1 53.598 12.673 -38.026 3 H3 TYR 1 H3 TYR 1 54.485 14.055 -38.436 4 HA TYR 1 HA TYR 1 54.364 13.616 -40.721 5 1HB TYR 1 1HB TYR 1 55.150 11.453 -38.864 6 2HB TYR 1 2HB TYR 1 54.989 10.978 -40.552 7 HD1 TYR 1 HD1 TYR 1 56.643 13.492 -38.357 8 HD2 TYR 1 HD2 TYR 1 56.738 11.371 -42.045 9 HE1 TYR 1 HE1 TYR 1 58.879 14.404 -38.817 10 HE2 TYR 1 HE2 TYR 1 58.975 12.277 -42.515 11 HH TYR 1 HH TYR 1 60.250 14.851 -41.105 12 H GLY 2 H GLY 2 52.762 10.817 -39.185 13 1HA GLY 2 1HA GLY 2 50.486 11.098 -40.967 14 2HA GLY 2 2HA GLY 2 51.476 9.672 -41.239 15 H HIS 3 H HIS 3 51.096 7.904 -40.050 16 HA HIS 3 HA HIS 3 48.819 7.587 -38.528 17 1HB HIS 3 1HB HIS 3 51.315 6.043 -38.904 18 2HB HIS 3 2HB HIS 3 50.379 5.650 -37.467 19 HD1 HIS 3 HD1 HIS 3 50.111 5.680 -41.228 20 HD2 HIS 3 HD2 HIS 3 48.104 4.166 -37.920 21 HE1 HIS 3 HE1 HIS 3 48.389 4.098 -42.153 22 HE2 HIS 3 HE2 HIS 3 47.255 3.119 -40.128 23 H CYS 4 H CYS 4 48.427 7.381 -36.292 24 HA CYS 4 HA CYS 4 50.260 8.977 -34.634 25 1HB CYS 4 1HB CYS 4 47.803 8.666 -33.287 26 2HB CYS 4 2HB CYS 4 48.435 10.118 -34.047 27 H VAL 5 H VAL 5 50.650 8.337 -32.459 28 HA VAL 5 HA VAL 5 49.957 5.576 -31.769 29 HB VAL 5 HB VAL 5 52.781 6.637 -31.606 30 1HG1 VAL 5 1HG1 VAL 5 51.540 3.987 -30.903 31 2HG1 VAL 5 2HG1 VAL 5 53.276 4.215 -31.111 32 3HG1 VAL 5 3HG1 VAL 5 52.416 5.092 -29.845 33 1HG2 VAL 5 1HG2 VAL 5 52.059 6.204 -33.928 34 2HG2 VAL 5 2HG2 VAL 5 53.327 5.101 -33.393 35 3HG2 VAL 5 3HG2 VAL 5 51.654 4.550 -33.469 36 H THR 6 H THR 6 49.886 5.145 -29.560 37 HA THR 6 HA THR 6 50.660 7.207 -27.670 38 HB THR 6 HB THR 6 48.496 8.055 -28.101 39 HG1 THR 6 HG1 THR 6 49.063 7.532 -25.815 40 1HG2 THR 6 1HG2 THR 6 47.736 5.183 -28.288 41 2HG2 THR 6 2HG2 THR 6 46.514 6.332 -27.740 42 3HG2 THR 6 3HG2 THR 6 47.277 6.543 -29.315 43 H ASP 7 H ASP 7 51.729 6.121 -26.165 44 HA ASP 7 HA ASP 7 51.998 4.693 -24.370 45 1HB ASP 7 1HB ASP 7 49.356 4.386 -24.726 46 2HB ASP 7 2HB ASP 7 49.891 2.787 -25.236 47 H SER 8 H SER 8 52.414 4.220 -27.537 48 HA SER 8 HA SER 8 53.686 2.822 -28.801 49 1HB SER 8 1HB SER 8 55.432 3.125 -27.190 50 2HB SER 8 2HB SER 8 54.660 2.020 -26.054 51 HG SER 8 HG SER 8 55.081 0.793 -28.411 52 H GLY 9 H GLY 9 51.080 2.025 -28.445 53 1HA GLY 9 1HA GLY 9 51.358 -0.854 -28.777 54 2HA GLY 9 2HA GLY 9 50.302 -0.329 -27.476 55 H VAL 10 H VAL 10 49.121 1.883 -28.654 56 HA VAL 10 HA VAL 10 47.456 0.570 -30.684 57 HB VAL 10 HB VAL 10 46.841 3.023 -29.031 58 1HG1 VAL 10 1HG1 VAL 10 45.522 1.732 -31.296 59 2HG1 VAL 10 2HG1 VAL 10 44.465 1.993 -29.908 60 3HG1 VAL 10 3HG1 VAL 10 45.317 3.354 -30.637 61 1HG2 VAL 10 1HG2 VAL 10 47.043 0.643 -27.939 62 2HG2 VAL 10 2HG2 VAL 10 45.707 1.717 -27.522 63 3HG2 VAL 10 3HG2 VAL 10 45.458 0.408 -28.677 64 H VAL 11 H VAL 11 48.204 1.009 -32.670 65 HA VAL 11 HA VAL 11 49.355 3.593 -33.305 66 HB VAL 11 HB VAL 11 48.902 1.131 -34.994 67 1HG1 VAL 11 1HG1 VAL 11 49.520 3.865 -35.761 68 2HG1 VAL 11 2HG1 VAL 11 50.744 2.716 -36.302 69 3HG1 VAL 11 3HG1 VAL 11 49.056 2.487 -36.759 70 1HG2 VAL 11 1HG2 VAL 11 50.688 1.265 -33.108 71 2HG2 VAL 11 2HG2 VAL 11 51.135 0.624 -34.688 72 3HG2 VAL 11 3HG2 VAL 11 51.560 2.281 -34.256 73 H TYR 12 H TYR 12 47.729 5.100 -33.260 74 HA TYR 12 HA TYR 12 45.216 4.658 -34.589 75 1HB TYR 12 1HB TYR 12 46.461 7.023 -33.205 76 2HB TYR 12 2HB TYR 12 44.940 7.165 -34.078 77 HD1 TYR 12 HD1 TYR 12 43.148 5.303 -33.419 78 HD2 TYR 12 HD2 TYR 12 46.367 6.583 -30.949 79 HE1 TYR 12 HE1 TYR 12 41.933 4.508 -31.434 80 HE2 TYR 12 HE2 TYR 12 45.161 5.790 -28.956 81 HH TYR 12 HH TYR 12 41.937 4.317 -29.225 82 H SER 13 H SER 13 44.521 6.753 -35.964 83 HA SER 13 HA SER 13 46.599 7.470 -37.877 84 1HB SER 13 1HB SER 13 44.232 5.745 -38.488 85 2HB SER 13 2HB SER 13 44.777 6.897 -39.706 86 HG SER 13 HG SER 13 45.933 4.559 -38.851 87 H VAL 14 H VAL 14 46.139 9.344 -39.059 88 HA VAL 14 HA VAL 14 44.670 11.313 -37.770 89 HB VAL 14 HB VAL 14 46.350 12.058 -39.231 90 1HG1 VAL 14 1HG1 VAL 14 44.984 10.442 -41.375 91 2HG1 VAL 14 2HG1 VAL 14 46.288 11.588 -41.685 92 3HG1 VAL 14 3HG1 VAL 14 46.580 10.172 -40.674 93 1HG2 VAL 14 1HG2 VAL 14 43.898 13.143 -39.348 94 2HG2 VAL 14 2HG2 VAL 14 45.285 13.792 -40.221 95 3HG2 VAL 14 3HG2 VAL 14 44.129 12.752 -41.052 96 H GLY 15 H GLY 15 42.588 10.429 -37.337 97 1HA GLY 15 1HA GLY 15 40.367 11.195 -38.209 98 2HA GLY 15 2HA GLY 15 40.804 10.358 -39.686 99 H MET 16 H MET 16 41.911 8.726 -36.948 100 HA MET 16 HA MET 16 40.130 6.541 -37.398 101 1HB MET 16 1HB MET 16 42.569 7.013 -35.948 102 2HB MET 16 2HB MET 16 41.414 6.193 -34.905 103 1HG MET 16 1HG MET 16 41.366 4.944 -37.457 104 2HG MET 16 2HG MET 16 43.042 5.099 -36.937 105 1HE MET 16 1HE MET 16 44.046 3.451 -36.273 106 2HE MET 16 2HE MET 16 43.781 2.547 -34.782 107 3HE MET 16 3HE MET 16 43.194 1.908 -36.318 108 H GLN 17 H GLN 17 40.007 9.353 -35.487 109 HA GLN 17 HA GLN 17 38.749 9.969 -33.651 110 1HB GLN 17 1HB GLN 17 37.118 9.174 -35.921 111 2HB GLN 17 2HB GLN 17 36.235 9.038 -34.407 112 1HG GLN 17 1HG GLN 17 37.087 11.417 -33.940 113 2HG GLN 17 2HG GLN 17 37.448 11.466 -35.664 114 2HE2 GLN 17 1HE2 GLN 17 35.154 12.079 -33.356 115 1HE2 GLN 17 2HE2 GLN 17 33.757 12.164 -34.368 116 H TRP 18 H TRP 18 39.341 8.820 -31.864 117 HA TRP 18 HA TRP 18 37.657 6.496 -31.231 118 1HB TRP 18 2HB TRP 18 39.910 5.708 -31.854 119 2HB TRP 18 1HB TRP 18 39.538 5.375 -30.166 120 HD1 TRP 18 HD1 TRP 18 41.061 6.476 -28.339 121 HE1 TRP 18 HE1 TRP 18 43.231 7.847 -28.437 122 HE3 TRP 18 HE3 TRP 18 41.140 7.514 -33.345 123 HZ2 TRP 18 HZ2 TRP 18 44.779 9.195 -30.380 124 HZ3 TRP 18 HZ3 TRP 18 42.998 8.849 -34.242 125 HH2 TRP 18 HH2 TRP 18 44.780 9.673 -32.792 126 H LEU 19 H LEU 19 38.535 6.002 -28.681 127 HA LEU 19 HA LEU 19 38.260 8.534 -27.232 128 1HB LEU 19 1HB LEU 19 36.009 7.498 -27.535 129 2HB LEU 19 2HB LEU 19 36.580 6.095 -26.652 130 HG LEU 19 HG LEU 19 37.120 7.872 -24.785 131 1HD1 LEU 19 1HD1 LEU 19 35.672 9.408 -26.746 132 2HD1 LEU 19 2HD1 LEU 19 34.806 9.367 -25.211 133 3HD1 LEU 19 3HD1 LEU 19 36.473 9.941 -25.268 134 1HD2 LEU 19 1HD2 LEU 19 35.126 6.020 -25.226 135 2HD2 LEU 19 2HD2 LEU 19 35.443 6.866 -23.712 136 3HD2 LEU 19 3HD2 LEU 19 34.238 7.493 -24.837 137 H LYS 20 H LYS 20 39.930 8.648 -25.901 138 HA LYS 20 HA LYS 20 41.310 6.264 -25.031 139 1HB LYS 20 1HB LYS 20 42.365 8.519 -25.707 140 2HB LYS 20 2HB LYS 20 41.912 9.056 -24.096 141 1HG LYS 20 1HG LYS 20 44.254 8.275 -24.277 142 2HG LYS 20 2HG LYS 20 43.302 7.397 -23.079 143 1HD LYS 20 1HD LYS 20 43.072 6.097 -25.621 144 2HD LYS 20 2HD LYS 20 44.778 6.344 -25.238 145 1HE LYS 20 1HE LYS 20 43.621 5.488 -22.853 146 2HE LYS 20 2HE LYS 20 42.880 4.486 -24.099 147 1HZ LYS 20 1HZ LYS 20 45.809 4.880 -23.852 148 2HZ LYS 20 2HZ LYS 20 44.980 3.589 -23.140 149 3HZ LYS 20 3HZ LYS 20 45.000 3.754 -24.822 150 H THR 21 H THR 21 41.458 5.469 -22.976 151 HA THR 21 HA THR 21 40.045 6.800 -20.801 152 HB THR 21 HB THR 21 39.393 3.934 -20.954 153 HG1 THR 21 HG1 THR 21 38.829 4.151 -23.017 154 1HG2 THR 21 1HG2 THR 21 38.535 6.093 -19.510 155 2HG2 THR 21 2HG2 THR 21 37.257 5.929 -20.715 156 3HG2 THR 21 3HG2 THR 21 37.660 4.569 -19.666 157 H GLN 22 H GLN 22 40.740 6.170 -18.749 158 HA GLN 22 HA GLN 22 43.088 4.389 -18.733 159 1HB GLN 22 1HB GLN 22 42.511 6.935 -17.259 160 2HB GLN 22 2HB GLN 22 43.620 5.756 -16.572 161 1HG GLN 22 1HG GLN 22 44.117 6.432 -19.383 162 2HG GLN 22 2HG GLN 22 44.335 7.758 -18.243 163 2HE2 GLN 22 1HE2 GLN 22 46.368 6.504 -19.790 164 1HE2 GLN 22 2HE2 GLN 22 47.491 5.788 -18.689 165 H GLY 23 H GLY 23 39.953 4.928 -17.531 166 1HA GLY 23 1HA GLY 23 38.865 3.010 -16.479 167 2HA GLY 23 2HA GLY 23 40.343 2.761 -15.563 168 H ASN 24 H ASN 24 40.514 5.770 -15.224 169 HA ASN 24 HA ASN 24 38.698 5.895 -12.922 170 1HB ASN 24 1HB ASN 24 41.323 7.209 -13.561 171 2HB ASN 24 2HB ASN 24 40.252 7.907 -12.349 172 2HD2 ASN 24 1HD2 ASN 24 42.897 6.180 -12.574 173 1HD2 ASN 24 2HD2 ASN 24 42.728 5.111 -11.228 174 H LYS 25 H LYS 25 39.574 7.520 -15.890 175 HA LYS 25 HA LYS 25 37.185 9.196 -15.624 176 1HB LYS 25 1HB LYS 25 38.471 11.111 -16.623 177 2HB LYS 25 2HB LYS 25 38.932 10.695 -14.978 178 1HG LYS 25 1HG LYS 25 40.644 9.170 -16.478 179 2HG LYS 25 2HG LYS 25 40.499 10.648 -17.432 180 1HD LYS 25 1HD LYS 25 40.849 11.030 -14.531 181 2HD LYS 25 2HD LYS 25 42.230 10.333 -15.380 182 1HE LYS 25 1HE LYS 25 42.423 12.194 -16.808 183 2HE LYS 25 2HE LYS 25 40.825 12.794 -16.373 184 1HZ LYS 25 1HZ LYS 25 42.519 12.569 -14.093 185 2HZ LYS 25 2HZ LYS 25 43.212 13.565 -15.274 186 3HZ LYS 25 3HZ LYS 25 41.671 13.914 -14.671 187 H GLN 26 H GLN 26 36.892 10.416 -17.854 188 HA GLN 26 HA GLN 26 37.412 8.464 -20.001 189 1HB GLN 26 1HB GLN 26 34.934 10.164 -19.684 190 2HB GLN 26 2HB GLN 26 35.235 8.985 -20.953 191 1HG GLN 26 1HG GLN 26 33.853 7.838 -19.511 192 2HG GLN 26 2HG GLN 26 35.456 7.297 -19.018 193 2HE2 GLN 26 1HE2 GLN 26 34.173 6.732 -17.066 194 1HE2 GLN 26 2HE2 GLN 26 34.015 7.935 -15.836 195 H MET 27 H MET 27 37.880 9.259 -22.039 196 HA MET 27 HA MET 27 37.867 12.100 -22.553 197 1HB MET 27 1HB MET 27 39.947 11.875 -21.296 198 2HB MET 27 2HB MET 27 40.475 10.583 -22.364 199 1HG MET 27 1HG MET 27 39.818 12.910 -23.899 200 2HG MET 27 2HG MET 27 40.950 13.329 -22.615 201 1HE MET 27 1HE MET 27 42.980 11.394 -22.095 202 2HE MET 27 2HE MET 27 44.143 11.463 -23.420 203 3HE MET 27 3HE MET 27 43.461 12.952 -22.767 204 H LEU 28 H LEU 28 38.027 12.596 -24.740 205 HA LEU 28 HA LEU 28 37.944 10.263 -26.534 206 1HB LEU 28 1HB LEU 28 35.876 11.470 -26.559 207 2HB LEU 28 2HB LEU 28 36.706 13.000 -26.768 208 HG LEU 28 HG LEU 28 37.560 11.812 -28.989 209 1HD1 LEU 28 1HD1 LEU 28 36.399 9.697 -28.445 210 2HD1 LEU 28 2HD1 LEU 28 34.859 10.554 -28.546 211 3HD1 LEU 28 3HD1 LEU 28 35.881 10.403 -29.976 212 1HD2 LEU 28 1HD2 LEU 28 36.039 13.896 -28.512 213 2HD2 LEU 28 2HD2 LEU 28 36.114 13.185 -30.125 214 3HD2 LEU 28 3HD2 LEU 28 34.756 12.818 -29.061 215 H CYS 29 H CYS 29 39.469 10.024 -28.039 216 HA CYS 29 HA CYS 29 41.310 12.280 -28.503 217 1HB CYS 29 1HB CYS 29 41.713 9.351 -28.221 218 2HB CYS 29 2HB CYS 29 42.730 10.183 -29.390 219 H THR 30 H THR 30 41.562 13.059 -30.512 220 HA THR 30 HA THR 30 40.547 11.471 -32.770 221 HB THR 30 HB THR 30 40.042 14.422 -32.339 222 HG1 THR 30 HG1 THR 30 38.301 12.167 -32.484 223 1HG2 THR 30 1HG2 THR 30 40.181 12.829 -34.756 224 2HG2 THR 30 2HG2 THR 30 38.577 13.527 -34.534 225 3HG2 THR 30 3HG2 THR 30 39.996 14.573 -34.570 226 H CYS 31 H CYS 31 42.066 11.170 -34.228 227 HA CYS 31 HA CYS 31 44.473 12.786 -34.192 228 1HB CYS 31 1HB CYS 31 44.256 10.196 -34.462 229 2HB CYS 31 2HB CYS 31 43.960 10.574 -36.145 230 H LEU 32 H LEU 32 43.924 14.766 -35.054 231 HA LEU 32 HA LEU 32 42.494 14.976 -37.541 232 1HB LEU 32 1HB LEU 32 43.122 17.441 -37.232 233 2HB LEU 32 2HB LEU 32 42.066 16.714 -36.040 234 HG LEU 32 HG LEU 32 44.965 16.653 -35.453 235 1HD1 LEU 32 1HD1 LEU 32 43.364 19.143 -35.721 236 2HD1 LEU 32 2HD1 LEU 32 44.536 19.007 -34.410 237 3HD1 LEU 32 3HD1 LEU 32 45.065 18.845 -36.083 238 1HD2 LEU 32 1HD2 LEU 32 42.805 15.912 -34.070 239 2HD2 LEU 32 2HD2 LEU 32 44.273 16.511 -33.297 240 3HD2 LEU 32 3HD2 LEU 32 42.904 17.595 -33.549 241 H GLY 33 H GLY 33 43.873 17.069 -38.804 242 1HA GLY 33 1HA GLY 33 45.838 15.577 -40.247 243 2HA GLY 33 2HA GLY 33 45.374 17.243 -40.541 244 H ASN 34 H ASN 34 45.975 18.167 -37.864 245 HA ASN 34 HA ASN 34 48.772 18.645 -38.236 246 1HB ASN 34 1HB ASN 34 48.536 20.345 -36.724 247 2HB ASN 34 2HB ASN 34 46.847 20.151 -37.174 248 2HD2 ASN 34 1HD2 ASN 34 48.128 21.155 -34.712 249 1HD2 ASN 34 2HD2 ASN 34 47.460 20.210 -33.430 250 H GLY 35 H GLY 35 46.856 16.535 -36.228 251 1HA GLY 35 1HA GLY 35 48.865 14.728 -35.675 252 2HA GLY 35 2HA GLY 35 48.920 15.895 -34.364 253 H VAL 36 H VAL 36 47.656 15.533 -32.662 254 HA VAL 36 HA VAL 36 45.162 14.052 -32.995 255 HB VAL 36 HB VAL 36 47.391 13.186 -31.155 256 1HG1 VAL 36 1HG1 VAL 36 44.490 12.899 -30.887 257 2HG1 VAL 36 2HG1 VAL 36 45.381 11.380 -30.778 258 3HG1 VAL 36 3HG1 VAL 36 45.767 12.709 -29.685 259 1HG2 VAL 36 1HG2 VAL 36 47.230 12.418 -33.605 260 2HG2 VAL 36 2HG2 VAL 36 47.435 11.191 -32.357 261 3HG2 VAL 36 3HG2 VAL 36 45.844 11.471 -33.066 262 H SER 37 H SER 37 43.627 15.176 -32.020 263 HA SER 37 HA SER 37 44.317 16.693 -29.589 264 1HB SER 37 1HB SER 37 43.823 18.194 -31.468 265 2HB SER 37 2HB SER 37 42.267 17.397 -31.706 266 HG SER 37 HG SER 37 42.911 18.494 -29.200 267 H CYS 38 H CYS 38 43.464 15.757 -27.857 268 HA CYS 38 HA CYS 38 40.904 14.336 -28.133 269 1HB CYS 38 2HB CYS 38 41.543 12.918 -26.395 270 2HB CYS 38 1HB CYS 38 42.716 14.062 -25.758 271 H GLN 39 H GLN 39 39.799 14.250 -25.802 272 HA GLN 39 HA GLN 39 39.846 16.886 -24.548 273 1HB GLN 39 1HB GLN 39 37.486 15.680 -25.962 274 2HB GLN 39 2HB GLN 39 37.260 16.809 -24.634 275 1HG GLN 39 1HG GLN 39 37.761 18.569 -25.901 276 2HG GLN 39 2HG GLN 39 39.156 17.764 -26.621 277 2HE2 GLN 39 1HE2 GLN 39 37.991 15.607 -27.820 278 1HE2 GLN 39 2HE2 GLN 39 36.937 16.135 -29.084 279 H GLU 40 H GLU 40 40.494 16.127 -22.597 280 HA GLU 40 HA GLU 40 39.615 13.743 -21.391 281 1HB GLU 40 2HB GLU 40 40.885 14.364 -19.566 282 2HB GLU 40 1HB GLU 40 40.451 16.062 -19.708 283 1HG GLU 40 1HG GLU 40 41.989 15.054 -21.973 284 2HG GLU 40 2HG GLU 40 42.197 16.522 -21.019 285 H THR 41 H THR 41 37.968 13.272 -20.022 286 HA THR 41 HA THR 41 36.126 13.575 -18.672 287 HB THR 41 HB THR 41 36.215 16.519 -19.353 288 HG1 THR 41 HG1 THR 41 37.236 16.645 -17.230 289 1HG2 THR 41 1HG2 THR 41 34.842 14.953 -17.171 290 2HG2 THR 41 2HG2 THR 41 34.935 16.713 -17.230 291 3HG2 THR 41 3HG2 THR 41 34.075 15.833 -18.493 292 H ALA 42 H ALA 42 36.185 15.529 -21.633 293 HA ALA 42 HA ALA 42 34.868 15.340 -23.512 294 1HB ALA 42 2HB ALA 42 33.003 13.521 -22.030 295 2HB ALA 42 3HB ALA 42 33.275 13.651 -23.767 296 3HB ALA 42 1HB ALA 42 34.513 12.941 -22.731 297 H VAL 43 H VAL 43 34.454 17.540 -23.005 298 HA VAL 43 HA VAL 43 31.662 18.125 -22.729 299 HB VAL 43 HB VAL 43 31.682 19.465 -20.779 300 1HG1 VAL 43 1HG1 VAL 43 31.499 17.056 -20.363 301 2HG1 VAL 43 2HG1 VAL 43 33.247 16.969 -20.135 302 3HG1 VAL 43 3HG1 VAL 43 32.256 17.900 -19.013 303 1HG2 VAL 43 1HG2 VAL 43 34.666 19.032 -20.660 304 2HG2 VAL 43 2HG2 VAL 43 33.839 20.537 -21.063 305 3HG2 VAL 43 3HG2 VAL 43 33.707 19.867 -19.437 306 H THR 44 H THR 44 31.391 20.645 -22.638 307 HA THR 44 HA THR 44 33.329 22.437 -23.407 308 HB THR 44 HB THR 44 33.903 21.360 -25.391 309 HG1 THR 44 HG1 THR 44 33.595 23.271 -26.272 310 1HG2 THR 44 1HG2 THR 44 32.091 19.688 -25.355 311 2HG2 THR 44 2HG2 THR 44 30.970 20.909 -25.960 312 3HG2 THR 44 3HG2 THR 44 32.321 20.379 -26.962 313 H GLN 45 H GLN 45 32.352 24.327 -24.766 314 HA GLN 45 HA GLN 45 29.881 25.043 -23.477 315 1HB GLN 45 2HB GLN 45 30.202 27.223 -24.522 316 2HB GLN 45 1HB GLN 45 31.479 26.572 -25.539 317 1HG GLN 45 1HG GLN 45 32.378 25.940 -23.047 318 2HG GLN 45 2HG GLN 45 32.861 27.356 -23.980 319 2HE2 GLN 45 1HE2 GLN 45 29.823 26.638 -22.324 320 1HE2 GLN 45 2HE2 GLN 45 29.878 27.996 -21.258 321 H THR 46 H THR 46 28.202 26.241 -24.884 322 HA THR 46 HA THR 46 27.811 25.089 -27.518 323 HB THR 46 HB THR 46 25.380 24.478 -26.748 324 HG1 THR 46 HG1 THR 46 26.265 25.206 -24.471 325 1HG2 THR 46 1HG2 THR 46 27.840 23.007 -26.963 326 2HG2 THR 46 2HG2 THR 46 26.792 22.266 -25.753 327 3HG2 THR 46 3HG2 THR 46 26.202 22.513 -27.398 328 H TYR 47 H TYR 47 26.669 26.402 -28.835 329 HA TYR 47 HA TYR 47 24.963 28.476 -27.710 330 1HB TYR 47 1HB TYR 47 26.083 30.276 -28.925 331 2HB TYR 47 2HB TYR 47 27.199 29.505 -27.804 332 HD1 TYR 47 HD1 TYR 47 26.247 29.765 -31.369 333 HD2 TYR 47 HD2 TYR 47 29.181 28.458 -28.579 334 HE1 TYR 47 HE1 TYR 47 27.826 29.387 -33.216 335 HE2 TYR 47 HE2 TYR 47 30.769 28.076 -30.417 336 HH TYR 47 HH TYR 47 30.829 27.735 -32.757 337 H GLY 48 H GLY 48 23.994 29.816 -29.595 338 1HA GLY 48 1HA GLY 48 22.437 29.665 -31.292 339 2HA GLY 48 2HA GLY 48 23.835 29.119 -32.206 340 H GLY 49 H GLY 49 22.762 27.674 -33.499 341 1HA GLY 49 1HA GLY 49 22.054 25.551 -34.055 342 2HA GLY 49 2HA GLY 49 22.277 25.089 -32.373 343 H ASN 50 H ASN 50 20.275 23.841 -32.878 344 HA ASN 50 HA ASN 50 17.822 25.302 -33.188 345 1HB ASN 50 1HB ASN 50 18.551 22.727 -33.709 346 2HB ASN 50 2HB ASN 50 17.667 22.530 -32.198 347 2HD2 ASN 50 1HD2 ASN 50 15.502 23.512 -32.116 348 1HD2 ASN 50 2HD2 ASN 50 14.542 23.495 -33.552 349 H SER 51 H SER 51 19.845 24.632 -30.586 350 HA SER 51 HA SER 51 17.636 24.948 -28.664 351 1HB SER 51 1HB SER 51 19.825 23.133 -28.712 352 2HB SER 51 2HB SER 51 20.074 24.230 -27.353 353 HG SER 51 HG SER 51 18.330 22.203 -27.587 354 H ASN 52 H ASN 52 20.246 26.528 -30.091 355 HA ASN 52 HA ASN 52 21.173 28.581 -29.769 356 1HB ASN 52 1HB ASN 52 18.966 29.448 -29.393 357 2HB ASN 52 2HB ASN 52 18.931 28.801 -27.757 358 2HD2 ASN 52 1HD2 ASN 52 20.724 31.042 -29.824 359 1HD2 ASN 52 2HD2 ASN 52 21.082 32.182 -28.576 360 H GLY 53 H GLY 53 21.625 26.094 -27.923 361 1HA GLY 53 1HA GLY 53 23.730 25.952 -26.715 362 2HA GLY 53 2HA GLY 53 23.389 27.543 -26.053 363 H GLU 54 H GLU 54 21.854 24.327 -26.206 364 HA GLU 54 HA GLU 54 21.183 24.638 -23.353 365 1HB GLU 54 1HB GLU 54 19.606 23.430 -25.607 366 2HB GLU 54 2HB GLU 54 19.294 22.980 -23.942 367 1HG GLU 54 2HG GLU 54 17.767 24.648 -24.235 368 2HG GLU 54 1HG GLU 54 18.803 25.556 -25.334 369 HA PRO 55 HA PRO 55 23.171 20.915 -22.154 370 1HB PRO 55 1HB PRO 55 20.527 19.709 -21.504 371 2HB PRO 55 2HB PRO 55 21.964 19.879 -20.492 372 1HG PRO 55 1HG PRO 55 19.851 21.462 -20.134 373 2HG PRO 55 2HG PRO 55 21.502 22.090 -19.974 374 1HD PRO 55 1HD PRO 55 19.544 22.444 -22.198 375 2HD PRO 55 2HD PRO 55 20.751 23.581 -21.562 376 H CYS 56 H CYS 56 23.988 19.412 -23.460 377 HA CYS 56 HA CYS 56 22.563 18.476 -25.755 378 1HB CYS 56 1HB CYS 56 25.263 17.847 -24.595 379 2HB CYS 56 2HB CYS 56 24.624 16.994 -25.989 380 H VAL 57 H VAL 57 23.206 15.870 -26.087 381 HA VAL 57 HA VAL 57 22.326 14.354 -23.776 382 HB VAL 57 HB VAL 57 20.240 15.150 -24.928 383 1HG1 VAL 57 1HG1 VAL 57 21.437 14.763 -27.231 384 2HG1 VAL 57 2HG1 VAL 57 20.747 13.148 -27.071 385 3HG1 VAL 57 3HG1 VAL 57 19.693 14.561 -27.071 386 1HG2 VAL 57 1HG2 VAL 57 20.841 12.711 -23.800 387 2HG2 VAL 57 2HG2 VAL 57 19.223 13.315 -24.155 388 3HG2 VAL 57 3HG2 VAL 57 20.047 12.270 -25.312 389 H LEU 58 H LEU 58 24.776 14.045 -24.717 390 HA LEU 58 HA LEU 58 24.737 11.860 -26.672 391 1HB LEU 58 1HB LEU 58 27.362 12.133 -26.148 392 2HB LEU 58 2HB LEU 58 26.520 13.033 -27.391 393 HG LEU 58 HG LEU 58 28.039 14.421 -26.041 394 1HD1 LEU 58 1HD1 LEU 58 25.368 14.950 -26.740 395 2HD1 LEU 58 2HD1 LEU 58 25.676 15.727 -25.186 396 3HD1 LEU 58 3HD1 LEU 58 26.708 16.086 -26.570 397 1HD2 LEU 58 1HD2 LEU 58 26.334 13.379 -23.834 398 2HD2 LEU 58 2HD2 LEU 58 28.078 13.634 -23.889 399 3HD2 LEU 58 3HD2 LEU 58 26.991 15.011 -23.714 400 HA PRO 59 HA PRO 59 27.035 10.584 -27.045 401 1HB PRO 59 1HB PRO 59 26.841 7.915 -27.525 402 2HB PRO 59 2HB PRO 59 28.167 8.641 -26.618 403 1HG PRO 59 1HG PRO 59 25.721 7.251 -25.610 404 2HG PRO 59 2HG PRO 59 27.393 7.133 -25.033 405 1HD PRO 59 1HD PRO 59 25.523 8.629 -23.778 406 2HD PRO 59 2HD PRO 59 27.240 9.078 -23.807 407 H PHE 60 H PHE 60 25.841 11.182 -28.741 408 HA PHE 60 HA PHE 60 23.185 9.963 -29.072 409 1HB PHE 60 1HB PHE 60 22.888 11.901 -30.748 410 2HB PHE 60 2HB PHE 60 22.866 12.281 -29.032 411 HD1 PHE 60 HD1 PHE 60 24.799 12.503 -32.139 412 HD2 PHE 60 HD2 PHE 60 24.579 13.622 -28.040 413 HE1 PHE 60 HE1 PHE 60 26.557 14.191 -32.508 414 HE2 PHE 60 HE2 PHE 60 26.335 15.308 -28.400 415 HZ PHE 60 HZ PHE 60 27.322 15.601 -30.634 416 H THR 61 H THR 61 22.540 9.801 -31.500 417 HA THR 61 HA THR 61 24.841 8.654 -32.943 418 HB THR 61 HB THR 61 22.212 7.613 -33.720 419 HG1 THR 61 HG1 THR 61 21.720 6.634 -31.860 420 1HG2 THR 61 1HG2 THR 61 24.339 6.713 -34.547 421 2HG2 THR 61 2HG2 THR 61 24.803 6.293 -32.897 422 3HG2 THR 61 3HG2 THR 61 23.429 5.491 -33.659 423 H TYR 62 H TYR 62 25.242 9.365 -34.926 424 HA TYR 62 HA TYR 62 23.126 10.852 -36.327 425 1HB TYR 62 1HB TYR 62 24.733 12.460 -35.444 426 2HB TYR 62 2HB TYR 62 26.056 11.577 -36.197 427 HD1 TYR 62 HD1 TYR 62 22.826 12.127 -37.864 428 HD2 TYR 62 HD2 TYR 62 26.863 13.420 -37.500 429 HE1 TYR 62 HE1 TYR 62 22.574 13.471 -39.908 430 HE2 TYR 62 HE2 TYR 62 26.620 14.770 -39.541 431 HH TYR 62 HH TYR 62 25.263 14.934 -41.490 432 H ASN 63 H ASN 63 22.607 9.929 -38.146 433 HA ASN 63 HA ASN 63 22.629 8.584 -39.963 434 1HB ASN 63 1HB ASN 63 24.662 8.921 -41.455 435 2HB ASN 63 2HB ASN 63 23.750 10.360 -41.015 436 2HD2 ASN 63 1HD2 ASN 63 26.596 8.460 -40.224 437 1HD2 ASN 63 2HD2 ASN 63 27.523 9.777 -39.606 438 H GLY 64 H GLY 64 23.960 7.478 -37.379 439 1HA GLY 64 1HA GLY 64 24.165 4.977 -37.546 440 2HA GLY 64 2HA GLY 64 25.390 5.288 -38.756 441 H ARG 65 H ARG 65 26.692 7.452 -37.293 442 HA ARG 65 HA ARG 65 28.162 5.742 -35.457 443 1HB ARG 65 2HB ARG 65 29.334 7.122 -37.182 444 2HB ARG 65 1HB ARG 65 29.931 7.321 -35.542 445 1HG ARG 65 1HG ARG 65 27.868 9.224 -36.481 446 2HG ARG 65 2HG ARG 65 29.234 9.472 -35.396 447 1HD ARG 65 1HD ARG 65 29.557 10.639 -37.527 448 2HD ARG 65 2HD ARG 65 30.774 9.387 -37.275 449 HE ARG 65 HE ARG 65 28.602 8.339 -38.726 450 1HH1 ARG 65 1HH1 ARG 65 31.322 10.483 -39.082 451 2HH1 ARG 65 2HH1 ARG 65 31.483 10.206 -40.784 452 1HH2 ARG 65 1HH2 ARG 65 28.804 7.967 -40.967 453 2HH2 ARG 65 2HH2 ARG 65 30.052 8.776 -41.856 454 H THR 66 H THR 66 29.286 7.524 -33.722 455 HA THR 66 HA THR 66 27.051 8.717 -32.246 456 HB THR 66 HB THR 66 29.078 6.896 -30.940 457 HG1 THR 66 HG1 THR 66 26.356 6.409 -31.639 458 1HG2 THR 66 1HG2 THR 66 28.079 8.720 -29.543 459 2HG2 THR 66 2HG2 THR 66 26.496 8.002 -29.841 460 3HG2 THR 66 3HG2 THR 66 27.729 7.090 -28.969 461 H PHE 67 H PHE 67 27.694 10.230 -30.604 462 HA PHE 67 HA PHE 67 30.475 11.127 -30.680 463 1HB PHE 67 1HB PHE 67 28.274 13.152 -30.980 464 2HB PHE 67 2HB PHE 67 29.995 13.339 -31.299 465 HD1 PHE 67 HD1 PHE 67 27.213 11.135 -32.447 466 HD2 PHE 67 HD2 PHE 67 30.572 13.521 -33.507 467 HE1 PHE 67 HE1 PHE 67 26.822 10.622 -34.815 468 HE2 PHE 67 HE2 PHE 67 30.184 13.015 -35.884 469 HZ PHE 67 HZ PHE 67 28.305 11.563 -36.538 470 H TYR 68 H TYR 68 31.197 11.988 -28.799 471 HA TYR 68 HA TYR 68 29.352 11.891 -26.529 472 1HB TYR 68 1HB TYR 68 32.373 12.065 -26.538 473 2HB TYR 68 2HB TYR 68 31.347 11.769 -25.137 474 HD1 TYR 68 HD1 TYR 68 29.450 9.814 -26.126 475 HD2 TYR 68 HD2 TYR 68 33.625 10.121 -26.855 476 HE1 TYR 68 HE1 TYR 68 29.540 7.393 -26.561 477 HE2 TYR 68 HE2 TYR 68 33.733 7.702 -27.292 478 HH TYR 68 HH TYR 68 31.566 5.568 -26.377 479 H SER 69 H SER 69 29.488 14.132 -28.466 480 HA SER 69 HA SER 69 28.922 16.282 -26.968 481 1HB SER 69 1HB SER 69 31.761 15.715 -26.739 482 2HB SER 69 2HB SER 69 31.480 17.328 -27.389 483 HG SER 69 HG SER 69 31.536 17.066 -25.008 484 H CYS 70 H CYS 70 30.204 18.434 -28.174 485 HA CYS 70 HA CYS 70 28.870 18.713 -30.568 486 1HB CYS 70 2HB CYS 70 30.050 20.721 -30.876 487 2HB CYS 70 1HB CYS 70 31.491 20.107 -30.078 488 H THR 71 H THR 71 29.623 18.809 -32.766 489 HA THR 71 HA THR 71 32.136 17.720 -33.539 490 HB THR 71 HB THR 71 31.050 15.622 -32.829 491 HG1 THR 71 HG1 THR 71 32.320 15.016 -34.427 492 1HG2 THR 71 1HG2 THR 71 28.842 16.735 -34.377 493 2HG2 THR 71 2HG2 THR 71 29.205 15.063 -34.805 494 3HG2 THR 71 3HG2 THR 71 28.830 15.485 -33.131 495 H THR 72 H THR 72 32.360 17.547 -35.872 496 HA THR 72 HA THR 72 30.311 19.086 -37.322 497 HB THR 72 HB THR 72 32.531 19.609 -38.781 498 HG1 THR 72 HG1 THR 72 33.997 20.291 -36.860 499 1HG2 THR 72 1HG2 THR 72 31.276 21.073 -36.486 500 2HG2 THR 72 2HG2 THR 72 32.641 21.769 -37.359 501 3HG2 THR 72 3HG2 THR 72 31.144 21.396 -38.213 502 H GLU 73 H GLU 73 29.563 16.792 -37.698 503 HA GLU 73 HA GLU 73 31.006 15.613 -39.980 504 1HB GLU 73 1HB GLU 73 29.669 14.380 -37.624 505 2HB GLU 73 2HB GLU 73 29.600 13.518 -39.154 506 1HG GLU 73 1HG GLU 73 32.129 14.430 -37.803 507 2HG GLU 73 2HG GLU 73 31.463 12.799 -37.718 508 H GLY 74 H GLY 74 28.601 17.562 -39.586 509 1HA GLY 74 1HA GLY 74 27.250 16.887 -41.947 510 2HA GLY 74 2HA GLY 74 26.305 16.293 -40.594 511 H ARG 75 H ARG 75 27.951 19.236 -41.704 512 HA ARG 75 HA ARG 75 25.621 20.770 -40.761 513 1HB ARG 75 1HB ARG 75 27.345 22.645 -40.325 514 2HB ARG 75 2HB ARG 75 27.192 21.352 -39.143 515 1HG ARG 75 1HG ARG 75 29.254 21.302 -41.322 516 2HG ARG 75 2HG ARG 75 29.537 22.067 -39.759 517 1HD ARG 75 1HD ARG 75 29.918 20.108 -38.791 518 2HD ARG 75 2HD ARG 75 28.422 19.431 -39.430 519 HE ARG 75 HE ARG 75 29.701 18.286 -40.918 520 1HH1 ARG 75 1HH1 ARG 75 31.399 21.191 -40.036 521 2HH1 ARG 75 2HH1 ARG 75 32.789 20.830 -41.003 522 1HH2 ARG 75 1HH2 ARG 75 31.526 17.798 -42.200 523 2HH2 ARG 75 2HH2 ARG 75 32.860 18.901 -42.235 524 H GLN 76 H GLN 76 26.032 23.197 -41.670 525 HA GLN 76 HA GLN 76 26.439 22.854 -44.566 526 1HB GLN 76 2HB GLN 76 24.112 23.358 -43.868 527 2HB GLN 76 1HB GLN 76 24.797 24.588 -44.922 528 1HG GLN 76 1HG GLN 76 23.854 24.783 -42.169 529 2HG GLN 76 2HG GLN 76 25.424 25.538 -42.437 530 2HE2 GLN 76 1HE2 GLN 76 22.068 25.488 -43.445 531 1HE2 GLN 76 2HE2 GLN 76 22.045 27.084 -44.106 532 H ASP 77 H ASP 77 28.492 23.534 -42.578 533 HA ASP 77 HA ASP 77 29.689 25.706 -43.977 534 1HB ASP 77 1HB ASP 77 28.012 26.484 -41.896 535 2HB ASP 77 2HB ASP 77 29.625 26.544 -41.194 536 H GLY 78 H GLY 78 30.010 24.838 -40.556 537 1HA GLY 78 1HA GLY 78 31.896 22.901 -40.560 538 2HA GLY 78 2HA GLY 78 32.832 24.339 -40.931 539 H HIS 79 H HIS 79 30.027 24.185 -38.806 540 HA HIS 79 HA HIS 79 31.762 25.047 -36.594 541 1HB HIS 79 1HB HIS 79 28.789 25.294 -36.466 542 2HB HIS 79 2HB HIS 79 30.030 26.328 -35.766 543 HD1 HIS 79 HD1 HIS 79 27.492 26.914 -37.854 544 HD2 HIS 79 HD2 HIS 79 31.586 27.193 -38.508 545 HE1 HIS 79 HE1 HIS 79 27.756 28.502 -39.786 546 HE2 HIS 79 HE2 HIS 79 30.246 28.715 -40.114 547 H LEU 80 H LEU 80 31.845 23.937 -34.714 548 HA LEU 80 HA LEU 80 31.134 21.228 -34.642 549 1HB LEU 80 1HB LEU 80 32.091 23.216 -32.636 550 2HB LEU 80 2HB LEU 80 31.455 21.691 -32.049 551 HG LEU 80 HG LEU 80 33.123 20.476 -33.387 552 1HD1 LEU 80 1HD1 LEU 80 33.269 22.495 -35.035 553 2HD1 LEU 80 2HD1 LEU 80 34.542 23.039 -33.943 554 3HD1 LEU 80 3HD1 LEU 80 34.679 21.476 -34.749 555 1HD2 LEU 80 1HD2 LEU 80 33.566 22.040 -31.082 556 2HD2 LEU 80 2HD2 LEU 80 34.408 20.573 -31.583 557 3HD2 LEU 80 3HD2 LEU 80 35.021 22.152 -32.073 558 H TRP 81 H TRP 81 29.163 20.385 -34.514 559 HA TRP 81 HA TRP 81 27.118 21.844 -32.984 560 1HB TRP 81 1HB TRP 81 25.439 20.669 -34.337 561 2HB TRP 81 2HB TRP 81 26.539 21.604 -35.344 562 HD1 TRP 81 HD1 TRP 81 28.024 20.298 -37.071 563 HE1 TRP 81 HE1 TRP 81 28.049 17.860 -37.879 564 HE3 TRP 81 HE3 TRP 81 25.048 18.210 -33.473 565 HZ2 TRP 81 HZ2 TRP 81 26.959 15.376 -37.104 566 HZ3 TRP 81 HZ3 TRP 81 24.589 15.794 -33.581 567 HH2 TRP 81 HH2 TRP 81 25.525 14.408 -35.360 568 H CYS 82 H CYS 82 25.723 20.693 -31.626 569 HA CYS 82 HA CYS 82 26.585 17.974 -30.908 570 1HB CYS 82 1HB CYS 82 27.570 19.573 -29.330 571 2HB CYS 82 2HB CYS 82 25.982 20.247 -29.012 572 H SER 83 H SER 83 24.896 16.857 -29.499 573 HA SER 83 HA SER 83 22.246 17.541 -30.569 574 1HB SER 83 2HB SER 83 23.507 15.174 -30.726 575 2HB SER 83 1HB SER 83 21.751 15.317 -30.658 576 HG SER 83 HG SER 83 22.042 14.006 -29.018 577 H THR 84 H THR 84 20.434 17.658 -29.273 578 HA THR 84 HA THR 84 20.931 17.817 -26.372 579 HB THR 84 HB THR 84 19.248 19.600 -26.237 580 HG1 THR 84 HG1 THR 84 18.104 20.180 -27.944 581 1HG2 THR 84 1HG2 THR 84 21.735 20.037 -26.677 582 2HG2 THR 84 2HG2 THR 84 21.247 20.415 -28.330 583 3HG2 THR 84 3HG2 THR 84 20.611 21.361 -26.984 584 H THR 85 H THR 85 18.967 16.608 -28.927 585 HA THR 85 HA THR 85 17.046 15.523 -26.974 586 HB THR 85 HB THR 85 16.682 16.213 -29.889 587 HG1 THR 85 HG1 THR 85 15.393 17.020 -27.477 588 1HG2 THR 85 1HG2 THR 85 15.241 14.254 -28.209 589 2HG2 THR 85 2HG2 THR 85 14.241 15.357 -29.155 590 3HG2 THR 85 3HG2 THR 85 15.424 14.329 -29.962 591 H SER 86 H SER 86 16.749 13.353 -26.866 592 HA SER 86 HA SER 86 18.692 11.574 -27.612 593 1HB SER 86 1HB SER 86 17.291 9.884 -26.851 594 2HB SER 86 2HB SER 86 16.596 11.299 -26.064 595 HG SER 86 HG SER 86 14.927 11.276 -27.458 596 H ASN 87 H ASN 87 15.832 12.528 -29.447 597 HA ASN 87 HA ASN 87 16.822 10.924 -31.710 598 1HB ASN 87 1HB ASN 87 14.269 11.025 -30.544 599 2HB ASN 87 2HB ASN 87 14.124 11.893 -32.069 600 2HD2 ASN 87 1HD2 ASN 87 15.486 10.678 -33.862 601 1HD2 ASN 87 2HD2 ASN 87 15.101 9.001 -34.007 602 H TYR 88 H TYR 88 18.317 12.774 -32.070 603 HA TYR 88 HA TYR 88 17.236 15.289 -32.910 604 1HB TYR 88 1HB TYR 88 19.399 15.554 -32.139 605 2HB TYR 88 2HB TYR 88 19.949 14.038 -32.842 606 HD1 TYR 88 HD1 TYR 88 20.553 13.923 -35.224 607 HD2 TYR 88 HD2 TYR 88 19.465 17.604 -33.391 608 HE1 TYR 88 HE1 TYR 88 21.520 15.147 -37.126 609 HE2 TYR 88 HE2 TYR 88 20.427 18.837 -35.288 610 HH TYR 88 HH TYR 88 22.026 17.143 -37.966 611 H GLU 89 H GLU 89 17.614 12.248 -34.366 612 HA GLU 89 HA GLU 89 17.944 13.136 -37.065 613 1HB GLU 89 1HB GLU 89 17.111 10.475 -35.906 614 2HB GLU 89 2HB GLU 89 17.374 10.758 -37.622 615 1HG GLU 89 1HG GLU 89 19.366 10.744 -35.392 616 2HG GLU 89 2HG GLU 89 19.361 9.806 -36.885 617 H GLN 90 H GLN 90 15.337 13.148 -34.949 618 HA GLN 90 HA GLN 90 13.460 13.345 -37.209 619 1HB GLN 90 2HB GLN 90 13.125 11.256 -35.902 620 2HB GLN 90 1HB GLN 90 11.723 12.317 -35.909 621 1HG GLN 90 1HG GLN 90 13.351 11.383 -33.693 622 2HG GLN 90 2HG GLN 90 13.098 13.127 -33.681 623 2HE2 GLN 90 1HE2 GLN 90 12.038 10.732 -32.102 624 1HE2 GLN 90 2HE2 GLN 90 10.332 11.002 -32.057 625 H ASP 91 H ASP 91 14.435 14.518 -34.056 626 HA ASP 91 HA ASP 91 12.335 16.512 -33.984 627 1HB ASP 91 1HB ASP 91 14.657 15.903 -32.157 628 2HB ASP 91 2HB ASP 91 13.580 17.273 -31.905 629 H GLN 92 H GLN 92 15.880 16.495 -34.262 630 HA GLN 92 HA GLN 92 17.198 17.872 -35.573 631 1HB GLN 92 1HB GLN 92 14.969 18.435 -36.782 632 2HB GLN 92 2HB GLN 92 14.986 19.888 -35.793 633 1HG GLN 92 1HG GLN 92 15.931 20.305 -37.987 634 2HG GLN 92 2HG GLN 92 17.142 20.516 -36.723 635 2HE2 GLN 92 1HE2 GLN 92 15.909 18.142 -39.036 636 1HE2 GLN 92 2HE2 GLN 92 17.432 17.386 -39.341 637 H LYS 93 H LYS 93 16.407 18.027 -32.626 638 HA LYS 93 HA LYS 93 17.010 20.792 -31.974 639 1HB LYS 93 2HB LYS 93 16.338 20.317 -29.829 640 2HB LYS 93 1HB LYS 93 16.960 18.674 -29.881 641 1HG LYS 93 1HG LYS 93 15.076 17.859 -30.963 642 2HG LYS 93 2HG LYS 93 14.424 19.017 -29.802 643 1HD LYS 93 1HD LYS 93 14.711 20.674 -31.847 644 2HD LYS 93 2HD LYS 93 14.579 19.175 -32.769 645 1HE LYS 93 1HE LYS 93 12.512 18.759 -31.216 646 2HE LYS 93 2HE LYS 93 12.569 20.510 -31.013 647 1HZ LYS 93 1HZ LYS 93 12.552 19.242 -33.686 648 2HZ LYS 93 2HZ LYS 93 11.122 19.622 -32.866 649 3HZ LYS 93 3HZ LYS 93 12.207 20.849 -33.287 650 H TYR 94 H TYR 94 19.085 21.315 -32.383 651 HA TYR 94 HA TYR 94 21.154 19.749 -31.008 652 1HB TYR 94 1HB TYR 94 22.632 19.869 -32.910 653 2HB TYR 94 2HB TYR 94 21.108 19.157 -33.432 654 HD1 TYR 94 HD1 TYR 94 19.565 20.428 -34.857 655 HD2 TYR 94 HD2 TYR 94 23.346 22.020 -33.731 656 HE1 TYR 94 HE1 TYR 94 19.372 22.121 -36.628 657 HE2 TYR 94 HE2 TYR 94 23.164 23.719 -35.499 658 HH TYR 94 HH TYR 94 21.370 23.578 -38.009 659 H SER 95 H SER 95 23.342 21.050 -31.281 660 HA SER 95 HA SER 95 22.885 23.925 -30.979 661 1HB SER 95 1HB SER 95 24.747 23.387 -28.995 662 2HB SER 95 2HB SER 95 23.043 23.759 -28.738 663 HG SER 95 HG SER 95 23.214 21.855 -27.765 664 H PHE 96 H PHE 96 25.377 24.750 -30.280 665 HA PHE 96 HA PHE 96 27.136 23.591 -32.339 666 1HB PHE 96 1HB PHE 96 26.302 26.409 -31.922 667 2HB PHE 96 2HB PHE 96 27.985 26.134 -32.355 668 HD1 PHE 96 HD1 PHE 96 27.661 23.771 -34.137 669 HD2 PHE 96 HD2 PHE 96 25.437 27.389 -33.855 670 HE1 PHE 96 HE1 PHE 96 27.019 23.553 -36.503 671 HE2 PHE 96 HE2 PHE 96 24.788 27.178 -36.219 672 HZ PHE 96 HZ PHE 96 25.576 25.258 -37.545 673 H CYS 97 H CYS 97 29.438 24.814 -31.982 674 HA CYS 97 HA CYS 97 30.097 24.924 -29.151 675 1HB CYS 97 1HB CYS 97 30.489 22.559 -30.667 676 2HB CYS 97 2HB CYS 97 32.076 23.266 -30.387 677 H THR 98 H THR 98 31.682 26.345 -28.735 678 HA THR 98 HA THR 98 32.751 27.914 -30.868 679 HB THR 98 HB THR 98 33.759 29.262 -29.169 680 HG1 THR 98 HG1 THR 98 33.731 28.531 -26.960 681 1HG2 THR 98 1HG2 THR 98 31.033 28.229 -28.447 682 2HG2 THR 98 2HG2 THR 98 31.794 29.552 -27.564 683 3HG2 THR 98 3HG2 THR 98 31.455 29.722 -29.285 684 H ASP 99 H ASP 99 34.544 26.484 -28.168 685 HA ASP 99 HA ASP 99 36.457 25.232 -28.099 686 1HB ASP 99 1HB ASP 99 35.354 24.537 -30.591 687 2HB ASP 99 2HB ASP 99 37.044 24.923 -30.908 688 H HIS 100 H HIS 100 36.506 27.351 -30.967 689 HA HIS 100 HA HIS 100 37.969 28.954 -31.646 690 1HB HIS 100 1HB HIS 100 38.124 29.098 -28.672 691 2HB HIS 100 2HB HIS 100 39.332 29.979 -29.602 692 HD1 HIS 100 HD1 HIS 100 35.600 29.602 -30.238 693 HD2 HIS 100 HD2 HIS 100 38.455 32.542 -29.544 694 HE1 HIS 100 HE1 HIS 100 34.383 31.789 -30.475 695 HE2 HIS 100 HE2 HIS 100 36.150 33.554 -30.140 696 H THR 101 H THR 101 40.013 27.983 -28.955 697 HA THR 101 HA THR 101 41.714 26.361 -30.651 698 HB THR 101 HB THR 101 42.572 28.577 -31.164 699 HG1 THR 101 HG1 THR 101 44.152 26.920 -29.493 700 1HG2 THR 101 1HG2 THR 101 42.069 29.036 -28.375 701 2HG2 THR 101 2HG2 THR 101 43.754 29.402 -28.748 702 3HG2 THR 101 3HG2 THR 101 42.461 30.200 -29.642 No H/Q in entry = 702 Start of MODEL 41 1 H1 TYR 1 H1 TYR 1 50.860 9.544 -43.715 2 H2 TYR 1 H2 TYR 1 52.007 8.337 -44.022 3 H3 TYR 1 H3 TYR 1 50.609 8.436 -44.971 4 HA TYR 1 HA TYR 1 50.227 6.664 -43.516 5 1HB TYR 1 1HB TYR 1 50.417 7.544 -40.932 6 2HB TYR 1 2HB TYR 1 51.674 6.646 -41.776 7 HD1 TYR 1 HD1 TYR 1 50.575 10.026 -40.767 8 HD2 TYR 1 HD2 TYR 1 53.748 7.666 -42.335 9 HE1 TYR 1 HE1 TYR 1 52.124 11.908 -40.444 10 HE2 TYR 1 HE2 TYR 1 55.307 9.540 -42.016 11 HH TYR 1 HH TYR 1 54.413 12.397 -40.261 12 H GLY 2 H GLY 2 48.093 6.684 -43.902 13 1HA GLY 2 1HA GLY 2 46.450 8.917 -43.027 14 2HA GLY 2 2HA GLY 2 45.919 7.544 -43.985 15 H HIS 3 H HIS 3 46.620 5.417 -42.410 16 HA HIS 3 HA HIS 3 44.505 5.214 -40.628 17 1HB HIS 3 1HB HIS 3 46.961 3.654 -41.175 18 2HB HIS 3 2HB HIS 3 46.212 3.381 -39.605 19 HD1 HIS 3 HD1 HIS 3 45.478 3.095 -43.292 20 HD2 HIS 3 HD2 HIS 3 43.921 1.855 -39.644 21 HE1 HIS 3 HE1 HIS 3 43.674 1.437 -43.860 22 HE2 HIS 3 HE2 HIS 3 42.818 0.624 -41.634 23 H CYS 4 H CYS 4 44.373 5.222 -38.350 24 HA CYS 4 HA CYS 4 46.470 6.834 -37.046 25 1HB CYS 4 1HB CYS 4 44.364 7.229 -35.417 26 2HB CYS 4 2HB CYS 4 44.717 8.256 -36.798 27 H VAL 5 H VAL 5 46.769 6.440 -34.728 28 HA VAL 5 HA VAL 5 45.805 3.928 -33.665 29 HB VAL 5 HB VAL 5 47.903 2.852 -33.382 30 1HG1 VAL 5 1HG1 VAL 5 46.805 2.694 -35.631 31 2HG1 VAL 5 2HG1 VAL 5 47.947 3.911 -36.201 32 3HG1 VAL 5 3HG1 VAL 5 48.534 2.351 -35.623 33 1HG2 VAL 5 1HG2 VAL 5 48.950 5.477 -33.600 34 2HG2 VAL 5 2HG2 VAL 5 49.790 3.995 -33.142 35 3HG2 VAL 5 3HG2 VAL 5 49.723 4.482 -34.835 36 H THR 6 H THR 6 47.374 3.520 -31.559 37 HA THR 6 HA THR 6 47.463 6.099 -30.136 38 HB THR 6 HB THR 6 46.400 5.256 -28.274 39 HG1 THR 6 HG1 THR 6 46.817 3.310 -27.532 40 1HG2 THR 6 1HG2 THR 6 45.143 4.794 -30.691 41 2HG2 THR 6 2HG2 THR 6 44.938 3.273 -29.824 42 3HG2 THR 6 3HG2 THR 6 44.375 4.781 -29.103 43 H ASP 7 H ASP 7 49.713 5.210 -31.350 44 HA ASP 7 HA ASP 7 51.940 5.140 -30.746 45 1HB ASP 7 1HB ASP 7 51.048 5.704 -28.373 46 2HB ASP 7 2HB ASP 7 51.239 3.980 -28.066 47 H SER 8 H SER 8 49.958 2.485 -29.483 48 HA SER 8 HA SER 8 50.804 0.554 -31.269 49 1HB SER 8 1HB SER 8 53.049 0.843 -30.314 50 2HB SER 8 2HB SER 8 52.418 0.487 -28.707 51 HG SER 8 HG SER 8 51.649 -1.544 -29.955 52 H GLY 9 H GLY 9 48.389 0.805 -30.532 53 1HA GLY 9 1HA GLY 9 47.846 -1.532 -28.883 54 2HA GLY 9 2HA GLY 9 47.202 -0.011 -28.289 55 H VAL 10 H VAL 10 46.310 1.230 -30.501 56 HA VAL 10 HA VAL 10 44.343 -0.657 -31.626 57 HB VAL 10 HB VAL 10 43.732 2.257 -31.277 58 1HG1 VAL 10 1HG1 VAL 10 42.381 0.002 -32.315 59 2HG1 VAL 10 2HG1 VAL 10 41.548 0.479 -30.835 60 3HG1 VAL 10 3HG1 VAL 10 41.777 1.649 -32.134 61 1HG2 VAL 10 1HG2 VAL 10 43.409 0.105 -29.188 62 2HG2 VAL 10 2HG2 VAL 10 44.393 1.565 -29.069 63 3HG2 VAL 10 3HG2 VAL 10 42.635 1.689 -29.122 64 H VAL 11 H VAL 11 43.798 -0.456 -33.776 65 HA VAL 11 HA VAL 11 45.529 1.332 -35.356 66 HB VAL 11 HB VAL 11 44.290 -1.312 -36.135 67 1HG1 VAL 11 1HG1 VAL 11 45.752 0.766 -37.721 68 2HG1 VAL 11 2HG1 VAL 11 45.816 -0.936 -38.181 69 3HG1 VAL 11 3HG1 VAL 11 44.265 -0.097 -38.116 70 1HG2 VAL 11 1HG2 VAL 11 46.845 -0.550 -34.986 71 2HG2 VAL 11 2HG2 VAL 11 46.121 -2.147 -35.170 72 3HG2 VAL 11 3HG2 VAL 11 47.028 -1.430 -36.503 73 H TYR 12 H TYR 12 44.050 3.068 -35.203 74 HA TYR 12 HA TYR 12 41.372 2.766 -36.247 75 1HB TYR 12 1HB TYR 12 42.935 5.198 -35.360 76 2HB TYR 12 2HB TYR 12 41.257 5.243 -35.889 77 HD1 TYR 12 HD1 TYR 12 39.595 3.756 -34.574 78 HD2 TYR 12 HD2 TYR 12 43.444 4.847 -33.131 79 HE1 TYR 12 HE1 TYR 12 38.864 3.261 -32.278 80 HE2 TYR 12 HE2 TYR 12 42.727 4.355 -30.828 81 HH TYR 12 HH TYR 12 40.705 4.162 -29.530 82 H SER 13 H SER 13 40.818 4.827 -37.769 83 HA SER 13 HA SER 13 42.787 4.962 -39.928 84 1HB SER 13 1HB SER 13 40.524 3.324 -40.065 85 2HB SER 13 2HB SER 13 40.104 4.757 -41.000 86 HG SER 13 HG SER 13 41.888 4.422 -42.288 87 H VAL 14 H VAL 14 42.703 6.816 -41.170 88 HA VAL 14 HA VAL 14 42.197 9.207 -40.094 89 HB VAL 14 HB VAL 14 43.269 9.112 -42.219 90 1HG1 VAL 14 1HG1 VAL 14 41.763 7.162 -42.974 91 2HG1 VAL 14 2HG1 VAL 14 40.703 8.423 -43.602 92 3HG1 VAL 14 3HG1 VAL 14 42.358 8.289 -44.194 93 1HG2 VAL 14 1HG2 VAL 14 41.083 10.874 -41.702 94 2HG2 VAL 14 2HG2 VAL 14 42.587 11.197 -42.564 95 3HG2 VAL 14 3HG2 VAL 14 41.186 10.576 -43.437 96 H GLY 15 H GLY 15 40.350 9.225 -38.786 97 1HA GLY 15 1HA GLY 15 38.242 10.432 -38.783 98 2HA GLY 15 2HA GLY 15 37.842 9.619 -40.284 99 H MET 16 H MET 16 39.258 7.995 -37.509 100 HA MET 16 HA MET 16 36.791 6.417 -37.285 101 1HB MET 16 1HB MET 16 39.672 5.837 -36.723 102 2HB MET 16 2HB MET 16 38.430 4.930 -35.870 103 1HG MET 16 1HG MET 16 37.494 4.634 -38.333 104 2HG MET 16 2HG MET 16 39.194 4.879 -38.730 105 1HE MET 16 1HE MET 16 36.713 3.249 -36.579 106 2HE MET 16 2HE MET 16 36.764 1.703 -37.426 107 3HE MET 16 3HE MET 16 37.513 1.863 -35.838 108 H GLN 17 H GLN 17 36.653 8.890 -36.164 109 HA GLN 17 HA GLN 17 37.366 9.627 -33.747 110 1HB GLN 17 1HB GLN 17 34.693 9.569 -35.028 111 2HB GLN 17 2HB GLN 17 34.732 9.934 -33.309 112 1HG GLN 17 1HG GLN 17 36.369 11.743 -33.800 113 2HG GLN 17 2HG GLN 17 36.120 11.430 -35.517 114 2HE2 GLN 17 1HE2 GLN 17 34.068 11.815 -32.641 115 1HE2 GLN 17 2HE2 GLN 17 32.976 12.943 -33.363 116 H TRP 18 H TRP 18 37.734 8.690 -31.863 117 HA TRP 18 HA TRP 18 35.863 6.648 -30.898 118 1HB TRP 18 2HB TRP 18 37.928 5.588 -31.901 119 2HB TRP 18 1HB TRP 18 37.596 5.161 -30.227 120 HD1 TRP 18 HD1 TRP 18 39.274 6.098 -28.357 121 HE1 TRP 18 HE1 TRP 18 41.692 6.960 -28.515 122 HE3 TRP 18 HE3 TRP 18 39.530 6.889 -33.404 123 HZ2 TRP 18 HZ2 TRP 18 43.474 7.855 -30.512 124 HZ3 TRP 18 HZ3 TRP 18 41.625 7.749 -34.358 125 HH2 TRP 18 HH2 TRP 18 43.557 8.221 -32.940 126 H LEU 19 H LEU 19 36.756 6.075 -28.479 127 HA LEU 19 HA LEU 19 37.452 8.572 -27.122 128 1HB LEU 19 1HB LEU 19 35.022 8.534 -27.171 129 2HB LEU 19 2HB LEU 19 35.009 6.921 -26.483 130 HG LEU 19 HG LEU 19 36.441 8.337 -24.614 131 1HD1 LEU 19 1HD1 LEU 19 34.856 10.206 -26.156 132 2HD1 LEU 19 2HD1 LEU 19 34.409 10.199 -24.451 133 3HD1 LEU 19 3HD1 LEU 19 36.079 10.507 -24.925 134 1HD2 LEU 19 1HD2 LEU 19 34.150 6.828 -24.728 135 2HD2 LEU 19 2HD2 LEU 19 34.851 7.532 -23.271 136 3HD2 LEU 19 3HD2 LEU 19 33.570 8.383 -24.133 137 H LYS 20 H LYS 20 38.264 8.315 -25.016 138 HA LYS 20 HA LYS 20 38.882 5.553 -24.216 139 1HB LYS 20 2HB LYS 20 40.858 6.494 -25.317 140 2HB LYS 20 1HB LYS 20 41.151 6.228 -23.603 141 1HG LYS 20 1HG LYS 20 40.612 8.849 -24.975 142 2HG LYS 20 2HG LYS 20 40.674 8.647 -23.223 143 1HD LYS 20 1HD LYS 20 42.952 7.645 -24.861 144 2HD LYS 20 2HD LYS 20 42.804 9.383 -24.593 145 1HE LYS 20 1HE LYS 20 42.649 8.902 -22.140 146 2HE LYS 20 2HE LYS 20 43.029 7.219 -22.507 147 1HZ LYS 20 1HZ LYS 20 45.021 8.415 -23.762 148 2HZ LYS 20 2HZ LYS 20 44.755 9.565 -22.550 149 3HZ LYS 20 3HZ LYS 20 45.112 7.964 -22.134 150 H THR 21 H THR 21 39.830 5.569 -21.898 151 HA THR 21 HA THR 21 38.562 7.640 -20.251 152 HB THR 21 HB THR 21 38.363 4.911 -19.151 153 HG1 THR 21 HG1 THR 21 36.854 5.749 -21.414 154 1HG2 THR 21 1HG2 THR 21 36.881 7.475 -19.098 155 2HG2 THR 21 2HG2 THR 21 35.931 6.005 -18.880 156 3HG2 THR 21 3HG2 THR 21 37.267 6.360 -17.787 157 H GLN 22 H GLN 22 39.352 7.674 -18.026 158 HA GLN 22 HA GLN 22 42.111 6.659 -17.848 159 1HB GLN 22 1HB GLN 22 40.841 9.170 -16.773 160 2HB GLN 22 2HB GLN 22 42.371 8.564 -16.152 161 1HG GLN 22 1HG GLN 22 41.923 9.118 -19.067 162 2HG GLN 22 2HG GLN 22 42.480 10.351 -17.939 163 2HE2 GLN 22 1HE2 GLN 22 44.586 10.519 -17.608 164 1HE2 GLN 22 2HE2 GLN 22 45.774 9.344 -18.049 165 H GLY 23 H GLY 23 38.993 6.552 -16.480 166 1HA GLY 23 1HA GLY 23 38.837 4.532 -14.949 167 2HA GLY 23 2HA GLY 23 40.059 5.360 -13.998 168 H ASN 24 H ASN 24 39.037 7.984 -14.244 169 HA ASN 24 HA ASN 24 36.401 7.785 -12.962 170 1HB ASN 24 1HB ASN 24 38.208 7.985 -11.242 171 2HB ASN 24 2HB ASN 24 38.646 9.538 -11.948 172 2HD2 ASN 24 1HD2 ASN 24 35.784 7.819 -10.745 173 1HD2 ASN 24 2HD2 ASN 24 35.095 9.182 -9.937 174 H LYS 25 H LYS 25 38.027 8.958 -15.490 175 HA LYS 25 HA LYS 25 36.321 11.349 -15.656 176 1HB LYS 25 2HB LYS 25 38.040 12.628 -16.655 177 2HB LYS 25 1HB LYS 25 39.052 11.214 -16.915 178 1HG LYS 25 1HG LYS 25 38.742 12.909 -14.538 179 2HG LYS 25 2HG LYS 25 38.821 11.175 -14.222 180 1HD LYS 25 1HD LYS 25 41.045 12.189 -14.157 181 2HD LYS 25 2HD LYS 25 40.909 11.032 -15.482 182 1HE LYS 25 1HE LYS 25 41.489 12.607 -16.934 183 2HE LYS 25 2HE LYS 25 40.108 13.585 -16.441 184 1HZ LYS 25 1HZ LYS 25 42.044 13.852 -14.466 185 2HZ LYS 25 2HZ LYS 25 42.845 14.028 -15.944 186 3HZ LYS 25 3HZ LYS 25 41.528 15.023 -15.573 187 H GLN 26 H GLN 26 36.987 12.066 -18.269 188 HA GLN 26 HA GLN 26 36.579 9.741 -19.955 189 1HB GLN 26 1HB GLN 26 34.323 10.809 -19.007 190 2HB GLN 26 2HB GLN 26 34.580 11.909 -20.355 191 1HG GLN 26 1HG GLN 26 33.762 10.420 -21.765 192 2HG GLN 26 2HG GLN 26 34.970 9.238 -21.263 193 2HE2 GLN 26 1HE2 GLN 26 32.103 10.718 -19.775 194 1HE2 GLN 26 2HE2 GLN 26 31.374 9.227 -19.293 195 H MET 27 H MET 27 37.809 9.993 -21.682 196 HA MET 27 HA MET 27 38.210 12.701 -22.763 197 1HB MET 27 1HB MET 27 40.186 11.813 -21.448 198 2HB MET 27 2HB MET 27 40.351 10.575 -22.684 199 1HG MET 27 1HG MET 27 40.189 13.252 -23.796 200 2HG MET 27 2HG MET 27 41.541 13.051 -22.683 201 1HE MET 27 1HE MET 27 43.371 11.903 -22.859 202 2HE MET 27 2HE MET 27 43.929 10.792 -24.110 203 3HE MET 27 3HE MET 27 43.993 12.533 -24.384 204 H LEU 28 H LEU 28 37.885 12.892 -24.905 205 HA LEU 28 HA LEU 28 37.353 10.429 -26.415 206 1HB LEU 28 1HB LEU 28 35.498 11.945 -26.402 207 2HB LEU 28 2HB LEU 28 36.522 13.289 -26.868 208 HG LEU 28 HG LEU 28 36.688 11.190 -28.834 209 1HD1 LEU 28 1HD1 LEU 28 34.387 10.750 -27.868 210 2HD1 LEU 28 2HD1 LEU 28 33.929 12.327 -28.509 211 3HD1 LEU 28 3HD1 LEU 28 34.473 11.053 -29.602 212 1HD2 LEU 28 1HD2 LEU 28 37.129 13.754 -28.902 213 2HD2 LEU 28 2HD2 LEU 28 36.465 12.943 -30.320 214 3HD2 LEU 28 3HD2 LEU 28 35.403 13.855 -29.248 215 H CYS 29 H CYS 29 38.713 9.775 -27.952 216 HA CYS 29 HA CYS 29 40.771 11.664 -28.881 217 1HB CYS 29 1HB CYS 29 40.791 8.767 -28.254 218 2HB CYS 29 2HB CYS 29 41.756 9.269 -29.638 219 H THR 30 H THR 30 41.219 11.881 -31.060 220 HA THR 30 HA THR 30 39.716 10.317 -33.001 221 HB THR 30 HB THR 30 39.433 13.326 -32.855 222 HG1 THR 30 HG1 THR 30 37.235 12.823 -32.484 223 1HG2 THR 30 1HG2 THR 30 39.623 12.485 -35.170 224 2HG2 THR 30 2HG2 THR 30 38.285 11.377 -34.862 225 3HG2 THR 30 3HG2 THR 30 38.015 13.120 -34.822 226 H CYS 31 H CYS 31 40.606 10.326 -35.063 227 HA CYS 31 HA CYS 31 43.237 11.627 -35.252 228 1HB CYS 31 1HB CYS 31 43.707 9.884 -37.009 229 2HB CYS 31 2HB CYS 31 43.498 9.258 -35.381 230 H LEU 32 H LEU 32 43.003 13.484 -36.294 231 HA LEU 32 HA LEU 32 41.029 13.859 -38.349 232 1HB LEU 32 1HB LEU 32 42.454 16.097 -38.543 233 2HB LEU 32 2HB LEU 32 41.266 15.841 -37.279 234 HG LEU 32 HG LEU 32 44.024 14.974 -36.653 235 1HD1 LEU 32 1HD1 LEU 32 43.293 17.795 -37.268 236 2HD1 LEU 32 2HD1 LEU 32 44.411 17.454 -35.947 237 3HD1 LEU 32 3HD1 LEU 32 44.792 16.920 -37.584 238 1HD2 LEU 32 1HD2 LEU 32 41.848 15.047 -35.190 239 2HD2 LEU 32 2HD2 LEU 32 43.414 15.459 -34.493 240 3HD2 LEU 32 3HD2 LEU 32 42.302 16.738 -34.977 241 H GLY 33 H GLY 33 44.203 15.227 -38.836 242 1HA GLY 33 1HA GLY 33 44.693 13.384 -41.071 243 2HA GLY 33 2HA GLY 33 44.624 15.109 -41.393 244 H ASN 34 H ASN 34 45.950 16.107 -39.189 245 HA ASN 34 HA ASN 34 48.669 15.611 -39.931 246 1HB ASN 34 1HB ASN 34 49.229 17.423 -38.547 247 2HB ASN 34 2HB ASN 34 47.619 17.830 -39.130 248 2HD2 ASN 34 1HD2 ASN 34 49.416 16.518 -36.415 249 1HD2 ASN 34 2HD2 ASN 34 48.255 16.934 -35.206 250 H GLY 35 H GLY 35 46.532 14.558 -37.403 251 1HA GLY 35 1HA GLY 35 48.189 12.401 -36.661 252 2HA GLY 35 2HA GLY 35 48.380 13.695 -35.489 253 H VAL 36 H VAL 36 47.261 13.193 -33.730 254 HA VAL 36 HA VAL 36 44.443 12.450 -34.054 255 HB VAL 36 HB VAL 36 46.542 10.887 -32.633 256 1HG1 VAL 36 1HG1 VAL 36 43.856 11.477 -31.488 257 2HG1 VAL 36 2HG1 VAL 36 44.506 9.845 -31.330 258 3HG1 VAL 36 3HG1 VAL 36 45.398 11.217 -30.672 259 1HG2 VAL 36 1HG2 VAL 36 45.247 10.329 -34.802 260 2HG2 VAL 36 2HG2 VAL 36 45.515 9.065 -33.600 261 3HG2 VAL 36 3HG2 VAL 36 43.950 9.872 -33.698 262 H SER 37 H SER 37 43.216 13.848 -33.019 263 HA SER 37 HA SER 37 44.322 15.254 -30.678 264 1HB SER 37 1HB SER 37 43.789 16.705 -32.627 265 2HB SER 37 2HB SER 37 42.110 16.175 -32.532 266 HG SER 37 HG SER 37 42.044 17.069 -30.417 267 H CYS 38 H CYS 38 43.274 15.134 -28.770 268 HA CYS 38 HA CYS 38 40.645 13.809 -28.747 269 1HB CYS 38 1HB CYS 38 42.608 13.472 -26.504 270 2HB CYS 38 2HB CYS 38 41.245 12.452 -26.943 271 H GLN 39 H GLN 39 39.321 14.267 -26.860 272 HA GLN 39 HA GLN 39 39.763 17.006 -25.884 273 1HB GLN 39 1HB GLN 39 37.597 16.029 -27.192 274 2HB GLN 39 2HB GLN 39 37.111 15.748 -25.526 275 1HG GLN 39 1HG GLN 39 36.779 17.920 -25.124 276 2HG GLN 39 2HG GLN 39 38.216 18.410 -26.020 277 2HE2 GLN 39 1HE2 GLN 39 35.413 16.557 -27.107 278 1HE2 GLN 39 2HE2 GLN 39 34.919 17.679 -28.325 279 H GLU 40 H GLU 40 40.991 16.623 -24.072 280 HA GLU 40 HA GLU 40 40.571 14.569 -22.211 281 1HB GLU 40 1HB GLU 40 41.882 16.096 -20.651 282 2HB GLU 40 2HB GLU 40 42.672 15.636 -22.151 283 1HG GLU 40 1HG GLU 40 41.179 18.065 -22.508 284 2HG GLU 40 2HG GLU 40 42.288 18.208 -21.145 285 H THR 41 H THR 41 39.141 14.287 -20.643 286 HA THR 41 HA THR 41 37.720 14.821 -18.899 287 HB THR 41 HB THR 41 37.618 17.666 -19.900 288 HG1 THR 41 HG1 THR 41 39.159 17.772 -17.916 289 1HG2 THR 41 1HG2 THR 41 36.668 16.207 -17.491 290 2HG2 THR 41 2HG2 THR 41 37.263 17.853 -17.273 291 3HG2 THR 41 3HG2 THR 41 35.921 17.539 -18.374 292 H ALA 42 H ALA 42 36.992 16.610 -21.902 293 HA ALA 42 HA ALA 42 35.173 16.555 -23.274 294 1HB ALA 42 2HB ALA 42 34.337 14.110 -21.716 295 2HB ALA 42 1HB ALA 42 35.446 14.098 -23.089 296 3HB ALA 42 3HB ALA 42 33.768 14.595 -23.314 297 H VAL 43 H VAL 43 32.526 15.403 -22.145 298 HA VAL 43 HA VAL 43 30.626 16.350 -21.314 299 HB VAL 43 HB VAL 43 30.665 16.945 -18.997 300 1HG1 VAL 43 1HG1 VAL 43 32.372 14.694 -19.897 301 2HG1 VAL 43 2HG1 VAL 43 32.374 15.084 -18.176 302 3HG1 VAL 43 3HG1 VAL 43 30.861 14.679 -18.987 303 1HG2 VAL 43 1HG2 VAL 43 32.696 18.469 -19.289 304 2HG2 VAL 43 2HG2 VAL 43 32.559 17.584 -17.769 305 3HG2 VAL 43 3HG2 VAL 43 33.667 17.021 -19.020 306 H THR 44 H THR 44 29.891 18.515 -19.989 307 HA THR 44 HA THR 44 31.153 20.941 -20.452 308 HB THR 44 HB THR 44 31.064 20.746 -22.782 309 HG1 THR 44 HG1 THR 44 29.935 22.517 -23.192 310 1HG2 THR 44 1HG2 THR 44 29.567 18.741 -22.771 311 2HG2 THR 44 2HG2 THR 44 28.192 19.834 -22.617 312 3HG2 THR 44 3HG2 THR 44 29.212 19.899 -24.054 313 H GLN 45 H GLN 45 29.376 22.795 -20.682 314 HA GLN 45 HA GLN 45 27.385 22.186 -18.626 315 1HB GLN 45 2HB GLN 45 27.287 24.507 -18.180 316 2HB GLN 45 1HB GLN 45 28.014 24.918 -19.726 317 1HG GLN 45 1HG GLN 45 30.135 23.947 -18.973 318 2HG GLN 45 2HG GLN 45 29.594 25.273 -17.944 319 2HE2 GLN 45 1HE2 GLN 45 27.901 24.238 -16.232 320 1HE2 GLN 45 2HE2 GLN 45 28.607 22.967 -15.300 321 H THR 46 H THR 46 25.261 23.428 -18.863 322 HA THR 46 HA THR 46 24.360 23.650 -21.633 323 HB THR 46 HB THR 46 22.230 22.355 -20.864 324 HG1 THR 46 HG1 THR 46 22.745 20.715 -19.336 325 1HG2 THR 46 1HG2 THR 46 24.710 21.534 -22.086 326 2HG2 THR 46 2HG2 THR 46 23.965 20.187 -21.223 327 3HG2 THR 46 3HG2 THR 46 23.059 21.046 -22.469 328 H TYR 47 H TYR 47 22.481 24.911 -21.906 329 HA TYR 47 HA TYR 47 21.322 26.163 -19.539 330 1HB TYR 47 2HB TYR 47 23.255 27.578 -20.243 331 2HB TYR 47 1HB TYR 47 21.707 28.413 -20.318 332 HD1 TYR 47 HD1 TYR 47 24.362 26.842 -22.341 333 HD2 TYR 47 HD2 TYR 47 20.833 29.217 -22.389 334 HE1 TYR 47 HE1 TYR 47 24.795 27.428 -24.689 335 HE2 TYR 47 HE2 TYR 47 21.256 29.809 -24.737 336 HH TYR 47 HH TYR 47 22.701 28.481 -26.737 337 H GLY 48 H GLY 48 19.182 26.423 -19.750 338 1HA GLY 48 1HA GLY 48 17.094 26.202 -20.703 339 2HA GLY 48 2HA GLY 48 17.735 27.348 -21.869 340 H GLY 49 H GLY 49 17.708 26.725 -23.922 341 1HA GLY 49 1HA GLY 49 17.898 25.350 -25.772 342 2HA GLY 49 2HA GLY 49 18.358 24.037 -24.702 343 H ASN 50 H ASN 50 16.986 22.403 -24.608 344 HA ASN 50 HA ASN 50 14.132 22.938 -25.105 345 1HB ASN 50 1HB ASN 50 15.877 21.386 -26.680 346 2HB ASN 50 2HB ASN 50 14.865 20.239 -25.807 347 2HD2 ASN 50 1HD2 ASN 50 13.092 19.690 -26.823 348 1HD2 ASN 50 2HD2 ASN 50 12.206 20.666 -27.939 349 H SER 51 H SER 51 16.350 21.952 -22.879 350 HA SER 51 HA SER 51 14.299 20.503 -21.365 351 1HB SER 51 1HB SER 51 16.574 19.279 -22.471 352 2HB SER 51 2HB SER 51 16.921 19.460 -20.752 353 HG SER 51 HG SER 51 15.501 17.592 -21.808 354 H ASN 52 H ASN 52 15.677 23.240 -21.396 355 HA ASN 52 HA ASN 52 16.188 24.815 -19.839 356 1HB ASN 52 1HB ASN 52 14.407 23.955 -18.474 357 2HB ASN 52 2HB ASN 52 15.399 22.604 -17.938 358 2HD2 ASN 52 1HD2 ASN 52 14.930 26.063 -17.741 359 1HD2 ASN 52 2HD2 ASN 52 15.794 26.290 -16.262 360 H GLY 53 H GLY 53 18.004 22.297 -20.585 361 1HA GLY 53 1HA GLY 53 20.374 22.360 -20.497 362 2HA GLY 53 2HA GLY 53 20.268 23.299 -19.016 363 H GLU 54 H GLU 54 18.673 20.240 -19.835 364 HA GLU 54 HA GLU 54 19.499 19.095 -17.329 365 1HB GLU 54 1HB GLU 54 17.757 18.256 -19.596 366 2HB GLU 54 2HB GLU 54 18.388 17.006 -18.535 367 1HG GLU 54 2HG GLU 54 16.332 17.525 -17.611 368 2HG GLU 54 1HG GLU 54 16.523 19.252 -17.901 369 HA PRO 55 HA PRO 55 23.089 16.810 -18.408 370 1HB PRO 55 1HB PRO 55 22.452 14.229 -17.675 371 2HB PRO 55 2HB PRO 55 22.973 15.489 -16.552 372 1HG PRO 55 1HG PRO 55 20.210 14.540 -17.187 373 2HG PRO 55 2HG PRO 55 20.913 14.977 -15.618 374 1HD PRO 55 1HD PRO 55 19.285 16.650 -16.939 375 2HD PRO 55 2HD PRO 55 20.670 17.251 -16.002 376 H CYS 56 H CYS 56 23.568 16.560 -20.496 377 HA CYS 56 HA CYS 56 21.933 15.622 -22.509 378 1HB CYS 56 1HB CYS 56 24.927 15.273 -22.520 379 2HB CYS 56 2HB CYS 56 23.861 15.523 -23.899 380 H VAL 57 H VAL 57 23.153 13.635 -23.922 381 HA VAL 57 HA VAL 57 23.343 11.292 -22.197 382 HB VAL 57 HB VAL 57 20.917 11.601 -22.755 383 1HG1 VAL 57 1HG1 VAL 57 22.033 11.797 -25.420 384 2HG1 VAL 57 2HG1 VAL 57 20.768 10.572 -25.325 385 3HG1 VAL 57 3HG1 VAL 57 20.429 12.231 -24.833 386 1HG2 VAL 57 1HG2 VAL 57 22.449 9.161 -23.584 387 2HG2 VAL 57 2HG2 VAL 57 21.483 9.430 -22.132 388 3HG2 VAL 57 3HG2 VAL 57 20.689 9.207 -23.691 389 H LEU 58 H LEU 58 25.485 12.172 -23.435 390 HA LEU 58 HA LEU 58 25.699 10.692 -25.964 391 1HB LEU 58 1HB LEU 58 28.075 12.056 -25.672 392 2HB LEU 58 2HB LEU 58 26.720 12.540 -26.670 393 HG LEU 58 HG LEU 58 27.505 14.400 -25.324 394 1HD1 LEU 58 1HD1 LEU 58 24.904 13.601 -25.608 395 2HD1 LEU 58 2HD1 LEU 58 25.024 13.919 -23.877 396 3HD1 LEU 58 3HD1 LEU 58 25.439 15.181 -25.036 397 1HD2 LEU 58 1HD2 LEU 58 27.383 12.393 -23.177 398 2HD2 LEU 58 2HD2 LEU 58 28.441 13.792 -23.371 399 3HD2 LEU 58 3HD2 LEU 58 26.804 14.003 -22.747 400 HA PRO 59 HA PRO 59 28.059 10.735 -27.056 401 1HB PRO 59 1HB PRO 59 28.962 8.506 -28.309 402 2HB PRO 59 2HB PRO 59 30.018 9.579 -27.383 403 1HG PRO 59 2HG PRO 59 30.426 7.577 -26.280 404 2HG PRO 59 1HG PRO 59 28.785 6.974 -26.579 405 1HD PRO 59 1HD PRO 59 28.462 7.639 -24.403 406 2HD PRO 59 2HD PRO 59 29.768 8.838 -24.474 407 H PHE 60 H PHE 60 26.379 10.926 -28.385 408 HA PHE 60 HA PHE 60 24.489 8.679 -28.601 409 1HB PHE 60 1HB PHE 60 22.896 10.516 -29.414 410 2HB PHE 60 2HB PHE 60 23.318 10.522 -27.705 411 HD1 PHE 60 HD1 PHE 60 24.610 11.939 -30.908 412 HD2 PHE 60 HD2 PHE 60 23.809 12.555 -26.775 413 HE1 PHE 60 HE1 PHE 60 25.365 14.270 -31.114 414 HE2 PHE 60 HE2 PHE 60 24.564 14.888 -26.972 415 HZ PHE 60 HZ PHE 60 25.343 15.749 -29.144 416 H THR 61 H THR 61 23.150 9.028 -30.799 417 HA THR 61 HA THR 61 25.153 9.295 -32.946 418 HB THR 61 HB THR 61 22.809 7.562 -33.456 419 HG1 THR 61 HG1 THR 61 23.932 5.802 -32.353 420 1HG2 THR 61 1HG2 THR 61 24.572 7.890 -35.119 421 2HG2 THR 61 2HG2 THR 61 25.772 7.279 -33.980 422 3HG2 THR 61 3HG2 THR 61 24.511 6.207 -34.593 423 H TYR 62 H TYR 62 24.720 10.811 -34.401 424 HA TYR 62 HA TYR 62 21.931 11.459 -35.010 425 1HB TYR 62 1HB TYR 62 22.459 13.155 -33.426 426 2HB TYR 62 2HB TYR 62 24.043 13.431 -34.141 427 HD1 TYR 62 HD1 TYR 62 20.438 13.535 -35.136 428 HD2 TYR 62 HD2 TYR 62 24.294 15.302 -35.471 429 HE1 TYR 62 HE1 TYR 62 19.489 15.328 -36.524 430 HE2 TYR 62 HE2 TYR 62 23.355 17.100 -36.860 431 HH TYR 62 HH TYR 62 20.414 16.947 -38.327 432 H ASN 63 H ASN 63 21.551 11.775 -37.109 433 HA ASN 63 HA ASN 63 21.859 11.909 -39.338 434 1HB ASN 63 1HB ASN 63 23.272 13.519 -40.180 435 2HB ASN 63 2HB ASN 63 23.001 14.053 -38.529 436 2HD2 ASN 63 1HD2 ASN 63 24.890 15.280 -38.971 437 1HD2 ASN 63 2HD2 ASN 63 26.422 14.553 -38.727 438 H GLY 64 H GLY 64 23.400 9.828 -37.541 439 1HA GLY 64 1HA GLY 64 24.027 7.726 -38.576 440 2HA GLY 64 2HA GLY 64 24.793 8.648 -39.858 441 H ARG 65 H ARG 65 25.825 10.437 -37.501 442 HA ARG 65 HA ARG 65 28.183 8.752 -37.029 443 1HB ARG 65 2HB ARG 65 28.508 10.945 -38.177 444 2HB ARG 65 1HB ARG 65 29.451 10.755 -36.707 445 1HG ARG 65 1HG ARG 65 26.802 12.120 -36.593 446 2HG ARG 65 2HG ARG 65 28.207 12.302 -35.545 447 1HD ARG 65 1HD ARG 65 27.804 14.239 -37.064 448 2HD ARG 65 2HD ARG 65 29.399 13.506 -37.227 449 HE ARG 65 HE ARG 65 27.647 12.326 -39.072 450 1HH1 ARG 65 1HH1 ARG 65 29.263 15.349 -38.466 451 2HH1 ARG 65 2HH1 ARG 65 29.332 15.797 -40.138 452 1HH2 ARG 65 1HH2 ARG 65 27.731 12.904 -41.277 453 2HH2 ARG 65 2HH2 ARG 65 28.461 14.406 -41.737 454 H THR 66 H THR 66 29.253 10.267 -34.902 455 HA THR 66 HA THR 66 27.295 10.009 -32.744 456 HB THR 66 HB THR 66 30.012 8.721 -32.511 457 HG1 THR 66 HG1 THR 66 28.987 7.429 -33.965 458 1HG2 THR 66 1HG2 THR 66 28.228 9.472 -30.580 459 2HG2 THR 66 2HG2 THR 66 27.769 7.795 -30.868 460 3HG2 THR 66 3HG2 THR 66 29.426 8.189 -30.406 461 H PHE 67 H PHE 67 27.730 11.246 -30.926 462 HA PHE 67 HA PHE 67 30.148 12.904 -30.966 463 1HB PHE 67 1HB PHE 67 27.534 14.173 -30.240 464 2HB PHE 67 2HB PHE 67 29.017 14.927 -30.815 465 HD1 PHE 67 HD1 PHE 67 26.578 12.382 -32.062 466 HD2 PHE 67 HD2 PHE 67 28.891 15.857 -32.896 467 HE1 PHE 67 HE1 PHE 67 25.656 12.446 -34.340 468 HE2 PHE 67 HE2 PHE 67 27.970 15.928 -35.176 469 HZ PHE 67 HZ PHE 67 26.349 14.220 -35.901 470 H TYR 68 H TYR 68 31.120 12.935 -29.045 471 HA TYR 68 HA TYR 68 29.768 11.757 -26.763 472 1HB TYR 68 1HB TYR 68 32.617 12.650 -27.217 473 2HB TYR 68 2HB TYR 68 32.039 12.010 -25.683 474 HD1 TYR 68 HD1 TYR 68 31.809 11.049 -29.296 475 HD2 TYR 68 HD2 TYR 68 32.567 9.808 -25.297 476 HE1 TYR 68 HE1 TYR 68 32.242 8.763 -30.092 477 HE2 TYR 68 HE2 TYR 68 33.005 7.521 -26.084 478 HH TYR 68 HH TYR 68 33.472 6.274 -27.963 479 H SER 69 H SER 69 29.467 14.647 -27.959 480 HA SER 69 HA SER 69 28.875 15.877 -25.448 481 1HB SER 69 1HB SER 69 30.544 17.840 -26.611 482 2HB SER 69 2HB SER 69 30.790 16.981 -25.090 483 HG SER 69 HG SER 69 32.112 16.726 -27.432 484 H CYS 70 H CYS 70 28.703 18.505 -26.155 485 HA CYS 70 HA CYS 70 26.344 18.626 -27.624 486 1HB CYS 70 1HB CYS 70 28.376 20.784 -27.030 487 2HB CYS 70 2HB CYS 70 26.776 21.085 -27.693 488 H THR 71 H THR 71 26.114 20.118 -29.618 489 HA THR 71 HA THR 71 28.247 20.191 -31.500 490 HB THR 71 HB THR 71 27.691 17.757 -31.567 491 HG1 THR 71 HG1 THR 71 28.541 18.336 -33.459 492 1HG2 THR 71 1HG2 THR 71 25.009 18.878 -32.253 493 2HG2 THR 71 2HG2 THR 71 25.515 17.354 -32.984 494 3HG2 THR 71 3HG2 THR 71 25.424 17.504 -31.228 495 H THR 72 H THR 72 27.496 20.921 -33.668 496 HA THR 72 HA THR 72 24.972 22.429 -33.458 497 HB THR 72 HB THR 72 26.068 24.139 -34.957 498 HG1 THR 72 HG1 THR 72 28.436 22.761 -34.157 499 1HG2 THR 72 1HG2 THR 72 25.863 24.167 -32.355 500 2HG2 THR 72 2HG2 THR 72 27.612 23.946 -32.400 501 3HG2 THR 72 3HG2 THR 72 26.882 25.360 -33.161 502 H GLU 73 H GLU 73 25.694 19.778 -34.702 503 HA GLU 73 HA GLU 73 25.501 20.205 -37.541 504 1HB GLU 73 2HB GLU 73 25.367 17.749 -37.672 505 2HB GLU 73 1HB GLU 73 25.235 17.667 -35.920 506 1HG GLU 73 1HG GLU 73 27.439 18.214 -35.589 507 2HG GLU 73 2HG GLU 73 27.520 17.257 -37.068 508 H GLY 74 H GLY 74 23.320 19.361 -34.918 509 1HA GLY 74 1HA GLY 74 21.095 19.292 -36.856 510 2HA GLY 74 2HA GLY 74 21.076 18.504 -35.289 511 H ARG 75 H ARG 75 21.605 21.769 -36.589 512 HA ARG 75 HA ARG 75 19.432 22.823 -35.026 513 1HB ARG 75 1HB ARG 75 20.929 24.524 -33.895 514 2HB ARG 75 2HB ARG 75 21.021 22.883 -33.276 515 1HG ARG 75 1HG ARG 75 23.144 22.568 -34.012 516 2HG ARG 75 2HG ARG 75 22.948 23.656 -35.386 517 1HD ARG 75 1HD ARG 75 22.654 25.233 -33.083 518 2HD ARG 75 2HD ARG 75 24.039 24.184 -32.785 519 HE ARG 75 HE ARG 75 25.187 25.571 -34.165 520 1HH1 ARG 75 1HH1 ARG 75 21.880 25.487 -35.246 521 2HH1 ARG 75 2HH1 ARG 75 22.172 26.475 -36.637 522 1HH2 ARG 75 1HH2 ARG 75 25.586 26.875 -35.997 523 2HH2 ARG 75 2HH2 ARG 75 24.278 27.266 -37.062 524 H GLN 76 H GLN 76 19.120 25.162 -35.413 525 HA GLN 76 HA GLN 76 20.397 26.109 -37.878 526 1HB GLN 76 2HB GLN 76 18.069 25.026 -38.168 527 2HB GLN 76 1HB GLN 76 18.378 26.576 -38.937 528 1HG GLN 76 1HG GLN 76 16.730 25.977 -36.512 529 2HG GLN 76 2HG GLN 76 17.332 27.602 -36.830 530 2HE2 GLN 76 1HE2 GLN 76 16.376 28.831 -38.362 531 1HE2 GLN 76 2HE2 GLN 76 14.996 28.339 -39.276 532 H ASP 77 H ASP 77 20.540 26.751 -34.920 533 HA ASP 77 HA ASP 77 19.769 29.587 -35.070 534 1HB ASP 77 1HB ASP 77 18.984 27.867 -33.177 535 2HB ASP 77 2HB ASP 77 20.510 28.377 -32.461 536 H GLY 78 H GLY 78 22.286 27.493 -33.682 537 1HA GLY 78 1HA GLY 78 24.602 28.084 -34.479 538 2HA GLY 78 2HA GLY 78 24.184 29.731 -34.039 539 H HIS 79 H HIS 79 22.977 27.265 -31.982 540 HA HIS 79 HA HIS 79 25.119 27.834 -30.041 541 1HB HIS 79 2HB HIS 79 23.596 28.120 -28.342 542 2HB HIS 79 1HB HIS 79 22.403 27.063 -29.088 543 HD1 HIS 79 HD1 HIS 79 23.932 30.132 -30.687 544 HD2 HIS 79 HD2 HIS 79 20.286 28.786 -29.218 545 HE1 HIS 79 HE1 HIS 79 22.258 31.900 -31.320 546 HE2 HIS 79 HE2 HIS 79 20.045 31.022 -30.496 547 H LEU 80 H LEU 80 26.193 26.116 -29.282 548 HA LEU 80 HA LEU 80 25.935 23.558 -30.268 549 1HB LEU 80 1HB LEU 80 27.169 24.679 -27.781 550 2HB LEU 80 2HB LEU 80 27.094 22.941 -27.995 551 HG LEU 80 HG LEU 80 28.370 23.134 -30.086 552 1HD1 LEU 80 1HD1 LEU 80 27.532 25.544 -30.450 553 2HD1 LEU 80 2HD1 LEU 80 28.896 26.007 -29.433 554 3HD1 LEU 80 3HD1 LEU 80 29.175 25.134 -30.941 555 1HD2 LEU 80 1HD2 LEU 80 29.333 23.783 -27.434 556 2HD2 LEU 80 2HD2 LEU 80 30.033 22.730 -28.663 557 3HD2 LEU 80 3HD2 LEU 80 30.364 24.462 -28.693 558 H TRP 81 H TRP 81 24.508 21.975 -29.980 559 HA TRP 81 HA TRP 81 22.804 22.054 -27.575 560 1HB TRP 81 2HB TRP 81 21.556 22.652 -29.609 561 2HB TRP 81 1HB TRP 81 20.984 21.133 -28.923 562 HD1 TRP 81 HD1 TRP 81 22.515 22.600 -32.046 563 HE1 TRP 81 HE1 TRP 81 22.700 20.766 -33.844 564 HE3 TRP 81 HE3 TRP 81 21.389 18.519 -29.174 565 HZ2 TRP 81 HZ2 TRP 81 22.409 17.965 -34.024 566 HZ3 TRP 81 HZ3 TRP 81 21.364 16.300 -30.237 567 HH2 TRP 81 HH2 TRP 81 21.864 16.031 -32.612 568 H CYS 82 H CYS 82 21.960 19.989 -26.859 569 HA CYS 82 HA CYS 82 23.390 17.618 -27.781 570 1HB CYS 82 1HB CYS 82 24.290 17.035 -25.685 571 2HB CYS 82 2HB CYS 82 24.650 18.751 -25.850 572 H SER 83 H SER 83 22.464 15.606 -26.862 573 HA SER 83 HA SER 83 19.569 15.917 -26.567 574 1HB SER 83 1HB SER 83 20.212 14.416 -28.333 575 2HB SER 83 2HB SER 83 21.283 13.523 -27.255 576 HG SER 83 HG SER 83 19.422 12.356 -27.371 577 H THR 84 H THR 84 18.552 15.571 -24.695 578 HA THR 84 HA THR 84 20.109 14.733 -22.393 579 HB THR 84 HB THR 84 18.461 15.626 -21.037 580 HG1 THR 84 HG1 THR 84 16.278 15.821 -21.699 581 1HG2 THR 84 1HG2 THR 84 18.702 17.096 -23.605 582 2HG2 THR 84 2HG2 THR 84 17.445 17.627 -22.489 583 3HG2 THR 84 3HG2 THR 84 19.128 17.596 -21.969 584 H THR 85 H THR 85 18.760 13.029 -24.718 585 HA THR 85 HA THR 85 18.372 10.717 -23.064 586 HB THR 85 HB THR 85 16.063 12.245 -23.981 587 HG1 THR 85 HG1 THR 85 16.719 10.306 -22.084 588 1HG2 THR 85 1HG2 THR 85 16.257 9.347 -24.782 589 2HG2 THR 85 2HG2 THR 85 14.716 10.162 -24.520 590 3HG2 THR 85 3HG2 THR 85 15.808 10.729 -25.783 591 H SER 86 H SER 86 18.782 8.852 -24.165 592 HA SER 86 HA SER 86 20.265 8.773 -26.421 593 1HB SER 86 1HB SER 86 18.603 6.821 -24.992 594 2HB SER 86 2HB SER 86 18.867 6.423 -26.689 595 HG SER 86 HG SER 86 20.521 5.578 -25.373 596 H ASN 87 H ASN 87 16.725 8.424 -26.337 597 HA ASN 87 HA ASN 87 16.533 8.423 -29.214 598 1HB ASN 87 1HB ASN 87 14.856 7.701 -27.033 599 2HB ASN 87 2HB ASN 87 14.006 8.923 -27.970 600 2HD2 ASN 87 1HD2 ASN 87 16.308 6.598 -29.247 601 1HD2 ASN 87 2HD2 ASN 87 15.169 5.732 -30.214 602 H TYR 88 H TYR 88 17.575 10.471 -29.634 603 HA TYR 88 HA TYR 88 16.276 12.889 -28.727 604 1HB TYR 88 1HB TYR 88 18.616 13.105 -28.951 605 2HB TYR 88 2HB TYR 88 18.621 12.326 -30.530 606 HD1 TYR 88 HD1 TYR 88 16.948 15.277 -28.948 607 HD2 TYR 88 HD2 TYR 88 19.067 13.729 -32.295 608 HE1 TYR 88 HE1 TYR 88 16.841 17.484 -30.027 609 HE2 TYR 88 HE2 TYR 88 18.967 15.932 -33.386 610 HH TYR 88 HH TYR 88 18.657 18.551 -32.220 611 H GLU 89 H GLU 89 16.454 10.949 -31.647 612 HA GLU 89 HA GLU 89 14.957 12.833 -33.224 613 1HB GLU 89 1HB GLU 89 15.909 10.016 -33.690 614 2HB GLU 89 2HB GLU 89 14.858 10.836 -34.837 615 1HG GLU 89 1HG GLU 89 16.799 12.694 -34.494 616 2HG GLU 89 2HG GLU 89 17.714 11.200 -34.296 617 H GLN 90 H GLN 90 14.048 11.045 -30.702 618 HA GLN 90 HA GLN 90 11.373 10.513 -31.812 619 1HB GLN 90 1HB GLN 90 12.099 8.375 -31.305 620 2HB GLN 90 2HB GLN 90 13.085 8.919 -29.956 621 1HG GLN 90 1HG GLN 90 11.279 7.681 -29.058 622 2HG GLN 90 2HG GLN 90 10.974 9.381 -28.703 623 2HE2 GLN 90 1HE2 GLN 90 9.517 6.636 -29.596 624 1HE2 GLN 90 2HE2 GLN 90 8.187 7.266 -30.502 625 H ASP 91 H ASP 91 13.184 11.358 -28.889 626 HA ASP 91 HA ASP 91 10.809 12.294 -27.537 627 1HB ASP 91 1HB ASP 91 12.617 11.206 -26.273 628 2HB ASP 91 2HB ASP 91 13.722 12.495 -26.742 629 H GLN 92 H GLN 92 13.503 13.668 -29.299 630 HA GLN 92 HA GLN 92 13.984 15.786 -29.978 631 1HB GLN 92 1HB GLN 92 11.074 15.531 -30.067 632 2HB GLN 92 2HB GLN 92 11.610 17.198 -29.899 633 1HG GLN 92 1HG GLN 92 11.384 16.771 -32.211 634 2HG GLN 92 2HG GLN 92 13.112 16.818 -31.864 635 2HE2 GLN 92 1HE2 GLN 92 10.384 14.643 -32.354 636 1HE2 GLN 92 2HE2 GLN 92 11.312 13.324 -32.975 637 H LYS 93 H LYS 93 14.683 15.462 -27.437 638 HA LYS 93 HA LYS 93 13.958 18.026 -26.215 639 1HB LYS 93 1HB LYS 93 13.780 17.124 -24.040 640 2HB LYS 93 2HB LYS 93 12.834 16.069 -25.072 641 1HG LYS 93 1HG LYS 93 15.538 15.517 -23.877 642 2HG LYS 93 2HG LYS 93 14.011 14.724 -23.518 643 1HD LYS 93 1HD LYS 93 14.760 13.168 -24.951 644 2HD LYS 93 2HD LYS 93 14.174 14.286 -26.179 645 1HE LYS 93 1HE LYS 93 16.311 15.066 -26.663 646 2HE LYS 93 2HE LYS 93 16.955 14.542 -25.109 647 1HZ LYS 93 1HZ LYS 93 15.959 12.489 -26.936 648 2HZ LYS 93 2HZ LYS 93 17.437 13.223 -27.309 649 3HZ LYS 93 3HZ LYS 93 17.239 12.426 -25.832 650 H TYR 94 H TYR 94 15.874 18.700 -27.356 651 HA TYR 94 HA TYR 94 18.416 17.704 -26.341 652 1HB TYR 94 1HB TYR 94 19.438 18.975 -28.101 653 2HB TYR 94 2HB TYR 94 18.047 18.142 -28.780 654 HD1 TYR 94 HD1 TYR 94 18.923 21.430 -27.227 655 HD2 TYR 94 HD2 TYR 94 16.606 19.347 -30.124 656 HE1 TYR 94 HE1 TYR 94 18.056 23.575 -28.068 657 HE2 TYR 94 HE2 TYR 94 15.733 21.484 -30.971 658 HH TYR 94 HH TYR 94 16.938 24.192 -30.726 659 H SER 95 H SER 95 20.122 19.506 -26.024 660 HA SER 95 HA SER 95 18.976 21.679 -24.403 661 1HB SER 95 2HB SER 95 20.292 21.203 -22.596 662 2HB SER 95 1HB SER 95 21.617 20.596 -23.589 663 HG SER 95 HG SER 95 20.579 18.654 -23.782 664 H PHE 96 H PHE 96 21.411 22.897 -23.728 665 HA PHE 96 HA PHE 96 22.492 23.627 -26.368 666 1HB PHE 96 1HB PHE 96 21.429 25.359 -24.192 667 2HB PHE 96 2HB PHE 96 22.810 25.948 -25.109 668 HD1 PHE 96 HD1 PHE 96 22.087 24.746 -27.779 669 HD2 PHE 96 HD2 PHE 96 19.775 26.862 -24.899 670 HE1 PHE 96 HE1 PHE 96 20.571 25.501 -29.559 671 HE2 PHE 96 HE2 PHE 96 18.253 27.622 -26.678 672 HZ PHE 96 HZ PHE 96 18.651 26.939 -29.010 673 H CYS 97 H CYS 97 24.494 25.209 -25.862 674 HA CYS 97 HA CYS 97 26.130 24.224 -23.682 675 1HB CYS 97 1HB CYS 97 26.330 23.116 -26.315 676 2HB CYS 97 2HB CYS 97 27.798 24.024 -25.971 677 H THR 98 H THR 98 27.290 25.864 -22.902 678 HA THR 98 HA THR 98 27.564 28.273 -24.547 679 HB THR 98 HB THR 98 26.896 29.298 -22.687 680 HG1 THR 98 HG1 THR 98 28.502 29.659 -21.116 681 1HG2 THR 98 1HG2 THR 98 26.172 26.971 -21.898 682 2HG2 THR 98 2HG2 THR 98 27.626 26.994 -20.900 683 3HG2 THR 98 3HG2 THR 98 26.377 28.216 -20.667 684 H ASP 99 H ASP 99 29.328 25.639 -24.116 685 HA ASP 99 HA ASP 99 31.805 26.175 -23.173 686 1HB ASP 99 1HB ASP 99 31.027 24.069 -24.345 687 2HB ASP 99 2HB ASP 99 31.380 24.881 -25.868 688 H HIS 100 H HIS 100 30.307 27.569 -25.977 689 HA HIS 100 HA HIS 100 30.867 29.449 -27.154 690 1HB HIS 100 1HB HIS 100 32.526 29.652 -24.888 691 2HB HIS 100 2HB HIS 100 33.569 29.926 -26.279 692 HD1 HIS 100 HD1 HIS 100 30.004 31.020 -26.430 693 HD2 HIS 100 HD2 HIS 100 33.746 32.665 -25.686 694 HE1 HIS 100 HE1 HIS 100 29.667 33.512 -26.490 695 HE2 HIS 100 HE2 HIS 100 31.927 34.485 -25.945 696 H THR 101 H THR 101 33.696 27.371 -26.605 697 HA THR 101 HA THR 101 33.836 26.776 -29.432 698 HB THR 101 HB THR 101 35.230 28.559 -29.761 699 HG1 THR 101 HG1 THR 101 37.064 26.697 -28.618 700 1HG2 THR 101 1HG2 THR 101 35.058 29.333 -27.398 701 2HG2 THR 101 2HG2 THR 101 36.386 28.247 -26.989 702 3HG2 THR 101 3HG2 THR 101 36.652 29.583 -28.108 No H/Q in entry = 702 Start of MODEL 42 1 H1 TYR 1 H1 TYR 1 52.410 17.839 -39.874 2 H2 TYR 1 H2 TYR 1 51.630 17.961 -38.377 3 H3 TYR 1 H3 TYR 1 53.318 18.029 -38.459 4 HA TYR 1 HA TYR 1 53.517 15.778 -39.011 5 1HB TYR 1 1HB TYR 1 51.419 16.257 -36.889 6 2HB TYR 1 2HB TYR 1 52.195 14.696 -37.140 7 HD1 TYR 1 HD1 TYR 1 52.877 18.243 -36.285 8 HD2 TYR 1 HD2 TYR 1 54.292 14.232 -36.187 9 HE1 TYR 1 HE1 TYR 1 54.731 18.939 -34.825 10 HE2 TYR 1 HE2 TYR 1 56.149 14.916 -34.728 11 HH TYR 1 HH TYR 1 57.343 16.780 -34.016 12 H GLY 2 H GLY 2 52.567 13.733 -39.586 13 1HA GLY 2 1HA GLY 2 50.292 14.086 -41.375 14 2HA GLY 2 2HA GLY 2 51.368 12.699 -41.324 15 H HIS 3 H HIS 3 50.531 10.896 -40.522 16 HA HIS 3 HA HIS 3 47.925 10.809 -39.416 17 1HB HIS 3 1HB HIS 3 50.075 8.852 -40.001 18 2HB HIS 3 2HB HIS 3 48.897 8.375 -38.784 19 HD1 HIS 3 HD1 HIS 3 48.603 10.014 -42.217 20 HD2 HIS 3 HD2 HIS 3 46.967 6.925 -39.972 21 HE1 HIS 3 HE1 HIS 3 46.856 8.966 -43.690 22 HE2 HIS 3 HE2 HIS 3 45.932 7.050 -42.339 23 H CYS 4 H CYS 4 47.387 9.802 -37.308 24 HA CYS 4 HA CYS 4 49.244 10.731 -35.215 25 1HB CYS 4 1HB CYS 4 46.883 10.580 -33.902 26 2HB CYS 4 2HB CYS 4 47.453 12.033 -34.712 27 H VAL 5 H VAL 5 49.227 9.503 -33.195 28 HA VAL 5 HA VAL 5 48.136 6.818 -33.264 29 HB VAL 5 HB VAL 5 50.174 5.623 -33.114 30 1HG1 VAL 5 1HG1 VAL 5 49.465 6.402 -35.394 31 2HG1 VAL 5 2HG1 VAL 5 50.676 7.678 -35.258 32 3HG1 VAL 5 3HG1 VAL 5 51.172 5.986 -35.243 33 1HG2 VAL 5 1HG2 VAL 5 51.333 8.297 -32.568 34 2HG2 VAL 5 2HG2 VAL 5 51.682 6.737 -31.824 35 3HG2 VAL 5 3HG2 VAL 5 52.351 7.128 -33.409 36 H THR 6 H THR 6 48.517 5.649 -31.226 37 HA THR 6 HA THR 6 49.421 7.246 -28.967 38 HB THR 6 HB THR 6 47.093 7.892 -29.066 39 HG1 THR 6 HG1 THR 6 47.459 5.913 -27.044 40 1HG2 THR 6 1HG2 THR 6 46.438 5.776 -30.358 41 2HG2 THR 6 2HG2 THR 6 46.284 5.014 -28.774 42 3HG2 THR 6 3HG2 THR 6 45.282 6.405 -29.184 43 H ASP 7 H ASP 7 50.809 5.916 -28.010 44 HA ASP 7 HA ASP 7 51.672 4.100 -26.948 45 1HB ASP 7 1HB ASP 7 48.769 3.293 -27.003 46 2HB ASP 7 2HB ASP 7 50.010 2.261 -26.300 47 H SER 8 H SER 8 50.833 4.208 -30.006 48 HA SER 8 HA SER 8 51.345 2.987 -31.854 49 1HB SER 8 1HB SER 8 53.207 1.641 -31.769 50 2HB SER 8 2HB SER 8 53.386 2.464 -30.219 51 HG SER 8 HG SER 8 53.495 0.030 -30.332 52 H GLY 9 H GLY 9 48.861 2.574 -30.636 53 1HA GLY 9 1HA GLY 9 48.409 -0.271 -31.288 54 2HA GLY 9 2HA GLY 9 47.597 0.506 -29.938 55 H VAL 10 H VAL 10 47.664 2.921 -32.031 56 HA VAL 10 HA VAL 10 45.541 2.049 -33.810 57 HB VAL 10 HB VAL 10 44.815 4.511 -32.355 58 1HG1 VAL 10 1HG1 VAL 10 43.506 2.232 -33.713 59 2HG1 VAL 10 2HG1 VAL 10 42.606 3.010 -32.412 60 3HG1 VAL 10 3HG1 VAL 10 43.154 3.958 -33.795 61 1HG2 VAL 10 1HG2 VAL 10 45.598 3.126 -30.495 62 2HG2 VAL 10 2HG2 VAL 10 43.845 3.317 -30.456 63 3HG2 VAL 10 3HG2 VAL 10 44.555 1.809 -31.033 64 H VAL 11 H VAL 11 46.642 2.643 -35.606 65 HA VAL 11 HA VAL 11 48.118 5.069 -35.833 66 HB VAL 11 HB VAL 11 47.137 3.192 -37.987 67 1HG1 VAL 11 1HG1 VAL 11 47.995 5.752 -38.359 68 2HG1 VAL 11 2HG1 VAL 11 49.499 4.842 -38.508 69 3HG1 VAL 11 3HG1 VAL 11 48.128 4.456 -39.549 70 1HG2 VAL 11 1HG2 VAL 11 49.251 2.999 -36.052 71 2HG2 VAL 11 2HG2 VAL 11 48.723 1.819 -37.252 72 3HG2 VAL 11 3HG2 VAL 11 49.920 3.040 -37.684 73 H TYR 12 H TYR 12 46.452 6.570 -35.126 74 HA TYR 12 HA TYR 12 44.091 6.993 -36.655 75 1HB TYR 12 1HB TYR 12 45.561 8.761 -34.691 76 2HB TYR 12 2HB TYR 12 44.008 9.179 -35.407 77 HD1 TYR 12 HD1 TYR 12 42.130 7.349 -35.109 78 HD2 TYR 12 HD2 TYR 12 45.587 7.689 -32.654 79 HE1 TYR 12 HE1 TYR 12 40.974 6.114 -33.324 80 HE2 TYR 12 HE2 TYR 12 44.440 6.453 -30.860 81 HH TYR 12 HH TYR 12 42.609 4.909 -30.565 82 H SER 13 H SER 13 43.739 9.361 -37.534 83 HA SER 13 HA SER 13 46.063 10.113 -39.174 84 1HB SER 13 1HB SER 13 43.202 9.792 -40.094 85 2HB SER 13 2HB SER 13 44.462 10.568 -41.054 86 HG SER 13 HG SER 13 44.365 8.433 -41.664 87 H VAL 14 H VAL 14 46.424 12.250 -39.437 88 HA VAL 14 HA VAL 14 45.867 14.152 -37.694 89 HB VAL 14 HB VAL 14 47.279 14.602 -39.613 90 1HG1 VAL 14 1HG1 VAL 14 45.198 13.633 -41.119 91 2HG1 VAL 14 2HG1 VAL 14 45.164 15.361 -41.469 92 3HG1 VAL 14 3HG1 VAL 14 46.638 14.434 -41.747 93 1HG2 VAL 14 1HG2 VAL 14 45.390 16.426 -38.518 94 2HG2 VAL 14 2HG2 VAL 14 47.014 16.751 -39.122 95 3HG2 VAL 14 3HG2 VAL 14 45.634 16.829 -40.217 96 H GLY 15 H GLY 15 43.822 13.920 -36.750 97 1HA GLY 15 1HA GLY 15 41.767 15.038 -36.436 98 2HA GLY 15 2HA GLY 15 41.723 15.387 -38.156 99 H MET 16 H MET 16 42.055 12.354 -36.334 100 HA MET 16 HA MET 16 39.882 11.243 -37.961 101 1HB MET 16 1HB MET 16 41.943 9.981 -38.069 102 2HB MET 16 2HB MET 16 42.025 9.891 -36.315 103 1HG MET 16 1HG MET 16 40.898 7.996 -36.365 104 2HG MET 16 2HG MET 16 39.527 8.831 -37.094 105 1HE MET 16 1HE MET 16 42.316 6.463 -37.323 106 2HE MET 16 2HE MET 16 42.451 5.967 -39.010 107 3HE MET 16 3HE MET 16 43.188 7.477 -38.473 108 H GLN 17 H GLN 17 40.753 12.108 -34.726 109 HA GLN 17 HA GLN 17 39.633 12.049 -32.744 110 1HB GLN 17 1HB GLN 17 37.578 12.369 -34.819 111 2HB GLN 17 2HB GLN 17 36.969 11.727 -33.300 112 1HG GLN 17 1HG GLN 17 37.948 13.637 -32.117 113 2HG GLN 17 2HG GLN 17 38.512 14.286 -33.655 114 2HE2 GLN 17 1HE2 GLN 17 35.707 13.549 -31.710 115 1HE2 GLN 17 2HE2 GLN 17 34.608 14.586 -32.549 116 H TRP 18 H TRP 18 38.558 10.655 -31.223 117 HA TRP 18 HA TRP 18 37.462 8.157 -31.910 118 1HB TRP 18 1HB TRP 18 39.215 6.628 -31.405 119 2HB TRP 18 2HB TRP 18 39.877 7.787 -32.554 120 HD1 TRP 18 HD1 TRP 18 39.963 6.986 -28.784 121 HE1 TRP 18 HE1 TRP 18 42.162 7.889 -27.824 122 HE3 TRP 18 HE3 TRP 18 41.745 9.369 -32.943 123 HZ2 TRP 18 HZ2 TRP 18 44.368 9.427 -28.705 124 HZ3 TRP 18 HZ3 TRP 18 43.907 10.532 -32.799 125 HH2 TRP 18 HH2 TRP 18 45.192 10.557 -30.726 126 H LEU 19 H LEU 19 37.695 6.597 -29.866 127 HA LEU 19 HA LEU 19 36.955 8.251 -27.554 128 1HB LEU 19 1HB LEU 19 36.171 5.501 -28.461 129 2HB LEU 19 2HB LEU 19 35.980 5.966 -26.784 130 HG LEU 19 HG LEU 19 33.916 6.559 -27.441 131 1HD1 LEU 19 1HD1 LEU 19 35.495 8.882 -28.523 132 2HD1 LEU 19 2HD1 LEU 19 33.748 8.885 -28.287 133 3HD1 LEU 19 3HD1 LEU 19 34.823 8.703 -26.901 134 1HD2 LEU 19 1HD2 LEU 19 35.086 6.615 -30.189 135 2HD2 LEU 19 2HD2 LEU 19 33.790 5.611 -29.541 136 3HD2 LEU 19 3HD2 LEU 19 33.496 7.316 -29.884 137 H LYS 20 H LYS 20 38.046 8.157 -25.695 138 HA LYS 20 HA LYS 20 40.154 6.111 -25.446 139 1HB LYS 20 1HB LYS 20 40.738 8.652 -25.691 140 2HB LYS 20 2HB LYS 20 40.281 8.721 -23.996 141 1HG LYS 20 1HG LYS 20 42.696 8.447 -24.304 142 2HG LYS 20 2HG LYS 20 41.972 7.094 -23.432 143 1HD LYS 20 1HD LYS 20 41.959 6.625 -26.282 144 2HD LYS 20 2HD LYS 20 43.590 6.962 -25.698 145 1HE LYS 20 1HE LYS 20 43.678 5.074 -24.441 146 2HE LYS 20 2HE LYS 20 41.953 5.103 -24.083 147 1HZ LYS 20 1HZ LYS 20 42.871 4.505 -26.816 148 2HZ LYS 20 2HZ LYS 20 42.898 3.291 -25.638 149 3HZ LYS 20 3HZ LYS 20 41.438 4.043 -26.046 150 H THR 21 H THR 21 40.165 4.875 -23.678 151 HA THR 21 HA THR 21 38.419 5.610 -21.424 152 HB THR 21 HB THR 21 38.393 2.849 -21.411 153 HG1 THR 21 HG1 THR 21 38.682 2.216 -23.403 154 1HG2 THR 21 1HG2 THR 21 36.422 4.886 -22.420 155 2HG2 THR 21 2HG2 THR 21 36.027 3.171 -22.312 156 3HG2 THR 21 3HG2 THR 21 36.453 4.072 -20.857 157 H GLN 22 H GLN 22 39.445 5.601 -19.528 158 HA GLN 22 HA GLN 22 42.162 4.665 -19.359 159 1HB GLN 22 2HB GLN 22 42.268 5.753 -17.270 160 2HB GLN 22 1HB GLN 22 40.526 5.673 -17.044 161 1HG GLN 22 1HG GLN 22 41.148 7.143 -19.428 162 2HG GLN 22 2HG GLN 22 40.247 7.646 -17.999 163 2HE2 GLN 22 1HE2 GLN 22 43.636 6.835 -18.686 164 1HE2 GLN 22 2HE2 GLN 22 44.298 8.274 -17.995 165 H GLY 23 H GLY 23 39.022 3.652 -18.146 166 1HA GLY 23 1HA GLY 23 38.919 1.134 -17.947 167 2HA GLY 23 2HA GLY 23 40.328 1.309 -16.916 168 H ASN 24 H ASN 24 37.371 3.225 -17.065 169 HA ASN 24 HA ASN 24 36.064 2.141 -14.857 170 1HB ASN 24 1HB ASN 24 38.338 3.586 -14.074 171 2HB ASN 24 2HB ASN 24 36.978 4.657 -13.753 172 2HD2 ASN 24 1HD2 ASN 24 35.035 2.788 -13.118 173 1HD2 ASN 24 2HD2 ASN 24 35.463 2.016 -11.633 174 H LYS 25 H LYS 25 36.832 4.957 -16.771 175 HA LYS 25 HA LYS 25 33.981 5.674 -16.782 176 1HB LYS 25 2HB LYS 25 35.303 7.237 -15.333 177 2HB LYS 25 1HB LYS 25 34.479 8.015 -16.676 178 1HG LYS 25 1HG LYS 25 37.158 7.205 -17.399 179 2HG LYS 25 2HG LYS 25 36.385 8.787 -17.510 180 1HD LYS 25 1HD LYS 25 37.070 7.939 -14.783 181 2HD LYS 25 2HD LYS 25 38.454 8.184 -15.849 182 1HE LYS 25 1HE LYS 25 37.761 10.431 -16.329 183 2HE LYS 25 2HE LYS 25 36.247 10.198 -15.457 184 1HZ LYS 25 1HZ LYS 25 38.698 9.728 -13.957 185 2HZ LYS 25 2HZ LYS 25 38.369 11.335 -14.372 186 3HZ LYS 25 3HZ LYS 25 37.249 10.449 -13.465 187 H GLN 26 H GLN 26 34.539 7.949 -18.547 188 HA GLN 26 HA GLN 26 35.481 6.556 -20.957 189 1HB GLN 26 1HB GLN 26 32.882 7.997 -20.548 190 2HB GLN 26 2HB GLN 26 33.610 7.912 -22.146 191 1HG GLN 26 1HG GLN 26 32.973 5.804 -22.441 192 2HG GLN 26 2HG GLN 26 33.507 5.327 -20.830 193 2HE2 GLN 26 1HE2 GLN 26 30.865 6.576 -22.723 194 1HE2 GLN 26 2HE2 GLN 26 29.625 6.271 -21.561 195 H MET 27 H MET 27 36.882 7.688 -22.131 196 HA MET 27 HA MET 27 37.053 10.593 -21.677 197 1HB MET 27 1HB MET 27 38.901 9.091 -20.672 198 2HB MET 27 2HB MET 27 39.443 8.892 -22.332 199 1HG MET 27 1HG MET 27 39.117 11.632 -22.034 200 2HG MET 27 2HG MET 27 39.828 11.096 -20.511 201 1HE MET 27 1HE MET 27 41.865 11.200 -20.068 202 2HE MET 27 2HE MET 27 43.290 10.781 -21.018 203 3HE MET 27 3HE MET 27 42.579 12.388 -21.158 204 H LEU 28 H LEU 28 37.637 11.878 -23.441 205 HA LEU 28 HA LEU 28 37.353 10.554 -26.057 206 1HB LEU 28 1HB LEU 28 35.663 12.350 -25.155 207 2HB LEU 28 2HB LEU 28 36.906 13.482 -25.654 208 HG LEU 28 HG LEU 28 36.789 12.493 -27.952 209 1HD1 LEU 28 1HD1 LEU 28 35.722 10.351 -27.043 210 2HD1 LEU 28 2HD1 LEU 28 34.207 11.250 -27.091 211 3HD1 LEU 28 3HD1 LEU 28 35.126 10.993 -28.574 212 1HD2 LEU 28 1HD2 LEU 28 35.058 14.305 -26.666 213 2HD2 LEU 28 2HD2 LEU 28 35.443 14.207 -28.385 214 3HD2 LEU 28 3HD2 LEU 28 34.061 13.322 -27.739 215 H CYS 29 H CYS 29 38.931 10.835 -27.576 216 HA CYS 29 HA CYS 29 41.023 12.814 -26.989 217 1HB CYS 29 1HB CYS 29 41.670 10.457 -26.302 218 2HB CYS 29 2HB CYS 29 41.660 10.063 -28.016 219 H THR 30 H THR 30 42.287 13.489 -28.793 220 HA THR 30 HA THR 30 41.426 12.741 -31.455 221 HB THR 30 HB THR 30 41.018 15.575 -30.483 222 HG1 THR 30 HG1 THR 30 39.337 13.389 -30.767 223 1HG2 THR 30 1HG2 THR 30 40.709 14.304 -33.198 224 2HG2 THR 30 2HG2 THR 30 40.020 15.870 -32.771 225 3HG2 THR 30 3HG2 THR 30 41.770 15.638 -32.746 226 H CYS 31 H CYS 31 42.853 13.378 -33.075 227 HA CYS 31 HA CYS 31 45.402 14.455 -32.087 228 1HB CYS 31 1HB CYS 31 46.312 13.482 -34.262 229 2HB CYS 31 2HB CYS 31 45.799 12.329 -33.038 230 H LEU 32 H LEU 32 45.451 16.569 -32.368 231 HA LEU 32 HA LEU 32 44.078 17.871 -34.534 232 1HB LEU 32 1HB LEU 32 45.507 19.871 -33.504 233 2HB LEU 32 2HB LEU 32 44.022 19.292 -32.773 234 HG LEU 32 HG LEU 32 46.497 17.965 -31.855 235 1HD1 LEU 32 1HD1 LEU 32 46.005 20.884 -31.528 236 2HD1 LEU 32 2HD1 LEU 32 46.713 19.967 -30.198 237 3HD1 LEU 32 3HD1 LEU 32 47.521 20.012 -31.765 238 1HD2 LEU 32 1HD2 LEU 32 44.053 17.696 -31.047 239 2HD2 LEU 32 2HD2 LEU 32 45.348 17.783 -29.853 240 3HD2 LEU 32 3HD2 LEU 32 44.352 19.202 -30.178 241 H GLY 33 H GLY 33 47.232 19.102 -33.740 242 1HA GLY 33 1HA GLY 33 48.286 18.123 -36.306 243 2HA GLY 33 2HA GLY 33 48.278 19.848 -35.978 244 H ASN 34 H ASN 34 48.992 19.820 -33.286 245 HA ASN 34 HA ASN 34 51.823 19.466 -33.519 246 1HB ASN 34 2HB ASN 34 50.673 21.305 -32.213 247 2HB ASN 34 1HB ASN 34 51.968 20.472 -31.359 248 2HD2 ASN 34 1HD2 ASN 34 50.869 21.433 -29.500 249 1HD2 ASN 34 2HD2 ASN 34 49.565 20.562 -28.777 250 H GLY 35 H GLY 35 49.180 17.650 -32.186 251 1HA GLY 35 1HA GLY 35 50.669 15.273 -31.991 252 2HA GLY 35 2HA GLY 35 50.566 15.998 -30.394 253 H VAL 36 H VAL 36 49.095 14.929 -29.258 254 HA VAL 36 HA VAL 36 46.441 14.546 -30.447 255 HB VAL 36 HB VAL 36 48.233 12.443 -29.384 256 1HG1 VAL 36 1HG1 VAL 36 45.439 12.753 -28.435 257 2HG1 VAL 36 2HG1 VAL 36 45.973 11.135 -28.893 258 3HG1 VAL 36 3HG1 VAL 36 46.832 12.024 -27.636 259 1HG2 VAL 36 1HG2 VAL 36 47.458 12.668 -31.749 260 2HG2 VAL 36 2HG2 VAL 36 47.157 11.093 -31.013 261 3HG2 VAL 36 3HG2 VAL 36 45.839 12.250 -31.187 262 H SER 37 H SER 37 44.859 15.297 -29.202 263 HA SER 37 HA SER 37 45.419 15.731 -26.342 264 1HB SER 37 1HB SER 37 45.248 17.833 -27.696 265 2HB SER 37 2HB SER 37 43.584 17.394 -28.083 266 HG SER 37 HG SER 37 44.697 18.067 -25.575 267 H CYS 38 H CYS 38 43.777 15.302 -24.863 268 HA CYS 38 HA CYS 38 41.243 14.260 -25.834 269 1HB CYS 38 2HB CYS 38 41.576 12.086 -25.366 270 2HB CYS 38 1HB CYS 38 42.365 12.455 -23.845 271 H GLN 39 H GLN 39 39.622 14.130 -24.226 272 HA GLN 39 HA GLN 39 40.303 15.353 -21.639 273 1HB GLN 39 1HB GLN 39 39.334 17.061 -23.138 274 2HB GLN 39 2HB GLN 39 37.908 16.055 -23.345 275 1HG GLN 39 1HG GLN 39 37.543 16.213 -20.876 276 2HG GLN 39 2HG GLN 39 38.845 17.403 -20.829 277 2HE2 GLN 39 1HE2 GLN 39 38.573 19.314 -22.210 278 1HE2 GLN 39 2HE2 GLN 39 36.982 19.951 -22.429 279 H GLU 40 H GLU 40 39.483 14.312 -19.926 280 HA GLU 40 HA GLU 40 38.079 11.873 -20.253 281 1HB GLU 40 1HB GLU 40 37.948 11.879 -17.773 282 2HB GLU 40 2HB GLU 40 39.575 12.136 -18.388 283 1HG GLU 40 1HG GLU 40 39.684 14.263 -17.614 284 2HG GLU 40 2HG GLU 40 37.957 14.545 -17.819 285 H THR 41 H THR 41 35.978 11.374 -20.116 286 HA THR 41 HA THR 41 33.725 11.580 -19.742 287 HB THR 41 HB THR 41 34.252 14.377 -18.728 288 HG1 THR 41 HG1 THR 41 34.673 11.895 -17.580 289 1HG2 THR 41 1HG2 THR 41 31.873 12.834 -19.167 290 2HG2 THR 41 2HG2 THR 41 32.070 13.154 -17.444 291 3HG2 THR 41 3HG2 THR 41 32.034 14.494 -18.590 292 H ALA 42 H ALA 42 35.198 14.606 -20.921 293 HA ALA 42 HA ALA 42 34.877 15.738 -22.887 294 1HB ALA 42 1HB ALA 42 34.181 13.174 -23.588 295 2HB ALA 42 2HB ALA 42 32.741 14.101 -24.008 296 3HB ALA 42 3HB ALA 42 34.305 14.545 -24.690 297 H VAL 43 H VAL 43 33.966 17.519 -21.960 298 HA VAL 43 HA VAL 43 31.038 17.505 -21.693 299 HB VAL 43 HB VAL 43 32.924 18.130 -19.783 300 1HG1 VAL 43 1HG1 VAL 43 33.082 20.371 -21.138 301 2HG1 VAL 43 2HG1 VAL 43 31.610 20.751 -20.244 302 3HG1 VAL 43 3HG1 VAL 43 33.094 20.364 -19.376 303 1HG2 VAL 43 1HG2 VAL 43 30.074 18.083 -20.077 304 2HG2 VAL 43 2HG2 VAL 43 31.071 17.684 -18.677 305 3HG2 VAL 43 3HG2 VAL 43 30.568 19.352 -18.955 306 H THR 44 H THR 44 30.466 20.110 -21.550 307 HA THR 44 HA THR 44 31.640 21.830 -23.415 308 HB THR 44 HB THR 44 31.011 20.304 -25.160 309 HG1 THR 44 HG1 THR 44 28.916 22.159 -25.355 310 1HG2 THR 44 1HG2 THR 44 28.698 19.880 -23.500 311 2HG2 THR 44 2HG2 THR 44 28.204 20.277 -25.145 312 3HG2 THR 44 3HG2 THR 44 29.290 18.918 -24.854 313 H GLN 45 H GLN 45 29.820 23.462 -24.268 314 HA GLN 45 HA GLN 45 28.294 24.186 -21.870 315 1HB GLN 45 1HB GLN 45 28.662 26.008 -24.220 316 2HB GLN 45 2HB GLN 45 28.446 26.414 -22.523 317 1HG GLN 45 1HG GLN 45 30.824 24.959 -22.639 318 2HG GLN 45 2HG GLN 45 30.865 26.049 -24.025 319 2HE2 GLN 45 1HE2 GLN 45 32.132 27.679 -23.473 320 1HE2 GLN 45 2HE2 GLN 45 32.018 28.600 -22.016 321 H THR 46 H THR 46 26.244 25.531 -22.458 322 HA THR 46 HA THR 46 24.816 24.678 -24.804 323 HB THR 46 HB THR 46 22.961 23.584 -23.576 324 HG1 THR 46 HG1 THR 46 24.046 22.772 -21.378 325 1HG2 THR 46 1HG2 THR 46 24.793 22.276 -24.666 326 2HG2 THR 46 2HG2 THR 46 25.593 22.186 -23.097 327 3HG2 THR 46 3HG2 THR 46 24.012 21.439 -23.324 328 H TYR 47 H TYR 47 23.435 26.234 -25.369 329 HA TYR 47 HA TYR 47 22.233 27.918 -23.295 330 1HB TYR 47 2HB TYR 47 24.206 29.143 -24.045 331 2HB TYR 47 1HB TYR 47 22.742 29.958 -24.586 332 HD1 TYR 47 HD1 TYR 47 22.034 29.745 -26.981 333 HD2 TYR 47 HD2 TYR 47 25.811 28.358 -25.599 334 HE1 TYR 47 HE1 TYR 47 22.860 29.710 -29.296 335 HE2 TYR 47 HE2 TYR 47 26.648 28.318 -27.912 336 HH TYR 47 HH TYR 47 25.490 29.882 -30.317 337 H GLY 48 H GLY 48 20.158 28.482 -23.693 338 1HA GLY 48 1HA GLY 48 18.111 28.552 -24.729 339 2HA GLY 48 2HA GLY 48 18.991 28.770 -26.234 340 H GLY 49 H GLY 49 18.984 27.159 -27.687 341 1HA GLY 49 1HA GLY 49 18.469 25.149 -28.665 342 2HA GLY 49 2HA GLY 49 18.913 24.420 -27.129 343 H ASN 50 H ASN 50 17.290 22.874 -27.183 344 HA ASN 50 HA ASN 50 14.527 23.870 -27.161 345 1HB ASN 50 1HB ASN 50 15.545 21.838 -28.618 346 2HB ASN 50 2HB ASN 50 15.034 20.953 -27.184 347 2HD2 ASN 50 1HD2 ASN 50 14.010 20.930 -29.939 348 1HD2 ASN 50 2HD2 ASN 50 12.327 21.299 -29.811 349 H SER 51 H SER 51 16.816 23.459 -24.980 350 HA SER 51 HA SER 51 14.912 22.659 -22.906 351 1HB SER 51 1HB SER 51 17.005 20.989 -23.776 352 2HB SER 51 2HB SER 51 17.538 21.665 -22.237 353 HG SER 51 HG SER 51 15.340 21.027 -21.493 354 H ASN 52 H ASN 52 16.586 25.074 -24.000 355 HA ASN 52 HA ASN 52 17.501 26.969 -23.140 356 1HB ASN 52 1HB ASN 52 15.537 27.047 -21.730 357 2HB ASN 52 2HB ASN 52 16.249 25.896 -20.605 358 2HD2 ASN 52 1HD2 ASN 52 17.745 28.675 -22.182 359 1HD2 ASN 52 2HD2 ASN 52 18.108 29.531 -20.725 360 H GLY 53 H GLY 53 19.275 24.911 -23.494 361 1HA GLY 53 1HA GLY 53 21.549 24.695 -23.007 362 2HA GLY 53 2HA GLY 53 21.290 25.593 -21.518 363 H GLU 54 H GLU 54 21.563 24.458 -19.730 364 HA GLU 54 HA GLU 54 21.550 22.748 -18.226 365 1HB GLU 54 1HB GLU 54 19.885 21.199 -20.210 366 2HB GLU 54 2HB GLU 54 20.013 20.922 -18.479 367 1HG GLU 54 1HG GLU 54 18.991 23.171 -18.124 368 2HG GLU 54 2HG GLU 54 18.715 23.250 -19.863 369 HA PRO 55 HA PRO 55 24.805 20.031 -19.366 370 1HB PRO 55 1HB PRO 55 23.762 17.878 -17.685 371 2HB PRO 55 2HB PRO 55 25.195 18.882 -17.449 372 1HG PRO 55 1HG PRO 55 22.992 19.093 -15.889 373 2HG PRO 55 2HG PRO 55 24.046 20.471 -16.252 374 1HD PRO 55 2HD PRO 55 22.031 21.338 -16.995 375 2HD PRO 55 1HD PRO 55 21.399 19.741 -17.450 376 H CYS 56 H CYS 56 25.040 18.941 -21.210 377 HA CYS 56 HA CYS 56 22.964 17.625 -22.556 378 1HB CYS 56 1HB CYS 56 25.884 17.044 -23.001 379 2HB CYS 56 2HB CYS 56 24.575 17.007 -24.176 380 H VAL 57 H VAL 57 24.097 15.210 -23.440 381 HA VAL 57 HA VAL 57 24.604 13.533 -21.150 382 HB VAL 57 HB VAL 57 22.072 13.904 -21.248 383 1HG1 VAL 57 1HG1 VAL 57 22.399 13.231 -23.891 384 2HG1 VAL 57 2HG1 VAL 57 21.756 11.750 -23.180 385 3HG1 VAL 57 3HG1 VAL 57 20.872 13.266 -23.013 386 1HG2 VAL 57 1HG2 VAL 57 23.481 11.951 -20.203 387 2HG2 VAL 57 2HG2 VAL 57 21.721 11.855 -20.276 388 3HG2 VAL 57 3HG2 VAL 57 22.701 10.999 -21.467 389 H LEU 58 H LEU 58 26.266 13.880 -23.223 390 HA LEU 58 HA LEU 58 25.838 11.622 -25.043 391 1HB LEU 58 1HB LEU 58 28.179 12.758 -25.872 392 2HB LEU 58 2HB LEU 58 26.594 13.105 -26.532 393 HG LEU 58 HG LEU 58 27.865 15.146 -26.083 394 1HD1 LEU 58 1HD1 LEU 58 25.240 14.628 -25.416 395 2HD1 LEU 58 2HD1 LEU 58 25.870 15.492 -24.017 396 3HD1 LEU 58 3HD1 LEU 58 25.976 16.216 -25.619 397 1HD2 LEU 58 1HD2 LEU 58 28.322 13.824 -23.534 398 2HD2 LEU 58 2HD2 LEU 58 29.220 15.126 -24.314 399 3HD2 LEU 58 3HD2 LEU 58 27.785 15.494 -23.356 400 HA PRO 59 HA PRO 59 27.709 10.978 -26.626 401 1HB PRO 59 1HB PRO 59 28.168 8.364 -27.163 402 2HB PRO 59 2HB PRO 59 29.468 9.553 -27.020 403 1HG PRO 59 1HG PRO 59 28.486 7.572 -25.003 404 2HG PRO 59 2HG PRO 59 30.153 8.011 -25.421 405 1HD PRO 59 1HD PRO 59 28.873 8.994 -23.236 406 2HD PRO 59 2HD PRO 59 30.109 9.910 -24.121 407 H PHE 60 H PHE 60 25.714 10.877 -27.416 408 HA PHE 60 HA PHE 60 23.827 8.948 -26.231 409 1HB PHE 60 1HB PHE 60 22.068 10.566 -27.088 410 2HB PHE 60 2HB PHE 60 23.075 11.158 -25.769 411 HD1 PHE 60 HD1 PHE 60 22.565 11.307 -29.425 412 HD2 PHE 60 HD2 PHE 60 24.404 13.075 -26.020 413 HE1 PHE 60 HE1 PHE 60 23.188 13.262 -30.782 414 HE2 PHE 60 HE2 PHE 60 25.033 15.034 -27.371 415 HZ PHE 60 HZ PHE 60 24.426 15.127 -29.755 416 H THR 61 H THR 61 21.814 8.952 -28.019 417 HA THR 61 HA THR 61 23.034 8.174 -30.582 418 HB THR 61 HB THR 61 20.693 6.608 -29.622 419 HG1 THR 61 HG1 THR 61 21.745 5.883 -27.944 420 1HG2 THR 61 1HG2 THR 61 21.740 6.315 -31.868 421 2HG2 THR 61 2HG2 THR 61 23.213 5.779 -31.060 422 3HG2 THR 61 3HG2 THR 61 21.726 4.846 -30.891 423 H TYR 62 H TYR 62 22.072 9.040 -32.303 424 HA TYR 62 HA TYR 62 19.242 9.741 -32.188 425 1HB TYR 62 1HB TYR 62 20.181 11.823 -31.541 426 2HB TYR 62 2HB TYR 62 21.473 11.697 -32.731 427 HD1 TYR 62 HD1 TYR 62 17.766 11.988 -32.471 428 HD2 TYR 62 HD2 TYR 62 21.248 12.757 -34.791 429 HE1 TYR 62 HE1 TYR 62 16.410 13.274 -34.069 430 HE2 TYR 62 HE2 TYR 62 19.902 14.047 -36.395 431 HH TYR 62 HH TYR 62 17.532 14.181 -37.120 432 H ASN 63 H ASN 63 18.216 9.259 -34.018 433 HA ASN 63 HA ASN 63 17.807 8.674 -36.177 434 1HB ASN 63 1HB ASN 63 19.819 10.648 -36.350 435 2HB ASN 63 2HB ASN 63 20.284 9.363 -37.461 436 2HD2 ASN 63 1HD2 ASN 63 17.660 11.521 -36.559 437 1HD2 ASN 63 2HD2 ASN 63 16.925 11.577 -38.121 438 H GLY 64 H GLY 64 19.861 7.217 -34.229 439 1HA GLY 64 1HA GLY 64 20.199 4.841 -34.464 440 2HA GLY 64 2HA GLY 64 20.431 5.091 -36.187 441 H ARG 65 H ARG 65 22.093 7.564 -35.250 442 HA ARG 65 HA ARG 65 24.592 6.052 -35.079 443 1HB ARG 65 2HB ARG 65 24.413 7.726 -36.863 444 2HB ARG 65 1HB ARG 65 25.691 8.138 -35.728 445 1HG ARG 65 1HG ARG 65 23.394 9.404 -34.762 446 2HG ARG 65 2HG ARG 65 24.793 10.147 -35.539 447 1HD ARG 65 1HD ARG 65 22.832 8.922 -37.361 448 2HD ARG 65 2HD ARG 65 22.258 10.329 -36.467 449 HE ARG 65 HE ARG 65 24.675 11.102 -37.458 450 1HH1 ARG 65 1HH1 ARG 65 21.754 9.815 -38.845 451 2HH1 ARG 65 2HH1 ARG 65 21.960 10.628 -40.361 452 1HH2 ARG 65 1HH2 ARG 65 24.959 12.178 -39.450 453 2HH2 ARG 65 2HH2 ARG 65 23.783 11.972 -40.705 454 H THR 66 H THR 66 26.262 7.928 -33.955 455 HA THR 66 HA THR 66 25.147 8.512 -31.308 456 HB THR 66 HB THR 66 27.828 7.160 -31.599 457 HG1 THR 66 HG1 THR 66 25.386 6.052 -31.810 458 1HG2 THR 66 1HG2 THR 66 27.055 8.615 -29.558 459 2HG2 THR 66 2HG2 THR 66 26.135 7.170 -29.140 460 3HG2 THR 66 3HG2 THR 66 27.889 7.084 -29.297 461 H PHE 67 H PHE 67 26.216 10.168 -30.168 462 HA PHE 67 HA PHE 67 28.347 11.578 -31.608 463 1HB PHE 67 2HB PHE 67 27.263 13.649 -31.581 464 2HB PHE 67 1HB PHE 67 26.099 13.133 -30.364 465 HD1 PHE 67 HD1 PHE 67 24.582 11.095 -31.138 466 HD2 PHE 67 HD2 PHE 67 26.524 13.843 -33.743 467 HE1 PHE 67 HE1 PHE 67 22.962 10.557 -32.908 468 HE2 PHE 67 HE2 PHE 67 24.905 13.310 -35.518 469 HZ PHE 67 HZ PHE 67 23.121 11.664 -35.101 470 H TYR 68 H TYR 68 30.000 11.898 -30.311 471 HA TYR 68 HA TYR 68 29.685 11.666 -27.438 472 1HB TYR 68 1HB TYR 68 31.938 11.568 -29.369 473 2HB TYR 68 2HB TYR 68 32.316 12.129 -27.746 474 HD1 TYR 68 HD1 TYR 68 30.619 9.331 -29.527 475 HD2 TYR 68 HD2 TYR 68 32.782 10.583 -26.085 476 HE1 TYR 68 HE1 TYR 68 30.726 7.003 -28.756 477 HE2 TYR 68 HE2 TYR 68 32.901 8.259 -25.304 478 HH TYR 68 HH TYR 68 31.834 5.590 -27.299 479 H SER 69 H SER 69 28.879 14.106 -29.163 480 HA SER 69 HA SER 69 29.376 16.062 -27.213 481 1HB SER 69 1HB SER 69 31.662 15.706 -28.562 482 2HB SER 69 2HB SER 69 30.884 16.858 -29.648 483 HG SER 69 HG SER 69 32.179 17.421 -27.469 484 H CYS 70 H CYS 70 29.451 18.344 -28.871 485 HA CYS 70 HA CYS 70 26.739 18.690 -29.441 486 1HB CYS 70 2HB CYS 70 27.289 20.844 -30.123 487 2HB CYS 70 1HB CYS 70 28.824 20.345 -30.818 488 H THR 71 H THR 71 25.663 19.024 -31.457 489 HA THR 71 HA THR 71 26.895 18.291 -33.931 490 HB THR 71 HB THR 71 26.474 16.056 -32.756 491 HG1 THR 71 HG1 THR 71 26.792 16.252 -35.029 492 1HG2 THR 71 1HG2 THR 71 23.944 17.114 -32.381 493 2HG2 THR 71 2HG2 THR 71 23.724 15.968 -33.705 494 3HG2 THR 71 3HG2 THR 71 24.407 15.426 -32.171 495 H THR 72 H THR 72 25.439 18.447 -35.744 496 HA THR 72 HA THR 72 22.904 19.816 -35.132 497 HB THR 72 HB THR 72 23.570 20.991 -37.472 498 HG1 THR 72 HG1 THR 72 25.905 21.642 -36.869 499 1HG2 THR 72 1HG2 THR 72 23.715 21.720 -34.640 500 2HG2 THR 72 2HG2 THR 72 24.733 22.713 -35.684 501 3HG2 THR 72 3HG2 THR 72 23.000 22.591 -35.998 502 H GLU 73 H GLU 73 22.161 17.537 -35.499 503 HA GLU 73 HA GLU 73 21.850 16.990 -38.381 504 1HB GLU 73 1HB GLU 73 22.145 15.119 -36.042 505 2HB GLU 73 2HB GLU 73 21.476 14.584 -37.579 506 1HG GLU 73 1HG GLU 73 24.238 15.648 -37.053 507 2HG GLU 73 2HG GLU 73 23.784 14.014 -37.534 508 H GLY 74 H GLY 74 20.202 18.385 -36.092 509 1HA GLY 74 1HA GLY 74 17.651 17.624 -37.171 510 2HA GLY 74 2HA GLY 74 17.877 17.083 -35.519 511 H ARG 75 H ARG 75 18.521 20.059 -37.360 512 HA ARG 75 HA ARG 75 16.959 21.541 -35.364 513 1HB ARG 75 1HB ARG 75 18.673 23.384 -35.522 514 2HB ARG 75 2HB ARG 75 19.200 21.937 -34.672 515 1HG ARG 75 1HG ARG 75 19.801 22.380 -37.576 516 2HG ARG 75 2HG ARG 75 20.837 23.008 -36.292 517 1HD ARG 75 1HD ARG 75 21.810 21.024 -36.078 518 2HD ARG 75 2HD ARG 75 20.250 20.279 -35.734 519 HE ARG 75 HE ARG 75 20.431 19.301 -37.776 520 1HH1 ARG 75 1HH1 ARG 75 22.020 22.393 -37.911 521 2HH1 ARG 75 2HH1 ARG 75 22.459 22.243 -39.580 522 1HH2 ARG 75 1HH2 ARG 75 21.010 19.084 -39.971 523 2HH2 ARG 75 2HH2 ARG 75 21.887 20.358 -40.750 524 H GLN 76 H GLN 76 16.640 23.894 -36.182 525 HA GLN 76 HA GLN 76 16.010 23.770 -39.058 526 1HB GLN 76 1HB GLN 76 14.049 25.085 -38.648 527 2HB GLN 76 2HB GLN 76 14.040 23.737 -37.520 528 1HG GLN 76 1HG GLN 76 14.612 25.105 -35.705 529 2HG GLN 76 2HG GLN 76 15.099 26.435 -36.755 530 2HE2 GLN 76 1HE2 GLN 76 12.196 24.414 -36.776 531 1HE2 GLN 76 2HE2 GLN 76 11.075 25.713 -36.577 532 H ASP 77 H ASP 77 18.509 24.681 -38.205 533 HA ASP 77 HA ASP 77 18.545 27.272 -39.395 534 1HB ASP 77 1HB ASP 77 17.995 27.406 -36.746 535 2HB ASP 77 2HB ASP 77 19.755 27.442 -36.705 536 H GLY 78 H GLY 78 20.515 25.453 -37.058 537 1HA GLY 78 1HA GLY 78 22.377 24.172 -38.293 538 2HA GLY 78 2HA GLY 78 22.805 25.768 -38.883 539 H HIS 79 H HIS 79 21.629 25.277 -35.624 540 HA HIS 79 HA HIS 79 24.261 26.097 -34.625 541 1HB HIS 79 1HB HIS 79 21.815 25.994 -32.904 542 2HB HIS 79 2HB HIS 79 23.194 27.084 -32.816 543 HD1 HIS 79 HD1 HIS 79 20.048 27.819 -32.993 544 HD2 HIS 79 HD2 HIS 79 22.893 28.131 -36.003 545 HE1 HIS 79 HE1 HIS 79 19.145 29.530 -34.596 546 HE2 HIS 79 HE2 HIS 79 20.937 29.787 -36.347 547 H LEU 80 H LEU 80 25.522 24.689 -33.584 548 HA LEU 80 HA LEU 80 25.066 21.993 -33.369 549 1HB LEU 80 1HB LEU 80 26.807 23.838 -31.747 550 2HB LEU 80 2HB LEU 80 26.795 22.108 -31.477 551 HG LEU 80 HG LEU 80 27.695 21.657 -33.625 552 1HD1 LEU 80 1HD1 LEU 80 26.317 23.288 -34.860 553 2HD1 LEU 80 2HD1 LEU 80 27.368 24.581 -34.281 554 3HD1 LEU 80 3HD1 LEU 80 28.014 23.325 -35.339 555 1HD2 LEU 80 1HD2 LEU 80 29.053 24.064 -32.418 556 2HD2 LEU 80 2HD2 LEU 80 29.358 22.369 -32.036 557 3HD2 LEU 80 3HD2 LEU 80 29.774 23.002 -33.628 558 H TRP 81 H TRP 81 24.325 20.603 -31.754 559 HA TRP 81 HA TRP 81 23.190 21.771 -29.341 560 1HB TRP 81 1HB TRP 81 20.997 20.740 -29.698 561 2HB TRP 81 2HB TRP 81 21.368 21.883 -30.986 562 HD1 TRP 81 HD1 TRP 81 21.516 20.951 -33.433 563 HE1 TRP 81 HE1 TRP 81 21.041 18.655 -34.486 564 HE3 TRP 81 HE3 TRP 81 21.159 18.155 -29.168 565 HZ2 TRP 81 HZ2 TRP 81 20.570 16.008 -33.630 566 HZ3 TRP 81 HZ3 TRP 81 20.692 15.747 -29.373 567 HH2 TRP 81 HH2 TRP 81 20.404 14.698 -31.558 568 H CYS 82 H CYS 82 22.321 20.069 -27.865 569 HA CYS 82 HA CYS 82 23.494 17.423 -28.237 570 1HB CYS 82 1HB CYS 82 24.569 17.462 -26.037 571 2HB CYS 82 2HB CYS 82 25.228 18.723 -27.075 572 H SER 83 H SER 83 22.676 15.845 -26.680 573 HA SER 83 HA SER 83 19.902 16.408 -26.019 574 1HB SER 83 1HB SER 83 20.045 14.320 -27.029 575 2HB SER 83 2HB SER 83 21.565 13.923 -26.229 576 HG SER 83 HG SER 83 20.357 12.886 -24.865 577 H THR 84 H THR 84 19.233 16.959 -24.040 578 HA THR 84 HA THR 84 21.138 16.879 -21.847 579 HB THR 84 HB THR 84 19.495 18.187 -20.590 580 HG1 THR 84 HG1 THR 84 17.869 17.469 -22.757 581 1HG2 THR 84 1HG2 THR 84 21.061 19.342 -22.102 582 2HG2 THR 84 2HG2 THR 84 19.866 19.244 -23.394 583 3HG2 THR 84 3HG2 THR 84 19.530 20.204 -21.953 584 H THR 85 H THR 85 19.530 14.525 -23.049 585 HA THR 85 HA THR 85 19.220 13.132 -20.577 586 HB THR 85 HB THR 85 16.827 14.259 -21.902 587 HG1 THR 85 HG1 THR 85 17.866 13.936 -19.428 588 1HG2 THR 85 1HG2 THR 85 17.003 11.369 -21.145 589 2HG2 THR 85 2HG2 THR 85 15.500 12.256 -20.884 590 3HG2 THR 85 3HG2 THR 85 16.174 12.123 -22.508 591 H SER 86 H SER 86 19.891 11.139 -20.956 592 HA SER 86 HA SER 86 20.760 10.060 -23.259 593 1HB SER 86 1HB SER 86 19.686 7.821 -22.053 594 2HB SER 86 2HB SER 86 21.253 8.533 -21.674 595 HG SER 86 HG SER 86 19.483 8.179 -19.950 596 H ASN 87 H ASN 87 17.450 9.712 -22.028 597 HA ASN 87 HA ASN 87 16.561 8.415 -24.447 598 1HB ASN 87 1HB ASN 87 15.621 8.636 -21.787 599 2HB ASN 87 2HB ASN 87 14.389 9.356 -22.820 600 2HD2 ASN 87 1HD2 ASN 87 12.881 7.789 -22.676 601 1HD2 ASN 87 2HD2 ASN 87 13.097 6.178 -23.260 602 H TYR 88 H TYR 88 17.417 10.358 -25.692 603 HA TYR 88 HA TYR 88 15.894 12.777 -25.609 604 1HB TYR 88 1HB TYR 88 18.077 13.079 -26.395 605 2HB TYR 88 2HB TYR 88 17.999 11.664 -27.441 606 HD1 TYR 88 HD1 TYR 88 16.675 11.776 -29.557 607 HD2 TYR 88 HD2 TYR 88 17.412 15.219 -27.169 608 HE1 TYR 88 HE1 TYR 88 16.092 13.216 -31.463 609 HE2 TYR 88 HE2 TYR 88 16.829 16.667 -29.066 610 HH TYR 88 HH TYR 88 16.663 15.627 -32.192 611 H GLU 89 H GLU 89 15.617 9.730 -27.197 612 HA GLU 89 HA GLU 89 13.922 10.589 -29.323 613 1HB GLU 89 1HB GLU 89 13.836 7.795 -28.269 614 2HB GLU 89 2HB GLU 89 13.783 8.360 -29.932 615 1HG GLU 89 1HG GLU 89 16.261 9.148 -29.247 616 2HG GLU 89 2HG GLU 89 16.085 7.731 -28.212 617 H GLN 90 H GLN 90 13.485 10.071 -26.001 618 HA GLN 90 HA GLN 90 10.597 9.682 -26.261 619 1HB GLN 90 1HB GLN 90 11.312 8.195 -24.650 620 2HB GLN 90 2HB GLN 90 12.588 9.261 -24.081 621 1HG GLN 90 1HG GLN 90 10.796 8.948 -22.433 622 2HG GLN 90 2HG GLN 90 10.994 10.632 -22.915 623 2HE2 GLN 90 1HE2 GLN 90 9.148 7.738 -23.811 624 1HE2 GLN 90 2HE2 GLN 90 7.666 8.569 -24.122 625 H ASP 91 H ASP 91 12.906 11.783 -24.569 626 HA ASP 91 HA ASP 91 10.837 13.702 -23.935 627 1HB ASP 91 1HB ASP 91 13.228 13.043 -22.751 628 2HB ASP 91 2HB ASP 91 13.623 14.554 -23.565 629 H GLN 92 H GLN 92 13.640 13.490 -26.077 630 HA GLN 92 HA GLN 92 14.187 14.617 -27.976 631 1HB GLN 92 1HB GLN 92 11.607 14.259 -28.293 632 2HB GLN 92 2HB GLN 92 11.528 15.993 -28.012 633 1HG GLN 92 1HG GLN 92 12.003 16.332 -30.139 634 2HG GLN 92 2HG GLN 92 13.577 15.578 -29.893 635 2HE2 GLN 92 1HE2 GLN 92 13.776 13.315 -30.280 636 1HE2 GLN 92 2HE2 GLN 92 12.707 12.518 -31.377 637 H LYS 93 H LYS 93 14.336 15.826 -25.202 638 HA LYS 93 HA LYS 93 14.304 18.671 -25.878 639 1HB LYS 93 1HB LYS 93 13.881 19.083 -23.711 640 2HB LYS 93 2HB LYS 93 13.512 17.371 -23.608 641 1HG LYS 93 1HG LYS 93 16.284 18.389 -23.119 642 2HG LYS 93 2HG LYS 93 15.060 18.394 -21.854 643 1HD LYS 93 1HD LYS 93 14.825 15.865 -22.868 644 2HD LYS 93 2HD LYS 93 16.559 16.161 -23.010 645 1HE LYS 93 1HE LYS 93 15.581 15.136 -20.820 646 2HE LYS 93 2HE LYS 93 16.845 16.362 -20.730 647 1HZ LYS 93 1HZ LYS 93 14.036 17.213 -20.681 648 2HZ LYS 93 2HZ LYS 93 14.707 16.550 -19.278 649 3HZ LYS 93 3HZ LYS 93 15.391 17.934 -19.967 650 H TYR 94 H TYR 94 16.061 19.464 -26.754 651 HA TYR 94 HA TYR 94 18.683 18.543 -25.789 652 1HB TYR 94 1HB TYR 94 19.566 18.591 -27.990 653 2HB TYR 94 2HB TYR 94 18.029 17.742 -28.112 654 HD1 TYR 94 HD1 TYR 94 19.408 21.208 -28.421 655 HD2 TYR 94 HD2 TYR 94 16.577 18.349 -29.807 656 HE1 TYR 94 HE1 TYR 94 18.679 22.784 -30.170 657 HE2 TYR 94 HE2 TYR 94 15.843 19.912 -31.555 658 HH TYR 94 HH TYR 94 16.694 21.844 -32.773 659 H SER 95 H SER 95 20.444 20.088 -26.188 660 HA SER 95 HA SER 95 19.516 22.882 -26.038 661 1HB SER 95 2HB SER 95 20.682 23.194 -24.138 662 2HB SER 95 1HB SER 95 22.124 22.452 -24.834 663 HG SER 95 HG SER 95 21.489 21.193 -23.124 664 H PHE 96 H PHE 96 21.408 24.433 -26.598 665 HA PHE 96 HA PHE 96 22.510 23.477 -29.120 666 1HB PHE 96 1HB PHE 96 22.049 26.194 -27.952 667 2HB PHE 96 2HB PHE 96 23.180 25.990 -29.285 668 HD1 PHE 96 HD1 PHE 96 21.776 23.824 -30.780 669 HD2 PHE 96 HD2 PHE 96 20.310 27.388 -28.977 670 HE1 PHE 96 HE1 PHE 96 19.907 23.848 -32.371 671 HE2 PHE 96 HE2 PHE 96 18.431 27.418 -30.569 672 HZ PHE 96 HZ PHE 96 18.231 25.643 -32.265 673 H CYS 97 H CYS 97 24.719 24.609 -29.653 674 HA CYS 97 HA CYS 97 26.533 24.400 -27.364 675 1HB CYS 97 1HB CYS 97 26.268 22.433 -29.423 676 2HB CYS 97 2HB CYS 97 27.844 23.200 -29.578 677 H THR 98 H THR 98 28.029 25.945 -27.343 678 HA THR 98 HA THR 98 28.026 28.055 -29.171 679 HB THR 98 HB THR 98 30.185 28.713 -28.065 680 HG1 THR 98 HG1 THR 98 29.699 26.408 -26.465 681 1HG2 THR 98 1HG2 THR 98 27.890 27.971 -26.251 682 2HG2 THR 98 2HG2 THR 98 29.167 29.121 -25.859 683 3HG2 THR 98 3HG2 THR 98 28.045 29.465 -27.176 684 H ASP 99 H ASP 99 30.198 28.806 -30.204 685 HA ASP 99 HA ASP 99 30.732 27.480 -32.475 686 1HB ASP 99 1HB ASP 99 32.886 28.853 -30.854 687 2HB ASP 99 2HB ASP 99 32.876 28.612 -32.598 688 H HIS 100 H HIS 100 32.463 26.930 -29.416 689 HA HIS 100 HA HIS 100 32.824 24.160 -30.011 690 1HB HIS 100 1HB HIS 100 34.744 25.798 -31.118 691 2HB HIS 100 2HB HIS 100 35.487 25.302 -29.601 692 HD1 HIS 100 HD1 HIS 100 33.845 23.705 -32.634 693 HD2 HIS 100 HD2 HIS 100 36.671 22.863 -29.705 694 HE1 HIS 100 HE1 HIS 100 34.824 21.476 -33.265 695 HE2 HIS 100 HE2 HIS 100 36.471 20.949 -31.433 696 H THR 101 H THR 101 35.016 23.649 -28.347 697 HA THR 101 HA THR 101 35.312 23.090 -26.145 698 HB THR 101 HB THR 101 35.710 24.990 -24.664 699 HG1 THR 101 HG1 THR 101 35.310 27.137 -25.681 700 1HG2 THR 101 1HG2 THR 101 36.903 24.623 -27.239 701 2HG2 THR 101 2HG2 THR 101 36.906 26.340 -26.839 702 3HG2 THR 101 3HG2 THR 101 37.651 25.179 -25.741 No H/Q in entry = 702 Start of MODEL 43 1 H1 TYR 1 H1 TYR 1 48.544 6.315 -42.493 2 H2 TYR 1 H2 TYR 1 49.584 7.306 -43.386 3 H3 TYR 1 H3 TYR 1 47.921 7.618 -43.375 4 HA TYR 1 HA TYR 1 47.768 6.449 -45.230 5 1HB TYR 1 1HB TYR 1 50.129 6.791 -45.635 6 2HB TYR 1 2HB TYR 1 50.550 5.487 -44.529 7 HD1 TYR 1 HD1 TYR 1 48.134 5.756 -47.375 8 HD2 TYR 1 HD2 TYR 1 51.472 3.724 -45.691 9 HE1 TYR 1 HE1 TYR 1 48.105 4.165 -49.249 10 HE2 TYR 1 HE2 TYR 1 51.453 2.128 -47.562 11 HH TYR 1 HH TYR 1 49.505 1.291 -49.247 12 H GLY 2 H GLY 2 46.078 5.139 -44.698 13 1HA GLY 2 1HA GLY 2 45.249 2.918 -44.697 14 2HA GLY 2 2HA GLY 2 46.765 2.379 -43.992 15 H HIS 3 H HIS 3 46.339 1.500 -42.080 16 HA HIS 3 HA HIS 3 44.099 2.156 -40.486 17 1HB HIS 3 1HB HIS 3 46.560 0.498 -40.104 18 2HB HIS 3 2HB HIS 3 45.551 0.867 -38.709 19 HD1 HIS 3 HD1 HIS 3 44.683 -0.237 -42.254 20 HD2 HIS 3 HD2 HIS 3 43.975 -1.281 -38.295 21 HE1 HIS 3 HE1 HIS 3 43.114 -2.200 -42.347 22 HE2 HIS 3 HE2 HIS 3 42.787 -2.881 -39.943 23 H CYS 4 H CYS 4 44.242 2.902 -38.201 24 HA CYS 4 HA CYS 4 46.159 5.129 -37.990 25 1HB CYS 4 1HB CYS 4 44.249 5.782 -36.186 26 2HB CYS 4 2HB CYS 4 44.228 6.297 -37.866 27 H VAL 5 H VAL 5 47.663 4.959 -36.483 28 HA VAL 5 HA VAL 5 47.181 3.145 -34.210 29 HB VAL 5 HB VAL 5 49.866 3.950 -35.333 30 1HG1 VAL 5 1HG1 VAL 5 49.006 1.956 -33.251 31 2HG1 VAL 5 2HG1 VAL 5 50.602 1.941 -34.000 32 3HG1 VAL 5 3HG1 VAL 5 50.085 3.336 -33.055 33 1HG2 VAL 5 1HG2 VAL 5 48.640 2.644 -36.982 34 2HG2 VAL 5 2HG2 VAL 5 49.961 1.697 -36.297 35 3HG2 VAL 5 3HG2 VAL 5 48.303 1.406 -35.771 36 H THR 6 H THR 6 47.688 3.818 -32.146 37 HA THR 6 HA THR 6 47.646 6.651 -31.700 38 HB THR 6 HB THR 6 47.672 6.072 -29.302 39 HG1 THR 6 HG1 THR 6 47.460 3.649 -28.975 40 1HG2 THR 6 1HG2 THR 6 45.682 5.459 -31.188 41 2HG2 THR 6 2HG2 THR 6 45.710 4.109 -30.054 42 3HG2 THR 6 3HG2 THR 6 45.470 5.752 -29.461 43 H ASP 7 H ASP 7 49.788 4.314 -30.099 44 HA ASP 7 HA ASP 7 52.082 6.015 -30.788 45 1HB ASP 7 1HB ASP 7 51.103 5.240 -28.083 46 2HB ASP 7 2HB ASP 7 52.845 5.298 -28.341 47 H SER 8 H SER 8 51.083 2.924 -29.367 48 HA SER 8 HA SER 8 52.476 1.294 -31.122 49 1HB SER 8 1HB SER 8 54.575 2.073 -30.391 50 2HB SER 8 2HB SER 8 54.068 2.122 -28.703 51 HG SER 8 HG SER 8 54.521 0.069 -28.505 52 H GLY 9 H GLY 9 50.174 0.673 -30.473 53 1HA GLY 9 1HA GLY 9 50.292 -1.722 -28.969 54 2HA GLY 9 2HA GLY 9 49.529 -0.462 -28.016 55 H VAL 10 H VAL 10 47.960 0.873 -29.648 56 HA VAL 10 HA VAL 10 46.062 -1.159 -30.586 57 HB VAL 10 HB VAL 10 45.560 1.755 -29.970 58 1HG1 VAL 10 1HG1 VAL 10 44.021 -0.194 -31.373 59 2HG1 VAL 10 2HG1 VAL 10 43.208 0.199 -29.859 60 3HG1 VAL 10 3HG1 VAL 10 43.614 1.481 -31.000 61 1HG2 VAL 10 1HG2 VAL 10 45.563 -0.676 -28.302 62 2HG2 VAL 10 2HG2 VAL 10 45.810 1.011 -27.852 63 3HG2 VAL 10 3HG2 VAL 10 44.176 0.396 -28.101 64 H VAL 11 H VAL 11 45.534 -1.344 -32.674 65 HA VAL 11 HA VAL 11 46.529 0.716 -34.530 66 HB VAL 11 HB VAL 11 46.192 -2.250 -34.984 67 1HG1 VAL 11 1HG1 VAL 11 46.071 -0.114 -36.854 68 2HG1 VAL 11 2HG1 VAL 11 47.582 -0.988 -37.107 69 3HG1 VAL 11 3HG1 VAL 11 46.045 -1.851 -37.160 70 1HG2 VAL 11 1HG2 VAL 11 48.333 -0.729 -33.960 71 2HG2 VAL 11 2HG2 VAL 11 48.329 -2.436 -34.407 72 3HG2 VAL 11 3HG2 VAL 11 48.784 -1.213 -35.595 73 H TYR 12 H TYR 12 44.605 1.921 -34.461 74 HA TYR 12 HA TYR 12 42.039 0.805 -34.985 75 1HB TYR 12 1HB TYR 12 43.046 3.648 -35.212 76 2HB TYR 12 2HB TYR 12 41.352 3.176 -35.309 77 HD1 TYR 12 HD1 TYR 12 40.368 1.963 -33.260 78 HD2 TYR 12 HD2 TYR 12 44.014 4.148 -33.174 79 HE1 TYR 12 HE1 TYR 12 40.185 2.151 -30.814 80 HE2 TYR 12 HE2 TYR 12 43.846 4.341 -30.724 81 HH TYR 12 HH TYR 12 42.343 2.616 -28.840 82 H SER 13 H SER 13 40.870 2.307 -36.887 83 HA SER 13 HA SER 13 42.403 2.010 -39.355 84 1HB SER 13 1HB SER 13 39.832 0.587 -38.711 85 2HB SER 13 2HB SER 13 40.256 0.974 -40.378 86 HG SER 13 HG SER 13 41.261 -0.885 -40.213 87 H VAL 14 H VAL 14 42.142 3.708 -40.634 88 HA VAL 14 HA VAL 14 41.180 6.084 -40.200 89 HB VAL 14 HB VAL 14 42.092 5.715 -42.345 90 1HG1 VAL 14 1HG1 VAL 14 40.100 3.572 -42.473 91 2HG1 VAL 14 2HG1 VAL 14 40.319 4.454 -43.984 92 3HG1 VAL 14 3HG1 VAL 14 41.700 3.682 -43.206 93 1HG2 VAL 14 1HG2 VAL 14 39.856 7.242 -42.006 94 2HG2 VAL 14 2HG2 VAL 14 40.879 7.248 -43.443 95 3HG2 VAL 14 3HG2 VAL 14 39.418 6.260 -43.404 96 H GLY 15 H GLY 15 39.459 6.042 -38.708 97 1HA GLY 15 1HA GLY 15 37.150 6.901 -38.815 98 2HA GLY 15 2HA GLY 15 36.814 5.603 -39.952 99 H MET 16 H MET 16 38.802 5.103 -37.127 100 HA MET 16 HA MET 16 36.606 3.561 -35.909 101 1HB MET 16 1HB MET 16 38.472 2.189 -36.913 102 2HB MET 16 2HB MET 16 39.546 2.899 -35.716 103 1HG MET 16 1HG MET 16 38.708 1.662 -34.025 104 2HG MET 16 2HG MET 16 37.079 1.655 -34.689 105 1HE MET 16 1HE MET 16 40.332 0.326 -34.260 106 2HE MET 16 2HE MET 16 39.904 -1.384 -34.215 107 3HE MET 16 3HE MET 16 40.696 -0.710 -35.640 108 H GLN 17 H GLN 17 36.865 6.195 -35.241 109 HA GLN 17 HA GLN 17 38.533 7.068 -33.301 110 1HB GLN 17 1HB GLN 17 36.352 8.120 -32.256 111 2HB GLN 17 2HB GLN 17 36.950 8.647 -33.823 112 1HG GLN 17 1HG GLN 17 34.965 8.190 -34.673 113 2HG GLN 17 2HG GLN 17 35.266 6.483 -34.352 114 2HE2 GLN 17 1HE2 GLN 17 34.935 5.978 -31.893 115 1HE2 GLN 17 2HE2 GLN 17 33.436 6.542 -31.245 116 H TRP 18 H TRP 18 38.047 7.336 -30.900 117 HA TRP 18 HA TRP 18 36.719 5.100 -29.644 118 1HB TRP 18 1HB TRP 18 38.767 4.353 -28.437 119 2HB TRP 18 2HB TRP 18 38.848 4.078 -30.172 120 HD1 TRP 18 HD1 TRP 18 40.473 6.080 -27.385 121 HE1 TRP 18 HE1 TRP 18 42.588 7.207 -28.294 122 HE3 TRP 18 HE3 TRP 18 39.865 5.062 -32.361 123 HZ2 TRP 18 HZ2 TRP 18 43.849 7.619 -30.806 124 HZ3 TRP 18 HZ3 TRP 18 41.566 5.857 -33.944 125 HH2 TRP 18 HH2 TRP 18 43.513 7.107 -33.178 126 H LEU 19 H LEU 19 37.986 5.315 -27.131 127 HA LEU 19 HA LEU 19 37.504 8.112 -26.369 128 1HB LEU 19 1HB LEU 19 36.280 5.619 -25.255 129 2HB LEU 19 2HB LEU 19 36.558 6.986 -24.194 130 HG LEU 19 HG LEU 19 34.285 7.049 -24.965 131 1HD1 LEU 19 1HD1 LEU 19 35.735 9.174 -24.854 132 2HD1 LEU 19 2HD1 LEU 19 35.649 9.141 -26.615 133 3HD1 LEU 19 3HD1 LEU 19 34.170 9.262 -25.662 134 1HD2 LEU 19 1HD2 LEU 19 35.448 6.148 -27.416 135 2HD2 LEU 19 2HD2 LEU 19 33.752 6.201 -26.940 136 3HD2 LEU 19 3HD2 LEU 19 34.495 7.603 -27.710 137 H LYS 20 H LYS 20 39.581 8.663 -25.947 138 HA LYS 20 HA LYS 20 41.336 6.880 -24.508 139 1HB LYS 20 2HB LYS 20 42.161 8.386 -26.288 140 2HB LYS 20 1HB LYS 20 43.009 8.600 -24.762 141 1HG LYS 20 1HG LYS 20 40.888 10.382 -25.929 142 2HG LYS 20 2HG LYS 20 41.544 10.556 -24.300 143 1HD LYS 20 1HD LYS 20 43.561 10.352 -26.420 144 2HD LYS 20 2HD LYS 20 42.537 11.787 -26.515 145 1HE LYS 20 1HE LYS 20 43.075 12.293 -24.162 146 2HE LYS 20 2HE LYS 20 44.141 10.890 -24.120 147 1HZ LYS 20 1HZ LYS 20 44.824 12.493 -26.325 148 2HZ LYS 20 2HZ LYS 20 44.749 13.479 -24.953 149 3HZ LYS 20 3HZ LYS 20 45.758 12.120 -24.965 150 H THR 21 H THR 21 42.481 7.544 -22.544 151 HA THR 21 HA THR 21 40.889 9.295 -20.797 152 HB THR 21 HB THR 21 42.144 6.910 -19.550 153 HG1 THR 21 HG1 THR 21 40.970 5.549 -20.649 154 1HG2 THR 21 1HG2 THR 21 39.774 8.675 -19.100 155 2HG2 THR 21 2HG2 THR 21 39.816 7.068 -18.374 156 3HG2 THR 21 3HG2 THR 21 41.076 8.241 -17.993 157 H GLN 22 H GLN 22 42.052 10.154 -18.974 158 HA GLN 22 HA GLN 22 44.970 10.180 -19.373 159 1HB GLN 22 2HB GLN 22 45.067 12.472 -18.961 160 2HB GLN 22 1HB GLN 22 43.501 12.495 -18.161 161 1HG GLN 22 1HG GLN 22 43.368 11.679 -20.956 162 2HG GLN 22 2HG GLN 22 42.403 12.857 -20.067 163 2HE2 GLN 22 1HE2 GLN 22 43.237 14.985 -19.811 164 1HE2 GLN 22 2HE2 GLN 22 44.368 15.625 -20.949 165 H GLY 23 H GLY 23 42.898 8.776 -17.488 166 1HA GLY 23 1HA GLY 23 43.544 7.724 -15.454 167 2HA GLY 23 2HA GLY 23 44.582 9.096 -15.106 168 H ASN 24 H ASN 24 43.124 11.240 -15.121 169 HA ASN 24 HA ASN 24 40.921 10.693 -13.241 170 1HB ASN 24 1HB ASN 24 42.884 12.983 -13.357 171 2HB ASN 24 2HB ASN 24 41.416 13.036 -12.385 172 2HD2 ASN 24 1HD2 ASN 24 42.884 13.303 -10.596 173 1HD2 ASN 24 2HD2 ASN 24 43.615 11.912 -9.878 174 H LYS 25 H LYS 25 41.333 11.414 -16.336 175 HA LYS 25 HA LYS 25 38.852 12.946 -16.453 176 1HB LYS 25 1HB LYS 25 40.403 14.023 -18.521 177 2HB LYS 25 2HB LYS 25 39.866 14.840 -17.060 178 1HG LYS 25 1HG LYS 25 42.315 13.179 -16.880 179 2HG LYS 25 2HG LYS 25 42.416 14.708 -17.756 180 1HD LYS 25 1HD LYS 25 41.042 15.413 -15.492 181 2HD LYS 25 2HD LYS 25 42.168 14.195 -14.888 182 1HE LYS 25 1HE LYS 25 43.936 15.546 -15.144 183 2HE LYS 25 2HE LYS 25 43.395 16.098 -16.729 184 1HZ LYS 25 1HZ LYS 25 41.718 17.478 -15.431 185 2HZ LYS 25 2HZ LYS 25 42.671 17.161 -14.068 186 3HZ LYS 25 3HZ LYS 25 43.330 17.985 -15.390 187 H GLN 26 H GLN 26 38.676 13.346 -19.148 188 HA GLN 26 HA GLN 26 39.097 10.724 -20.386 189 1HB GLN 26 1HB GLN 26 36.526 11.959 -19.700 190 2HB GLN 26 2HB GLN 26 36.641 11.447 -21.378 191 1HG GLN 26 1HG GLN 26 37.649 9.286 -20.052 192 2HG GLN 26 2HG GLN 26 36.407 9.862 -18.942 193 2HE2 GLN 26 1HE2 GLN 26 37.061 8.526 -22.075 194 1HE2 GLN 26 2HE2 GLN 26 35.428 8.127 -22.473 195 H MET 27 H MET 27 38.356 10.887 -22.797 196 HA MET 27 HA MET 27 38.482 13.411 -24.086 197 1HB MET 27 1HB MET 27 41.000 12.118 -23.430 198 2HB MET 27 2HB MET 27 40.822 12.349 -25.165 199 1HG MET 27 1HG MET 27 40.023 14.760 -24.183 200 2HG MET 27 2HG MET 27 41.280 14.293 -23.040 201 1HE MET 27 1HE MET 27 41.826 16.684 -24.040 202 2HE MET 27 2HE MET 27 43.455 16.052 -23.804 203 3HE MET 27 3HE MET 27 43.033 16.859 -25.314 204 H LEU 28 H LEU 28 38.274 13.244 -26.358 205 HA LEU 28 HA LEU 28 37.405 10.570 -27.264 206 1HB LEU 28 1HB LEU 28 36.092 12.988 -27.315 207 2HB LEU 28 2HB LEU 28 36.724 12.852 -28.947 208 HG LEU 28 HG LEU 28 35.717 10.420 -28.772 209 1HD1 LEU 28 1HD1 LEU 28 35.070 11.077 -26.335 210 2HD1 LEU 28 2HD1 LEU 28 33.697 11.854 -27.119 211 3HD1 LEU 28 3HD1 LEU 28 33.969 10.123 -27.327 212 1HD2 LEU 28 1HD2 LEU 28 35.047 12.707 -30.077 213 2HD2 LEU 28 2HD2 LEU 28 34.203 11.170 -30.259 214 3HD2 LEU 28 3HD2 LEU 28 33.576 12.396 -29.157 215 H CYS 29 H CYS 29 38.670 9.563 -28.739 216 HA CYS 29 HA CYS 29 40.440 11.269 -30.359 217 1HB CYS 29 1HB CYS 29 40.964 8.743 -28.902 218 2HB CYS 29 2HB CYS 29 41.716 8.911 -30.484 219 H THR 30 H THR 30 40.228 11.193 -32.482 220 HA THR 30 HA THR 30 38.912 8.855 -33.699 221 HB THR 30 HB THR 30 38.341 11.733 -34.441 222 HG1 THR 30 HG1 THR 30 36.609 11.564 -33.210 223 1HG2 THR 30 1HG2 THR 30 37.433 9.097 -35.571 224 2HG2 THR 30 2HG2 THR 30 36.506 10.580 -35.800 225 3HG2 THR 30 3HG2 THR 30 38.156 10.467 -36.416 226 H CYS 31 H CYS 31 39.901 8.093 -35.477 227 HA CYS 31 HA CYS 31 42.157 9.660 -36.508 228 1HB CYS 31 1HB CYS 31 42.956 7.555 -37.495 229 2HB CYS 31 2HB CYS 31 42.756 7.429 -35.750 230 H LEU 32 H LEU 32 41.598 10.909 -38.111 231 HA LEU 32 HA LEU 32 39.443 10.276 -39.901 232 1HB LEU 32 1HB LEU 32 40.520 12.426 -41.056 233 2HB LEU 32 2HB LEU 32 39.467 12.528 -39.659 234 HG LEU 32 HG LEU 32 42.363 12.260 -39.098 235 1HD1 LEU 32 1HD1 LEU 32 41.612 14.091 -41.021 236 2HD1 LEU 32 2HD1 LEU 32 41.653 15.032 -39.530 237 3HD1 LEU 32 3HD1 LEU 32 43.081 14.132 -40.044 238 1HD2 LEU 32 1HD2 LEU 32 39.987 13.008 -37.742 239 2HD2 LEU 32 2HD2 LEU 32 41.622 12.868 -37.098 240 3HD2 LEU 32 3HD2 LEU 32 41.064 14.404 -37.763 241 H GLY 33 H GLY 33 42.286 11.721 -41.297 242 1HA GLY 33 1HA GLY 33 42.981 9.226 -42.663 243 2HA GLY 33 2HA GLY 33 42.466 10.583 -43.650 244 H ASN 34 H ASN 34 43.691 12.653 -42.200 245 HA ASN 34 HA ASN 34 46.397 12.355 -43.155 246 1HB ASN 34 1HB ASN 34 46.540 14.768 -42.183 247 2HB ASN 34 2HB ASN 34 45.566 14.480 -43.620 248 2HD2 ASN 34 1HD2 ASN 34 45.620 15.911 -40.655 249 1HD2 ASN 34 2HD2 ASN 34 43.922 16.088 -40.394 250 H GLY 35 H GLY 35 44.776 11.774 -40.255 251 1HA GLY 35 1HA GLY 35 46.987 10.835 -38.880 252 2HA GLY 35 2HA GLY 35 46.795 12.512 -38.394 253 H VAL 36 H VAL 36 46.309 11.970 -36.270 254 HA VAL 36 HA VAL 36 43.617 10.840 -35.893 255 HB VAL 36 HB VAL 36 46.153 10.160 -34.453 256 1HG1 VAL 36 1HG1 VAL 36 43.569 10.650 -33.161 257 2HG1 VAL 36 2HG1 VAL 36 44.273 9.070 -32.812 258 3HG1 VAL 36 3HG1 VAL 36 45.186 10.538 -32.464 259 1HG2 VAL 36 1HG2 VAL 36 44.040 8.783 -35.921 260 2HG2 VAL 36 2HG2 VAL 36 45.728 8.340 -35.674 261 3HG2 VAL 36 3HG2 VAL 36 44.530 7.976 -34.431 262 H SER 37 H SER 37 42.306 12.343 -35.107 263 HA SER 37 HA SER 37 43.436 14.507 -33.467 264 1HB SER 37 1HB SER 37 42.223 15.184 -35.533 265 2HB SER 37 2HB SER 37 40.769 14.413 -34.901 266 HG SER 37 HG SER 37 40.420 16.237 -33.936 267 H CYS 38 H CYS 38 41.947 15.321 -31.702 268 HA CYS 38 HA CYS 38 40.077 13.384 -30.675 269 1HB CYS 38 1HB CYS 38 42.478 14.048 -28.981 270 2HB CYS 38 2HB CYS 38 41.222 12.876 -28.631 271 H GLN 39 H GLN 39 38.956 14.096 -28.754 272 HA GLN 39 HA GLN 39 38.803 17.019 -28.592 273 1HB GLN 39 1HB GLN 39 36.844 14.893 -28.621 274 2HB GLN 39 2HB GLN 39 36.657 15.878 -27.177 275 1HG GLN 39 1HG GLN 39 35.915 17.660 -28.325 276 2HG GLN 39 2HG GLN 39 37.002 17.372 -29.683 277 2HE2 GLN 39 1HE2 GLN 39 34.183 15.885 -28.117 278 1HE2 GLN 39 2HE2 GLN 39 33.379 15.457 -29.585 279 H GLU 40 H GLU 40 38.272 17.904 -26.401 280 HA GLU 40 HA GLU 40 39.954 16.583 -24.403 281 1HB GLU 40 2HB GLU 40 40.400 18.966 -25.138 282 2HB GLU 40 1HB GLU 40 40.282 18.699 -23.403 283 1HG GLU 40 1HG GLU 40 37.734 19.378 -24.630 284 2HG GLU 40 2HG GLU 40 38.522 20.047 -23.203 285 H THR 41 H THR 41 39.090 15.621 -22.702 286 HA THR 41 HA THR 41 37.717 15.275 -20.886 287 HB THR 41 HB THR 41 35.714 17.237 -21.974 288 HG1 THR 41 HG1 THR 41 36.955 18.869 -21.375 289 1HG2 THR 41 1HG2 THR 41 36.378 16.066 -19.295 290 2HG2 THR 41 2HG2 THR 41 35.520 17.602 -19.417 291 3HG2 THR 41 3HG2 THR 41 34.821 16.143 -20.121 292 H ALA 42 H ALA 42 35.713 16.009 -23.741 293 HA ALA 42 HA ALA 42 34.135 14.793 -24.847 294 1HB ALA 42 3HB ALA 42 35.301 13.065 -25.628 295 2HB ALA 42 2HB ALA 42 34.650 12.135 -24.279 296 3HB ALA 42 1HB ALA 42 36.223 12.918 -24.133 297 H VAL 43 H VAL 43 34.002 15.312 -21.775 298 HA VAL 43 HA VAL 43 31.423 14.051 -21.442 299 HB VAL 43 HB VAL 43 31.856 12.824 -19.476 300 1HG1 VAL 43 1HG1 VAL 43 32.510 11.655 -21.507 301 2HG1 VAL 43 2HG1 VAL 43 34.139 12.319 -21.382 302 3HG1 VAL 43 3HG1 VAL 43 33.551 11.190 -20.162 303 1HG2 VAL 43 1HG2 VAL 43 34.343 14.432 -19.391 304 2HG2 VAL 43 2HG2 VAL 43 33.257 13.952 -18.087 305 3HG2 VAL 43 3HG2 VAL 43 34.419 12.796 -18.736 306 H THR 44 H THR 44 30.599 14.611 -19.096 307 HA THR 44 HA THR 44 31.596 16.803 -17.691 308 HB THR 44 HB THR 44 29.326 18.067 -18.906 309 HG1 THR 44 HG1 THR 44 29.660 17.649 -20.947 310 1HG2 THR 44 1HG2 THR 44 31.166 19.152 -17.641 311 2HG2 THR 44 2HG2 THR 44 32.250 18.811 -18.989 312 3HG2 THR 44 3HG2 THR 44 30.877 19.894 -19.215 313 H GLN 45 H GLN 45 29.253 18.128 -16.949 314 HA GLN 45 HA GLN 45 27.433 16.000 -16.072 315 1HB GLN 45 1HB GLN 45 28.483 18.108 -14.185 316 2HB GLN 45 2HB GLN 45 27.482 16.718 -13.789 317 1HG GLN 45 1HG GLN 45 30.141 16.240 -15.024 318 2HG GLN 45 2HG GLN 45 30.069 16.732 -13.332 319 2HE2 GLN 45 1HE2 GLN 45 30.703 14.159 -14.861 320 1HE2 GLN 45 2HE2 GLN 45 29.797 12.955 -14.015 321 H THR 46 H THR 46 25.507 17.060 -14.848 322 HA THR 46 HA THR 46 24.763 19.577 -16.184 323 HB THR 46 HB THR 46 22.500 18.769 -16.530 324 HG1 THR 46 HG1 THR 46 23.435 16.277 -15.500 325 1HG2 THR 46 1HG2 THR 46 24.823 17.675 -17.806 326 2HG2 THR 46 2HG2 THR 46 23.524 16.482 -17.814 327 3HG2 THR 46 3HG2 THR 46 23.257 18.080 -18.508 328 H TYR 47 H TYR 47 23.054 20.789 -15.088 329 HA TYR 47 HA TYR 47 22.810 20.124 -12.235 330 1HB TYR 47 1HB TYR 47 22.931 22.656 -11.843 331 2HB TYR 47 2HB TYR 47 24.437 21.806 -12.168 332 HD1 TYR 47 HD1 TYR 47 21.754 23.725 -13.923 333 HD2 TYR 47 HD2 TYR 47 25.865 22.633 -13.797 334 HE1 TYR 47 HE1 TYR 47 22.217 25.278 -15.768 335 HE2 TYR 47 HE2 TYR 47 26.339 24.187 -15.643 336 HH TYR 47 HH TYR 47 24.897 25.208 -17.606 337 H GLY 48 H GLY 48 21.485 21.906 -14.980 338 1HA GLY 48 1HA GLY 48 18.822 21.480 -13.903 339 2HA GLY 48 2HA GLY 48 19.310 23.153 -14.103 340 H GLY 49 H GLY 49 18.664 24.064 -15.931 341 1HA GLY 49 1HA GLY 49 18.313 24.326 -18.208 342 2HA GLY 49 2HA GLY 49 18.891 22.684 -18.451 343 H ASN 50 H ASN 50 17.147 22.448 -19.979 344 HA ASN 50 HA ASN 50 14.429 22.591 -19.069 345 1HB ASN 50 1HB ASN 50 15.745 22.398 -21.567 346 2HB ASN 50 2HB ASN 50 14.703 20.985 -21.433 347 2HD2 ASN 50 1HD2 ASN 50 13.709 22.152 -23.294 348 1HD2 ASN 50 2HD2 ASN 50 12.463 23.295 -22.938 349 H SER 51 H SER 51 16.775 20.508 -18.255 350 HA SER 51 HA SER 51 14.900 18.250 -18.034 351 1HB SER 51 1HB SER 51 17.886 18.182 -18.495 352 2HB SER 51 2HB SER 51 16.928 16.765 -18.069 353 HG SER 51 HG SER 51 16.380 18.406 -20.314 354 H ASN 52 H ASN 52 16.786 20.519 -16.388 355 HA ASN 52 HA ASN 52 17.110 20.900 -14.174 356 1HB ASN 52 1HB ASN 52 14.930 20.191 -13.608 357 2HB ASN 52 2HB ASN 52 15.299 18.504 -13.942 358 2HD2 ASN 52 1HD2 ASN 52 15.340 21.021 -11.633 359 1HD2 ASN 52 2HD2 ASN 52 15.968 20.105 -10.310 360 H GLY 53 H GLY 53 18.450 18.559 -15.920 361 1HA GLY 53 1HA GLY 53 20.699 17.866 -15.495 362 2HA GLY 53 2HA GLY 53 20.345 17.886 -13.775 363 H GLU 54 H GLU 54 18.978 16.298 -16.667 364 HA GLU 54 HA GLU 54 18.824 13.814 -15.107 365 1HB GLU 54 1HB GLU 54 16.907 13.313 -16.187 366 2HB GLU 54 2HB GLU 54 16.876 15.030 -16.556 367 1HG GLU 54 1HG GLU 54 18.015 14.531 -18.704 368 2HG GLU 54 2HG GLU 54 17.866 12.814 -18.334 369 HA PRO 55 HA PRO 55 21.934 11.601 -17.271 370 1HB PRO 55 2HB PRO 55 21.376 9.369 -17.296 371 2HB PRO 55 1HB PRO 55 19.846 9.658 -18.132 372 1HG PRO 55 1HG PRO 55 19.055 9.263 -15.984 373 2HG PRO 55 2HG PRO 55 20.508 9.940 -15.227 374 1HD PRO 55 2HD PRO 55 19.143 11.770 -14.949 375 2HD PRO 55 1HD PRO 55 18.117 11.337 -16.330 376 H CYS 56 H CYS 56 22.703 12.481 -19.091 377 HA CYS 56 HA CYS 56 21.118 13.274 -21.284 378 1HB CYS 56 1HB CYS 56 24.082 12.741 -21.410 379 2HB CYS 56 2HB CYS 56 23.145 13.898 -22.348 380 H VAL 57 H VAL 57 22.171 12.493 -23.590 381 HA VAL 57 HA VAL 57 22.067 9.558 -23.636 382 HB VAL 57 HB VAL 57 19.816 10.584 -24.172 383 1HG1 VAL 57 1HG1 VAL 57 21.414 12.132 -25.933 384 2HG1 VAL 57 2HG1 VAL 57 20.309 11.161 -26.906 385 3HG1 VAL 57 3HG1 VAL 57 19.676 12.227 -25.653 386 1HG2 VAL 57 1HG2 VAL 57 20.525 8.305 -24.856 387 2HG2 VAL 57 2HG2 VAL 57 19.365 9.041 -25.963 388 3HG2 VAL 57 3HG2 VAL 57 21.076 8.977 -26.392 389 H LEU 58 H LEU 58 24.458 10.488 -23.801 390 HA LEU 58 HA LEU 58 25.086 10.790 -26.662 391 1HB LEU 58 1HB LEU 58 27.398 11.473 -25.385 392 2HB LEU 58 2HB LEU 58 26.195 12.602 -25.975 393 HG LEU 58 HG LEU 58 26.907 13.126 -23.689 394 1HD1 LEU 58 1HD1 LEU 58 24.390 13.176 -24.667 395 2HD1 LEU 58 2HD1 LEU 58 24.154 12.224 -23.201 396 3HD1 LEU 58 3HD1 LEU 58 24.860 13.837 -23.102 397 1HD2 LEU 58 1HD2 LEU 58 26.255 10.281 -23.286 398 2HD2 LEU 58 2HD2 LEU 58 27.448 11.300 -22.482 399 3HD2 LEU 58 3HD2 LEU 58 25.753 11.378 -21.999 400 HA PRO 59 HA PRO 59 27.629 11.118 -27.238 401 1HB PRO 59 1HB PRO 59 28.568 9.841 -29.447 402 2HB PRO 59 2HB PRO 59 29.532 10.071 -27.983 403 1HG PRO 59 2HG PRO 59 29.628 7.756 -28.170 404 2HG PRO 59 1HG PRO 59 28.011 7.658 -28.890 405 1HD PRO 59 1HD PRO 59 27.441 7.056 -26.740 406 2HD PRO 59 2HD PRO 59 28.798 7.949 -26.026 407 H PHE 60 H PHE 60 26.221 12.269 -28.369 408 HA PHE 60 HA PHE 60 24.241 10.854 -30.030 409 1HB PHE 60 1HB PHE 60 22.887 12.983 -29.719 410 2HB PHE 60 2HB PHE 60 23.109 11.995 -28.276 411 HD1 PHE 60 HD1 PHE 60 24.971 14.711 -30.039 412 HD2 PHE 60 HD2 PHE 60 23.504 13.169 -26.354 413 HE1 PHE 60 HE1 PHE 60 25.907 16.655 -28.858 414 HE2 PHE 60 HE2 PHE 60 24.436 15.113 -25.166 415 HZ PHE 60 HZ PHE 60 25.640 16.857 -26.419 416 H THR 61 H THR 61 23.252 12.805 -31.569 417 HA THR 61 HA THR 61 25.564 13.944 -32.994 418 HB THR 61 HB THR 61 23.258 13.208 -34.675 419 HG1 THR 61 HG1 THR 61 23.335 11.112 -34.342 420 1HG2 THR 61 1HG2 THR 61 26.241 12.789 -34.906 421 2HG2 THR 61 2HG2 THR 61 25.062 12.448 -36.174 422 3HG2 THR 61 3HG2 THR 61 25.309 14.106 -35.625 423 H TYR 62 H TYR 62 25.385 16.048 -33.484 424 HA TYR 62 HA TYR 62 22.755 17.267 -33.738 425 1HB TYR 62 1HB TYR 62 23.219 17.498 -31.359 426 2HB TYR 62 2HB TYR 62 24.795 18.198 -31.710 427 HD1 TYR 62 HD1 TYR 62 21.149 18.778 -31.941 428 HD2 TYR 62 HD2 TYR 62 25.027 20.508 -32.197 429 HE1 TYR 62 HE1 TYR 62 20.141 21.020 -31.960 430 HE2 TYR 62 HE2 TYR 62 24.029 22.755 -32.218 431 HH TYR 62 HH TYR 62 21.115 23.468 -32.976 432 H ASN 63 H ASN 63 22.710 18.752 -35.292 433 HA ASN 63 HA ASN 63 23.372 20.286 -36.840 434 1HB ASN 63 1HB ASN 63 24.818 21.017 -34.732 435 2HB ASN 63 2HB ASN 63 26.141 20.469 -35.757 436 2HD2 ASN 63 1HD2 ASN 63 24.822 23.142 -34.795 437 1HD2 ASN 63 2HD2 ASN 63 24.888 24.113 -36.221 438 H GLY 64 H GLY 64 24.548 17.270 -36.525 439 1HA GLY 64 1HA GLY 64 25.014 16.091 -38.613 440 2HA GLY 64 2HA GLY 64 26.002 17.464 -39.087 441 H ARG 65 H ARG 65 26.916 17.409 -36.097 442 HA ARG 65 HA ARG 65 29.040 15.441 -36.587 443 1HB ARG 65 1HB ARG 65 30.420 16.701 -35.056 444 2HB ARG 65 2HB ARG 65 29.752 17.791 -36.262 445 1HG ARG 65 1HG ARG 65 27.892 18.024 -34.331 446 2HG ARG 65 2HG ARG 65 29.322 17.684 -33.357 447 1HD ARG 65 1HD ARG 65 30.108 19.739 -33.675 448 2HD ARG 65 2HD ARG 65 29.949 19.581 -35.423 449 HE ARG 65 HE ARG 65 27.420 20.082 -34.293 450 1HH1 ARG 65 1HH1 ARG 65 30.458 21.652 -34.946 451 2HH1 ARG 65 2HH1 ARG 65 29.765 23.236 -35.051 452 1HH2 ARG 65 1HH2 ARG 65 26.498 22.170 -34.420 453 2HH2 ARG 65 2HH2 ARG 65 27.516 23.530 -34.753 454 H THR 66 H THR 66 29.991 15.204 -33.963 455 HA THR 66 HA THR 66 27.731 14.134 -32.439 456 HB THR 66 HB THR 66 30.160 12.499 -33.186 457 HG1 THR 66 HG1 THR 66 28.865 12.071 -34.818 458 1HG2 THR 66 1HG2 THR 66 28.354 12.310 -30.947 459 2HG2 THR 66 2HG2 THR 66 28.231 10.880 -31.971 460 3HG2 THR 66 3HG2 THR 66 29.793 11.359 -31.306 461 H PHE 67 H PHE 67 28.030 14.007 -30.244 462 HA PHE 67 HA PHE 67 30.631 14.763 -29.139 463 1HB PHE 67 1HB PHE 67 28.262 16.062 -27.900 464 2HB PHE 67 2HB PHE 67 29.917 16.641 -28.035 465 HD1 PHE 67 HD1 PHE 67 27.163 15.747 -30.411 466 HD2 PHE 67 HD2 PHE 67 30.140 18.558 -29.239 467 HE1 PHE 67 HE1 PHE 67 26.489 17.229 -32.256 468 HE2 PHE 67 HE2 PHE 67 29.471 20.041 -31.083 469 HZ PHE 67 HZ PHE 67 27.643 19.380 -32.591 470 H TYR 68 H TYR 68 31.143 13.528 -27.418 471 HA TYR 68 HA TYR 68 29.225 11.605 -26.460 472 1HB TYR 68 1HB TYR 68 32.095 12.145 -25.689 473 2HB TYR 68 2HB TYR 68 31.123 10.851 -25.001 474 HD1 TYR 68 HD1 TYR 68 31.700 12.110 -28.482 475 HD2 TYR 68 HD2 TYR 68 31.769 8.803 -25.809 476 HE1 TYR 68 HE1 TYR 68 32.410 10.646 -30.320 477 HE2 TYR 68 HE2 TYR 68 32.476 7.334 -27.646 478 HH TYR 68 HH TYR 68 32.233 8.123 -30.836 479 H SER 69 H SER 69 29.535 14.750 -25.783 480 HA SER 69 HA SER 69 28.327 14.437 -23.165 481 1HB SER 69 1HB SER 69 30.988 14.770 -23.117 482 2HB SER 69 2HB SER 69 30.499 16.460 -23.224 483 HG SER 69 HG SER 69 28.987 15.143 -21.422 484 H CYS 70 H CYS 70 28.595 17.146 -22.411 485 HA CYS 70 HA CYS 70 26.422 18.285 -23.806 486 1HB CYS 70 2HB CYS 70 26.531 20.015 -22.254 487 2HB CYS 70 1HB CYS 70 28.282 19.919 -22.117 488 H THR 71 H THR 71 26.742 20.801 -24.364 489 HA THR 71 HA THR 71 29.087 21.638 -25.647 490 HB THR 71 HB THR 71 28.588 19.800 -27.218 491 HG1 THR 71 HG1 THR 71 29.628 21.389 -28.264 492 1HG2 THR 71 1HG2 THR 71 25.966 21.221 -27.368 493 2HG2 THR 71 2HG2 THR 71 26.580 20.399 -28.803 494 3HG2 THR 71 3HG2 THR 71 26.307 19.491 -27.317 495 H THR 72 H THR 72 28.666 23.541 -27.123 496 HA THR 72 HA THR 72 26.169 24.908 -26.357 497 HB THR 72 HB THR 72 27.599 27.048 -26.513 498 HG1 THR 72 HG1 THR 72 29.815 26.696 -26.054 499 1HG2 THR 72 1HG2 THR 72 27.512 25.050 -24.320 500 2HG2 THR 72 2HG2 THR 72 28.609 26.418 -24.130 501 3HG2 THR 72 3HG2 THR 72 26.885 26.697 -24.372 502 H GLU 73 H GLU 73 26.934 23.402 -28.804 503 HA GLU 73 HA GLU 73 27.218 25.439 -30.850 504 1HB GLU 73 1HB GLU 73 27.084 22.439 -30.874 505 2HB GLU 73 2HB GLU 73 26.941 23.358 -32.365 506 1HG GLU 73 1HG GLU 73 29.255 22.447 -31.524 507 2HG GLU 73 2HG GLU 73 29.120 24.003 -32.344 508 H GLY 74 H GLY 74 24.711 24.694 -29.035 509 1HA GLY 74 1HA GLY 74 22.773 24.725 -31.263 510 2HA GLY 74 2HA GLY 74 22.437 24.059 -29.673 511 H ARG 75 H ARG 75 24.043 26.567 -28.700 512 HA ARG 75 HA ARG 75 21.787 28.449 -28.931 513 1HB ARG 75 1HB ARG 75 22.362 29.178 -26.597 514 2HB ARG 75 2HB ARG 75 21.709 27.552 -26.718 515 1HG ARG 75 1HG ARG 75 24.076 26.711 -26.674 516 2HG ARG 75 2HG ARG 75 24.566 28.358 -26.273 517 1HD ARG 75 1HD ARG 75 22.795 26.516 -24.682 518 2HD ARG 75 2HD ARG 75 24.370 27.160 -24.228 519 HE ARG 75 HE ARG 75 23.377 29.191 -23.696 520 1HH1 ARG 75 1HH1 ARG 75 21.046 26.990 -25.071 521 2HH1 ARG 75 2HH1 ARG 75 19.680 27.940 -24.592 522 1HH2 ARG 75 1HH2 ARG 75 21.581 30.441 -23.062 523 2HH2 ARG 75 2HH2 ARG 75 19.983 29.899 -23.451 524 H GLN 76 H GLN 76 22.791 30.623 -27.685 525 HA GLN 76 HA GLN 76 25.347 31.224 -28.994 526 1HB GLN 76 1HB GLN 76 22.962 33.075 -29.079 527 2HB GLN 76 2HB GLN 76 24.521 33.321 -29.853 528 1HG GLN 76 1HG GLN 76 23.859 31.008 -30.995 529 2HG GLN 76 2HG GLN 76 22.242 31.625 -30.665 530 2HE2 GLN 76 1HE2 GLN 76 23.483 31.194 -33.224 531 1HE2 GLN 76 2HE2 GLN 76 23.531 32.725 -34.023 532 H ASP 77 H ASP 77 23.987 30.871 -26.189 533 HA ASP 77 HA ASP 77 24.725 33.405 -24.963 534 1HB ASP 77 1HB ASP 77 23.012 31.152 -24.263 535 2HB ASP 77 2HB ASP 77 24.029 31.666 -22.921 536 H GLY 78 H GLY 78 25.467 29.963 -24.410 537 1HA GLY 78 1HA GLY 78 27.966 29.526 -24.485 538 2HA GLY 78 2HA GLY 78 28.068 30.826 -23.309 539 H HIS 79 H HIS 79 25.453 28.504 -23.238 540 HA HIS 79 HA HIS 79 26.612 27.407 -20.763 541 1HB HIS 79 2HB HIS 79 24.527 27.305 -19.812 542 2HB HIS 79 1HB HIS 79 23.710 27.093 -21.357 543 HD1 HIS 79 HD1 HIS 79 22.074 28.973 -21.342 544 HD2 HIS 79 HD2 HIS 79 25.914 30.213 -20.354 545 HE1 HIS 79 HE1 HIS 79 21.962 31.482 -21.230 546 HE2 HIS 79 HE2 HIS 79 24.320 32.215 -20.735 547 H LEU 80 H LEU 80 27.305 25.392 -20.864 548 HA LEU 80 HA LEU 80 26.994 23.738 -23.115 549 1HB LEU 80 1HB LEU 80 28.036 23.372 -20.346 550 2HB LEU 80 2HB LEU 80 27.705 21.938 -21.298 551 HG LEU 80 HG LEU 80 29.209 22.892 -23.084 552 1HD1 LEU 80 1HD1 LEU 80 29.006 25.228 -21.874 553 2HD1 LEU 80 2HD1 LEU 80 30.420 24.632 -21.005 554 3HD1 LEU 80 3HD1 LEU 80 30.459 24.771 -22.762 555 1HD2 LEU 80 1HD2 LEU 80 29.774 21.245 -21.111 556 2HD2 LEU 80 2HD2 LEU 80 31.037 21.860 -22.178 557 3HD2 LEU 80 3HD2 LEU 80 30.797 22.584 -20.588 558 H TRP 81 H TRP 81 25.405 22.444 -23.730 559 HA TRP 81 HA TRP 81 23.458 21.528 -21.716 560 1HB TRP 81 1HB TRP 81 21.668 21.811 -23.376 561 2HB TRP 81 2HB TRP 81 22.469 23.345 -23.043 562 HD1 TRP 81 HD1 TRP 81 23.546 24.595 -25.055 563 HE1 TRP 81 HE1 TRP 81 23.736 24.111 -27.575 564 HE3 TRP 81 HE3 TRP 81 21.938 19.740 -25.079 565 HZ2 TRP 81 HZ2 TRP 81 23.270 21.958 -29.343 566 HZ3 TRP 81 HZ3 TRP 81 21.840 18.540 -27.225 567 HH2 TRP 81 HH2 TRP 81 22.491 19.628 -29.311 568 H CYS 82 H CYS 82 22.667 19.447 -21.981 569 HA CYS 82 HA CYS 82 23.936 17.869 -24.123 570 1HB CYS 82 2HB CYS 82 24.702 17.511 -21.672 571 2HB CYS 82 1HB CYS 82 24.348 16.101 -22.664 572 H SER 83 H SER 83 22.745 16.060 -24.924 573 HA SER 83 HA SER 83 19.876 16.561 -24.911 574 1HB SER 83 2HB SER 83 21.709 15.764 -26.884 575 2HB SER 83 1HB SER 83 19.959 15.904 -27.051 576 HG SER 83 HG SER 83 21.469 13.697 -27.067 577 H THR 84 H THR 84 18.505 15.418 -23.734 578 HA THR 84 HA THR 84 19.427 13.065 -22.310 579 HB THR 84 HB THR 84 17.442 13.223 -20.999 580 HG1 THR 84 HG1 THR 84 16.513 15.053 -22.979 581 1HG2 THR 84 1HG2 THR 84 19.134 14.924 -20.493 582 2HG2 THR 84 2HG2 THR 84 18.378 16.024 -21.645 583 3HG2 THR 84 3HG2 THR 84 17.509 15.538 -20.189 584 H THR 85 H THR 85 18.023 13.665 -25.261 585 HA THR 85 HA THR 85 17.057 10.904 -25.450 586 HB THR 85 HB THR 85 15.545 13.297 -26.520 587 HG1 THR 85 HG1 THR 85 15.493 12.282 -24.126 588 1HG2 THR 85 1HG2 THR 85 15.627 10.752 -27.570 589 2HG2 THR 85 2HG2 THR 85 14.211 10.702 -26.519 590 3HG2 THR 85 3HG2 THR 85 14.321 11.916 -27.793 591 H SER 86 H SER 86 18.075 9.919 -27.071 592 HA SER 86 HA SER 86 19.955 10.866 -28.733 593 1HB SER 86 2HB SER 86 19.849 8.858 -29.787 594 2HB SER 86 1HB SER 86 18.127 9.018 -30.133 595 HG SER 86 HG SER 86 19.337 8.206 -27.703 596 H ASN 87 H ASN 87 16.502 11.230 -29.161 597 HA ASN 87 HA ASN 87 16.956 12.732 -31.646 598 1HB ASN 87 1HB ASN 87 14.976 10.846 -30.885 599 2HB ASN 87 2HB ASN 87 14.171 12.403 -31.056 600 2HD2 ASN 87 1HD2 ASN 87 13.063 11.581 -32.866 601 1HD2 ASN 87 2HD2 ASN 87 13.839 11.448 -34.403 602 H TYR 88 H TYR 88 17.822 14.449 -30.170 603 HA TYR 88 HA TYR 88 16.019 15.851 -28.457 604 1HB TYR 88 1HB TYR 88 18.219 16.197 -27.828 605 2HB TYR 88 2HB TYR 88 18.787 16.312 -29.490 606 HD1 TYR 88 HD1 TYR 88 18.666 18.414 -30.704 607 HD2 TYR 88 HD2 TYR 88 17.309 18.136 -26.682 608 HE1 TYR 88 HE1 TYR 88 18.656 20.866 -30.545 609 HE2 TYR 88 HE2 TYR 88 17.292 20.588 -26.511 610 HH TYR 88 HH TYR 88 18.337 22.517 -27.583 611 H GLU 89 H GLU 89 16.564 15.778 -31.814 612 HA GLU 89 HA GLU 89 15.674 18.446 -32.373 613 1HB GLU 89 1HB GLU 89 16.091 16.027 -34.128 614 2HB GLU 89 2HB GLU 89 15.559 17.584 -34.745 615 1HG GLU 89 1HG GLU 89 18.060 17.383 -33.127 616 2HG GLU 89 2HG GLU 89 18.065 16.952 -34.836 617 H GLN 90 H GLN 90 14.102 15.755 -31.286 618 HA GLN 90 HA GLN 90 11.564 16.611 -32.505 619 1HB GLN 90 1HB GLN 90 11.708 14.507 -33.396 620 2HB GLN 90 2HB GLN 90 12.711 13.903 -32.086 621 1HG GLN 90 1HG GLN 90 10.657 12.762 -31.941 622 2HG GLN 90 2HG GLN 90 10.658 13.949 -30.637 623 2HE2 GLN 90 1HE2 GLN 90 9.090 15.449 -30.563 624 1HE2 GLN 90 2HE2 GLN 90 7.834 15.616 -31.738 625 H ASP 91 H ASP 91 13.066 15.136 -29.658 626 HA ASP 91 HA ASP 91 10.745 15.515 -28.013 627 1HB ASP 91 1HB ASP 91 13.152 14.050 -27.833 628 2HB ASP 91 2HB ASP 91 13.152 15.167 -26.472 629 H GLN 92 H GLN 92 13.844 17.151 -28.443 630 HA GLN 92 HA GLN 92 14.466 19.301 -27.998 631 1HB GLN 92 1HB GLN 92 11.895 19.650 -28.493 632 2HB GLN 92 2HB GLN 92 11.828 19.961 -26.763 633 1HG GLN 92 1HG GLN 92 12.116 21.957 -28.311 634 2HG GLN 92 2HG GLN 92 13.196 21.839 -26.923 635 2HE2 GLN 92 1HE2 GLN 92 13.248 20.230 -30.076 636 1HE2 GLN 92 2HE2 GLN 92 14.817 20.791 -30.532 637 H LYS 93 H LYS 93 14.541 17.049 -26.057 638 HA LYS 93 HA LYS 93 14.428 18.489 -23.508 639 1HB LYS 93 1HB LYS 93 14.601 15.578 -24.234 640 2HB LYS 93 2HB LYS 93 15.006 16.128 -22.614 641 1HG LYS 93 1HG LYS 93 12.595 15.310 -23.174 642 2HG LYS 93 2HG LYS 93 12.846 16.697 -22.112 643 1HD LYS 93 1HD LYS 93 12.290 18.231 -23.810 644 2HD LYS 93 2HD LYS 93 12.444 17.009 -25.074 645 1HE LYS 93 1HE LYS 93 10.352 16.252 -24.761 646 2HE LYS 93 2HE LYS 93 10.473 16.362 -23.006 647 1HZ LYS 93 1HZ LYS 93 10.284 18.855 -24.525 648 2HZ LYS 93 2HZ LYS 93 8.883 17.919 -24.375 649 3HZ LYS 93 3HZ LYS 93 9.681 18.478 -22.991 650 H TYR 94 H TYR 94 16.200 19.484 -22.860 651 HA TYR 94 HA TYR 94 18.796 18.183 -23.289 652 1HB TYR 94 1HB TYR 94 19.826 20.124 -24.109 653 2HB TYR 94 2HB TYR 94 18.282 20.083 -24.953 654 HD1 TYR 94 HD1 TYR 94 19.927 21.567 -21.954 655 HD2 TYR 94 HD2 TYR 94 16.900 21.955 -24.921 656 HE1 TYR 94 HE1 TYR 94 19.432 23.836 -21.145 657 HE2 TYR 94 HE2 TYR 94 16.399 24.225 -24.119 658 HH TYR 94 HH TYR 94 18.296 26.040 -22.425 659 H SER 95 H SER 95 20.492 18.976 -21.838 660 HA SER 95 HA SER 95 19.475 20.260 -19.401 661 1HB SER 95 1HB SER 95 21.402 18.289 -18.651 662 2HB SER 95 2HB SER 95 19.708 18.402 -18.177 663 HG SER 95 HG SER 95 19.143 17.118 -19.868 664 H PHE 96 H PHE 96 20.815 21.728 -18.534 665 HA PHE 96 HA PHE 96 23.063 22.629 -19.963 666 1HB PHE 96 1HB PHE 96 22.030 23.228 -17.201 667 2HB PHE 96 2HB PHE 96 23.490 23.981 -17.829 668 HD1 PHE 96 HD1 PHE 96 22.631 24.337 -20.679 669 HD2 PHE 96 HD2 PHE 96 20.609 25.065 -17.006 670 HE1 PHE 96 HE1 PHE 96 21.266 26.064 -21.779 671 HE2 PHE 96 HE2 PHE 96 19.238 26.792 -18.097 672 HZ PHE 96 HZ PHE 96 19.565 27.293 -20.488 673 H CYS 97 H CYS 97 25.173 23.100 -18.530 674 HA CYS 97 HA CYS 97 25.987 20.854 -16.915 675 1HB CYS 97 1HB CYS 97 27.331 21.337 -19.581 676 2HB CYS 97 2HB CYS 97 27.852 20.181 -18.361 677 H THR 98 H THR 98 27.985 21.191 -15.839 678 HA THR 98 HA THR 98 28.564 23.945 -15.335 679 HB THR 98 HB THR 98 30.460 22.849 -13.922 680 HG1 THR 98 HG1 THR 98 29.795 20.627 -13.393 681 1HG2 THR 98 1HG2 THR 98 27.857 23.540 -13.399 682 2HG2 THR 98 2HG2 THR 98 27.936 21.876 -12.824 683 3HG2 THR 98 3HG2 THR 98 29.057 23.080 -12.190 684 H ASP 99 H ASP 99 31.222 21.698 -15.523 685 HA ASP 99 HA ASP 99 33.046 21.561 -16.903 686 1HB ASP 99 1HB ASP 99 31.206 22.238 -18.697 687 2HB ASP 99 2HB ASP 99 32.103 23.753 -18.693 688 H HIS 100 H HIS 100 31.907 24.945 -16.831 689 HA HIS 100 HA HIS 100 32.879 26.852 -16.054 690 1HB HIS 100 1HB HIS 100 34.710 24.893 -14.659 691 2HB HIS 100 2HB HIS 100 34.757 26.635 -14.406 692 HD1 HIS 100 HD1 HIS 100 31.498 24.808 -14.725 693 HD2 HIS 100 HD2 HIS 100 33.903 26.453 -11.764 694 HE1 HIS 100 HE1 HIS 100 30.092 24.806 -12.640 695 HE2 HIS 100 HE2 HIS 100 31.604 25.712 -10.839 696 H THR 101 H THR 101 34.478 28.302 -16.677 697 HA THR 101 HA THR 101 36.207 27.327 -18.822 698 HB THR 101 HB THR 101 35.061 29.165 -19.636 699 HG1 THR 101 HG1 THR 101 37.103 29.748 -20.102 700 1HG2 THR 101 1HG2 THR 101 35.432 30.426 -16.921 701 2HG2 THR 101 2HG2 THR 101 34.776 31.282 -18.316 702 3HG2 THR 101 3HG2 THR 101 33.924 29.884 -17.660 No H/Q in entry = 702 Start of MODEL 44 1 H1 TYR 1 H1 TYR 1 49.222 3.097 -45.367 2 H2 TYR 1 H2 TYR 1 48.910 3.401 -47.002 3 H3 TYR 1 H3 TYR 1 50.310 4.019 -46.279 4 HA TYR 1 HA TYR 1 48.782 5.801 -46.493 5 1HB TYR 1 1HB TYR 1 46.908 3.777 -46.240 6 2HB TYR 1 2HB TYR 1 46.709 4.697 -44.752 7 HD1 TYR 1 HD1 TYR 1 47.539 5.813 -48.216 8 HD2 TYR 1 HD2 TYR 1 44.772 5.948 -44.987 9 HE1 TYR 1 HE1 TYR 1 46.211 7.486 -49.432 10 HE2 TYR 1 HE2 TYR 1 43.435 7.621 -46.195 11 HH TYR 1 HH TYR 1 43.084 8.550 -48.271 12 H GLY 2 H GLY 2 47.888 7.198 -44.613 13 1HA GLY 2 1HA GLY 2 49.839 7.006 -42.463 14 2HA GLY 2 2HA GLY 2 48.779 8.369 -42.793 15 H HIS 3 H HIS 3 48.882 5.103 -41.450 16 HA HIS 3 HA HIS 3 46.270 5.278 -40.288 17 1HB HIS 3 1HB HIS 3 48.486 3.312 -40.316 18 2HB HIS 3 2HB HIS 3 47.425 3.262 -38.912 19 HD1 HIS 3 HD1 HIS 3 47.207 3.079 -42.694 20 HD2 HIS 3 HD2 HIS 3 45.091 1.919 -39.312 21 HE1 HIS 3 HE1 HIS 3 45.318 1.652 -43.541 22 HE2 HIS 3 HE2 HIS 3 44.125 0.864 -41.466 23 H CYS 4 H CYS 4 45.825 5.225 -37.990 24 HA CYS 4 HA CYS 4 47.858 6.661 -36.403 25 1HB CYS 4 1HB CYS 4 45.636 7.464 -35.173 26 2HB CYS 4 2HB CYS 4 46.277 8.311 -36.576 27 H VAL 5 H VAL 5 48.428 5.746 -34.524 28 HA VAL 5 HA VAL 5 46.625 3.748 -33.337 29 HB VAL 5 HB VAL 5 48.553 2.324 -32.778 30 1HG1 VAL 5 1HG1 VAL 5 47.337 2.658 -35.302 31 2HG1 VAL 5 2HG1 VAL 5 49.037 2.290 -35.591 32 3HG1 VAL 5 3HG1 VAL 5 48.050 1.195 -34.621 33 1HG2 VAL 5 1HG2 VAL 5 50.140 4.396 -33.083 34 2HG2 VAL 5 2HG2 VAL 5 50.722 2.758 -33.388 35 3HG2 VAL 5 3HG2 VAL 5 50.251 3.793 -34.737 36 H THR 6 H THR 6 46.757 3.505 -31.092 37 HA THR 6 HA THR 6 47.612 5.880 -29.700 38 HB THR 6 HB THR 6 46.248 5.242 -27.994 39 HG1 THR 6 HG1 THR 6 46.111 3.123 -27.237 40 1HG2 THR 6 1HG2 THR 6 45.085 4.880 -30.306 41 2HG2 THR 6 2HG2 THR 6 45.103 3.181 -29.836 42 3HG2 THR 6 3HG2 THR 6 44.275 4.366 -28.828 43 H ASP 7 H ASP 7 48.172 4.526 -27.184 44 HA ASP 7 HA ASP 7 50.838 4.586 -26.977 45 1HB ASP 7 1HB ASP 7 48.861 3.762 -25.313 46 2HB ASP 7 2HB ASP 7 49.693 2.237 -25.599 47 H SER 8 H SER 8 49.032 1.685 -27.928 48 HA SER 8 HA SER 8 50.612 0.778 -29.932 49 1HB SER 8 1HB SER 8 52.613 0.570 -28.805 50 2HB SER 8 2HB SER 8 51.831 0.189 -27.271 51 HG SER 8 HG SER 8 52.013 -1.533 -29.523 52 H GLY 9 H GLY 9 48.161 0.392 -29.949 53 1HA GLY 9 1HA GLY 9 47.754 -2.444 -29.688 54 2HA GLY 9 2HA GLY 9 46.798 -1.510 -28.550 55 H VAL 10 H VAL 10 45.629 0.401 -29.650 56 HA VAL 10 HA VAL 10 43.815 -0.690 -31.527 57 HB VAL 10 HB VAL 10 44.053 2.268 -31.175 58 1HG1 VAL 10 1HG1 VAL 10 42.060 0.340 -32.012 59 2HG1 VAL 10 2HG1 VAL 10 41.446 1.422 -30.764 60 3HG1 VAL 10 3HG1 VAL 10 42.114 2.086 -32.255 61 1HG2 VAL 10 1HG2 VAL 10 43.298 0.294 -29.043 62 2HG2 VAL 10 2HG2 VAL 10 44.396 1.672 -28.938 63 3HG2 VAL 10 3HG2 VAL 10 42.656 1.937 -29.053 64 H VAL 11 H VAL 11 43.413 -0.068 -33.690 65 HA VAL 11 HA VAL 11 45.719 1.145 -35.067 66 HB VAL 11 HB VAL 11 44.042 -1.194 -35.981 67 1HG1 VAL 11 1HG1 VAL 11 45.230 0.800 -37.564 68 2HG1 VAL 11 2HG1 VAL 11 46.272 -0.618 -37.687 69 3HG1 VAL 11 3HG1 VAL 11 44.561 -0.744 -38.093 70 1HG2 VAL 11 1HG2 VAL 11 46.524 -0.979 -34.574 71 2HG2 VAL 11 2HG2 VAL 11 45.638 -2.427 -35.050 72 3HG2 VAL 11 3HG2 VAL 11 46.807 -1.705 -36.156 73 H TYR 12 H TYR 12 44.634 3.163 -35.016 74 HA TYR 12 HA TYR 12 42.085 3.417 -36.375 75 1HB TYR 12 1HB TYR 12 43.918 5.528 -35.216 76 2HB TYR 12 2HB TYR 12 42.299 5.818 -35.843 77 HD1 TYR 12 HD1 TYR 12 40.468 4.178 -34.733 78 HD2 TYR 12 HD2 TYR 12 44.129 5.389 -32.943 79 HE1 TYR 12 HE1 TYR 12 39.525 3.711 -32.507 80 HE2 TYR 12 HE2 TYR 12 43.200 4.928 -30.710 81 HH TYR 12 HH TYR 12 41.121 3.192 -29.907 82 H SER 13 H SER 13 41.933 5.313 -37.964 83 HA SER 13 HA SER 13 44.252 5.373 -39.762 84 1HB SER 13 1HB SER 13 41.458 4.522 -40.382 85 2HB SER 13 2HB SER 13 42.352 5.417 -41.611 86 HG SER 13 HG SER 13 42.760 2.856 -40.620 87 H VAL 14 H VAL 14 44.847 7.381 -40.120 88 HA VAL 14 HA VAL 14 44.238 9.693 -39.206 89 HB VAL 14 HB VAL 14 45.795 9.490 -41.068 90 1HG1 VAL 14 1HG1 VAL 14 43.619 8.406 -42.427 91 2HG1 VAL 14 2HG1 VAL 14 43.948 9.936 -43.240 92 3HG1 VAL 14 3HG1 VAL 14 45.225 8.730 -43.078 93 1HG2 VAL 14 1HG2 VAL 14 44.209 11.686 -40.474 94 2HG2 VAL 14 2HG2 VAL 14 45.730 11.697 -41.367 95 3HG2 VAL 14 3HG2 VAL 14 44.198 11.606 -42.235 96 H GLY 15 H GLY 15 42.068 9.673 -38.407 97 1HA GLY 15 1HA GLY 15 40.273 11.377 -39.158 98 2HA GLY 15 2HA GLY 15 39.989 10.192 -40.421 99 H MET 16 H MET 16 40.846 8.387 -37.833 100 HA MET 16 HA MET 16 38.135 7.591 -37.339 101 1HB MET 16 1HB MET 16 40.593 6.345 -37.183 102 2HB MET 16 2HB MET 16 40.138 6.534 -35.495 103 1HG MET 16 1HG MET 16 38.970 4.667 -35.732 104 2HG MET 16 2HG MET 16 37.828 5.616 -36.681 105 1HE MET 16 1HE MET 16 40.213 3.072 -36.262 106 2HE MET 16 2HE MET 16 39.357 1.991 -37.361 107 3HE MET 16 3HE MET 16 40.935 2.639 -37.812 108 H GLN 17 H GLN 17 36.813 8.312 -35.813 109 HA GLN 17 HA GLN 17 37.935 9.966 -33.658 110 1HB GLN 17 1HB GLN 17 35.279 9.943 -35.055 111 2HB GLN 17 2HB GLN 17 35.427 10.643 -33.449 112 1HG GLN 17 1HG GLN 17 37.086 12.212 -34.252 113 2HG GLN 17 2HG GLN 17 37.032 11.478 -35.854 114 2HE2 GLN 17 1HE2 GLN 17 34.441 12.332 -33.601 115 1HE2 GLN 17 2HE2 GLN 17 33.621 13.407 -34.677 116 H TRP 18 H TRP 18 38.377 8.589 -32.019 117 HA TRP 18 HA TRP 18 36.179 6.859 -31.083 118 1HB TRP 18 1HB TRP 18 37.778 5.280 -30.286 119 2HB TRP 18 2HB TRP 18 38.260 5.691 -31.929 120 HD1 TRP 18 HD1 TRP 18 39.472 5.790 -28.361 121 HE1 TRP 18 HE1 TRP 18 41.875 6.708 -28.297 122 HE3 TRP 18 HE3 TRP 18 39.847 7.418 -33.193 123 HZ2 TRP 18 HZ2 TRP 18 43.690 7.961 -30.064 124 HZ3 TRP 18 HZ3 TRP 18 41.949 8.466 -33.925 125 HH2 TRP 18 HH2 TRP 18 43.829 8.730 -32.391 126 H LEU 19 H LEU 19 36.905 6.196 -28.632 127 HA LEU 19 HA LEU 19 37.537 8.666 -27.183 128 1HB LEU 19 1HB LEU 19 35.113 8.514 -27.225 129 2HB LEU 19 2HB LEU 19 35.180 6.864 -26.635 130 HG LEU 19 HG LEU 19 36.555 8.254 -24.692 131 1HD1 LEU 19 1HD1 LEU 19 35.192 10.198 -26.132 132 2HD1 LEU 19 2HD1 LEU 19 34.182 9.897 -24.717 133 3HD1 LEU 19 3HD1 LEU 19 35.872 10.359 -24.512 134 1HD2 LEU 19 1HD2 LEU 19 34.345 6.611 -24.896 135 2HD2 LEU 19 2HD2 LEU 19 35.058 7.222 -23.403 136 3HD2 LEU 19 3HD2 LEU 19 33.708 8.078 -24.151 137 H LYS 20 H LYS 20 38.783 8.386 -25.408 138 HA LYS 20 HA LYS 20 39.418 5.605 -24.669 139 1HB LYS 20 1HB LYS 20 41.323 6.626 -25.724 140 2HB LYS 20 2HB LYS 20 41.188 8.049 -24.699 141 1HG LYS 20 1HG LYS 20 41.818 6.780 -22.760 142 2HG LYS 20 2HG LYS 20 41.802 5.281 -23.691 143 1HD LYS 20 2HD LYS 20 43.520 6.654 -25.187 144 2HD LYS 20 1HD LYS 20 44.034 5.719 -23.781 145 1HE LYS 20 1HE LYS 20 43.282 8.621 -23.588 146 2HE LYS 20 2HE LYS 20 44.172 7.641 -22.424 147 1HZ LYS 20 1HZ LYS 20 45.350 7.882 -25.072 148 2HZ LYS 20 2HZ LYS 20 45.346 9.289 -24.132 149 3HZ LYS 20 3HZ LYS 20 46.092 7.887 -23.553 150 H THR 21 H THR 21 40.153 5.285 -22.442 151 HA THR 21 HA THR 21 38.978 7.215 -20.550 152 HB THR 21 HB THR 21 38.825 4.597 -19.433 153 HG1 THR 21 HG1 THR 21 37.718 4.858 -22.045 154 1HG2 THR 21 1HG2 THR 21 37.361 6.913 -19.435 155 2HG2 THR 21 2HG2 THR 21 36.322 5.812 -20.341 156 3HG2 THR 21 3HG2 THR 21 36.850 5.388 -18.712 157 H GLN 22 H GLN 22 40.253 7.740 -18.862 158 HA GLN 22 HA GLN 22 42.854 6.424 -18.677 159 1HB GLN 22 1HB GLN 22 41.799 9.022 -17.569 160 2HB GLN 22 2HB GLN 22 43.377 8.375 -17.142 161 1HG GLN 22 1HG GLN 22 43.037 8.405 -19.997 162 2HG GLN 22 2HG GLN 22 42.735 10.002 -19.313 163 2HE2 GLN 22 1HE2 GLN 22 45.068 7.776 -20.278 164 1HE2 GLN 22 2HE2 GLN 22 46.463 8.590 -19.664 165 H GLY 23 H GLY 23 40.399 5.168 -17.641 166 1HA GLY 23 1HA GLY 23 40.816 3.621 -15.707 167 2HA GLY 23 2HA GLY 23 41.109 5.081 -14.774 168 H ASN 24 H ASN 24 39.360 6.402 -14.181 169 HA ASN 24 HA ASN 24 36.733 5.100 -14.469 170 1HB ASN 24 1HB ASN 24 38.046 5.491 -12.136 171 2HB ASN 24 2HB ASN 24 37.134 6.995 -12.234 172 2HD2 ASN 24 1HD2 ASN 24 36.829 4.872 -10.329 173 1HD2 ASN 24 2HD2 ASN 24 35.215 4.279 -10.491 174 H LYS 25 H LYS 25 38.447 7.642 -15.588 175 HA LYS 25 HA LYS 25 36.218 9.542 -15.517 176 1HB LYS 25 2HB LYS 25 37.774 11.210 -16.254 177 2HB LYS 25 1HB LYS 25 38.978 9.992 -16.656 178 1HG LYS 25 1HG LYS 25 38.514 11.351 -14.172 179 2HG LYS 25 2HG LYS 25 38.397 9.604 -13.949 180 1HD LYS 25 1HD LYS 25 40.580 9.360 -15.101 181 2HD LYS 25 2HD LYS 25 40.699 11.120 -15.179 182 1HE LYS 25 1HE LYS 25 40.133 10.612 -12.521 183 2HE LYS 25 2HE LYS 25 41.235 9.311 -12.969 184 1HZ LYS 25 1HZ LYS 25 42.729 11.063 -13.880 185 2HZ LYS 25 2HZ LYS 25 41.714 12.230 -13.196 186 3HZ LYS 25 3HZ LYS 25 42.527 11.129 -12.201 187 H GLN 26 H GLN 26 37.143 10.859 -17.973 188 HA GLN 26 HA GLN 26 36.647 8.890 -20.057 189 1HB GLN 26 1HB GLN 26 34.430 9.879 -19.143 190 2HB GLN 26 2HB GLN 26 34.910 11.340 -19.997 191 1HG GLN 26 1HG GLN 26 35.111 9.935 -22.070 192 2HG GLN 26 2HG GLN 26 34.354 8.627 -21.161 193 2HE2 GLN 26 1HE2 GLN 26 33.814 11.208 -23.172 194 1HE2 GLN 26 2HE2 GLN 26 32.123 11.424 -22.895 195 H MET 27 H MET 27 37.156 9.643 -22.172 196 HA MET 27 HA MET 27 38.111 12.290 -22.647 197 1HB MET 27 1HB MET 27 39.937 10.621 -21.386 198 2HB MET 27 2HB MET 27 40.386 10.521 -23.083 199 1HG MET 27 1HG MET 27 40.050 13.195 -22.784 200 2HG MET 27 2HG MET 27 40.638 12.736 -21.187 201 1HE MET 27 1HE MET 27 42.460 11.191 -20.812 202 2HE MET 27 2HE MET 27 43.023 10.225 -22.176 203 3HE MET 27 3HE MET 27 44.043 11.505 -21.522 204 H LEU 28 H LEU 28 37.589 12.640 -24.698 205 HA LEU 28 HA LEU 28 37.306 10.392 -26.525 206 1HB LEU 28 1HB LEU 28 35.508 12.008 -26.487 207 2HB LEU 28 2HB LEU 28 36.631 13.319 -26.800 208 HG LEU 28 HG LEU 28 36.957 11.484 -28.914 209 1HD1 LEU 28 1HD1 LEU 28 34.084 11.946 -28.171 210 2HD1 LEU 28 2HD1 LEU 28 34.591 11.580 -29.820 211 3HD1 LEU 28 3HD1 LEU 28 34.895 10.421 -28.526 212 1HD2 LEU 28 1HD2 LEU 28 35.696 14.200 -28.653 213 2HD2 LEU 28 2HD2 LEU 28 37.308 13.792 -29.238 214 3HD2 LEU 28 3HD2 LEU 28 35.891 13.388 -30.206 215 H CYS 29 H CYS 29 38.916 9.803 -27.850 216 HA CYS 29 HA CYS 29 40.923 11.843 -28.529 217 1HB CYS 29 1HB CYS 29 41.532 9.743 -27.073 218 2HB CYS 29 2HB CYS 29 41.589 8.938 -28.639 219 H THR 30 H THR 30 41.560 12.133 -30.554 220 HA THR 30 HA THR 30 40.492 10.360 -32.644 221 HB THR 30 HB THR 30 40.257 13.374 -32.631 222 HG1 THR 30 HG1 THR 30 38.248 12.966 -32.117 223 1HG2 THR 30 1HG2 THR 30 40.163 11.384 -34.841 224 2HG2 THR 30 2HG2 THR 30 39.007 12.716 -34.877 225 3HG2 THR 30 3HG2 THR 30 40.739 13.051 -34.847 226 H CYS 31 H CYS 31 41.697 10.315 -34.575 227 HA CYS 31 HA CYS 31 44.408 11.412 -34.289 228 1HB CYS 31 1HB CYS 31 45.137 9.635 -35.812 229 2HB CYS 31 2HB CYS 31 44.334 8.975 -34.392 230 H LEU 32 H LEU 32 44.422 13.323 -35.273 231 HA LEU 32 HA LEU 32 42.986 13.793 -37.725 232 1HB LEU 32 1HB LEU 32 44.296 16.046 -37.490 233 2HB LEU 32 2HB LEU 32 42.981 15.673 -36.400 234 HG LEU 32 HG LEU 32 45.711 14.884 -35.561 235 1HD1 LEU 32 1HD1 LEU 32 45.505 17.363 -36.539 236 2HD1 LEU 32 2HD1 LEU 32 44.923 17.643 -34.899 237 3HD1 LEU 32 3HD1 LEU 32 46.521 16.946 -35.159 238 1HD2 LEU 32 1HD2 LEU 32 43.317 14.705 -34.378 239 2HD2 LEU 32 2HD2 LEU 32 44.818 14.912 -33.476 240 3HD2 LEU 32 3HD2 LEU 32 43.794 16.307 -33.816 241 H GLY 33 H GLY 33 44.930 15.518 -38.996 242 1HA GLY 33 1HA GLY 33 46.367 13.487 -40.440 243 2HA GLY 33 2HA GLY 33 46.313 15.196 -40.824 244 H ASN 34 H ASN 34 47.247 16.120 -38.254 245 HA ASN 34 HA ASN 34 50.067 15.680 -38.709 246 1HB ASN 34 1HB ASN 34 50.434 17.472 -37.119 247 2HB ASN 34 2HB ASN 34 49.184 17.948 -38.264 248 2HD2 ASN 34 1HD2 ASN 34 49.606 16.465 -35.081 249 1HD2 ASN 34 2HD2 ASN 34 48.216 17.195 -34.367 250 H GLY 35 H GLY 35 47.662 14.544 -36.492 251 1HA GLY 35 1HA GLY 35 49.264 12.516 -35.455 252 2HA GLY 35 2HA GLY 35 49.376 13.867 -34.340 253 H VAL 36 H VAL 36 48.379 12.640 -32.705 254 HA VAL 36 HA VAL 36 45.483 12.281 -33.092 255 HB VAL 36 HB VAL 36 47.422 10.549 -31.576 256 1HG1 VAL 36 1HG1 VAL 36 44.474 10.862 -31.182 257 2HG1 VAL 36 2HG1 VAL 36 45.246 9.297 -30.926 258 3HG1 VAL 36 3HG1 VAL 36 45.751 10.695 -29.978 259 1HG2 VAL 36 1HG2 VAL 36 45.989 10.367 -34.063 260 2HG2 VAL 36 2HG2 VAL 36 47.258 9.327 -33.419 261 3HG2 VAL 36 3HG2 VAL 36 45.572 9.026 -32.997 262 H SER 37 H SER 37 44.262 13.515 -31.854 263 HA SER 37 HA SER 37 45.318 14.414 -29.257 264 1HB SER 37 1HB SER 37 45.454 16.282 -30.826 265 2HB SER 37 2HB SER 37 43.757 16.071 -31.254 266 HG SER 37 HG SER 37 43.212 16.620 -29.121 267 H CYS 38 H CYS 38 43.857 14.538 -27.575 268 HA CYS 38 HA CYS 38 41.124 13.606 -28.152 269 1HB CYS 38 1HB CYS 38 42.058 12.875 -25.507 270 2HB CYS 38 2HB CYS 38 41.313 11.871 -26.731 271 H GLN 39 H GLN 39 39.651 13.998 -26.192 272 HA GLN 39 HA GLN 39 40.232 16.684 -25.128 273 1HB GLN 39 2HB GLN 39 37.897 17.208 -25.258 274 2HB GLN 39 1HB GLN 39 37.489 15.548 -25.671 275 1HG GLN 39 1HG GLN 39 38.607 15.777 -27.808 276 2HG GLN 39 2HG GLN 39 37.374 17.021 -27.608 277 2HE2 GLN 39 1HE2 GLN 39 38.819 18.729 -25.907 278 1HE2 GLN 39 2HE2 GLN 39 40.097 19.446 -26.821 279 H GLU 40 H GLU 40 40.610 16.660 -23.028 280 HA GLU 40 HA GLU 40 40.237 14.551 -21.289 281 1HB GLU 40 1HB GLU 40 41.335 17.073 -21.127 282 2HB GLU 40 2HB GLU 40 39.995 17.159 -19.992 283 1HG GLU 40 1HG GLU 40 40.985 14.860 -19.181 284 2HG GLU 40 2HG GLU 40 42.456 15.507 -19.906 285 H THR 41 H THR 41 38.221 13.621 -21.357 286 HA THR 41 HA THR 41 36.127 13.248 -20.509 287 HB THR 41 HB THR 41 36.154 16.092 -19.490 288 HG1 THR 41 HG1 THR 41 37.159 13.683 -18.367 289 1HG2 THR 41 1HG2 THR 41 34.149 14.127 -19.535 290 2HG2 THR 41 2HG2 THR 41 34.754 14.169 -17.879 291 3HG2 THR 41 3HG2 THR 41 34.148 15.642 -18.634 292 H ALA 42 H ALA 42 36.460 16.557 -21.799 293 HA ALA 42 HA ALA 42 35.393 17.594 -23.538 294 1HB ALA 42 1HB ALA 42 35.640 15.414 -24.704 295 2HB ALA 42 2HB ALA 42 34.062 14.942 -24.073 296 3HB ALA 42 3HB ALA 42 34.195 16.308 -25.179 297 H VAL 43 H VAL 43 34.099 19.045 -22.553 298 HA VAL 43 HA VAL 43 31.378 18.161 -21.850 299 HB VAL 43 HB VAL 43 31.312 19.681 -19.977 300 1HG1 VAL 43 1HG1 VAL 43 33.370 17.581 -20.133 301 2HG1 VAL 43 2HG1 VAL 43 33.502 18.683 -18.763 302 3HG1 VAL 43 3HG1 VAL 43 32.017 17.766 -19.018 303 1HG2 VAL 43 1HG2 VAL 43 33.196 21.133 -21.241 304 2HG2 VAL 43 2HG2 VAL 43 32.815 21.305 -19.528 305 3HG2 VAL 43 3HG2 VAL 43 34.190 20.321 -20.031 306 H THR 44 H THR 44 30.228 20.551 -21.263 307 HA THR 44 HA THR 44 30.726 22.782 -22.762 308 HB THR 44 HB THR 44 28.788 22.066 -24.576 309 HG1 THR 44 HG1 THR 44 29.288 19.815 -23.804 310 1HG2 THR 44 1HG2 THR 44 31.566 22.770 -24.566 311 2HG2 THR 44 2HG2 THR 44 31.267 21.564 -25.817 312 3HG2 THR 44 3HG2 THR 44 30.350 23.069 -25.806 313 H GLN 45 H GLN 45 28.750 24.136 -23.168 314 HA GLN 45 HA GLN 45 26.728 23.518 -21.124 315 1HB GLN 45 1HB GLN 45 26.844 26.252 -22.223 316 2HB GLN 45 2HB GLN 45 26.665 25.713 -20.559 317 1HG GLN 45 1HG GLN 45 28.957 25.513 -20.245 318 2HG GLN 45 2HG GLN 45 29.287 25.464 -21.975 319 2HE2 GLN 45 1HE2 GLN 45 30.844 27.106 -20.752 320 1HE2 GLN 45 2HE2 GLN 45 30.364 28.758 -20.918 321 H THR 46 H THR 46 24.724 25.226 -21.822 322 HA THR 46 HA THR 46 24.001 24.678 -24.592 323 HB THR 46 HB THR 46 21.803 23.753 -23.974 324 HG1 THR 46 HG1 THR 46 22.241 24.683 -21.645 325 1HG2 THR 46 1HG2 THR 46 24.335 22.368 -23.246 326 2HG2 THR 46 2HG2 THR 46 22.810 21.582 -22.841 327 3HG2 THR 46 3HG2 THR 46 23.170 21.996 -24.516 328 H TYR 47 H TYR 47 22.108 25.873 -25.304 329 HA TYR 47 HA TYR 47 20.779 27.752 -23.692 330 1HB TYR 47 1HB TYR 47 21.789 29.840 -24.532 331 2HB TYR 47 2HB TYR 47 22.913 28.890 -23.571 332 HD1 TYR 47 HD1 TYR 47 22.898 27.092 -26.470 333 HD2 TYR 47 HD2 TYR 47 24.109 30.922 -25.062 334 HE1 TYR 47 HE1 TYR 47 24.551 27.228 -28.278 335 HE2 TYR 47 HE2 TYR 47 25.765 31.066 -26.872 336 HH TYR 47 HH TYR 47 26.341 28.355 -29.057 337 H GLY 48 H GLY 48 18.890 27.953 -24.659 338 1HA GLY 48 1HA GLY 48 17.372 28.493 -26.334 339 2HA GLY 48 2HA GLY 48 18.714 28.659 -27.455 340 H GLY 49 H GLY 49 19.034 27.097 -28.917 341 1HA GLY 49 1HA GLY 49 18.641 25.189 -30.134 342 2HA GLY 49 2HA GLY 49 18.692 24.369 -28.581 343 H ASN 50 H ASN 50 17.006 23.054 -28.428 344 HA ASN 50 HA ASN 50 14.381 24.049 -29.325 345 1HB ASN 50 1HB ASN 50 15.738 21.453 -29.705 346 2HB ASN 50 2HB ASN 50 14.039 21.353 -29.253 347 2HD2 ASN 50 1HD2 ASN 50 12.565 21.592 -30.788 348 1HD2 ASN 50 2HD2 ASN 50 12.868 22.161 -32.391 349 H SER 51 H SER 51 16.178 22.377 -26.829 350 HA SER 51 HA SER 51 13.785 22.437 -25.111 351 1HB SER 51 1HB SER 51 15.390 20.273 -25.700 352 2HB SER 51 2HB SER 51 16.032 20.817 -24.151 353 HG SER 51 HG SER 51 13.760 19.485 -24.661 354 H ASN 52 H ASN 52 15.218 24.775 -25.454 355 HA ASN 52 HA ASN 52 16.422 26.397 -24.382 356 1HB ASN 52 1HB ASN 52 14.394 26.223 -22.977 357 2HB ASN 52 2HB ASN 52 15.212 25.037 -21.963 358 2HD2 ASN 52 1HD2 ASN 52 16.517 25.716 -20.374 359 1HD2 ASN 52 2HD2 ASN 52 16.888 27.371 -20.046 360 H GLY 53 H GLY 53 17.765 23.759 -24.791 361 1HA GLY 53 1HA GLY 53 19.912 23.004 -24.407 362 2HA GLY 53 2HA GLY 53 20.140 24.354 -23.306 363 H GLU 54 H GLU 54 18.259 21.326 -23.467 364 HA GLU 54 HA GLU 54 18.455 21.025 -20.588 365 1HB GLU 54 1HB GLU 54 17.052 19.496 -22.763 366 2HB GLU 54 2HB GLU 54 17.180 18.848 -21.137 367 1HG GLU 54 1HG GLU 54 16.270 21.437 -20.764 368 2HG GLU 54 2HG GLU 54 15.404 20.866 -22.190 369 HA PRO 55 HA PRO 55 21.779 18.220 -20.011 370 1HB PRO 55 2HB PRO 55 21.202 16.548 -18.519 371 2HB PRO 55 1HB PRO 55 19.762 16.087 -19.435 372 1HG PRO 55 1HG PRO 55 18.783 17.309 -17.710 373 2HG PRO 55 2HG PRO 55 20.174 18.400 -17.575 374 1HD PRO 55 1HD PRO 55 17.893 18.467 -19.480 375 2HD PRO 55 2HD PRO 55 18.856 19.804 -18.821 376 H CYS 56 H CYS 56 22.821 17.651 -21.822 377 HA CYS 56 HA CYS 56 21.686 16.497 -24.096 378 1HB CYS 56 1HB CYS 56 24.570 16.278 -23.222 379 2HB CYS 56 2HB CYS 56 23.954 16.124 -24.863 380 H VAL 57 H VAL 57 23.034 14.343 -24.917 381 HA VAL 57 HA VAL 57 22.900 12.257 -22.898 382 HB VAL 57 HB VAL 57 20.567 12.514 -23.796 383 1HG1 VAL 57 1HG1 VAL 57 21.822 12.723 -26.233 384 2HG1 VAL 57 2HG1 VAL 57 21.160 11.089 -26.267 385 3HG1 VAL 57 3HG1 VAL 57 20.095 12.466 -25.978 386 1HG2 VAL 57 1HG2 VAL 57 21.844 10.313 -23.015 387 2HG2 VAL 57 2HG2 VAL 57 20.175 10.281 -23.583 388 3HG2 VAL 57 3HG2 VAL 57 21.486 9.833 -24.674 389 H LEU 58 H LEU 58 25.206 12.901 -23.920 390 HA LEU 58 HA LEU 58 25.696 11.183 -26.249 391 1HB LEU 58 1HB LEU 58 28.069 12.334 -25.919 392 2HB LEU 58 2HB LEU 58 26.770 13.092 -26.818 393 HG LEU 58 HG LEU 58 27.994 14.606 -25.246 394 1HD1 LEU 58 1HD1 LEU 58 25.242 14.391 -25.772 395 2HD1 LEU 58 2HD1 LEU 58 25.399 14.840 -24.074 396 3HD1 LEU 58 3HD1 LEU 58 26.154 15.832 -25.321 397 1HD2 LEU 58 1HD2 LEU 58 26.937 12.627 -23.295 398 2HD2 LEU 58 2HD2 LEU 58 28.481 13.474 -23.321 399 3HD2 LEU 58 3HD2 LEU 58 27.019 14.321 -22.818 400 HA PRO 59 HA PRO 59 27.967 10.850 -27.050 401 1HB PRO 59 1HB PRO 59 29.047 8.554 -27.920 402 2HB PRO 59 2HB PRO 59 29.957 9.680 -26.905 403 1HG PRO 59 1HG PRO 59 28.537 7.160 -26.133 404 2HG PRO 59 2HG PRO 59 30.132 7.744 -25.625 405 1HD PRO 59 1HD PRO 59 27.867 8.007 -24.111 406 2HD PRO 59 2HD PRO 59 29.252 9.113 -24.012 407 H PHE 60 H PHE 60 26.418 10.849 -28.572 408 HA PHE 60 HA PHE 60 24.596 8.538 -28.698 409 1HB PHE 60 1HB PHE 60 23.032 10.150 -29.836 410 2HB PHE 60 2HB PHE 60 23.391 10.540 -28.156 411 HD1 PHE 60 HD1 PHE 60 24.828 11.241 -31.526 412 HD2 PHE 60 HD2 PHE 60 23.757 12.750 -27.695 413 HE1 PHE 60 HE1 PHE 60 25.565 13.485 -32.210 414 HE2 PHE 60 HE2 PHE 60 24.491 15.000 -28.373 415 HZ PHE 60 HZ PHE 60 25.399 15.364 -30.632 416 H THR 61 H THR 61 23.495 8.590 -31.050 417 HA THR 61 HA THR 61 25.715 8.563 -32.988 418 HB THR 61 HB THR 61 23.498 6.861 -33.756 419 HG1 THR 61 HG1 THR 61 24.885 5.927 -31.473 420 1HG2 THR 61 1HG2 THR 61 26.445 6.459 -33.267 421 2HG2 THR 61 2HG2 THR 61 25.380 5.176 -33.845 422 3HG2 THR 61 3HG2 THR 61 25.617 6.631 -34.816 423 H TYR 62 H TYR 62 25.432 9.633 -34.864 424 HA TYR 62 HA TYR 62 22.730 10.461 -35.640 425 1HB TYR 62 1HB TYR 62 23.792 12.270 -34.267 426 2HB TYR 62 2HB TYR 62 25.034 12.403 -35.506 427 HD1 TYR 62 HD1 TYR 62 21.509 12.989 -34.716 428 HD2 TYR 62 HD2 TYR 62 24.557 13.421 -37.640 429 HE1 TYR 62 HE1 TYR 62 20.089 14.574 -35.953 430 HE2 TYR 62 HE2 TYR 62 23.162 15.010 -38.882 431 HH TYR 62 HH TYR 62 20.966 15.731 -39.126 432 H ASN 63 H ASN 63 22.430 9.906 -37.685 433 HA ASN 63 HA ASN 63 22.759 9.585 -39.911 434 1HB ASN 63 1HB ASN 63 24.269 11.830 -39.328 435 2HB ASN 63 2HB ASN 63 25.411 10.775 -40.155 436 2HD2 ASN 63 1HD2 ASN 63 23.880 13.307 -40.860 437 1HD2 ASN 63 2HD2 ASN 63 23.205 12.958 -42.412 438 H GLY 64 H GLY 64 24.425 8.152 -37.570 439 1HA GLY 64 1HA GLY 64 25.106 5.843 -38.045 440 2HA GLY 64 2HA GLY 64 25.910 6.457 -39.480 441 H ARG 65 H ARG 65 26.714 8.823 -37.586 442 HA ARG 65 HA ARG 65 29.163 7.497 -36.691 443 1HB ARG 65 2HB ARG 65 29.365 9.493 -38.144 444 2HB ARG 65 1HB ARG 65 30.158 9.695 -36.589 445 1HG ARG 65 1HG ARG 65 27.440 10.624 -36.468 446 2HG ARG 65 2HG ARG 65 28.943 11.477 -36.124 447 1HD ARG 65 1HD ARG 65 27.449 12.379 -38.003 448 2HD ARG 65 2HD ARG 65 29.176 12.212 -38.322 449 HE ARG 65 HE ARG 65 27.719 9.884 -39.072 450 1HH1 ARG 65 1HH1 ARG 65 28.574 13.103 -40.086 451 2HH1 ARG 65 2HH1 ARG 65 28.391 12.760 -41.774 452 1HH2 ARG 65 1HH2 ARG 65 27.474 9.420 -41.292 453 2HH2 ARG 65 2HH2 ARG 65 27.764 10.666 -42.459 454 H THR 66 H THR 66 29.958 9.338 -34.727 455 HA THR 66 HA THR 66 27.851 9.175 -32.694 456 HB THR 66 HB THR 66 30.656 8.126 -32.288 457 HG1 THR 66 HG1 THR 66 29.605 6.471 -33.203 458 1HG2 THR 66 1HG2 THR 66 28.327 8.440 -30.401 459 2HG2 THR 66 2HG2 THR 66 29.728 7.423 -30.062 460 3HG2 THR 66 3HG2 THR 66 29.930 9.164 -30.262 461 H PHE 67 H PHE 67 28.241 10.499 -30.807 462 HA PHE 67 HA PHE 67 30.362 12.486 -30.996 463 1HB PHE 67 1HB PHE 67 27.469 13.335 -30.811 464 2HB PHE 67 2HB PHE 67 28.878 14.384 -30.902 465 HD1 PHE 67 HD1 PHE 67 27.002 11.807 -32.807 466 HD2 PHE 67 HD2 PHE 67 29.640 15.146 -32.946 467 HE1 PHE 67 HE1 PHE 67 26.792 11.874 -35.258 468 HE2 PHE 67 HE2 PHE 67 29.433 15.214 -35.395 469 HZ PHE 67 HZ PHE 67 28.005 13.580 -36.550 470 H TYR 68 H TYR 68 31.254 12.412 -29.031 471 HA TYR 68 HA TYR 68 29.718 11.660 -26.710 472 1HB TYR 68 1HB TYR 68 32.599 12.545 -26.993 473 2HB TYR 68 2HB TYR 68 31.871 11.975 -25.495 474 HD1 TYR 68 HD1 TYR 68 32.362 10.893 -29.036 475 HD2 TYR 68 HD2 TYR 68 32.076 9.735 -24.952 476 HE1 TYR 68 HE1 TYR 68 32.905 8.579 -29.661 477 HE2 TYR 68 HE2 TYR 68 32.620 7.418 -25.567 478 HH TYR 68 HH TYR 68 33.178 6.026 -27.204 479 H SER 69 H SER 69 29.752 14.406 -28.374 480 HA SER 69 HA SER 69 28.860 15.986 -26.150 481 1HB SER 69 1HB SER 69 30.845 17.562 -27.586 482 2HB SER 69 2HB SER 69 30.621 17.355 -25.850 483 HG SER 69 HG SER 69 32.645 16.529 -26.914 484 H CYS 70 H CYS 70 28.766 18.462 -27.247 485 HA CYS 70 HA CYS 70 26.658 18.248 -29.102 486 1HB CYS 70 2HB CYS 70 26.525 20.573 -28.996 487 2HB CYS 70 1HB CYS 70 28.258 20.763 -28.767 488 H THR 71 H THR 71 26.643 19.412 -31.242 489 HA THR 71 HA THR 71 29.064 19.732 -32.695 490 HB THR 71 HB THR 71 28.837 17.190 -32.535 491 HG1 THR 71 HG1 THR 71 30.035 17.270 -34.271 492 1HG2 THR 71 1HG2 THR 71 26.436 17.850 -34.202 493 2HG2 THR 71 2HG2 THR 71 27.341 16.374 -34.529 494 3HG2 THR 71 3HG2 THR 71 26.626 16.635 -32.935 495 H THR 72 H THR 72 28.718 20.360 -34.913 496 HA THR 72 HA THR 72 25.968 21.310 -35.391 497 HB THR 72 HB THR 72 27.120 23.043 -36.878 498 HG1 THR 72 HG1 THR 72 29.207 21.821 -36.670 499 1HG2 THR 72 1HG2 THR 72 27.594 23.129 -33.897 500 2HG2 THR 72 2HG2 THR 72 27.616 24.522 -34.978 501 3HG2 THR 72 3HG2 THR 72 26.119 23.621 -34.730 502 H GLU 73 H GLU 73 26.057 18.911 -36.246 503 HA GLU 73 HA GLU 73 27.096 18.810 -38.976 504 1HB GLU 73 1HB GLU 73 26.506 16.372 -38.807 505 2HB GLU 73 2HB GLU 73 27.715 16.923 -37.653 506 1HG GLU 73 1HG GLU 73 26.167 16.889 -35.880 507 2HG GLU 73 2HG GLU 73 24.807 16.663 -36.977 508 H GLY 74 H GLY 74 24.073 18.360 -37.190 509 1HA GLY 74 1HA GLY 74 22.578 18.079 -39.669 510 2HA GLY 74 2HA GLY 74 21.933 17.942 -38.043 511 H ARG 75 H ARG 75 23.861 20.652 -39.190 512 HA ARG 75 HA ARG 75 21.567 22.308 -39.701 513 1HB ARG 75 1HB ARG 75 22.124 23.959 -37.912 514 2HB ARG 75 2HB ARG 75 21.494 22.433 -37.311 515 1HG ARG 75 1HG ARG 75 23.729 21.705 -36.726 516 2HG ARG 75 2HG ARG 75 24.404 23.194 -37.392 517 1HD ARG 75 1HD ARG 75 22.878 22.751 -34.881 518 2HD ARG 75 2HD ARG 75 24.299 23.750 -35.175 519 HE ARG 75 HE ARG 75 22.921 25.496 -35.766 520 1HH1 ARG 75 1HH1 ARG 75 21.072 22.558 -35.492 521 2HH1 ARG 75 2HH1 ARG 75 19.539 23.358 -35.597 522 1HH2 ARG 75 1HH2 ARG 75 20.907 26.561 -35.904 523 2HH2 ARG 75 2HH2 ARG 75 19.446 25.635 -35.831 524 H GLN 76 H GLN 76 22.108 24.378 -40.539 525 HA GLN 76 HA GLN 76 24.892 24.542 -41.482 526 1HB GLN 76 1HB GLN 76 24.138 25.554 -43.466 527 2HB GLN 76 2HB GLN 76 22.987 24.259 -43.168 528 1HG GLN 76 1HG GLN 76 21.407 25.862 -42.239 529 2HG GLN 76 2HG GLN 76 22.564 27.165 -42.507 530 2HE2 GLN 76 1HE2 GLN 76 20.845 24.589 -44.225 531 1HE2 GLN 76 2HE2 GLN 76 20.614 25.479 -45.687 532 H ASP 77 H ASP 77 23.330 25.662 -39.030 533 HA ASP 77 HA ASP 77 23.669 28.516 -39.376 534 1HB ASP 77 1HB ASP 77 21.909 27.146 -37.906 535 2HB ASP 77 2HB ASP 77 23.170 27.336 -36.690 536 H GLY 78 H GLY 78 24.970 26.067 -37.146 537 1HA GLY 78 1HA GLY 78 27.466 25.998 -37.052 538 2HA GLY 78 2HA GLY 78 27.390 27.746 -36.923 539 H HIS 79 H HIS 79 24.819 26.669 -35.195 540 HA HIS 79 HA HIS 79 26.250 27.042 -32.697 541 1HB HIS 79 1HB HIS 79 23.315 26.466 -32.854 542 2HB HIS 79 2HB HIS 79 24.194 27.486 -31.718 543 HD1 HIS 79 HD1 HIS 79 25.647 28.869 -34.387 544 HD2 HIS 79 HD2 HIS 79 21.634 28.747 -33.321 545 HE1 HIS 79 HE1 HIS 79 24.575 30.804 -35.583 546 HE2 HIS 79 HE2 HIS 79 22.131 30.655 -34.994 547 H LEU 80 H LEU 80 27.051 25.397 -31.593 548 HA LEU 80 HA LEU 80 26.792 22.720 -32.247 549 1HB LEU 80 1HB LEU 80 27.614 24.151 -29.744 550 2HB LEU 80 2HB LEU 80 27.464 22.407 -29.739 551 HG LEU 80 HG LEU 80 29.121 22.256 -31.556 552 1HD1 LEU 80 1HD1 LEU 80 28.621 24.508 -32.509 553 2HD1 LEU 80 2HD1 LEU 80 29.515 25.216 -31.163 554 3HD1 LEU 80 3HD1 LEU 80 30.339 24.162 -32.312 555 1HD2 LEU 80 1HD2 LEU 80 29.851 22.089 -29.238 556 2HD2 LEU 80 2HD2 LEU 80 31.074 22.888 -30.225 557 3HD2 LEU 80 3HD2 LEU 80 30.040 23.840 -29.159 558 H TRP 81 H TRP 81 25.506 21.050 -31.565 559 HA TRP 81 HA TRP 81 23.343 21.650 -29.688 560 1HB TRP 81 2HB TRP 81 22.524 22.023 -32.029 561 2HB TRP 81 1HB TRP 81 21.642 20.780 -31.146 562 HD1 TRP 81 HD1 TRP 81 23.797 21.299 -34.205 563 HE1 TRP 81 HE1 TRP 81 23.916 19.111 -35.540 564 HE3 TRP 81 HE3 TRP 81 21.627 18.151 -30.809 565 HZ2 TRP 81 HZ2 TRP 81 23.188 16.402 -35.210 566 HZ3 TRP 81 HZ3 TRP 81 21.377 15.776 -31.398 567 HH2 TRP 81 HH2 TRP 81 22.141 14.921 -33.553 568 H CYS 82 H CYS 82 22.380 19.797 -28.734 569 HA CYS 82 HA CYS 82 23.756 17.251 -29.188 570 1HB CYS 82 1HB CYS 82 24.043 16.881 -26.803 571 2HB CYS 82 2HB CYS 82 24.855 18.369 -27.274 572 H SER 83 H SER 83 22.590 15.496 -27.770 573 HA SER 83 HA SER 83 19.718 15.858 -28.264 574 1HB SER 83 1HB SER 83 20.471 13.991 -29.482 575 2HB SER 83 2HB SER 83 21.488 13.424 -28.158 576 HG SER 83 HG SER 83 19.735 12.152 -28.048 577 H THR 84 H THR 84 18.354 16.021 -26.608 578 HA THR 84 HA THR 84 19.307 15.932 -23.923 579 HB THR 84 HB THR 84 17.279 16.810 -23.269 580 HG1 THR 84 HG1 THR 84 15.920 15.130 -23.922 581 1HG2 THR 84 1HG2 THR 84 18.360 18.181 -25.083 582 2HG2 THR 84 2HG2 THR 84 17.194 17.483 -26.206 583 3HG2 THR 84 3HG2 THR 84 16.635 18.468 -24.854 584 H THR 85 H THR 85 18.396 13.476 -25.973 585 HA THR 85 HA THR 85 18.318 11.584 -23.824 586 HB THR 85 HB THR 85 15.852 12.609 -24.421 587 HG1 THR 85 HG1 THR 85 16.878 10.431 -23.115 588 1HG2 THR 85 1HG2 THR 85 16.128 10.024 -25.961 589 2HG2 THR 85 2HG2 THR 85 14.604 10.831 -25.590 590 3HG2 THR 85 3HG2 THR 85 15.782 11.614 -26.645 591 H SER 86 H SER 86 18.630 9.444 -24.504 592 HA SER 86 HA SER 86 20.226 9.027 -26.696 593 1HB SER 86 1HB SER 86 18.952 6.575 -26.363 594 2HB SER 86 2HB SER 86 20.410 7.118 -25.530 595 HG SER 86 HG SER 86 17.724 7.306 -24.645 596 H ASN 87 H ASN 87 16.741 8.301 -26.482 597 HA ASN 87 HA ASN 87 16.555 7.598 -29.247 598 1HB ASN 87 1HB ASN 87 14.894 7.420 -26.952 599 2HB ASN 87 2HB ASN 87 13.998 8.304 -28.182 600 2HD2 ASN 87 1HD2 ASN 87 15.033 7.095 -30.461 601 1HD2 ASN 87 2HD2 ASN 87 14.499 5.453 -30.508 602 H TYR 88 H TYR 88 17.726 9.804 -29.713 603 HA TYR 88 HA TYR 88 16.050 12.127 -29.732 604 1HB TYR 88 1HB TYR 88 18.377 12.559 -29.637 605 2HB TYR 88 2HB TYR 88 18.713 11.483 -30.988 606 HD1 TYR 88 HD1 TYR 88 17.494 14.799 -30.014 607 HD2 TYR 88 HD2 TYR 88 18.370 12.213 -33.273 608 HE1 TYR 88 HE1 TYR 88 17.380 16.713 -31.552 609 HE2 TYR 88 HE2 TYR 88 18.258 14.119 -34.823 610 HH TYR 88 HH TYR 88 18.333 16.443 -34.892 611 H GLU 89 H GLU 89 16.690 9.479 -31.864 612 HA GLU 89 HA GLU 89 15.709 10.682 -34.246 613 1HB GLU 89 1HB GLU 89 16.287 7.866 -33.391 614 2HB GLU 89 2HB GLU 89 15.449 8.173 -34.905 615 1HG GLU 89 1HG GLU 89 17.612 9.888 -34.990 616 2HG GLU 89 2HG GLU 89 18.257 8.425 -34.247 617 H GLN 90 H GLN 90 14.189 9.605 -31.436 618 HA GLN 90 HA GLN 90 11.635 9.206 -32.842 619 1HB GLN 90 1HB GLN 90 11.968 7.301 -31.540 620 2HB GLN 90 2HB GLN 90 12.692 8.210 -30.221 621 1HG GLN 90 2HG GLN 90 10.425 9.230 -29.829 622 2HG GLN 90 1HG GLN 90 10.582 7.514 -29.458 623 2HE2 GLN 90 1HE2 GLN 90 9.222 6.126 -30.377 624 1HE2 GLN 90 2HE2 GLN 90 8.102 6.511 -31.635 625 H ASP 91 H ASP 91 13.091 10.815 -30.045 626 HA ASP 91 HA ASP 91 10.720 12.395 -29.565 627 1HB ASP 91 1HB ASP 91 12.601 11.531 -27.885 628 2HB ASP 91 2HB ASP 91 13.325 13.084 -28.293 629 H GLN 92 H GLN 92 13.727 12.719 -31.261 630 HA GLN 92 HA GLN 92 14.686 14.422 -32.434 631 1HB GLN 92 1HB GLN 92 12.284 13.972 -33.484 632 2HB GLN 92 2HB GLN 92 12.004 15.620 -32.941 633 1HG GLN 92 1HG GLN 92 13.015 16.385 -34.746 634 2HG GLN 92 2HG GLN 92 14.504 15.577 -34.258 635 2HE2 GLN 92 1HE2 GLN 92 14.571 13.205 -34.797 636 1HE2 GLN 92 2HE2 GLN 92 13.961 12.739 -36.345 637 H LYS 93 H LYS 93 14.941 15.002 -29.876 638 HA LYS 93 HA LYS 93 14.402 17.887 -29.762 639 1HB LYS 93 2HB LYS 93 13.019 16.297 -28.172 640 2HB LYS 93 1HB LYS 93 13.631 17.842 -27.602 641 1HG LYS 93 1HG LYS 93 15.614 16.608 -26.684 642 2HG LYS 93 2HG LYS 93 14.070 16.263 -25.907 643 1HD LYS 93 1HD LYS 93 14.148 14.109 -26.487 644 2HD LYS 93 2HD LYS 93 14.598 14.494 -28.147 645 1HE LYS 93 1HE LYS 93 16.795 15.035 -26.387 646 2HE LYS 93 2HE LYS 93 16.216 13.390 -26.132 647 1HZ LYS 93 1HZ LYS 93 16.314 13.876 -28.887 648 2HZ LYS 93 2HZ LYS 93 17.791 14.369 -28.224 649 3HZ LYS 93 3HZ LYS 93 17.240 12.787 -27.981 650 H TYR 94 H TYR 94 16.232 18.954 -29.810 651 HA TYR 94 HA TYR 94 18.615 17.735 -28.584 652 1HB TYR 94 1HB TYR 94 19.968 18.823 -30.275 653 2HB TYR 94 2HB TYR 94 18.722 17.865 -31.055 654 HD1 TYR 94 HD1 TYR 94 19.491 21.348 -29.987 655 HD2 TYR 94 HD2 TYR 94 17.349 18.834 -32.668 656 HE1 TYR 94 HE1 TYR 94 18.784 23.325 -31.267 657 HE2 TYR 94 HE2 TYR 94 16.636 20.804 -33.955 658 HH TYR 94 HH TYR 94 18.035 23.698 -33.814 659 H SER 95 H SER 95 20.347 19.471 -28.173 660 HA SER 95 HA SER 95 19.182 21.961 -27.164 661 1HB SER 95 1HB SER 95 21.129 21.191 -25.270 662 2HB SER 95 2HB SER 95 19.386 21.310 -25.029 663 HG SER 95 HG SER 95 19.899 19.237 -24.540 664 H PHE 96 H PHE 96 20.510 23.711 -27.342 665 HA PHE 96 HA PHE 96 22.759 23.454 -29.070 666 1HB PHE 96 1HB PHE 96 21.355 25.721 -27.741 667 2HB PHE 96 2HB PHE 96 22.965 25.996 -28.395 668 HD1 PHE 96 HD1 PHE 96 21.310 23.469 -30.209 669 HD2 PHE 96 HD2 PHE 96 21.545 27.692 -29.753 670 HE1 PHE 96 HE1 PHE 96 20.353 23.757 -32.453 671 HE2 PHE 96 HE2 PHE 96 20.581 27.987 -32.001 672 HZ PHE 96 HZ PHE 96 19.978 26.012 -33.347 673 H CYS 97 H CYS 97 24.717 24.983 -28.446 674 HA CYS 97 HA CYS 97 25.610 24.709 -25.724 675 1HB CYS 97 1HB CYS 97 27.089 23.221 -27.902 676 2HB CYS 97 2HB CYS 97 27.562 23.335 -26.211 677 H THR 98 H THR 98 26.949 26.331 -25.233 678 HA THR 98 HA THR 98 27.704 28.182 -27.315 679 HB THR 98 HB THR 98 27.763 29.753 -25.715 680 HG1 THR 98 HG1 THR 98 29.757 29.115 -24.875 681 1HG2 THR 98 1HG2 THR 98 25.854 28.036 -25.075 682 2HG2 THR 98 2HG2 THR 98 26.842 27.846 -23.626 683 3HG2 THR 98 3HG2 THR 98 26.211 29.433 -24.061 684 H ASP 99 H ASP 99 29.306 26.027 -25.033 685 HA ASP 99 HA ASP 99 31.405 25.139 -25.009 686 1HB ASP 99 1HB ASP 99 30.848 25.364 -27.669 687 2HB ASP 99 2HB ASP 99 32.304 26.345 -27.545 688 H HIS 100 H HIS 100 31.650 28.288 -26.670 689 HA HIS 100 HA HIS 100 33.238 29.320 -24.457 690 1HB HIS 100 1HB HIS 100 34.304 28.705 -27.147 691 2HB HIS 100 2HB HIS 100 34.738 30.283 -26.497 692 HD1 HIS 100 HD1 HIS 100 36.050 30.254 -24.175 693 HD2 HIS 100 HD2 HIS 100 35.699 26.589 -26.102 694 HE1 HIS 100 HE1 HIS 100 37.760 28.759 -23.094 695 HE2 HIS 100 HE2 HIS 100 37.590 26.575 -24.338 696 H THR 101 H THR 101 32.952 30.515 -27.766 697 HA THR 101 HA THR 101 31.400 32.796 -26.728 698 HB THR 101 HB THR 101 32.552 34.273 -28.044 699 HG1 THR 101 HG1 THR 101 32.810 33.846 -30.095 700 1HG2 THR 101 1HG2 THR 101 34.117 32.787 -26.540 701 2HG2 THR 101 2HG2 THR 101 34.770 32.278 -28.097 702 3HG2 THR 101 3HG2 THR 101 34.799 33.982 -27.643 No H/Q in entry = 702 Start of MODEL 45 1 H1 TYR 1 H1 TYR 1 40.904 4.044 -45.697 2 H2 TYR 1 H2 TYR 1 40.631 4.374 -47.333 3 H3 TYR 1 H3 TYR 1 40.299 2.835 -46.713 4 HA TYR 1 HA TYR 1 42.372 2.141 -46.960 5 1HB TYR 1 1HB TYR 1 42.451 4.768 -48.449 6 2HB TYR 1 2HB TYR 1 43.746 3.579 -48.543 7 HD1 TYR 1 HD1 TYR 1 42.471 1.044 -48.806 8 HD2 TYR 1 HD2 TYR 1 41.252 4.788 -50.416 9 HE1 TYR 1 HE1 TYR 1 41.268 -0.127 -50.602 10 HE2 TYR 1 HE2 TYR 1 40.046 3.629 -52.216 11 HH TYR 1 HH TYR 1 39.574 0.191 -52.197 12 H GLY 2 H GLY 2 42.309 5.488 -45.842 13 1HA GLY 2 1HA GLY 2 44.981 5.274 -44.717 14 2HA GLY 2 2HA GLY 2 43.936 6.686 -44.666 15 H HIS 3 H HIS 3 44.947 3.815 -43.050 16 HA HIS 3 HA HIS 3 42.903 3.845 -41.045 17 1HB HIS 3 1HB HIS 3 45.402 2.310 -41.535 18 2HB HIS 3 2HB HIS 3 44.807 2.372 -39.880 19 HD1 HIS 3 HD1 HIS 3 43.439 1.523 -43.330 20 HD2 HIS 3 HD2 HIS 3 42.983 0.452 -39.342 21 HE1 HIS 3 HE1 HIS 3 41.800 -0.384 -43.329 22 HE2 HIS 3 HE2 HIS 3 41.476 -0.961 -40.898 23 H CYS 4 H CYS 4 43.212 4.315 -38.800 24 HA CYS 4 HA CYS 4 45.207 6.440 -38.356 25 1HB CYS 4 1HB CYS 4 43.438 6.828 -36.348 26 2HB CYS 4 2HB CYS 4 43.309 7.601 -37.921 27 H VAL 5 H VAL 5 46.801 5.992 -36.991 28 HA VAL 5 HA VAL 5 46.341 3.939 -34.924 29 HB VAL 5 HB VAL 5 48.985 4.490 -36.272 30 1HG1 VAL 5 1HG1 VAL 5 48.036 2.588 -34.178 31 2HG1 VAL 5 2HG1 VAL 5 49.352 2.112 -35.252 32 3HG1 VAL 5 3HG1 VAL 5 49.514 3.547 -34.238 33 1HG2 VAL 5 1HG2 VAL 5 47.295 3.546 -37.835 34 2HG2 VAL 5 2HG2 VAL 5 48.670 2.479 -37.548 35 3HG2 VAL 5 3HG2 VAL 5 47.127 2.164 -36.753 36 H THR 6 H THR 6 46.976 4.391 -32.875 37 HA THR 6 HA THR 6 47.528 7.125 -32.219 38 HB THR 6 HB THR 6 47.691 6.220 -29.854 39 HG1 THR 6 HG1 THR 6 46.607 3.831 -30.903 40 1HG2 THR 6 1HG2 THR 6 45.524 6.835 -31.376 41 2HG2 THR 6 2HG2 THR 6 45.116 5.206 -30.843 42 3HG2 THR 6 3HG2 THR 6 45.457 6.462 -29.654 43 H ASP 7 H ASP 7 49.226 4.406 -30.751 44 HA ASP 7 HA ASP 7 51.771 5.749 -31.378 45 1HB ASP 7 1HB ASP 7 52.467 4.295 -29.251 46 2HB ASP 7 2HB ASP 7 51.776 5.908 -29.094 47 H SER 8 H SER 8 50.164 2.640 -30.937 48 HA SER 8 HA SER 8 51.083 1.263 -33.040 49 1HB SER 8 1HB SER 8 53.376 1.612 -32.678 50 2HB SER 8 2HB SER 8 53.231 1.383 -30.936 51 HG SER 8 HG SER 8 53.713 -0.443 -32.866 52 H GLY 9 H GLY 9 48.897 1.107 -31.450 53 1HA GLY 9 1HA GLY 9 49.016 -1.682 -30.581 54 2HA GLY 9 2HA GLY 9 48.488 -0.496 -29.398 55 H VAL 10 H VAL 10 47.015 1.178 -31.128 56 HA VAL 10 HA VAL 10 44.788 -0.618 -31.842 57 HB VAL 10 HB VAL 10 44.271 2.253 -31.244 58 1HG1 VAL 10 1HG1 VAL 10 42.805 -0.346 -31.064 59 2HG1 VAL 10 2HG1 VAL 10 42.259 1.045 -30.129 60 3HG1 VAL 10 3HG1 VAL 10 42.346 1.144 -31.887 61 1HG2 VAL 10 1HG2 VAL 10 45.455 0.396 -29.350 62 2HG2 VAL 10 2HG2 VAL 10 45.190 2.134 -29.213 63 3HG2 VAL 10 3HG2 VAL 10 43.894 1.009 -28.806 64 H VAL 11 H VAL 11 45.166 -0.858 -34.009 65 HA VAL 11 HA VAL 11 45.735 1.414 -35.695 66 HB VAL 11 HB VAL 11 44.903 -1.191 -36.870 67 1HG1 VAL 11 1HG1 VAL 11 46.003 1.109 -37.851 68 2HG1 VAL 11 2HG1 VAL 11 47.418 0.072 -37.664 69 3HG1 VAL 11 3HG1 VAL 11 46.056 -0.464 -38.648 70 1HG2 VAL 11 1HG2 VAL 11 47.222 -0.813 -35.048 71 2HG2 VAL 11 2HG2 VAL 11 46.213 -2.234 -35.315 72 3HG2 VAL 11 3HG2 VAL 11 47.450 -1.796 -36.492 73 H TYR 12 H TYR 12 43.878 2.701 -35.318 74 HA TYR 12 HA TYR 12 41.233 1.792 -35.825 75 1HB TYR 12 1HB TYR 12 42.426 4.563 -35.678 76 2HB TYR 12 2HB TYR 12 40.707 4.263 -35.889 77 HD1 TYR 12 HD1 TYR 12 39.617 2.709 -34.076 78 HD2 TYR 12 HD2 TYR 12 43.264 4.832 -33.556 79 HE1 TYR 12 HE1 TYR 12 39.347 2.556 -31.634 80 HE2 TYR 12 HE2 TYR 12 43.007 4.688 -31.110 81 HH TYR 12 HH TYR 12 41.568 2.825 -29.518 82 H SER 13 H SER 13 40.025 3.526 -37.447 83 HA SER 13 HA SER 13 41.388 3.474 -40.029 84 1HB SER 13 1HB SER 13 39.046 1.876 -39.277 85 2HB SER 13 2HB SER 13 38.814 2.829 -40.741 86 HG SER 13 HG SER 13 40.008 1.431 -41.733 87 H VAL 14 H VAL 14 40.754 5.081 -41.452 88 HA VAL 14 HA VAL 14 40.121 7.543 -40.551 89 HB VAL 14 HB VAL 14 40.840 7.345 -42.795 90 1HG1 VAL 14 1HG1 VAL 14 39.309 5.100 -42.923 91 2HG1 VAL 14 2HG1 VAL 14 38.397 6.211 -43.947 92 3HG1 VAL 14 3HG1 VAL 14 40.090 5.867 -44.305 93 1HG2 VAL 14 1HG2 VAL 14 38.720 8.938 -42.096 94 2HG2 VAL 14 2HG2 VAL 14 39.659 9.075 -43.582 95 3HG2 VAL 14 3HG2 VAL 14 38.150 8.164 -43.574 96 H GLY 15 H GLY 15 38.512 7.452 -38.933 97 1HA GLY 15 1HA GLY 15 36.274 8.410 -38.736 98 2HA GLY 15 2HA GLY 15 35.772 7.325 -40.017 99 H MET 16 H MET 16 37.815 6.351 -37.322 100 HA MET 16 HA MET 16 35.618 4.615 -36.414 101 1HB MET 16 1HB MET 16 38.484 4.203 -36.778 102 2HB MET 16 2HB MET 16 37.913 3.673 -35.204 103 1HG MET 16 1HG MET 16 36.101 2.782 -37.226 104 2HG MET 16 2HG MET 16 37.747 2.319 -37.657 105 1HE MET 16 1HE MET 16 38.892 0.551 -36.962 106 2HE MET 16 2HE MET 16 39.360 0.993 -35.320 107 3HE MET 16 3HE MET 16 38.578 -0.558 -35.627 108 H GLN 17 H GLN 17 35.416 7.148 -35.570 109 HA GLN 17 HA GLN 17 36.563 8.313 -33.522 110 1HB GLN 17 1HB GLN 17 34.032 8.386 -34.503 111 2HB GLN 17 2HB GLN 17 33.736 7.779 -32.880 112 1HG GLN 17 1HG GLN 17 35.406 9.804 -32.320 113 2HG GLN 17 2HG GLN 17 34.640 10.428 -33.780 114 2HE2 GLN 17 1HE2 GLN 17 32.180 8.871 -33.156 115 1HE2 GLN 17 2HE2 GLN 17 31.374 9.780 -31.928 116 H TRP 18 H TRP 18 37.266 7.928 -31.536 117 HA TRP 18 HA TRP 18 36.083 5.781 -29.956 118 1HB TRP 18 1HB TRP 18 38.174 4.722 -29.461 119 2HB TRP 18 2HB TRP 18 38.042 4.833 -31.213 120 HD1 TRP 18 HD1 TRP 18 39.997 6.290 -28.259 121 HE1 TRP 18 HE1 TRP 18 42.124 7.415 -29.163 122 HE3 TRP 18 HE3 TRP 18 39.036 5.947 -33.269 123 HZ2 TRP 18 HZ2 TRP 18 43.249 8.077 -31.675 124 HZ3 TRP 18 HZ3 TRP 18 40.682 6.846 -34.851 125 HH2 TRP 18 HH2 TRP 18 42.746 7.889 -34.070 126 H LEU 19 H LEU 19 37.568 5.778 -27.750 127 HA LEU 19 HA LEU 19 38.062 8.543 -26.955 128 1HB LEU 19 1HB LEU 19 35.689 8.137 -26.480 129 2HB LEU 19 2HB LEU 19 36.119 6.734 -25.520 130 HG LEU 19 HG LEU 19 37.592 8.737 -24.337 131 1HD1 LEU 19 1HD1 LEU 19 35.730 10.072 -25.899 132 2HD1 LEU 19 2HD1 LEU 19 35.027 10.069 -24.282 133 3HD1 LEU 19 3HD1 LEU 19 36.639 10.734 -24.541 134 1HD2 LEU 19 1HD2 LEU 19 35.061 7.305 -23.753 135 2HD2 LEU 19 2HD2 LEU 19 36.584 7.324 -22.866 136 3HD2 LEU 19 3HD2 LEU 19 35.472 8.687 -22.737 137 H LYS 20 H LYS 20 39.655 8.760 -25.509 138 HA LYS 20 HA LYS 20 40.800 6.289 -24.384 139 1HB LYS 20 1HB LYS 20 42.950 7.433 -24.356 140 2HB LYS 20 2HB LYS 20 42.268 7.459 -25.976 141 1HG LYS 20 1HG LYS 20 41.562 9.756 -25.672 142 2HG LYS 20 2HG LYS 20 42.159 9.740 -24.013 143 1HD LYS 20 1HD LYS 20 44.083 8.974 -26.126 144 2HD LYS 20 2HD LYS 20 43.593 10.669 -26.077 145 1HE LYS 20 1HE LYS 20 44.752 11.066 -24.203 146 2HE LYS 20 2HE LYS 20 44.225 9.561 -23.451 147 1HZ LYS 20 1HZ LYS 20 45.890 8.398 -24.834 148 2HZ LYS 20 2HZ LYS 20 46.449 9.895 -25.388 149 3HZ LYS 20 3HZ LYS 20 46.581 9.498 -23.751 150 H THR 21 H THR 21 41.978 6.604 -22.292 151 HA THR 21 HA THR 21 40.788 8.711 -20.627 152 HB THR 21 HB THR 21 41.039 6.422 -18.983 153 HG1 THR 21 HG1 THR 21 40.809 5.377 -21.176 154 1HG2 THR 21 1HG2 THR 21 38.696 7.969 -20.073 155 2HG2 THR 21 2HG2 THR 21 38.519 6.684 -18.878 156 3HG2 THR 21 3HG2 THR 21 39.462 8.124 -18.492 157 H GLN 22 H GLN 22 42.173 9.645 -19.240 158 HA GLN 22 HA GLN 22 44.937 8.749 -19.270 159 1HB GLN 22 1HB GLN 22 43.628 11.215 -18.115 160 2HB GLN 22 2HB GLN 22 45.353 10.888 -18.037 161 1HG GLN 22 1HG GLN 22 44.119 10.781 -20.715 162 2HG GLN 22 2HG GLN 22 44.212 12.366 -19.949 163 2HE2 GLN 22 1HE2 GLN 22 46.538 9.878 -19.289 164 1HE2 GLN 22 2HE2 GLN 22 47.863 10.609 -20.124 165 H GLY 23 H GLY 23 42.416 7.762 -17.565 166 1HA GLY 23 1HA GLY 23 42.832 6.238 -15.725 167 2HA GLY 23 2HA GLY 23 44.033 7.370 -15.129 168 H ASN 24 H ASN 24 42.793 9.733 -15.083 169 HA ASN 24 HA ASN 24 40.382 9.296 -13.449 170 1HB ASN 24 1HB ASN 24 42.686 11.174 -12.901 171 2HB ASN 24 2HB ASN 24 41.151 11.230 -12.040 172 2HD2 ASN 24 1HD2 ASN 24 42.223 10.800 -10.090 173 1HD2 ASN 24 2HD2 ASN 24 42.779 9.213 -9.698 174 H LYS 25 H LYS 25 41.339 10.458 -16.275 175 HA LYS 25 HA LYS 25 39.427 12.699 -16.205 176 1HB LYS 25 2HB LYS 25 40.756 13.816 -17.941 177 2HB LYS 25 1HB LYS 25 41.923 12.502 -17.902 178 1HG LYS 25 1HG LYS 25 41.691 14.827 -16.196 179 2HG LYS 25 2HG LYS 25 41.776 13.328 -15.269 180 1HD LYS 25 1HD LYS 25 43.898 12.866 -15.954 181 2HD LYS 25 2HD LYS 25 43.672 13.632 -17.528 182 1HE LYS 25 1HE LYS 25 43.692 15.322 -15.070 183 2HE LYS 25 2HE LYS 25 45.220 14.722 -15.713 184 1HZ LYS 25 1HZ LYS 25 43.305 16.062 -17.503 185 2HZ LYS 25 2HZ LYS 25 44.309 16.988 -16.505 186 3HZ LYS 25 3HZ LYS 25 44.987 15.933 -17.638 187 H GLN 26 H GLN 26 39.134 13.242 -18.820 188 HA GLN 26 HA GLN 26 38.497 10.719 -20.167 189 1HB GLN 26 1HB GLN 26 36.541 13.002 -19.851 190 2HB GLN 26 2HB GLN 26 36.267 11.529 -20.771 191 1HG GLN 26 1HG GLN 26 36.881 10.482 -18.368 192 2HG GLN 26 2HG GLN 26 36.144 12.006 -17.873 193 2HE2 GLN 26 1HE2 GLN 26 34.762 10.066 -16.999 194 1HE2 GLN 26 2HE2 GLN 26 33.377 9.694 -17.962 195 H MET 27 H MET 27 39.225 10.737 -22.184 196 HA MET 27 HA MET 27 39.344 13.287 -23.642 197 1HB MET 27 1HB MET 27 41.580 11.787 -22.702 198 2HB MET 27 2HB MET 27 41.544 11.671 -24.456 199 1HG MET 27 1HG MET 27 41.199 14.250 -24.334 200 2HG MET 27 2HG MET 27 41.888 14.066 -22.722 201 1HE MET 27 1HE MET 27 43.826 14.590 -22.282 202 2HE MET 27 2HE MET 27 45.344 14.051 -22.998 203 3HE MET 27 3HE MET 27 44.583 15.539 -23.560 204 H LEU 28 H LEU 28 38.325 13.134 -25.534 205 HA LEU 28 HA LEU 28 37.804 10.468 -26.644 206 1HB LEU 28 1HB LEU 28 35.859 11.905 -26.286 207 2HB LEU 28 2HB LEU 28 36.573 13.147 -27.299 208 HG LEU 28 HG LEU 28 36.516 10.810 -28.867 209 1HD1 LEU 28 1HD1 LEU 28 34.200 11.040 -27.046 210 2HD1 LEU 28 2HD1 LEU 28 33.856 10.704 -28.742 211 3HD1 LEU 28 3HD1 LEU 28 34.901 9.621 -27.823 212 1HD2 LEU 28 1HD2 LEU 28 35.477 13.520 -28.880 213 2HD2 LEU 28 2HD2 LEU 28 36.079 12.532 -30.212 214 3HD2 LEU 28 3HD2 LEU 28 34.400 12.382 -29.690 215 H CYS 29 H CYS 29 38.931 9.762 -28.338 216 HA CYS 29 HA CYS 29 40.392 11.748 -29.949 217 1HB CYS 29 1HB CYS 29 41.086 9.059 -28.928 218 2HB CYS 29 2HB CYS 29 41.639 9.431 -30.556 219 H THR 30 H THR 30 40.198 11.777 -32.128 220 HA THR 30 HA THR 30 38.687 9.642 -33.450 221 HB THR 30 HB THR 30 38.013 12.572 -33.787 222 HG1 THR 30 HG1 THR 30 36.172 12.107 -32.665 223 1HG2 THR 30 1HG2 THR 30 36.861 10.091 -35.079 224 2HG2 THR 30 2HG2 THR 30 36.181 11.711 -35.223 225 3HG2 THR 30 3HG2 THR 30 37.779 11.365 -35.882 226 H CYS 31 H CYS 31 39.144 9.376 -35.626 227 HA CYS 31 HA CYS 31 41.421 10.957 -36.617 228 1HB CYS 31 1HB CYS 31 42.037 8.958 -37.951 229 2HB CYS 31 2HB CYS 31 42.090 8.666 -36.215 230 H LEU 32 H LEU 32 40.634 12.408 -37.984 231 HA LEU 32 HA LEU 32 38.291 11.905 -39.568 232 1HB LEU 32 1HB LEU 32 39.198 14.206 -40.594 233 2HB LEU 32 2HB LEU 32 38.271 14.115 -39.109 234 HG LEU 32 HG LEU 32 41.223 13.920 -38.861 235 1HD1 LEU 32 1HD1 LEU 32 40.047 16.014 -40.343 236 2HD1 LEU 32 2HD1 LEU 32 40.505 16.670 -38.770 237 3HD1 LEU 32 3HD1 LEU 32 41.711 15.868 -39.776 238 1HD2 LEU 32 1HD2 LEU 32 39.018 15.260 -37.302 239 2HD2 LEU 32 2HD2 LEU 32 39.872 13.777 -36.879 240 3HD2 LEU 32 3HD2 LEU 32 40.726 15.320 -36.870 241 H GLY 33 H GLY 33 40.990 13.562 -41.049 242 1HA GLY 33 1HA GLY 33 41.438 11.291 -42.854 243 2HA GLY 33 2HA GLY 33 40.935 12.824 -43.545 244 H ASN 34 H ASN 34 42.417 14.576 -41.968 245 HA ASN 34 HA ASN 34 44.985 14.315 -43.222 246 1HB ASN 34 1HB ASN 34 45.436 16.470 -41.875 247 2HB ASN 34 2HB ASN 34 44.216 16.528 -43.143 248 2HD2 ASN 34 1HD2 ASN 34 44.717 16.255 -39.683 249 1HD2 ASN 34 2HD2 ASN 34 43.175 16.881 -39.221 250 H GLY 35 H GLY 35 43.652 13.749 -40.055 251 1HA GLY 35 1HA GLY 35 45.937 12.256 -39.248 252 2HA GLY 35 2HA GLY 35 45.906 13.820 -38.451 253 H VAL 36 H VAL 36 45.297 13.467 -36.418 254 HA VAL 36 HA VAL 36 42.711 12.194 -35.952 255 HB VAL 36 HB VAL 36 45.307 11.256 -34.756 256 1HG1 VAL 36 1HG1 VAL 36 42.738 11.519 -33.398 257 2HG1 VAL 36 2HG1 VAL 36 43.383 9.877 -33.375 258 3HG1 VAL 36 3HG1 VAL 36 44.344 11.212 -32.738 259 1HG2 VAL 36 1HG2 VAL 36 43.292 10.197 -36.541 260 2HG2 VAL 36 2HG2 VAL 36 44.927 9.623 -36.214 261 3HG2 VAL 36 3HG2 VAL 36 43.595 9.126 -35.172 262 H SER 37 H SER 37 41.544 13.557 -34.788 263 HA SER 37 HA SER 37 42.924 15.387 -32.939 264 1HB SER 37 1HB SER 37 41.754 16.574 -34.708 265 2HB SER 37 2HB SER 37 40.266 15.694 -34.358 266 HG SER 37 HG SER 37 40.436 17.852 -33.424 267 H CYS 38 H CYS 38 42.088 15.719 -30.861 268 HA CYS 38 HA CYS 38 39.929 13.931 -30.006 269 1HB CYS 38 1HB CYS 38 42.388 14.216 -28.310 270 2HB CYS 38 2HB CYS 38 41.150 12.974 -28.249 271 H GLN 39 H GLN 39 39.439 14.413 -27.574 272 HA GLN 39 HA GLN 39 39.517 17.330 -27.170 273 1HB GLN 39 2HB GLN 39 37.269 17.347 -26.440 274 2HB GLN 39 1HB GLN 39 37.217 15.594 -26.299 275 1HG GLN 39 1HG GLN 39 37.293 17.216 -28.829 276 2HG GLN 39 2HG GLN 39 37.455 15.461 -28.775 277 2HE2 GLN 39 1HE2 GLN 39 35.393 17.178 -26.571 278 1HE2 GLN 39 2HE2 GLN 39 33.892 16.651 -27.244 279 H GLU 40 H GLU 40 40.651 17.814 -25.425 280 HA GLU 40 HA GLU 40 41.324 15.887 -23.440 281 1HB GLU 40 2HB GLU 40 42.630 18.004 -24.260 282 2HB GLU 40 1HB GLU 40 42.777 17.464 -22.594 283 1HG GLU 40 1HG GLU 40 41.086 19.125 -21.932 284 2HG GLU 40 2HG GLU 40 42.529 19.846 -22.643 285 H THR 41 H THR 41 40.125 15.268 -21.794 286 HA THR 41 HA THR 41 38.843 15.430 -19.891 287 HB THR 41 HB THR 41 38.219 18.284 -20.654 288 HG1 THR 41 HG1 THR 41 40.123 18.797 -19.881 289 1HG2 THR 41 1HG2 THR 41 37.034 16.681 -18.780 290 2HG2 THR 41 2HG2 THR 41 38.284 17.496 -17.839 291 3HG2 THR 41 3HG2 THR 41 37.088 18.442 -18.724 292 H ALA 42 H ALA 42 37.476 17.172 -22.682 293 HA ALA 42 HA ALA 42 35.539 16.834 -23.847 294 1HB ALA 42 3HB ALA 42 34.516 14.739 -23.856 295 2HB ALA 42 2HB ALA 42 34.925 14.426 -22.169 296 3HB ALA 42 1HB ALA 42 36.183 14.380 -23.405 297 H VAL 43 H VAL 43 33.140 15.543 -22.526 298 HA VAL 43 HA VAL 43 31.234 16.469 -21.629 299 HB VAL 43 HB VAL 43 31.893 17.203 -19.108 300 1HG1 VAL 43 1HG1 VAL 43 30.438 15.298 -20.052 301 2HG1 VAL 43 2HG1 VAL 43 31.874 14.297 -19.835 302 3HG1 VAL 43 3HG1 VAL 43 31.143 15.103 -18.448 303 1HG2 VAL 43 1HG2 VAL 43 34.303 16.959 -19.592 304 2HG2 VAL 43 2HG2 VAL 43 33.749 15.874 -18.318 305 3HG2 VAL 43 3HG2 VAL 43 34.036 15.251 -19.943 306 H THR 44 H THR 44 33.207 18.512 -19.591 307 HA THR 44 HA THR 44 33.549 20.777 -19.532 308 HB THR 44 HB THR 44 32.067 21.474 -21.976 309 HG1 THR 44 HG1 THR 44 33.672 20.548 -23.341 310 1HG2 THR 44 1HG2 THR 44 33.759 22.829 -20.516 311 2HG2 THR 44 2HG2 THR 44 34.973 21.968 -21.463 312 3HG2 THR 44 3HG2 THR 44 33.787 22.995 -22.271 313 H GLN 45 H GLN 45 32.370 22.598 -18.848 314 HA GLN 45 HA GLN 45 29.766 22.008 -17.854 315 1HB GLN 45 1HB GLN 45 31.045 24.735 -17.938 316 2HB GLN 45 2HB GLN 45 29.855 24.133 -16.792 317 1HG GLN 45 1HG GLN 45 32.526 22.818 -16.987 318 2HG GLN 45 2HG GLN 45 32.350 24.333 -16.104 319 2HE2 GLN 45 1HE2 GLN 45 32.240 21.034 -15.866 320 1HE2 GLN 45 2HE2 GLN 45 31.364 20.891 -14.384 321 H THR 46 H THR 46 27.883 23.473 -18.185 322 HA THR 46 HA THR 46 27.754 24.503 -20.940 323 HB THR 46 HB THR 46 25.370 23.687 -21.016 324 HG1 THR 46 HG1 THR 46 26.218 22.553 -18.584 325 1HG2 THR 46 1HG2 THR 46 27.791 22.297 -21.488 326 2HG2 THR 46 2HG2 THR 46 26.641 21.136 -20.827 327 3HG2 THR 46 3HG2 THR 46 26.228 22.059 -22.272 328 H TYR 47 H TYR 47 26.126 26.125 -21.307 329 HA TYR 47 HA TYR 47 24.800 27.308 -19.023 330 1HB TYR 47 1HB TYR 47 25.850 29.551 -19.429 331 2HB TYR 47 2HB TYR 47 26.950 28.350 -18.763 332 HD1 TYR 47 HD1 TYR 47 25.950 30.041 -21.909 333 HD2 TYR 47 HD2 TYR 47 28.935 27.776 -19.894 334 HE1 TYR 47 HE1 TYR 47 27.509 30.453 -23.767 335 HE2 TYR 47 HE2 TYR 47 30.502 28.180 -21.747 336 HH TYR 47 HH TYR 47 29.500 29.521 -24.742 337 H GLY 48 H GLY 48 23.040 28.515 -19.593 338 1HA GLY 48 1HA GLY 48 21.286 29.124 -20.955 339 2HA GLY 48 2HA GLY 48 22.542 29.917 -21.894 340 H GLY 49 H GLY 49 22.730 29.310 -23.944 341 1HA GLY 49 1HA GLY 49 22.657 28.014 -25.843 342 2HA GLY 49 2HA GLY 49 22.559 26.602 -24.801 343 H ASN 50 H ASN 50 20.807 25.429 -25.148 344 HA ASN 50 HA ASN 50 18.317 26.819 -25.886 345 1HB ASN 50 1HB ASN 50 19.653 25.108 -27.509 346 2HB ASN 50 2HB ASN 50 18.602 23.979 -26.659 347 2HD2 ASN 50 1HD2 ASN 50 16.276 24.978 -26.416 348 1HD2 ASN 50 2HD2 ASN 50 15.599 25.548 -27.900 349 H SER 51 H SER 51 19.867 24.884 -23.616 350 HA SER 51 HA SER 51 17.278 24.122 -22.438 351 1HB SER 51 1HB SER 51 18.251 22.076 -23.196 352 2HB SER 51 2HB SER 51 19.833 22.515 -22.551 353 HG SER 51 HG SER 51 17.577 21.543 -21.242 354 H ASN 52 H ASN 52 19.321 26.383 -22.087 355 HA ASN 52 HA ASN 52 20.075 27.682 -20.379 356 1HB ASN 52 1HB ASN 52 17.875 27.464 -19.418 357 2HB ASN 52 2HB ASN 52 18.260 25.868 -18.781 358 2HD2 ASN 52 1HD2 ASN 52 20.481 28.555 -18.723 359 1HD2 ASN 52 2HD2 ASN 52 20.463 28.789 -17.012 360 H GLY 53 H GLY 53 21.161 24.807 -21.010 361 1HA GLY 53 1HA GLY 53 23.256 23.933 -20.470 362 2HA GLY 53 2HA GLY 53 23.309 24.989 -19.067 363 H GLU 54 H GLU 54 22.468 21.869 -20.272 364 HA GLU 54 HA GLU 54 22.083 20.953 -17.522 365 1HB GLU 54 1HB GLU 54 20.021 20.038 -17.823 366 2HB GLU 54 2HB GLU 54 19.886 21.341 -18.995 367 1HG GLU 54 1HG GLU 54 20.328 19.865 -20.805 368 2HG GLU 54 2HG GLU 54 20.775 18.559 -19.710 369 HA PRO 55 HA PRO 55 24.527 17.418 -18.408 370 1HB PRO 55 2HB PRO 55 23.812 15.647 -17.141 371 2HB PRO 55 1HB PRO 55 22.226 15.606 -17.916 372 1HG PRO 55 1HG PRO 55 21.640 16.535 -15.870 373 2HG PRO 55 2HG PRO 55 23.206 17.347 -15.688 374 1HD PRO 55 1HD PRO 55 20.824 18.155 -17.300 375 2HD PRO 55 2HD PRO 55 21.961 19.163 -16.383 376 H CYS 56 H CYS 56 24.889 17.553 -20.610 377 HA CYS 56 HA CYS 56 23.221 17.193 -22.717 378 1HB CYS 56 1HB CYS 56 25.977 15.963 -22.649 379 2HB CYS 56 2HB CYS 56 25.114 16.597 -24.049 380 H VAL 57 H VAL 57 23.174 15.261 -24.266 381 HA VAL 57 HA VAL 57 22.804 12.767 -22.744 382 HB VAL 57 HB VAL 57 20.626 13.848 -23.279 383 1HG1 VAL 57 1HG1 VAL 57 21.726 14.538 -25.637 384 2HG1 VAL 57 2HG1 VAL 57 20.826 13.101 -26.123 385 3HG1 VAL 57 3HG1 VAL 57 19.986 14.450 -25.358 386 1HG2 VAL 57 1HG2 VAL 57 21.016 11.342 -23.087 387 2HG2 VAL 57 2HG2 VAL 57 19.549 11.854 -23.922 388 3HG2 VAL 57 3HG2 VAL 57 20.946 11.304 -24.848 389 H LEU 58 H LEU 58 25.098 12.631 -23.675 390 HA LEU 58 HA LEU 58 25.014 11.595 -26.428 391 1HB LEU 58 1HB LEU 58 27.667 11.771 -25.849 392 2HB LEU 58 2HB LEU 58 26.740 13.000 -26.686 393 HG LEU 58 HG LEU 58 28.150 13.957 -24.931 394 1HD1 LEU 58 1HD1 LEU 58 25.491 14.504 -25.414 395 2HD1 LEU 58 2HD1 LEU 58 25.592 14.439 -23.655 396 3HD1 LEU 58 3HD1 LEU 58 26.633 15.538 -24.558 397 1HD2 LEU 58 1HD2 LEU 58 26.964 11.802 -23.369 398 2HD2 LEU 58 2HD2 LEU 58 28.455 12.707 -23.106 399 3HD2 LEU 58 3HD2 LEU 58 26.915 13.364 -22.552 400 HA PRO 59 HA PRO 59 27.433 10.685 -27.339 401 1HB PRO 59 1HB PRO 59 27.242 8.455 -28.893 402 2HB PRO 59 2HB PRO 59 28.588 8.758 -27.795 403 1HG PRO 59 2HG PRO 59 27.853 6.706 -26.987 404 2HG PRO 59 1HG PRO 59 26.160 7.062 -27.381 405 1HD PRO 59 1HD PRO 59 26.115 7.516 -25.112 406 2HD PRO 59 2HD PRO 59 27.815 8.020 -25.079 407 H PHE 60 H PHE 60 26.154 11.946 -28.568 408 HA PHE 60 HA PHE 60 23.515 10.902 -29.346 409 1HB PHE 60 1HB PHE 60 22.995 13.279 -29.920 410 2HB PHE 60 2HB PHE 60 23.369 13.031 -28.219 411 HD1 PHE 60 HD1 PHE 60 24.928 14.057 -31.430 412 HD2 PHE 60 HD2 PHE 60 24.963 14.347 -27.188 413 HE1 PHE 60 HE1 PHE 60 26.665 15.793 -31.568 414 HE2 PHE 60 HE2 PHE 60 26.699 16.086 -27.315 415 HZ PHE 60 HZ PHE 60 27.553 16.803 -29.508 416 H THR 61 H THR 61 22.880 12.116 -31.588 417 HA THR 61 HA THR 61 25.106 11.577 -33.441 418 HB THR 61 HB THR 61 22.539 11.148 -34.695 419 HG1 THR 61 HG1 THR 61 21.624 10.246 -32.981 420 1HG2 THR 61 1HG2 THR 61 24.988 9.461 -34.202 421 2HG2 THR 61 2HG2 THR 61 23.604 8.899 -35.140 422 3HG2 THR 61 3HG2 THR 61 24.530 10.298 -35.685 423 H TYR 62 H TYR 62 25.510 13.079 -34.923 424 HA TYR 62 HA TYR 62 23.471 15.049 -35.611 425 1HB TYR 62 1HB TYR 62 24.774 15.936 -33.663 426 2HB TYR 62 2HB TYR 62 26.217 15.882 -34.672 427 HD1 TYR 62 HD1 TYR 62 22.995 17.545 -34.124 428 HD2 TYR 62 HD2 TYR 62 26.561 17.486 -36.420 429 HE1 TYR 62 HE1 TYR 62 22.470 19.792 -34.981 430 HE2 TYR 62 HE2 TYR 62 26.068 19.732 -37.281 431 HH TYR 62 HH TYR 62 23.996 21.149 -37.628 432 H ASN 63 H ASN 63 23.458 15.323 -37.740 433 HA ASN 63 HA ASN 63 24.115 15.458 -39.911 434 1HB ASN 63 1HB ASN 63 26.833 15.700 -38.622 435 2HB ASN 63 2HB ASN 63 26.602 15.753 -40.366 436 2HD2 ASN 63 1HD2 ASN 63 27.735 17.846 -39.051 437 1HD2 ASN 63 2HD2 ASN 63 26.661 19.196 -39.061 438 H GLY 64 H GLY 64 24.475 12.895 -38.007 439 1HA GLY 64 1HA GLY 64 24.236 10.711 -39.042 440 2HA GLY 64 2HA GLY 64 25.419 11.213 -40.239 441 H ARG 65 H ARG 65 26.747 12.442 -37.603 442 HA ARG 65 HA ARG 65 28.289 9.997 -37.085 443 1HB ARG 65 1HB ARG 65 30.106 11.419 -36.386 444 2HB ARG 65 2HB ARG 65 29.526 11.966 -37.953 445 1HG ARG 65 1HG ARG 65 28.083 13.391 -35.992 446 2HG ARG 65 2HG ARG 65 29.785 13.425 -35.527 447 1HD ARG 65 1HD ARG 65 29.383 13.865 -38.374 448 2HD ARG 65 2HD ARG 65 28.562 15.067 -37.379 449 HE ARG 65 HE ARG 65 31.273 14.612 -36.574 450 1HH1 ARG 65 1HH1 ARG 65 29.230 16.330 -38.806 451 2HH1 ARG 65 2HH1 ARG 65 30.357 17.621 -39.050 452 1HH2 ARG 65 1HH2 ARG 65 32.770 16.306 -36.886 453 2HH2 ARG 65 2HH2 ARG 65 32.372 17.608 -37.958 454 H THR 66 H THR 66 29.517 10.820 -34.695 455 HA THR 66 HA THR 66 27.317 11.212 -32.807 456 HB THR 66 HB THR 66 29.256 8.914 -32.519 457 HG1 THR 66 HG1 THR 66 26.493 8.855 -33.226 458 1HG2 THR 66 1HG2 THR 66 28.085 10.129 -30.499 459 2HG2 THR 66 2HG2 THR 66 26.693 9.179 -31.016 460 3HG2 THR 66 3HG2 THR 66 28.191 8.371 -30.553 461 H PHE 67 H PHE 67 27.939 11.968 -30.762 462 HA PHE 67 HA PHE 67 30.774 12.627 -30.396 463 1HB PHE 67 1HB PHE 67 28.574 14.632 -29.907 464 2HB PHE 67 2HB PHE 67 30.311 14.912 -29.878 465 HD1 PHE 67 HD1 PHE 67 27.571 13.843 -32.180 466 HD2 PHE 67 HD2 PHE 67 31.365 15.739 -31.749 467 HE1 PHE 67 HE1 PHE 67 27.519 14.493 -34.555 468 HE2 PHE 67 HE2 PHE 67 31.315 16.384 -34.121 469 HZ PHE 67 HZ PHE 67 29.394 15.756 -35.525 470 H TYR 68 H TYR 68 31.475 12.574 -28.293 471 HA TYR 68 HA TYR 68 29.646 11.396 -26.369 472 1HB TYR 68 1HB TYR 68 32.626 11.835 -26.395 473 2HB TYR 68 2HB TYR 68 31.779 11.258 -24.964 474 HD1 TYR 68 HD1 TYR 68 29.914 9.946 -27.484 475 HD2 TYR 68 HD2 TYR 68 33.778 9.511 -25.770 476 HE1 TYR 68 HE1 TYR 68 30.028 7.649 -28.353 477 HE2 TYR 68 HE2 TYR 68 33.915 7.217 -26.636 478 HH TYR 68 HH TYR 68 32.964 5.711 -28.030 479 H SER 69 H SER 69 30.340 14.494 -27.191 480 HA SER 69 HA SER 69 29.155 15.575 -24.871 481 1HB SER 69 1HB SER 69 31.753 16.825 -24.823 482 2HB SER 69 2HB SER 69 30.875 16.038 -23.513 483 HG SER 69 HG SER 69 32.027 14.293 -23.788 484 H CYS 70 H CYS 70 30.150 18.140 -24.862 485 HA CYS 70 HA CYS 70 28.780 19.439 -26.812 486 1HB CYS 70 2HB CYS 70 29.939 21.408 -26.221 487 2HB CYS 70 1HB CYS 70 31.406 20.530 -25.816 488 H THR 71 H THR 71 29.821 20.952 -28.509 489 HA THR 71 HA THR 71 32.157 20.356 -29.858 490 HB THR 71 HB THR 71 30.789 18.134 -30.154 491 HG1 THR 71 HG1 THR 71 32.056 19.443 -32.350 492 1HG2 THR 71 1HG2 THR 71 28.747 19.221 -31.015 493 2HG2 THR 71 2HG2 THR 71 29.668 19.819 -32.404 494 3HG2 THR 71 3HG2 THR 71 29.434 18.086 -32.180 495 H THR 72 H THR 72 32.394 21.543 -31.800 496 HA THR 72 HA THR 72 30.202 23.451 -32.274 497 HB THR 72 HB THR 72 32.202 24.846 -33.267 498 HG1 THR 72 HG1 THR 72 33.752 23.158 -32.889 499 1HG2 THR 72 1HG2 THR 72 30.712 25.078 -31.074 500 2HG2 THR 72 2HG2 THR 72 32.268 24.769 -30.302 501 3HG2 THR 72 3HG2 THR 72 32.081 26.139 -31.395 502 H GLU 73 H GLU 73 29.773 21.302 -33.660 503 HA GLU 73 HA GLU 73 31.081 21.535 -36.254 504 1HB GLU 73 1HB GLU 73 29.639 19.410 -36.662 505 2HB GLU 73 2HB GLU 73 31.070 19.315 -35.650 506 1HG GLU 73 1HG GLU 73 29.927 18.760 -33.867 507 2HG GLU 73 2HG GLU 73 28.637 19.921 -34.182 508 H GLY 74 H GLY 74 27.865 21.650 -34.793 509 1HA GLY 74 1HA GLY 74 26.884 22.854 -37.304 510 2HA GLY 74 2HA GLY 74 25.903 21.788 -36.316 511 H ARG 75 H ARG 75 27.643 24.871 -36.213 512 HA ARG 75 HA ARG 75 25.449 25.957 -34.590 513 1HB ARG 75 1HB ARG 75 27.138 27.288 -33.307 514 2HB ARG 75 2HB ARG 75 27.195 25.557 -33.002 515 1HG ARG 75 1HG ARG 75 29.063 25.453 -34.699 516 2HG ARG 75 2HG ARG 75 29.100 27.215 -34.626 517 1HD ARG 75 1HD ARG 75 29.118 26.474 -31.985 518 2HD ARG 75 2HD ARG 75 30.077 25.216 -32.759 519 HE ARG 75 HE ARG 75 30.963 27.779 -32.179 520 1HH1 ARG 75 1HH1 ARG 75 30.914 25.595 -34.897 521 2HH1 ARG 75 2HH1 ARG 75 32.354 26.244 -35.606 522 1HH2 ARG 75 1HH2 ARG 75 32.869 28.628 -33.104 523 2HH2 ARG 75 2HH2 ARG 75 33.463 27.964 -34.588 524 H GLN 76 H GLN 76 25.238 28.293 -34.704 525 HA GLN 76 HA GLN 76 26.405 29.416 -37.167 526 1HB GLN 76 1HB GLN 76 24.362 30.448 -37.722 527 2HB GLN 76 2HB GLN 76 23.927 28.815 -37.236 528 1HG GLN 76 1HG GLN 76 22.655 29.545 -35.571 529 2HG GLN 76 2HG GLN 76 23.895 30.660 -35.003 530 2HE2 GLN 76 1HE2 GLN 76 21.044 30.273 -36.899 531 1HE2 GLN 76 2HE2 GLN 76 20.799 31.944 -37.264 532 H ASP 77 H ASP 77 27.579 29.695 -34.621 533 HA ASP 77 HA ASP 77 27.569 32.586 -34.411 534 1HB ASP 77 1HB ASP 77 25.836 31.590 -32.772 535 2HB ASP 77 2HB ASP 77 27.235 31.018 -31.867 536 H GLY 78 H GLY 78 28.707 29.945 -32.330 537 1HA GLY 78 1HA GLY 78 31.192 29.419 -32.981 538 2HA GLY 78 2HA GLY 78 31.403 31.082 -32.468 539 H HIS 79 H HIS 79 29.118 28.945 -30.891 540 HA HIS 79 HA HIS 79 30.916 28.833 -28.561 541 1HB HIS 79 1HB HIS 79 27.907 28.881 -28.382 542 2HB HIS 79 2HB HIS 79 29.079 29.162 -27.098 543 HD1 HIS 79 HD1 HIS 79 30.752 31.181 -29.061 544 HD2 HIS 79 HD2 HIS 79 26.765 31.416 -27.914 545 HE1 HIS 79 HE1 HIS 79 30.115 33.598 -29.335 546 HE2 HIS 79 HE2 HIS 79 27.667 33.692 -28.747 547 H LEU 80 H LEU 80 31.267 26.874 -27.659 548 HA LEU 80 HA LEU 80 30.675 24.509 -28.973 549 1HB LEU 80 1HB LEU 80 31.610 25.214 -26.247 550 2HB LEU 80 2HB LEU 80 30.978 23.594 -26.465 551 HG LEU 80 HG LEU 80 32.616 23.295 -28.349 552 1HD1 LEU 80 1HD1 LEU 80 32.933 25.776 -28.665 553 2HD1 LEU 80 2HD1 LEU 80 33.944 25.743 -27.220 554 3HD1 LEU 80 3HD1 LEU 80 34.406 24.807 -28.640 555 1HD2 LEU 80 1HD2 LEU 80 33.298 23.603 -25.482 556 2HD2 LEU 80 2HD2 LEU 80 33.359 22.176 -26.516 557 3HD2 LEU 80 3HD2 LEU 80 34.632 23.393 -26.616 558 H TRP 81 H TRP 81 29.016 23.066 -28.935 559 HA TRP 81 HA TRP 81 26.820 23.547 -27.039 560 1HB TRP 81 1HB TRP 81 25.172 23.282 -28.810 561 2HB TRP 81 2HB TRP 81 26.262 24.608 -29.201 562 HD1 TRP 81 HD1 TRP 81 27.813 24.339 -31.328 563 HE1 TRP 81 HE1 TRP 81 27.832 22.661 -33.277 564 HE3 TRP 81 HE3 TRP 81 24.710 20.778 -29.368 565 HZ2 TRP 81 HZ2 TRP 81 26.683 20.157 -33.905 566 HZ3 TRP 81 HZ3 TRP 81 24.222 18.774 -30.706 567 HH2 TRP 81 HH2 TRP 81 25.188 18.470 -32.928 568 H CYS 82 H CYS 82 25.322 21.731 -26.855 569 HA CYS 82 HA CYS 82 26.282 19.145 -27.783 570 1HB CYS 82 2HB CYS 82 27.304 19.773 -25.472 571 2HB CYS 82 1HB CYS 82 26.606 18.173 -25.690 572 H SER 83 H SER 83 24.680 17.388 -26.827 573 HA SER 83 HA SER 83 21.988 18.458 -27.314 574 1HB SER 83 1HB SER 83 22.379 16.777 -28.895 575 2HB SER 83 2HB SER 83 23.225 15.751 -27.739 576 HG SER 83 HG SER 83 21.016 15.116 -28.299 577 H THR 84 H THR 84 20.290 18.047 -25.945 578 HA THR 84 HA THR 84 21.009 16.906 -23.325 579 HB THR 84 HB THR 84 19.292 18.350 -22.326 580 HG1 THR 84 HG1 THR 84 18.609 20.134 -23.881 581 1HG2 THR 84 1HG2 THR 84 21.596 19.169 -22.439 582 2HG2 THR 84 2HG2 THR 84 21.275 19.873 -24.024 583 3HG2 THR 84 3HG2 THR 84 20.448 20.499 -22.597 584 H THR 85 H THR 85 18.977 16.692 -26.048 585 HA THR 85 HA THR 85 17.221 14.780 -24.649 586 HB THR 85 HB THR 85 16.621 16.581 -26.998 587 HG1 THR 85 HG1 THR 85 14.722 16.737 -25.262 588 1HG2 THR 85 1HG2 THR 85 15.467 13.986 -26.275 589 2HG2 THR 85 2HG2 THR 85 14.278 15.278 -26.438 590 3HG2 THR 85 3HG2 THR 85 15.355 14.897 -27.781 591 H SER 86 H SER 86 17.468 12.720 -25.243 592 HA SER 86 HA SER 86 19.310 11.674 -26.910 593 1HB SER 86 1HB SER 86 16.617 10.363 -26.913 594 2HB SER 86 2HB SER 86 18.215 9.636 -26.738 595 HG SER 86 HG SER 86 17.760 9.667 -24.690 596 H ASN 87 H ASN 87 16.177 12.949 -27.848 597 HA ASN 87 HA ASN 87 16.799 12.386 -30.665 598 1HB ASN 87 1HB ASN 87 14.404 12.158 -29.153 599 2HB ASN 87 2HB ASN 87 14.161 13.442 -30.333 600 2HD2 ASN 87 1HD2 ASN 87 15.097 12.820 -32.570 601 1HD2 ASN 87 2HD2 ASN 87 14.642 11.253 -33.140 602 H TYR 88 H TYR 88 18.371 14.238 -30.373 603 HA TYR 88 HA TYR 88 17.325 16.884 -30.111 604 1HB TYR 88 1HB TYR 88 19.555 16.765 -29.474 605 2HB TYR 88 2HB TYR 88 19.986 15.703 -30.811 606 HD1 TYR 88 HD1 TYR 88 20.317 16.641 -33.076 607 HD2 TYR 88 HD2 TYR 88 19.637 19.144 -29.705 608 HE1 TYR 88 HE1 TYR 88 21.156 18.570 -34.348 609 HE2 TYR 88 HE2 TYR 88 20.471 21.082 -30.970 610 HH TYR 88 HH TYR 88 22.071 21.422 -32.972 611 H GLU 89 H GLU 89 17.480 14.632 -32.645 612 HA GLU 89 HA GLU 89 17.640 16.477 -34.822 613 1HB GLU 89 1HB GLU 89 16.742 13.595 -34.691 614 2HB GLU 89 2HB GLU 89 16.894 14.508 -36.185 615 1HG GLU 89 1HG GLU 89 19.231 14.677 -35.965 616 2HG GLU 89 2HG GLU 89 19.187 14.146 -34.283 617 H GLN 90 H GLN 90 15.190 15.601 -32.661 618 HA GLN 90 HA GLN 90 13.157 16.763 -34.447 619 1HB GLN 90 2HB GLN 90 12.979 14.245 -33.855 620 2HB GLN 90 1HB GLN 90 11.540 15.250 -33.751 621 1HG GLN 90 2HG GLN 90 12.918 15.290 -31.248 622 2HG GLN 90 1HG GLN 90 12.661 13.623 -31.762 623 2HE2 GLN 90 1HE2 GLN 90 11.436 15.482 -29.678 624 1HE2 GLN 90 2HE2 GLN 90 9.735 15.274 -29.898 625 H ASP 91 H ASP 91 14.554 16.641 -31.264 626 HA ASP 91 HA ASP 91 12.567 18.474 -30.181 627 1HB ASP 91 1HB ASP 91 14.493 16.601 -29.083 628 2HB ASP 91 2HB ASP 91 14.616 18.175 -28.303 629 H GLN 92 H GLN 92 16.082 18.390 -30.732 630 HA GLN 92 HA GLN 92 17.508 20.071 -31.357 631 1HB GLN 92 1HB GLN 92 15.005 21.140 -32.031 632 2HB GLN 92 2HB GLN 92 15.799 22.386 -31.077 633 1HG GLN 92 1HG GLN 92 16.407 22.871 -33.263 634 2HG GLN 92 2HG GLN 92 17.810 22.026 -32.608 635 2HE2 GLN 92 1HE2 GLN 92 14.870 21.550 -34.501 636 1HE2 GLN 92 2HE2 GLN 92 15.490 20.266 -35.477 637 H LYS 93 H LYS 93 16.383 19.404 -28.534 638 HA LYS 93 HA LYS 93 16.906 21.762 -26.995 639 1HB LYS 93 1HB LYS 93 16.414 18.877 -26.335 640 2HB LYS 93 2HB LYS 93 16.964 19.989 -25.091 641 1HG LYS 93 1HG LYS 93 14.460 19.595 -25.296 642 2HG LYS 93 2HG LYS 93 15.014 21.267 -25.202 643 1HD LYS 93 1HD LYS 93 14.523 21.696 -27.409 644 2HD LYS 93 2HD LYS 93 14.680 20.003 -27.882 645 1HE LYS 93 1HE LYS 93 12.567 19.452 -27.051 646 2HE LYS 93 2HE LYS 93 12.477 20.909 -26.063 647 1HZ LYS 93 1HZ LYS 93 12.540 21.013 -29.020 648 2HZ LYS 93 2HZ LYS 93 11.093 20.869 -28.157 649 3HZ LYS 93 3HZ LYS 93 12.076 22.229 -27.940 650 H TYR 94 H TYR 94 18.988 22.402 -27.673 651 HA TYR 94 HA TYR 94 21.180 20.644 -26.795 652 1HB TYR 94 1HB TYR 94 22.584 21.639 -28.412 653 2HB TYR 94 2HB TYR 94 21.051 21.384 -29.236 654 HD1 TYR 94 HD1 TYR 94 23.098 23.964 -27.519 655 HD2 TYR 94 HD2 TYR 94 19.911 23.184 -30.228 656 HE1 TYR 94 HE1 TYR 94 23.037 26.348 -28.126 657 HE2 TYR 94 HE2 TYR 94 19.843 25.563 -30.843 658 HH TYR 94 HH TYR 94 22.290 27.738 -30.051 659 H SER 95 H SER 95 23.133 21.809 -25.998 660 HA SER 95 HA SER 95 22.505 24.312 -24.608 661 1HB SER 95 2HB SER 95 23.040 23.526 -22.498 662 2HB SER 95 1HB SER 95 24.038 22.214 -23.124 663 HG SER 95 HG SER 95 21.624 21.989 -22.266 664 H PHE 96 H PHE 96 24.364 25.548 -23.999 665 HA PHE 96 HA PHE 96 26.556 25.183 -25.846 666 1HB PHE 96 1HB PHE 96 25.708 27.368 -23.982 667 2HB PHE 96 2HB PHE 96 27.337 27.368 -24.646 668 HD1 PHE 96 HD1 PHE 96 26.698 26.252 -27.368 669 HD2 PHE 96 HD2 PHE 96 24.805 29.258 -25.025 670 HE1 PHE 96 HE1 PHE 96 25.857 27.316 -29.419 671 HE2 PHE 96 HE2 PHE 96 23.960 30.328 -27.072 672 HZ PHE 96 HZ PHE 96 24.487 29.356 -29.273 673 H CYS 97 H CYS 97 28.791 25.924 -24.822 674 HA CYS 97 HA CYS 97 29.288 24.794 -22.210 675 1HB CYS 97 1HB CYS 97 30.621 23.564 -24.631 676 2HB CYS 97 2HB CYS 97 30.884 23.119 -22.949 677 H THR 98 H THR 98 31.093 25.628 -21.267 678 HA THR 98 HA THR 98 32.244 27.952 -22.407 679 HB THR 98 HB THR 98 33.909 27.563 -20.392 680 HG1 THR 98 HG1 THR 98 32.453 26.384 -18.767 681 1HG2 THR 98 1HG2 THR 98 32.149 29.310 -20.581 682 2HG2 THR 98 2HG2 THR 98 30.995 28.165 -19.898 683 3HG2 THR 98 3HG2 THR 98 32.372 28.709 -18.938 684 H ASP 99 H ASP 99 34.365 25.600 -20.939 685 HA ASP 99 HA ASP 99 36.055 24.297 -21.828 686 1HB ASP 99 1HB ASP 99 34.641 24.385 -24.010 687 2HB ASP 99 2HB ASP 99 35.779 25.636 -24.503 688 H HIS 100 H HIS 100 35.860 27.635 -23.032 689 HA HIS 100 HA HIS 100 38.629 28.023 -22.114 690 1HB HIS 100 1HB HIS 100 37.297 29.114 -24.591 691 2HB HIS 100 2HB HIS 100 38.816 29.744 -23.958 692 HD1 HIS 100 HD1 HIS 100 40.207 27.084 -23.261 693 HD2 HIS 100 HD2 HIS 100 38.170 27.794 -26.812 694 HE1 HIS 100 HE1 HIS 100 41.161 25.454 -24.920 695 HE2 HIS 100 HE2 HIS 100 39.850 25.840 -27.037 696 H THR 101 H THR 101 35.745 29.872 -23.073 697 HA THR 101 HA THR 101 35.894 31.358 -20.564 698 HB THR 101 HB THR 101 35.491 33.516 -21.865 699 HG1 THR 101 HG1 THR 101 36.763 32.088 -23.970 700 1HG2 THR 101 1HG2 THR 101 37.716 32.545 -20.801 701 2HG2 THR 101 2HG2 THR 101 38.230 32.531 -22.487 702 3HG2 THR 101 3HG2 THR 101 37.716 34.041 -21.734 No H/Q in entry = 702 Start of MODEL 46 1 H1 TYR 1 H1 TYR 1 52.026 5.708 -42.506 2 H2 TYR 1 H2 TYR 1 53.346 6.769 -42.499 3 H3 TYR 1 H3 TYR 1 53.518 5.199 -41.889 4 HA TYR 1 HA TYR 1 52.570 5.669 -39.926 5 1HB TYR 1 2HB TYR 1 53.451 7.673 -39.134 6 2HB TYR 1 1HB TYR 1 53.055 8.548 -40.610 7 HD1 TYR 1 HD1 TYR 1 55.404 6.115 -39.120 8 HD2 TYR 1 HD2 TYR 1 54.598 8.691 -42.408 9 HE1 TYR 1 HE1 TYR 1 57.708 5.805 -39.921 10 HE2 TYR 1 HE2 TYR 1 56.899 8.386 -43.219 11 HH TYR 1 HH TYR 1 59.309 7.538 -41.638 12 H GLY 2 H GLY 2 50.379 5.204 -41.261 13 1HA GLY 2 1HA GLY 2 48.626 7.551 -40.941 14 2HA GLY 2 2HA GLY 2 48.280 6.167 -41.966 15 H HIS 3 H HIS 3 48.189 4.023 -40.685 16 HA HIS 3 HA HIS 3 45.997 3.887 -39.127 17 1HB HIS 3 1HB HIS 3 48.436 2.212 -39.343 18 2HB HIS 3 2HB HIS 3 47.396 1.909 -37.959 19 HD1 HIS 3 HD1 HIS 3 47.905 0.735 -41.235 20 HD2 HIS 3 HD2 HIS 3 44.519 1.640 -39.002 21 HE1 HIS 3 HE1 HIS 3 46.017 -0.498 -42.346 22 HE2 HIS 3 HE2 HIS 3 43.965 0.127 -41.027 23 H CYS 4 H CYS 4 45.387 4.406 -37.107 24 HA CYS 4 HA CYS 4 47.457 5.518 -35.331 25 1HB CYS 4 1HB CYS 4 45.021 6.188 -34.199 26 2HB CYS 4 2HB CYS 4 46.021 7.233 -35.196 27 H VAL 5 H VAL 5 47.983 4.525 -33.500 28 HA VAL 5 HA VAL 5 46.205 2.382 -32.526 29 HB VAL 5 HB VAL 5 49.218 2.494 -32.328 30 1HG1 VAL 5 1HG1 VAL 5 47.238 0.394 -31.453 31 2HG1 VAL 5 2HG1 VAL 5 48.989 0.178 -31.485 32 3HG1 VAL 5 3HG1 VAL 5 48.268 1.378 -30.413 33 1HG2 VAL 5 1HG2 VAL 5 47.352 1.007 -34.148 34 2HG2 VAL 5 2HG2 VAL 5 48.764 1.979 -34.563 35 3HG2 VAL 5 3HG2 VAL 5 48.972 0.405 -33.798 36 H THR 6 H THR 6 45.133 3.824 -31.116 37 HA THR 6 HA THR 6 45.998 5.668 -29.385 38 HB THR 6 HB THR 6 43.808 5.410 -28.935 39 HG1 THR 6 HG1 THR 6 44.397 3.319 -27.144 40 1HG2 THR 6 1HG2 THR 6 44.230 2.472 -29.440 41 2HG2 THR 6 2HG2 THR 6 42.689 3.128 -28.884 42 3HG2 THR 6 3HG2 THR 6 43.357 3.637 -30.434 43 H ASP 7 H ASP 7 45.716 2.307 -28.217 44 HA ASP 7 HA ASP 7 48.055 2.823 -26.502 45 1HB ASP 7 1HB ASP 7 45.485 1.420 -26.026 46 2HB ASP 7 2HB ASP 7 46.920 0.688 -25.315 47 H SER 8 H SER 8 46.643 -0.337 -26.955 48 HA SER 8 HA SER 8 48.595 -1.162 -28.912 49 1HB SER 8 1HB SER 8 49.531 -1.210 -26.383 50 2HB SER 8 2HB SER 8 48.756 -2.792 -26.438 51 HG SER 8 HG SER 8 49.993 -3.205 -28.350 52 H GLY 9 H GLY 9 45.618 -1.144 -28.285 53 1HA GLY 9 1HA GLY 9 45.175 -4.005 -28.865 54 2HA GLY 9 2HA GLY 9 44.111 -3.107 -27.794 55 H VAL 10 H VAL 10 44.023 -0.702 -29.306 56 HA VAL 10 HA VAL 10 42.256 -1.594 -31.465 57 HB VAL 10 HB VAL 10 42.540 1.166 -30.266 58 1HG1 VAL 10 1HG1 VAL 10 41.692 1.099 -32.591 59 2HG1 VAL 10 2HG1 VAL 10 40.384 0.045 -32.053 60 3HG1 VAL 10 3HG1 VAL 10 40.499 1.694 -31.437 61 1HG2 VAL 10 1HG2 VAL 10 41.127 -1.204 -29.361 62 2HG2 VAL 10 2HG2 VAL 10 41.429 0.319 -28.526 63 3HG2 VAL 10 3HG2 VAL 10 40.046 0.167 -29.608 64 H VAL 11 H VAL 11 42.364 -0.670 -33.558 65 HA VAL 11 HA VAL 11 44.874 0.720 -34.197 66 HB VAL 11 HB VAL 11 43.737 -1.678 -35.629 67 1HG1 VAL 11 1HG1 VAL 11 45.746 0.358 -36.542 68 2HG1 VAL 11 2HG1 VAL 11 45.743 -1.291 -37.169 69 3HG1 VAL 11 3HG1 VAL 11 44.331 -0.258 -37.395 70 1HG2 VAL 11 1HG2 VAL 11 45.197 -2.084 -33.667 71 2HG2 VAL 11 2HG2 VAL 11 45.878 -2.686 -35.178 72 3HG2 VAL 11 3HG2 VAL 11 46.479 -1.184 -34.475 73 H TYR 12 H TYR 12 43.668 2.652 -34.340 74 HA TYR 12 HA TYR 12 41.447 2.899 -36.136 75 1HB TYR 12 1HB TYR 12 43.139 4.915 -34.657 76 2HB TYR 12 2HB TYR 12 41.814 5.382 -35.717 77 HD1 TYR 12 HD1 TYR 12 39.490 4.448 -35.173 78 HD2 TYR 12 HD2 TYR 12 42.738 4.375 -32.428 79 HE1 TYR 12 HE1 TYR 12 37.903 4.160 -33.315 80 HE2 TYR 12 HE2 TYR 12 41.161 4.086 -30.560 81 HH TYR 12 HH TYR 12 37.948 3.225 -30.983 82 H SER 13 H SER 13 41.778 5.068 -37.636 83 HA SER 13 HA SER 13 44.199 4.617 -39.236 84 1HB SER 13 1HB SER 13 41.350 4.541 -40.119 85 2HB SER 13 2HB SER 13 42.563 5.178 -41.227 86 HG SER 13 HG SER 13 41.986 2.692 -40.903 87 H VAL 14 H VAL 14 45.219 6.382 -39.915 88 HA VAL 14 HA VAL 14 45.198 8.788 -38.850 89 HB VAL 14 HB VAL 14 46.783 8.252 -40.582 90 1HG1 VAL 14 1HG1 VAL 14 44.621 7.417 -42.043 91 2HG1 VAL 14 2HG1 VAL 14 45.095 8.898 -42.874 92 3HG1 VAL 14 3HG1 VAL 14 46.264 7.596 -42.657 93 1HG2 VAL 14 1HG2 VAL 14 45.298 10.758 -40.569 94 2HG2 VAL 14 2HG2 VAL 14 47.038 10.473 -40.556 95 3HG2 VAL 14 3HG2 VAL 14 46.153 10.467 -42.082 96 H GLY 15 H GLY 15 43.122 9.437 -38.170 97 1HA GLY 15 1HA GLY 15 41.811 11.463 -38.898 98 2HA GLY 15 2HA GLY 15 41.409 10.517 -40.317 99 H MET 16 H MET 16 41.344 8.161 -38.219 100 HA MET 16 HA MET 16 38.488 8.366 -37.827 101 1HB MET 16 2HB MET 16 38.638 6.061 -37.025 102 2HB MET 16 1HB MET 16 40.394 6.160 -37.028 103 1HG MET 16 1HG MET 16 38.928 6.707 -39.556 104 2HG MET 16 2HG MET 16 40.538 6.035 -39.308 105 1HE MET 16 1HE MET 16 40.176 3.824 -37.252 106 2HE MET 16 2HE MET 16 38.514 4.203 -36.802 107 3HE MET 16 3HE MET 16 38.899 2.637 -37.516 108 H GLN 17 H GLN 17 37.709 9.445 -36.149 109 HA GLN 17 HA GLN 17 39.276 9.732 -33.721 110 1HB GLN 17 1HB GLN 17 36.511 10.823 -33.963 111 2HB GLN 17 2HB GLN 17 37.921 11.514 -33.175 112 1HG GLN 17 1HG GLN 17 38.852 12.182 -35.265 113 2HG GLN 17 2HG GLN 17 37.618 11.294 -36.157 114 2HE2 GLN 17 1HE2 GLN 17 36.800 13.055 -33.292 115 1HE2 GLN 17 2HE2 GLN 17 35.949 14.340 -34.071 116 H TRP 18 H TRP 18 38.368 9.303 -31.610 117 HA TRP 18 HA TRP 18 36.088 7.522 -31.465 118 1HB TRP 18 1HB TRP 18 37.299 5.715 -30.350 119 2HB TRP 18 2HB TRP 18 37.938 5.984 -31.967 120 HD1 TRP 18 HD1 TRP 18 38.953 5.904 -28.358 121 HE1 TRP 18 HE1 TRP 18 41.464 6.419 -28.155 122 HE3 TRP 18 HE3 TRP 18 39.845 7.484 -33.137 123 HZ2 TRP 18 HZ2 TRP 18 43.553 7.377 -29.806 124 HZ3 TRP 18 HZ3 TRP 18 42.124 8.181 -33.745 125 HH2 TRP 18 HH2 TRP 18 43.938 8.126 -32.114 126 H LEU 19 H LEU 19 36.486 6.548 -28.891 127 HA LEU 19 HA LEU 19 37.156 8.727 -27.127 128 1HB LEU 19 1HB LEU 19 34.961 9.422 -27.868 129 2HB LEU 19 2HB LEU 19 34.288 7.856 -27.469 130 HG LEU 19 HG LEU 19 35.435 8.790 -25.091 131 1HD1 LEU 19 1HD1 LEU 19 35.529 11.012 -26.219 132 2HD1 LEU 19 2HD1 LEU 19 33.769 10.961 -26.351 133 3HD1 LEU 19 3HD1 LEU 19 34.536 10.976 -24.761 134 1HD2 LEU 19 1HD2 LEU 19 33.003 7.789 -26.042 135 2HD2 LEU 19 2HD2 LEU 19 33.468 8.057 -24.361 136 3HD2 LEU 19 3HD2 LEU 19 32.611 9.315 -25.250 137 H LYS 20 H LYS 20 37.162 8.133 -24.925 138 HA LYS 20 HA LYS 20 36.487 5.389 -24.232 139 1HB LYS 20 1HB LYS 20 38.640 4.729 -23.528 140 2HB LYS 20 2HB LYS 20 38.867 5.427 -25.125 141 1HG LYS 20 1HG LYS 20 39.970 7.268 -24.315 142 2HG LYS 20 2HG LYS 20 39.209 7.160 -22.726 143 1HD LYS 20 1HD LYS 20 40.554 4.848 -22.714 144 2HD LYS 20 2HD LYS 20 41.600 5.774 -23.792 145 1HE LYS 20 1HE LYS 20 42.015 7.411 -22.149 146 2HE LYS 20 2HE LYS 20 40.685 6.847 -21.138 147 1HZ LYS 20 1HZ LYS 20 42.448 4.713 -21.513 148 2HZ LYS 20 2HZ LYS 20 43.373 6.058 -21.073 149 3HZ LYS 20 3HZ LYS 20 42.104 5.543 -20.080 150 H THR 21 H THR 21 36.858 4.987 -21.856 151 HA THR 21 HA THR 21 36.368 7.475 -20.351 152 HB THR 21 HB THR 21 35.446 4.857 -19.267 153 HG1 THR 21 HG1 THR 21 34.422 4.599 -21.147 154 1HG2 THR 21 1HG2 THR 21 35.205 7.536 -18.551 155 2HG2 THR 21 2HG2 THR 21 33.619 7.100 -19.187 156 3HG2 THR 21 3HG2 THR 21 34.321 6.176 -17.859 157 H GLN 22 H GLN 22 37.247 7.669 -18.268 158 HA GLN 22 HA GLN 22 39.486 5.830 -17.727 159 1HB GLN 22 1HB GLN 22 39.256 8.713 -16.855 160 2HB GLN 22 2HB GLN 22 40.663 7.670 -16.704 161 1HG GLN 22 1HG GLN 22 39.691 7.945 -19.442 162 2HG GLN 22 2HG GLN 22 40.217 9.461 -18.712 163 2HE2 GLN 22 1HE2 GLN 22 42.180 9.883 -19.423 164 1HE2 GLN 22 2HE2 GLN 22 43.497 8.767 -19.495 165 H GLY 23 H GLY 23 36.988 5.112 -16.830 166 1HA GLY 23 1HA GLY 23 36.655 4.065 -14.655 167 2HA GLY 23 2HA GLY 23 37.267 5.541 -13.922 168 H ASN 24 H ASN 24 35.952 7.460 -14.050 169 HA ASN 24 HA ASN 24 33.098 6.906 -14.513 170 1HB ASN 24 1HB ASN 24 34.443 7.796 -12.062 171 2HB ASN 24 2HB ASN 24 33.071 8.800 -12.522 172 2HD2 ASN 24 1HD2 ASN 24 34.095 5.844 -11.187 173 1HD2 ASN 24 2HD2 ASN 24 32.535 5.148 -10.934 174 H LYS 25 H LYS 25 35.648 8.614 -15.553 175 HA LYS 25 HA LYS 25 34.169 11.109 -15.998 176 1HB LYS 25 1HB LYS 25 37.066 10.577 -16.652 177 2HB LYS 25 2HB LYS 25 36.262 12.135 -16.506 178 1HG LYS 25 1HG LYS 25 37.371 12.045 -14.514 179 2HG LYS 25 2HG LYS 25 35.826 11.327 -14.050 180 1HD LYS 25 1HD LYS 25 36.703 9.206 -13.903 181 2HD LYS 25 2HD LYS 25 38.001 9.550 -15.049 182 1HE LYS 25 1HE LYS 25 39.097 10.958 -13.364 183 2HE LYS 25 2HE LYS 25 37.808 10.582 -12.221 184 1HZ LYS 25 1HZ LYS 25 38.662 8.140 -13.046 185 2HZ LYS 25 2HZ LYS 25 40.100 9.026 -12.962 186 3HZ LYS 25 3HZ LYS 25 39.104 8.899 -11.601 187 H GLN 26 H GLN 26 35.924 11.709 -18.327 188 HA GLN 26 HA GLN 26 35.117 9.759 -20.321 189 1HB GLN 26 1HB GLN 26 33.477 11.966 -19.798 190 2HB GLN 26 2HB GLN 26 34.366 12.396 -21.253 191 1HG GLN 26 1HG GLN 26 33.276 10.905 -22.517 192 2HG GLN 26 2HG GLN 26 33.278 9.677 -21.251 193 2HE2 GLN 26 1HE2 GLN 26 31.076 9.390 -22.192 194 1HE2 GLN 26 2HE2 GLN 26 29.791 10.320 -21.507 195 H MET 27 H MET 27 36.632 9.581 -21.854 196 HA MET 27 HA MET 27 38.470 11.845 -22.257 197 1HB MET 27 1HB MET 27 39.258 9.660 -20.941 198 2HB MET 27 2HB MET 27 39.515 9.078 -22.580 199 1HG MET 27 1HG MET 27 40.616 11.658 -22.476 200 2HG MET 27 2HG MET 27 41.129 10.833 -21.005 201 1HE MET 27 1HE MET 27 43.375 10.483 -21.123 202 2HE MET 27 2HE MET 27 44.331 9.722 -22.395 203 3HE MET 27 3HE MET 27 43.760 11.379 -22.593 204 H LEU 28 H LEU 28 38.331 12.562 -24.254 205 HA LEU 28 HA LEU 28 37.464 10.757 -26.401 206 1HB LEU 28 1HB LEU 28 36.337 13.001 -25.921 207 2HB LEU 28 2HB LEU 28 37.788 13.747 -26.563 208 HG LEU 28 HG LEU 28 36.797 11.759 -28.397 209 1HD1 LEU 28 1HD1 LEU 28 34.854 13.829 -27.416 210 2HD1 LEU 28 2HD1 LEU 28 34.746 13.113 -29.024 211 3HD1 LEU 28 3HD1 LEU 28 34.612 12.092 -27.592 212 1HD2 LEU 28 1HD2 LEU 28 38.341 13.589 -28.938 213 2HD2 LEU 28 2HD2 LEU 28 36.897 13.628 -29.949 214 3HD2 LEU 28 3HD2 LEU 28 37.062 14.757 -28.606 215 H CYS 29 H CYS 29 38.774 10.250 -28.109 216 HA CYS 29 HA CYS 29 41.341 11.654 -28.318 217 1HB CYS 29 1HB CYS 29 41.532 9.467 -27.030 218 2HB CYS 29 2HB CYS 29 41.166 8.662 -28.550 219 H THR 30 H THR 30 42.322 11.654 -30.329 220 HA THR 30 HA THR 30 40.910 10.445 -32.581 221 HB THR 30 HB THR 30 41.445 13.420 -32.409 222 HG1 THR 30 HG1 THR 30 39.283 13.612 -32.287 223 1HG2 THR 30 1HG2 THR 30 40.657 11.651 -34.715 224 2HG2 THR 30 2HG2 THR 30 40.286 13.375 -34.692 225 3HG2 THR 30 3HG2 THR 30 41.963 12.833 -34.632 226 H CYS 31 H CYS 31 42.167 10.460 -34.553 227 HA CYS 31 HA CYS 31 45.034 10.909 -34.068 228 1HB CYS 31 1HB CYS 31 45.481 8.984 -35.573 229 2HB CYS 31 2HB CYS 31 44.653 8.534 -34.087 230 H LEU 32 H LEU 32 45.524 12.640 -35.128 231 HA LEU 32 HA LEU 32 44.224 13.452 -37.556 232 1HB LEU 32 1HB LEU 32 46.306 15.148 -37.389 233 2HB LEU 32 2HB LEU 32 44.814 15.360 -36.492 234 HG LEU 32 HG LEU 32 46.920 13.746 -35.182 235 1HD1 LEU 32 1HD1 LEU 32 47.839 15.973 -36.343 236 2HD1 LEU 32 2HD1 LEU 32 47.243 16.643 -34.825 237 3HD1 LEU 32 3HD1 LEU 32 48.439 15.344 -34.806 238 1HD2 LEU 32 1HD2 LEU 32 45.003 15.881 -34.262 239 2HD2 LEU 32 2HD2 LEU 32 44.810 14.138 -34.068 240 3HD2 LEU 32 3HD2 LEU 32 46.100 14.985 -33.212 241 H GLY 33 H GLY 33 47.706 13.644 -37.169 242 1HA GLY 33 1HA GLY 33 48.248 11.590 -39.117 243 2HA GLY 33 2HA GLY 33 48.445 13.218 -39.748 244 H ASN 34 H ASN 34 49.403 14.375 -37.306 245 HA ASN 34 HA ASN 34 52.136 13.359 -37.411 246 1HB ASN 34 1HB ASN 34 52.778 15.471 -36.391 247 2HB ASN 34 2HB ASN 34 51.739 15.776 -37.778 248 2HD2 ASN 34 1HD2 ASN 34 52.017 15.875 -34.327 249 1HD2 ASN 34 2HD2 ASN 34 50.603 16.822 -34.034 250 H GLY 35 H GLY 35 49.408 13.003 -35.507 251 1HA GLY 35 1HA GLY 35 50.518 11.345 -33.631 252 2HA GLY 35 2HA GLY 35 50.651 12.941 -32.921 253 H VAL 36 H VAL 36 49.101 10.577 -32.169 254 HA VAL 36 HA VAL 36 46.332 11.269 -32.589 255 HB VAL 36 HB VAL 36 47.717 9.091 -31.048 256 1HG1 VAL 36 1HG1 VAL 36 44.953 10.091 -30.680 257 2HG1 VAL 36 2HG1 VAL 36 45.178 8.344 -30.753 258 3HG1 VAL 36 3HG1 VAL 36 46.033 9.293 -29.537 259 1HG2 VAL 36 1HG2 VAL 36 46.353 9.380 -33.596 260 2HG2 VAL 36 2HG2 VAL 36 47.485 8.144 -33.052 261 3HG2 VAL 36 3HG2 VAL 36 45.771 8.006 -32.654 262 H SER 37 H SER 37 45.366 12.826 -31.497 263 HA SER 37 HA SER 37 46.319 13.474 -28.794 264 1HB SER 37 1HB SER 37 46.407 15.309 -30.468 265 2HB SER 37 2HB SER 37 44.660 15.177 -30.669 266 HG SER 37 HG SER 37 45.783 16.724 -29.013 267 H CYS 38 H CYS 38 44.760 13.961 -27.152 268 HA CYS 38 HA CYS 38 41.993 13.243 -27.608 269 1HB CYS 38 2HB CYS 38 41.946 11.232 -26.595 270 2HB CYS 38 1HB CYS 38 43.023 11.755 -25.318 271 H GLN 39 H GLN 39 40.599 13.955 -25.971 272 HA GLN 39 HA GLN 39 41.822 15.899 -24.147 273 1HB GLN 39 1HB GLN 39 39.294 15.756 -25.632 274 2HB GLN 39 2HB GLN 39 39.112 16.299 -23.970 275 1HG GLN 39 1HG GLN 39 40.627 18.114 -24.328 276 2HG GLN 39 2HG GLN 39 41.038 17.514 -25.935 277 2HE2 GLN 39 1HE2 GLN 39 38.956 17.144 -27.308 278 1HE2 GLN 39 2HE2 GLN 39 37.862 18.481 -27.331 279 H GLU 40 H GLU 40 42.238 15.111 -22.192 280 HA GLU 40 HA GLU 40 40.835 12.881 -21.078 281 1HB GLU 40 1HB GLU 40 42.207 13.502 -19.009 282 2HB GLU 40 2HB GLU 40 43.093 13.027 -20.451 283 1HG GLU 40 1HG GLU 40 44.125 14.987 -20.579 284 2HG GLU 40 2HG GLU 40 42.622 15.882 -20.361 285 H THR 41 H THR 41 39.131 12.847 -19.760 286 HA THR 41 HA THR 41 37.644 13.544 -18.142 287 HB THR 41 HB THR 41 39.558 15.456 -17.779 288 HG1 THR 41 HG1 THR 41 38.513 14.811 -16.007 289 1HG2 THR 41 1HG2 THR 41 38.513 17.006 -19.384 290 2HG2 THR 41 2HG2 THR 41 37.016 16.945 -18.458 291 3HG2 THR 41 3HG2 THR 41 38.468 17.642 -17.741 292 H ALA 42 H ALA 42 38.154 15.725 -20.893 293 HA ALA 42 HA ALA 42 36.703 16.703 -22.356 294 1HB ALA 42 1HB ALA 42 35.298 14.102 -21.799 295 2HB ALA 42 3HB ALA 42 36.346 14.508 -23.158 296 3HB ALA 42 2HB ALA 42 34.752 15.249 -23.023 297 H VAL 43 H VAL 43 33.994 15.150 -20.798 298 HA VAL 43 HA VAL 43 32.071 16.066 -19.955 299 HB VAL 43 HB VAL 43 32.337 17.185 -17.868 300 1HG1 VAL 43 1HG1 VAL 43 33.415 14.787 -18.359 301 2HG1 VAL 43 2HG1 VAL 43 34.856 15.635 -17.798 302 3HG1 VAL 43 3HG1 VAL 43 33.431 15.535 -16.763 303 1HG2 VAL 43 1HG2 VAL 43 33.917 18.918 -18.741 304 2HG2 VAL 43 2HG2 VAL 43 34.334 18.285 -17.149 305 3HG2 VAL 43 3HG2 VAL 43 35.215 17.736 -18.574 306 H THR 44 H THR 44 31.247 18.423 -19.025 307 HA THR 44 HA THR 44 32.083 20.737 -20.362 308 HB THR 44 HB THR 44 29.611 20.381 -21.718 309 HG1 THR 44 HG1 THR 44 29.958 18.145 -21.658 310 1HG2 THR 44 1HG2 THR 44 32.263 21.291 -22.212 311 2HG2 THR 44 2HG2 THR 44 31.797 20.201 -23.518 312 3HG2 THR 44 3HG2 THR 44 30.800 21.607 -23.145 313 H GLN 45 H GLN 45 30.240 22.428 -20.415 314 HA GLN 45 HA GLN 45 28.995 22.358 -17.811 315 1HB GLN 45 2HB GLN 45 28.544 24.660 -18.117 316 2HB GLN 45 1HB GLN 45 28.674 24.536 -19.866 317 1HG GLN 45 2HG GLN 45 30.598 25.574 -18.411 318 2HG GLN 45 1HG GLN 45 30.946 24.612 -19.845 319 2HE2 GLN 45 1HE2 GLN 45 32.748 23.540 -19.426 320 1HE2 GLN 45 2HE2 GLN 45 33.057 22.594 -18.014 321 H THR 46 H THR 46 26.701 23.210 -17.622 322 HA THR 46 HA THR 46 24.883 22.650 -19.772 323 HB THR 46 HB THR 46 23.612 20.926 -18.325 324 HG1 THR 46 HG1 THR 46 24.624 20.483 -16.518 325 1HG2 THR 46 1HG2 THR 46 24.822 20.510 -20.502 326 2HG2 THR 46 2HG2 THR 46 26.208 19.991 -19.540 327 3HG2 THR 46 3HG2 THR 46 24.682 19.113 -19.434 328 H TYR 47 H TYR 47 23.362 24.152 -19.564 329 HA TYR 47 HA TYR 47 22.411 24.833 -16.867 330 1HB TYR 47 1HB TYR 47 22.235 27.219 -17.630 331 2HB TYR 47 2HB TYR 47 23.887 26.628 -17.469 332 HD1 TYR 47 HD1 TYR 47 21.214 27.357 -19.931 333 HD2 TYR 47 HD2 TYR 47 25.364 26.650 -19.310 334 HE1 TYR 47 HE1 TYR 47 21.670 28.031 -22.251 335 HE2 TYR 47 HE2 TYR 47 25.832 27.322 -21.629 336 HH TYR 47 HH TYR 47 24.021 27.317 -23.947 337 H GLY 48 H GLY 48 20.288 24.633 -16.672 338 1HA GLY 48 1HA GLY 48 18.123 24.118 -17.301 339 2HA GLY 48 2HA GLY 48 18.274 25.653 -18.142 340 H GLY 49 H GLY 49 17.394 25.428 -20.083 341 1HA GLY 49 1HA GLY 49 17.597 24.746 -22.348 342 2HA GLY 49 2HA GLY 49 18.388 23.273 -21.805 343 H ASN 50 H ASN 50 17.211 21.469 -21.790 344 HA ASN 50 HA ASN 50 14.295 21.735 -22.051 345 1HB ASN 50 1HB ASN 50 15.080 20.546 -23.919 346 2HB ASN 50 2HB ASN 50 16.241 19.630 -22.964 347 2HD2 ASN 50 1HD2 ASN 50 13.098 19.737 -24.245 348 1HD2 ASN 50 2HD2 ASN 50 12.511 18.266 -23.555 349 H SER 51 H SER 51 16.766 20.748 -19.947 350 HA SER 51 HA SER 51 14.828 19.292 -18.278 351 1HB SER 51 1HB SER 51 17.751 18.830 -18.758 352 2HB SER 51 2HB SER 51 17.025 18.332 -17.230 353 HG SER 51 HG SER 51 15.988 17.589 -19.759 354 H ASN 52 H ASN 52 17.985 20.205 -17.155 355 HA ASN 52 HA ASN 52 17.271 22.683 -15.989 356 1HB ASN 52 1HB ASN 52 16.054 20.783 -14.614 357 2HB ASN 52 2HB ASN 52 17.647 20.589 -13.888 358 2HD2 ASN 52 1HD2 ASN 52 16.926 21.282 -11.885 359 1HD2 ASN 52 2HD2 ASN 52 16.558 22.938 -11.560 360 H GLY 53 H GLY 53 19.418 21.292 -17.469 361 1HA GLY 53 1HA GLY 53 21.703 21.669 -17.592 362 2HA GLY 53 2HA GLY 53 21.633 22.414 -16.001 363 H GLU 54 H GLU 54 20.349 19.226 -16.580 364 HA GLU 54 HA GLU 54 21.960 18.085 -14.533 365 1HB GLU 54 1HB GLU 54 20.310 16.650 -16.618 366 2HB GLU 54 2HB GLU 54 20.865 15.993 -15.084 367 1HG GLU 54 1HG GLU 54 19.510 17.848 -13.988 368 2HG GLU 54 2HG GLU 54 18.770 18.080 -15.572 369 HA PRO 55 HA PRO 55 25.593 16.608 -16.506 370 1HB PRO 55 2HB PRO 55 26.350 14.798 -15.316 371 2HB PRO 55 1HB PRO 55 24.890 13.854 -15.636 372 1HG PRO 55 1HG PRO 55 24.529 14.412 -13.409 373 2HG PRO 55 2HG PRO 55 25.373 15.964 -13.568 374 1HD PRO 55 2HD PRO 55 23.201 16.742 -13.677 375 2HD PRO 55 1HD PRO 55 22.590 15.226 -14.373 376 H CYS 56 H CYS 56 26.145 15.962 -18.512 377 HA CYS 56 HA CYS 56 24.172 15.149 -20.350 378 1HB CYS 56 1HB CYS 56 27.179 15.051 -20.638 379 2HB CYS 56 2HB CYS 56 26.014 14.949 -21.953 380 H VAL 57 H VAL 57 25.135 13.212 -21.945 381 HA VAL 57 HA VAL 57 25.865 10.859 -20.450 382 HB VAL 57 HB VAL 57 23.380 11.135 -20.052 383 1HG1 VAL 57 1HG1 VAL 57 23.266 11.704 -22.708 384 2HG1 VAL 57 2HG1 VAL 57 22.762 10.014 -22.691 385 3HG1 VAL 57 3HG1 VAL 57 21.889 11.205 -21.729 386 1HG2 VAL 57 1HG2 VAL 57 24.774 8.955 -20.062 387 2HG2 VAL 57 2HG2 VAL 57 23.014 8.840 -20.081 388 3HG2 VAL 57 3HG2 VAL 57 23.929 8.613 -21.573 389 H LEU 58 H LEU 58 27.332 11.818 -22.424 390 HA LEU 58 HA LEU 58 26.521 10.501 -24.902 391 1HB LEU 58 1HB LEU 58 28.908 11.584 -25.533 392 2HB LEU 58 2HB LEU 58 27.376 12.411 -25.704 393 HG LEU 58 HG LEU 58 29.148 13.795 -24.667 394 1HD1 LEU 58 1HD1 LEU 58 26.479 13.328 -23.663 395 2HD1 LEU 58 2HD1 LEU 58 27.546 13.986 -22.421 396 3HD1 LEU 58 3HD1 LEU 58 27.333 14.845 -23.947 397 1HD2 LEU 58 1HD2 LEU 58 29.454 11.465 -23.026 398 2HD2 LEU 58 2HD2 LEU 58 30.468 12.905 -23.123 399 3HD2 LEU 58 3HD2 LEU 58 29.092 12.867 -22.019 400 HA PRO 59 HA PRO 59 28.168 10.286 -26.829 401 1HB PRO 59 1HB PRO 59 28.087 7.568 -27.890 402 2HB PRO 59 2HB PRO 59 29.095 8.925 -28.386 403 1HG PRO 59 1HG PRO 59 30.104 6.770 -27.106 404 2HG PRO 59 2HG PRO 59 30.772 8.399 -26.902 405 1HD PRO 59 1HD PRO 59 28.945 6.859 -25.101 406 2HD PRO 59 2HD PRO 59 30.327 7.895 -24.685 407 H PHE 60 H PHE 60 26.185 10.680 -27.567 408 HA PHE 60 HA PHE 60 24.038 8.764 -26.914 409 1HB PHE 60 1HB PHE 60 22.538 10.836 -26.965 410 2HB PHE 60 2HB PHE 60 23.613 10.671 -25.581 411 HD1 PHE 60 HD1 PHE 60 22.951 12.511 -28.675 412 HD2 PHE 60 HD2 PHE 60 25.450 12.183 -25.248 413 HE1 PHE 60 HE1 PHE 60 23.885 14.737 -29.148 414 HE2 PHE 60 HE2 PHE 60 26.389 14.409 -25.715 415 HZ PHE 60 HZ PHE 60 25.608 15.685 -27.668 416 H THR 61 H THR 61 22.031 9.291 -28.397 417 HA THR 61 HA THR 61 23.035 9.664 -31.144 418 HB THR 61 HB THR 61 20.621 8.017 -30.914 419 HG1 THR 61 HG1 THR 61 23.029 6.754 -30.147 420 1HG2 THR 61 1HG2 THR 61 23.286 7.701 -32.298 421 2HG2 THR 61 2HG2 THR 61 21.927 6.593 -32.485 422 3HG2 THR 61 3HG2 THR 61 21.778 8.268 -33.017 423 H TYR 62 H TYR 62 22.104 11.250 -32.239 424 HA TYR 62 HA TYR 62 19.325 11.953 -31.685 425 1HB TYR 62 1HB TYR 62 20.574 13.472 -30.264 426 2HB TYR 62 2HB TYR 62 21.606 13.936 -31.612 427 HD1 TYR 62 HD1 TYR 62 18.000 13.875 -30.649 428 HD2 TYR 62 HD2 TYR 62 21.092 15.864 -32.786 429 HE1 TYR 62 HE1 TYR 62 16.435 15.685 -31.214 430 HE2 TYR 62 HE2 TYR 62 19.538 17.680 -33.358 431 HH TYR 62 HH TYR 62 16.659 17.656 -33.515 432 H ASN 63 H ASN 63 18.206 12.430 -33.475 433 HA ASN 63 HA ASN 63 17.701 12.852 -35.651 434 1HB ASN 63 1HB ASN 63 20.378 14.175 -35.416 435 2HB ASN 63 2HB ASN 63 19.629 14.014 -37.001 436 2HD2 ASN 63 1HD2 ASN 63 20.208 16.432 -35.592 437 1HD2 ASN 63 2HD2 ASN 63 18.703 17.240 -35.330 438 H GLY 64 H GLY 64 19.643 10.543 -34.628 439 1HA GLY 64 1HA GLY 64 19.770 8.472 -35.830 440 2HA GLY 64 2HA GLY 64 19.915 9.390 -37.320 441 H ARG 65 H ARG 65 21.868 11.015 -35.304 442 HA ARG 65 HA ARG 65 24.195 9.390 -36.084 443 1HB ARG 65 1HB ARG 65 25.490 11.368 -36.234 444 2HB ARG 65 2HB ARG 65 23.976 11.709 -37.058 445 1HG ARG 65 1HG ARG 65 23.238 12.708 -34.795 446 2HG ARG 65 2HG ARG 65 24.964 12.728 -34.429 447 1HD ARG 65 1HD ARG 65 24.912 14.746 -35.422 448 2HD ARG 65 2HD ARG 65 24.954 13.807 -36.912 449 HE ARG 65 HE ARG 65 22.290 14.047 -36.216 450 1HH1 ARG 65 1HH1 ARG 65 24.922 16.173 -37.043 451 2HH1 ARG 65 2HH1 ARG 65 23.895 17.387 -37.733 452 1HH2 ARG 65 1HH2 ARG 65 20.931 15.634 -37.122 453 2HH2 ARG 65 2HH2 ARG 65 21.626 17.081 -37.777 454 H THR 66 H THR 66 26.098 10.703 -34.497 455 HA THR 66 HA THR 66 25.212 10.295 -31.738 456 HB THR 66 HB THR 66 27.668 8.917 -32.834 457 HG1 THR 66 HG1 THR 66 25.033 8.160 -32.792 458 1HG2 THR 66 1HG2 THR 66 26.800 9.540 -30.193 459 2HG2 THR 66 2HG2 THR 66 26.712 7.794 -30.415 460 3HG2 THR 66 3HG2 THR 66 28.230 8.643 -30.700 461 H PHE 67 H PHE 67 26.441 11.367 -30.185 462 HA PHE 67 HA PHE 67 28.645 13.041 -31.164 463 1HB PHE 67 1HB PHE 67 26.598 14.146 -29.260 464 2HB PHE 67 2HB PHE 67 27.764 15.016 -30.253 465 HD1 PHE 67 HD1 PHE 67 24.959 12.598 -30.769 466 HD2 PHE 67 HD2 PHE 67 26.898 16.177 -32.018 467 HE1 PHE 67 HE1 PHE 67 23.241 12.921 -32.500 468 HE2 PHE 67 HE2 PHE 67 25.184 16.504 -33.752 469 HZ PHE 67 HZ PHE 67 23.354 14.873 -33.995 470 H TYR 68 H TYR 68 30.297 13.373 -29.735 471 HA TYR 68 HA TYR 68 30.232 11.755 -27.308 472 1HB TYR 68 1HB TYR 68 32.451 12.996 -28.923 473 2HB TYR 68 2HB TYR 68 32.736 12.320 -27.323 474 HD1 TYR 68 HD1 TYR 68 30.213 10.366 -28.547 475 HD2 TYR 68 HD2 TYR 68 34.342 11.119 -29.213 476 HE1 TYR 68 HE1 TYR 68 30.456 8.127 -29.532 477 HE2 TYR 68 HE2 TYR 68 34.603 8.884 -30.192 478 HH TYR 68 HH TYR 68 32.650 7.179 -31.431 479 H SER 69 H SER 69 29.134 14.637 -27.812 480 HA SER 69 HA SER 69 29.433 15.571 -25.203 481 1HB SER 69 1HB SER 69 31.752 16.045 -26.659 482 2HB SER 69 2HB SER 69 30.897 17.586 -26.705 483 HG SER 69 HG SER 69 31.417 16.098 -24.344 484 H CYS 70 H CYS 70 29.473 18.364 -25.749 485 HA CYS 70 HA CYS 70 26.756 18.835 -26.252 486 1HB CYS 70 2HB CYS 70 27.225 21.082 -25.866 487 2HB CYS 70 1HB CYS 70 28.809 20.988 -26.625 488 H THR 71 H THR 71 25.852 20.235 -27.984 489 HA THR 71 HA THR 71 27.213 20.614 -30.437 490 HB THR 71 HB THR 71 26.946 18.103 -30.453 491 HG1 THR 71 HG1 THR 71 27.064 19.524 -32.377 492 1HG2 THR 71 1HG2 THR 71 24.307 18.752 -29.732 493 2HG2 THR 71 2HG2 THR 71 24.223 18.115 -31.373 494 3HG2 THR 71 3HG2 THR 71 24.961 17.154 -30.091 495 H THR 72 H THR 72 25.788 21.374 -32.168 496 HA THR 72 HA THR 72 23.191 22.355 -31.178 497 HB THR 72 HB THR 72 23.874 24.256 -33.007 498 HG1 THR 72 HG1 THR 72 25.971 23.953 -33.317 499 1HG2 THR 72 1HG2 THR 72 24.480 24.265 -30.051 500 2HG2 THR 72 2HG2 THR 72 24.403 25.701 -31.067 501 3HG2 THR 72 3HG2 THR 72 22.957 24.726 -30.806 502 H GLU 73 H GLU 73 22.492 20.330 -32.323 503 HA GLU 73 HA GLU 73 22.141 20.869 -35.200 504 1HB GLU 73 1HB GLU 73 22.683 18.250 -33.817 505 2HB GLU 73 2HB GLU 73 22.054 18.344 -35.454 506 1HG GLU 73 1HG GLU 73 24.612 19.674 -34.619 507 2HG GLU 73 2HG GLU 73 24.544 18.016 -35.216 508 H GLY 74 H GLY 74 20.515 21.187 -32.607 509 1HA GLY 74 1HA GLY 74 17.977 20.964 -33.673 510 2HA GLY 74 2HA GLY 74 18.283 19.457 -32.831 511 H ARG 75 H ARG 75 18.570 22.957 -32.311 512 HA ARG 75 HA ARG 75 17.557 22.522 -29.582 513 1HB ARG 75 1HB ARG 75 18.841 24.654 -29.014 514 2HB ARG 75 2HB ARG 75 19.789 23.198 -29.273 515 1HG ARG 75 1HG ARG 75 19.332 25.114 -31.520 516 2HG ARG 75 2HG ARG 75 20.569 25.427 -30.307 517 1HD ARG 75 1HD ARG 75 21.694 23.395 -30.823 518 2HD ARG 75 2HD ARG 75 20.385 22.868 -31.868 519 HE ARG 75 HE ARG 75 22.274 25.048 -32.459 520 1HH1 ARG 75 1HH1 ARG 75 19.880 22.753 -33.579 521 2HH1 ARG 75 2HH1 ARG 75 20.209 23.052 -35.247 522 1HH2 ARG 75 1HH2 ARG 75 22.685 25.432 -34.650 523 2HH2 ARG 75 2HH2 ARG 75 21.793 24.567 -35.856 524 H GLN 76 H GLN 76 16.919 24.936 -28.731 525 HA GLN 76 HA GLN 76 14.691 25.658 -30.440 526 1HB GLN 76 1HB GLN 76 15.426 26.776 -27.732 527 2HB GLN 76 2HB GLN 76 13.878 26.927 -28.552 528 1HG GLN 76 1HG GLN 76 13.796 24.371 -28.462 529 2HG GLN 76 2HG GLN 76 15.099 24.507 -27.281 530 2HE2 GLN 76 1HE2 GLN 76 13.511 23.459 -25.880 531 1HE2 GLN 76 2HE2 GLN 76 12.357 24.441 -25.051 532 H ASP 77 H ASP 77 17.574 26.405 -31.032 533 HA ASP 77 HA ASP 77 17.148 28.825 -32.292 534 1HB ASP 77 1HB ASP 77 16.924 29.828 -30.081 535 2HB ASP 77 2HB ASP 77 18.484 29.168 -29.600 536 H GLY 78 H GLY 78 19.928 28.105 -30.226 537 1HA GLY 78 1HA GLY 78 21.461 26.709 -32.111 538 2HA GLY 78 2HA GLY 78 21.814 28.421 -32.291 539 H HIS 79 H HIS 79 20.989 26.934 -29.232 540 HA HIS 79 HA HIS 79 23.635 27.674 -28.224 541 1HB HIS 79 1HB HIS 79 21.511 26.699 -26.386 542 2HB HIS 79 2HB HIS 79 22.680 27.995 -26.166 543 HD1 HIS 79 HD1 HIS 79 19.391 27.943 -25.880 544 HD2 HIS 79 HD2 HIS 79 21.735 29.866 -28.720 545 HE1 HIS 79 HE1 HIS 79 17.970 29.820 -26.765 546 HE2 HIS 79 HE2 HIS 79 19.447 31.031 -28.408 547 H LEU 80 H LEU 80 25.129 26.190 -27.797 548 HA LEU 80 HA LEU 80 25.130 23.583 -28.481 549 1HB LEU 80 1HB LEU 80 26.501 25.026 -26.249 550 2HB LEU 80 2HB LEU 80 26.754 23.309 -26.467 551 HG LEU 80 HG LEU 80 27.760 23.636 -28.604 552 1HD1 LEU 80 1HD1 LEU 80 26.183 25.426 -29.329 553 2HD1 LEU 80 2HD1 LEU 80 27.128 26.572 -28.378 554 3HD1 LEU 80 3HD1 LEU 80 27.870 25.735 -29.742 555 1HD2 LEU 80 1HD2 LEU 80 29.041 24.220 -26.456 556 2HD2 LEU 80 2HD2 LEU 80 29.722 24.743 -27.997 557 3HD2 LEU 80 3HD2 LEU 80 28.866 25.899 -26.973 558 H TRP 81 H TRP 81 24.263 21.715 -27.791 559 HA TRP 81 HA TRP 81 23.140 21.572 -25.091 560 1HB TRP 81 1HB TRP 81 21.019 20.732 -25.869 561 2HB TRP 81 2HB TRP 81 21.331 22.270 -26.667 562 HD1 TRP 81 HD1 TRP 81 21.435 22.272 -29.277 563 HE1 TRP 81 HE1 TRP 81 21.109 20.469 -31.072 564 HE3 TRP 81 HE3 TRP 81 21.454 18.122 -26.286 565 HZ2 TRP 81 HZ2 TRP 81 20.888 17.659 -31.218 566 HZ3 TRP 81 HZ3 TRP 81 21.181 15.913 -27.336 567 HH2 TRP 81 HH2 TRP 81 20.904 15.688 -29.752 568 H CYS 82 H CYS 82 23.003 19.507 -24.229 569 HA CYS 82 HA CYS 82 24.183 17.354 -25.854 570 1HB CYS 82 1HB CYS 82 25.518 16.616 -24.061 571 2HB CYS 82 2HB CYS 82 25.703 18.365 -24.052 572 H SER 83 H SER 83 23.859 15.199 -24.297 573 HA SER 83 HA SER 83 20.948 15.139 -23.841 574 1HB SER 83 1HB SER 83 21.378 13.686 -25.644 575 2HB SER 83 2HB SER 83 22.846 13.054 -24.900 576 HG SER 83 HG SER 83 20.155 12.534 -24.215 577 H THR 84 H THR 84 20.176 14.510 -21.913 578 HA THR 84 HA THR 84 22.106 13.918 -19.809 579 HB THR 84 HB THR 84 20.315 14.336 -18.236 580 HG1 THR 84 HG1 THR 84 18.275 14.218 -18.812 581 1HG2 THR 84 1HG2 THR 84 21.506 16.267 -19.351 582 2HG2 THR 84 2HG2 THR 84 20.087 16.436 -20.386 583 3HG2 THR 84 3HG2 THR 84 19.938 16.646 -18.640 584 H THR 85 H THR 85 19.638 12.400 -21.690 585 HA THR 85 HA THR 85 19.964 9.927 -20.116 586 HB THR 85 HB THR 85 17.536 10.786 -21.706 587 HG1 THR 85 HG1 THR 85 18.150 11.593 -19.389 588 1HG2 THR 85 1HG2 THR 85 18.386 8.210 -21.189 589 2HG2 THR 85 2HG2 THR 85 17.244 8.531 -19.884 590 3HG2 THR 85 3HG2 THR 85 16.734 8.700 -21.564 591 H SER 86 H SER 86 20.633 8.145 -21.189 592 HA SER 86 HA SER 86 21.877 8.282 -23.648 593 1HB SER 86 1HB SER 86 22.093 6.447 -21.903 594 2HB SER 86 2HB SER 86 20.612 5.759 -22.568 595 HG SER 86 HG SER 86 22.502 6.365 -24.461 596 H ASN 87 H ASN 87 18.551 7.398 -22.895 597 HA ASN 87 HA ASN 87 17.968 6.983 -25.727 598 1HB ASN 87 1HB ASN 87 17.113 5.569 -23.641 599 2HB ASN 87 2HB ASN 87 15.852 6.798 -23.632 600 2HD2 ASN 87 1HD2 ASN 87 14.914 4.430 -24.025 601 1HD2 ASN 87 2HD2 ASN 87 14.539 4.114 -25.682 602 H TYR 88 H TYR 88 18.392 9.315 -26.130 603 HA TYR 88 HA TYR 88 16.586 11.265 -25.074 604 1HB TYR 88 1HB TYR 88 18.666 12.135 -25.747 605 2HB TYR 88 2HB TYR 88 18.627 11.278 -27.285 606 HD1 TYR 88 HD1 TYR 88 16.713 11.984 -28.923 607 HD2 TYR 88 HD2 TYR 88 18.082 14.379 -25.684 608 HE1 TYR 88 HE1 TYR 88 15.785 13.981 -30.016 609 HE2 TYR 88 HE2 TYR 88 17.155 16.383 -26.767 610 HH TYR 88 HH TYR 88 15.243 16.828 -28.490 611 H GLU 89 H GLU 89 16.638 9.130 -27.811 612 HA GLU 89 HA GLU 89 14.701 10.434 -29.395 613 1HB GLU 89 1HB GLU 89 15.511 7.528 -29.241 614 2HB GLU 89 2HB GLU 89 14.409 8.170 -30.450 615 1HG GLU 89 1HG GLU 89 16.056 9.178 -31.622 616 2HG GLU 89 2HG GLU 89 17.017 9.527 -30.186 617 H GLN 90 H GLN 90 14.491 8.662 -26.491 618 HA GLN 90 HA GLN 90 11.581 8.362 -26.807 619 1HB GLN 90 1HB GLN 90 12.115 6.230 -26.251 620 2HB GLN 90 2HB GLN 90 13.653 6.694 -25.540 621 1HG GLN 90 1HG GLN 90 12.369 5.782 -23.797 622 2HG GLN 90 2HG GLN 90 12.349 7.529 -23.552 623 2HE2 GLN 90 1HE2 GLN 90 10.485 5.739 -22.452 624 1HE2 GLN 90 2HE2 GLN 90 8.934 6.092 -23.125 625 H ASP 91 H ASP 91 14.122 9.338 -24.550 626 HA ASP 91 HA ASP 91 12.243 10.455 -22.673 627 1HB ASP 91 1HB ASP 91 15.223 10.252 -22.844 628 2HB ASP 91 2HB ASP 91 14.512 11.433 -21.747 629 H GLN 92 H GLN 92 14.690 11.759 -24.898 630 HA GLN 92 HA GLN 92 14.812 13.742 -26.010 631 1HB GLN 92 1HB GLN 92 12.142 13.267 -25.932 632 2HB GLN 92 2HB GLN 92 12.220 14.792 -25.061 633 1HG GLN 92 2HG GLN 92 13.723 15.495 -27.101 634 2HG GLN 92 1HG GLN 92 11.963 15.570 -27.177 635 2HE2 GLN 92 1HE2 GLN 92 11.019 14.614 -28.830 636 1HE2 GLN 92 2HE2 GLN 92 11.730 13.416 -29.850 637 H LYS 93 H LYS 93 15.679 13.424 -23.260 638 HA LYS 93 HA LYS 93 15.229 16.089 -22.128 639 1HB LYS 93 1HB LYS 93 16.276 13.507 -21.013 640 2HB LYS 93 2HB LYS 93 16.619 15.028 -20.200 641 1HG LYS 93 1HG LYS 93 14.547 13.582 -19.527 642 2HG LYS 93 2HG LYS 93 14.445 15.344 -19.567 643 1HD LYS 93 1HD LYS 93 13.326 15.319 -21.659 644 2HD LYS 93 2HD LYS 93 13.681 13.608 -21.905 645 1HE LYS 93 1HE LYS 93 11.311 14.353 -21.107 646 2HE LYS 93 2HE LYS 93 12.068 12.919 -20.415 647 1HZ LYS 93 1HZ LYS 93 12.497 15.514 -19.112 648 2HZ LYS 93 2HZ LYS 93 11.013 14.733 -18.891 649 3HZ LYS 93 3HZ LYS 93 12.449 13.965 -18.434 650 H TYR 94 H TYR 94 16.559 17.554 -23.011 651 HA TYR 94 HA TYR 94 19.426 16.883 -23.144 652 1HB TYR 94 1HB TYR 94 19.679 18.066 -25.155 653 2HB TYR 94 2HB TYR 94 18.174 17.178 -25.373 654 HD1 TYR 94 HD1 TYR 94 19.469 20.520 -24.328 655 HD2 TYR 94 HD2 TYR 94 16.246 18.312 -26.018 656 HE1 TYR 94 HE1 TYR 94 18.304 22.629 -24.846 657 HE2 TYR 94 HE2 TYR 94 15.075 20.410 -26.539 658 HH TYR 94 HH TYR 94 15.299 22.659 -26.686 659 H SER 95 H SER 95 20.877 18.750 -22.996 660 HA SER 95 HA SER 95 19.755 20.956 -21.404 661 1HB SER 95 1HB SER 95 22.297 20.749 -20.425 662 2HB SER 95 2HB SER 95 20.878 20.037 -19.658 663 HG SER 95 HG SER 95 21.494 18.099 -20.281 664 H PHE 96 H PHE 96 22.017 22.487 -21.110 665 HA PHE 96 HA PHE 96 22.657 23.116 -23.910 666 1HB PHE 96 1HB PHE 96 22.209 24.852 -21.510 667 2HB PHE 96 2HB PHE 96 23.217 25.436 -22.833 668 HD1 PHE 96 HD1 PHE 96 21.816 24.235 -25.142 669 HD2 PHE 96 HD2 PHE 96 20.289 26.181 -21.679 670 HE1 PHE 96 HE1 PHE 96 19.801 24.870 -26.397 671 HE2 PHE 96 HE2 PHE 96 18.265 26.817 -22.929 672 HZ PHE 96 HZ PHE 96 18.022 26.157 -25.290 673 H CYS 97 H CYS 97 24.795 24.656 -23.843 674 HA CYS 97 HA CYS 97 26.825 23.623 -22.066 675 1HB CYS 97 1HB CYS 97 26.370 22.463 -24.698 676 2HB CYS 97 2HB CYS 97 28.011 23.072 -24.509 677 H THR 98 H THR 98 27.222 25.832 -21.589 678 HA THR 98 HA THR 98 27.575 27.915 -23.350 679 HB THR 98 HB THR 98 27.696 28.559 -21.117 680 HG1 THR 98 HG1 THR 98 29.427 29.797 -21.238 681 1HG2 THR 98 1HG2 THR 98 29.625 26.283 -20.811 682 2HG2 THR 98 2HG2 THR 98 29.568 27.583 -19.619 683 3HG2 THR 98 3HG2 THR 98 28.133 26.606 -19.927 684 H ASP 99 H ASP 99 29.917 28.978 -23.632 685 HA ASP 99 HA ASP 99 31.977 27.079 -24.275 686 1HB ASP 99 1HB ASP 99 30.181 27.340 -26.242 687 2HB ASP 99 2HB ASP 99 31.194 28.729 -26.620 688 H HIS 100 H HIS 100 30.796 30.395 -24.604 689 HA HIS 100 HA HIS 100 33.109 31.483 -23.385 690 1HB HIS 100 1HB HIS 100 34.193 31.015 -25.492 691 2HB HIS 100 2HB HIS 100 32.888 31.789 -26.385 692 HD1 HIS 100 HD1 HIS 100 34.800 33.139 -23.395 693 HD2 HIS 100 HD2 HIS 100 34.114 33.989 -27.404 694 HE1 HIS 100 HE1 HIS 100 35.918 35.351 -23.813 695 HE2 HIS 100 HE2 HIS 100 35.488 35.850 -26.245 696 H THR 101 H THR 101 31.655 33.152 -26.087 697 HA THR 101 HA THR 101 30.486 35.067 -24.229 698 HB THR 101 HB THR 101 31.895 35.725 -26.266 699 HG1 THR 101 HG1 THR 101 30.972 37.557 -25.788 700 1HG2 THR 101 1HG2 THR 101 30.683 34.216 -27.845 701 2HG2 THR 101 2HG2 THR 101 29.278 35.272 -27.700 702 3HG2 THR 101 3HG2 THR 101 30.779 35.890 -28.388 No H/Q in entry = 702 Start of MODEL 47 1 H1 TYR 1 H1 TYR 1 53.815 16.878 -32.903 2 H2 TYR 1 H2 TYR 1 53.680 17.679 -34.387 3 H3 TYR 1 H3 TYR 1 53.067 16.112 -34.215 4 HA TYR 1 HA TYR 1 55.131 16.053 -35.428 5 1HB TYR 1 1HB TYR 1 55.786 18.113 -33.653 6 2HB TYR 1 2HB TYR 1 56.854 16.785 -33.210 7 HD1 TYR 1 HD1 TYR 1 55.609 18.450 -36.322 8 HD2 TYR 1 HD2 TYR 1 58.901 16.714 -34.260 9 HE1 TYR 1 HE1 TYR 1 57.080 19.012 -38.211 10 HE2 TYR 1 HE2 TYR 1 60.382 17.272 -36.142 11 HH TYR 1 HH TYR 1 60.127 17.703 -38.620 12 H GLY 2 H GLY 2 54.086 13.946 -34.868 13 1HA GLY 2 1HA GLY 2 55.508 11.902 -34.243 14 2HA GLY 2 2HA GLY 2 55.441 12.592 -32.629 15 H HIS 3 H HIS 3 54.420 10.023 -33.802 16 HA HIS 3 HA HIS 3 51.676 9.938 -34.054 17 1HB HIS 3 1HB HIS 3 53.704 7.994 -33.012 18 2HB HIS 3 2HB HIS 3 51.993 7.602 -32.907 19 HD1 HIS 3 HD1 HIS 3 53.878 9.229 -35.779 20 HD2 HIS 3 HD2 HIS 3 51.651 5.826 -34.925 21 HE1 HIS 3 HE1 HIS 3 53.644 8.012 -37.968 22 HE2 HIS 3 HE2 HIS 3 52.376 5.908 -37.407 23 H CYS 4 H CYS 4 50.062 9.113 -32.475 24 HA CYS 4 HA CYS 4 50.506 10.365 -29.842 25 1HB CYS 4 1HB CYS 4 47.831 10.121 -29.915 26 2HB CYS 4 2HB CYS 4 48.683 11.522 -30.544 27 H VAL 5 H VAL 5 50.684 9.052 -28.162 28 HA VAL 5 HA VAL 5 49.480 6.364 -28.343 29 HB VAL 5 HB VAL 5 51.934 7.115 -26.750 30 1HG1 VAL 5 1HG1 VAL 5 50.333 4.644 -27.090 31 2HG1 VAL 5 2HG1 VAL 5 52.085 4.470 -27.006 32 3HG1 VAL 5 3HG1 VAL 5 51.213 5.242 -25.683 33 1HG2 VAL 5 1HG2 VAL 5 51.832 6.953 -29.472 34 2HG2 VAL 5 2HG2 VAL 5 53.265 6.643 -28.492 35 3HG2 VAL 5 3HG2 VAL 5 52.254 5.299 -29.025 36 H THR 6 H THR 6 48.236 5.661 -26.683 37 HA THR 6 HA THR 6 47.271 7.592 -24.804 38 HB THR 6 HB THR 6 45.704 5.960 -24.100 39 HG1 THR 6 HG1 THR 6 46.252 3.927 -23.939 40 1HG2 THR 6 1HG2 THR 6 46.349 5.892 -27.016 41 2HG2 THR 6 2HG2 THR 6 45.071 4.852 -26.388 42 3HG2 THR 6 3HG2 THR 6 44.964 6.601 -26.188 43 H ASP 7 H ASP 7 49.252 4.663 -24.588 44 HA ASP 7 HA ASP 7 50.699 5.605 -22.357 45 1HB ASP 7 1HB ASP 7 48.852 5.171 -20.964 46 2HB ASP 7 2HB ASP 7 48.444 3.688 -21.821 47 H SER 8 H SER 8 49.488 2.585 -23.783 48 HA SER 8 HA SER 8 51.911 1.787 -24.896 49 1HB SER 8 2HB SER 8 52.546 1.663 -22.440 50 2HB SER 8 1HB SER 8 52.804 0.186 -23.368 51 HG SER 8 HG SER 8 50.590 0.744 -21.681 52 H GLY 9 H GLY 9 49.456 1.705 -25.912 53 1HA GLY 9 1HA GLY 9 49.034 -1.149 -26.303 54 2HA GLY 9 2HA GLY 9 47.665 -0.251 -25.671 55 H VAL 10 H VAL 10 47.531 1.992 -27.015 56 HA VAL 10 HA VAL 10 47.375 1.163 -29.840 57 HB VAL 10 HB VAL 10 45.681 3.363 -28.717 58 1HG1 VAL 10 1HG1 VAL 10 45.989 2.103 -31.222 59 2HG1 VAL 10 2HG1 VAL 10 44.401 1.648 -30.605 60 3HG1 VAL 10 3HG1 VAL 10 44.829 3.352 -30.766 61 1HG2 VAL 10 1HG2 VAL 10 45.564 0.606 -27.906 62 2HG2 VAL 10 2HG2 VAL 10 44.605 1.977 -27.350 63 3HG2 VAL 10 3HG2 VAL 10 44.095 1.060 -28.767 64 H VAL 11 H VAL 11 49.087 2.031 -30.840 65 HA VAL 11 HA VAL 11 50.071 4.662 -30.113 66 HB VAL 11 HB VAL 11 51.057 2.916 -32.365 67 1HG1 VAL 11 1HG1 VAL 11 51.705 5.511 -31.569 68 2HG1 VAL 11 2HG1 VAL 11 53.020 4.499 -30.973 69 3HG1 VAL 11 3HG1 VAL 11 52.600 4.482 -32.687 70 1HG2 VAL 11 1HG2 VAL 11 50.993 1.814 -30.052 71 2HG2 VAL 11 2HG2 VAL 11 52.531 1.820 -30.914 72 3HG2 VAL 11 3HG2 VAL 11 52.247 2.972 -29.610 73 H TYR 12 H TYR 12 48.144 5.813 -30.741 74 HA TYR 12 HA TYR 12 47.096 5.877 -33.337 75 1HB TYR 12 1HB TYR 12 47.189 8.021 -31.206 76 2HB TYR 12 2HB TYR 12 46.240 8.147 -32.681 77 HD1 TYR 12 HD1 TYR 12 44.529 6.221 -33.097 78 HD2 TYR 12 HD2 TYR 12 46.249 7.116 -29.312 79 HE1 TYR 12 HE1 TYR 12 42.670 5.054 -31.985 80 HE2 TYR 12 HE2 TYR 12 44.395 5.949 -28.187 81 HH TYR 12 HH TYR 12 42.077 4.055 -29.946 82 H SER 13 H SER 13 47.178 8.073 -34.618 83 HA SER 13 HA SER 13 49.998 8.868 -34.889 84 1HB SER 13 1HB SER 13 48.130 7.789 -36.898 85 2HB SER 13 2HB SER 13 49.036 9.212 -37.411 86 HG SER 13 HG SER 13 50.942 8.123 -36.971 87 H VAL 14 H VAL 14 50.345 10.968 -35.862 88 HA VAL 14 HA VAL 14 49.107 13.050 -34.644 89 HB VAL 14 HB VAL 14 51.082 13.573 -35.777 90 1HG1 VAL 14 1HG1 VAL 14 49.826 12.122 -38.031 91 2HG1 VAL 14 2HG1 VAL 14 50.961 13.412 -38.430 92 3HG1 VAL 14 3HG1 VAL 14 51.478 12.061 -37.422 93 1HG2 VAL 14 1HG2 VAL 14 48.845 15.098 -36.217 94 2HG2 VAL 14 2HG2 VAL 14 50.504 15.591 -36.552 95 3HG2 VAL 14 3HG2 VAL 14 49.510 14.911 -37.840 96 H GLY 15 H GLY 15 46.870 12.778 -34.541 97 1HA GLY 15 1HA GLY 15 44.822 13.696 -35.241 98 2HA GLY 15 2HA GLY 15 45.459 13.816 -36.870 99 H MET 16 H MET 16 44.904 11.189 -34.534 100 HA MET 16 HA MET 16 43.717 9.628 -36.724 101 1HB MET 16 1HB MET 16 45.560 8.966 -34.642 102 2HB MET 16 2HB MET 16 44.096 8.019 -34.414 103 1HG MET 16 1HG MET 16 45.150 8.139 -37.163 104 2HG MET 16 2HG MET 16 46.129 7.264 -35.987 105 1HE MET 16 1HE MET 16 46.011 4.854 -36.239 106 2HE MET 16 2HE MET 16 45.275 5.100 -34.655 107 3HE MET 16 3HE MET 16 44.572 3.942 -35.784 108 H GLN 17 H GLN 17 43.117 11.069 -33.639 109 HA GLN 17 HA GLN 17 41.261 11.288 -32.350 110 1HB GLN 17 1HB GLN 17 40.390 11.363 -35.084 111 2HB GLN 17 2HB GLN 17 39.159 10.575 -34.107 112 1HG GLN 17 1HG GLN 17 39.774 12.719 -32.559 113 2HG GLN 17 2HG GLN 17 40.008 13.375 -34.178 114 2HE2 GLN 17 1HE2 GLN 17 37.750 12.309 -31.834 115 1HE2 GLN 17 2HE2 GLN 17 36.313 12.661 -32.727 116 H TRP 18 H TRP 18 40.257 10.038 -30.881 117 HA TRP 18 HA TRP 18 39.209 7.450 -31.562 118 1HB TRP 18 1HB TRP 18 40.668 6.095 -30.271 119 2HB TRP 18 2HB TRP 18 41.699 7.096 -31.287 120 HD1 TRP 18 HD1 TRP 18 40.549 6.754 -27.632 121 HE1 TRP 18 HE1 TRP 18 42.299 7.888 -26.128 122 HE3 TRP 18 HE3 TRP 18 43.526 8.819 -31.249 123 HZ2 TRP 18 HZ2 TRP 18 44.632 9.449 -26.430 124 HZ3 TRP 18 HZ3 TRP 18 45.495 10.111 -30.554 125 HH2 TRP 18 HH2 TRP 18 46.036 10.416 -28.197 126 H LEU 19 H LEU 19 38.750 6.259 -29.294 127 HA LEU 19 HA LEU 19 37.538 8.287 -27.534 128 1HB LEU 19 1HB LEU 19 36.390 5.935 -28.879 129 2HB LEU 19 2HB LEU 19 35.972 6.080 -27.185 130 HG LEU 19 HG LEU 19 34.219 7.174 -28.175 131 1HD1 LEU 19 1HD1 LEU 19 35.430 8.668 -26.572 132 2HD1 LEU 19 2HD1 LEU 19 36.159 9.457 -27.969 133 3HD1 LEU 19 3HD1 LEU 19 34.412 9.503 -27.747 134 1HD2 LEU 19 1HD2 LEU 19 36.188 8.140 -30.225 135 2HD2 LEU 19 2HD2 LEU 19 34.798 7.077 -30.452 136 3HD2 LEU 19 3HD2 LEU 19 34.552 8.788 -30.097 137 H LYS 20 H LYS 20 38.225 8.211 -25.500 138 HA LYS 20 HA LYS 20 39.655 5.830 -24.579 139 1HB LYS 20 1HB LYS 20 40.532 8.261 -24.382 140 2HB LYS 20 2HB LYS 20 39.410 8.396 -23.037 141 1HG LYS 20 1HG LYS 20 41.854 7.771 -22.555 142 2HG LYS 20 2HG LYS 20 40.573 6.873 -21.739 143 1HD LYS 20 1HD LYS 20 42.444 5.477 -22.683 144 2HD LYS 20 2HD LYS 20 40.821 5.021 -23.206 145 1HE LYS 20 1HE LYS 20 41.295 6.578 -25.218 146 2HE LYS 20 2HE LYS 20 42.984 6.410 -24.743 147 1HZ LYS 20 1HZ LYS 20 41.397 3.969 -25.011 148 2HZ LYS 20 2HZ LYS 20 41.853 4.763 -26.434 149 3HZ LYS 20 3HZ LYS 20 43.033 4.234 -25.342 150 H THR 21 H THR 21 39.029 4.622 -22.837 151 HA THR 21 HA THR 21 36.455 5.332 -21.588 152 HB THR 21 HB THR 21 37.365 2.631 -22.572 153 HG1 THR 21 HG1 THR 21 35.204 4.379 -23.135 154 1HG2 THR 21 1HG2 THR 21 35.546 3.321 -20.364 155 2HG2 THR 21 2HG2 THR 21 34.898 2.175 -21.540 156 3HG2 THR 21 3HG2 THR 21 36.406 1.818 -20.699 157 H GLN 22 H GLN 22 39.643 3.967 -21.210 158 HA GLN 22 HA GLN 22 39.232 3.125 -18.493 159 1HB GLN 22 1HB GLN 22 41.828 3.523 -19.990 160 2HB GLN 22 2HB GLN 22 41.616 2.632 -18.489 161 1HG GLN 22 1HG GLN 22 39.853 1.349 -20.077 162 2HG GLN 22 2HG GLN 22 41.066 1.834 -21.260 163 2HE2 GLN 22 1HE2 GLN 22 40.206 -0.440 -18.966 164 1HE2 GLN 22 2HE2 GLN 22 41.718 -1.266 -18.834 165 H GLY 23 H GLY 23 38.540 4.924 -17.352 166 1HA GLY 23 1HA GLY 23 40.596 6.597 -16.310 167 2HA GLY 23 2HA GLY 23 39.559 7.491 -17.408 168 H ASN 24 H ASN 24 37.109 6.875 -16.951 169 HA ASN 24 HA ASN 24 36.528 6.590 -14.129 170 1HB ASN 24 1HB ASN 24 36.940 9.154 -15.092 171 2HB ASN 24 2HB ASN 24 35.189 8.976 -15.147 172 2HD2 ASN 24 1HD2 ASN 24 34.955 7.203 -12.950 173 1HD2 ASN 24 2HD2 ASN 24 35.295 8.101 -11.514 174 H LYS 25 H LYS 25 35.181 7.543 -17.283 175 HA LYS 25 HA LYS 25 33.153 5.482 -17.031 176 1HB LYS 25 1HB LYS 25 31.510 7.453 -17.857 177 2HB LYS 25 2HB LYS 25 31.682 6.981 -16.173 178 1HG LYS 25 1HG LYS 25 33.673 8.932 -16.927 179 2HG LYS 25 2HG LYS 25 32.037 9.514 -17.239 180 1HD LYS 25 1HD LYS 25 32.194 8.178 -14.684 181 2HD LYS 25 2HD LYS 25 33.380 9.480 -14.791 182 1HE LYS 25 1HE LYS 25 30.589 9.991 -15.703 183 2HE LYS 25 2HE LYS 25 30.922 9.941 -13.972 184 1HZ LYS 25 1HZ LYS 25 32.754 11.590 -14.474 185 2HZ LYS 25 2HZ LYS 25 32.040 11.787 -15.996 186 3HZ LYS 25 3HZ LYS 25 31.169 12.168 -14.597 187 H GLN 26 H GLN 26 33.197 8.383 -19.057 188 HA GLN 26 HA GLN 26 34.149 6.850 -21.344 189 1HB GLN 26 1HB GLN 26 31.411 7.188 -20.928 190 2HB GLN 26 2HB GLN 26 31.828 8.422 -22.109 191 1HG GLN 26 2HG GLN 26 31.137 6.432 -23.248 192 2HG GLN 26 1HG GLN 26 32.296 5.460 -22.343 193 2HE2 GLN 26 1HE2 GLN 26 33.366 4.728 -24.146 194 1HE2 GLN 26 2HE2 GLN 26 34.361 5.746 -25.125 195 H MET 27 H MET 27 35.587 8.046 -22.400 196 HA MET 27 HA MET 27 35.199 10.946 -22.557 197 1HB MET 27 1HB MET 27 36.690 10.594 -20.665 198 2HB MET 27 2HB MET 27 37.740 9.585 -21.648 199 1HG MET 27 1HG MET 27 37.429 12.100 -22.942 200 2HG MET 27 2HG MET 27 37.848 12.374 -21.251 201 1HE MET 27 1HE MET 27 39.437 9.612 -20.725 202 2HE MET 27 2HE MET 27 41.109 10.108 -20.996 203 3HE MET 27 3HE MET 27 40.017 11.150 -20.085 204 H LEU 28 H LEU 28 36.139 11.942 -24.350 205 HA LEU 28 HA LEU 28 36.981 10.077 -26.462 206 1HB LEU 28 1HB LEU 28 35.038 11.188 -27.178 207 2HB LEU 28 2HB LEU 28 35.568 12.724 -26.521 208 HG LEU 28 HG LEU 28 37.501 12.264 -28.385 209 1HD1 LEU 28 1HD1 LEU 28 35.027 10.835 -29.219 210 2HD1 LEU 28 2HD1 LEU 28 35.952 11.719 -30.433 211 3HD1 LEU 28 3HD1 LEU 28 36.718 10.428 -29.506 212 1HD2 LEU 28 1HD2 LEU 28 36.015 14.282 -27.920 213 2HD2 LEU 28 2HD2 LEU 28 36.520 14.024 -29.589 214 3HD2 LEU 28 3HD2 LEU 28 34.892 13.577 -29.082 215 H CYS 29 H CYS 29 39.050 10.120 -27.072 216 HA CYS 29 HA CYS 29 40.645 12.490 -26.367 217 1HB CYS 29 1HB CYS 29 41.171 9.592 -26.283 218 2HB CYS 29 2HB CYS 29 42.499 10.570 -26.892 219 H THR 30 H THR 30 42.194 13.290 -27.805 220 HA THR 30 HA THR 30 42.315 12.250 -30.510 221 HB THR 30 HB THR 30 41.320 15.063 -30.004 222 HG1 THR 30 HG1 THR 30 40.026 12.708 -30.337 223 1HG2 THR 30 1HG2 THR 30 42.026 13.587 -32.540 224 2HG2 THR 30 2HG2 THR 30 41.081 15.075 -32.509 225 3HG2 THR 30 3HG2 THR 30 42.746 15.075 -31.923 226 H CYS 31 H CYS 31 44.177 12.843 -31.587 227 HA CYS 31 HA CYS 31 46.073 14.426 -29.997 228 1HB CYS 31 1HB CYS 31 47.783 13.263 -31.550 229 2HB CYS 31 2HB CYS 31 47.038 12.324 -30.264 230 H LEU 32 H LEU 32 45.890 16.462 -30.654 231 HA LEU 32 HA LEU 32 45.438 17.171 -33.402 232 1HB LEU 32 1HB LEU 32 45.946 19.531 -32.352 233 2HB LEU 32 2HB LEU 32 44.424 18.712 -32.061 234 HG LEU 32 HG LEU 32 46.505 18.087 -30.088 235 1HD1 LEU 32 1HD1 LEU 32 45.904 20.864 -30.774 236 2HD1 LEU 32 2HD1 LEU 32 45.689 20.467 -29.069 237 3HD1 LEU 32 3HD1 LEU 32 47.243 20.179 -29.853 238 1HD2 LEU 32 1HD2 LEU 32 43.650 18.235 -30.312 239 2HD2 LEU 32 2HD2 LEU 32 44.634 17.477 -29.060 240 3HD2 LEU 32 3HD2 LEU 32 44.196 19.179 -28.926 241 H GLY 33 H GLY 33 47.755 19.038 -31.582 242 1HA GLY 33 1HA GLY 33 49.926 18.063 -33.312 243 2HA GLY 33 2HA GLY 33 49.573 19.781 -33.246 244 H ASN 34 H ASN 34 49.107 20.146 -30.562 245 HA ASN 34 HA ASN 34 51.744 20.290 -29.542 246 1HB ASN 34 2HB ASN 34 49.675 21.770 -29.001 247 2HB ASN 34 1HB ASN 34 50.829 21.426 -27.717 248 2HD2 ASN 34 1HD2 ASN 34 49.670 21.361 -25.922 249 1HD2 ASN 34 2HD2 ASN 34 48.257 20.400 -25.671 250 H GLY 35 H GLY 35 49.104 18.046 -29.150 251 1HA GLY 35 1HA GLY 35 50.726 15.934 -28.306 252 2HA GLY 35 2HA GLY 35 50.033 16.674 -26.871 253 H VAL 36 H VAL 36 48.119 15.945 -26.221 254 HA VAL 36 HA VAL 36 46.244 14.874 -28.187 255 HB VAL 36 HB VAL 36 47.503 13.295 -25.982 256 1HG1 VAL 36 1HG1 VAL 36 44.631 13.176 -26.773 257 2HG1 VAL 36 2HG1 VAL 36 45.480 11.676 -26.400 258 3HG1 VAL 36 3HG1 VAL 36 45.373 12.953 -25.189 259 1HG2 VAL 36 1HG2 VAL 36 47.894 13.189 -28.575 260 2HG2 VAL 36 2HG2 VAL 36 47.872 11.721 -27.596 261 3HG2 VAL 36 3HG2 VAL 36 46.446 12.184 -28.525 262 H SER 37 H SER 37 44.377 15.847 -27.873 263 HA SER 37 HA SER 37 43.693 16.800 -25.177 264 1HB SER 37 1HB SER 37 43.810 18.523 -26.964 265 2HB SER 37 2HB SER 37 42.541 17.669 -27.841 266 HG SER 37 HG SER 37 41.936 18.223 -25.216 267 H CYS 38 H CYS 38 41.640 16.398 -24.310 268 HA CYS 38 HA CYS 38 39.823 14.665 -25.777 269 1HB CYS 38 1HB CYS 38 40.628 13.737 -23.050 270 2HB CYS 38 2HB CYS 38 39.931 12.819 -24.377 271 H GLN 39 H GLN 39 38.119 13.905 -23.850 272 HA GLN 39 HA GLN 39 37.470 16.082 -22.080 273 1HB GLN 39 1HB GLN 39 36.149 15.769 -24.696 274 2HB GLN 39 2HB GLN 39 35.053 15.937 -23.332 275 1HG GLN 39 1HG GLN 39 36.603 17.957 -22.726 276 2HG GLN 39 2HG GLN 39 37.015 17.880 -24.439 277 2HE2 GLN 39 1HE2 GLN 39 34.983 17.618 -25.868 278 1HE2 GLN 39 2HE2 GLN 39 33.686 18.701 -25.508 279 H GLU 40 H GLU 40 36.988 15.008 -20.294 280 HA GLU 40 HA GLU 40 36.093 12.317 -20.262 281 1HB GLU 40 1HB GLU 40 36.742 14.396 -18.283 282 2HB GLU 40 2HB GLU 40 35.531 13.238 -17.753 283 1HG GLU 40 1HG GLU 40 37.353 11.550 -18.755 284 2HG GLU 40 2HG GLU 40 38.409 12.876 -18.269 285 H THR 41 H THR 41 34.191 12.274 -21.510 286 HA THR 41 HA THR 41 31.928 12.092 -21.713 287 HB THR 41 HB THR 41 32.188 12.800 -18.849 288 HG1 THR 41 HG1 THR 41 30.562 10.889 -20.192 289 1HG2 THR 41 1HG2 THR 41 29.577 13.120 -20.331 290 2HG2 THR 41 2HG2 THR 41 29.715 12.966 -18.580 291 3HG2 THR 41 3HG2 THR 41 30.428 14.356 -19.404 292 H ALA 42 H ALA 42 33.597 14.952 -21.414 293 HA ALA 42 HA ALA 42 33.141 17.154 -21.852 294 1HB ALA 42 1HB ALA 42 32.499 15.557 -24.030 295 2HB ALA 42 3HB ALA 42 32.776 17.299 -24.038 296 3HB ALA 42 2HB ALA 42 31.138 16.669 -23.875 297 H VAL 43 H VAL 43 32.109 17.686 -19.918 298 HA VAL 43 HA VAL 43 29.613 17.257 -19.014 299 HB VAL 43 HB VAL 43 29.630 19.574 -18.053 300 1HG1 VAL 43 1HG1 VAL 43 31.702 17.516 -17.714 301 2HG1 VAL 43 2HG1 VAL 43 32.079 19.093 -17.020 302 3HG1 VAL 43 3HG1 VAL 43 30.614 18.242 -16.530 303 1HG2 VAL 43 1HG2 VAL 43 31.828 19.826 -20.010 304 2HG2 VAL 43 2HG2 VAL 43 30.713 21.046 -19.391 305 3HG2 VAL 43 3HG2 VAL 43 32.104 20.551 -18.426 306 H THR 44 H THR 44 30.472 19.706 -21.441 307 HA THR 44 HA THR 44 29.210 20.533 -23.176 308 HB THR 44 HB THR 44 26.719 19.252 -22.093 309 HG1 THR 44 HG1 THR 44 27.537 17.340 -22.441 310 1HG2 THR 44 1HG2 THR 44 27.741 19.948 -24.845 311 2HG2 THR 44 2HG2 THR 44 26.279 19.005 -24.553 312 3HG2 THR 44 3HG2 THR 44 26.381 20.672 -23.986 313 H GLN 45 H GLN 45 27.505 22.173 -23.496 314 HA GLN 45 HA GLN 45 27.153 23.729 -21.039 315 1HB GLN 45 1HB GLN 45 27.006 24.526 -23.950 316 2HB GLN 45 2HB GLN 45 26.668 25.617 -22.612 317 1HG GLN 45 1HG GLN 45 29.196 24.328 -22.215 318 2HG GLN 45 2HG GLN 45 29.139 25.077 -23.809 319 2HE2 GLN 45 1HE2 GLN 45 29.914 27.048 -23.825 320 1HE2 GLN 45 2HE2 GLN 45 29.811 28.202 -22.544 321 H THR 46 H THR 46 25.209 24.004 -23.959 322 HA THR 46 HA THR 46 22.983 23.688 -24.361 323 HB THR 46 HB THR 46 21.797 22.031 -23.307 324 HG1 THR 46 HG1 THR 46 23.142 22.765 -20.903 325 1HG2 THR 46 1HG2 THR 46 24.416 21.466 -23.729 326 2HG2 THR 46 2HG2 THR 46 24.248 21.015 -22.033 327 3HG2 THR 46 3HG2 THR 46 23.210 20.271 -23.250 328 H TYR 47 H TYR 47 21.108 24.844 -23.960 329 HA TYR 47 HA TYR 47 21.033 26.447 -21.505 330 1HB TYR 47 1HB TYR 47 20.154 28.328 -23.132 331 2HB TYR 47 2HB TYR 47 21.878 28.103 -22.856 332 HD1 TYR 47 HD1 TYR 47 19.118 27.462 -25.227 333 HD2 TYR 47 HD2 TYR 47 23.332 27.452 -24.626 334 HE1 TYR 47 HE1 TYR 47 19.456 27.176 -27.645 335 HE2 TYR 47 HE2 TYR 47 23.677 27.171 -27.044 336 HH TYR 47 HH TYR 47 21.726 27.849 -29.279 337 H GLY 48 H GLY 48 19.312 25.137 -24.281 338 1HA GLY 48 1HA GLY 48 16.932 24.853 -22.667 339 2HA GLY 48 2HA GLY 48 16.769 25.989 -23.997 340 H GLY 49 H GLY 49 15.559 25.014 -25.493 341 1HA GLY 49 1HA GLY 49 15.474 23.578 -27.389 342 2HA GLY 49 2HA GLY 49 16.518 22.447 -26.541 343 H ASN 50 H ASN 50 15.513 20.624 -26.054 344 HA ASN 50 HA ASN 50 12.620 20.692 -25.561 345 1HB ASN 50 1HB ASN 50 14.329 18.906 -27.007 346 2HB ASN 50 2HB ASN 50 13.558 18.017 -25.697 347 2HD2 ASN 50 1HD2 ASN 50 12.704 20.460 -28.127 348 1HD2 ASN 50 2HD2 ASN 50 11.201 19.733 -28.574 349 H SER 51 H SER 51 15.549 20.501 -23.934 350 HA SER 51 HA SER 51 14.329 19.087 -21.660 351 1HB SER 51 1HB SER 51 16.807 18.703 -22.871 352 2HB SER 51 2HB SER 51 17.180 19.603 -21.401 353 HG SER 51 HG SER 51 15.707 17.183 -21.583 354 H ASN 52 H ASN 52 15.632 22.084 -22.745 355 HA ASN 52 HA ASN 52 15.283 24.169 -21.837 356 1HB ASN 52 1HB ASN 52 13.548 23.147 -20.347 357 2HB ASN 52 2HB ASN 52 14.832 22.801 -19.199 358 2HD2 ASN 52 1HD2 ASN 52 15.630 24.402 -17.930 359 1HD2 ASN 52 2HD2 ASN 52 14.997 26.009 -17.904 360 H GLY 53 H GLY 53 17.644 22.051 -21.501 361 1HA GLY 53 1HA GLY 53 19.883 23.097 -21.334 362 2HA GLY 53 2HA GLY 53 19.297 23.890 -19.881 363 H GLU 54 H GLU 54 17.948 20.943 -19.709 364 HA GLU 54 HA GLU 54 19.385 20.026 -17.556 365 1HB GLU 54 1HB GLU 54 17.771 18.539 -19.617 366 2HB GLU 54 2HB GLU 54 18.501 17.717 -18.246 367 1HG GLU 54 2HG GLU 54 16.420 18.130 -17.424 368 2HG GLU 54 1HG GLU 54 16.237 19.632 -18.327 369 HA PRO 55 HA PRO 55 23.180 18.325 -18.993 370 1HB PRO 55 1HB PRO 55 23.444 16.085 -17.484 371 2HB PRO 55 2HB PRO 55 23.624 17.713 -16.819 372 1HG PRO 55 2HG PRO 55 21.944 16.892 -15.436 373 2HG PRO 55 1HG PRO 55 21.262 15.876 -16.719 374 1HD PRO 55 1HD PRO 55 19.753 17.610 -16.861 375 2HD PRO 55 2HD PRO 55 20.910 18.796 -16.222 376 H CYS 56 H CYS 56 23.238 17.564 -21.034 377 HA CYS 56 HA CYS 56 21.547 15.616 -22.092 378 1HB CYS 56 1HB CYS 56 24.243 16.601 -23.023 379 2HB CYS 56 2HB CYS 56 23.260 15.470 -23.949 380 H VAL 57 H VAL 57 22.469 13.547 -23.178 381 HA VAL 57 HA VAL 57 24.092 12.099 -21.190 382 HB VAL 57 HB VAL 57 21.648 11.515 -21.160 383 1HG1 VAL 57 1HG1 VAL 57 22.077 11.326 -23.965 384 2HG1 VAL 57 2HG1 VAL 57 21.595 9.741 -23.362 385 3HG1 VAL 57 3HG1 VAL 57 20.575 11.147 -23.061 386 1HG2 VAL 57 1HG2 VAL 57 23.925 9.821 -21.143 387 2HG2 VAL 57 2HG2 VAL 57 22.398 9.616 -20.286 388 3HG2 VAL 57 3HG2 VAL 57 22.598 8.943 -21.905 389 H LEU 58 H LEU 58 25.735 12.955 -22.900 390 HA LEU 58 HA LEU 58 25.862 11.122 -25.187 391 1HB LEU 58 1HB LEU 58 27.979 12.775 -25.558 392 2HB LEU 58 2HB LEU 58 26.381 13.033 -26.229 393 HG LEU 58 HG LEU 58 27.321 15.068 -25.223 394 1HD1 LEU 58 1HD1 LEU 58 24.770 14.021 -24.904 395 2HD1 LEU 58 2HD1 LEU 58 25.188 14.692 -23.328 396 3HD1 LEU 58 3HD1 LEU 58 25.254 15.711 -24.766 397 1HD2 LEU 58 1HD2 LEU 58 27.831 13.249 -23.018 398 2HD2 LEU 58 2HD2 LEU 58 28.538 14.825 -23.371 399 3HD2 LEU 58 3HD2 LEU 58 27.006 14.720 -22.503 400 HA PRO 59 HA PRO 59 27.863 11.113 -26.665 401 1HB PRO 59 1HB PRO 59 28.819 8.782 -27.651 402 2HB PRO 59 2HB PRO 59 29.868 10.124 -27.181 403 1HG PRO 59 1HG PRO 59 29.189 7.630 -25.673 404 2HG PRO 59 2HG PRO 59 30.756 8.440 -25.847 405 1HD PRO 59 1HD PRO 59 29.189 8.696 -23.637 406 2HD PRO 59 2HD PRO 59 30.287 9.972 -24.199 407 H PHE 60 H PHE 60 25.993 10.806 -27.681 408 HA PHE 60 HA PHE 60 24.400 8.425 -26.996 409 1HB PHE 60 1HB PHE 60 22.486 9.868 -27.943 410 2HB PHE 60 2HB PHE 60 23.142 10.309 -26.369 411 HD1 PHE 60 HD1 PHE 60 23.166 11.163 -29.959 412 HD2 PHE 60 HD2 PHE 60 24.146 12.407 -26.010 413 HE1 PHE 60 HE1 PHE 60 23.609 13.436 -30.790 414 HE2 PHE 60 HE2 PHE 60 24.591 14.682 -26.832 415 HZ PHE 60 HZ PHE 60 24.322 15.199 -29.225 416 H THR 61 H THR 61 22.745 7.961 -28.883 417 HA THR 61 HA THR 61 24.273 7.945 -31.403 418 HB THR 61 HB THR 61 22.323 5.781 -31.123 419 HG1 THR 61 HG1 THR 61 23.356 4.673 -29.528 420 1HG2 THR 61 1HG2 THR 61 25.257 5.915 -31.832 421 2HG2 THR 61 2HG2 THR 61 24.262 4.462 -31.947 422 3HG2 THR 61 3HG2 THR 61 23.898 5.862 -32.957 423 H TYR 62 H TYR 62 23.313 9.025 -32.967 424 HA TYR 62 HA TYR 62 20.407 8.914 -33.230 425 1HB TYR 62 1HB TYR 62 20.602 10.960 -32.057 426 2HB TYR 62 2HB TYR 62 22.034 11.436 -32.963 427 HD1 TYR 62 HD1 TYR 62 18.404 10.720 -33.424 428 HD2 TYR 62 HD2 TYR 62 21.815 12.872 -34.778 429 HE1 TYR 62 HE1 TYR 62 16.985 11.969 -34.996 430 HE2 TYR 62 HE2 TYR 62 20.406 14.128 -36.353 431 HH TYR 62 HH TYR 62 17.821 14.754 -36.416 432 H ASN 63 H ASN 63 19.709 8.872 -35.305 433 HA ASN 63 HA ASN 63 19.750 8.841 -37.583 434 1HB ASN 63 1HB ASN 63 21.218 11.036 -37.017 435 2HB ASN 63 2HB ASN 63 22.437 10.062 -37.834 436 2HD2 ASN 63 1HD2 ASN 63 21.212 12.535 -38.696 437 1HD2 ASN 63 2HD2 ASN 63 20.452 12.205 -40.211 438 H GLY 64 H GLY 64 21.671 7.166 -35.606 439 1HA GLY 64 1HA GLY 64 22.315 4.930 -36.216 440 2HA GLY 64 2HA GLY 64 22.705 5.525 -37.821 441 H ARG 65 H ARG 65 23.925 7.883 -36.056 442 HA ARG 65 HA ARG 65 26.528 6.540 -35.777 443 1HB ARG 65 1HB ARG 65 27.581 8.673 -36.200 444 2HB ARG 65 2HB ARG 65 26.429 8.331 -37.484 445 1HG ARG 65 1HG ARG 65 24.908 9.752 -35.721 446 2HG ARG 65 2HG ARG 65 26.491 10.504 -35.544 447 1HD ARG 65 1HD ARG 65 24.912 11.445 -37.328 448 2HD ARG 65 2HD ARG 65 26.585 11.129 -37.788 449 HE ARG 65 HE ARG 65 24.811 8.933 -38.291 450 1HH1 ARG 65 1HH1 ARG 65 26.118 11.902 -39.554 451 2HH1 ARG 65 2HH1 ARG 65 25.833 11.477 -41.209 452 1HH2 ARG 65 1HH2 ARG 65 24.431 8.360 -40.465 453 2HH2 ARG 65 2HH2 ARG 65 24.873 9.462 -41.727 454 H THR 66 H THR 66 27.869 8.468 -34.336 455 HA THR 66 HA THR 66 26.367 8.654 -31.813 456 HB THR 66 HB THR 66 29.231 7.721 -32.088 457 HG1 THR 66 HG1 THR 66 28.192 5.815 -31.027 458 1HG2 THR 66 1HG2 THR 66 27.565 8.538 -29.748 459 2HG2 THR 66 2HG2 THR 66 28.740 7.237 -29.553 460 3HG2 THR 66 3HG2 THR 66 29.273 8.837 -30.071 461 H PHE 67 H PHE 67 27.148 10.267 -30.329 462 HA PHE 67 HA PHE 67 29.014 12.237 -31.397 463 1HB PHE 67 1HB PHE 67 26.366 13.196 -30.352 464 2HB PHE 67 2HB PHE 67 27.545 14.061 -31.333 465 HD1 PHE 67 HD1 PHE 67 25.011 11.372 -31.399 466 HD2 PHE 67 HD2 PHE 67 27.434 14.023 -33.680 467 HE1 PHE 67 HE1 PHE 67 23.749 10.777 -33.423 468 HE2 PHE 67 HE2 PHE 67 26.176 13.433 -35.709 469 HZ PHE 67 HZ PHE 67 24.332 11.805 -35.582 470 H TYR 68 H TYR 68 30.452 12.482 -29.831 471 HA TYR 68 HA TYR 68 29.725 12.062 -27.054 472 1HB TYR 68 1HB TYR 68 32.411 12.791 -28.246 473 2HB TYR 68 2HB TYR 68 32.117 12.184 -26.621 474 HD1 TYR 68 HD1 TYR 68 31.798 11.250 -30.207 475 HD2 TYR 68 HD2 TYR 68 32.167 9.897 -26.191 476 HE1 TYR 68 HE1 TYR 68 32.078 8.946 -31.016 477 HE2 TYR 68 HE2 TYR 68 32.453 7.591 -26.988 478 HH TYR 68 HH TYR 68 32.080 6.761 -30.389 479 H SER 69 H SER 69 28.902 14.480 -28.724 480 HA SER 69 HA SER 69 29.078 16.392 -26.639 481 1HB SER 69 1HB SER 69 30.576 17.210 -29.124 482 2HB SER 69 2HB SER 69 30.523 18.024 -27.562 483 HG SER 69 HG SER 69 31.631 16.158 -26.709 484 H CYS 70 H CYS 70 28.756 18.731 -28.153 485 HA CYS 70 HA CYS 70 26.027 18.494 -28.896 486 1HB CYS 70 2HB CYS 70 26.035 20.799 -29.083 487 2HB CYS 70 1HB CYS 70 27.679 20.853 -29.705 488 H THR 71 H THR 71 25.088 18.933 -30.977 489 HA THR 71 HA THR 71 26.801 18.841 -33.313 490 HB THR 71 HB THR 71 26.521 16.441 -32.647 491 HG1 THR 71 HG1 THR 71 26.307 15.856 -34.745 492 1HG2 THR 71 1HG2 THR 71 23.701 17.255 -32.713 493 2HG2 THR 71 2HG2 THR 71 24.043 15.749 -33.568 494 3HG2 THR 71 3HG2 THR 71 24.474 15.916 -31.864 495 H THR 72 H THR 72 25.367 18.658 -35.350 496 HA THR 72 HA THR 72 22.777 19.979 -34.959 497 HB THR 72 HB THR 72 23.255 21.553 -36.803 498 HG1 THR 72 HG1 THR 72 25.063 20.114 -37.597 499 1HG2 THR 72 1HG2 THR 72 23.783 21.970 -34.284 500 2HG2 THR 72 2HG2 THR 72 25.462 21.924 -34.818 501 3HG2 THR 72 3HG2 THR 72 24.354 23.118 -35.495 502 H GLU 73 H GLU 73 23.593 17.266 -35.671 503 HA GLU 73 HA GLU 73 23.071 16.964 -38.496 504 1HB GLU 73 1HB GLU 73 23.414 14.928 -36.293 505 2HB GLU 73 2HB GLU 73 23.271 14.542 -38.004 506 1HG GLU 73 1HG GLU 73 25.511 15.904 -36.564 507 2HG GLU 73 2HG GLU 73 25.558 14.469 -37.587 508 H GLY 74 H GLY 74 21.050 17.863 -36.251 509 1HA GLY 74 1HA GLY 74 18.811 16.409 -37.459 510 2HA GLY 74 2HA GLY 74 18.965 16.360 -35.709 511 H ARG 75 H ARG 75 19.984 19.187 -37.376 512 HA ARG 75 HA ARG 75 17.726 20.661 -36.235 513 1HB ARG 75 1HB ARG 75 20.494 21.482 -37.100 514 2HB ARG 75 2HB ARG 75 19.250 22.632 -36.663 515 1HG ARG 75 1HG ARG 75 20.678 20.670 -34.938 516 2HG ARG 75 2HG ARG 75 20.483 22.410 -34.724 517 1HD ARG 75 2HD ARG 75 19.046 21.479 -33.137 518 2HD ARG 75 1HD ARG 75 18.501 20.215 -34.239 519 HE ARG 75 HE ARG 75 17.795 22.754 -35.253 520 1HH1 ARG 75 1HH1 ARG 75 16.954 20.490 -32.746 521 2HH1 ARG 75 2HH1 ARG 75 15.301 21.004 -32.655 522 1HH2 ARG 75 1HH2 ARG 75 15.623 23.440 -35.143 523 2HH2 ARG 75 2HH2 ARG 75 14.544 22.682 -34.019 524 H GLN 76 H GLN 76 17.228 22.728 -37.531 525 HA GLN 76 HA GLN 76 16.922 21.986 -40.364 526 1HB GLN 76 1HB GLN 76 15.197 23.802 -38.667 527 2HB GLN 76 2HB GLN 76 14.947 23.472 -40.375 528 1HG GLN 76 1HG GLN 76 14.962 20.964 -39.437 529 2HG GLN 76 2HG GLN 76 14.357 21.811 -38.014 530 2HE2 GLN 76 1HE2 GLN 76 13.108 19.945 -40.004 531 1HE2 GLN 76 2HE2 GLN 76 11.679 20.763 -40.528 532 H ASP 77 H ASP 77 18.896 23.709 -38.549 533 HA ASP 77 HA ASP 77 19.384 25.667 -40.643 534 1HB ASP 77 1HB ASP 77 17.899 26.806 -39.009 535 2HB ASP 77 2HB ASP 77 19.088 26.490 -37.750 536 H GLY 78 H GLY 78 20.463 25.022 -37.311 537 1HA GLY 78 1HA GLY 78 22.777 23.692 -37.693 538 2HA GLY 78 2HA GLY 78 23.226 25.337 -38.106 539 H HIS 79 H HIS 79 21.098 24.056 -35.571 540 HA HIS 79 HA HIS 79 22.656 25.596 -33.616 541 1HB HIS 79 2HB HIS 79 20.754 25.863 -32.354 542 2HB HIS 79 1HB HIS 79 20.048 24.345 -32.895 543 HD1 HIS 79 HD1 HIS 79 17.853 25.080 -33.815 544 HD2 HIS 79 HD2 HIS 79 21.008 27.383 -35.234 545 HE1 HIS 79 HE1 HIS 79 16.854 26.580 -35.568 546 HE2 HIS 79 HE2 HIS 79 18.760 28.039 -36.333 547 H LEU 80 H LEU 80 24.027 24.532 -32.362 548 HA LEU 80 HA LEU 80 24.362 21.767 -32.347 549 1HB LEU 80 1HB LEU 80 25.224 23.932 -30.446 550 2HB LEU 80 2HB LEU 80 25.638 22.254 -30.168 551 HG LEU 80 HG LEU 80 26.911 22.164 -32.219 552 1HD1 LEU 80 1HD1 LEU 80 25.905 24.971 -32.646 553 2HD1 LEU 80 2HD1 LEU 80 27.230 24.246 -33.556 554 3HD1 LEU 80 3HD1 LEU 80 25.610 23.556 -33.657 555 1HD2 LEU 80 1HD2 LEU 80 27.959 23.076 -30.148 556 2HD2 LEU 80 2HD2 LEU 80 28.707 23.637 -31.643 557 3HD2 LEU 80 3HD2 LEU 80 27.619 24.699 -30.749 558 H TRP 81 H TRP 81 23.587 20.127 -31.088 559 HA TRP 81 HA TRP 81 22.064 20.664 -28.693 560 1HB TRP 81 2HB TRP 81 20.429 21.052 -30.546 561 2HB TRP 81 1HB TRP 81 19.969 19.743 -29.460 562 HD1 TRP 81 HD1 TRP 81 20.812 20.460 -33.068 563 HE1 TRP 81 HE1 TRP 81 20.536 18.311 -34.455 564 HE3 TRP 81 HE3 TRP 81 20.201 17.104 -29.258 565 HZ2 TRP 81 HZ2 TRP 81 20.118 15.554 -33.996 566 HZ3 TRP 81 HZ3 TRP 81 19.870 14.732 -29.817 567 HH2 TRP 81 HH2 TRP 81 19.827 13.975 -32.137 568 H CYS 82 H CYS 82 21.419 18.718 -27.572 569 HA CYS 82 HA CYS 82 22.597 16.224 -28.534 570 1HB CYS 82 1HB CYS 82 23.403 15.913 -26.054 571 2HB CYS 82 2HB CYS 82 24.404 16.789 -27.205 572 H SER 83 H SER 83 22.138 14.561 -26.486 573 HA SER 83 HA SER 83 19.226 14.776 -26.108 574 1HB SER 83 1HB SER 83 19.067 12.445 -26.212 575 2HB SER 83 2HB SER 83 20.325 12.797 -27.397 576 HG SER 83 HG SER 83 21.854 12.356 -25.687 577 H THR 84 H THR 84 18.338 13.920 -24.086 578 HA THR 84 HA THR 84 20.173 14.406 -21.835 579 HB THR 84 HB THR 84 18.447 15.309 -20.584 580 HG1 THR 84 HG1 THR 84 16.719 14.069 -20.576 581 1HG2 THR 84 1HG2 THR 84 18.708 16.224 -23.240 582 2HG2 THR 84 2HG2 THR 84 16.991 16.295 -22.844 583 3HG2 THR 84 3HG2 THR 84 18.167 17.132 -21.828 584 H THR 85 H THR 85 18.417 12.020 -23.422 585 HA THR 85 HA THR 85 18.753 10.214 -21.131 586 HB THR 85 HB THR 85 16.259 10.852 -22.558 587 HG1 THR 85 HG1 THR 85 15.969 11.058 -20.464 588 1HG2 THR 85 1HG2 THR 85 16.981 7.966 -22.028 589 2HG2 THR 85 2HG2 THR 85 15.343 8.550 -22.329 590 3HG2 THR 85 3HG2 THR 85 16.573 8.688 -23.585 591 H SER 86 H SER 86 18.873 7.923 -21.770 592 HA SER 86 HA SER 86 20.775 7.448 -23.721 593 1HB SER 86 1HB SER 86 19.030 5.148 -23.292 594 2HB SER 86 2HB SER 86 20.737 5.354 -22.899 595 HG SER 86 HG SER 86 18.630 5.427 -21.262 596 H ASN 87 H ASN 87 17.255 6.955 -23.934 597 HA ASN 87 HA ASN 87 17.536 6.558 -26.831 598 1HB ASN 87 1HB ASN 87 15.945 5.286 -24.864 599 2HB ASN 87 2HB ASN 87 14.847 6.178 -25.910 600 2HD2 ASN 87 1HD2 ASN 87 14.636 5.594 -28.045 601 1HD2 ASN 87 2HD2 ASN 87 15.258 4.111 -28.674 602 H TYR 88 H TYR 88 17.399 8.415 -27.925 603 HA TYR 88 HA TYR 88 15.555 10.489 -26.994 604 1HB TYR 88 1HB TYR 88 17.537 11.580 -27.414 605 2HB TYR 88 2HB TYR 88 18.001 10.467 -28.696 606 HD1 TYR 88 HD1 TYR 88 17.216 10.800 -30.979 607 HD2 TYR 88 HD2 TYR 88 16.159 13.519 -27.883 608 HE1 TYR 88 HE1 TYR 88 16.491 12.432 -32.668 609 HE2 TYR 88 HE2 TYR 88 15.431 15.157 -29.564 610 HH TYR 88 HH TYR 88 14.872 14.400 -32.751 611 H GLU 89 H GLU 89 15.865 8.051 -29.350 612 HA GLU 89 HA GLU 89 14.220 9.236 -31.364 613 1HB GLU 89 1HB GLU 89 15.291 6.480 -30.858 614 2HB GLU 89 2HB GLU 89 14.081 6.745 -32.107 615 1HG GLU 89 1HG GLU 89 16.247 8.652 -32.288 616 2HG GLU 89 2HG GLU 89 16.824 6.988 -32.368 617 H GLN 90 H GLN 90 13.529 8.006 -28.328 618 HA GLN 90 HA GLN 90 10.726 7.558 -29.116 619 1HB GLN 90 2HB GLN 90 12.191 5.508 -28.362 620 2HB GLN 90 1HB GLN 90 10.520 5.662 -27.841 621 1HG GLN 90 1HG GLN 90 13.005 6.253 -26.263 622 2HG GLN 90 2HG GLN 90 11.395 6.747 -25.746 623 2HE2 GLN 90 1HE2 GLN 90 12.927 3.825 -27.061 624 1HE2 GLN 90 2HE2 GLN 90 12.232 2.737 -25.913 625 H ASP 91 H ASP 91 12.972 8.783 -26.727 626 HA ASP 91 HA ASP 91 10.896 9.667 -24.937 627 1HB ASP 91 1HB ASP 91 13.877 10.115 -25.000 628 2HB ASP 91 2HB ASP 91 12.827 10.809 -23.767 629 H GLN 92 H GLN 92 12.970 11.132 -27.383 630 HA GLN 92 HA GLN 92 12.877 13.139 -28.451 631 1HB GLN 92 1HB GLN 92 10.070 12.851 -27.446 632 2HB GLN 92 2HB GLN 92 10.571 14.362 -28.192 633 1HG GLN 92 1HG GLN 92 11.065 11.773 -29.589 634 2HG GLN 92 2HG GLN 92 9.466 12.512 -29.629 635 2HE2 GLN 92 1HE2 GLN 92 12.087 12.163 -31.410 636 1HE2 GLN 92 2HE2 GLN 92 12.120 13.666 -32.261 637 H LYS 93 H LYS 93 14.247 13.231 -26.175 638 HA LYS 93 HA LYS 93 13.555 15.860 -25.079 639 1HB LYS 93 1HB LYS 93 14.213 15.221 -22.859 640 2HB LYS 93 2HB LYS 93 13.006 14.083 -23.430 641 1HG LYS 93 1HG LYS 93 15.973 13.606 -23.228 642 2HG LYS 93 2HG LYS 93 14.716 12.924 -22.210 643 1HD LYS 93 2HD LYS 93 13.903 12.215 -24.738 644 2HD LYS 93 1HD LYS 93 14.752 11.182 -23.591 645 1HE LYS 93 1HE LYS 93 15.647 12.120 -26.129 646 2HE LYS 93 2HE LYS 93 16.693 12.789 -24.879 647 1HZ LYS 93 1HZ LYS 93 15.998 9.929 -24.865 648 2HZ LYS 93 2HZ LYS 93 17.241 10.500 -25.862 649 3HZ LYS 93 3HZ LYS 93 17.337 10.703 -24.188 650 H TYR 94 H TYR 94 15.011 16.675 -26.664 651 HA TYR 94 HA TYR 94 17.846 16.099 -26.147 652 1HB TYR 94 1HB TYR 94 18.329 16.690 -28.350 653 2HB TYR 94 2HB TYR 94 16.772 15.884 -28.499 654 HD1 TYR 94 HD1 TYR 94 18.283 19.274 -28.153 655 HD2 TYR 94 HD2 TYR 94 15.009 16.961 -29.580 656 HE1 TYR 94 HE1 TYR 94 17.365 21.267 -29.264 657 HE2 TYR 94 HE2 TYR 94 14.085 18.946 -30.695 658 HH TYR 94 HH TYR 94 14.931 22.002 -30.010 659 H SER 95 H SER 95 19.350 17.827 -26.036 660 HA SER 95 HA SER 95 18.157 20.372 -25.152 661 1HB SER 95 2HB SER 95 19.536 20.413 -23.358 662 2HB SER 95 1HB SER 95 20.917 19.845 -24.296 663 HG SER 95 HG SER 95 19.118 18.432 -22.767 664 H PHE 96 H PHE 96 19.659 22.272 -25.429 665 HA PHE 96 HA PHE 96 20.770 22.157 -28.125 666 1HB PHE 96 1HB PHE 96 19.741 24.335 -26.363 667 2HB PHE 96 2HB PHE 96 20.925 24.751 -27.600 668 HD1 PHE 96 HD1 PHE 96 20.235 23.119 -29.850 669 HD2 PHE 96 HD2 PHE 96 17.671 25.055 -27.059 670 HE1 PHE 96 HE1 PHE 96 18.446 23.175 -31.538 671 HE2 PHE 96 HE2 PHE 96 15.876 25.113 -28.741 672 HZ PHE 96 HZ PHE 96 16.263 24.171 -30.984 673 H CYS 97 H CYS 97 22.613 24.063 -28.229 674 HA CYS 97 HA CYS 97 24.526 23.853 -26.087 675 1HB CYS 97 1HB CYS 97 24.619 21.998 -28.285 676 2HB CYS 97 2HB CYS 97 26.044 23.031 -28.318 677 H THR 98 H THR 98 25.567 25.728 -25.973 678 HA THR 98 HA THR 98 25.220 27.746 -27.934 679 HB THR 98 HB THR 98 25.475 28.639 -25.814 680 HG1 THR 98 HG1 THR 98 27.139 29.980 -26.101 681 1HG2 THR 98 1HG2 THR 98 27.514 26.501 -25.464 682 2HG2 THR 98 2HG2 THR 98 27.660 27.960 -24.484 683 3HG2 THR 98 3HG2 THR 98 26.191 26.987 -24.404 684 H ASP 99 H ASP 99 27.361 29.051 -28.524 685 HA ASP 99 HA ASP 99 28.625 27.690 -30.563 686 1HB ASP 99 1HB ASP 99 29.006 30.239 -29.171 687 2HB ASP 99 2HB ASP 99 30.492 29.589 -29.860 688 H HIS 100 H HIS 100 29.931 28.381 -27.322 689 HA HIS 100 HA HIS 100 31.417 27.224 -26.037 690 1HB HIS 100 1HB HIS 100 30.197 25.217 -27.236 691 2HB HIS 100 2HB HIS 100 31.731 25.074 -28.088 692 HD1 HIS 100 HD1 HIS 100 31.321 25.933 -24.428 693 HD2 HIS 100 HD2 HIS 100 32.722 22.851 -26.836 694 HE1 HIS 100 HE1 HIS 100 32.426 24.306 -22.862 695 HE2 HIS 100 HE2 HIS 100 33.350 22.497 -24.352 696 H THR 101 H THR 101 32.268 26.715 -29.449 697 HA THR 101 HA THR 101 34.757 28.185 -29.015 698 HB THR 101 HB THR 101 35.854 26.315 -30.503 699 HG1 THR 101 HG1 THR 101 33.724 24.949 -29.187 700 1HG2 THR 101 1HG2 THR 101 36.442 27.010 -28.149 701 2HG2 THR 101 2HG2 THR 101 35.363 25.733 -27.587 702 3HG2 THR 101 3HG2 THR 101 36.784 25.327 -28.547 No H/Q in entry = 702 Start of MODEL 48 1 H1 TYR 1 H1 TYR 1 54.444 10.155 -39.329 2 H2 TYR 1 H2 TYR 1 53.990 11.770 -39.108 3 H3 TYR 1 H3 TYR 1 53.485 10.592 -38.003 4 HA TYR 1 HA TYR 1 51.609 10.966 -39.289 5 1HB TYR 1 1HB TYR 1 51.638 11.404 -41.603 6 2HB TYR 1 2HB TYR 1 53.067 12.230 -40.993 7 HD1 TYR 1 HD1 TYR 1 55.276 10.754 -41.040 8 HD2 TYR 1 HD2 TYR 1 51.861 10.094 -43.490 9 HE1 TYR 1 HE1 TYR 1 56.675 9.530 -42.650 10 HE2 TYR 1 HE2 TYR 1 53.251 8.867 -45.106 11 HH TYR 1 HH TYR 1 55.926 7.527 -44.591 12 H GLY 2 H GLY 2 52.368 8.704 -38.076 13 1HA GLY 2 1HA GLY 2 51.820 6.609 -40.088 14 2HA GLY 2 2HA GLY 2 52.890 6.351 -38.718 15 H HIS 3 H HIS 3 51.247 4.485 -38.632 16 HA HIS 3 HA HIS 3 48.612 4.898 -37.783 17 1HB HIS 3 1HB HIS 3 50.548 2.639 -37.657 18 2HB HIS 3 2HB HIS 3 49.126 2.547 -36.625 19 HD1 HIS 3 HD1 HIS 3 49.877 3.199 -40.302 20 HD2 HIS 3 HD2 HIS 3 47.008 1.428 -37.873 21 HE1 HIS 3 HE1 HIS 3 48.207 2.170 -41.875 22 HE2 HIS 3 HE2 HIS 3 46.535 1.018 -40.383 23 H CYS 4 H CYS 4 47.690 4.545 -35.650 24 HA CYS 4 HA CYS 4 49.464 5.538 -33.515 25 1HB CYS 4 1HB CYS 4 46.935 6.059 -32.604 26 2HB CYS 4 2HB CYS 4 47.960 7.214 -33.444 27 H VAL 5 H VAL 5 49.160 4.706 -31.387 28 HA VAL 5 HA VAL 5 47.473 2.352 -31.083 29 HB VAL 5 HB VAL 5 50.294 1.987 -30.211 30 1HG1 VAL 5 1HG1 VAL 5 47.918 0.427 -30.448 31 2HG1 VAL 5 2HG1 VAL 5 49.178 -0.290 -31.452 32 3HG1 VAL 5 3HG1 VAL 5 49.468 -0.016 -29.734 33 1HG2 VAL 5 1HG2 VAL 5 49.367 1.686 -33.063 34 2HG2 VAL 5 2HG2 VAL 5 50.649 2.738 -32.462 35 3HG2 VAL 5 3HG2 VAL 5 50.853 0.988 -32.420 36 H THR 6 H THR 6 46.693 2.156 -29.066 37 HA THR 6 HA THR 6 47.096 4.213 -27.173 38 HB THR 6 HB THR 6 45.640 2.979 -25.705 39 HG1 THR 6 HG1 THR 6 45.750 0.873 -25.694 40 1HG2 THR 6 1HG2 THR 6 44.979 3.086 -28.601 41 2HG2 THR 6 2HG2 THR 6 43.871 2.218 -27.539 42 3HG2 THR 6 3HG2 THR 6 44.230 3.917 -27.238 43 H ASP 7 H ASP 7 48.430 0.984 -27.525 44 HA ASP 7 HA ASP 7 50.758 1.499 -26.107 45 1HB ASP 7 1HB ASP 7 49.186 1.650 -24.165 46 2HB ASP 7 2HB ASP 7 48.774 -0.042 -24.428 47 H SER 8 H SER 8 48.349 -1.067 -26.563 48 HA SER 8 HA SER 8 49.848 -2.578 -28.347 49 1HB SER 8 1HB SER 8 51.353 -2.836 -26.339 50 2HB SER 8 2HB SER 8 50.043 -3.715 -25.552 51 HG SER 8 HG SER 8 51.852 -4.690 -27.174 52 H GLY 9 H GLY 9 47.405 -2.176 -28.740 53 1HA GLY 9 1HA GLY 9 46.101 -4.662 -28.700 54 2HA GLY 9 2HA GLY 9 45.457 -3.687 -27.388 55 H VAL 10 H VAL 10 45.548 -1.172 -28.596 56 HA VAL 10 HA VAL 10 43.466 -1.491 -30.651 57 HB VAL 10 HB VAL 10 43.913 1.094 -29.218 58 1HG1 VAL 10 1HG1 VAL 10 42.325 0.866 -31.124 59 2HG1 VAL 10 2HG1 VAL 10 41.388 -0.263 -30.147 60 3HG1 VAL 10 3HG1 VAL 10 41.573 1.412 -29.625 61 1HG2 VAL 10 1HG2 VAL 10 43.205 -1.395 -27.932 62 2HG2 VAL 10 2HG2 VAL 10 43.533 0.185 -27.220 63 3HG2 VAL 10 3HG2 VAL 10 41.910 -0.207 -27.790 64 H VAL 11 H VAL 11 44.816 -1.624 -32.449 65 HA VAL 11 HA VAL 11 46.796 0.422 -32.945 66 HB VAL 11 HB VAL 11 45.808 -1.797 -34.741 67 1HG1 VAL 11 1HG1 VAL 11 48.026 0.208 -35.025 68 2HG1 VAL 11 2HG1 VAL 11 48.043 -1.332 -35.885 69 3HG1 VAL 11 3HG1 VAL 11 46.737 -0.182 -36.165 70 1HG2 VAL 11 1HG2 VAL 11 48.078 -1.595 -32.789 71 2HG2 VAL 11 2HG2 VAL 11 46.852 -2.855 -32.938 72 3HG2 VAL 11 3HG2 VAL 11 48.129 -2.721 -34.147 73 H TYR 12 H TYR 12 46.057 2.383 -33.434 74 HA TYR 12 HA TYR 12 43.742 2.671 -35.203 75 1HB TYR 12 1HB TYR 12 45.220 4.611 -33.423 76 2HB TYR 12 2HB TYR 12 43.992 5.128 -34.570 77 HD1 TYR 12 HD1 TYR 12 41.655 4.077 -34.334 78 HD2 TYR 12 HD2 TYR 12 44.620 3.927 -31.288 79 HE1 TYR 12 HE1 TYR 12 39.905 3.625 -32.664 80 HE2 TYR 12 HE2 TYR 12 42.879 3.472 -29.608 81 HH TYR 12 HH TYR 12 40.026 2.354 -30.170 82 H SER 13 H SER 13 44.193 5.046 -36.414 83 HA SER 13 HA SER 13 46.726 4.760 -37.869 84 1HB SER 13 1HB SER 13 43.951 4.763 -38.998 85 2HB SER 13 2HB SER 13 45.273 5.446 -39.944 86 HG SER 13 HG SER 13 45.607 3.447 -40.496 87 H VAL 14 H VAL 14 47.565 6.674 -38.741 88 HA VAL 14 HA VAL 14 47.374 8.969 -37.294 89 HB VAL 14 HB VAL 14 49.164 8.772 -38.838 90 1HG1 VAL 14 1HG1 VAL 14 47.540 7.519 -40.504 91 2HG1 VAL 14 2HG1 VAL 14 47.462 9.115 -41.250 92 3HG1 VAL 14 3HG1 VAL 14 49.017 8.302 -41.068 93 1HG2 VAL 14 1HG2 VAL 14 47.829 11.077 -38.505 94 2HG2 VAL 14 2HG2 VAL 14 49.313 10.945 -39.450 95 3HG2 VAL 14 3HG2 VAL 14 47.746 10.937 -40.262 96 H GLY 15 H GLY 15 45.202 9.416 -36.779 97 1HA GLY 15 1HA GLY 15 43.718 11.305 -37.327 98 2HA GLY 15 2HA GLY 15 43.700 10.701 -38.976 99 H MET 16 H MET 16 43.647 8.145 -36.805 100 HA MET 16 HA MET 16 40.785 7.773 -37.278 101 1HB MET 16 1HB MET 16 42.976 6.046 -37.404 102 2HB MET 16 2HB MET 16 42.120 5.570 -35.942 103 1HG MET 16 1HG MET 16 40.406 6.005 -38.278 104 2HG MET 16 2HG MET 16 41.557 4.678 -38.438 105 1HE MET 16 1HE MET 16 41.405 2.539 -37.524 106 2HE MET 16 2HE MET 16 41.746 2.977 -35.851 107 3HE MET 16 3HE MET 16 40.357 1.959 -36.230 108 H GLN 17 H GLN 17 41.234 9.710 -35.451 109 HA GLN 17 HA GLN 17 41.617 9.275 -32.831 110 1HB GLN 17 1HB GLN 17 39.440 10.807 -32.568 111 2HB GLN 17 2HB GLN 17 40.981 11.431 -33.131 112 1HG GLN 17 1HG GLN 17 40.063 12.070 -35.031 113 2HG GLN 17 2HG GLN 17 39.531 10.423 -35.363 114 2HE2 GLN 17 1HE2 GLN 17 38.410 13.371 -35.373 115 1HE2 GLN 17 2HE2 GLN 17 36.800 13.141 -34.792 116 H TRP 18 H TRP 18 40.038 9.043 -31.033 117 HA TRP 18 HA TRP 18 37.708 7.409 -31.515 118 1HB TRP 18 1HB TRP 18 38.509 5.526 -30.118 119 2HB TRP 18 2HB TRP 18 39.472 5.719 -31.578 120 HD1 TRP 18 HD1 TRP 18 39.761 5.659 -27.834 121 HE1 TRP 18 HE1 TRP 18 42.209 6.048 -27.152 122 HE3 TRP 18 HE3 TRP 18 41.656 7.077 -32.369 123 HZ2 TRP 18 HZ2 TRP 18 44.624 6.858 -28.370 124 HZ3 TRP 18 HZ3 TRP 18 44.044 7.641 -32.523 125 HH2 TRP 18 HH2 TRP 18 45.495 7.532 -30.566 126 H LEU 19 H LEU 19 37.497 6.390 -28.878 127 HA LEU 19 HA LEU 19 37.666 8.739 -27.150 128 1HB LEU 19 1HB LEU 19 35.460 8.874 -28.139 129 2HB LEU 19 2HB LEU 19 35.128 7.207 -27.709 130 HG LEU 19 HG LEU 19 35.613 8.161 -25.259 131 1HD1 LEU 19 1HD1 LEU 19 35.919 10.462 -26.527 132 2HD1 LEU 19 2HD1 LEU 19 34.162 10.501 -26.368 133 3HD1 LEU 19 3HD1 LEU 19 35.176 10.371 -24.930 134 1HD2 LEU 19 1HD2 LEU 19 33.553 7.037 -26.270 135 2HD2 LEU 19 2HD2 LEU 19 33.300 8.121 -24.903 136 3HD2 LEU 19 3HD2 LEU 19 32.948 8.672 -26.542 137 H LYS 20 H LYS 20 38.805 8.049 -25.483 138 HA LYS 20 HA LYS 20 38.829 5.278 -24.701 139 1HB LYS 20 1HB LYS 20 40.785 6.960 -24.646 140 2HB LYS 20 2HB LYS 20 40.075 7.519 -23.137 141 1HG LYS 20 1HG LYS 20 41.888 5.880 -22.820 142 2HG LYS 20 2HG LYS 20 40.346 5.353 -22.141 143 1HD LYS 20 1HD LYS 20 40.699 4.527 -24.909 144 2HD LYS 20 2HD LYS 20 41.958 3.897 -23.844 145 1HE LYS 20 1HE LYS 20 39.638 3.531 -22.394 146 2HE LYS 20 2HE LYS 20 39.149 3.171 -24.050 147 1HZ LYS 20 1HZ LYS 20 41.591 1.989 -22.883 148 2HZ LYS 20 2HZ LYS 20 40.074 1.278 -22.645 149 3HZ LYS 20 3HZ LYS 20 40.689 1.455 -24.211 150 H THR 21 H THR 21 37.988 4.355 -22.889 151 HA THR 21 HA THR 21 36.912 5.722 -20.686 152 HB THR 21 HB THR 21 35.186 6.494 -22.138 153 HG1 THR 21 HG1 THR 21 34.037 6.043 -20.405 154 1HG2 THR 21 1HG2 THR 21 35.632 4.304 -23.650 155 2HG2 THR 21 2HG2 THR 21 34.138 3.831 -22.839 156 3HG2 THR 21 3HG2 THR 21 34.194 5.314 -23.791 157 H GLN 22 H GLN 22 35.360 4.241 -19.424 158 HA GLN 22 HA GLN 22 36.087 1.420 -19.823 159 1HB GLN 22 1HB GLN 22 36.361 3.077 -17.331 160 2HB GLN 22 2HB GLN 22 36.164 1.332 -17.239 161 1HG GLN 22 1HG GLN 22 38.155 1.391 -18.982 162 2HG GLN 22 2HG GLN 22 38.459 2.940 -18.196 163 2HE2 GLN 22 1HE2 GLN 22 40.234 2.488 -17.040 164 1HE2 GLN 22 2HE2 GLN 22 40.331 1.271 -15.818 165 H GLY 23 H GLY 23 33.877 3.769 -18.416 166 1HA GLY 23 1HA GLY 23 31.896 1.635 -18.004 167 2HA GLY 23 2HA GLY 23 31.848 3.221 -17.253 168 H ASN 24 H ASN 24 32.338 4.758 -19.588 169 HA ASN 24 HA ASN 24 30.677 4.163 -21.749 170 1HB ASN 24 1HB ASN 24 29.041 4.437 -19.682 171 2HB ASN 24 2HB ASN 24 29.241 6.149 -20.044 172 2HD2 ASN 24 1HD2 ASN 24 27.286 3.637 -20.544 173 1HD2 ASN 24 2HD2 ASN 24 26.612 4.058 -22.078 174 H LYS 25 H LYS 25 32.065 6.598 -19.654 175 HA LYS 25 HA LYS 25 32.970 8.079 -21.977 176 1HB LYS 25 1HB LYS 25 32.163 10.252 -20.877 177 2HB LYS 25 2HB LYS 25 30.965 9.271 -21.711 178 1HG LYS 25 1HG LYS 25 29.783 9.614 -19.832 179 2HG LYS 25 2HG LYS 25 30.742 8.258 -19.232 180 1HD LYS 25 1HD LYS 25 31.528 9.575 -17.623 181 2HD LYS 25 2HD LYS 25 32.298 10.575 -18.856 182 1HE LYS 25 1HE LYS 25 29.654 11.370 -18.929 183 2HE LYS 25 2HE LYS 25 29.959 11.107 -17.212 184 1HZ LYS 25 1HZ LYS 25 32.120 12.500 -18.400 185 2HZ LYS 25 2HZ LYS 25 30.670 13.309 -18.718 186 3HZ LYS 25 3HZ LYS 25 31.121 12.976 -17.122 187 H GLN 26 H GLN 26 34.775 9.382 -21.562 188 HA GLN 26 HA GLN 26 35.747 9.759 -18.888 189 1HB GLN 26 1HB GLN 26 36.695 7.693 -18.821 190 2HB GLN 26 2HB GLN 26 36.706 7.532 -20.570 191 1HG GLN 26 1HG GLN 26 38.757 8.525 -20.791 192 2HG GLN 26 2HG GLN 26 38.601 9.433 -19.288 193 2HE2 GLN 26 1HE2 GLN 26 40.684 7.570 -20.390 194 1HE2 GLN 26 2HE2 GLN 26 40.948 6.421 -19.127 195 H MET 27 H MET 27 36.941 9.505 -22.222 196 HA MET 27 HA MET 27 37.381 12.281 -22.541 197 1HB MET 27 1HB MET 27 39.661 10.596 -21.590 198 2HB MET 27 2HB MET 27 39.977 11.915 -22.709 199 1HG MET 27 1HG MET 27 38.448 13.175 -20.888 200 2HG MET 27 2HG MET 27 39.236 11.970 -19.868 201 1HE MET 27 1HE MET 27 41.729 11.555 -21.681 202 2HE MET 27 2HE MET 27 42.974 12.747 -21.307 203 3HE MET 27 3HE MET 27 42.248 11.795 -20.013 204 H LEU 28 H LEU 28 37.929 12.788 -24.670 205 HA LEU 28 HA LEU 28 37.785 10.530 -26.508 206 1HB LEU 28 1HB LEU 28 36.356 12.471 -26.916 207 2HB LEU 28 2HB LEU 28 37.772 13.499 -27.045 208 HG LEU 28 HG LEU 28 38.382 11.705 -28.940 209 1HD1 LEU 28 1HD1 LEU 28 36.071 10.641 -28.373 210 2HD1 LEU 28 2HD1 LEU 28 35.444 11.952 -29.371 211 3HD1 LEU 28 3HD1 LEU 28 36.590 10.797 -30.051 212 1HD2 LEU 28 1HD2 LEU 28 38.170 14.213 -29.073 213 2HD2 LEU 28 2HD2 LEU 28 37.725 13.331 -30.535 214 3HD2 LEU 28 3HD2 LEU 28 36.469 13.964 -29.471 215 H CYS 29 H CYS 29 39.508 9.639 -27.406 216 HA CYS 29 HA CYS 29 42.073 11.053 -27.252 217 1HB CYS 29 1HB CYS 29 41.286 8.169 -27.404 218 2HB CYS 29 2HB CYS 29 42.899 8.659 -27.914 219 H THR 30 H THR 30 43.379 11.370 -29.019 220 HA THR 30 HA THR 30 42.451 10.481 -31.647 221 HB THR 30 HB THR 30 42.977 13.389 -30.997 222 HG1 THR 30 HG1 THR 30 40.878 12.899 -30.467 223 1HG2 THR 30 1HG2 THR 30 42.767 11.892 -33.572 224 2HG2 THR 30 2HG2 THR 30 42.126 13.532 -33.484 225 3HG2 THR 30 3HG2 THR 30 43.829 13.230 -33.134 226 H CYS 31 H CYS 31 44.074 10.315 -33.186 227 HA CYS 31 HA CYS 31 46.794 10.790 -32.162 228 1HB CYS 31 1HB CYS 31 47.508 9.000 -33.773 229 2HB CYS 31 2HB CYS 31 46.489 8.437 -32.452 230 H LEU 32 H LEU 32 47.515 12.607 -32.986 231 HA LEU 32 HA LEU 32 46.673 13.584 -35.553 232 1HB LEU 32 1HB LEU 32 48.643 15.278 -34.902 233 2HB LEU 32 2HB LEU 32 47.014 15.409 -34.271 234 HG LEU 32 HG LEU 32 48.932 13.753 -32.721 235 1HD1 LEU 32 1HD1 LEU 32 49.484 16.484 -33.438 236 2HD1 LEU 32 2HD1 LEU 32 49.234 16.322 -31.699 237 3HD1 LEU 32 3HD1 LEU 32 50.456 15.340 -32.509 238 1HD2 LEU 32 1HD2 LEU 32 46.361 14.752 -32.363 239 2HD2 LEU 32 2HD2 LEU 32 47.381 13.989 -31.144 240 3HD2 LEU 32 3HD2 LEU 32 47.378 15.744 -31.317 241 H GLY 33 H GLY 33 50.029 13.961 -34.687 242 1HA GLY 33 1HA GLY 33 50.837 12.052 -36.762 243 2HA GLY 33 2HA GLY 33 51.304 13.733 -36.954 244 H ASN 34 H ASN 34 51.770 14.179 -34.126 245 HA ASN 34 HA ASN 34 54.449 13.102 -34.012 246 1HB ASN 34 1HB ASN 34 53.787 14.472 -31.591 247 2HB ASN 34 2HB ASN 34 54.884 14.974 -32.872 248 2HD2 ASN 34 1HD2 ASN 34 52.530 16.105 -31.096 249 1HD2 ASN 34 2HD2 ASN 34 51.711 17.136 -32.215 250 H GLY 35 H GLY 35 51.382 12.601 -32.420 251 1HA GLY 35 1HA GLY 35 52.222 10.057 -31.428 252 2HA GLY 35 2HA GLY 35 52.104 11.243 -30.136 253 H VAL 36 H VAL 36 50.288 10.969 -29.054 254 HA VAL 36 HA VAL 36 47.762 10.898 -30.496 255 HB VAL 36 HB VAL 36 48.673 8.696 -28.652 256 1HG1 VAL 36 1HG1 VAL 36 45.882 9.575 -29.299 257 2HG1 VAL 36 2HG1 VAL 36 46.247 7.897 -28.899 258 3HG1 VAL 36 3HG1 VAL 36 46.584 9.175 -27.731 259 1HG2 VAL 36 1HG2 VAL 36 48.001 8.963 -31.499 260 2HG2 VAL 36 2HG2 VAL 36 49.082 7.831 -30.686 261 3HG2 VAL 36 3HG2 VAL 36 47.344 7.535 -30.699 262 H SER 37 H SER 37 46.559 12.427 -29.612 263 HA SER 37 HA SER 37 46.796 12.912 -26.715 264 1HB SER 37 1HB SER 37 47.697 14.750 -28.178 265 2HB SER 37 2HB SER 37 46.064 14.975 -28.803 266 HG SER 37 HG SER 37 46.065 14.939 -26.103 267 H CYS 38 H CYS 38 44.912 13.480 -25.580 268 HA CYS 38 HA CYS 38 42.384 12.917 -26.982 269 1HB CYS 38 1HB CYS 38 42.719 12.185 -24.102 270 2HB CYS 38 2HB CYS 38 41.643 11.492 -25.310 271 H GLN 39 H GLN 39 40.527 13.512 -25.222 272 HA GLN 39 HA GLN 39 41.191 16.132 -24.076 273 1HB GLN 39 2HB GLN 39 39.468 17.250 -25.147 274 2HB GLN 39 1HB GLN 39 38.568 15.774 -25.468 275 1HG GLN 39 1HG GLN 39 40.534 15.203 -27.045 276 2HG GLN 39 2HG GLN 39 39.313 16.365 -27.562 277 2HE2 GLN 39 1HE2 GLN 39 40.032 18.633 -26.313 278 1HE2 GLN 39 2HE2 GLN 39 41.595 19.151 -26.838 279 H GLU 40 H GLU 40 39.406 16.939 -22.643 280 HA GLU 40 HA GLU 40 38.737 14.933 -20.731 281 1HB GLU 40 2HB GLU 40 39.321 17.380 -20.284 282 2HB GLU 40 1HB GLU 40 37.988 16.691 -19.365 283 1HG GLU 40 1HG GLU 40 37.167 17.920 -21.878 284 2HG GLU 40 2HG GLU 40 36.497 18.090 -20.256 285 H THR 41 H THR 41 37.519 14.065 -22.978 286 HA THR 41 HA THR 41 35.500 13.137 -23.560 287 HB THR 41 HB THR 41 33.642 13.255 -22.195 288 HG1 THR 41 HG1 THR 41 34.358 15.728 -21.035 289 1HG2 THR 41 1HG2 THR 41 36.131 13.211 -20.889 290 2HG2 THR 41 2HG2 THR 41 35.067 14.197 -19.889 291 3HG2 THR 41 3HG2 THR 41 34.602 12.549 -20.312 292 H ALA 42 H ALA 42 35.186 16.566 -22.737 293 HA ALA 42 HA ALA 42 35.131 18.268 -24.432 294 1HB ALA 42 1HB ALA 42 35.042 16.690 -26.308 295 2HB ALA 42 2HB ALA 42 33.352 16.356 -25.939 296 3HB ALA 42 3HB ALA 42 33.834 17.967 -26.466 297 H VAL 43 H VAL 43 33.507 17.138 -22.117 298 HA VAL 43 HA VAL 43 30.862 17.571 -22.119 299 HB VAL 43 HB VAL 43 31.634 17.043 -20.032 300 1HG1 VAL 43 1HG1 VAL 43 33.900 18.738 -20.782 301 2HG1 VAL 43 2HG1 VAL 43 33.508 18.757 -19.063 302 3HG1 VAL 43 3HG1 VAL 43 33.859 17.229 -19.871 303 1HG2 VAL 43 1HG2 VAL 43 30.230 19.313 -20.110 304 2HG2 VAL 43 2HG2 VAL 43 30.773 18.573 -18.605 305 3HG2 VAL 43 3HG2 VAL 43 31.685 19.906 -19.310 306 H THR 44 H THR 44 32.790 20.265 -20.906 307 HA THR 44 HA THR 44 32.897 22.467 -21.690 308 HB THR 44 HB THR 44 30.303 22.032 -23.167 309 HG1 THR 44 HG1 THR 44 32.985 21.673 -24.064 310 1HG2 THR 44 1HG2 THR 44 32.378 24.174 -23.049 311 2HG2 THR 44 2HG2 THR 44 31.498 23.915 -24.555 312 3HG2 THR 44 3HG2 THR 44 30.620 24.312 -23.079 313 H GLN 45 H GLN 45 31.701 24.435 -21.116 314 HA GLN 45 HA GLN 45 30.496 24.219 -18.596 315 1HB GLN 45 1HB GLN 45 30.646 26.476 -20.585 316 2HB GLN 45 2HB GLN 45 29.843 26.658 -19.033 317 1HG GLN 45 1HG GLN 45 32.215 25.633 -18.247 318 2HG GLN 45 2HG GLN 45 32.702 26.532 -19.683 319 2HE2 GLN 45 1HE2 GLN 45 32.185 26.722 -16.422 320 1HE2 GLN 45 2HE2 GLN 45 32.051 28.437 -16.259 321 H THR 46 H THR 46 29.072 24.818 -21.792 322 HA THR 46 HA THR 46 26.957 24.544 -22.587 323 HB THR 46 HB THR 46 25.554 23.248 -20.499 324 HG1 THR 46 HG1 THR 46 27.228 22.464 -19.415 325 1HG2 THR 46 1HG2 THR 46 26.781 22.394 -23.103 326 2HG2 THR 46 2HG2 THR 46 25.929 21.244 -22.072 327 3HG2 THR 46 3HG2 THR 46 25.080 22.653 -22.711 328 H TYR 47 H TYR 47 25.080 25.719 -22.574 329 HA TYR 47 HA TYR 47 23.957 26.847 -20.208 330 1HB TYR 47 1HB TYR 47 24.394 29.238 -20.852 331 2HB TYR 47 2HB TYR 47 25.817 28.360 -20.297 332 HD1 TYR 47 HD1 TYR 47 24.039 28.898 -23.549 333 HD2 TYR 47 HD2 TYR 47 27.749 28.816 -21.465 334 HE1 TYR 47 HE1 TYR 47 25.210 29.497 -25.624 335 HE2 TYR 47 HE2 TYR 47 28.930 29.417 -23.534 336 HH TYR 47 HH TYR 47 28.572 30.361 -25.654 337 H GLY 48 H GLY 48 22.397 28.766 -20.964 338 1HA GLY 48 1HA GLY 48 20.293 28.920 -21.956 339 2HA GLY 48 2HA GLY 48 21.318 29.214 -23.352 340 H GLY 49 H GLY 49 20.432 28.179 -25.018 341 1HA GLY 49 1HA GLY 49 19.796 26.404 -26.340 342 2HA GLY 49 2HA GLY 49 20.338 25.329 -25.059 343 H ASN 50 H ASN 50 18.738 23.981 -24.574 344 HA ASN 50 HA ASN 50 16.027 25.102 -24.289 345 1HB ASN 50 1HB ASN 50 16.197 23.505 -26.161 346 2HB ASN 50 2HB ASN 50 16.791 22.273 -25.053 347 2HD2 ASN 50 1HD2 ASN 50 14.189 24.643 -24.707 348 1HD2 ASN 50 2HD2 ASN 50 12.935 23.486 -24.437 349 H SER 51 H SER 51 18.635 23.703 -22.696 350 HA SER 51 HA SER 51 16.930 23.071 -20.380 351 1HB SER 51 1HB SER 51 18.870 21.387 -21.749 352 2HB SER 51 2HB SER 51 19.250 21.569 -20.036 353 HG SER 51 HG SER 51 17.583 20.383 -19.560 354 H ASN 52 H ASN 52 18.726 25.394 -21.401 355 HA ASN 52 HA ASN 52 19.982 27.031 -20.446 356 1HB ASN 52 1HB ASN 52 18.413 27.023 -18.626 357 2HB ASN 52 2HB ASN 52 19.150 25.584 -17.926 358 2HD2 ASN 52 1HD2 ASN 52 19.428 26.701 -15.969 359 1HD2 ASN 52 2HD2 ASN 52 20.692 27.860 -15.767 360 H GLY 53 H GLY 53 21.037 24.195 -21.047 361 1HA GLY 53 1HA GLY 53 23.284 23.568 -21.297 362 2HA GLY 53 2HA GLY 53 23.728 24.753 -20.080 363 H GLU 54 H GLU 54 21.476 21.997 -20.052 364 HA GLU 54 HA GLU 54 22.376 21.221 -17.434 365 1HB GLU 54 1HB GLU 54 20.325 20.194 -19.361 366 2HB GLU 54 2HB GLU 54 20.806 19.206 -17.994 367 1HG GLU 54 1HG GLU 54 20.274 21.823 -17.042 368 2HG GLU 54 2HG GLU 54 18.935 21.326 -18.076 369 HA PRO 55 HA PRO 55 25.370 18.093 -18.143 370 1HB PRO 55 2HB PRO 55 25.135 16.430 -16.578 371 2HB PRO 55 1HB PRO 55 23.505 16.014 -17.122 372 1HG PRO 55 1HG PRO 55 22.989 17.133 -15.154 373 2HG PRO 55 2HG PRO 55 24.396 18.203 -15.287 374 1HD PRO 55 1HD PRO 55 21.741 18.384 -16.640 375 2HD PRO 55 2HD PRO 55 22.799 19.680 -16.045 376 H CYS 56 H CYS 56 25.582 17.819 -20.324 377 HA CYS 56 HA CYS 56 23.760 16.888 -22.142 378 1HB CYS 56 2HB CYS 56 25.591 16.410 -23.611 379 2HB CYS 56 1HB CYS 56 26.701 16.214 -22.259 380 H VAL 57 H VAL 57 23.851 14.754 -23.359 381 HA VAL 57 HA VAL 57 24.255 12.503 -21.506 382 HB VAL 57 HB VAL 57 21.846 13.179 -21.618 383 1HG1 VAL 57 1HG1 VAL 57 22.372 13.281 -24.368 384 2HG1 VAL 57 2HG1 VAL 57 21.269 11.926 -24.133 385 3HG1 VAL 57 3HG1 VAL 57 20.828 13.533 -23.557 386 1HG2 VAL 57 1HG2 VAL 57 22.982 10.680 -21.562 387 2HG2 VAL 57 2HG2 VAL 57 21.293 11.047 -21.210 388 3HG2 VAL 57 3HG2 VAL 57 21.763 10.523 -22.827 389 H LEU 58 H LEU 58 26.255 12.616 -23.012 390 HA LEU 58 HA LEU 58 25.703 11.159 -25.505 391 1HB LEU 58 1HB LEU 58 28.351 11.788 -25.643 392 2HB LEU 58 2HB LEU 58 27.053 12.724 -26.357 393 HG LEU 58 HG LEU 58 28.631 14.141 -25.143 394 1HD1 LEU 58 1HD1 LEU 58 25.815 14.077 -24.805 395 2HD1 LEU 58 2HD1 LEU 58 26.544 14.624 -23.295 396 3HD1 LEU 58 3HD1 LEU 58 26.898 15.470 -24.802 397 1HD2 LEU 58 1HD2 LEU 58 28.250 12.112 -23.086 398 2HD2 LEU 58 2HD2 LEU 58 29.576 13.249 -23.327 399 3HD2 LEU 58 3HD2 LEU 58 28.119 13.762 -22.476 400 HA PRO 59 HA PRO 59 27.587 10.372 -26.961 401 1HB PRO 59 1HB PRO 59 27.456 7.916 -28.100 402 2HB PRO 59 2HB PRO 59 28.964 8.627 -27.528 403 1HG PRO 59 2HG PRO 59 28.974 6.653 -26.309 404 2HG PRO 59 1HG PRO 59 27.204 6.608 -26.206 405 1HD PRO 59 1HD PRO 59 27.605 7.438 -24.102 406 2HD PRO 59 2HD PRO 59 29.162 8.147 -24.570 407 H PHE 60 H PHE 60 25.777 11.069 -27.897 408 HA PHE 60 HA PHE 60 23.328 9.458 -27.584 409 1HB PHE 60 1HB PHE 60 22.165 11.651 -28.209 410 2HB PHE 60 2HB PHE 60 22.909 11.573 -26.617 411 HD1 PHE 60 HD1 PHE 60 23.332 12.861 -30.049 412 HD2 PHE 60 HD2 PHE 60 24.620 13.067 -25.999 413 HE1 PHE 60 HE1 PHE 60 24.616 14.894 -30.565 414 HE2 PHE 60 HE2 PHE 60 25.906 15.102 -26.507 415 HZ PHE 60 HZ PHE 60 25.906 16.015 -28.793 416 H THR 61 H THR 61 21.744 9.947 -29.516 417 HA THR 61 HA THR 61 23.320 9.751 -32.002 418 HB THR 61 HB THR 61 20.695 8.490 -32.144 419 HG1 THR 61 HG1 THR 61 20.905 7.039 -30.586 420 1HG2 THR 61 1HG2 THR 61 23.529 7.628 -32.707 421 2HG2 THR 61 2HG2 THR 61 22.124 6.605 -33.007 422 3HG2 THR 61 3HG2 THR 61 22.305 8.132 -33.872 423 H TYR 62 H TYR 62 22.890 11.239 -33.479 424 HA TYR 62 HA TYR 62 20.202 12.375 -33.645 425 1HB TYR 62 1HB TYR 62 21.304 13.989 -32.266 426 2HB TYR 62 2HB TYR 62 22.735 13.980 -33.292 427 HD1 TYR 62 HD1 TYR 62 19.065 14.440 -33.872 428 HD2 TYR 62 HD2 TYR 62 23.001 15.945 -34.459 429 HE1 TYR 62 HE1 TYR 62 18.147 16.319 -35.165 430 HE2 TYR 62 HE2 TYR 62 22.094 17.829 -35.753 431 HH TYR 62 HH TYR 62 18.604 18.285 -36.136 432 H ASN 63 H ASN 63 19.524 12.490 -35.685 433 HA ASN 63 HA ASN 63 19.514 12.615 -37.961 434 1HB ASN 63 1HB ASN 63 21.398 14.378 -37.372 435 2HB ASN 63 2HB ASN 63 22.448 13.162 -38.095 436 2HD2 ASN 63 1HD2 ASN 63 20.240 15.673 -38.653 437 1HD2 ASN 63 2HD2 ASN 63 20.174 15.555 -40.376 438 H GLY 64 H GLY 64 20.989 10.366 -36.176 439 1HA GLY 64 1HA GLY 64 21.001 8.093 -37.006 440 2HA GLY 64 2HA GLY 64 21.582 8.713 -38.544 441 H ARG 65 H ARG 65 23.289 10.479 -36.477 442 HA ARG 65 HA ARG 65 25.492 8.531 -36.422 443 1HB ARG 65 1HB ARG 65 27.019 10.335 -36.565 444 2HB ARG 65 2HB ARG 65 25.758 10.678 -37.740 445 1HG ARG 65 1HG ARG 65 24.700 12.087 -35.861 446 2HG ARG 65 2HG ARG 65 26.295 12.000 -35.114 447 1HD ARG 65 1HD ARG 65 26.720 13.832 -36.344 448 2HD ARG 65 2HD ARG 65 26.949 12.678 -37.657 449 HE ARG 65 HE ARG 65 24.225 13.476 -37.414 450 1HH1 ARG 65 1HH1 ARG 65 27.332 14.479 -38.633 451 2HH1 ARG 65 2HH1 ARG 65 26.664 15.509 -39.855 452 1HH2 ARG 65 1HH2 ARG 65 23.338 14.829 -39.020 453 2HH2 ARG 65 2HH2 ARG 65 24.393 15.708 -40.074 454 H THR 66 H THR 66 27.158 9.904 -34.643 455 HA THR 66 HA THR 66 25.648 10.046 -32.140 456 HB THR 66 HB THR 66 28.115 8.327 -32.461 457 HG1 THR 66 HG1 THR 66 25.370 7.771 -32.508 458 1HG2 THR 66 1HG2 THR 66 27.734 9.482 -30.234 459 2HG2 THR 66 2HG2 THR 66 26.271 8.509 -30.087 460 3HG2 THR 66 3HG2 THR 66 27.848 7.724 -30.183 461 H PHE 67 H PHE 67 26.726 11.168 -30.443 462 HA PHE 67 HA PHE 67 29.192 12.564 -31.186 463 1HB PHE 67 1HB PHE 67 26.908 14.076 -29.943 464 2HB PHE 67 2HB PHE 67 28.345 14.715 -30.734 465 HD1 PHE 67 HD1 PHE 67 25.487 12.464 -31.569 466 HD2 PHE 67 HD2 PHE 67 28.029 15.646 -32.802 467 HE1 PHE 67 HE1 PHE 67 24.238 12.637 -33.681 468 HE2 PHE 67 HE2 PHE 67 26.783 15.825 -34.918 469 HZ PHE 67 HZ PHE 67 24.886 14.317 -35.360 470 H TYR 68 H TYR 68 30.569 12.942 -29.535 471 HA TYR 68 HA TYR 68 29.897 11.752 -26.960 472 1HB TYR 68 1HB TYR 68 32.512 12.642 -28.182 473 2HB TYR 68 2HB TYR 68 32.371 12.008 -26.547 474 HD1 TYR 68 HD1 TYR 68 30.100 10.011 -27.529 475 HD2 TYR 68 HD2 TYR 68 34.081 10.838 -28.743 476 HE1 TYR 68 HE1 TYR 68 30.297 7.717 -28.401 477 HE2 TYR 68 HE2 TYR 68 34.303 8.555 -29.620 478 HH TYR 68 HH TYR 68 33.127 6.687 -30.214 479 H SER 69 H SER 69 29.124 14.564 -27.998 480 HA SER 69 HA SER 69 28.877 15.904 -25.656 481 1HB SER 69 1HB SER 69 31.641 15.848 -26.421 482 2HB SER 69 2HB SER 69 31.063 17.512 -26.457 483 HG SER 69 HG SER 69 30.396 15.899 -24.268 484 H CYS 70 H CYS 70 29.525 18.546 -26.264 485 HA CYS 70 HA CYS 70 27.406 19.455 -27.685 486 1HB CYS 70 2HB CYS 70 28.579 21.560 -27.919 487 2HB CYS 70 1HB CYS 70 30.126 20.769 -27.660 488 H THR 71 H THR 71 27.160 20.392 -29.783 489 HA THR 71 HA THR 71 29.008 19.998 -31.888 490 HB THR 71 HB THR 71 28.250 17.621 -31.500 491 HG1 THR 71 HG1 THR 71 28.796 18.818 -33.669 492 1HG2 THR 71 1HG2 THR 71 25.637 18.758 -32.504 493 2HG2 THR 71 2HG2 THR 71 26.012 17.037 -32.423 494 3HG2 THR 71 3HG2 THR 71 25.930 17.993 -30.943 495 H THR 72 H THR 72 28.264 20.857 -33.877 496 HA THR 72 HA THR 72 25.737 22.352 -33.646 497 HB THR 72 HB THR 72 27.050 23.705 -35.589 498 HG1 THR 72 HG1 THR 72 28.932 22.257 -34.988 499 1HG2 THR 72 1HG2 THR 72 26.886 24.046 -32.630 500 2HG2 THR 72 2HG2 THR 72 27.864 25.176 -33.568 501 3HG2 THR 72 3HG2 THR 72 26.144 24.998 -33.915 502 H GLU 73 H GLU 73 24.852 20.266 -34.504 503 HA GLU 73 HA GLU 73 25.069 20.191 -37.444 504 1HB GLU 73 1HB GLU 73 24.809 17.987 -35.429 505 2HB GLU 73 2HB GLU 73 24.231 17.753 -37.073 506 1HG GLU 73 2HG GLU 73 26.373 16.898 -37.153 507 2HG GLU 73 1HG GLU 73 27.021 18.143 -36.086 508 H GLY 74 H GLY 74 23.168 21.443 -35.278 509 1HA GLY 74 1HA GLY 74 20.848 21.406 -36.892 510 2HA GLY 74 2HA GLY 74 20.631 20.320 -35.532 511 H ARG 75 H ARG 75 21.664 23.645 -36.248 512 HA ARG 75 HA ARG 75 20.089 24.528 -33.927 513 1HB ARG 75 1HB ARG 75 21.890 26.374 -33.707 514 2HB ARG 75 2HB ARG 75 22.236 24.777 -33.060 515 1HG ARG 75 1HG ARG 75 23.112 25.641 -35.799 516 2HG ARG 75 2HG ARG 75 24.090 25.893 -34.352 517 1HD ARG 75 1HD ARG 75 24.781 23.781 -34.370 518 2HD ARG 75 2HD ARG 75 23.126 23.184 -34.475 519 HE ARG 75 HE ARG 75 23.548 22.718 -36.657 520 1HH1 ARG 75 1HH1 ARG 75 25.589 25.374 -35.711 521 2HH1 ARG 75 2HH1 ARG 75 26.348 25.511 -37.261 522 1HH2 ARG 75 1HH2 ARG 75 24.537 22.890 -38.701 523 2HH2 ARG 75 2HH2 ARG 75 25.749 24.099 -38.963 524 H GLN 76 H GLN 76 20.116 27.155 -34.090 525 HA GLN 76 HA GLN 76 18.937 27.682 -36.721 526 1HB GLN 76 2HB GLN 76 17.733 29.480 -35.685 527 2HB GLN 76 1HB GLN 76 18.717 29.375 -34.231 528 1HG GLN 76 1HG GLN 76 17.387 26.873 -34.873 529 2HG GLN 76 2HG GLN 76 17.447 27.772 -33.357 530 2HE2 GLN 76 1HE2 GLN 76 16.037 28.131 -36.599 531 1HE2 GLN 76 2HE2 GLN 76 14.482 28.649 -36.052 532 H ASP 77 H ASP 77 21.635 28.510 -34.757 533 HA ASP 77 HA ASP 77 22.394 30.579 -36.711 534 1HB ASP 77 1HB ASP 77 21.828 31.594 -34.533 535 2HB ASP 77 2HB ASP 77 23.037 30.577 -33.756 536 H GLY 78 H GLY 78 24.130 29.087 -34.011 537 1HA GLY 78 1HA GLY 78 25.637 27.211 -35.369 538 2HA GLY 78 2HA GLY 78 26.495 28.732 -35.556 539 H HIS 79 H HIS 79 24.620 27.720 -32.757 540 HA HIS 79 HA HIS 79 27.037 27.987 -31.121 541 1HB HIS 79 2HB HIS 79 25.688 28.606 -29.346 542 2HB HIS 79 1HB HIS 79 24.306 27.693 -29.942 543 HD1 HIS 79 HD1 HIS 79 22.633 29.591 -29.916 544 HD2 HIS 79 HD2 HIS 79 26.056 30.468 -32.102 545 HE1 HIS 79 HE1 HIS 79 22.125 31.733 -31.130 546 HE2 HIS 79 HE2 HIS 79 24.246 32.296 -32.367 547 H LEU 80 H LEU 80 27.986 26.272 -30.244 548 HA LEU 80 HA LEU 80 27.389 23.650 -30.824 549 1HB LEU 80 1HB LEU 80 29.001 25.020 -28.749 550 2HB LEU 80 2HB LEU 80 28.617 23.336 -28.449 551 HG LEU 80 HG LEU 80 29.686 22.692 -30.547 552 1HD1 LEU 80 1HD1 LEU 80 30.012 25.655 -30.864 553 2HD1 LEU 80 2HD1 LEU 80 31.082 24.515 -31.679 554 3HD1 LEU 80 3HD1 LEU 80 29.349 24.484 -32.004 555 1HD2 LEU 80 1HD2 LEU 80 31.017 23.932 -28.305 556 2HD2 LEU 80 2HD2 LEU 80 31.453 22.483 -29.212 557 3HD2 LEU 80 3HD2 LEU 80 31.979 24.068 -29.777 558 H TRP 81 H TRP 81 26.244 21.996 -29.824 559 HA TRP 81 HA TRP 81 24.760 22.593 -27.395 560 1HB TRP 81 1HB TRP 81 22.599 22.011 -28.366 561 2HB TRP 81 2HB TRP 81 23.304 23.380 -29.222 562 HD1 TRP 81 HD1 TRP 81 23.859 23.070 -31.781 563 HE1 TRP 81 HE1 TRP 81 23.364 21.203 -33.475 564 HE3 TRP 81 HE3 TRP 81 22.381 19.389 -28.546 565 HZ2 TRP 81 HZ2 TRP 81 22.467 18.528 -33.456 566 HZ3 TRP 81 HZ3 TRP 81 21.721 17.206 -29.469 567 HH2 TRP 81 HH2 TRP 81 21.762 16.785 -31.873 568 H CYS 82 H CYS 82 23.587 20.695 -26.548 569 HA CYS 82 HA CYS 82 24.463 18.102 -27.552 570 1HB CYS 82 1HB CYS 82 25.302 17.371 -25.378 571 2HB CYS 82 2HB CYS 82 26.213 18.765 -25.949 572 H SER 83 H SER 83 23.437 16.314 -26.053 573 HA SER 83 HA SER 83 20.623 17.067 -25.757 574 1HB SER 83 1HB SER 83 20.841 15.177 -27.153 575 2HB SER 83 2HB SER 83 22.024 14.420 -26.088 576 HG SER 83 HG SER 83 19.747 13.636 -26.029 577 H THR 84 H THR 84 19.457 16.791 -23.882 578 HA THR 84 HA THR 84 21.038 16.633 -21.450 579 HB THR 84 HB THR 84 19.250 17.578 -20.300 580 HG1 THR 84 HG1 THR 84 17.213 17.090 -20.700 581 1HG2 THR 84 1HG2 THR 84 19.664 18.602 -23.016 582 2HG2 THR 84 2HG2 THR 84 18.149 19.117 -22.273 583 3HG2 THR 84 3HG2 THR 84 19.682 19.448 -21.468 584 H THR 85 H THR 85 18.993 14.589 -23.307 585 HA THR 85 HA THR 85 19.237 12.530 -21.247 586 HB THR 85 HB THR 85 16.868 13.744 -21.401 587 HG1 THR 85 HG1 THR 85 17.556 11.896 -20.076 588 1HG2 THR 85 1HG2 THR 85 16.797 12.963 -23.894 589 2HG2 THR 85 2HG2 THR 85 16.326 11.413 -23.197 590 3HG2 THR 85 3HG2 THR 85 15.346 12.850 -22.899 591 H SER 86 H SER 86 18.880 10.342 -22.079 592 HA SER 86 HA SER 86 20.398 9.776 -24.314 593 1HB SER 86 1HB SER 86 19.811 8.143 -22.531 594 2HB SER 86 2HB SER 86 18.180 8.048 -23.195 595 HG SER 86 HG SER 86 20.607 7.293 -24.448 596 H ASN 87 H ASN 87 16.862 9.364 -24.128 597 HA ASN 87 HA ASN 87 16.631 9.239 -26.984 598 1HB ASN 87 1HB ASN 87 15.048 8.506 -24.768 599 2HB ASN 87 2HB ASN 87 14.110 9.687 -25.676 600 2HD2 ASN 87 1HD2 ASN 87 13.375 7.017 -25.397 601 1HD2 ASN 87 2HD2 ASN 87 13.440 6.263 -26.950 602 H TYR 88 H TYR 88 17.475 11.269 -27.658 603 HA TYR 88 HA TYR 88 16.204 13.709 -26.797 604 1HB TYR 88 1HB TYR 88 18.462 14.011 -27.342 605 2HB TYR 88 2HB TYR 88 18.338 13.036 -28.801 606 HD1 TYR 88 HD1 TYR 88 17.223 13.978 -30.819 607 HD2 TYR 88 HD2 TYR 88 18.017 16.351 -27.379 608 HE1 TYR 88 HE1 TYR 88 16.916 16.016 -32.161 609 HE2 TYR 88 HE2 TYR 88 17.716 18.396 -28.711 610 HH TYR 88 HH TYR 88 17.780 19.125 -31.007 611 H GLU 89 H GLU 89 15.865 11.425 -29.387 612 HA GLU 89 HA GLU 89 14.392 13.100 -31.155 613 1HB GLU 89 1HB GLU 89 14.858 10.147 -30.939 614 2HB GLU 89 2HB GLU 89 13.635 10.760 -32.045 615 1HG GLU 89 1HG GLU 89 16.345 11.961 -32.160 616 2HG GLU 89 2HG GLU 89 16.124 10.335 -32.803 617 H GLN 90 H GLN 90 13.612 11.475 -28.260 618 HA GLN 90 HA GLN 90 10.749 11.479 -28.849 619 1HB GLN 90 1HB GLN 90 10.501 9.868 -27.270 620 2HB GLN 90 2HB GLN 90 12.214 9.621 -27.570 621 1HG GLN 90 1HG GLN 90 12.774 10.983 -25.643 622 2HG GLN 90 2HG GLN 90 11.066 11.317 -25.363 623 2HE2 GLN 90 1HE2 GLN 90 9.700 9.289 -25.152 624 1HE2 GLN 90 2HE2 GLN 90 10.353 8.026 -24.171 625 H ASP 91 H ASP 91 13.001 12.704 -26.399 626 HA ASP 91 HA ASP 91 11.010 14.399 -25.202 627 1HB ASP 91 1HB ASP 91 13.894 13.817 -24.733 628 2HB ASP 91 2HB ASP 91 13.255 15.338 -24.116 629 H GLN 92 H GLN 92 13.927 14.917 -27.159 630 HA GLN 92 HA GLN 92 14.492 16.574 -28.611 631 1HB GLN 92 1HB GLN 92 12.085 16.370 -29.322 632 2HB GLN 92 2HB GLN 92 11.708 17.675 -28.205 633 1HG GLN 92 1HG GLN 92 11.951 18.885 -30.102 634 2HG GLN 92 2HG GLN 92 13.626 18.896 -29.555 635 2HE2 GLN 92 1HE2 GLN 92 11.380 17.041 -31.568 636 1HE2 GLN 92 2HE2 GLN 92 12.544 16.602 -32.768 637 H LYS 93 H LYS 93 15.311 16.844 -26.049 638 HA LYS 93 HA LYS 93 15.173 19.754 -25.658 639 1HB LYS 93 1HB LYS 93 14.957 19.606 -23.359 640 2HB LYS 93 2HB LYS 93 13.945 18.274 -23.897 641 1HG LYS 93 1HG LYS 93 16.807 17.951 -23.035 642 2HG LYS 93 2HG LYS 93 15.422 17.760 -21.958 643 1HD LYS 93 1HD LYS 93 15.063 15.694 -22.693 644 2HD LYS 93 2HD LYS 93 15.019 16.257 -24.364 645 1HE LYS 93 1HE LYS 93 17.718 16.282 -23.482 646 2HE LYS 93 2HE LYS 93 17.018 14.722 -23.068 647 1HZ LYS 93 1HZ LYS 93 16.149 15.204 -25.611 648 2HZ LYS 93 2HZ LYS 93 17.748 15.757 -25.626 649 3HZ LYS 93 3HZ LYS 93 17.408 14.165 -25.169 650 H TYR 94 H TYR 94 17.056 20.645 -25.965 651 HA TYR 94 HA TYR 94 19.493 19.133 -25.307 652 1HB TYR 94 1HB TYR 94 20.562 20.011 -27.298 653 2HB TYR 94 2HB TYR 94 19.071 19.202 -27.752 654 HD1 TYR 94 HD1 TYR 94 20.641 22.511 -27.250 655 HD2 TYR 94 HD2 TYR 94 17.316 20.380 -28.833 656 HE1 TYR 94 HE1 TYR 94 19.902 24.545 -28.420 657 HE2 TYR 94 HE2 TYR 94 16.568 22.407 -30.007 658 HH TYR 94 HH TYR 94 18.090 25.510 -29.470 659 H SER 95 H SER 95 21.450 20.759 -25.505 660 HA SER 95 HA SER 95 20.768 23.327 -24.265 661 1HB SER 95 1HB SER 95 23.064 22.655 -22.926 662 2HB SER 95 2HB SER 95 21.437 22.471 -22.272 663 HG SER 95 HG SER 95 21.485 20.316 -23.209 664 H PHE 96 H PHE 96 22.686 24.828 -24.273 665 HA PHE 96 HA PHE 96 24.134 24.468 -26.792 666 1HB PHE 96 1HB PHE 96 23.311 26.840 -25.178 667 2HB PHE 96 2HB PHE 96 24.739 26.980 -26.197 668 HD1 PHE 96 HD1 PHE 96 23.776 25.179 -28.448 669 HD2 PHE 96 HD2 PHE 96 21.892 28.333 -26.300 670 HE1 PHE 96 HE1 PHE 96 22.336 25.631 -30.386 671 HE2 PHE 96 HE2 PHE 96 20.446 28.791 -28.238 672 HZ PHE 96 HZ PHE 96 20.669 27.439 -30.285 673 H CYS 97 H CYS 97 26.324 25.920 -26.599 674 HA CYS 97 HA CYS 97 27.783 25.328 -24.170 675 1HB CYS 97 1HB CYS 97 28.758 24.165 -26.782 676 2HB CYS 97 2HB CYS 97 29.471 23.953 -25.187 677 H THR 98 H THR 98 29.792 26.437 -24.032 678 HA THR 98 HA THR 98 29.837 28.982 -25.103 679 HB THR 98 HB THR 98 32.012 29.233 -24.184 680 HG1 THR 98 HG1 THR 98 32.312 26.456 -23.792 681 1HG2 THR 98 1HG2 THR 98 29.953 27.823 -22.740 682 2HG2 THR 98 2HG2 THR 98 31.550 27.439 -22.100 683 3HG2 THR 98 3HG2 THR 98 31.018 29.118 -22.193 684 H ASP 99 H ASP 99 32.471 26.731 -25.840 685 HA ASP 99 HA ASP 99 32.296 26.308 -28.482 686 1HB ASP 99 1HB ASP 99 32.641 29.163 -28.001 687 2HB ASP 99 2HB ASP 99 33.893 28.507 -29.050 688 H HIS 100 H HIS 100 34.461 27.650 -26.050 689 HA HIS 100 HA HIS 100 36.424 26.735 -25.248 690 1HB HIS 100 1HB HIS 100 35.508 24.644 -26.788 691 2HB HIS 100 2HB HIS 100 37.057 25.018 -27.537 692 HD1 HIS 100 HD1 HIS 100 38.017 25.918 -24.435 693 HD2 HIS 100 HD2 HIS 100 36.820 22.226 -25.918 694 HE1 HIS 100 HE1 HIS 100 39.004 24.214 -22.872 695 HE2 HIS 100 HE2 HIS 100 38.188 21.993 -23.736 696 H THR 101 H THR 101 38.787 26.652 -25.999 697 HA THR 101 HA THR 101 39.308 28.255 -28.377 698 HB THR 101 HB THR 101 40.802 29.796 -27.065 699 HG1 THR 101 HG1 THR 101 40.144 28.169 -25.085 700 1HG2 THR 101 1HG2 THR 101 38.519 30.414 -27.874 701 2HG2 THR 101 2HG2 THR 101 37.892 29.966 -26.288 702 3HG2 THR 101 3HG2 THR 101 39.037 31.298 -26.439 No H/Q in entry = 702 Start of MODEL 49 1 H1 TYR 1 H1 TYR 1 53.801 6.432 -41.241 2 H2 TYR 1 H2 TYR 1 53.032 5.524 -42.445 3 H3 TYR 1 H3 TYR 1 53.148 7.206 -42.597 4 HA TYR 1 HA TYR 1 51.135 7.332 -41.718 5 1HB TYR 1 1HB TYR 1 51.635 4.483 -41.644 6 2HB TYR 1 2HB TYR 1 50.663 4.976 -40.263 7 HD1 TYR 1 HD1 TYR 1 48.863 6.950 -41.156 8 HD2 TYR 1 HD2 TYR 1 50.338 3.599 -43.323 9 HE1 TYR 1 HE1 TYR 1 46.861 6.998 -42.582 10 HE2 TYR 1 HE2 TYR 1 48.341 3.638 -44.756 11 HH TYR 1 HH TYR 1 46.625 5.415 -45.475 12 H GLY 2 H GLY 2 50.345 8.221 -39.848 13 1HA GLY 2 1HA GLY 2 52.224 8.432 -37.648 14 2HA GLY 2 2HA GLY 2 50.728 9.334 -37.833 15 H HIS 3 H HIS 3 51.234 5.827 -37.864 16 HA HIS 3 HA HIS 3 49.014 5.137 -36.407 17 1HB HIS 3 1HB HIS 3 51.598 3.835 -37.013 18 2HB HIS 3 2HB HIS 3 50.712 3.170 -35.644 19 HD1 HIS 3 HD1 HIS 3 50.981 2.893 -39.213 20 HD2 HIS 3 HD2 HIS 3 47.914 2.481 -36.440 21 HE1 HIS 3 HE1 HIS 3 49.184 1.584 -40.387 22 HE2 HIS 3 HE2 HIS 3 47.381 1.262 -38.657 23 H CYS 4 H CYS 4 48.555 6.355 -34.610 24 HA CYS 4 HA CYS 4 50.555 6.715 -32.548 25 1HB CYS 4 1HB CYS 4 47.681 7.592 -32.812 26 2HB CYS 4 2HB CYS 4 48.594 7.810 -31.334 27 H VAL 5 H VAL 5 49.596 6.383 -30.195 28 HA VAL 5 HA VAL 5 48.046 3.950 -29.929 29 HB VAL 5 HB VAL 5 50.167 3.321 -28.274 30 1HG1 VAL 5 1HG1 VAL 5 48.760 1.816 -29.659 31 2HG1 VAL 5 2HG1 VAL 5 49.719 2.277 -31.066 32 3HG1 VAL 5 3HG1 VAL 5 50.479 1.428 -29.720 33 1HG2 VAL 5 1HG2 VAL 5 51.208 4.431 -30.870 34 2HG2 VAL 5 2HG2 VAL 5 51.698 4.853 -29.229 35 3HG2 VAL 5 3HG2 VAL 5 52.106 3.271 -29.893 36 H THR 6 H THR 6 47.088 3.743 -27.940 37 HA THR 6 HA THR 6 47.601 5.933 -26.038 38 HB THR 6 HB THR 6 45.418 6.371 -26.364 39 HG1 THR 6 HG1 THR 6 45.303 5.445 -24.299 40 1HG2 THR 6 1HG2 THR 6 45.271 3.597 -27.501 41 2HG2 THR 6 2HG2 THR 6 43.811 4.537 -27.202 42 3HG2 THR 6 3HG2 THR 6 45.035 5.144 -28.315 43 H ASP 7 H ASP 7 46.027 2.736 -25.876 44 HA ASP 7 HA ASP 7 46.963 2.309 -23.202 45 1HB ASP 7 1HB ASP 7 44.896 1.298 -24.731 46 2HB ASP 7 2HB ASP 7 46.003 -0.066 -24.613 47 H SER 8 H SER 8 48.579 2.198 -26.031 48 HA SER 8 HA SER 8 50.738 1.494 -26.414 49 1HB SER 8 1HB SER 8 51.973 0.654 -24.712 50 2HB SER 8 2HB SER 8 50.541 0.976 -23.735 51 HG SER 8 HG SER 8 49.910 -1.160 -24.017 52 H GLY 9 H GLY 9 47.935 -0.043 -26.756 53 1HA GLY 9 1HA GLY 9 49.185 -2.283 -28.210 54 2HA GLY 9 2HA GLY 9 47.750 -2.532 -27.227 55 H VAL 10 H VAL 10 46.447 -0.087 -27.938 56 HA VAL 10 HA VAL 10 45.358 -0.912 -30.491 57 HB VAL 10 HB VAL 10 44.495 1.535 -28.982 58 1HG1 VAL 10 1HG1 VAL 10 43.039 -0.444 -30.731 59 2HG1 VAL 10 2HG1 VAL 10 42.304 0.947 -29.933 60 3HG1 VAL 10 3HG1 VAL 10 43.528 1.191 -31.179 61 1HG2 VAL 10 1HG2 VAL 10 44.510 -1.128 -27.955 62 2HG2 VAL 10 2HG2 VAL 10 43.887 0.344 -27.210 63 3HG2 VAL 10 3HG2 VAL 10 42.842 -0.631 -28.244 64 H VAL 11 H VAL 11 46.830 -0.396 -32.068 65 HA VAL 11 HA VAL 11 48.214 2.077 -32.207 66 HB VAL 11 HB VAL 11 47.673 0.392 -34.627 67 1HG1 VAL 11 1HG1 VAL 11 49.119 2.616 -34.364 68 2HG1 VAL 11 2HG1 VAL 11 50.348 1.438 -33.907 69 3HG1 VAL 11 3HG1 VAL 11 49.558 1.324 -35.480 70 1HG2 VAL 11 1HG2 VAL 11 48.971 -0.460 -32.149 71 2HG2 VAL 11 2HG2 VAL 11 48.365 -1.417 -33.500 72 3HG2 VAL 11 3HG2 VAL 11 49.964 -0.679 -33.589 73 H TYR 12 H TYR 12 46.747 3.771 -32.069 74 HA TYR 12 HA TYR 12 44.590 3.977 -34.003 75 1HB TYR 12 1HB TYR 12 45.529 5.769 -31.760 76 2HB TYR 12 2HB TYR 12 44.232 6.218 -32.861 77 HD1 TYR 12 HD1 TYR 12 42.128 4.882 -32.888 78 HD2 TYR 12 HD2 TYR 12 45.158 4.259 -29.968 79 HE1 TYR 12 HE1 TYR 12 40.509 3.686 -31.475 80 HE2 TYR 12 HE2 TYR 12 43.545 3.060 -28.546 81 HH TYR 12 HH TYR 12 41.444 2.403 -28.295 82 H SER 13 H SER 13 45.036 4.648 -36.011 83 HA SER 13 HA SER 13 47.435 6.071 -36.630 84 1HB SER 13 1HB SER 13 45.255 4.811 -38.116 85 2HB SER 13 2HB SER 13 45.885 6.266 -38.885 86 HG SER 13 HG SER 13 47.971 4.903 -38.072 87 H VAL 14 H VAL 14 47.604 8.126 -37.621 88 HA VAL 14 HA VAL 14 46.306 10.187 -36.279 89 HB VAL 14 HB VAL 14 48.385 10.708 -37.255 90 1HG1 VAL 14 1HG1 VAL 14 47.480 9.070 -39.378 91 2HG1 VAL 14 2HG1 VAL 14 47.910 10.638 -40.061 92 3HG1 VAL 14 3HG1 VAL 14 49.094 9.732 -39.116 93 1HG2 VAL 14 1HG2 VAL 14 46.645 12.505 -37.367 94 2HG2 VAL 14 2HG2 VAL 14 47.959 12.681 -38.530 95 3HG2 VAL 14 3HG2 VAL 14 46.391 12.072 -39.057 96 H GLY 15 H GLY 15 44.056 9.795 -36.397 97 1HA GLY 15 1HA GLY 15 42.394 11.259 -37.725 98 2HA GLY 15 2HA GLY 15 42.835 10.189 -39.043 99 H MET 16 H MET 16 42.991 8.257 -36.438 100 HA MET 16 HA MET 16 40.620 6.865 -37.082 101 1HB MET 16 1HB MET 16 42.902 6.445 -35.428 102 2HB MET 16 2HB MET 16 41.467 6.159 -34.453 103 1HG MET 16 1HG MET 16 40.874 4.849 -36.784 104 2HG MET 16 2HG MET 16 42.608 4.583 -36.621 105 1HE MET 16 1HE MET 16 43.617 3.130 -35.591 106 2HE MET 16 2HE MET 16 43.340 2.528 -33.957 107 3HE MET 16 3HE MET 16 42.728 1.627 -35.344 108 H GLN 17 H GLN 17 41.295 9.460 -34.906 109 HA GLN 17 HA GLN 17 40.076 10.386 -33.170 110 1HB GLN 17 1HB GLN 17 38.608 10.435 -35.707 111 2HB GLN 17 2HB GLN 17 37.584 10.679 -34.298 112 1HG GLN 17 1HG GLN 17 39.223 12.458 -33.575 113 2HG GLN 17 2HG GLN 17 39.940 12.315 -35.179 114 2HE2 GLN 17 1HE2 GLN 17 36.707 12.602 -33.737 115 1HE2 GLN 17 2HE2 GLN 17 36.128 13.787 -34.851 116 H TRP 18 H TRP 18 39.953 8.819 -31.581 117 HA TRP 18 HA TRP 18 37.474 7.230 -31.568 118 1HB TRP 18 1HB TRP 18 38.645 5.551 -30.243 119 2HB TRP 18 2HB TRP 18 39.493 5.839 -31.759 120 HD1 TRP 18 HD1 TRP 18 40.001 5.833 -28.062 121 HE1 TRP 18 HE1 TRP 18 42.385 6.599 -27.504 122 HE3 TRP 18 HE3 TRP 18 41.381 7.609 -32.657 123 HZ2 TRP 18 HZ2 TRP 18 44.577 7.799 -28.835 124 HZ3 TRP 18 HZ3 TRP 18 43.635 8.553 -32.928 125 HH2 TRP 18 HH2 TRP 18 45.199 8.646 -31.059 126 H LEU 19 H LEU 19 37.532 6.350 -28.974 127 HA LEU 19 HA LEU 19 37.688 8.691 -27.253 128 1HB LEU 19 1HB LEU 19 35.441 8.796 -28.201 129 2HB LEU 19 2HB LEU 19 35.140 7.141 -27.708 130 HG LEU 19 HG LEU 19 35.792 8.301 -25.323 131 1HD1 LEU 19 1HD1 LEU 19 34.944 10.408 -27.158 132 2HD1 LEU 19 2HD1 LEU 19 33.992 10.327 -25.676 133 3HD1 LEU 19 3HD1 LEU 19 35.743 10.520 -25.590 134 1HD2 LEU 19 1HD2 LEU 19 33.584 7.098 -26.537 135 2HD2 LEU 19 2HD2 LEU 19 33.810 7.430 -24.820 136 3HD2 LEU 19 3HD2 LEU 19 32.976 8.599 -25.841 137 H LYS 20 H LYS 20 38.518 8.131 -25.358 138 HA LYS 20 HA LYS 20 38.478 5.287 -24.616 139 1HB LYS 20 2HB LYS 20 40.696 6.337 -24.886 140 2HB LYS 20 1HB LYS 20 40.426 5.745 -23.252 141 1HG LYS 20 1HG LYS 20 40.261 8.602 -24.179 142 2HG LYS 20 2HG LYS 20 39.863 8.046 -22.553 143 1HD LYS 20 1HD LYS 20 42.413 7.003 -23.251 144 2HD LYS 20 2HD LYS 20 42.404 8.729 -23.618 145 1HE LYS 20 1HE LYS 20 41.625 9.209 -21.350 146 2HE LYS 20 2HE LYS 20 41.622 7.485 -20.983 147 1HZ LYS 20 1HZ LYS 20 44.143 8.306 -22.004 148 2HZ LYS 20 2HZ LYS 20 43.716 9.238 -20.658 149 3HZ LYS 20 3HZ LYS 20 43.779 7.552 -20.535 150 H THR 21 H THR 21 38.998 5.328 -21.987 151 HA THR 21 HA THR 21 37.154 7.078 -20.599 152 HB THR 21 HB THR 21 36.539 4.356 -19.814 153 HG1 THR 21 HG1 THR 21 36.873 3.934 -22.052 154 1HG2 THR 21 1HG2 THR 21 35.073 6.842 -20.582 155 2HG2 THR 21 2HG2 THR 21 34.193 5.317 -20.492 156 3HG2 THR 21 3HG2 THR 21 35.032 5.934 -19.070 157 H GLN 22 H GLN 22 37.643 7.296 -18.452 158 HA GLN 22 HA GLN 22 40.042 5.875 -17.548 159 1HB GLN 22 2HB GLN 22 40.359 7.682 -15.977 160 2HB GLN 22 1HB GLN 22 38.777 8.346 -16.360 161 1HG GLN 22 1HG GLN 22 41.010 8.105 -18.358 162 2HG GLN 22 2HG GLN 22 39.486 8.970 -18.548 163 2HE2 GLN 22 1HE2 GLN 22 39.885 11.057 -18.585 164 1HE2 GLN 22 2HE2 GLN 22 40.939 11.913 -17.519 165 H GLY 23 H GLY 23 37.045 5.077 -17.429 166 1HA GLY 23 1HA GLY 23 36.368 3.331 -15.896 167 2HA GLY 23 2HA GLY 23 37.162 4.222 -14.609 168 H ASN 24 H ASN 24 36.222 6.446 -14.204 169 HA ASN 24 HA ASN 24 33.291 6.221 -14.243 170 1HB ASN 24 1HB ASN 24 34.321 6.282 -12.007 171 2HB ASN 24 2HB ASN 24 35.064 7.831 -12.394 172 2HD2 ASN 24 1HD2 ASN 24 31.844 6.343 -12.580 173 1HD2 ASN 24 2HD2 ASN 24 30.999 7.686 -11.899 174 H LYS 25 H LYS 25 35.570 7.646 -16.018 175 HA LYS 25 HA LYS 25 33.898 10.017 -16.512 176 1HB LYS 25 1HB LYS 25 36.916 9.969 -16.652 177 2HB LYS 25 2HB LYS 25 35.876 11.357 -16.940 178 1HG LYS 25 1HG LYS 25 36.244 11.873 -14.810 179 2HG LYS 25 2HG LYS 25 35.136 10.555 -14.421 180 1HD LYS 25 1HD LYS 25 36.791 9.217 -13.683 181 2HD LYS 25 2HD LYS 25 37.907 9.731 -14.950 182 1HE LYS 25 2HE LYS 25 37.515 11.956 -13.272 183 2HE LYS 25 1HE LYS 25 38.972 10.982 -13.456 184 1HZ LYS 25 1HZ LYS 25 36.813 10.085 -11.666 185 2HZ LYS 25 2HZ LYS 25 38.463 9.713 -11.617 186 3HZ LYS 25 3HZ LYS 25 37.926 11.242 -11.135 187 H GLN 26 H GLN 26 34.153 10.927 -18.681 188 HA GLN 26 HA GLN 26 34.748 8.828 -20.662 189 1HB GLN 26 1HB GLN 26 32.792 11.130 -20.846 190 2HB GLN 26 2HB GLN 26 33.118 9.974 -22.130 191 1HG GLN 26 1HG GLN 26 32.410 8.190 -20.429 192 2HG GLN 26 2HG GLN 26 31.728 9.536 -19.517 193 2HE2 GLN 26 1HE2 GLN 26 30.046 7.626 -20.310 194 1HE2 GLN 26 2HE2 GLN 26 29.050 8.171 -21.612 195 H MET 27 H MET 27 36.488 9.199 -21.870 196 HA MET 27 HA MET 27 37.238 11.996 -22.412 197 1HB MET 27 1HB MET 27 38.705 10.775 -20.737 198 2HB MET 27 2HB MET 27 39.206 9.738 -22.066 199 1HG MET 27 1HG MET 27 39.449 12.515 -22.786 200 2HG MET 27 2HG MET 27 40.323 12.166 -21.294 201 1HE MET 27 1HE MET 27 42.681 12.626 -22.169 202 2HE MET 27 2HE MET 27 42.626 11.146 -21.211 203 3HE MET 27 3HE MET 27 43.577 11.201 -22.695 204 H LEU 28 H LEU 28 37.856 12.508 -24.459 205 HA LEU 28 HA LEU 28 37.621 10.370 -26.468 206 1HB LEU 28 1HB LEU 28 35.969 12.008 -26.886 207 2HB LEU 28 2HB LEU 28 37.088 13.326 -26.589 208 HG LEU 28 HG LEU 28 38.179 11.886 -28.731 209 1HD1 LEU 28 1HD1 LEU 28 35.703 11.009 -28.755 210 2HD1 LEU 28 2HD1 LEU 28 35.395 12.566 -29.523 211 3HD1 LEU 28 3HD1 LEU 28 36.535 11.433 -30.250 212 1HD2 LEU 28 1HD2 LEU 28 38.033 14.402 -28.144 213 2HD2 LEU 28 2HD2 LEU 28 38.055 13.922 -29.841 214 3HD2 LEU 28 3HD2 LEU 28 36.532 14.363 -29.069 215 H CYS 29 H CYS 29 39.382 9.822 -27.626 216 HA CYS 29 HA CYS 29 41.725 11.598 -27.429 217 1HB CYS 29 1HB CYS 29 41.405 8.671 -27.270 218 2HB CYS 29 2HB CYS 29 42.778 9.223 -28.220 219 H THR 30 H THR 30 43.219 11.607 -29.241 220 HA THR 30 HA THR 30 42.318 10.690 -31.817 221 HB THR 30 HB THR 30 42.444 13.669 -31.312 222 HG1 THR 30 HG1 THR 30 40.177 13.342 -32.196 223 1HG2 THR 30 1HG2 THR 30 42.241 12.028 -33.819 224 2HG2 THR 30 2HG2 THR 30 41.582 13.662 -33.747 225 3HG2 THR 30 3HG2 THR 30 43.303 13.393 -33.470 226 H CYS 31 H CYS 31 43.928 10.768 -33.394 227 HA CYS 31 HA CYS 31 46.600 11.442 -32.363 228 1HB CYS 31 1HB CYS 31 46.455 9.117 -32.916 229 2HB CYS 31 2HB CYS 31 45.696 9.465 -34.461 230 H LEU 32 H LEU 32 47.082 13.459 -32.974 231 HA LEU 32 HA LEU 32 46.174 14.559 -35.469 232 1HB LEU 32 1HB LEU 32 47.857 16.432 -34.641 233 2HB LEU 32 2HB LEU 32 46.248 16.252 -33.967 234 HG LEU 32 HG LEU 32 48.413 14.735 -32.632 235 1HD1 LEU 32 1HD1 LEU 32 48.958 17.340 -33.256 236 2HD1 LEU 32 2HD1 LEU 32 48.213 17.481 -31.664 237 3HD1 LEU 32 3HD1 LEU 32 49.627 16.453 -31.888 238 1HD2 LEU 32 1HD2 LEU 32 45.954 14.827 -31.984 239 2HD2 LEU 32 2HD2 LEU 32 47.130 15.125 -30.704 240 3HD2 LEU 32 3HD2 LEU 32 46.272 16.476 -31.445 241 H GLY 33 H GLY 33 49.472 14.405 -34.134 242 1HA GLY 33 1HA GLY 33 50.540 13.125 -36.451 243 2HA GLY 33 2HA GLY 33 50.848 14.853 -36.478 244 H ASN 34 H ASN 34 51.524 15.559 -34.056 245 HA ASN 34 HA ASN 34 54.068 14.278 -33.664 246 1HB ASN 34 1HB ASN 34 54.650 16.119 -32.391 247 2HB ASN 34 2HB ASN 34 53.409 16.818 -33.425 248 2HD2 ASN 34 1HD2 ASN 34 54.400 16.203 -30.257 249 1HD2 ASN 34 2HD2 ASN 34 52.980 16.754 -29.443 250 H GLY 35 H GLY 35 50.932 13.938 -32.428 251 1HA GLY 35 1HA GLY 35 51.630 11.747 -30.783 252 2HA GLY 35 2HA GLY 35 51.328 13.165 -29.788 253 H VAL 36 H VAL 36 49.489 12.234 -28.839 254 HA VAL 36 HA VAL 36 47.161 12.132 -30.636 255 HB VAL 36 HB VAL 36 47.964 10.204 -28.493 256 1HG1 VAL 36 1HG1 VAL 36 45.255 11.234 -28.908 257 2HG1 VAL 36 2HG1 VAL 36 45.382 9.476 -28.998 258 3HG1 VAL 36 3HG1 VAL 36 45.930 10.328 -27.553 259 1HG2 VAL 36 1HG2 VAL 36 46.785 9.962 -31.248 260 2HG2 VAL 36 2HG2 VAL 36 48.425 9.564 -30.740 261 3HG2 VAL 36 3HG2 VAL 36 47.067 8.595 -30.170 262 H SER 37 H SER 37 45.840 13.745 -30.203 263 HA SER 37 HA SER 37 45.853 14.991 -27.572 264 1HB SER 37 1HB SER 37 45.978 16.466 -29.514 265 2HB SER 37 2HB SER 37 44.476 15.793 -30.147 266 HG SER 37 HG SER 37 44.131 17.763 -29.040 267 H CYS 38 H CYS 38 44.159 14.993 -26.170 268 HA CYS 38 HA CYS 38 41.648 13.742 -26.997 269 1HB CYS 38 1HB CYS 38 42.864 12.918 -24.387 270 2HB CYS 38 2HB CYS 38 41.642 12.101 -25.346 271 H GLN 39 H GLN 39 40.006 13.893 -25.137 272 HA GLN 39 HA GLN 39 40.412 16.310 -23.530 273 1HB GLN 39 1HB GLN 39 38.051 15.806 -25.347 274 2HB GLN 39 2HB GLN 39 38.131 17.092 -24.153 275 1HG GLN 39 1HG GLN 39 40.452 17.242 -25.781 276 2HG GLN 39 2HG GLN 39 39.039 17.109 -26.827 277 2HE2 GLN 39 1HE2 GLN 39 37.182 18.405 -25.187 278 1HE2 GLN 39 2HE2 GLN 39 37.595 20.081 -25.110 279 H GLU 40 H GLU 40 40.358 15.345 -21.562 280 HA GLU 40 HA GLU 40 38.672 13.179 -20.879 281 1HB GLU 40 1HB GLU 40 39.314 13.719 -18.534 282 2HB GLU 40 2HB GLU 40 40.685 13.548 -19.620 283 1HG GLU 40 1HG GLU 40 40.586 16.098 -19.838 284 2HG GLU 40 2HG GLU 40 39.546 16.042 -18.416 285 H THR 41 H THR 41 36.625 13.105 -20.266 286 HA THR 41 HA THR 41 34.597 13.707 -19.403 287 HB THR 41 HB THR 41 35.853 16.401 -18.865 288 HG1 THR 41 HG1 THR 41 35.493 14.042 -17.361 289 1HG2 THR 41 1HG2 THR 41 33.102 15.513 -18.795 290 2HG2 THR 41 2HG2 THR 41 33.655 16.032 -17.202 291 3HG2 THR 41 3HG2 THR 41 33.767 17.133 -18.575 292 H ALA 42 H ALA 42 36.142 16.126 -21.501 293 HA ALA 42 HA ALA 42 35.205 17.531 -23.080 294 1HB ALA 42 1HB ALA 42 35.119 14.815 -23.819 295 2HB ALA 42 3HB ALA 42 35.188 16.227 -24.873 296 3HB ALA 42 2HB ALA 42 33.628 15.550 -24.406 297 H VAL 43 H VAL 43 33.808 18.917 -22.047 298 HA VAL 43 HA VAL 43 30.992 18.422 -22.503 299 HB VAL 43 HB VAL 43 32.175 18.230 -19.852 300 1HG1 VAL 43 1HG1 VAL 43 31.215 20.602 -19.823 301 2HG1 VAL 43 2HG1 VAL 43 29.641 19.808 -19.887 302 3HG1 VAL 43 3HG1 VAL 43 30.734 19.491 -18.544 303 1HG2 VAL 43 1HG2 VAL 43 29.606 17.476 -21.163 304 2HG2 VAL 43 2HG2 VAL 43 30.896 16.433 -20.565 305 3HG2 VAL 43 3HG2 VAL 43 29.840 17.272 -19.429 306 H THR 44 H THR 44 29.729 20.404 -21.617 307 HA THR 44 HA THR 44 31.184 22.905 -21.732 308 HB THR 44 HB THR 44 29.002 22.930 -23.697 309 HG1 THR 44 HG1 THR 44 29.936 20.883 -24.179 310 1HG2 THR 44 1HG2 THR 44 30.933 24.642 -23.071 311 2HG2 THR 44 2HG2 THR 44 31.802 23.725 -24.301 312 3HG2 THR 44 3HG2 THR 44 30.287 24.529 -24.708 313 H GLN 45 H GLN 45 29.140 24.659 -22.198 314 HA GLN 45 HA GLN 45 27.403 24.154 -19.889 315 1HB GLN 45 2HB GLN 45 27.150 26.516 -19.684 316 2HB GLN 45 1HB GLN 45 27.821 26.794 -21.285 317 1HG GLN 45 1HG GLN 45 29.408 25.592 -19.036 318 2HG GLN 45 2HG GLN 45 30.003 26.225 -20.569 319 2HE2 GLN 45 1HE2 GLN 45 28.202 28.535 -20.455 320 1HE2 GLN 45 2HE2 GLN 45 28.890 29.613 -19.293 321 H THR 46 H THR 46 25.260 23.920 -20.095 322 HA THR 46 HA THR 46 24.052 24.493 -22.726 323 HB THR 46 HB THR 46 22.600 22.594 -22.479 324 HG1 THR 46 HG1 THR 46 22.520 22.791 -20.097 325 1HG2 THR 46 1HG2 THR 46 25.333 22.384 -22.818 326 2HG2 THR 46 2HG2 THR 46 24.966 21.141 -21.622 327 3HG2 THR 46 3HG2 THR 46 24.140 21.137 -23.179 328 H TYR 47 H TYR 47 21.802 25.084 -22.725 329 HA TYR 47 HA TYR 47 20.923 26.239 -20.161 330 1HB TYR 47 1HB TYR 47 19.518 27.702 -21.939 331 2HB TYR 47 2HB TYR 47 21.088 28.184 -21.310 332 HD1 TYR 47 HD1 TYR 47 23.157 27.508 -22.696 333 HD2 TYR 47 HD2 TYR 47 19.190 27.482 -24.229 334 HE1 TYR 47 HE1 TYR 47 24.048 27.606 -24.986 335 HE2 TYR 47 HE2 TYR 47 20.069 27.577 -26.523 336 HH TYR 47 HH TYR 47 23.565 27.577 -27.152 337 H GLY 48 H GLY 48 20.002 24.448 -23.029 338 1HA GLY 48 1HA GLY 48 18.368 22.703 -22.845 339 2HA GLY 48 2HA GLY 48 17.550 23.654 -21.617 340 H GLY 49 H GLY 49 18.123 23.302 -25.073 341 1HA GLY 49 1HA GLY 49 16.644 25.417 -26.062 342 2HA GLY 49 2HA GLY 49 16.786 23.857 -26.853 343 H ASN 50 H ASN 50 15.486 22.167 -25.259 344 HA ASN 50 HA ASN 50 12.759 23.270 -25.093 345 1HB ASN 50 1HB ASN 50 13.741 21.086 -26.637 346 2HB ASN 50 2HB ASN 50 12.683 20.432 -25.391 347 2HD2 ASN 50 1HD2 ASN 50 11.219 19.838 -27.040 348 1HD2 ASN 50 2HD2 ASN 50 10.173 21.007 -27.761 349 H SER 51 H SER 51 15.286 21.551 -23.525 350 HA SER 51 HA SER 51 13.546 20.624 -21.380 351 1HB SER 51 1HB SER 51 15.095 18.954 -21.872 352 2HB SER 51 2HB SER 51 16.404 20.108 -22.127 353 HG SER 51 HG SER 51 16.823 19.268 -20.168 354 H ASN 52 H ASN 52 16.758 21.524 -20.526 355 HA ASN 52 HA ASN 52 16.326 24.186 -19.747 356 1HB ASN 52 1HB ASN 52 14.749 22.907 -18.180 357 2HB ASN 52 2HB ASN 52 16.208 22.313 -17.391 358 2HD2 ASN 52 1HD2 ASN 52 15.092 23.461 -15.581 359 1HD2 ASN 52 2HD2 ASN 52 15.469 25.132 -15.354 360 H GLY 53 H GLY 53 18.349 22.214 -20.785 361 1HA GLY 53 1HA GLY 53 20.670 22.348 -20.806 362 2HA GLY 53 2HA GLY 53 20.599 23.340 -19.358 363 H GLU 54 H GLU 54 18.846 20.384 -19.334 364 HA GLU 54 HA GLU 54 20.166 19.380 -17.083 365 1HB GLU 54 1HB GLU 54 18.212 18.300 -19.042 366 2HB GLU 54 2HB GLU 54 19.052 17.151 -18.008 367 1HG GLU 54 1HG GLU 54 17.768 19.550 -16.799 368 2HG GLU 54 2HG GLU 54 16.781 18.173 -17.272 369 HA PRO 55 HA PRO 55 23.717 17.201 -18.486 370 1HB PRO 55 1HB PRO 55 23.461 14.741 -17.307 371 2HB PRO 55 2HB PRO 55 23.970 16.197 -16.445 372 1HG PRO 55 2HG PRO 55 22.115 15.623 -15.175 373 2HG PRO 55 1HG PRO 55 21.272 14.910 -16.563 374 1HD PRO 55 1HD PRO 55 20.159 16.931 -16.488 375 2HD PRO 55 2HD PRO 55 21.547 17.781 -15.778 376 H CYS 56 H CYS 56 23.656 16.837 -20.638 377 HA CYS 56 HA CYS 56 21.855 15.479 -22.153 378 1HB CYS 56 1HB CYS 56 24.802 15.250 -22.724 379 2HB CYS 56 2HB CYS 56 23.472 15.370 -23.869 380 H VAL 57 H VAL 57 22.442 13.373 -23.442 381 HA VAL 57 HA VAL 57 23.198 11.288 -21.499 382 HB VAL 57 HB VAL 57 20.744 11.355 -21.877 383 1HG1 VAL 57 1HG1 VAL 57 21.320 11.935 -24.446 384 2HG1 VAL 57 2HG1 VAL 57 21.001 10.206 -24.578 385 3HG1 VAL 57 3HG1 VAL 57 19.774 11.280 -23.911 386 1HG2 VAL 57 1HG2 VAL 57 22.100 9.251 -21.388 387 2HG2 VAL 57 2HG2 VAL 57 20.482 9.023 -22.052 388 3HG2 VAL 57 3HG2 VAL 57 21.894 8.859 -23.096 389 H LEU 58 H LEU 58 25.170 12.203 -23.086 390 HA LEU 58 HA LEU 58 25.272 10.511 -25.458 391 1HB LEU 58 1HB LEU 58 27.715 11.801 -25.250 392 2HB LEU 58 2HB LEU 58 26.373 12.261 -26.273 393 HG LEU 58 HG LEU 58 26.688 13.271 -23.454 394 1HD1 LEU 58 1HD1 LEU 58 28.292 13.876 -25.695 395 2HD1 LEU 58 2HD1 LEU 58 27.230 15.254 -25.413 396 3HD1 LEU 58 3HD1 LEU 58 28.272 14.667 -24.117 397 1HD2 LEU 58 1HD2 LEU 58 24.868 13.843 -25.740 398 2HD2 LEU 58 2HD2 LEU 58 24.507 13.708 -24.020 399 3HD2 LEU 58 3HD2 LEU 58 25.303 15.153 -24.645 400 HA PRO 59 HA PRO 59 27.645 10.442 -26.633 401 1HB PRO 59 2HB PRO 59 29.181 9.101 -27.623 402 2HB PRO 59 1HB PRO 59 28.156 7.681 -27.433 403 1HG PRO 59 1HG PRO 59 29.770 7.107 -25.889 404 2HG PRO 59 2HG PRO 59 30.213 8.797 -25.589 405 1HD PRO 59 2HD PRO 59 29.000 8.399 -23.661 406 2HD PRO 59 1HD PRO 59 27.960 7.194 -24.449 407 H PHE 60 H PHE 60 26.076 10.592 -28.127 408 HA PHE 60 HA PHE 60 23.927 8.575 -28.013 409 1HB PHE 60 1HB PHE 60 22.504 10.417 -29.038 410 2HB PHE 60 2HB PHE 60 22.990 10.641 -27.364 411 HD1 PHE 60 HD1 PHE 60 24.617 12.340 -26.761 412 HD2 PHE 60 HD2 PHE 60 23.353 11.816 -30.787 413 HE1 PHE 60 HE1 PHE 60 25.566 14.536 -27.337 414 HE2 PHE 60 HE2 PHE 60 24.299 14.012 -31.374 415 HZ PHE 60 HZ PHE 60 25.407 15.371 -29.646 416 H THR 61 H THR 61 22.691 8.374 -30.097 417 HA THR 61 HA THR 61 24.563 8.428 -32.377 418 HB THR 61 HB THR 61 22.365 6.477 -32.529 419 HG1 THR 61 HG1 THR 61 22.742 5.760 -30.557 420 1HG2 THR 61 1HG2 THR 61 25.351 6.327 -32.963 421 2HG2 THR 61 2HG2 THR 61 24.209 5.035 -33.333 422 3HG2 THR 61 3HG2 THR 61 24.122 6.567 -34.206 423 H TYR 62 H TYR 62 23.959 9.807 -33.897 424 HA TYR 62 HA TYR 62 21.101 10.078 -34.509 425 1HB TYR 62 1HB TYR 62 21.545 12.015 -33.197 426 2HB TYR 62 2HB TYR 62 23.067 12.316 -34.029 427 HD1 TYR 62 HD1 TYR 62 19.401 12.104 -34.685 428 HD2 TYR 62 HD2 TYR 62 23.123 13.861 -35.756 429 HE1 TYR 62 HE1 TYR 62 18.237 13.595 -36.256 430 HE2 TYR 62 HE2 TYR 62 21.971 15.358 -37.331 431 HH TYR 62 HH TYR 62 20.035 15.901 -38.273 432 H ASN 63 H ASN 63 20.612 10.172 -36.637 433 HA ASN 63 HA ASN 63 20.859 10.084 -38.895 434 1HB ASN 63 1HB ASN 63 23.057 11.856 -38.029 435 2HB ASN 63 2HB ASN 63 23.261 11.127 -39.619 436 2HD2 ASN 63 1HD2 ASN 63 22.826 13.904 -38.919 437 1HD2 ASN 63 2HD2 ASN 63 21.382 14.391 -39.734 438 H GLY 64 H GLY 64 22.332 8.200 -36.854 439 1HA GLY 64 1HA GLY 64 22.998 5.988 -37.440 440 2HA GLY 64 2HA GLY 64 23.595 6.608 -38.973 441 H ARG 65 H ARG 65 24.710 8.863 -37.037 442 HA ARG 65 HA ARG 65 27.243 7.448 -36.594 443 1HB ARG 65 1HB ARG 65 28.320 9.615 -36.629 444 2HB ARG 65 2HB ARG 65 27.308 9.443 -38.055 445 1HG ARG 65 1HG ARG 65 25.767 10.647 -35.985 446 2HG ARG 65 2HG ARG 65 27.298 11.509 -36.136 447 1HD ARG 65 1HD ARG 65 25.819 10.807 -38.619 448 2HD ARG 65 2HD ARG 65 25.202 12.125 -37.626 449 HE ARG 65 HE ARG 65 27.812 12.751 -37.891 450 1HH1 ARG 65 1HH1 ARG 65 25.334 11.891 -40.182 451 2HH1 ARG 65 2HH1 ARG 65 26.010 12.837 -41.466 452 1HH2 ARG 65 1HH2 ARG 65 28.712 14.001 -39.579 453 2HH2 ARG 65 2HH2 ARG 65 27.930 14.036 -41.124 454 H THR 66 H THR 66 28.425 9.174 -34.783 455 HA THR 66 HA THR 66 26.684 9.043 -32.415 456 HB THR 66 HB THR 66 29.586 8.203 -32.422 457 HG1 THR 66 HG1 THR 66 27.450 6.422 -31.971 458 1HG2 THR 66 1HG2 THR 66 27.483 8.458 -30.323 459 2HG2 THR 66 2HG2 THR 66 28.679 7.172 -30.177 460 3HG2 THR 66 3HG2 THR 66 29.199 8.856 -30.250 461 H PHE 67 H PHE 67 27.631 10.317 -30.547 462 HA PHE 67 HA PHE 67 29.461 12.434 -31.294 463 1HB PHE 67 2HB PHE 67 27.944 14.254 -30.834 464 2HB PHE 67 1HB PHE 67 26.667 13.131 -30.380 465 HD1 PHE 67 HD1 PHE 67 25.592 11.719 -32.103 466 HD2 PHE 67 HD2 PHE 67 28.344 14.808 -33.104 467 HE1 PHE 67 HE1 PHE 67 24.782 11.684 -34.426 468 HE2 PHE 67 HE2 PHE 67 27.538 14.778 -35.429 469 HZ PHE 67 HZ PHE 67 25.755 13.214 -36.092 470 H TYR 68 H TYR 68 30.628 13.128 -29.615 471 HA TYR 68 HA TYR 68 29.886 12.162 -26.938 472 1HB TYR 68 2HB TYR 68 32.262 12.324 -26.383 473 2HB TYR 68 1HB TYR 68 32.603 13.017 -27.965 474 HD1 TYR 68 HD1 TYR 68 30.579 10.068 -26.901 475 HD2 TYR 68 HD2 TYR 68 33.848 11.516 -29.192 476 HE1 TYR 68 HE1 TYR 68 30.928 7.810 -27.814 477 HE2 TYR 68 HE2 TYR 68 34.216 9.265 -30.110 478 HH TYR 68 HH TYR 68 32.932 6.518 -28.812 479 H SER 69 H SER 69 28.650 14.472 -27.922 480 HA SER 69 HA SER 69 28.707 16.246 -25.894 481 1HB SER 69 1HB SER 69 31.035 16.679 -27.699 482 2HB SER 69 2HB SER 69 30.180 18.109 -27.123 483 HG SER 69 HG SER 69 30.559 16.417 -25.083 484 H CYS 70 H CYS 70 28.304 18.690 -26.812 485 HA CYS 70 HA CYS 70 25.906 18.503 -28.269 486 1HB CYS 70 2HB CYS 70 25.922 20.939 -28.233 487 2HB CYS 70 1HB CYS 70 27.622 20.946 -27.783 488 H THR 71 H THR 71 25.487 19.812 -30.291 489 HA THR 71 HA THR 71 27.601 20.272 -32.137 490 HB THR 71 HB THR 71 27.567 17.782 -32.157 491 HG1 THR 71 HG1 THR 71 28.279 18.402 -34.075 492 1HG2 THR 71 1HG2 THR 71 24.779 18.163 -32.206 493 2HG2 THR 71 2HG2 THR 71 25.210 17.460 -33.765 494 3HG2 THR 71 3HG2 THR 71 25.659 16.635 -32.270 495 H THR 72 H THR 72 26.680 20.592 -34.419 496 HA THR 72 HA THR 72 23.935 21.649 -34.246 497 HB THR 72 HB THR 72 24.768 23.380 -35.971 498 HG1 THR 72 HG1 THR 72 26.991 22.056 -35.676 499 1HG2 THR 72 1HG2 THR 72 25.342 23.369 -33.035 500 2HG2 THR 72 2HG2 THR 72 25.826 24.752 -34.018 501 3HG2 THR 72 3HG2 THR 72 24.130 24.280 -33.934 502 H GLU 73 H GLU 73 24.691 19.075 -35.192 503 HA GLU 73 HA GLU 73 24.713 19.172 -38.084 504 1HB GLU 73 1HB GLU 73 25.289 17.228 -36.047 505 2HB GLU 73 2HB GLU 73 24.147 16.552 -37.200 506 1HG GLU 73 1HG GLU 73 26.804 17.792 -37.885 507 2HG GLU 73 2HG GLU 73 26.460 16.064 -37.803 508 H GLY 74 H GLY 74 22.366 19.919 -36.093 509 1HA GLY 74 1HA GLY 74 20.301 18.543 -37.697 510 2HA GLY 74 2HA GLY 74 20.103 18.851 -35.979 511 H ARG 75 H ARG 75 21.668 21.496 -37.003 512 HA ARG 75 HA ARG 75 19.294 22.870 -38.027 513 1HB ARG 75 1HB ARG 75 19.929 24.787 -36.403 514 2HB ARG 75 2HB ARG 75 19.017 23.417 -35.785 515 1HG ARG 75 1HG ARG 75 21.640 22.656 -35.417 516 2HG ARG 75 2HG ARG 75 21.647 24.382 -35.049 517 1HD ARG 75 1HD ARG 75 20.154 22.164 -33.719 518 2HD ARG 75 2HD ARG 75 21.127 23.446 -32.999 519 HE ARG 75 HE ARG 75 18.994 24.710 -34.194 520 1HH1 ARG 75 1HH1 ARG 75 19.431 22.283 -31.735 521 2HH1 ARG 75 2HH1 ARG 75 17.993 22.714 -30.871 522 1HH2 ARG 75 1HH2 ARG 75 17.100 25.287 -33.064 523 2HH2 ARG 75 2HH2 ARG 75 16.667 24.421 -31.627 524 H GLN 76 H GLN 76 19.804 25.087 -38.809 525 HA GLN 76 HA GLN 76 22.534 25.168 -39.919 526 1HB GLN 76 2HB GLN 76 21.712 26.027 -41.913 527 2HB GLN 76 1HB GLN 76 20.247 26.643 -41.164 528 1HG GLN 76 1HG GLN 76 20.798 23.708 -41.468 529 2HG GLN 76 2HG GLN 76 19.269 24.498 -41.084 530 2HE2 GLN 76 1HE2 GLN 76 21.767 24.551 -43.605 531 1HE2 GLN 76 2HE2 GLN 76 20.666 24.626 -44.935 532 H ASP 77 H ASP 77 21.022 26.418 -37.456 533 HA ASP 77 HA ASP 77 21.477 29.241 -37.935 534 1HB ASP 77 1HB ASP 77 19.664 27.968 -36.396 535 2HB ASP 77 2HB ASP 77 20.909 28.279 -35.191 536 H GLY 78 H GLY 78 22.788 26.685 -35.862 537 1HA GLY 78 1HA GLY 78 25.263 26.645 -35.708 538 2HA GLY 78 2HA GLY 78 25.173 28.382 -35.457 539 H HIS 79 H HIS 79 22.925 26.124 -34.006 540 HA HIS 79 HA HIS 79 23.987 26.876 -31.371 541 1HB HIS 79 1HB HIS 79 21.292 25.653 -31.973 542 2HB HIS 79 2HB HIS 79 21.815 26.402 -30.469 543 HD1 HIS 79 HD1 HIS 79 23.144 28.779 -32.459 544 HD2 HIS 79 HD2 HIS 79 19.189 27.634 -31.897 545 HE1 HIS 79 HE1 HIS 79 21.765 30.764 -33.150 546 HE2 HIS 79 HE2 HIS 79 19.374 30.059 -32.777 547 H LEU 80 H LEU 80 25.187 25.423 -30.366 548 HA LEU 80 HA LEU 80 25.397 22.722 -31.230 549 1HB LEU 80 1HB LEU 80 26.497 24.291 -28.919 550 2HB LEU 80 2HB LEU 80 26.706 22.552 -28.991 551 HG LEU 80 HG LEU 80 27.851 22.806 -31.176 552 1HD1 LEU 80 1HD1 LEU 80 27.275 25.689 -30.635 553 2HD1 LEU 80 2HD1 LEU 80 28.690 25.221 -31.578 554 3HD1 LEU 80 3HD1 LEU 80 27.077 24.768 -32.126 555 1HD2 LEU 80 1HD2 LEU 80 29.049 22.734 -28.981 556 2HD2 LEU 80 2HD2 LEU 80 29.927 23.554 -30.274 557 3HD2 LEU 80 3HD2 LEU 80 29.110 24.496 -29.026 558 H TRP 81 H TRP 81 23.751 21.345 -30.933 559 HA TRP 81 HA TRP 81 22.357 21.377 -28.342 560 1HB TRP 81 1HB TRP 81 20.475 20.338 -29.446 561 2HB TRP 81 2HB TRP 81 20.948 21.773 -30.350 562 HD1 TRP 81 HD1 TRP 81 21.652 21.452 -32.841 563 HE1 TRP 81 HE1 TRP 81 21.736 19.428 -34.427 564 HE3 TRP 81 HE3 TRP 81 20.979 17.707 -29.424 565 HZ2 TRP 81 HZ2 TRP 81 21.543 16.619 -34.257 566 HZ3 TRP 81 HZ3 TRP 81 20.939 15.379 -30.220 567 HH2 TRP 81 HH2 TRP 81 21.215 14.848 -32.587 568 H CYS 82 H CYS 82 22.072 19.508 -27.177 569 HA CYS 82 HA CYS 82 23.619 17.172 -28.094 570 1HB CYS 82 1HB CYS 82 24.349 16.759 -25.874 571 2HB CYS 82 2HB CYS 82 24.596 18.480 -26.146 572 H SER 83 H SER 83 22.931 15.230 -26.483 573 HA SER 83 HA SER 83 20.036 14.977 -26.877 574 1HB SER 83 1HB SER 83 20.374 12.581 -26.848 575 2HB SER 83 2HB SER 83 21.538 13.300 -27.960 576 HG SER 83 HG SER 83 22.813 13.299 -25.751 577 H THR 84 H THR 84 18.657 14.434 -25.240 578 HA THR 84 HA THR 84 19.802 14.433 -22.524 579 HB THR 84 HB THR 84 17.373 15.159 -21.905 580 HG1 THR 84 HG1 THR 84 17.212 16.585 -24.222 581 1HG2 THR 84 1HG2 THR 84 19.578 16.507 -21.859 582 2HG2 THR 84 2HG2 THR 84 18.973 17.255 -23.337 583 3HG2 THR 84 3HG2 THR 84 18.054 17.395 -21.838 584 H THR 85 H THR 85 17.996 12.700 -24.827 585 HA THR 85 HA THR 85 17.337 10.662 -22.809 586 HB THR 85 HB THR 85 15.579 11.569 -25.096 587 HG1 THR 85 HG1 THR 85 14.331 12.386 -23.541 588 1HG2 THR 85 1HG2 THR 85 15.811 8.975 -23.917 589 2HG2 THR 85 2HG2 THR 85 14.260 9.678 -23.461 590 3HG2 THR 85 3HG2 THR 85 14.692 9.528 -25.164 591 H SER 86 H SER 86 17.950 8.634 -23.324 592 HA SER 86 HA SER 86 19.817 8.010 -25.186 593 1HB SER 86 1HB SER 86 17.930 6.489 -23.570 594 2HB SER 86 2HB SER 86 18.301 5.674 -25.089 595 HG SER 86 HG SER 86 20.507 6.724 -23.862 596 H ASN 87 H ASN 87 16.346 8.178 -25.688 597 HA ASN 87 HA ASN 87 16.770 7.582 -28.542 598 1HB ASN 87 1HB ASN 87 14.881 6.543 -26.689 599 2HB ASN 87 2HB ASN 87 13.997 7.516 -27.860 600 2HD2 ASN 87 1HD2 ASN 87 13.537 6.647 -29.764 601 1HD2 ASN 87 2HD2 ASN 87 14.199 5.176 -30.381 602 H TYR 88 H TYR 88 17.449 9.877 -28.667 603 HA TYR 88 HA TYR 88 15.486 11.925 -28.264 604 1HB TYR 88 1HB TYR 88 17.588 12.832 -28.058 605 2HB TYR 88 2HB TYR 88 18.276 11.794 -29.300 606 HD1 TYR 88 HD1 TYR 88 18.031 12.383 -31.682 607 HD2 TYR 88 HD2 TYR 88 16.655 14.974 -28.601 608 HE1 TYR 88 HE1 TYR 88 17.912 14.232 -33.299 609 HE2 TYR 88 HE2 TYR 88 16.529 16.828 -30.209 610 HH TYR 88 HH TYR 88 16.498 17.323 -32.457 611 H GLU 89 H GLU 89 16.114 9.660 -30.702 612 HA GLU 89 HA GLU 89 15.171 11.192 -32.931 613 1HB GLU 89 1HB GLU 89 15.779 8.285 -32.479 614 2HB GLU 89 2HB GLU 89 14.992 8.819 -33.959 615 1HG GLU 89 1HG GLU 89 17.324 10.417 -33.347 616 2HG GLU 89 2HG GLU 89 17.711 8.701 -33.470 617 H GLN 90 H GLN 90 13.634 9.795 -30.302 618 HA GLN 90 HA GLN 90 11.083 9.719 -31.771 619 1HB GLN 90 2HB GLN 90 12.062 7.486 -30.872 620 2HB GLN 90 1HB GLN 90 10.357 7.843 -30.624 621 1HG GLN 90 2HG GLN 90 12.150 8.768 -28.500 622 2HG GLN 90 1HG GLN 90 12.046 7.019 -28.689 623 2HE2 GLN 90 1HE2 GLN 90 11.145 8.532 -26.453 624 1HE2 GLN 90 2HE2 GLN 90 9.437 8.305 -26.328 625 H ASP 91 H ASP 91 12.756 10.549 -28.803 626 HA ASP 91 HA ASP 91 10.367 11.695 -27.620 627 1HB ASP 91 1HB ASP 91 12.990 10.877 -26.690 628 2HB ASP 91 2HB ASP 91 12.577 12.483 -26.098 629 H GLN 92 H GLN 92 13.395 12.795 -29.060 630 HA GLN 92 HA GLN 92 13.857 14.775 -30.122 631 1HB GLN 92 1HB GLN 92 11.350 14.896 -30.534 632 2HB GLN 92 2HB GLN 92 11.252 15.877 -29.079 633 1HG GLN 92 1HG GLN 92 11.401 17.523 -30.628 634 2HG GLN 92 2HG GLN 92 13.117 17.272 -30.310 635 2HE2 GLN 92 1HE2 GLN 92 14.172 15.625 -31.752 636 1HE2 GLN 92 2HE2 GLN 92 13.734 15.654 -33.422 637 H LYS 93 H LYS 93 13.679 14.120 -26.981 638 HA LYS 93 HA LYS 93 13.961 16.670 -25.757 639 1HB LYS 93 1HB LYS 93 14.651 13.870 -24.875 640 2HB LYS 93 2HB LYS 93 14.980 15.272 -23.868 641 1HG LYS 93 1HG LYS 93 12.741 13.855 -23.672 642 2HG LYS 93 2HG LYS 93 12.802 15.588 -23.347 643 1HD LYS 93 1HD LYS 93 11.976 16.086 -25.547 644 2HD LYS 93 2HD LYS 93 12.094 14.394 -26.024 645 1HE LYS 93 2HE LYS 93 10.521 14.321 -23.756 646 2HE LYS 93 1HE LYS 93 9.953 14.212 -25.422 647 1HZ LYS 93 1HZ LYS 93 10.341 16.914 -24.772 648 2HZ LYS 93 2HZ LYS 93 8.898 16.122 -25.163 649 3HZ LYS 93 3HZ LYS 93 9.406 16.207 -23.553 650 H TYR 94 H TYR 94 15.599 18.016 -26.018 651 HA TYR 94 HA TYR 94 18.324 16.959 -26.118 652 1HB TYR 94 1HB TYR 94 18.913 18.231 -28.082 653 2HB TYR 94 2HB TYR 94 17.522 17.222 -28.467 654 HD1 TYR 94 HD1 TYR 94 18.462 20.682 -27.476 655 HD2 TYR 94 HD2 TYR 94 15.576 18.181 -29.350 656 HE1 TYR 94 HE1 TYR 94 17.233 22.676 -28.230 657 HE2 TYR 94 HE2 TYR 94 14.342 20.166 -30.112 658 HH TYR 94 HH TYR 94 14.180 22.701 -29.186 659 H SER 95 H SER 95 19.887 18.949 -26.313 660 HA SER 95 HA SER 95 18.925 21.187 -24.680 661 1HB SER 95 2HB SER 95 20.421 20.880 -22.986 662 2HB SER 95 1HB SER 95 21.665 20.252 -24.064 663 HG SER 95 HG SER 95 20.385 18.287 -24.137 664 H PHE 96 H PHE 96 21.344 22.536 -24.439 665 HA PHE 96 HA PHE 96 22.250 22.848 -27.213 666 1HB PHE 96 1HB PHE 96 21.099 24.935 -25.412 667 2HB PHE 96 2HB PHE 96 22.353 25.391 -26.562 668 HD1 PHE 96 HD1 PHE 96 21.918 24.368 -29.012 669 HD2 PHE 96 HD2 PHE 96 18.936 25.211 -26.097 670 HE1 PHE 96 HE1 PHE 96 20.228 24.533 -30.794 671 HE2 PHE 96 HE2 PHE 96 17.243 25.375 -27.871 672 HZ PHE 96 HZ PHE 96 17.886 25.038 -30.224 673 H CYS 97 H CYS 97 24.083 24.763 -27.032 674 HA CYS 97 HA CYS 97 25.796 24.391 -24.744 675 1HB CYS 97 1HB CYS 97 26.195 22.871 -27.214 676 2HB CYS 97 2HB CYS 97 27.616 23.788 -26.722 677 H THR 98 H THR 98 26.352 26.419 -24.350 678 HA THR 98 HA THR 98 26.332 28.519 -26.194 679 HB THR 98 HB THR 98 27.007 29.892 -24.498 680 HG1 THR 98 HG1 THR 98 28.507 28.973 -22.803 681 1HG2 THR 98 1HG2 THR 98 25.359 27.887 -23.690 682 2HG2 THR 98 2HG2 THR 98 26.642 27.784 -22.486 683 3HG2 THR 98 3HG2 THR 98 25.767 29.297 -22.714 684 H ASP 99 H ASP 99 29.135 26.895 -24.731 685 HA ASP 99 HA ASP 99 31.225 26.462 -25.528 686 1HB ASP 99 1HB ASP 99 29.636 26.793 -27.983 687 2HB ASP 99 2HB ASP 99 31.359 27.098 -28.183 688 H HIS 100 H HIS 100 29.966 29.336 -27.237 689 HA HIS 100 HA HIS 100 30.989 31.335 -27.713 690 1HB HIS 100 1HB HIS 100 31.258 30.963 -24.741 691 2HB HIS 100 2HB HIS 100 31.813 32.440 -25.524 692 HD1 HIS 100 HD1 HIS 100 29.806 33.555 -27.126 693 HD2 HIS 100 HD2 HIS 100 28.684 31.116 -23.954 694 HE1 HIS 100 HE1 HIS 100 27.398 34.116 -26.665 695 HE2 HIS 100 HE2 HIS 100 26.718 32.575 -24.792 696 H THR 101 H THR 101 33.257 30.742 -25.115 697 HA THR 101 HA THR 101 35.480 31.282 -26.842 698 HB THR 101 HB THR 101 36.577 30.296 -24.506 699 HG1 THR 101 HG1 THR 101 35.237 30.698 -22.878 700 1HG2 THR 101 1HG2 THR 101 36.690 32.591 -25.880 701 2HG2 THR 101 2HG2 THR 101 35.737 33.137 -24.501 702 3HG2 THR 101 3HG2 THR 101 37.330 32.426 -24.245 No H/Q in entry = 702 Start of MODEL 50 1 H1 TYR 1 H1 TYR 1 53.415 12.267 -34.269 2 H2 TYR 1 H2 TYR 1 54.633 13.144 -33.487 3 H3 TYR 1 H3 TYR 1 53.981 13.714 -34.941 4 HA TYR 1 HA TYR 1 54.957 12.010 -36.197 5 1HB TYR 1 1HB TYR 1 56.726 13.322 -34.155 6 2HB TYR 1 2HB TYR 1 57.419 12.227 -35.347 7 HD1 TYR 1 HD1 TYR 1 56.993 12.748 -37.819 8 HD2 TYR 1 HD2 TYR 1 56.310 15.559 -34.700 9 HE1 TYR 1 HE1 TYR 1 57.069 14.579 -39.459 10 HE2 TYR 1 HE2 TYR 1 56.382 17.398 -36.331 11 HH TYR 1 HH TYR 1 56.064 17.014 -39.549 12 H GLY 2 H GLY 2 53.861 10.040 -35.526 13 1HA GLY 2 1HA GLY 2 55.059 7.797 -35.218 14 2HA GLY 2 2HA GLY 2 55.404 8.417 -33.609 15 H HIS 3 H HIS 3 53.770 6.093 -34.681 16 HA HIS 3 HA HIS 3 51.045 6.565 -34.200 17 1HB HIS 3 1HB HIS 3 52.654 4.367 -34.911 18 2HB HIS 3 2HB HIS 3 51.802 3.883 -33.447 19 HD1 HIS 3 HD1 HIS 3 51.421 3.893 -36.991 20 HD2 HIS 3 HD2 HIS 3 48.852 4.438 -33.770 21 HE1 HIS 3 HE1 HIS 3 49.111 3.487 -37.897 22 HE2 HIS 3 HE2 HIS 3 47.568 3.887 -35.947 23 H CYS 4 H CYS 4 49.920 6.874 -32.374 24 HA CYS 4 HA CYS 4 51.344 6.659 -29.836 25 1HB CYS 4 1HB CYS 4 48.856 8.046 -30.737 26 2HB CYS 4 2HB CYS 4 49.021 7.638 -29.038 27 H VAL 5 H VAL 5 49.658 6.070 -27.954 28 HA VAL 5 HA VAL 5 48.112 3.698 -28.649 29 HB VAL 5 HB VAL 5 49.284 2.603 -26.551 30 1HG1 VAL 5 1HG1 VAL 5 49.191 1.866 -29.004 31 2HG1 VAL 5 2HG1 VAL 5 50.806 2.563 -29.135 32 3HG1 VAL 5 3HG1 VAL 5 50.504 1.243 -28.006 33 1HG2 VAL 5 1HG2 VAL 5 51.245 4.648 -27.514 34 2HG2 VAL 5 2HG2 VAL 5 50.811 4.207 -25.862 35 3HG2 VAL 5 3HG2 VAL 5 51.808 3.122 -26.832 36 H THR 6 H THR 6 47.197 2.746 -26.467 37 HA THR 6 HA THR 6 46.268 5.031 -24.851 38 HB THR 6 HB THR 6 44.119 4.140 -24.710 39 HG1 THR 6 HG1 THR 6 44.736 1.690 -25.926 40 1HG2 THR 6 1HG2 THR 6 45.309 3.723 -27.419 41 2HG2 THR 6 2HG2 THR 6 43.629 3.271 -27.130 42 3HG2 THR 6 3HG2 THR 6 44.149 4.937 -26.878 43 H ASP 7 H ASP 7 47.646 1.869 -24.856 44 HA ASP 7 HA ASP 7 48.420 2.035 -22.146 45 1HB ASP 7 1HB ASP 7 45.814 1.011 -22.548 46 2HB ASP 7 2HB ASP 7 46.840 -0.359 -22.133 47 H SER 8 H SER 8 47.490 -0.505 -24.453 48 HA SER 8 HA SER 8 50.042 -1.212 -25.266 49 1HB SER 8 1HB SER 8 50.431 -1.794 -22.896 50 2HB SER 8 2HB SER 8 49.086 -2.933 -22.964 51 HG SER 8 HG SER 8 50.281 -4.007 -24.666 52 H GLY 9 H GLY 9 47.711 -1.013 -26.588 53 1HA GLY 9 1HA GLY 9 47.462 -3.617 -27.774 54 2HA GLY 9 2HA GLY 9 46.016 -3.132 -26.903 55 H VAL 10 H VAL 10 45.681 -0.563 -27.435 56 HA VAL 10 HA VAL 10 45.156 -0.559 -30.307 57 HB VAL 10 HB VAL 10 44.230 1.617 -28.474 58 1HG1 VAL 10 1HG1 VAL 10 43.917 1.464 -31.045 59 2HG1 VAL 10 2HG1 VAL 10 42.661 0.292 -30.648 60 3HG1 VAL 10 3HG1 VAL 10 42.552 1.941 -30.035 61 1HG2 VAL 10 1HG2 VAL 10 43.812 -0.701 -27.457 62 2HG2 VAL 10 2HG2 VAL 10 42.433 0.384 -27.628 63 3HG2 VAL 10 3HG2 VAL 10 42.671 -0.928 -28.781 64 H VAL 11 H VAL 11 46.640 0.324 -31.577 65 HA VAL 11 HA VAL 11 48.316 2.496 -30.539 66 HB VAL 11 HB VAL 11 48.748 1.119 -33.172 67 1HG1 VAL 11 1HG1 VAL 11 50.408 2.716 -31.259 68 2HG1 VAL 11 2HG1 VAL 11 51.166 1.627 -32.422 69 3HG1 VAL 11 3HG1 VAL 11 50.155 2.957 -32.988 70 1HG2 VAL 11 1HG2 VAL 11 49.243 0.062 -30.434 71 2HG2 VAL 11 2HG2 VAL 11 48.771 -0.789 -31.905 72 3HG2 VAL 11 3HG2 VAL 11 50.439 -0.257 -31.689 73 H TYR 12 H TYR 12 47.121 4.333 -30.793 74 HA TYR 12 HA TYR 12 45.807 4.879 -33.327 75 1HB TYR 12 1HB TYR 12 45.964 6.399 -30.725 76 2HB TYR 12 2HB TYR 12 45.188 7.048 -32.166 77 HD1 TYR 12 HD1 TYR 12 43.258 5.736 -33.172 78 HD2 TYR 12 HD2 TYR 12 44.803 4.981 -29.285 79 HE1 TYR 12 HE1 TYR 12 41.170 4.571 -32.578 80 HE2 TYR 12 HE2 TYR 12 42.721 3.815 -28.674 81 HH TYR 12 HH TYR 12 40.347 2.957 -31.002 82 H SER 13 H SER 13 46.757 5.918 -34.943 83 HA SER 13 HA SER 13 49.390 6.711 -35.004 84 1HB SER 13 1HB SER 13 47.457 8.241 -36.662 85 2HB SER 13 2HB SER 13 48.982 7.494 -37.129 86 HG SER 13 HG SER 13 47.739 5.977 -37.891 87 H VAL 14 H VAL 14 49.653 9.244 -35.924 88 HA VAL 14 HA VAL 14 49.224 10.796 -33.484 89 HB VAL 14 HB VAL 14 51.514 10.716 -34.260 90 1HG1 VAL 14 1HG1 VAL 14 50.257 11.210 -36.854 91 2HG1 VAL 14 2HG1 VAL 14 51.712 12.164 -36.564 92 3HG1 VAL 14 3HG1 VAL 14 51.775 10.404 -36.463 93 1HG2 VAL 14 1HG2 VAL 14 50.000 13.224 -34.179 94 2HG2 VAL 14 2HG2 VAL 14 51.459 12.748 -33.310 95 3HG2 VAL 14 3HG2 VAL 14 51.573 13.345 -34.965 96 H GLY 15 H GLY 15 46.911 10.987 -34.110 97 1HA GLY 15 1HA GLY 15 45.838 13.263 -34.549 98 2HA GLY 15 2HA GLY 15 46.493 13.061 -36.164 99 H MET 16 H MET 16 45.195 10.359 -34.353 100 HA MET 16 HA MET 16 43.104 10.094 -36.377 101 1HB MET 16 1HB MET 16 44.631 8.242 -34.680 102 2HB MET 16 2HB MET 16 42.924 7.848 -34.822 103 1HG MET 16 1HG MET 16 43.668 8.401 -37.415 104 2HG MET 16 2HG MET 16 45.071 7.565 -36.751 105 1HE MET 16 1HE MET 16 44.470 5.502 -34.962 106 2HE MET 16 2HE MET 16 43.767 4.107 -35.779 107 3HE MET 16 3HE MET 16 45.167 4.924 -36.475 108 H GLN 17 H GLN 17 43.509 11.237 -33.246 109 HA GLN 17 HA GLN 17 42.104 11.463 -31.424 110 1HB GLN 17 1HB GLN 17 41.460 13.072 -33.589 111 2HB GLN 17 2HB GLN 17 39.905 12.441 -33.058 112 1HG GLN 17 1HG GLN 17 41.132 13.152 -30.703 113 2HG GLN 17 2HG GLN 17 41.640 14.411 -31.824 114 2HE2 GLN 17 1HE2 GLN 17 39.027 13.029 -30.066 115 1HE2 GLN 17 2HE2 GLN 17 37.840 14.222 -30.458 116 H TRP 18 H TRP 18 41.517 9.526 -30.600 117 HA TRP 18 HA TRP 18 39.123 8.251 -31.730 118 1HB TRP 18 1HB TRP 18 39.868 6.204 -30.560 119 2HB TRP 18 2HB TRP 18 41.066 6.799 -31.704 120 HD1 TRP 18 HD1 TRP 18 40.583 5.999 -28.065 121 HE1 TRP 18 HE1 TRP 18 42.776 6.411 -26.800 122 HE3 TRP 18 HE3 TRP 18 43.191 8.423 -31.734 123 HZ2 TRP 18 HZ2 TRP 18 45.296 7.610 -27.289 124 HZ3 TRP 18 HZ3 TRP 18 45.482 9.166 -31.258 125 HH2 TRP 18 HH2 TRP 18 46.513 8.769 -29.089 126 H LEU 19 H LEU 19 38.469 6.676 -29.490 127 HA LEU 19 HA LEU 19 37.578 8.737 -27.584 128 1HB LEU 19 1HB LEU 19 36.097 6.803 -29.154 129 2HB LEU 19 2HB LEU 19 35.776 6.616 -27.442 130 HG LEU 19 HG LEU 19 34.887 8.786 -27.254 131 1HD1 LEU 19 1HD1 LEU 19 36.597 9.985 -28.519 132 2HD1 LEU 19 2HD1 LEU 19 35.930 9.355 -30.024 133 3HD1 LEU 19 3HD1 LEU 19 34.978 10.456 -29.028 134 1HD2 LEU 19 1HD2 LEU 19 33.541 7.040 -28.524 135 2HD2 LEU 19 2HD2 LEU 19 33.033 8.720 -28.687 136 3HD2 LEU 19 3HD2 LEU 19 33.951 7.948 -29.979 137 H LYS 20 H LYS 20 37.062 7.962 -25.422 138 HA LYS 20 HA LYS 20 38.069 5.399 -24.586 139 1HB LYS 20 1HB LYS 20 40.012 7.235 -24.790 140 2HB LYS 20 2HB LYS 20 39.434 7.628 -23.178 141 1HG LYS 20 1HG LYS 20 39.656 5.067 -22.768 142 2HG LYS 20 2HG LYS 20 40.731 5.131 -24.167 143 1HD LYS 20 1HD LYS 20 42.130 5.401 -22.293 144 2HD LYS 20 2HD LYS 20 41.933 7.021 -22.962 145 1HE LYS 20 1HE LYS 20 41.622 7.378 -20.696 146 2HE LYS 20 2HE LYS 20 39.969 7.208 -21.285 147 1HZ LYS 20 1HZ LYS 20 41.290 4.763 -20.422 148 2HZ LYS 20 2HZ LYS 20 40.910 5.871 -19.203 149 3HZ LYS 20 3HZ LYS 20 39.689 5.265 -20.204 150 H THR 21 H THR 21 37.554 4.897 -22.403 151 HA THR 21 HA THR 21 35.631 6.764 -21.169 152 HB THR 21 HB THR 21 34.947 4.281 -20.179 153 HG1 THR 21 HG1 THR 21 35.114 3.900 -22.969 154 1HG2 THR 21 1HG2 THR 21 33.727 6.362 -21.503 155 2HG2 THR 21 2HG2 THR 21 33.473 5.001 -22.596 156 3HG2 THR 21 3HG2 THR 21 32.924 4.903 -20.924 157 H GLN 22 H GLN 22 35.527 6.798 -18.885 158 HA GLN 22 HA GLN 22 38.038 5.969 -17.612 159 1HB GLN 22 2HB GLN 22 37.653 7.679 -15.983 160 2HB GLN 22 1HB GLN 22 35.999 7.912 -16.530 161 1HG GLN 22 1HG GLN 22 37.432 8.390 -18.806 162 2HG GLN 22 2HG GLN 22 36.809 9.618 -17.702 163 2HE2 GLN 22 1HE2 GLN 22 38.233 10.432 -16.068 164 1HE2 GLN 22 2HE2 GLN 22 39.941 10.434 -16.328 165 H GLY 23 H GLY 23 35.000 4.808 -17.958 166 1HA GLY 23 1HA GLY 23 34.358 2.795 -16.824 167 2HA GLY 23 2HA GLY 23 35.173 3.393 -15.387 168 H ASN 24 H ASN 24 33.473 5.895 -16.771 169 HA ASN 24 HA ASN 24 30.874 5.299 -15.702 170 1HB ASN 24 1HB ASN 24 32.779 6.374 -13.928 171 2HB ASN 24 2HB ASN 24 31.707 7.707 -14.352 172 2HD2 ASN 24 1HD2 ASN 24 29.311 6.983 -14.380 173 1HD2 ASN 24 2HD2 ASN 24 28.802 6.093 -12.989 174 H LYS 25 H LYS 25 33.136 7.711 -16.925 175 HA LYS 25 HA LYS 25 30.887 8.996 -18.331 176 1HB LYS 25 1HB LYS 25 33.403 10.307 -17.283 177 2HB LYS 25 2HB LYS 25 32.155 11.113 -18.223 178 1HG LYS 25 1HG LYS 25 30.816 11.370 -16.452 179 2HG LYS 25 2HG LYS 25 31.154 9.751 -15.838 180 1HD LYS 25 1HD LYS 25 33.271 10.518 -14.919 181 2HD LYS 25 2HD LYS 25 32.993 12.130 -15.583 182 1HE LYS 25 1HE LYS 25 31.546 12.693 -13.950 183 2HE LYS 25 2HE LYS 25 30.828 11.084 -13.892 184 1HZ LYS 25 1HZ LYS 25 33.550 11.282 -12.904 185 2HZ LYS 25 2HZ LYS 25 32.382 12.079 -11.975 186 3HZ LYS 25 3HZ LYS 25 32.232 10.422 -12.285 187 H GLN 26 H GLN 26 32.303 10.635 -20.021 188 HA GLN 26 HA GLN 26 33.569 8.662 -21.780 189 1HB GLN 26 1HB GLN 26 32.046 11.184 -22.235 190 2HB GLN 26 2HB GLN 26 33.259 10.726 -23.424 191 1HG GLN 26 1HG GLN 26 30.939 9.970 -23.934 192 2HG GLN 26 2HG GLN 26 32.150 8.688 -23.900 193 2HE2 GLN 26 1HE2 GLN 26 30.536 10.303 -21.208 194 1HE2 GLN 26 2HE2 GLN 26 29.776 8.885 -20.578 195 H MET 27 H MET 27 35.360 9.455 -23.164 196 HA MET 27 HA MET 27 36.908 11.708 -22.407 197 1HB MET 27 1HB MET 27 37.240 9.974 -20.502 198 2HB MET 27 2HB MET 27 38.223 9.107 -21.674 199 1HG MET 27 1HG MET 27 39.007 11.849 -21.644 200 2HG MET 27 2HG MET 27 38.978 11.232 -19.993 201 1HE MET 27 1HE MET 27 41.029 10.553 -19.011 202 2HE MET 27 2HE MET 27 42.523 10.226 -19.889 203 3HE MET 27 3HE MET 27 41.739 11.799 -20.037 204 H LEU 28 H LEU 28 37.602 12.264 -24.369 205 HA LEU 28 HA LEU 28 38.304 10.165 -26.281 206 1HB LEU 28 2HB LEU 28 38.055 11.750 -27.990 207 2HB LEU 28 1HB LEU 28 38.180 13.097 -26.872 208 HG LEU 28 HG LEU 28 36.016 12.876 -26.162 209 1HD1 LEU 28 1HD1 LEU 28 36.178 12.031 -29.022 210 2HD1 LEU 28 2HD1 LEU 28 34.623 12.299 -28.233 211 3HD1 LEU 28 3HD1 LEU 28 35.788 13.619 -28.360 212 1HD2 LEU 28 1HD2 LEU 28 36.438 10.026 -26.669 213 2HD2 LEU 28 2HD2 LEU 28 35.541 10.832 -25.382 214 3HD2 LEU 28 3HD2 LEU 28 34.800 10.609 -26.966 215 H CYS 29 H CYS 29 40.253 10.021 -27.248 216 HA CYS 29 HA CYS 29 42.440 11.505 -25.949 217 1HB CYS 29 1HB CYS 29 42.255 8.746 -27.094 218 2HB CYS 29 2HB CYS 29 43.821 9.538 -26.962 219 H THR 30 H THR 30 44.076 12.436 -27.131 220 HA THR 30 HA THR 30 43.846 12.394 -30.059 221 HB THR 30 HB THR 30 44.088 14.929 -28.427 222 HG1 THR 30 HG1 THR 30 41.953 14.354 -28.465 223 1HG2 THR 30 1HG2 THR 30 45.404 14.943 -30.531 224 2HG2 THR 30 2HG2 THR 30 43.927 14.579 -31.422 225 3HG2 THR 30 3HG2 THR 30 44.074 16.101 -30.544 226 H CYS 31 H CYS 31 45.753 11.745 -30.818 227 HA CYS 31 HA CYS 31 48.170 12.174 -29.263 228 1HB CYS 31 1HB CYS 31 47.859 9.974 -30.261 229 2HB CYS 31 2HB CYS 31 47.697 10.683 -31.855 230 H LEU 32 H LEU 32 49.007 14.157 -29.426 231 HA LEU 32 HA LEU 32 48.785 15.713 -31.834 232 1HB LEU 32 1HB LEU 32 50.449 17.191 -30.388 233 2HB LEU 32 2HB LEU 32 48.720 17.158 -30.092 234 HG LEU 32 HG LEU 32 50.355 15.176 -28.612 235 1HD1 LEU 32 1HD1 LEU 32 51.303 17.740 -28.678 236 2HD1 LEU 32 2HD1 LEU 32 50.245 17.761 -27.267 237 3HD1 LEU 32 3HD1 LEU 32 51.555 16.586 -27.369 238 1HD2 LEU 32 1HD2 LEU 32 47.770 15.792 -28.550 239 2HD2 LEU 32 2HD2 LEU 32 48.645 15.258 -27.115 240 3HD2 LEU 32 3HD2 LEU 32 48.347 16.976 -27.377 241 H GLY 33 H GLY 33 51.731 15.180 -29.928 242 1HA GLY 33 1HA GLY 33 53.109 14.040 -32.205 243 2HA GLY 33 2HA GLY 33 53.618 15.667 -31.790 244 H ASN 34 H ASN 34 53.767 15.757 -29.161 245 HA ASN 34 HA ASN 34 56.011 14.049 -28.581 246 1HB ASN 34 1HB ASN 34 56.303 15.377 -26.602 247 2HB ASN 34 2HB ASN 34 55.892 16.470 -27.920 248 2HD2 ASN 34 1HD2 ASN 34 54.806 14.990 -24.973 249 1HD2 ASN 34 2HD2 ASN 34 53.443 16.020 -24.719 250 H GLY 35 H GLY 35 52.640 14.024 -27.986 251 1HA GLY 35 1HA GLY 35 52.748 11.452 -26.781 252 2HA GLY 35 2HA GLY 35 52.401 12.684 -25.577 253 H VAL 36 H VAL 36 50.339 11.777 -25.207 254 HA VAL 36 HA VAL 36 48.397 12.461 -27.303 255 HB VAL 36 HB VAL 36 48.819 9.860 -26.003 256 1HG1 VAL 36 1HG1 VAL 36 46.071 11.074 -26.078 257 2HG1 VAL 36 2HG1 VAL 36 46.326 9.331 -26.157 258 3HG1 VAL 36 3HG1 VAL 36 46.869 10.237 -24.745 259 1HG2 VAL 36 1HG2 VAL 36 48.811 10.620 -28.488 260 2HG2 VAL 36 2HG2 VAL 36 48.175 9.037 -28.042 261 3HG2 VAL 36 3HG2 VAL 36 47.071 10.377 -28.354 262 H SER 37 H SER 37 46.855 13.793 -26.660 263 HA SER 37 HA SER 37 46.409 14.128 -23.767 264 1HB SER 37 1HB SER 37 47.405 16.124 -24.716 265 2HB SER 37 2HB SER 37 46.196 16.160 -26.001 266 HG SER 37 HG SER 37 45.096 16.106 -23.502 267 H CYS 38 H CYS 38 44.567 13.182 -23.189 268 HA CYS 38 HA CYS 38 42.325 13.146 -25.077 269 1HB CYS 38 1HB CYS 38 42.265 11.673 -22.480 270 2HB CYS 38 2HB CYS 38 41.546 11.235 -24.017 271 H GLN 39 H GLN 39 40.224 13.766 -24.424 272 HA GLN 39 HA GLN 39 40.233 15.778 -22.286 273 1HB GLN 39 1HB GLN 39 38.202 15.401 -24.492 274 2HB GLN 39 2HB GLN 39 38.311 16.760 -23.382 275 1HG GLN 39 1HG GLN 39 40.813 16.608 -24.604 276 2HG GLN 39 2HG GLN 39 39.644 16.328 -25.892 277 2HE2 GLN 39 1HE2 GLN 39 37.965 17.914 -26.190 278 1HE2 GLN 39 2HE2 GLN 39 38.265 19.566 -25.782 279 H GLU 40 H GLU 40 39.486 15.077 -20.401 280 HA GLU 40 HA GLU 40 37.870 12.759 -20.119 281 1HB GLU 40 1HB GLU 40 37.714 13.481 -17.721 282 2HB GLU 40 2HB GLU 40 39.354 13.320 -18.333 283 1HG GLU 40 1HG GLU 40 38.107 15.995 -18.509 284 2HG GLU 40 2HG GLU 40 38.540 15.407 -16.904 285 H THR 41 H THR 41 35.849 12.728 -20.843 286 HA THR 41 HA THR 41 33.581 13.107 -20.648 287 HB THR 41 HB THR 41 34.355 14.556 -18.536 288 HG1 THR 41 HG1 THR 41 32.246 14.531 -18.089 289 1HG2 THR 41 1HG2 THR 41 34.570 16.529 -20.348 290 2HG2 THR 41 2HG2 THR 41 32.872 16.714 -19.912 291 3HG2 THR 41 3HG2 THR 41 34.118 16.808 -18.668 292 H ALA 42 H ALA 42 35.755 15.636 -21.722 293 HA ALA 42 HA ALA 42 35.857 16.584 -23.833 294 1HB ALA 42 1HB ALA 42 34.064 14.610 -24.323 295 2HB ALA 42 3HB ALA 42 34.586 15.805 -25.512 296 3HB ALA 42 2HB ALA 42 33.082 16.045 -24.623 297 H VAL 43 H VAL 43 33.098 16.958 -21.730 298 HA VAL 43 HA VAL 43 31.784 18.737 -21.184 299 HB VAL 43 HB VAL 43 32.911 20.798 -20.723 300 1HG1 VAL 43 1HG1 VAL 43 33.493 18.722 -19.399 301 2HG1 VAL 43 2HG1 VAL 43 34.990 18.660 -20.331 302 3HG1 VAL 43 3HG1 VAL 43 34.647 20.053 -19.304 303 1HG2 VAL 43 1HG2 VAL 43 34.095 20.699 -23.054 304 2HG2 VAL 43 2HG2 VAL 43 34.845 21.562 -21.712 305 3HG2 VAL 43 3HG2 VAL 43 35.396 19.942 -22.137 306 H THR 44 H THR 44 31.330 21.201 -21.957 307 HA THR 44 HA THR 44 31.480 21.649 -24.771 308 HB THR 44 HB THR 44 28.652 21.575 -24.313 309 HG1 THR 44 HG1 THR 44 28.720 19.106 -24.283 310 1HG2 THR 44 1HG2 THR 44 30.638 20.506 -26.234 311 2HG2 THR 44 2HG2 THR 44 29.067 19.706 -26.190 312 3HG2 THR 44 3HG2 THR 44 29.167 21.434 -26.524 313 H GLN 45 H GLN 45 30.366 23.633 -25.424 314 HA GLN 45 HA GLN 45 30.369 25.560 -23.251 315 1HB GLN 45 1HB GLN 45 30.256 25.842 -26.252 316 2HB GLN 45 2HB GLN 45 30.099 27.215 -25.164 317 1HG GLN 45 1HG GLN 45 32.397 25.715 -24.413 318 2HG GLN 45 2HG GLN 45 32.452 26.010 -26.149 319 2HE2 GLN 45 1HE2 GLN 45 33.636 27.714 -26.584 320 1HE2 GLN 45 2HE2 GLN 45 33.679 29.190 -25.686 321 H THR 46 H THR 46 28.209 24.955 -26.031 322 HA THR 46 HA THR 46 25.962 25.205 -26.294 323 HB THR 46 HB THR 46 24.661 24.878 -23.981 324 HG1 THR 46 HG1 THR 46 26.409 24.841 -22.605 325 1HG2 THR 46 1HG2 THR 46 25.578 23.196 -26.095 326 2HG2 THR 46 2HG2 THR 46 25.659 22.296 -24.579 327 3HG2 THR 46 3HG2 THR 46 24.137 23.022 -25.093 328 H TYR 47 H TYR 47 24.886 27.037 -26.643 329 HA TYR 47 HA TYR 47 25.028 29.143 -24.590 330 1HB TYR 47 1HB TYR 47 24.758 30.721 -26.609 331 2HB TYR 47 2HB TYR 47 26.337 29.995 -26.325 332 HD1 TYR 47 HD1 TYR 47 23.199 29.459 -28.273 333 HD2 TYR 47 HD2 TYR 47 27.412 28.903 -28.070 334 HE1 TYR 47 HE1 TYR 47 23.185 28.568 -30.564 335 HE2 TYR 47 HE2 TYR 47 27.410 28.013 -30.362 336 HH TYR 47 HH TYR 47 25.276 28.464 -32.511 337 H GLY 48 H GLY 48 23.056 27.668 -27.122 338 1HA GLY 48 1HA GLY 48 20.679 28.478 -25.672 339 2HA GLY 48 2HA GLY 48 20.840 29.142 -27.288 340 H GLY 49 H GLY 49 19.607 28.091 -28.682 341 1HA GLY 49 1HA GLY 49 19.025 26.240 -30.004 342 2HA GLY 49 2HA GLY 49 19.744 25.181 -28.802 343 H ASN 50 H ASN 50 17.863 23.850 -28.958 344 HA ASN 50 HA ASN 50 15.305 24.932 -28.183 345 1HB ASN 50 1HB ASN 50 16.235 22.570 -29.468 346 2HB ASN 50 2HB ASN 50 15.338 22.078 -28.035 347 2HD2 ASN 50 1HD2 ASN 50 13.610 21.255 -29.132 348 1HD2 ASN 50 2HD2 ASN 50 12.495 22.233 -30.018 349 H SER 51 H SER 51 17.953 24.452 -26.429 350 HA SER 51 HA SER 51 16.435 23.573 -24.065 351 1HB SER 51 1HB SER 51 19.225 22.873 -24.927 352 2HB SER 51 2HB SER 51 18.769 22.813 -23.225 353 HG SER 51 HG SER 51 17.041 21.577 -25.008 354 H ASN 52 H ASN 52 18.586 25.893 -25.463 355 HA ASN 52 HA ASN 52 19.189 27.967 -24.781 356 1HB ASN 52 1HB ASN 52 16.940 28.118 -23.795 357 2HB ASN 52 2HB ASN 52 17.548 27.367 -22.326 358 2HD2 ASN 52 1HD2 ASN 52 18.377 28.629 -20.793 359 1HD2 ASN 52 2HD2 ASN 52 18.725 30.312 -20.967 360 H GLY 53 H GLY 53 20.751 25.592 -24.226 361 1HA GLY 53 1HA GLY 53 22.878 25.351 -23.313 362 2HA GLY 53 2HA GLY 53 22.588 26.776 -22.328 363 H GLU 54 H GLU 54 23.021 23.501 -22.248 364 HA GLU 54 HA GLU 54 22.643 23.300 -19.480 365 1HB GLU 54 1HB GLU 54 20.581 22.435 -19.156 366 2HB GLU 54 2HB GLU 54 20.215 23.228 -20.680 367 1HG GLU 54 1HG GLU 54 20.450 21.195 -21.888 368 2HG GLU 54 2HG GLU 54 21.117 20.368 -20.482 369 HA PRO 55 HA PRO 55 25.147 19.723 -19.896 370 1HB PRO 55 1HB PRO 55 23.920 17.898 -18.229 371 2HB PRO 55 2HB PRO 55 24.987 19.196 -17.682 372 1HG PRO 55 2HG PRO 55 23.075 19.749 -16.493 373 2HG PRO 55 1HG PRO 55 21.999 19.096 -17.742 374 1HD PRO 55 1HD PRO 55 21.801 21.355 -18.224 375 2HD PRO 55 2HD PRO 55 23.450 21.715 -17.666 376 H CYS 56 H CYS 56 24.852 19.057 -22.004 377 HA CYS 56 HA CYS 56 22.623 17.861 -23.118 378 1HB CYS 56 1HB CYS 56 25.411 17.030 -23.883 379 2HB CYS 56 2HB CYS 56 23.995 17.202 -24.913 380 H VAL 57 H VAL 57 22.958 15.450 -24.087 381 HA VAL 57 HA VAL 57 23.513 13.676 -21.805 382 HB VAL 57 HB VAL 57 21.046 14.126 -22.124 383 1HG1 VAL 57 1HG1 VAL 57 21.629 13.682 -24.789 384 2HG1 VAL 57 2HG1 VAL 57 20.780 12.218 -24.291 385 3HG1 VAL 57 3HG1 VAL 57 20.024 13.793 -24.072 386 1HG2 VAL 57 1HG2 VAL 57 22.404 11.539 -21.925 387 2HG2 VAL 57 2HG2 VAL 57 21.154 12.247 -20.902 388 3HG2 VAL 57 3HG2 VAL 57 20.710 11.431 -22.401 389 H LEU 58 H LEU 58 25.520 13.772 -23.399 390 HA LEU 58 HA LEU 58 25.167 11.625 -25.378 391 1HB LEU 58 1HB LEU 58 27.601 12.732 -25.972 392 2HB LEU 58 2HB LEU 58 26.093 13.069 -26.797 393 HG LEU 58 HG LEU 58 27.298 15.119 -26.240 394 1HD1 LEU 58 1HD1 LEU 58 24.667 14.698 -26.014 395 2HD1 LEU 58 2HD1 LEU 58 25.016 15.273 -24.385 396 3HD1 LEU 58 3HD1 LEU 58 25.422 16.272 -25.780 397 1HD2 LEU 58 1HD2 LEU 58 27.508 13.818 -23.647 398 2HD2 LEU 58 2HD2 LEU 58 28.473 15.120 -24.343 399 3HD2 LEU 58 3HD2 LEU 58 26.949 15.487 -23.536 400 HA PRO 59 HA PRO 59 27.245 11.024 -26.808 401 1HB PRO 59 2HB PRO 59 28.565 9.353 -27.574 402 2HB PRO 59 1HB PRO 59 27.589 8.121 -26.777 403 1HG PRO 59 1HG PRO 59 29.467 7.968 -25.439 404 2HG PRO 59 2HG PRO 59 29.930 9.653 -25.741 405 1HD PRO 59 1HD PRO 59 27.893 8.559 -23.837 406 2HD PRO 59 2HD PRO 59 29.066 9.873 -23.597 407 H PHE 60 H PHE 60 25.451 10.832 -27.984 408 HA PHE 60 HA PHE 60 23.313 9.065 -26.986 409 1HB PHE 60 1HB PHE 60 21.786 10.719 -28.212 410 2HB PHE 60 2HB PHE 60 22.538 11.282 -26.722 411 HD1 PHE 60 HD1 PHE 60 22.991 11.312 -30.413 412 HD2 PHE 60 HD2 PHE 60 23.723 13.261 -26.703 413 HE1 PHE 60 HE1 PHE 60 23.933 13.240 -31.617 414 HE2 PHE 60 HE2 PHE 60 24.666 15.195 -27.900 415 HZ PHE 60 HZ PHE 60 24.773 15.184 -30.361 416 H THR 61 H THR 61 21.601 8.915 -28.983 417 HA THR 61 HA THR 61 23.156 8.084 -31.342 418 HB THR 61 HB THR 61 20.714 6.527 -30.780 419 HG1 THR 61 HG1 THR 61 21.618 6.644 -28.680 420 1HG2 THR 61 1HG2 THR 61 22.212 6.053 -32.670 421 2HG2 THR 61 2HG2 THR 61 23.532 5.751 -31.540 422 3HG2 THR 61 3HG2 THR 61 22.125 4.690 -31.555 423 H TYR 62 H TYR 62 22.523 9.100 -33.108 424 HA TYR 62 HA TYR 62 19.680 9.727 -33.460 425 1HB TYR 62 1HB TYR 62 20.597 11.804 -32.699 426 2HB TYR 62 2HB TYR 62 21.982 11.655 -33.775 427 HD1 TYR 62 HD1 TYR 62 18.249 11.813 -33.942 428 HD2 TYR 62 HD2 TYR 62 21.960 12.851 -35.744 429 HE1 TYR 62 HE1 TYR 62 17.047 13.093 -35.665 430 HE2 TYR 62 HE2 TYR 62 20.771 14.132 -37.469 431 HH TYR 62 HH TYR 62 17.651 13.809 -38.181 432 H ASN 63 H ASN 63 18.931 9.236 -35.427 433 HA ASN 63 HA ASN 63 18.852 8.587 -37.605 434 1HB ASN 63 1HB ASN 63 20.752 10.606 -37.565 435 2HB ASN 63 2HB ASN 63 21.574 9.282 -38.385 436 2HD2 ASN 63 1HD2 ASN 63 19.911 11.954 -38.963 437 1HD2 ASN 63 2HD2 ASN 63 19.116 11.535 -40.438 438 H GLY 64 H GLY 64 20.549 7.166 -35.327 439 1HA GLY 64 1HA GLY 64 20.906 4.789 -35.436 440 2HA GLY 64 2HA GLY 64 21.396 4.983 -37.112 441 H ARG 65 H ARG 65 22.930 7.474 -35.987 442 HA ARG 65 HA ARG 65 25.351 5.938 -35.397 443 1HB ARG 65 1HB ARG 65 26.559 8.031 -35.901 444 2HB ARG 65 2HB ARG 65 25.540 7.509 -37.233 445 1HG ARG 65 1HG ARG 65 24.166 9.325 -35.434 446 2HG ARG 65 2HG ARG 65 25.627 10.026 -36.136 447 1HD ARG 65 1HD ARG 65 23.778 8.546 -37.928 448 2HD ARG 65 2HD ARG 65 23.287 10.144 -37.371 449 HE ARG 65 HE ARG 65 25.710 10.694 -38.255 450 1HH1 ARG 65 1HH1 ARG 65 23.238 8.705 -39.697 451 2HH1 ARG 65 2HH1 ARG 65 23.769 8.998 -41.319 452 1HH2 ARG 65 1HH2 ARG 65 26.414 11.084 -40.387 453 2HH2 ARG 65 2HH2 ARG 65 25.573 10.349 -41.712 454 H THR 66 H THR 66 26.868 7.821 -34.083 455 HA THR 66 HA THR 66 25.367 8.536 -31.676 456 HB THR 66 HB THR 66 27.921 6.918 -31.583 457 HG1 THR 66 HG1 THR 66 25.984 5.726 -32.177 458 1HG2 THR 66 1HG2 THR 66 27.333 8.667 -29.743 459 2HG2 THR 66 2HG2 THR 66 26.127 7.477 -29.252 460 3HG2 THR 66 3HG2 THR 66 27.836 7.044 -29.268 461 H PHE 67 H PHE 67 26.264 10.213 -30.462 462 HA PHE 67 HA PHE 67 28.724 11.436 -31.487 463 1HB PHE 67 1HB PHE 67 26.400 13.198 -30.795 464 2HB PHE 67 2HB PHE 67 27.792 13.541 -31.817 465 HD1 PHE 67 HD1 PHE 67 24.985 11.070 -31.747 466 HD2 PHE 67 HD2 PHE 67 27.335 13.782 -34.039 467 HE1 PHE 67 HE1 PHE 67 23.646 10.541 -33.742 468 HE2 PHE 67 HE2 PHE 67 25.998 13.257 -36.036 469 HZ PHE 67 HZ PHE 67 24.152 11.636 -35.890 470 H TYR 68 H TYR 68 30.084 11.694 -29.859 471 HA TYR 68 HA TYR 68 29.288 11.479 -27.132 472 1HB TYR 68 1HB TYR 68 31.855 11.980 -28.579 473 2HB TYR 68 2HB TYR 68 31.779 12.352 -26.860 474 HD1 TYR 68 HD1 TYR 68 30.081 9.557 -28.617 475 HD2 TYR 68 HD2 TYR 68 33.201 10.707 -25.965 476 HE1 TYR 68 HE1 TYR 68 30.496 7.192 -28.092 477 HE2 TYR 68 HE2 TYR 68 33.633 8.345 -25.436 478 HH TYR 68 HH TYR 68 33.007 6.236 -25.767 479 H SER 69 H SER 69 29.288 14.043 -29.320 480 HA SER 69 HA SER 69 28.679 15.918 -27.190 481 1HB SER 69 1HB SER 69 31.155 16.096 -27.587 482 2HB SER 69 2HB SER 69 30.795 16.609 -29.236 483 HG SER 69 HG SER 69 30.779 18.512 -28.307 484 H CYS 70 H CYS 70 28.613 18.240 -28.651 485 HA CYS 70 HA CYS 70 26.152 18.180 -29.884 486 1HB CYS 70 2HB CYS 70 26.558 20.398 -30.561 487 2HB CYS 70 1HB CYS 70 28.289 20.126 -30.720 488 H THR 71 H THR 71 25.824 18.956 -32.257 489 HA THR 71 HA THR 71 27.589 18.193 -34.290 490 HB THR 71 HB THR 71 27.038 15.908 -33.283 491 HG1 THR 71 HG1 THR 71 27.579 16.620 -35.677 492 1HG2 THR 71 1HG2 THR 71 24.573 16.464 -33.068 493 2HG2 THR 71 2HG2 THR 71 24.466 16.246 -34.815 494 3HG2 THR 71 3HG2 THR 71 24.953 14.898 -33.786 495 H THR 72 H THR 72 26.494 18.049 -36.440 496 HA THR 72 HA THR 72 23.891 19.421 -36.442 497 HB THR 72 HB THR 72 24.775 20.590 -38.573 498 HG1 THR 72 HG1 THR 72 26.754 19.406 -38.671 499 1HG2 THR 72 1HG2 THR 72 24.629 21.346 -35.921 500 2HG2 THR 72 2HG2 THR 72 26.263 21.813 -36.390 501 3HG2 THR 72 3HG2 THR 72 24.878 22.424 -37.294 502 H GLU 73 H GLU 73 23.129 17.196 -36.797 503 HA GLU 73 HA GLU 73 23.310 16.480 -39.645 504 1HB GLU 73 1HB GLU 73 23.642 14.712 -37.245 505 2HB GLU 73 2HB GLU 73 23.011 14.049 -38.747 506 1HG GLU 73 1HG GLU 73 25.533 15.629 -38.811 507 2HG GLU 73 2HG GLU 73 25.566 13.973 -38.206 508 H GLY 74 H GLY 74 21.324 17.661 -37.421 509 1HA GLY 74 1HA GLY 74 18.995 16.247 -38.555 510 2HA GLY 74 2HA GLY 74 19.086 16.603 -36.839 511 H ARG 75 H ARG 75 20.513 19.146 -38.399 512 HA ARG 75 HA ARG 75 17.984 20.646 -38.387 513 1HB ARG 75 1HB ARG 75 20.067 22.504 -38.335 514 2HB ARG 75 2HB ARG 75 19.020 22.047 -37.003 515 1HG ARG 75 2HG ARG 75 20.833 20.081 -36.824 516 2HG ARG 75 1HG ARG 75 20.976 21.625 -35.990 517 1HD ARG 75 1HD ARG 75 22.710 22.292 -37.240 518 2HD ARG 75 2HD ARG 75 22.895 20.573 -37.573 519 HE ARG 75 HE ARG 75 21.874 22.610 -39.384 520 1HH1 ARG 75 1HH1 ARG 75 22.399 19.224 -38.751 521 2HH1 ARG 75 2HH1 ARG 75 22.336 18.771 -40.421 522 1HH2 ARG 75 1HH2 ARG 75 21.791 22.022 -41.583 523 2HH2 ARG 75 2HH2 ARG 75 21.988 20.361 -42.030 524 H GLN 76 H GLN 76 18.413 22.825 -39.736 525 HA GLN 76 HA GLN 76 19.456 22.004 -42.364 526 1HB GLN 76 1HB GLN 76 17.609 22.909 -43.475 527 2HB GLN 76 2HB GLN 76 16.898 22.087 -42.093 528 1HG GLN 76 1HG GLN 76 16.537 24.123 -40.949 529 2HG GLN 76 2HG GLN 76 17.535 25.021 -42.090 530 2HE2 GLN 76 1HE2 GLN 76 15.285 22.564 -43.089 531 1HE2 GLN 76 2HE2 GLN 76 14.148 23.626 -43.841 532 H ASP 77 H ASP 77 20.108 23.913 -39.884 533 HA ASP 77 HA ASP 77 20.698 26.322 -41.441 534 1HB ASP 77 1HB ASP 77 19.837 25.905 -38.783 535 2HB ASP 77 2HB ASP 77 21.478 26.537 -38.685 536 H GLY 78 H GLY 78 22.330 24.369 -38.956 537 1HA GLY 78 1HA GLY 78 24.493 23.347 -39.850 538 2HA GLY 78 2HA GLY 78 24.891 25.006 -40.271 539 H HIS 79 H HIS 79 23.165 25.285 -37.534 540 HA HIS 79 HA HIS 79 25.506 25.769 -35.939 541 1HB HIS 79 1HB HIS 79 22.681 25.815 -34.907 542 2HB HIS 79 2HB HIS 79 24.062 26.769 -34.374 543 HD1 HIS 79 HD1 HIS 79 24.561 27.290 -37.677 544 HD2 HIS 79 HD2 HIS 79 21.410 28.403 -35.207 545 HE1 HIS 79 HE1 HIS 79 23.464 29.240 -38.825 546 HE2 HIS 79 HE2 HIS 79 21.616 29.953 -37.268 547 H LEU 80 H LEU 80 26.521 24.285 -34.783 548 HA LEU 80 HA LEU 80 25.810 21.646 -34.472 549 1HB LEU 80 1HB LEU 80 27.646 23.494 -33.051 550 2HB LEU 80 2HB LEU 80 27.246 22.003 -32.222 551 HG LEU 80 HG LEU 80 27.984 20.783 -34.324 552 1HD1 LEU 80 1HD1 LEU 80 27.992 23.260 -35.447 553 2HD1 LEU 80 2HD1 LEU 80 29.700 23.036 -35.070 554 3HD1 LEU 80 3HD1 LEU 80 28.859 21.863 -36.083 555 1HD2 LEU 80 1HD2 LEU 80 29.438 21.846 -32.145 556 2HD2 LEU 80 2HD2 LEU 80 29.791 20.403 -33.097 557 3HD2 LEU 80 3HD2 LEU 80 30.466 21.962 -33.574 558 H TRP 81 H TRP 81 24.780 20.435 -32.869 559 HA TRP 81 HA TRP 81 23.472 21.888 -30.707 560 1HB TRP 81 1HB TRP 81 21.288 20.837 -31.206 561 2HB TRP 81 2HB TRP 81 21.817 21.926 -32.484 562 HD1 TRP 81 HD1 TRP 81 22.343 20.874 -34.856 563 HE1 TRP 81 HE1 TRP 81 21.863 18.566 -35.887 564 HE3 TRP 81 HE3 TRP 81 21.140 18.311 -30.597 565 HZ2 TRP 81 HZ2 TRP 81 21.077 15.999 -35.014 566 HZ3 TRP 81 HZ3 TRP 81 20.535 15.933 -30.783 567 HH2 TRP 81 HH2 TRP 81 20.505 14.803 -32.947 568 H CYS 82 H CYS 82 22.587 20.489 -29.041 569 HA CYS 82 HA CYS 82 23.587 17.734 -29.084 570 1HB CYS 82 1HB CYS 82 24.728 17.905 -27.046 571 2HB CYS 82 2HB CYS 82 25.173 19.385 -27.890 572 H SER 83 H SER 83 22.409 16.277 -27.844 573 HA SER 83 HA SER 83 19.704 17.111 -27.256 574 1HB SER 83 1HB SER 83 19.455 15.037 -28.119 575 2HB SER 83 2HB SER 83 21.103 14.565 -27.706 576 HG SER 83 HG SER 83 18.756 14.371 -26.193 577 H THR 84 H THR 84 18.762 17.303 -25.286 578 HA THR 84 HA THR 84 20.555 17.165 -22.971 579 HB THR 84 HB THR 84 18.930 18.567 -21.806 580 HG1 THR 84 HG1 THR 84 17.415 18.062 -24.128 581 1HG2 THR 84 1HG2 THR 84 20.657 19.644 -23.200 582 2HG2 THR 84 2HG2 THR 84 19.531 19.654 -24.559 583 3HG2 THR 84 3HG2 THR 84 19.177 20.601 -23.114 584 H THR 85 H THR 85 18.555 15.130 -24.459 585 HA THR 85 HA THR 85 17.936 13.722 -21.990 586 HB THR 85 HB THR 85 15.919 14.969 -23.713 587 HG1 THR 85 HG1 THR 85 15.737 13.721 -21.158 588 1HG2 THR 85 1HG2 THR 85 15.773 12.558 -24.463 589 2HG2 THR 85 2HG2 THR 85 15.332 12.154 -22.803 590 3HG2 THR 85 3HG2 THR 85 14.305 13.225 -23.754 591 H SER 86 H SER 86 18.169 11.559 -22.157 592 HA SER 86 HA SER 86 19.632 10.367 -24.113 593 1HB SER 86 1HB SER 86 17.944 9.439 -21.932 594 2HB SER 86 2HB SER 86 17.942 8.308 -23.285 595 HG SER 86 HG SER 86 19.698 8.248 -21.544 596 H ASN 87 H ASN 87 16.084 10.232 -23.878 597 HA ASN 87 HA ASN 87 15.875 9.140 -26.547 598 1HB ASN 87 1HB ASN 87 14.234 9.214 -24.227 599 2HB ASN 87 2HB ASN 87 13.345 10.001 -25.528 600 2HD2 ASN 87 1HD2 ASN 87 11.998 8.029 -25.019 601 1HD2 ASN 87 2HD2 ASN 87 12.330 6.608 -25.944 602 H TYR 88 H TYR 88 16.898 10.950 -27.641 603 HA TYR 88 HA TYR 88 15.669 13.534 -27.615 604 1HB TYR 88 1HB TYR 88 17.961 13.553 -28.148 605 2HB TYR 88 2HB TYR 88 17.793 12.239 -29.308 606 HD1 TYR 88 HD1 TYR 88 16.893 12.667 -31.547 607 HD2 TYR 88 HD2 TYR 88 17.484 15.832 -28.767 608 HE1 TYR 88 HE1 TYR 88 16.689 14.301 -33.373 609 HE2 TYR 88 HE2 TYR 88 17.282 17.474 -30.584 610 HH TYR 88 HH TYR 88 16.667 16.447 -33.931 611 H GLU 89 H GLU 89 15.147 10.587 -29.297 612 HA GLU 89 HA GLU 89 13.795 11.750 -31.546 613 1HB GLU 89 1HB GLU 89 14.094 8.936 -30.522 614 2HB GLU 89 2HB GLU 89 13.048 9.315 -31.884 615 1HG GLU 89 1HG GLU 89 15.272 10.527 -32.718 616 2HG GLU 89 2HG GLU 89 15.995 9.279 -31.704 617 H GLN 90 H GLN 90 12.982 11.449 -28.360 618 HA GLN 90 HA GLN 90 10.108 11.228 -28.954 619 1HB GLN 90 1HB GLN 90 10.429 9.521 -27.448 620 2HB GLN 90 2HB GLN 90 11.773 10.330 -26.656 621 1HG GLN 90 1HG GLN 90 10.004 10.253 -25.098 622 2HG GLN 90 2HG GLN 90 10.106 11.920 -25.666 623 2HE2 GLN 90 1HE2 GLN 90 8.077 12.623 -25.480 624 1HE2 GLN 90 2HE2 GLN 90 6.699 11.893 -26.225 625 H ASP 91 H ASP 91 12.443 12.879 -26.859 626 HA ASP 91 HA ASP 91 10.551 14.918 -26.120 627 1HB ASP 91 1HB ASP 91 12.665 13.966 -24.826 628 2HB ASP 91 2HB ASP 91 13.484 15.267 -25.686 629 H GLN 92 H GLN 92 13.422 14.719 -28.184 630 HA GLN 92 HA GLN 92 14.072 15.951 -29.984 631 1HB GLN 92 1HB GLN 92 11.340 17.219 -29.730 632 2HB GLN 92 2HB GLN 92 12.434 17.432 -31.089 633 1HG GLN 92 1HG GLN 92 11.988 14.637 -30.554 634 2HG GLN 92 2HG GLN 92 10.465 15.492 -30.793 635 2HE2 GLN 92 1HE2 GLN 92 12.392 13.616 -32.387 636 1HE2 GLN 92 2HE2 GLN 92 12.378 14.327 -33.962 637 H LYS 93 H LYS 93 13.879 16.987 -26.989 638 HA LYS 93 HA LYS 93 14.369 19.813 -27.492 639 1HB LYS 93 1HB LYS 93 13.777 20.184 -25.351 640 2HB LYS 93 2HB LYS 93 13.116 18.559 -25.433 641 1HG LYS 93 1HG LYS 93 15.916 19.112 -24.511 642 2HG LYS 93 2HG LYS 93 14.530 19.118 -23.420 643 1HD LYS 93 1HD LYS 93 14.309 16.771 -24.936 644 2HD LYS 93 2HD LYS 93 16.006 16.889 -24.471 645 1HE LYS 93 1HE LYS 93 13.798 17.308 -22.481 646 2HE LYS 93 2HE LYS 93 14.381 15.691 -22.873 647 1HZ LYS 93 1HZ LYS 93 16.495 17.545 -22.291 648 2HZ LYS 93 2HZ LYS 93 15.431 17.342 -20.993 649 3HZ LYS 93 3HZ LYS 93 16.213 16.000 -21.661 650 H TYR 94 H TYR 94 16.300 20.378 -28.127 651 HA TYR 94 HA TYR 94 18.653 19.079 -26.922 652 1HB TYR 94 1HB TYR 94 19.819 19.362 -29.059 653 2HB TYR 94 2HB TYR 94 18.364 18.394 -29.266 654 HD1 TYR 94 HD1 TYR 94 19.895 21.686 -29.895 655 HD2 TYR 94 HD2 TYR 94 16.539 19.172 -30.617 656 HE1 TYR 94 HE1 TYR 94 19.135 23.218 -31.665 657 HE2 TYR 94 HE2 TYR 94 15.771 20.692 -32.388 658 HH TYR 94 HH TYR 94 16.051 22.737 -33.309 659 H SER 95 H SER 95 20.620 20.638 -27.938 660 HA SER 95 HA SER 95 19.992 23.422 -27.331 661 1HB SER 95 1HB SER 95 22.465 22.851 -26.035 662 2HB SER 95 2HB SER 95 20.958 23.402 -25.306 663 HG SER 95 HG SER 95 21.257 21.502 -24.340 664 H PHE 96 H PHE 96 21.835 24.875 -27.909 665 HA PHE 96 HA PHE 96 23.113 23.858 -30.326 666 1HB PHE 96 1HB PHE 96 22.551 26.595 -29.251 667 2HB PHE 96 2HB PHE 96 23.778 26.379 -30.493 668 HD1 PHE 96 HD1 PHE 96 22.443 24.157 -32.028 669 HD2 PHE 96 HD2 PHE 96 20.943 27.810 -30.442 670 HE1 PHE 96 HE1 PHE 96 20.695 24.183 -33.755 671 HE2 PHE 96 HE2 PHE 96 19.190 27.842 -32.168 672 HZ PHE 96 HZ PHE 96 19.064 26.024 -33.826 673 H CYS 97 H CYS 97 25.328 25.039 -30.752 674 HA CYS 97 HA CYS 97 27.039 25.253 -28.444 675 1HB CYS 97 2HB CYS 97 28.535 23.435 -29.028 676 2HB CYS 97 1HB CYS 97 27.556 23.036 -30.436 677 H THR 98 H THR 98 29.183 25.998 -28.991 678 HA THR 98 HA THR 98 29.180 27.860 -31.110 679 HB THR 98 HB THR 98 31.645 28.098 -30.497 680 HG1 THR 98 HG1 THR 98 31.048 26.628 -28.183 681 1HG2 THR 98 1HG2 THR 98 29.346 29.041 -29.284 682 2HG2 THR 98 2HG2 THR 98 30.314 28.444 -27.937 683 3HG2 THR 98 3HG2 THR 98 30.980 29.654 -29.034 684 H ASP 99 H ASP 99 32.252 26.443 -31.131 685 HA ASP 99 HA ASP 99 33.366 25.068 -32.574 686 1HB ASP 99 1HB ASP 99 31.245 23.636 -32.429 687 2HB ASP 99 2HB ASP 99 30.758 24.409 -33.934 688 H HIS 100 H HIS 100 30.639 26.693 -34.206 689 HA HIS 100 HA HIS 100 30.550 27.835 -36.190 690 1HB HIS 100 1HB HIS 100 31.889 29.280 -34.381 691 2HB HIS 100 2HB HIS 100 33.170 29.111 -35.578 692 HD1 HIS 100 HD1 HIS 100 30.403 29.149 -37.659 693 HD2 HIS 100 HD2 HIS 100 32.196 32.082 -35.324 694 HE1 HIS 100 HE1 HIS 100 29.664 31.340 -38.648 695 HE2 HIS 100 HE2 HIS 100 30.698 33.100 -37.172 696 H THR 101 H THR 101 32.691 28.903 -37.747 697 HA THR 101 HA THR 101 33.668 26.413 -38.968 698 HB THR 101 HB THR 101 34.177 28.272 -40.861 699 HG1 THR 101 HG1 THR 101 31.666 29.150 -39.968 700 1HG2 THR 101 1HG2 THR 101 32.332 26.187 -40.460 701 2HG2 THR 101 2HG2 THR 101 31.409 27.547 -41.098 702 3HG2 THR 101 3HG2 THR 101 32.802 26.932 -41.988 No H/Q in entry = 702 Start of MODEL 51 1 H1 TYR 1 H1 TYR 1 50.217 8.752 -44.508 2 H2 TYR 1 H2 TYR 1 50.942 9.830 -43.424 3 H3 TYR 1 H3 TYR 1 51.698 8.361 -43.793 4 HA TYR 1 HA TYR 1 50.190 7.103 -42.595 5 1HB TYR 1 1HB TYR 1 51.313 9.507 -41.395 6 2HB TYR 1 2HB TYR 1 49.897 8.938 -40.517 7 HD1 TYR 1 HD1 TYR 1 52.128 6.648 -42.325 8 HD2 TYR 1 HD2 TYR 1 51.133 8.318 -38.540 9 HE1 TYR 1 HE1 TYR 1 53.509 4.943 -41.215 10 HE2 TYR 1 HE2 TYR 1 52.512 6.618 -37.420 11 HH TYR 1 HH TYR 1 53.483 3.856 -38.773 12 H GLY 2 H GLY 2 48.114 6.628 -42.006 13 1HA GLY 2 1HA GLY 2 46.111 8.756 -42.013 14 2HA GLY 2 2HA GLY 2 45.920 7.478 -43.205 15 H HIS 3 H HIS 3 45.665 5.276 -42.413 16 HA HIS 3 HA HIS 3 43.637 4.804 -40.749 17 1HB HIS 3 1HB HIS 3 45.960 3.225 -41.591 18 2HB HIS 3 2HB HIS 3 45.239 2.669 -40.086 19 HD1 HIS 3 HD1 HIS 3 44.908 2.371 -43.661 20 HD2 HIS 3 HD2 HIS 3 42.329 2.168 -40.410 21 HE1 HIS 3 HE1 HIS 3 42.853 1.194 -44.507 22 HE2 HIS 3 HE2 HIS 3 41.346 0.998 -42.498 23 H CYS 4 H CYS 4 43.150 4.988 -38.655 24 HA CYS 4 HA CYS 4 45.352 5.549 -36.778 25 1HB CYS 4 1HB CYS 4 43.251 6.467 -35.416 26 2HB CYS 4 2HB CYS 4 44.092 7.449 -36.603 27 H VAL 5 H VAL 5 45.774 4.027 -35.330 28 HA VAL 5 HA VAL 5 43.576 2.403 -34.278 29 HB VAL 5 HB VAL 5 44.463 0.983 -35.990 30 1HG1 VAL 5 1HG1 VAL 5 47.156 1.641 -34.815 31 2HG1 VAL 5 2HG1 VAL 5 46.885 0.313 -35.942 32 3HG1 VAL 5 3HG1 VAL 5 46.575 1.973 -36.448 33 1HG2 VAL 5 1HG2 VAL 5 43.973 0.033 -33.705 34 2HG2 VAL 5 2HG2 VAL 5 45.037 -0.938 -34.723 35 3HG2 VAL 5 3HG2 VAL 5 45.713 0.039 -33.420 36 H THR 6 H THR 6 43.972 1.509 -32.214 37 HA THR 6 HA THR 6 46.267 2.717 -30.812 38 HB THR 6 HB THR 6 44.984 3.175 -28.955 39 HG1 THR 6 HG1 THR 6 42.851 2.074 -28.712 40 1HG2 THR 6 1HG2 THR 6 44.073 4.204 -31.216 41 2HG2 THR 6 2HG2 THR 6 42.643 3.263 -30.793 42 3HG2 THR 6 3HG2 THR 6 43.252 4.490 -29.683 43 H ASP 7 H ASP 7 45.916 1.360 -28.389 44 HA ASP 7 HA ASP 7 47.126 -1.167 -29.066 45 1HB ASP 7 1HB ASP 7 47.579 0.532 -27.045 46 2HB ASP 7 2HB ASP 7 46.428 -0.534 -26.247 47 H SER 8 H SER 8 43.987 -0.181 -28.814 48 HA SER 8 HA SER 8 42.957 -2.557 -27.505 49 1HB SER 8 1HB SER 8 41.775 -0.017 -28.554 50 2HB SER 8 2HB SER 8 40.726 -1.420 -28.353 51 HG SER 8 HG SER 8 41.155 0.184 -26.506 52 H GLY 9 H GLY 9 43.738 -1.500 -30.661 53 1HA GLY 9 1HA GLY 9 43.901 -3.143 -32.421 54 2HA GLY 9 2HA GLY 9 42.471 -3.923 -31.762 55 H VAL 10 H VAL 10 41.193 -1.239 -31.386 56 HA VAL 10 HA VAL 10 39.556 -1.144 -33.575 57 HB VAL 10 HB VAL 10 40.330 1.432 -32.251 58 1HG1 VAL 10 1HG1 VAL 10 37.930 0.273 -33.563 59 2HG1 VAL 10 2HG1 VAL 10 37.688 1.451 -32.273 60 3HG1 VAL 10 3HG1 VAL 10 38.628 1.887 -33.700 61 1HG2 VAL 10 1HG2 VAL 10 39.281 -0.984 -30.941 62 2HG2 VAL 10 2HG2 VAL 10 40.128 0.402 -30.257 63 3HG2 VAL 10 3HG2 VAL 10 38.401 0.504 -30.597 64 H VAL 11 H VAL 11 40.249 -1.118 -35.625 65 HA VAL 11 HA VAL 11 42.491 0.548 -36.416 66 HB VAL 11 HB VAL 11 40.790 -1.327 -38.063 67 1HG1 VAL 11 1HG1 VAL 11 42.292 0.729 -39.010 68 2HG1 VAL 11 2HG1 VAL 11 43.469 -0.585 -38.999 69 3HG1 VAL 11 3HG1 VAL 11 41.960 -0.760 -39.895 70 1HG2 VAL 11 1HG2 VAL 11 43.382 -1.656 -36.597 71 2HG2 VAL 11 2HG2 VAL 11 41.957 -2.694 -36.582 72 3HG2 VAL 11 3HG2 VAL 11 43.001 -2.650 -38.003 73 H TYR 12 H TYR 12 41.379 2.560 -35.940 74 HA TYR 12 HA TYR 12 39.090 3.380 -37.435 75 1HB TYR 12 1HB TYR 12 41.155 4.967 -35.898 76 2HB TYR 12 2HB TYR 12 39.702 5.662 -36.599 77 HD1 TYR 12 HD1 TYR 12 37.456 4.515 -35.832 78 HD2 TYR 12 HD2 TYR 12 41.138 4.308 -33.715 79 HE1 TYR 12 HE1 TYR 12 36.227 3.984 -33.764 80 HE2 TYR 12 HE2 TYR 12 39.923 3.773 -31.639 81 HH TYR 12 HH TYR 12 36.418 3.299 -31.630 82 H SER 13 H SER 13 39.457 5.688 -38.584 83 HA SER 13 HA SER 13 41.764 5.507 -40.373 84 1HB SER 13 1HB SER 13 38.884 5.710 -41.238 85 2HB SER 13 2HB SER 13 40.233 6.155 -42.287 86 HG SER 13 HG SER 13 39.529 3.969 -42.567 87 H VAL 14 H VAL 14 42.183 7.493 -41.542 88 HA VAL 14 HA VAL 14 42.470 9.681 -39.986 89 HB VAL 14 HB VAL 14 43.029 10.919 -41.910 90 1HG1 VAL 14 1HG1 VAL 14 44.330 8.804 -41.445 91 2HG1 VAL 14 2HG1 VAL 14 43.437 8.068 -42.778 92 3HG1 VAL 14 3HG1 VAL 14 44.484 9.459 -43.075 93 1HG2 VAL 14 1HG2 VAL 14 40.993 9.218 -43.270 94 2HG2 VAL 14 2HG2 VAL 14 41.244 10.961 -43.357 95 3HG2 VAL 14 3HG2 VAL 14 42.329 9.871 -44.220 96 H GLY 15 H GLY 15 40.643 10.127 -38.731 97 1HA GLY 15 1HA GLY 15 39.109 12.110 -38.787 98 2HA GLY 15 2HA GLY 15 38.408 11.367 -40.212 99 H MET 16 H MET 16 38.951 8.726 -38.519 100 HA MET 16 HA MET 16 36.257 8.711 -37.435 101 1HB MET 16 1HB MET 16 38.243 6.444 -37.407 102 2HB MET 16 2HB MET 16 36.495 6.344 -37.256 103 1HG MET 16 1HG MET 16 36.591 7.471 -39.645 104 2HG MET 16 2HG MET 16 38.179 6.707 -39.668 105 1HE MET 16 1HE MET 16 37.648 4.529 -37.705 106 2HE MET 16 2HE MET 16 35.919 4.243 -37.504 107 3HE MET 16 3HE MET 16 36.897 3.112 -38.440 108 H GLN 17 H GLN 17 36.413 10.026 -35.622 109 HA GLN 17 HA GLN 17 38.406 9.632 -33.612 110 1HB GLN 17 2HB GLN 17 37.563 11.494 -32.637 111 2HB GLN 17 1HB GLN 17 35.898 10.957 -32.810 112 1HG GLN 17 1HG GLN 17 37.543 12.032 -35.083 113 2HG GLN 17 2HG GLN 17 35.810 11.704 -35.068 114 2HE2 GLN 17 1HE2 GLN 17 35.487 12.773 -32.372 115 1HE2 GLN 17 2HE2 GLN 17 35.564 14.492 -32.528 116 H TRP 18 H TRP 18 37.061 9.679 -31.230 117 HA TRP 18 HA TRP 18 35.022 7.813 -30.884 118 1HB TRP 18 2HB TRP 18 36.626 6.187 -31.780 119 2HB TRP 18 1HB TRP 18 36.242 5.841 -30.098 120 HD1 TRP 18 HD1 TRP 18 38.189 6.151 -28.293 121 HE1 TRP 18 HE1 TRP 18 40.738 6.307 -28.536 122 HE3 TRP 18 HE3 TRP 18 38.483 7.094 -33.318 123 HZ2 TRP 18 HZ2 TRP 18 42.638 6.778 -30.587 124 HZ3 TRP 18 HZ3 TRP 18 40.701 7.381 -34.334 125 HH2 TRP 18 HH2 TRP 18 42.732 7.224 -32.995 126 H LEU 19 H LEU 19 35.665 6.614 -28.503 127 HA LEU 19 HA LEU 19 36.495 8.819 -26.749 128 1HB LEU 19 1HB LEU 19 33.908 8.315 -27.020 129 2HB LEU 19 2HB LEU 19 34.271 7.027 -25.890 130 HG LEU 19 HG LEU 19 35.248 8.787 -24.357 131 1HD1 LEU 19 1HD1 LEU 19 35.289 10.452 -26.389 132 2HD1 LEU 19 2HD1 LEU 19 33.647 10.807 -25.851 133 3HD1 LEU 19 3HD1 LEU 19 35.005 11.030 -24.747 134 1HD2 LEU 19 1HD2 LEU 19 32.756 7.804 -24.538 135 2HD2 LEU 19 2HD2 LEU 19 33.263 8.949 -23.296 136 3HD2 LEU 19 3HD2 LEU 19 32.417 9.524 -24.731 137 H LYS 20 H LYS 20 37.746 8.245 -25.072 138 HA LYS 20 HA LYS 20 38.232 5.364 -24.697 139 1HB LYS 20 1HB LYS 20 40.041 7.348 -25.455 140 2HB LYS 20 2HB LYS 20 40.389 7.058 -23.755 141 1HG LYS 20 1HG LYS 20 40.193 4.861 -25.794 142 2HG LYS 20 2HG LYS 20 41.702 5.679 -25.387 143 1HD LYS 20 1HD LYS 20 39.949 4.315 -23.357 144 2HD LYS 20 2HD LYS 20 41.283 3.511 -24.183 145 1HE LYS 20 1HE LYS 20 41.481 5.964 -22.438 146 2HE LYS 20 2HE LYS 20 41.984 4.332 -21.999 147 1HZ LYS 20 1HZ LYS 20 43.239 4.952 -24.397 148 2HZ LYS 20 2HZ LYS 20 43.430 6.304 -23.398 149 3HZ LYS 20 3HZ LYS 20 43.951 4.784 -22.872 150 H THR 21 H THR 21 38.245 4.537 -22.673 151 HA THR 21 HA THR 21 37.612 6.401 -20.477 152 HB THR 21 HB THR 21 36.828 3.654 -19.959 153 HG1 THR 21 HG1 THR 21 34.941 4.040 -21.528 154 1HG2 THR 21 1HG2 THR 21 35.477 6.342 -19.965 155 2HG2 THR 21 2HG2 THR 21 34.607 4.854 -19.593 156 3HG2 THR 21 3HG2 THR 21 35.959 5.361 -18.581 157 H GLN 22 H GLN 22 38.168 5.512 -18.283 158 HA GLN 22 HA GLN 22 40.597 3.856 -18.356 159 1HB GLN 22 1HB GLN 22 40.218 6.458 -16.870 160 2HB GLN 22 2HB GLN 22 41.547 5.345 -16.572 161 1HG GLN 22 1HG GLN 22 41.223 6.080 -19.380 162 2HG GLN 22 2HG GLN 22 41.593 7.436 -18.317 163 2HE2 GLN 22 1HE2 GLN 22 42.599 4.036 -18.509 164 1HE2 GLN 22 2HE2 GLN 22 44.296 4.358 -18.464 165 H GLY 23 H GLY 23 37.777 3.298 -17.640 166 1HA GLY 23 1HA GLY 23 36.984 1.705 -16.108 167 2HA GLY 23 2HA GLY 23 38.340 2.077 -15.054 168 H ASN 24 H ASN 24 37.151 4.985 -15.955 169 HA ASN 24 HA ASN 24 34.797 5.223 -14.406 170 1HB ASN 24 1HB ASN 24 36.362 4.848 -12.543 171 2HB ASN 24 2HB ASN 24 37.334 6.213 -13.086 172 2HD2 ASN 24 1HD2 ASN 24 33.910 5.537 -12.415 173 1HD2 ASN 24 2HD2 ASN 24 33.638 6.969 -11.487 174 H LYS 25 H LYS 25 37.720 6.899 -15.511 175 HA LYS 25 HA LYS 25 36.230 9.356 -15.947 176 1HB LYS 25 1HB LYS 25 39.119 8.739 -16.585 177 2HB LYS 25 2HB LYS 25 38.370 10.330 -16.555 178 1HG LYS 25 2HG LYS 25 37.818 9.458 -14.052 179 2HG LYS 25 1HG LYS 25 39.221 10.435 -14.489 180 1HD LYS 25 1HD LYS 25 39.176 7.835 -13.372 181 2HD LYS 25 2HD LYS 25 39.818 7.697 -15.010 182 1HE LYS 25 2HE LYS 25 41.197 9.830 -14.233 183 2HE LYS 25 1HE LYS 25 41.753 8.186 -13.921 184 1HZ LYS 25 1HZ LYS 25 40.007 9.161 -11.874 185 2HZ LYS 25 2HZ LYS 25 41.545 8.471 -11.741 186 3HZ LYS 25 3HZ LYS 25 41.384 10.127 -12.052 187 H GLN 26 H GLN 26 37.486 10.345 -18.215 188 HA GLN 26 HA GLN 26 36.862 8.441 -20.349 189 1HB GLN 26 1HB GLN 26 35.872 11.195 -20.786 190 2HB GLN 26 2HB GLN 26 35.198 9.659 -21.310 191 1HG GLN 26 1HG GLN 26 34.673 9.374 -18.763 192 2HG GLN 26 2HG GLN 26 34.808 11.131 -18.758 193 2HE2 GLN 26 1HE2 GLN 26 33.244 12.353 -19.720 194 1HE2 GLN 26 2HE2 GLN 26 31.768 11.699 -20.335 195 H MET 27 H MET 27 37.228 9.756 -22.544 196 HA MET 27 HA MET 27 39.172 11.751 -22.695 197 1HB MET 27 1HB MET 27 40.313 9.384 -21.824 198 2HB MET 27 2HB MET 27 40.620 9.363 -23.556 199 1HG MET 27 1HG MET 27 41.218 11.960 -22.662 200 2HG MET 27 2HG MET 27 41.939 10.842 -21.506 201 1HE MET 27 1HE MET 27 43.105 8.820 -22.132 202 2HE MET 27 2HE MET 27 42.988 8.258 -23.799 203 3HE MET 27 3HE MET 27 44.508 8.921 -23.198 204 H LEU 28 H LEU 28 38.385 12.570 -24.534 205 HA LEU 28 HA LEU 28 37.360 10.847 -26.610 206 1HB LEU 28 1HB LEU 28 36.525 13.208 -25.840 207 2HB LEU 28 2HB LEU 28 37.743 13.788 -26.964 208 HG LEU 28 HG LEU 28 36.315 11.825 -28.357 209 1HD1 LEU 28 1HD1 LEU 28 34.665 13.029 -26.336 210 2HD1 LEU 28 2HD1 LEU 28 34.096 13.473 -27.944 211 3HD1 LEU 28 3HD1 LEU 28 34.267 11.772 -27.508 212 1HD2 LEU 28 1HD2 LEU 28 36.290 14.834 -28.444 213 2HD2 LEU 28 2HD2 LEU 28 37.256 13.731 -29.424 214 3HD2 LEU 28 3HD2 LEU 28 35.510 13.817 -29.654 215 H CYS 29 H CYS 29 38.631 9.910 -28.032 216 HA CYS 29 HA CYS 29 41.154 11.217 -28.781 217 1HB CYS 29 1HB CYS 29 40.274 8.415 -28.485 218 2HB CYS 29 2HB CYS 29 41.342 8.730 -29.845 219 H THR 30 H THR 30 41.544 11.854 -30.829 220 HA THR 30 HA THR 30 39.684 11.007 -32.944 221 HB THR 30 HB THR 30 40.554 13.861 -32.438 222 HG1 THR 30 HG1 THR 30 38.763 13.683 -31.268 223 1HG2 THR 30 1HG2 THR 30 39.342 12.510 -34.810 224 2HG2 THR 30 2HG2 THR 30 38.854 14.161 -34.429 225 3HG2 THR 30 3HG2 THR 30 40.550 13.793 -34.744 226 H CYS 31 H CYS 31 40.618 10.610 -34.887 227 HA CYS 31 HA CYS 31 43.513 11.080 -35.037 228 1HB CYS 31 1HB CYS 31 43.585 9.232 -36.659 229 2HB CYS 31 2HB CYS 31 42.933 8.720 -35.105 230 H LEU 32 H LEU 32 43.957 12.810 -36.147 231 HA LEU 32 HA LEU 32 42.205 13.850 -38.172 232 1HB LEU 32 1HB LEU 32 44.437 15.363 -38.413 233 2HB LEU 32 2HB LEU 32 43.155 15.670 -37.257 234 HG LEU 32 HG LEU 32 45.415 13.894 -36.447 235 1HD1 LEU 32 1HD1 LEU 32 46.075 16.251 -37.550 236 2HD1 LEU 32 2HD1 LEU 32 45.756 16.763 -35.892 237 3HD1 LEU 32 3HD1 LEU 32 46.957 15.510 -36.211 238 1HD2 LEU 32 1HD2 LEU 32 43.210 14.586 -35.153 239 2HD2 LEU 32 2HD2 LEU 32 44.751 14.381 -34.321 240 3HD2 LEU 32 3HD2 LEU 32 44.188 15.997 -34.747 241 H GLY 33 H GLY 33 45.660 13.921 -38.696 242 1HA GLY 33 1HA GLY 33 45.478 11.952 -40.845 243 2HA GLY 33 2HA GLY 33 45.855 13.601 -41.315 244 H ASN 34 H ASN 34 47.458 14.223 -39.024 245 HA ASN 34 HA ASN 34 49.885 12.806 -39.812 246 1HB ASN 34 1HB ASN 34 50.868 14.663 -38.206 247 2HB ASN 34 2HB ASN 34 50.390 15.052 -39.856 248 2HD2 ASN 34 1HD2 ASN 34 50.484 16.515 -37.173 249 1HD2 ASN 34 2HD2 ASN 34 48.947 17.303 -37.092 250 H GLY 35 H GLY 35 47.589 12.846 -37.313 251 1HA GLY 35 1HA GLY 35 48.829 10.732 -35.906 252 2HA GLY 35 2HA GLY 35 49.106 12.240 -35.048 253 H VAL 36 H VAL 36 47.875 11.005 -33.380 254 HA VAL 36 HA VAL 36 44.984 11.423 -33.759 255 HB VAL 36 HB VAL 36 46.416 9.132 -32.448 256 1HG1 VAL 36 1HG1 VAL 36 43.990 10.437 -31.473 257 2HG1 VAL 36 2HG1 VAL 36 43.796 8.711 -31.784 258 3HG1 VAL 36 3HG1 VAL 36 45.050 9.272 -30.679 259 1HG2 VAL 36 1HG2 VAL 36 44.706 9.544 -34.734 260 2HG2 VAL 36 2HG2 VAL 36 45.715 8.161 -34.315 261 3HG2 VAL 36 3HG2 VAL 36 44.079 8.286 -33.669 262 H SER 37 H SER 37 44.333 13.080 -32.577 263 HA SER 37 HA SER 37 45.680 13.637 -30.023 264 1HB SER 37 1HB SER 37 45.735 15.464 -31.698 265 2HB SER 37 2HB SER 37 43.972 15.481 -31.713 266 HG SER 37 HG SER 37 45.448 16.891 -30.171 267 H CYS 38 H CYS 38 44.517 13.784 -28.134 268 HA CYS 38 HA CYS 38 41.619 13.345 -28.321 269 1HB CYS 38 2HB CYS 38 41.616 11.541 -26.883 270 2HB CYS 38 1HB CYS 38 43.134 12.004 -26.129 271 H GLN 39 H GLN 39 40.484 13.752 -26.236 272 HA GLN 39 HA GLN 39 41.736 16.038 -24.861 273 1HB GLN 39 2HB GLN 39 39.532 16.906 -24.464 274 2HB GLN 39 1HB GLN 39 38.786 15.426 -25.049 275 1HG GLN 39 1HG GLN 39 39.745 17.749 -26.517 276 2HG GLN 39 2HG GLN 39 40.300 16.217 -27.190 277 2HE2 GLN 39 1HE2 GLN 39 37.283 17.034 -25.543 278 1HE2 GLN 39 2HE2 GLN 39 36.243 16.610 -26.857 279 H GLU 40 H GLU 40 42.525 15.467 -22.947 280 HA GLU 40 HA GLU 40 42.020 13.179 -21.513 281 1HB GLU 40 1HB GLU 40 43.563 15.464 -21.149 282 2HB GLU 40 2HB GLU 40 42.512 15.428 -19.739 283 1HG GLU 40 1HG GLU 40 43.237 13.130 -19.276 284 2HG GLU 40 2HG GLU 40 44.322 13.209 -20.664 285 H THR 41 H THR 41 39.943 12.555 -21.198 286 HA THR 41 HA THR 41 37.978 12.375 -20.043 287 HB THR 41 HB THR 41 38.701 14.965 -18.665 288 HG1 THR 41 HG1 THR 41 39.850 13.786 -17.249 289 1HG2 THR 41 1HG2 THR 41 36.757 12.749 -18.038 290 2HG2 THR 41 2HG2 THR 41 37.255 13.960 -16.858 291 3HG2 THR 41 3HG2 THR 41 36.402 14.452 -18.320 292 H ALA 42 H ALA 42 38.628 15.805 -20.727 293 HA ALA 42 HA ALA 42 37.564 17.198 -22.248 294 1HB ALA 42 1HB ALA 42 36.696 14.877 -23.214 295 2HB ALA 42 2HB ALA 42 35.178 15.456 -22.526 296 3HB ALA 42 3HB ALA 42 36.024 16.422 -23.735 297 H VAL 43 H VAL 43 35.371 15.387 -20.129 298 HA VAL 43 HA VAL 43 33.653 16.057 -18.791 299 HB VAL 43 HB VAL 43 36.084 17.073 -17.903 300 1HG1 VAL 43 1HG1 VAL 43 34.981 19.351 -18.545 301 2HG1 VAL 43 2HG1 VAL 43 34.104 19.111 -17.033 302 3HG1 VAL 43 3HG1 VAL 43 35.865 19.172 -17.030 303 1HG2 VAL 43 1HG2 VAL 43 33.438 16.586 -16.614 304 2HG2 VAL 43 2HG2 VAL 43 34.901 15.602 -16.567 305 3HG2 VAL 43 3HG2 VAL 43 34.833 17.125 -15.679 306 H THR 44 H THR 44 32.656 18.309 -17.843 307 HA THR 44 HA THR 44 32.383 20.532 -19.473 308 HB THR 44 HB THR 44 31.498 18.941 -21.161 309 HG1 THR 44 HG1 THR 44 30.672 20.930 -21.460 310 1HG2 THR 44 1HG2 THR 44 30.448 17.344 -19.618 311 2HG2 THR 44 2HG2 THR 44 29.253 18.563 -19.173 312 3HG2 THR 44 3HG2 THR 44 29.297 17.931 -20.819 313 H GLN 45 H GLN 45 29.647 21.083 -19.269 314 HA GLN 45 HA GLN 45 29.143 20.879 -16.374 315 1HB GLN 45 2HB GLN 45 29.127 23.102 -16.117 316 2HB GLN 45 1HB GLN 45 28.075 23.318 -17.507 317 1HG GLN 45 1HG GLN 45 30.108 23.112 -18.958 318 2HG GLN 45 2HG GLN 45 30.040 24.548 -17.936 319 2HE2 GLN 45 1HE2 GLN 45 32.408 24.328 -18.635 320 1HE2 GLN 45 2HE2 GLN 45 33.440 23.492 -17.531 321 H THR 46 H THR 46 26.780 21.828 -15.984 322 HA THR 46 HA THR 46 24.863 21.268 -18.034 323 HB THR 46 HB THR 46 23.716 19.424 -16.768 324 HG1 THR 46 HG1 THR 46 25.147 18.234 -15.328 325 1HG2 THR 46 1HG2 THR 46 25.215 19.098 -18.787 326 2HG2 THR 46 2HG2 THR 46 26.484 18.632 -17.655 327 3HG2 THR 46 3HG2 THR 46 24.999 17.687 -17.752 328 H TYR 47 H TYR 47 22.761 21.924 -17.470 329 HA TYR 47 HA TYR 47 21.959 22.588 -14.845 330 1HB TYR 47 1HB TYR 47 22.083 24.977 -14.862 331 2HB TYR 47 2HB TYR 47 23.690 24.373 -15.253 332 HD1 TYR 47 HD1 TYR 47 20.681 26.010 -16.608 333 HD2 TYR 47 HD2 TYR 47 24.679 24.785 -17.402 334 HE1 TYR 47 HE1 TYR 47 20.691 27.382 -18.648 335 HE2 TYR 47 HE2 TYR 47 24.698 26.154 -19.443 336 HH TYR 47 HH TYR 47 21.917 28.170 -20.333 337 H GLY 48 H GLY 48 19.790 22.957 -14.754 338 1HA GLY 48 1HA GLY 48 17.615 23.106 -15.466 339 2HA GLY 48 2HA GLY 48 18.219 24.094 -16.788 340 H GLY 49 H GLY 49 18.366 23.239 -18.806 341 1HA GLY 49 1HA GLY 49 17.875 21.797 -20.525 342 2HA GLY 49 2HA GLY 49 18.629 20.574 -19.514 343 H ASN 50 H ASN 50 17.349 18.846 -19.518 344 HA ASN 50 HA ASN 50 14.506 19.246 -18.881 345 1HB ASN 50 1HB ASN 50 15.723 17.720 -21.129 346 2HB ASN 50 2HB ASN 50 14.306 17.026 -20.348 347 2HD2 ASN 50 1HD2 ASN 50 13.062 17.303 -22.198 348 1HD2 ASN 50 2HD2 ASN 50 12.489 18.855 -22.694 349 H SER 51 H SER 51 17.253 18.180 -17.670 350 HA SER 51 HA SER 51 15.939 16.026 -16.174 351 1HB SER 51 1HB SER 51 17.445 15.037 -17.907 352 2HB SER 51 2HB SER 51 18.799 15.877 -17.152 353 HG SER 51 HG SER 51 17.127 13.933 -15.932 354 H ASN 52 H ASN 52 16.980 18.970 -15.894 355 HA ASN 52 HA ASN 52 17.741 20.281 -14.201 356 1HB ASN 52 1HB ASN 52 16.167 19.076 -12.809 357 2HB ASN 52 2HB ASN 52 17.305 17.747 -12.610 358 2HD2 ASN 52 1HD2 ASN 52 18.669 17.799 -10.952 359 1HD2 ASN 52 2HD2 ASN 52 18.917 19.151 -9.905 360 H GLY 53 H GLY 53 19.642 18.944 -15.867 361 1HA GLY 53 1HA GLY 53 21.994 19.224 -15.814 362 2HA GLY 53 2HA GLY 53 21.946 19.076 -14.064 363 H GLU 54 H GLU 54 22.801 17.270 -13.305 364 HA GLU 54 HA GLU 54 23.451 15.099 -13.100 365 1HB GLU 54 1HB GLU 54 21.202 14.769 -15.071 366 2HB GLU 54 2HB GLU 54 22.155 13.399 -14.525 367 1HG GLU 54 2HG GLU 54 20.409 13.313 -13.064 368 2HG GLU 54 1HG GLU 54 20.197 15.062 -13.039 369 HA PRO 55 HA PRO 55 26.493 14.384 -16.203 370 1HB PRO 55 1HB PRO 55 26.982 11.742 -15.960 371 2HB PRO 55 2HB PRO 55 27.431 12.901 -14.702 372 1HG PRO 55 1HG PRO 55 25.050 11.088 -14.845 373 2HG PRO 55 2HG PRO 55 26.110 11.433 -13.465 374 1HD PRO 55 1HD PRO 55 23.684 12.616 -13.797 375 2HD PRO 55 2HD PRO 55 25.042 13.412 -12.979 376 H CYS 56 H CYS 56 26.154 14.444 -18.337 377 HA CYS 56 HA CYS 56 23.979 13.198 -19.617 378 1HB CYS 56 1HB CYS 56 26.512 14.332 -20.820 379 2HB CYS 56 2HB CYS 56 25.057 13.916 -21.721 380 H VAL 57 H VAL 57 24.091 11.606 -21.367 381 HA VAL 57 HA VAL 57 26.027 9.484 -20.728 382 HB VAL 57 HB VAL 57 23.628 8.993 -20.270 383 1HG1 VAL 57 1HG1 VAL 57 23.327 10.069 -22.891 384 2HG1 VAL 57 2HG1 VAL 57 22.734 8.407 -22.883 385 3HG1 VAL 57 3HG1 VAL 57 22.084 9.583 -21.741 386 1HG2 VAL 57 1HG2 VAL 57 25.067 7.354 -22.349 387 2HG2 VAL 57 2HG2 VAL 57 25.077 7.134 -20.600 388 3HG2 VAL 57 3HG2 VAL 57 23.609 6.809 -21.522 389 H LEU 58 H LEU 58 27.438 10.743 -22.301 390 HA LEU 58 HA LEU 58 26.763 10.046 -25.080 391 1HB LEU 58 1HB LEU 58 28.892 11.720 -25.313 392 2HB LEU 58 2HB LEU 58 27.213 12.211 -25.419 393 HG LEU 58 HG LEU 58 28.514 13.701 -23.976 394 1HD1 LEU 58 1HD1 LEU 58 26.044 12.585 -23.439 395 2HD1 LEU 58 2HD1 LEU 58 26.893 12.517 -21.895 396 3HD1 LEU 58 3HD1 LEU 58 26.711 14.057 -22.734 397 1HD2 LEU 58 1HD2 LEU 58 29.561 11.246 -22.986 398 2HD2 LEU 58 2HD2 LEU 58 30.062 12.894 -22.609 399 3HD2 LEU 58 3HD2 LEU 58 28.802 12.114 -21.652 400 HA PRO 59 HA PRO 59 28.368 10.633 -26.922 401 1HB PRO 59 1HB PRO 59 28.828 8.881 -28.931 402 2HB PRO 59 2HB PRO 59 30.094 9.916 -28.260 403 1HG PRO 59 2HG PRO 59 31.067 7.824 -27.955 404 2HG PRO 59 1HG PRO 59 29.500 7.037 -27.688 405 1HD PRO 59 1HD PRO 59 30.131 7.225 -25.484 406 2HD PRO 59 2HD PRO 59 31.174 8.624 -25.799 407 H PHE 60 H PHE 60 26.257 10.764 -27.339 408 HA PHE 60 HA PHE 60 24.647 8.301 -27.310 409 1HB PHE 60 1HB PHE 60 22.715 9.974 -27.082 410 2HB PHE 60 2HB PHE 60 23.777 9.779 -25.692 411 HD1 PHE 60 HD1 PHE 60 25.471 11.513 -25.188 412 HD2 PHE 60 HD2 PHE 60 22.525 12.041 -28.213 413 HE1 PHE 60 HE1 PHE 60 25.889 13.937 -25.166 414 HE2 PHE 60 HE2 PHE 60 22.937 14.467 -28.197 415 HZ PHE 60 HZ PHE 60 24.621 15.418 -26.671 416 H THR 61 H THR 61 22.520 8.747 -28.732 417 HA THR 61 HA THR 61 23.433 9.758 -31.345 418 HB THR 61 HB THR 61 21.441 7.596 -31.447 419 HG1 THR 61 HG1 THR 61 23.372 6.081 -31.221 420 1HG2 THR 61 1HG2 THR 61 24.037 8.168 -32.880 421 2HG2 THR 61 2HG2 THR 61 22.948 6.838 -33.272 422 3HG2 THR 61 3HG2 THR 61 22.408 8.506 -33.466 423 H TYR 62 H TYR 62 22.192 11.302 -32.143 424 HA TYR 62 HA TYR 62 19.316 11.268 -31.641 425 1HB TYR 62 1HB TYR 62 20.032 12.680 -29.861 426 2HB TYR 62 2HB TYR 62 21.158 13.541 -30.904 427 HD1 TYR 62 HD1 TYR 62 17.510 12.868 -30.507 428 HD2 TYR 62 HD2 TYR 62 20.519 15.563 -31.842 429 HE1 TYR 62 HE1 TYR 62 15.783 14.558 -30.966 430 HE2 TYR 62 HE2 TYR 62 18.801 17.261 -32.304 431 HH TYR 62 HH TYR 62 15.384 16.527 -32.085 432 H ASN 63 H ASN 63 18.162 11.872 -33.373 433 HA ASN 63 HA ASN 63 17.619 12.694 -35.426 434 1HB ASN 63 1HB ASN 63 19.466 14.564 -34.417 435 2HB ASN 63 2HB ASN 63 19.964 14.237 -36.074 436 2HD2 ASN 63 1HD2 ASN 63 18.129 16.191 -34.226 437 1HD2 ASN 63 2HD2 ASN 63 16.959 16.699 -35.391 438 H GLY 64 H GLY 64 19.986 10.613 -34.780 439 1HA GLY 64 1HA GLY 64 20.470 8.866 -36.366 440 2HA GLY 64 2HA GLY 64 20.452 10.076 -37.639 441 H ARG 65 H ARG 65 22.039 11.656 -35.366 442 HA ARG 65 HA ARG 65 24.649 10.681 -36.299 443 1HB ARG 65 2HB ARG 65 24.067 13.025 -36.850 444 2HB ARG 65 1HB ARG 65 25.509 12.896 -35.855 445 1HG ARG 65 1HG ARG 65 23.196 13.167 -34.192 446 2HG ARG 65 2HG ARG 65 24.620 14.196 -34.301 447 1HD ARG 65 2HD ARG 65 23.017 15.693 -34.914 448 2HD ARG 65 1HD ARG 65 21.970 14.452 -35.593 449 HE ARG 65 HE ARG 65 23.235 14.495 -37.571 450 1HH1 ARG 65 1HH1 ARG 65 24.299 16.903 -35.273 451 2HH1 ARG 65 2HH1 ARG 65 25.110 17.855 -36.467 452 1HH2 ARG 65 1HH2 ARG 65 24.307 15.750 -39.133 453 2HH2 ARG 65 2HH2 ARG 65 25.117 17.204 -38.653 454 H THR 66 H THR 66 26.299 11.848 -34.430 455 HA THR 66 HA THR 66 25.431 10.828 -31.829 456 HB THR 66 HB THR 66 27.985 9.955 -33.189 457 HG1 THR 66 HG1 THR 66 25.764 8.924 -33.585 458 1HG2 THR 66 1HG2 THR 66 28.136 10.428 -30.706 459 2HG2 THR 66 2HG2 THR 66 26.976 9.120 -30.476 460 3HG2 THR 66 3HG2 THR 66 28.549 8.786 -31.201 461 H PHE 67 H PHE 67 26.510 11.698 -30.055 462 HA PHE 67 HA PHE 67 28.504 13.781 -30.572 463 1HB PHE 67 1HB PHE 67 26.349 14.382 -28.593 464 2HB PHE 67 2HB PHE 67 27.324 15.486 -29.556 465 HD1 PHE 67 HD1 PHE 67 24.836 12.759 -30.160 466 HD2 PHE 67 HD2 PHE 67 26.199 16.669 -31.151 467 HE1 PHE 67 HE1 PHE 67 22.981 12.998 -31.759 468 HE2 PHE 67 HE2 PHE 67 24.345 16.914 -32.750 469 HZ PHE 67 HZ PHE 67 22.734 15.077 -33.056 470 H TYR 68 H TYR 68 30.216 13.273 -29.371 471 HA TYR 68 HA TYR 68 30.024 11.524 -27.118 472 1HB TYR 68 1HB TYR 68 32.322 13.052 -28.339 473 2HB TYR 68 2HB TYR 68 32.504 11.988 -26.949 474 HD1 TYR 68 HD1 TYR 68 30.684 11.692 -30.214 475 HD2 TYR 68 HD2 TYR 68 33.543 10.034 -27.547 476 HE1 TYR 68 HE1 TYR 68 30.962 9.766 -31.717 477 HE2 TYR 68 HE2 TYR 68 33.832 8.104 -29.032 478 HH TYR 68 HH TYR 68 32.448 6.925 -30.811 479 H SER 69 H SER 69 29.424 14.766 -27.433 480 HA SER 69 HA SER 69 29.545 15.157 -24.575 481 1HB SER 69 1HB SER 69 31.785 15.921 -25.930 482 2HB SER 69 2HB SER 69 30.837 17.407 -25.974 483 HG SER 69 HG SER 69 32.208 17.159 -24.093 484 H CYS 70 H CYS 70 29.260 17.934 -24.556 485 HA CYS 70 HA CYS 70 26.543 18.276 -24.895 486 1HB CYS 70 2HB CYS 70 26.872 20.541 -24.384 487 2HB CYS 70 1HB CYS 70 28.444 20.588 -25.171 488 H THR 71 H THR 71 25.389 19.748 -26.368 489 HA THR 71 HA THR 71 26.463 20.513 -28.867 490 HB THR 71 HB THR 71 26.372 17.986 -29.131 491 HG1 THR 71 HG1 THR 71 24.657 19.001 -31.065 492 1HG2 THR 71 1HG2 THR 71 23.415 18.585 -29.061 493 2HG2 THR 71 2HG2 THR 71 24.099 17.108 -29.741 494 3HG2 THR 71 3HG2 THR 71 24.311 17.469 -28.028 495 H THR 72 H THR 72 24.917 21.520 -30.240 496 HA THR 72 HA THR 72 22.346 22.083 -28.912 497 HB THR 72 HB THR 72 22.657 24.241 -30.517 498 HG1 THR 72 HG1 THR 72 24.773 23.694 -31.135 499 1HG2 THR 72 1HG2 THR 72 23.464 23.756 -27.670 500 2HG2 THR 72 2HG2 THR 72 23.646 25.352 -28.400 501 3HG2 THR 72 3HG2 THR 72 22.051 24.605 -28.296 502 H GLU 73 H GLU 73 21.687 20.148 -30.198 503 HA GLU 73 HA GLU 73 21.275 20.738 -33.039 504 1HB GLU 73 1HB GLU 73 21.629 18.279 -31.467 505 2HB GLU 73 2HB GLU 73 20.395 18.180 -32.715 506 1HG GLU 73 1HG GLU 73 23.287 18.912 -33.100 507 2HG GLU 73 2HG GLU 73 22.501 17.410 -33.581 508 H GLY 74 H GLY 74 19.454 19.349 -30.308 509 1HA GLY 74 1HA GLY 74 16.999 20.355 -31.601 510 2HA GLY 74 2HA GLY 74 17.059 18.902 -30.622 511 H ARG 75 H ARG 75 17.660 22.389 -30.421 512 HA ARG 75 HA ARG 75 16.339 22.377 -27.798 513 1HB ARG 75 2HB ARG 75 18.776 22.483 -27.431 514 2HB ARG 75 1HB ARG 75 17.962 23.949 -26.901 515 1HG ARG 75 1HG ARG 75 18.585 24.883 -29.211 516 2HG ARG 75 2HG ARG 75 19.848 24.739 -27.984 517 1HD ARG 75 1HD ARG 75 21.031 23.441 -29.337 518 2HD ARG 75 2HD ARG 75 19.703 22.285 -29.406 519 HE ARG 75 HE ARG 75 19.222 23.037 -31.504 520 1HH1 ARG 75 1HH1 ARG 75 21.144 25.438 -29.873 521 2HH1 ARG 75 2HH1 ARG 75 21.298 26.452 -31.269 522 1HH2 ARG 75 1HH2 ARG 75 19.416 24.364 -33.349 523 2HH2 ARG 75 2HH2 ARG 75 20.315 25.840 -33.246 524 H GLN 76 H GLN 76 15.289 24.342 -27.233 525 HA GLN 76 HA GLN 76 14.589 25.960 -29.577 526 1HB GLN 76 2HB GLN 76 12.478 26.134 -28.751 527 2HB GLN 76 1HB GLN 76 13.026 26.228 -27.083 528 1HG GLN 76 1HG GLN 76 13.270 23.644 -28.535 529 2HG GLN 76 2HG GLN 76 13.054 23.955 -26.813 530 2HE2 GLN 76 1HE2 GLN 76 11.514 22.070 -27.668 531 1HE2 GLN 76 2HE2 GLN 76 9.887 22.586 -27.930 532 H ASP 77 H ASP 77 17.025 26.567 -28.406 533 HA ASP 77 HA ASP 77 16.597 29.321 -27.710 534 1HB ASP 77 1HB ASP 77 16.491 27.759 -25.555 535 2HB ASP 77 2HB ASP 77 18.242 27.897 -25.678 536 H GLY 78 H GLY 78 19.249 27.068 -27.006 537 1HA GLY 78 1HA GLY 78 20.949 27.064 -28.972 538 2HA GLY 78 2HA GLY 78 21.019 28.780 -28.605 539 H HIS 79 H HIS 79 20.699 26.178 -26.258 540 HA HIS 79 HA HIS 79 23.336 26.928 -25.180 541 1HB HIS 79 2HB HIS 79 22.546 26.555 -23.002 542 2HB HIS 79 1HB HIS 79 21.186 25.590 -23.561 543 HD1 HIS 79 HD1 HIS 79 21.764 28.870 -25.208 544 HD2 HIS 79 HD2 HIS 79 19.430 27.298 -22.150 545 HE1 HIS 79 HE1 HIS 79 20.031 30.625 -24.714 546 HE2 HIS 79 HE2 HIS 79 18.591 29.626 -22.904 547 H LEU 80 H LEU 80 24.871 25.419 -25.328 548 HA LEU 80 HA LEU 80 24.737 23.002 -26.515 549 1HB LEU 80 1HB LEU 80 26.448 23.938 -24.229 550 2HB LEU 80 2HB LEU 80 26.638 22.334 -24.901 551 HG LEU 80 HG LEU 80 27.353 23.173 -26.995 552 1HD1 LEU 80 1HD1 LEU 80 25.641 24.999 -27.076 553 2HD1 LEU 80 2HD1 LEU 80 26.722 25.968 -26.075 554 3HD1 LEU 80 3HD1 LEU 80 27.236 25.447 -27.679 555 1HD2 LEU 80 1HD2 LEU 80 28.543 24.579 -24.635 556 2HD2 LEU 80 2HD2 LEU 80 29.192 23.240 -25.583 557 3HD2 LEU 80 3HD2 LEU 80 29.162 24.867 -26.262 558 H TRP 81 H TRP 81 24.000 20.988 -26.070 559 HA TRP 81 HA TRP 81 23.269 20.308 -23.329 560 1HB TRP 81 1HB TRP 81 21.008 19.715 -23.869 561 2HB TRP 81 2HB TRP 81 21.272 21.364 -24.430 562 HD1 TRP 81 HD1 TRP 81 21.051 21.824 -27.013 563 HE1 TRP 81 HE1 TRP 81 20.273 20.388 -29.000 564 HE3 TRP 81 HE3 TRP 81 21.047 17.236 -24.752 565 HZ2 TRP 81 HZ2 TRP 81 19.731 17.669 -29.541 566 HZ3 TRP 81 HZ3 TRP 81 20.386 15.270 -26.076 567 HH2 TRP 81 HH2 TRP 81 19.741 15.484 -28.420 568 H CYS 82 H CYS 82 22.965 18.077 -22.954 569 HA CYS 82 HA CYS 82 23.667 16.260 -25.138 570 1HB CYS 82 1HB CYS 82 25.061 15.039 -23.231 571 2HB CYS 82 2HB CYS 82 25.785 16.276 -24.252 572 H SER 83 H SER 83 23.282 13.942 -24.483 573 HA SER 83 HA SER 83 20.689 13.776 -23.249 574 1HB SER 83 1HB SER 83 21.262 12.393 -25.210 575 2HB SER 83 2HB SER 83 22.499 11.567 -24.263 576 HG SER 83 HG SER 83 20.725 10.291 -24.135 577 H THR 84 H THR 84 20.155 12.447 -21.428 578 HA THR 84 HA THR 84 22.332 12.341 -19.462 579 HB THR 84 HB THR 84 20.263 11.974 -17.873 580 HG1 THR 84 HG1 THR 84 19.117 13.305 -20.123 581 1HG2 THR 84 1HG2 THR 84 21.896 14.027 -18.297 582 2HG2 THR 84 2HG2 THR 84 20.414 14.756 -18.916 583 3HG2 THR 84 3HG2 THR 84 20.481 14.167 -17.254 584 H THR 85 H THR 85 19.819 10.424 -20.988 585 HA THR 85 HA THR 85 20.968 8.025 -19.721 586 HB THR 85 HB THR 85 18.509 8.679 -19.170 587 HG1 THR 85 HG1 THR 85 19.037 6.046 -20.122 588 1HG2 THR 85 1HG2 THR 85 17.893 9.027 -21.569 589 2HG2 THR 85 2HG2 THR 85 18.084 7.290 -21.813 590 3HG2 THR 85 3HG2 THR 85 16.842 7.895 -20.715 591 H SER 86 H SER 86 20.657 6.019 -21.062 592 HA SER 86 HA SER 86 21.839 6.364 -23.593 593 1HB SER 86 1HB SER 86 20.591 3.820 -23.535 594 2HB SER 86 2HB SER 86 22.282 4.201 -23.213 595 HG SER 86 HG SER 86 21.841 3.553 -21.266 596 H ASN 87 H ASN 87 18.522 5.420 -22.698 597 HA ASN 87 HA ASN 87 17.679 5.720 -25.470 598 1HB ASN 87 1HB ASN 87 16.895 4.000 -23.460 599 2HB ASN 87 2HB ASN 87 15.583 5.173 -23.504 600 2HD2 ASN 87 1HD2 ASN 87 15.196 5.792 -26.011 601 1HD2 ASN 87 2HD2 ASN 87 14.846 4.409 -26.985 602 H TYR 88 H TYR 88 18.277 8.112 -25.163 603 HA TYR 88 HA TYR 88 16.492 9.742 -23.643 604 1HB TYR 88 1HB TYR 88 18.483 10.849 -24.016 605 2HB TYR 88 2HB TYR 88 18.649 10.223 -25.652 606 HD1 TYR 88 HD1 TYR 88 17.045 11.162 -27.432 607 HD2 TYR 88 HD2 TYR 88 17.699 13.023 -23.664 608 HE1 TYR 88 HE1 TYR 88 16.202 13.287 -28.341 609 HE2 TYR 88 HE2 TYR 88 16.860 15.152 -24.561 610 HH TYR 88 HH TYR 88 16.118 16.230 -26.355 611 H GLU 89 H GLU 89 16.339 8.183 -26.674 612 HA GLU 89 HA GLU 89 14.592 9.913 -28.053 613 1HB GLU 89 1HB GLU 89 14.981 6.924 -28.283 614 2HB GLU 89 2HB GLU 89 14.045 7.892 -29.414 615 1HG GLU 89 1HG GLU 89 15.960 9.040 -30.171 616 2HG GLU 89 2HG GLU 89 16.940 8.436 -28.835 617 H GLN 90 H GLN 90 14.075 7.351 -25.713 618 HA GLN 90 HA GLN 90 11.180 7.664 -25.943 619 1HB GLN 90 1HB GLN 90 11.047 5.699 -24.459 620 2HB GLN 90 2HB GLN 90 11.981 5.374 -25.912 621 1HG GLN 90 2HG GLN 90 13.913 6.194 -24.191 622 2HG GLN 90 1HG GLN 90 13.489 4.516 -24.519 623 2HE2 GLN 90 1HE2 GLN 90 11.354 3.945 -23.188 624 1HE2 GLN 90 2HE2 GLN 90 11.502 4.262 -21.496 625 H ASP 91 H ASP 91 13.797 7.954 -23.596 626 HA ASP 91 HA ASP 91 12.168 8.750 -21.419 627 1HB ASP 91 1HB ASP 91 14.824 8.094 -21.742 628 2HB ASP 91 2HB ASP 91 14.896 9.823 -21.419 629 H GLN 92 H GLN 92 14.356 10.670 -23.477 630 HA GLN 92 HA GLN 92 14.085 12.763 -24.369 631 1HB GLN 92 1HB GLN 92 11.503 12.070 -24.005 632 2HB GLN 92 2HB GLN 92 11.615 13.406 -22.868 633 1HG GLN 92 1HG GLN 92 11.317 14.808 -24.546 634 2HG GLN 92 2HG GLN 92 12.855 14.281 -25.226 635 2HE2 GLN 92 1HE2 GLN 92 12.511 11.916 -26.228 636 1HE2 GLN 92 2HE2 GLN 92 11.234 11.856 -27.390 637 H LYS 93 H LYS 93 15.558 12.223 -22.045 638 HA LYS 93 HA LYS 93 15.223 14.748 -20.569 639 1HB LYS 93 1HB LYS 93 16.795 13.139 -18.950 640 2HB LYS 93 2HB LYS 93 15.095 13.507 -18.713 641 1HG LYS 93 2HG LYS 93 14.957 11.414 -20.452 642 2HG LYS 93 1HG LYS 93 14.837 11.295 -18.699 643 1HD LYS 93 2HD LYS 93 17.574 11.327 -19.780 644 2HD LYS 93 1HD LYS 93 16.610 9.904 -20.185 645 1HE LYS 93 1HE LYS 93 16.166 10.464 -17.453 646 2HE LYS 93 2HE LYS 93 16.995 9.080 -18.162 647 1HZ LYS 93 1HZ LYS 93 18.364 11.660 -17.684 648 2HZ LYS 93 2HZ LYS 93 18.287 10.453 -16.503 649 3HZ LYS 93 3HZ LYS 93 19.059 10.146 -17.976 650 H TYR 94 H TYR 94 16.793 16.160 -20.881 651 HA TYR 94 HA TYR 94 19.513 15.205 -21.404 652 1HB TYR 94 1HB TYR 94 19.813 16.623 -23.293 653 2HB TYR 94 2HB TYR 94 18.314 15.746 -23.562 654 HD1 TYR 94 HD1 TYR 94 19.575 18.995 -22.225 655 HD2 TYR 94 HD2 TYR 94 16.395 16.919 -24.145 656 HE1 TYR 94 HE1 TYR 94 18.395 21.130 -22.566 657 HE2 TYR 94 HE2 TYR 94 15.208 19.045 -24.491 658 HH TYR 94 HH TYR 94 15.826 21.491 -24.667 659 H SER 95 H SER 95 21.100 17.078 -21.354 660 HA SER 95 HA SER 95 20.281 19.073 -19.349 661 1HB SER 95 1HB SER 95 23.089 18.474 -19.145 662 2HB SER 95 2HB SER 95 21.837 18.339 -17.912 663 HG SER 95 HG SER 95 22.202 16.279 -18.111 664 H PHE 96 H PHE 96 21.944 20.914 -19.243 665 HA PHE 96 HA PHE 96 22.535 21.712 -22.004 666 1HB PHE 96 1HB PHE 96 21.842 23.196 -19.514 667 2HB PHE 96 2HB PHE 96 22.863 24.007 -20.697 668 HD1 PHE 96 HD1 PHE 96 21.712 22.907 -23.204 669 HD2 PHE 96 HD2 PHE 96 19.833 24.370 -19.677 670 HE1 PHE 96 HE1 PHE 96 19.717 23.497 -24.517 671 HE2 PHE 96 HE2 PHE 96 17.834 24.962 -20.984 672 HZ PHE 96 HZ PHE 96 17.777 24.524 -23.407 673 H CYS 97 H CYS 97 24.392 23.632 -21.728 674 HA CYS 97 HA CYS 97 26.607 22.751 -20.111 675 1HB CYS 97 1HB CYS 97 26.485 22.191 -23.045 676 2HB CYS 97 2HB CYS 97 28.033 22.612 -22.324 677 H THR 98 H THR 98 26.180 24.964 -19.418 678 HA THR 98 HA THR 98 26.263 27.241 -20.953 679 HB THR 98 HB THR 98 25.789 27.637 -18.712 680 HG1 THR 98 HG1 THR 98 27.257 29.221 -19.518 681 1HG2 THR 98 1HG2 THR 98 27.568 25.502 -18.244 682 2HG2 THR 98 2HG2 THR 98 28.176 26.876 -17.318 683 3HG2 THR 98 3HG2 THR 98 26.523 26.313 -17.077 684 H ASP 99 H ASP 99 28.942 25.243 -19.869 685 HA ASP 99 HA ASP 99 31.122 25.141 -20.510 686 1HB ASP 99 1HB ASP 99 29.728 25.983 -22.799 687 2HB ASP 99 2HB ASP 99 31.131 27.041 -22.686 688 H HIS 100 H HIS 100 30.071 28.490 -21.179 689 HA HIS 100 HA HIS 100 30.996 30.499 -20.614 690 1HB HIS 100 1HB HIS 100 30.205 29.304 -18.357 691 2HB HIS 100 2HB HIS 100 31.926 29.411 -18.004 692 HD1 HIS 100 HD1 HIS 100 29.631 31.960 -19.652 693 HD2 HIS 100 HD2 HIS 100 32.129 31.546 -16.359 694 HE1 HIS 100 HE1 HIS 100 29.665 34.219 -18.546 695 HE2 HIS 100 HE2 HIS 100 31.091 33.911 -16.491 696 H THR 101 H THR 101 33.107 31.388 -19.240 697 HA THR 101 HA THR 101 35.470 29.849 -19.960 698 HB THR 101 HB THR 101 36.507 31.775 -21.141 699 HG1 THR 101 HG1 THR 101 34.085 32.918 -20.471 700 1HG2 THR 101 1HG2 THR 101 35.212 29.838 -22.260 701 2HG2 THR 101 2HG2 THR 101 33.977 31.056 -22.582 702 3HG2 THR 101 3HG2 THR 101 35.604 31.260 -23.228 No H/Q in entry = 702 Start of MODEL 52 1 H1 TYR 1 H1 TYR 1 44.531 12.080 -44.066 2 H2 TYR 1 H2 TYR 1 44.840 13.286 -45.212 3 H3 TYR 1 H3 TYR 1 43.677 12.097 -45.526 4 HA TYR 1 HA TYR 1 45.155 10.678 -46.316 5 1HB TYR 1 1HB TYR 1 45.932 13.097 -47.008 6 2HB TYR 1 2HB TYR 1 47.318 12.726 -45.988 7 HD1 TYR 1 HD1 TYR 1 45.356 11.338 -48.842 8 HD2 TYR 1 HD2 TYR 1 49.131 11.593 -46.896 9 HE1 TYR 1 HE1 TYR 1 46.392 10.118 -50.706 10 HE2 TYR 1 HE2 TYR 1 50.179 10.374 -48.757 11 HH TYR 1 HH TYR 1 49.817 9.832 -51.038 12 H GLY 2 H GLY 2 45.627 8.966 -45.067 13 1HA GLY 2 1HA GLY 2 47.725 8.002 -44.035 14 2HA GLY 2 2HA GLY 2 47.605 9.343 -42.905 15 H HIS 3 H HIS 3 47.703 7.332 -41.471 16 HA HIS 3 HA HIS 3 44.941 6.571 -40.817 17 1HB HIS 3 1HB HIS 3 47.191 4.823 -41.514 18 2HB HIS 3 2HB HIS 3 46.411 4.393 -39.998 19 HD1 HIS 3 HD1 HIS 3 45.752 4.649 -43.682 20 HD2 HIS 3 HD2 HIS 3 43.872 3.285 -40.238 21 HE1 HIS 3 HE1 HIS 3 43.752 3.347 -44.478 22 HE2 HIS 3 HE2 HIS 3 42.681 2.458 -42.379 23 H CYS 4 H CYS 4 44.488 6.323 -38.625 24 HA CYS 4 HA CYS 4 46.622 7.250 -36.808 25 1HB CYS 4 1HB CYS 4 44.459 7.918 -35.404 26 2HB CYS 4 2HB CYS 4 45.138 8.980 -36.628 27 H VAL 5 H VAL 5 47.264 5.798 -35.366 28 HA VAL 5 HA VAL 5 45.316 3.867 -34.319 29 HB VAL 5 HB VAL 5 46.790 2.904 -36.196 30 1HG1 VAL 5 1HG1 VAL 5 48.885 3.946 -35.321 31 2HG1 VAL 5 2HG1 VAL 5 48.825 2.804 -33.978 32 3HG1 VAL 5 3HG1 VAL 5 49.005 2.213 -35.631 33 1HG2 VAL 5 1HG2 VAL 5 46.000 1.796 -33.621 34 2HG2 VAL 5 2HG2 VAL 5 45.808 1.138 -35.246 35 3HG2 VAL 5 3HG2 VAL 5 47.327 0.913 -34.377 36 H THR 6 H THR 6 45.542 3.387 -32.189 37 HA THR 6 HA THR 6 47.365 5.026 -30.656 38 HB THR 6 HB THR 6 46.212 4.106 -28.679 39 HG1 THR 6 HG1 THR 6 44.210 2.826 -29.389 40 1HG2 THR 6 1HG2 THR 6 44.936 5.561 -30.851 41 2HG2 THR 6 2HG2 THR 6 43.771 4.726 -29.823 42 3HG2 THR 6 3HG2 THR 6 44.908 5.874 -29.116 43 H ASP 7 H ASP 7 47.587 2.041 -32.101 44 HA ASP 7 HA ASP 7 49.356 0.563 -32.042 45 1HB ASP 7 1HB ASP 7 50.581 2.472 -30.814 46 2HB ASP 7 2HB ASP 7 50.161 1.608 -29.337 47 H SER 8 H SER 8 46.807 0.876 -29.959 48 HA SER 8 HA SER 8 47.344 -1.515 -28.397 49 1HB SER 8 1HB SER 8 45.410 0.705 -28.287 50 2HB SER 8 2HB SER 8 44.748 -0.867 -27.840 51 HG SER 8 HG SER 8 46.010 0.652 -26.252 52 H GLY 9 H GLY 9 45.675 -0.582 -31.274 53 1HA GLY 9 1HA GLY 9 45.362 -2.813 -32.598 54 2HA GLY 9 2HA GLY 9 44.171 -3.101 -31.338 55 H VAL 10 H VAL 10 43.850 0.016 -31.493 56 HA VAL 10 HA VAL 10 41.634 -0.116 -33.362 57 HB VAL 10 HB VAL 10 42.252 2.480 -32.111 58 1HG1 VAL 10 1HG1 VAL 10 39.856 0.757 -32.594 59 2HG1 VAL 10 2HG1 VAL 10 39.769 2.112 -31.469 60 3HG1 VAL 10 3HG1 VAL 10 40.190 2.395 -33.158 61 1HG2 VAL 10 1HG2 VAL 10 41.918 -0.005 -30.508 62 2HG2 VAL 10 2HG2 VAL 10 42.874 1.438 -30.170 63 3HG2 VAL 10 3HG2 VAL 10 41.125 1.469 -29.950 64 H VAL 11 H VAL 11 42.368 -0.045 -35.427 65 HA VAL 11 HA VAL 11 44.365 1.921 -36.205 66 HB VAL 11 HB VAL 11 42.925 0.065 -38.082 67 1HG1 VAL 11 1HG1 VAL 11 45.017 1.991 -38.312 68 2HG1 VAL 11 2HG1 VAL 11 45.666 0.392 -38.677 69 3HG1 VAL 11 3HG1 VAL 11 44.275 1.004 -39.572 70 1HG2 VAL 11 1HG2 VAL 11 44.407 -0.772 -35.865 71 2HG2 VAL 11 2HG2 VAL 11 43.926 -1.742 -37.256 72 3HG2 VAL 11 3HG2 VAL 11 45.493 -0.934 -37.245 73 H TYR 12 H TYR 12 43.055 3.781 -35.755 74 HA TYR 12 HA TYR 12 40.612 4.281 -37.129 75 1HB TYR 12 1HB TYR 12 42.564 6.174 -35.804 76 2HB TYR 12 2HB TYR 12 40.973 6.638 -36.395 77 HD1 TYR 12 HD1 TYR 12 38.956 5.367 -35.377 78 HD2 TYR 12 HD2 TYR 12 42.838 5.439 -33.639 79 HE1 TYR 12 HE1 TYR 12 37.987 4.736 -33.204 80 HE2 TYR 12 HE2 TYR 12 41.881 4.807 -31.460 81 HH TYR 12 HH TYR 12 40.036 4.069 -30.404 82 H SER 13 H SER 13 40.709 6.641 -38.323 83 HA SER 13 HA SER 13 42.876 6.658 -40.268 84 1HB SER 13 1HB SER 13 39.996 6.130 -40.901 85 2HB SER 13 2HB SER 13 41.007 6.976 -42.071 86 HG SER 13 HG SER 13 41.569 5.028 -42.630 87 H VAL 14 H VAL 14 43.268 8.640 -41.188 88 HA VAL 14 HA VAL 14 43.073 10.925 -39.881 89 HB VAL 14 HB VAL 14 44.254 10.984 -41.911 90 1HG1 VAL 14 1HG1 VAL 14 42.341 9.364 -42.913 91 2HG1 VAL 14 2HG1 VAL 14 41.957 10.871 -43.744 92 3HG1 VAL 14 3HG1 VAL 14 43.567 10.168 -43.891 93 1HG2 VAL 14 1HG2 VAL 14 42.356 12.955 -41.318 94 2HG2 VAL 14 2HG2 VAL 14 43.821 13.133 -42.284 95 3HG2 VAL 14 3HG2 VAL 14 42.290 12.739 -43.067 96 H GLY 15 H GLY 15 41.180 11.115 -38.654 97 1HA GLY 15 1HA GLY 15 39.312 12.625 -38.507 98 2HA GLY 15 2HA GLY 15 38.905 12.212 -40.160 99 H MET 16 H MET 16 39.653 10.079 -37.428 100 HA MET 16 HA MET 16 36.906 9.030 -37.616 101 1HB MET 16 1HB MET 16 39.474 7.488 -37.248 102 2HB MET 16 2HB MET 16 37.877 6.795 -37.002 103 1HG MET 16 1HG MET 16 37.756 7.977 -39.515 104 2HG MET 16 2HG MET 16 39.345 7.218 -39.446 105 1HE MET 16 1HE MET 16 38.651 4.917 -37.329 106 2HE MET 16 2HE MET 16 38.224 3.543 -38.348 107 3HE MET 16 3HE MET 16 39.629 4.532 -38.746 108 H GLN 17 H GLN 17 37.368 11.015 -35.890 109 HA GLN 17 HA GLN 17 38.362 10.836 -33.439 110 1HB GLN 17 1HB GLN 17 36.311 12.289 -34.576 111 2HB GLN 17 2HB GLN 17 35.514 11.471 -33.239 112 1HG GLN 17 1HG GLN 17 37.828 12.398 -32.094 113 2HG GLN 17 2HG GLN 17 37.402 13.681 -33.226 114 2HE2 GLN 17 1HE2 GLN 17 37.146 12.886 -30.146 115 1HE2 GLN 17 2HE2 GLN 17 35.621 13.592 -29.741 116 H TRP 18 H TRP 18 38.025 9.817 -31.491 117 HA TRP 18 HA TRP 18 35.873 7.865 -31.284 118 1HB TRP 18 1HB TRP 18 37.321 6.045 -30.639 119 2HB TRP 18 2HB TRP 18 37.813 6.638 -32.221 120 HD1 TRP 18 HD1 TRP 18 38.974 6.570 -28.559 121 HE1 TRP 18 HE1 TRP 18 41.487 7.051 -28.507 122 HE3 TRP 18 HE3 TRP 18 39.678 7.761 -33.485 123 HZ2 TRP 18 HZ2 TRP 18 43.524 7.850 -30.316 124 HZ3 TRP 18 HZ3 TRP 18 41.934 8.374 -34.238 125 HH2 TRP 18 HH2 TRP 18 43.814 8.416 -32.684 126 H LEU 19 H LEU 19 36.398 6.659 -28.967 127 HA LEU 19 HA LEU 19 36.570 8.893 -27.055 128 1HB LEU 19 1HB LEU 19 34.367 7.605 -27.403 129 2HB LEU 19 2HB LEU 19 35.151 6.294 -26.549 130 HG LEU 19 HG LEU 19 35.489 7.836 -24.610 131 1HD1 LEU 19 1HD1 LEU 19 35.347 9.935 -25.902 132 2HD1 LEU 19 2HD1 LEU 19 33.624 9.647 -26.135 133 3HD1 LEU 19 3HD1 LEU 19 34.263 9.907 -24.512 134 1HD2 LEU 19 1HD2 LEU 19 33.199 6.459 -25.437 135 2HD2 LEU 19 2HD2 LEU 19 33.619 6.955 -23.797 136 3HD2 LEU 19 3HD2 LEU 19 32.624 8.004 -24.809 137 H LYS 20 H LYS 20 37.711 8.653 -25.160 138 HA LYS 20 HA LYS 20 39.322 6.192 -24.948 139 1HB LYS 20 1HB LYS 20 40.492 8.344 -25.770 140 2HB LYS 20 2HB LYS 20 40.362 8.878 -24.098 141 1HG LYS 20 1HG LYS 20 42.418 7.932 -24.015 142 2HG LYS 20 2HG LYS 20 41.446 6.505 -23.648 143 1HD LYS 20 1HD LYS 20 41.973 7.093 -26.505 144 2HD LYS 20 2HD LYS 20 43.330 6.516 -25.536 145 1HE LYS 20 1HE LYS 20 41.272 4.840 -24.802 146 2HE LYS 20 2HE LYS 20 40.991 5.086 -26.525 147 1HZ LYS 20 1HZ LYS 20 43.366 4.487 -26.873 148 2HZ LYS 20 2HZ LYS 20 43.459 4.059 -25.239 149 3HZ LYS 20 3HZ LYS 20 42.415 3.221 -26.276 150 H THR 21 H THR 21 39.892 5.511 -22.840 151 HA THR 21 HA THR 21 38.673 6.904 -20.585 152 HB THR 21 HB THR 21 37.905 4.103 -21.399 153 HG1 THR 21 HG1 THR 21 36.671 5.912 -22.221 154 1HG2 THR 21 1HG2 THR 21 38.461 4.198 -18.983 155 2HG2 THR 21 2HG2 THR 21 37.280 5.495 -18.792 156 3HG2 THR 21 3HG2 THR 21 36.751 3.886 -19.282 157 H GLN 22 H GLN 22 40.710 4.298 -21.785 158 HA GLN 22 HA GLN 22 41.785 3.663 -19.200 159 1HB GLN 22 1HB GLN 22 42.086 1.782 -20.392 160 2HB GLN 22 2HB GLN 22 41.972 2.633 -21.924 161 1HG GLN 22 1HG GLN 22 44.264 3.152 -21.921 162 2HG GLN 22 2HG GLN 22 44.442 2.680 -20.231 163 2HE2 GLN 22 1HE2 GLN 22 45.101 1.754 -23.282 164 1HE2 GLN 22 2HE2 GLN 22 45.183 0.040 -23.072 165 H GLY 23 H GLY 23 42.808 5.350 -18.264 166 1HA GLY 23 1HA GLY 23 45.432 5.979 -18.957 167 2HA GLY 23 2HA GLY 23 44.410 7.242 -19.625 168 H ASN 24 H ASN 24 42.487 7.477 -17.682 169 HA ASN 24 HA ASN 24 43.694 7.774 -15.088 170 1HB ASN 24 1HB ASN 24 44.271 9.836 -16.691 171 2HB ASN 24 2HB ASN 24 42.678 10.359 -16.155 172 2HD2 ASN 24 1HD2 ASN 24 42.810 9.193 -13.565 173 1HD2 ASN 24 2HD2 ASN 24 43.940 10.117 -12.639 174 H LYS 25 H LYS 25 41.026 9.024 -17.096 175 HA LYS 25 HA LYS 25 39.077 7.751 -15.397 176 1HB LYS 25 1HB LYS 25 37.894 10.080 -15.151 177 2HB LYS 25 2HB LYS 25 39.133 9.589 -14.004 178 1HG LYS 25 1HG LYS 25 40.355 10.926 -16.220 179 2HG LYS 25 2HG LYS 25 39.049 11.917 -15.567 180 1HD LYS 25 1HD LYS 25 40.289 11.021 -13.297 181 2HD LYS 25 2HD LYS 25 41.646 11.222 -14.409 182 1HE LYS 25 1HE LYS 25 41.575 13.427 -14.165 183 2HE LYS 25 2HE LYS 25 39.878 13.459 -14.643 184 1HZ LYS 25 1HZ LYS 25 40.316 12.529 -11.952 185 2HZ LYS 25 2HZ LYS 25 40.812 14.127 -12.204 186 3HZ LYS 25 3HZ LYS 25 39.216 13.674 -12.536 187 H GLN 26 H GLN 26 39.118 10.557 -17.592 188 HA GLN 26 HA GLN 26 37.676 9.028 -19.606 189 1HB GLN 26 1HB GLN 26 36.382 10.906 -17.852 190 2HB GLN 26 2HB GLN 26 36.336 11.513 -19.501 191 1HG GLN 26 1HG GLN 26 35.658 8.703 -19.363 192 2HG GLN 26 2HG GLN 26 34.601 9.694 -18.361 193 2HE2 GLN 26 1HE2 GLN 26 32.847 10.337 -19.364 194 1HE2 GLN 26 2HE2 GLN 26 32.701 10.694 -21.048 195 H MET 27 H MET 27 38.329 9.558 -21.602 196 HA MET 27 HA MET 27 39.293 12.218 -22.201 197 1HB MET 27 1HB MET 27 41.192 10.593 -21.264 198 2HB MET 27 2HB MET 27 41.203 10.058 -22.938 199 1HG MET 27 1HG MET 27 41.211 12.838 -23.069 200 2HG MET 27 2HG MET 27 42.316 12.433 -21.759 201 1HE MET 27 1HE MET 27 43.607 10.155 -22.065 202 2HE MET 27 2HE MET 27 44.592 9.816 -23.487 203 3HE MET 27 3HE MET 27 44.978 11.194 -22.456 204 H LEU 28 H LEU 28 39.535 12.616 -24.450 205 HA LEU 28 HA LEU 28 38.260 10.580 -26.184 206 1HB LEU 28 1HB LEU 28 38.039 13.593 -26.301 207 2HB LEU 28 2HB LEU 28 37.427 12.505 -27.530 208 HG LEU 28 HG LEU 28 36.052 13.492 -25.341 209 1HD1 LEU 28 1HD1 LEU 28 35.541 11.369 -27.361 210 2HD1 LEU 28 2HD1 LEU 28 34.344 11.733 -26.118 211 3HD1 LEU 28 3HD1 LEU 28 34.856 12.991 -27.243 212 1HD2 LEU 28 1HD2 LEU 28 36.801 10.629 -24.887 213 2HD2 LEU 28 2HD2 LEU 28 36.952 11.987 -23.771 214 3HD2 LEU 28 3HD2 LEU 28 35.359 11.367 -24.194 215 H CYS 29 H CYS 29 38.975 10.762 -28.489 216 HA CYS 29 HA CYS 29 41.524 12.155 -28.794 217 1HB CYS 29 1HB CYS 29 41.164 9.196 -28.880 218 2HB CYS 29 2HB CYS 29 42.393 9.947 -29.890 219 H THR 30 H THR 30 41.962 12.872 -30.770 220 HA THR 30 HA THR 30 40.265 11.952 -32.997 221 HB THR 30 HB THR 30 40.958 14.852 -32.489 222 HG1 THR 30 HG1 THR 30 38.834 15.086 -31.852 223 1HG2 THR 30 1HG2 THR 30 39.301 13.474 -34.604 224 2HG2 THR 30 2HG2 THR 30 39.257 15.213 -34.308 225 3HG2 THR 30 3HG2 THR 30 40.754 14.447 -34.840 226 H CYS 31 H CYS 31 41.273 11.758 -34.939 227 HA CYS 31 HA CYS 31 44.118 12.496 -34.992 228 1HB CYS 31 1HB CYS 31 44.421 10.682 -36.640 229 2HB CYS 31 2HB CYS 31 43.838 10.091 -35.090 230 H LEU 32 H LEU 32 44.285 14.342 -36.023 231 HA LEU 32 HA LEU 32 42.490 15.113 -38.125 232 1HB LEU 32 1HB LEU 32 44.358 17.011 -38.263 233 2HB LEU 32 2HB LEU 32 43.103 17.005 -37.038 234 HG LEU 32 HG LEU 32 45.607 15.584 -36.345 235 1HD1 LEU 32 1HD1 LEU 32 45.458 18.571 -36.653 236 2HD1 LEU 32 2HD1 LEU 32 46.656 17.742 -35.658 237 3HD1 LEU 32 3HD1 LEU 32 46.608 17.460 -37.399 238 1HD2 LEU 32 1HD2 LEU 32 43.363 16.915 -35.045 239 2HD2 LEU 32 2HD2 LEU 32 44.421 15.633 -34.452 240 3HD2 LEU 32 3HD2 LEU 32 44.924 17.319 -34.333 241 H GLY 33 H GLY 33 45.904 15.773 -38.489 242 1HA GLY 33 1HA GLY 33 46.073 13.895 -40.740 243 2HA GLY 33 2HA GLY 33 46.363 15.600 -41.044 244 H ASN 34 H ASN 34 47.726 16.142 -38.591 245 HA ASN 34 HA ASN 34 50.330 15.108 -39.320 246 1HB ASN 34 1HB ASN 34 51.241 16.795 -37.943 247 2HB ASN 34 2HB ASN 34 49.823 17.535 -38.680 248 2HD2 ASN 34 1HD2 ASN 34 51.122 16.120 -35.758 249 1HD2 ASN 34 2HD2 ASN 34 49.978 16.833 -34.677 250 H GLY 35 H GLY 35 48.024 14.829 -36.682 251 1HA GLY 35 1HA GLY 35 49.271 12.382 -35.810 252 2HA GLY 35 2HA GLY 35 49.464 13.701 -34.667 253 H VAL 36 H VAL 36 48.160 13.190 -33.027 254 HA VAL 36 HA VAL 36 45.300 12.923 -33.607 255 HB VAL 36 HB VAL 36 46.998 10.946 -32.155 256 1HG1 VAL 36 1HG1 VAL 36 44.443 11.984 -31.115 257 2HG1 VAL 36 2HG1 VAL 36 44.579 10.228 -31.203 258 3HG1 VAL 36 3HG1 VAL 36 45.759 11.158 -30.280 259 1HG2 VAL 36 1HG2 VAL 36 45.435 10.942 -34.434 260 2HG2 VAL 36 2HG2 VAL 36 46.132 9.537 -33.627 261 3HG2 VAL 36 3HG2 VAL 36 44.486 10.044 -33.250 262 H SER 37 H SER 37 44.263 14.472 -32.563 263 HA SER 37 HA SER 37 45.452 15.636 -30.152 264 1HB SER 37 1HB SER 37 44.877 17.183 -31.991 265 2HB SER 37 2HB SER 37 43.193 16.668 -31.885 266 HG SER 37 HG SER 37 43.321 17.401 -29.633 267 H CYS 38 H CYS 38 44.765 14.833 -28.289 268 HA CYS 38 HA CYS 38 42.017 13.809 -28.102 269 1HB CYS 38 1HB CYS 38 44.336 13.316 -26.246 270 2HB CYS 38 2HB CYS 38 42.792 12.512 -26.191 271 H GLN 39 H GLN 39 40.964 14.096 -25.935 272 HA GLN 39 HA GLN 39 41.695 16.652 -24.680 273 1HB GLN 39 1HB GLN 39 39.422 16.192 -26.309 274 2HB GLN 39 2HB GLN 39 38.851 16.343 -24.653 275 1HG GLN 39 2HG GLN 39 40.456 18.437 -24.666 276 2HG GLN 39 1HG GLN 39 38.798 18.524 -25.258 277 2HE2 GLN 39 1HE2 GLN 39 38.469 18.303 -27.564 278 1HE2 GLN 39 2HE2 GLN 39 39.688 18.866 -28.651 279 H GLU 40 H GLU 40 42.090 16.292 -22.608 280 HA GLU 40 HA GLU 40 41.325 13.943 -21.237 281 1HB GLU 40 2HB GLU 40 42.517 14.772 -19.434 282 2HB GLU 40 1HB GLU 40 42.038 16.434 -19.748 283 1HG GLU 40 1HG GLU 40 43.602 15.419 -21.930 284 2HG GLU 40 2HG GLU 40 43.885 16.820 -20.899 285 H THR 41 H THR 41 39.458 13.429 -20.321 286 HA THR 41 HA THR 41 37.507 13.629 -19.126 287 HB THR 41 HB THR 41 37.883 16.626 -19.145 288 HG1 THR 41 HG1 THR 41 39.563 16.182 -17.924 289 1HG2 THR 41 1HG2 THR 41 35.644 15.639 -18.528 290 2HG2 THR 41 2HG2 THR 41 36.445 14.880 -17.152 291 3HG2 THR 41 3HG2 THR 41 36.397 16.639 -17.285 292 H ALA 42 H ALA 42 37.944 16.274 -21.472 293 HA ALA 42 HA ALA 42 36.709 16.932 -23.265 294 1HB ALA 42 1HB ALA 42 36.333 14.096 -23.110 295 2HB ALA 42 2HB ALA 42 34.855 14.870 -23.680 296 3HB ALA 42 3HB ALA 42 36.376 15.143 -24.528 297 H VAL 43 H VAL 43 35.556 18.622 -22.497 298 HA VAL 43 HA VAL 43 32.755 18.160 -21.919 299 HB VAL 43 HB VAL 43 32.649 19.235 -19.825 300 1HG1 VAL 43 1HG1 VAL 43 35.045 17.405 -19.843 301 2HG1 VAL 43 2HG1 VAL 43 34.183 17.914 -18.391 302 3HG1 VAL 43 3HG1 VAL 43 33.358 16.945 -19.613 303 1HG2 VAL 43 1HG2 VAL 43 35.540 19.987 -20.232 304 2HG2 VAL 43 2HG2 VAL 43 34.149 21.072 -20.194 305 3HG2 VAL 43 3HG2 VAL 43 34.650 20.228 -18.728 306 H THR 44 H THR 44 31.655 20.386 -21.527 307 HA THR 44 HA THR 44 32.905 22.714 -22.567 308 HB THR 44 HB THR 44 30.995 22.597 -24.529 309 HG1 THR 44 HG1 THR 44 31.054 20.586 -25.443 310 1HG2 THR 44 1HG2 THR 44 33.928 22.301 -24.384 311 2HG2 THR 44 2HG2 THR 44 33.178 21.788 -25.895 312 3HG2 THR 44 3HG2 THR 44 32.947 23.435 -25.311 313 H GLN 45 H GLN 45 31.684 24.536 -22.242 314 HA GLN 45 HA GLN 45 29.547 24.365 -20.409 315 1HB GLN 45 1HB GLN 45 30.112 26.789 -22.095 316 2HB GLN 45 2HB GLN 45 29.506 26.718 -20.447 317 1HG GLN 45 1HG GLN 45 32.038 25.446 -20.502 318 2HG GLN 45 2HG GLN 45 32.178 26.986 -21.348 319 2HE2 GLN 45 1HE2 GLN 45 32.835 25.738 -18.546 320 1HE2 GLN 45 2HE2 GLN 45 32.430 27.027 -17.470 321 H THR 46 H THR 46 27.411 25.487 -20.787 322 HA THR 46 HA THR 46 26.368 25.270 -23.496 323 HB THR 46 HB THR 46 24.400 23.895 -22.600 324 HG1 THR 46 HG1 THR 46 26.242 22.889 -20.718 325 1HG2 THR 46 1HG2 THR 46 26.880 23.138 -23.707 326 2HG2 THR 46 2HG2 THR 46 26.483 21.932 -22.483 327 3HG2 THR 46 3HG2 THR 46 25.348 22.269 -23.790 328 H TYR 47 H TYR 47 24.881 26.817 -23.872 329 HA TYR 47 HA TYR 47 24.113 28.538 -21.682 330 1HB TYR 47 1HB TYR 47 22.677 29.226 -24.048 331 2HB TYR 47 2HB TYR 47 23.985 30.103 -23.267 332 HD1 TYR 47 HD1 TYR 47 26.378 28.712 -23.749 333 HD2 TYR 47 HD2 TYR 47 22.983 28.999 -26.297 334 HE1 TYR 47 HE1 TYR 47 27.814 28.297 -25.704 335 HE2 TYR 47 HE2 TYR 47 24.409 28.589 -28.255 336 HH TYR 47 HH TYR 47 27.904 28.046 -27.904 337 H GLY 48 H GLY 48 22.073 27.218 -24.280 338 1HA GLY 48 1HA GLY 48 20.415 25.521 -23.118 339 2HA GLY 48 2HA GLY 48 19.885 27.011 -22.355 340 H GLY 49 H GLY 49 20.598 25.782 -25.643 341 1HA GLY 49 1HA GLY 49 19.105 27.554 -27.113 342 2HA GLY 49 2HA GLY 49 19.315 25.867 -27.551 343 H ASN 50 H ASN 50 17.924 24.415 -25.959 344 HA ASN 50 HA ASN 50 15.261 25.586 -25.623 345 1HB ASN 50 1HB ASN 50 15.994 23.719 -27.679 346 2HB ASN 50 2HB ASN 50 14.864 22.947 -26.570 347 2HD2 ASN 50 1HD2 ASN 50 15.343 25.963 -28.364 348 1HD2 ASN 50 2HD2 ASN 50 13.675 26.204 -28.743 349 H SER 51 H SER 51 17.703 24.264 -24.111 350 HA SER 51 HA SER 51 16.001 22.709 -22.284 351 1HB SER 51 1HB SER 51 18.913 22.098 -22.817 352 2HB SER 51 2HB SER 51 17.759 21.130 -21.899 353 HG SER 51 HG SER 51 16.683 20.654 -23.796 354 H ASN 52 H ASN 52 17.683 25.469 -22.642 355 HA ASN 52 HA ASN 52 18.408 27.063 -21.195 356 1HB ASN 52 1HB ASN 52 16.528 26.607 -19.789 357 2HB ASN 52 2HB ASN 52 17.270 25.135 -19.170 358 2HD2 ASN 52 1HD2 ASN 52 18.745 28.301 -19.648 359 1HD2 ASN 52 2HD2 ASN 52 19.113 28.580 -17.984 360 H GLY 53 H GLY 53 19.883 24.329 -21.789 361 1HA GLY 53 1HA GLY 53 22.176 23.910 -21.631 362 2HA GLY 53 2HA GLY 53 22.290 25.136 -20.378 363 H GLU 54 H GLU 54 22.853 22.029 -20.842 364 HA GLU 54 HA GLU 54 22.896 21.377 -18.101 365 1HB GLU 54 1HB GLU 54 21.053 20.097 -17.736 366 2HB GLU 54 2HB GLU 54 20.373 21.151 -18.968 367 1HG GLU 54 1HG GLU 54 20.674 19.498 -20.656 368 2HG GLU 54 2HG GLU 54 21.608 18.475 -19.564 369 HA PRO 55 HA PRO 55 25.841 18.353 -19.293 370 1HB PRO 55 1HB PRO 55 24.320 16.332 -17.724 371 2HB PRO 55 2HB PRO 55 26.019 16.802 -17.606 372 1HG PRO 55 1HG PRO 55 24.256 17.601 -15.776 373 2HG PRO 55 2HG PRO 55 25.549 18.680 -16.331 374 1HD PRO 55 2HD PRO 55 23.753 20.053 -16.794 375 2HD PRO 55 1HD PRO 55 22.644 18.686 -17.023 376 H CYS 56 H CYS 56 25.492 18.006 -21.458 377 HA CYS 56 HA CYS 56 23.406 16.914 -22.789 378 1HB CYS 56 1HB CYS 56 26.219 16.099 -23.483 379 2HB CYS 56 2HB CYS 56 24.869 16.402 -24.570 380 H VAL 57 H VAL 57 23.208 14.726 -23.829 381 HA VAL 57 HA VAL 57 23.823 12.619 -21.862 382 HB VAL 57 HB VAL 57 21.430 13.103 -21.904 383 1HG1 VAL 57 1HG1 VAL 57 21.491 13.911 -24.317 384 2HG1 VAL 57 2HG1 VAL 57 21.362 12.213 -24.772 385 3HG1 VAL 57 3HG1 VAL 57 20.086 12.968 -23.824 386 1HG2 VAL 57 1HG2 VAL 57 22.224 10.788 -21.545 387 2HG2 VAL 57 2HG2 VAL 57 20.620 10.857 -22.274 388 3HG2 VAL 57 3HG2 VAL 57 22.026 10.480 -23.270 389 H LEU 58 H LEU 58 25.825 12.535 -23.273 390 HA LEU 58 HA LEU 58 25.312 10.855 -25.637 391 1HB LEU 58 1HB LEU 58 27.960 11.694 -25.788 392 2HB LEU 58 2HB LEU 58 26.616 12.257 -26.759 393 HG LEU 58 HG LEU 58 27.840 14.135 -25.859 394 1HD1 LEU 58 1HD1 LEU 58 25.113 13.771 -25.683 395 2HD1 LEU 58 2HD1 LEU 58 25.553 14.436 -24.111 396 3HD1 LEU 58 3HD1 LEU 58 25.976 15.306 -25.585 397 1HD2 LEU 58 1HD2 LEU 58 27.855 12.523 -23.466 398 2HD2 LEU 58 2HD2 LEU 58 28.851 13.914 -23.894 399 3HD2 LEU 58 3HD2 LEU 58 27.277 14.157 -23.137 400 HA PRO 59 HA PRO 59 27.600 10.297 -26.977 401 1HB PRO 59 1HB PRO 59 27.600 7.435 -27.553 402 2HB PRO 59 2HB PRO 59 28.826 8.646 -27.926 403 1HG PRO 59 1HG PRO 59 29.204 6.729 -26.056 404 2HG PRO 59 2HG PRO 59 29.927 8.343 -25.931 405 1HD PRO 59 2HD PRO 59 28.799 8.298 -23.912 406 2HD PRO 59 1HD PRO 59 27.529 7.224 -24.537 407 H PHE 60 H PHE 60 25.896 10.752 -28.203 408 HA PHE 60 HA PHE 60 23.518 9.026 -27.985 409 1HB PHE 60 1HB PHE 60 22.291 11.073 -28.877 410 2HB PHE 60 2HB PHE 60 22.913 11.193 -27.235 411 HD1 PHE 60 HD1 PHE 60 24.352 11.741 -30.639 412 HD2 PHE 60 HD2 PHE 60 23.643 13.299 -26.744 413 HE1 PHE 60 HE1 PHE 60 25.546 13.801 -31.249 414 HE2 PHE 60 HE2 PHE 60 24.837 15.364 -27.351 415 HZ PHE 60 HZ PHE 60 25.793 15.610 -29.606 416 H THR 61 H THR 61 22.091 9.448 -30.119 417 HA THR 61 HA THR 61 23.907 9.043 -32.406 418 HB THR 61 HB THR 61 21.281 7.773 -32.670 419 HG1 THR 61 HG1 THR 61 23.074 6.461 -30.927 420 1HG2 THR 61 1HG2 THR 61 24.120 6.784 -32.968 421 2HG2 THR 61 2HG2 THR 61 22.674 5.908 -33.470 422 3HG2 THR 61 3HG2 THR 61 23.101 7.429 -34.256 423 H TYR 62 H TYR 62 23.674 10.503 -33.937 424 HA TYR 62 HA TYR 62 21.019 11.573 -34.532 425 1HB TYR 62 1HB TYR 62 22.073 13.201 -33.017 426 2HB TYR 62 2HB TYR 62 23.461 13.307 -34.095 427 HD1 TYR 62 HD1 TYR 62 19.854 14.055 -33.780 428 HD2 TYR 62 HD2 TYR 62 23.410 14.683 -36.028 429 HE1 TYR 62 HE1 TYR 62 18.735 15.848 -35.035 430 HE2 TYR 62 HE2 TYR 62 22.301 16.481 -37.291 431 HH TYR 62 HH TYR 62 19.440 17.908 -36.332 432 H ASN 63 H ASN 63 20.633 11.713 -36.654 433 HA ASN 63 HA ASN 63 20.953 11.758 -38.910 434 1HB ASN 63 1HB ASN 63 23.013 13.304 -37.980 435 2HB ASN 63 2HB ASN 63 23.878 12.056 -38.872 436 2HD2 ASN 63 1HD2 ASN 63 22.743 15.037 -39.163 437 1HD2 ASN 63 2HD2 ASN 63 22.356 15.077 -40.846 438 H GLY 64 H GLY 64 22.019 9.506 -36.852 439 1HA GLY 64 1HA GLY 64 21.995 7.199 -37.567 440 2HA GLY 64 2HA GLY 64 22.790 7.701 -39.051 441 H ARG 65 H ARG 65 24.419 9.488 -37.008 442 HA ARG 65 HA ARG 65 26.418 7.393 -36.505 443 1HB ARG 65 1HB ARG 65 28.084 9.181 -36.511 444 2HB ARG 65 2HB ARG 65 27.150 9.191 -37.998 445 1HG ARG 65 1HG ARG 65 25.754 10.914 -36.368 446 2HG ARG 65 2HG ARG 65 27.440 11.242 -35.974 447 1HD ARG 65 1HD ARG 65 26.579 12.643 -37.827 448 2HD ARG 65 2HD ARG 65 27.960 11.646 -38.286 449 HE ARG 65 HE ARG 65 25.589 10.266 -38.867 450 1HH1 ARG 65 1HH1 ARG 65 27.426 13.018 -39.948 451 2HH1 ARG 65 2HH1 ARG 65 26.862 12.916 -41.583 452 1HH2 ARG 65 1HH2 ARG 65 24.842 10.119 -41.017 453 2HH2 ARG 65 2HH2 ARG 65 25.393 11.267 -42.190 454 H THR 66 H THR 66 28.015 8.820 -34.700 455 HA THR 66 HA THR 66 26.263 9.306 -32.400 456 HB THR 66 HB THR 66 28.696 7.524 -32.246 457 HG1 THR 66 HG1 THR 66 26.524 6.809 -33.313 458 1HG2 THR 66 1HG2 THR 66 27.559 8.968 -30.254 459 2HG2 THR 66 2HG2 THR 66 26.628 7.474 -30.150 460 3HG2 THR 66 3HG2 THR 66 28.386 7.431 -30.011 461 H PHE 67 H PHE 67 27.094 10.677 -30.830 462 HA PHE 67 HA PHE 67 29.736 11.850 -31.331 463 1HB PHE 67 1HB PHE 67 27.427 13.623 -30.604 464 2HB PHE 67 2HB PHE 67 28.959 14.053 -31.353 465 HD1 PHE 67 HD1 PHE 67 26.053 11.818 -32.110 466 HD2 PHE 67 HD2 PHE 67 28.852 14.689 -33.543 467 HE1 PHE 67 HE1 PHE 67 25.000 11.735 -34.333 468 HE2 PHE 67 HE2 PHE 67 27.802 14.606 -35.767 469 HZ PHE 67 HZ PHE 67 25.875 13.124 -36.162 470 H TYR 68 H TYR 68 30.763 12.718 -29.491 471 HA TYR 68 HA TYR 68 29.657 11.711 -26.969 472 1HB TYR 68 1HB TYR 68 32.473 12.637 -27.554 473 2HB TYR 68 2HB TYR 68 31.918 11.815 -26.101 474 HD1 TYR 68 HD1 TYR 68 30.227 9.686 -27.304 475 HD2 TYR 68 HD2 TYR 68 34.044 11.163 -28.444 476 HE1 TYR 68 HE1 TYR 68 30.756 7.512 -28.327 477 HE2 TYR 68 HE2 TYR 68 34.593 9.002 -29.456 478 HH TYR 68 HH TYR 68 32.277 6.624 -30.081 479 H SER 69 H SER 69 29.019 14.353 -28.375 480 HA SER 69 HA SER 69 28.478 15.915 -26.201 481 1HB SER 69 1HB SER 69 31.304 16.035 -26.900 482 2HB SER 69 2HB SER 69 30.543 17.625 -26.924 483 HG SER 69 HG SER 69 30.035 15.913 -24.766 484 H CYS 70 H CYS 70 28.867 18.492 -26.999 485 HA CYS 70 HA CYS 70 26.875 18.942 -28.839 486 1HB CYS 70 2HB CYS 70 27.675 21.237 -28.938 487 2HB CYS 70 1HB CYS 70 29.233 20.749 -28.286 488 H THR 71 H THR 71 27.001 19.926 -30.989 489 HA THR 71 HA THR 71 29.330 19.736 -32.591 490 HB THR 71 HB THR 71 28.959 17.335 -32.431 491 HG1 THR 71 HG1 THR 71 29.311 17.090 -34.525 492 1HG2 THR 71 1HG2 THR 71 26.183 18.026 -33.383 493 2HG2 THR 71 2HG2 THR 71 26.855 16.399 -33.494 494 3HG2 THR 71 3HG2 THR 71 26.646 17.160 -31.916 495 H THR 72 H THR 72 28.899 20.231 -34.864 496 HA THR 72 HA THR 72 26.352 21.679 -35.176 497 HB THR 72 HB THR 72 27.725 22.911 -37.023 498 HG1 THR 72 HG1 THR 72 29.833 22.109 -35.284 499 1HG2 THR 72 1HG2 THR 72 28.081 23.342 -34.060 500 2HG2 THR 72 2HG2 THR 72 28.607 24.503 -35.281 501 3HG2 THR 72 3HG2 THR 72 26.898 24.099 -35.127 502 H GLU 73 H GLU 73 25.699 19.364 -35.801 503 HA GLU 73 HA GLU 73 26.201 18.961 -38.679 504 1HB GLU 73 1HB GLU 73 25.824 17.004 -36.438 505 2HB GLU 73 2HB GLU 73 25.455 16.543 -38.094 506 1HG GLU 73 1HG GLU 73 28.115 17.613 -37.189 507 2HG GLU 73 2HG GLU 73 27.726 15.899 -37.337 508 H GLY 74 H GLY 74 24.041 20.352 -36.880 509 1HA GLY 74 1HA GLY 74 21.768 19.260 -38.411 510 2HA GLY 74 2HA GLY 74 21.608 19.644 -36.704 511 H ARG 75 H ARG 75 23.653 21.826 -38.249 512 HA ARG 75 HA ARG 75 21.510 23.620 -39.069 513 1HB ARG 75 1HB ARG 75 22.641 25.471 -37.691 514 2HB ARG 75 2HB ARG 75 21.619 24.320 -36.839 515 1HG ARG 75 1HG ARG 75 24.138 23.173 -36.759 516 2HG ARG 75 2HG ARG 75 24.431 24.894 -36.509 517 1HD ARG 75 1HD ARG 75 22.935 22.952 -34.831 518 2HD ARG 75 2HD ARG 75 24.036 24.243 -34.353 519 HE ARG 75 HE ARG 75 21.229 24.417 -34.506 520 1HH1 ARG 75 1HH1 ARG 75 24.102 26.234 -35.252 521 2HH1 ARG 75 2HH1 ARG 75 23.331 27.774 -35.079 522 1HH2 ARG 75 1HH2 ARG 75 20.202 26.442 -34.266 523 2HH2 ARG 75 2HH2 ARG 75 21.115 27.894 -34.513 524 H GLN 76 H GLN 76 22.299 25.531 -40.200 525 HA GLN 76 HA GLN 76 24.830 24.960 -41.580 526 1HB GLN 76 2HB GLN 76 22.844 25.044 -43.011 527 2HB GLN 76 1HB GLN 76 23.960 26.346 -43.400 528 1HG GLN 76 1HG GLN 76 21.351 26.512 -41.930 529 2HG GLN 76 2HG GLN 76 22.536 27.817 -41.907 530 2HE2 GLN 76 1HE2 GLN 76 23.130 28.773 -43.945 531 1HE2 GLN 76 2HE2 GLN 76 21.990 28.803 -45.242 532 H ASP 77 H ASP 77 24.083 26.582 -39.000 533 HA ASP 77 HA ASP 77 25.220 29.168 -39.711 534 1HB ASP 77 1HB ASP 77 23.221 28.713 -38.074 535 2HB ASP 77 2HB ASP 77 24.503 28.394 -36.910 536 H GLY 78 H GLY 78 25.808 26.790 -37.127 537 1HA GLY 78 1HA GLY 78 28.173 25.872 -37.176 538 2HA GLY 78 2HA GLY 78 28.656 27.559 -37.223 539 H HIS 79 H HIS 79 25.990 26.307 -35.309 540 HA HIS 79 HA HIS 79 27.459 27.103 -32.890 541 1HB HIS 79 1HB HIS 79 24.477 26.701 -33.191 542 2HB HIS 79 2HB HIS 79 25.317 27.424 -31.824 543 HD1 HIS 79 HD1 HIS 79 27.146 29.005 -34.184 544 HD2 HIS 79 HD2 HIS 79 23.094 29.243 -33.296 545 HE1 HIS 79 HE1 HIS 79 26.390 31.226 -35.088 546 HE2 HIS 79 HE2 HIS 79 23.952 31.383 -34.468 547 H LEU 80 H LEU 80 28.251 25.521 -31.680 548 HA LEU 80 HA LEU 80 27.739 22.794 -32.117 549 1HB LEU 80 1HB LEU 80 29.102 24.357 -29.957 550 2HB LEU 80 2HB LEU 80 28.800 22.647 -29.721 551 HG LEU 80 HG LEU 80 30.063 22.182 -31.823 552 1HD1 LEU 80 1HD1 LEU 80 30.179 25.132 -31.827 553 2HD1 LEU 80 2HD1 LEU 80 31.658 24.283 -32.276 554 3HD1 LEU 80 3HD1 LEU 80 30.167 23.991 -33.172 555 1HD2 LEU 80 1HD2 LEU 80 31.035 22.932 -29.263 556 2HD2 LEU 80 2HD2 LEU 80 31.735 21.797 -30.418 557 3HD2 LEU 80 3HD2 LEU 80 32.182 23.502 -30.476 558 H TRP 81 H TRP 81 26.152 21.508 -31.457 559 HA TRP 81 HA TRP 81 24.566 22.297 -29.111 560 1HB TRP 81 1HB TRP 81 22.510 21.688 -30.238 561 2HB TRP 81 2HB TRP 81 23.359 22.898 -31.198 562 HD1 TRP 81 HD1 TRP 81 24.138 22.219 -33.607 563 HE1 TRP 81 HE1 TRP 81 23.745 20.145 -35.075 564 HE3 TRP 81 HE3 TRP 81 22.226 19.057 -30.068 565 HZ2 TRP 81 HZ2 TRP 81 22.757 17.521 -34.782 566 HZ3 TRP 81 HZ3 TRP 81 21.582 16.783 -30.748 567 HH2 TRP 81 HH2 TRP 81 21.842 16.032 -33.056 568 H CYS 82 H CYS 82 23.575 20.598 -27.971 569 HA CYS 82 HA CYS 82 24.317 17.871 -28.731 570 1HB CYS 82 1HB CYS 82 25.241 17.341 -26.601 571 2HB CYS 82 2HB CYS 82 26.029 18.824 -27.128 572 H SER 83 H SER 83 23.225 16.282 -27.119 573 HA SER 83 HA SER 83 20.478 17.248 -26.702 574 1HB SER 83 1HB SER 83 20.050 15.489 -28.065 575 2HB SER 83 2HB SER 83 21.603 14.724 -27.728 576 HG SER 83 HG SER 83 19.366 13.879 -26.871 577 H THR 84 H THR 84 19.324 16.574 -24.838 578 HA THR 84 HA THR 84 21.073 15.902 -22.566 579 HB THR 84 HB THR 84 19.748 17.197 -21.135 580 HG1 THR 84 HG1 THR 84 17.657 17.297 -21.396 581 1HG2 THR 84 1HG2 THR 84 21.073 18.594 -22.657 582 2HG2 THR 84 2HG2 THR 84 19.710 18.669 -23.775 583 3HG2 THR 84 3HG2 THR 84 19.582 19.402 -22.175 584 H THR 85 H THR 85 18.452 14.878 -24.468 585 HA THR 85 HA THR 85 17.757 12.812 -22.480 586 HB THR 85 HB THR 85 16.002 14.097 -24.579 587 HG1 THR 85 HG1 THR 85 15.909 13.968 -21.734 588 1HG2 THR 85 1HG2 THR 85 15.873 11.444 -23.427 589 2HG2 THR 85 2HG2 THR 85 14.439 12.392 -23.030 590 3HG2 THR 85 3HG2 THR 85 14.903 12.159 -24.715 591 H SER 86 H SER 86 17.857 10.707 -23.113 592 HA SER 86 HA SER 86 19.461 9.866 -25.167 593 1HB SER 86 1HB SER 86 18.988 7.792 -24.409 594 2HB SER 86 2HB SER 86 18.019 8.614 -23.186 595 HG SER 86 HG SER 86 16.960 6.908 -24.478 596 H ASN 87 H ASN 87 15.934 10.235 -25.222 597 HA ASN 87 HA ASN 87 15.942 9.749 -28.113 598 1HB ASN 87 1HB ASN 87 14.164 9.019 -26.043 599 2HB ASN 87 2HB ASN 87 13.313 10.197 -27.037 600 2HD2 ASN 87 1HD2 ASN 87 13.059 9.763 -29.279 601 1HD2 ASN 87 2HD2 ASN 87 13.075 8.138 -29.864 602 H TYR 88 H TYR 88 17.042 11.918 -28.265 603 HA TYR 88 HA TYR 88 15.544 14.277 -27.696 604 1HB TYR 88 1HB TYR 88 17.741 14.870 -27.811 605 2HB TYR 88 2HB TYR 88 18.127 13.614 -28.980 606 HD1 TYR 88 HD1 TYR 88 17.811 14.018 -31.385 607 HD2 TYR 88 HD2 TYR 88 17.131 17.088 -28.520 608 HE1 TYR 88 HE1 TYR 88 17.880 15.698 -33.179 609 HE2 TYR 88 HE2 TYR 88 17.197 18.776 -30.306 610 HH TYR 88 HH TYR 88 18.363 18.826 -32.753 611 H GLU 89 H GLU 89 15.660 12.026 -30.302 612 HA GLU 89 HA GLU 89 14.728 13.626 -32.402 613 1HB GLU 89 1HB GLU 89 14.515 10.679 -31.832 614 2HB GLU 89 2HB GLU 89 13.811 11.388 -33.278 615 1HG GLU 89 1HG GLU 89 15.780 11.525 -34.299 616 2HG GLU 89 2HG GLU 89 16.570 12.194 -32.871 617 H GLN 90 H GLN 90 13.137 12.352 -29.632 618 HA GLN 90 HA GLN 90 10.527 13.147 -30.739 619 1HB GLN 90 1HB GLN 90 10.130 10.963 -30.181 620 2HB GLN 90 2HB GLN 90 11.365 10.944 -28.932 621 1HG GLN 90 1HG GLN 90 9.288 10.685 -27.844 622 2HG GLN 90 2HG GLN 90 9.822 12.335 -27.525 623 2HE2 GLN 90 1HE2 GLN 90 7.713 12.997 -27.086 624 1HE2 GLN 90 2HE2 GLN 90 6.547 13.225 -28.340 625 H ASP 91 H ASP 91 12.591 13.252 -27.876 626 HA ASP 91 HA ASP 91 10.856 14.984 -26.403 627 1HB ASP 91 1HB ASP 91 13.164 13.464 -25.855 628 2HB ASP 91 2HB ASP 91 13.598 15.138 -25.525 629 H GLN 92 H GLN 92 13.687 15.415 -28.443 630 HA GLN 92 HA GLN 92 14.457 17.248 -29.563 631 1HB GLN 92 1HB GLN 92 11.804 17.786 -29.345 632 2HB GLN 92 2HB GLN 92 12.483 19.149 -28.466 633 1HG GLN 92 2HG GLN 92 14.020 18.937 -30.781 634 2HG GLN 92 1HG GLN 92 12.801 20.155 -30.406 635 2HE2 GLN 92 1HE2 GLN 92 13.374 17.074 -31.972 636 1HE2 GLN 92 2HE2 GLN 92 12.005 17.138 -33.022 637 H LYS 93 H LYS 93 14.620 16.703 -26.451 638 HA LYS 93 HA LYS 93 15.354 19.215 -25.333 639 1HB LYS 93 1HB LYS 93 15.737 16.358 -24.486 640 2HB LYS 93 2HB LYS 93 16.486 17.671 -23.592 641 1HG LYS 93 1HG LYS 93 14.133 16.716 -22.919 642 2HG LYS 93 2HG LYS 93 14.506 18.435 -22.769 643 1HD LYS 93 1HD LYS 93 13.397 18.907 -24.855 644 2HD LYS 93 2HD LYS 93 13.148 17.187 -25.156 645 1HE LYS 93 1HE LYS 93 11.448 17.028 -23.637 646 2HE LYS 93 2HE LYS 93 12.084 18.325 -22.626 647 1HZ LYS 93 1HZ LYS 93 11.462 19.687 -24.813 648 2HZ LYS 93 2HZ LYS 93 10.299 18.463 -24.916 649 3HZ LYS 93 3HZ LYS 93 10.375 19.445 -23.541 650 H TYR 94 H TYR 94 16.895 20.259 -26.498 651 HA TYR 94 HA TYR 94 19.535 18.962 -26.619 652 1HB TYR 94 2HB TYR 94 18.314 19.167 -28.857 653 2HB TYR 94 1HB TYR 94 19.953 19.804 -28.781 654 HD1 TYR 94 HD1 TYR 94 20.110 22.372 -28.163 655 HD2 TYR 94 HD2 TYR 94 16.665 20.489 -29.802 656 HE1 TYR 94 HE1 TYR 94 19.305 24.555 -28.962 657 HE2 TYR 94 HE2 TYR 94 15.853 22.664 -30.609 658 HH TYR 94 HH TYR 94 16.202 25.129 -29.926 659 H SER 95 H SER 95 21.348 20.454 -26.707 660 HA SER 95 HA SER 95 20.777 23.096 -25.544 661 1HB SER 95 1HB SER 95 23.229 22.349 -24.459 662 2HB SER 95 2HB SER 95 21.685 22.384 -23.608 663 HG SER 95 HG SER 95 21.415 20.172 -24.437 664 H PHE 96 H PHE 96 23.303 24.092 -25.370 665 HA PHE 96 HA PHE 96 24.367 23.849 -28.105 666 1HB PHE 96 1HB PHE 96 23.728 26.322 -26.526 667 2HB PHE 96 2HB PHE 96 24.965 26.350 -27.778 668 HD1 PHE 96 HD1 PHE 96 24.187 25.284 -30.080 669 HD2 PHE 96 HD2 PHE 96 21.590 26.889 -27.115 670 HE1 PHE 96 HE1 PHE 96 22.450 25.622 -31.791 671 HE2 PHE 96 HE2 PHE 96 19.850 27.228 -28.817 672 HZ PHE 96 HZ PHE 96 20.276 26.593 -31.160 673 H CYS 97 H CYS 97 26.551 25.401 -27.990 674 HA CYS 97 HA CYS 97 28.081 24.870 -25.603 675 1HB CYS 97 1HB CYS 97 28.286 23.165 -27.992 676 2HB CYS 97 2HB CYS 97 29.826 23.776 -27.397 677 H THR 98 H THR 98 29.684 26.308 -25.349 678 HA THR 98 HA THR 98 29.961 28.384 -27.355 679 HB THR 98 HB THR 98 30.330 29.713 -25.609 680 HG1 THR 98 HG1 THR 98 32.472 29.667 -25.591 681 1HG2 THR 98 1HG2 THR 98 29.016 28.073 -24.313 682 2HG2 THR 98 2HG2 THR 98 30.512 27.257 -23.862 683 3HG2 THR 98 3HG2 THR 98 30.212 28.909 -23.322 684 H ASP 99 H ASP 99 31.635 25.567 -26.361 685 HA ASP 99 HA ASP 99 33.542 24.563 -27.085 686 1HB ASP 99 1HB ASP 99 34.036 26.533 -29.245 687 2HB ASP 99 2HB ASP 99 34.038 24.773 -29.302 688 H HIS 100 H HIS 100 34.231 27.941 -27.979 689 HA HIS 100 HA HIS 100 36.830 28.140 -27.371 690 1HB HIS 100 1HB HIS 100 34.610 30.010 -27.402 691 2HB HIS 100 2HB HIS 100 35.834 30.483 -26.228 692 HD1 HIS 100 HD1 HIS 100 38.176 29.224 -28.128 693 HD2 HIS 100 HD2 HIS 100 35.367 32.128 -29.099 694 HE1 HIS 100 HE1 HIS 100 39.176 30.513 -30.042 695 HE2 HIS 100 HE2 HIS 100 37.425 32.213 -30.665 696 H THR 101 H THR 101 34.405 29.025 -24.925 697 HA THR 101 HA THR 101 36.356 28.535 -22.819 698 HB THR 101 HB THR 101 34.596 29.426 -21.300 699 HG1 THR 101 HG1 THR 101 33.141 30.230 -23.575 700 1HG2 THR 101 1HG2 THR 101 35.304 31.133 -23.688 701 2HG2 THR 101 2HG2 THR 101 34.660 31.752 -22.167 702 3HG2 THR 101 3HG2 THR 101 36.235 30.958 -22.200 No H/Q in entry = 702 Start of MODEL 53 1 H1 TYR 1 H1 TYR 1 52.246 6.180 -40.835 2 H2 TYR 1 H2 TYR 1 52.359 5.697 -42.452 3 H3 TYR 1 H3 TYR 1 53.756 5.815 -41.505 4 HA TYR 1 HA TYR 1 53.622 8.155 -41.392 5 1HB TYR 1 1HB TYR 1 53.462 6.761 -43.994 6 2HB TYR 1 2HB TYR 1 53.232 8.505 -44.060 7 HD1 TYR 1 HD1 TYR 1 55.391 6.864 -41.571 8 HD2 TYR 1 HD2 TYR 1 55.254 8.964 -45.269 9 HE1 TYR 1 HE1 TYR 1 57.828 7.181 -41.476 10 HE2 TYR 1 HE2 TYR 1 57.689 9.286 -45.184 11 HH TYR 1 HH TYR 1 59.624 8.445 -44.166 12 H GLY 2 H GLY 2 51.614 8.544 -40.166 13 1HA GLY 2 1HA GLY 2 50.013 10.437 -40.575 14 2HA GLY 2 2HA GLY 2 49.426 9.473 -41.921 15 H HIS 3 H HIS 3 49.109 7.008 -40.971 16 HA HIS 3 HA HIS 3 46.712 7.005 -39.655 17 1HB HIS 3 1HB HIS 3 48.849 4.986 -40.069 18 2HB HIS 3 2HB HIS 3 47.652 4.623 -38.831 19 HD1 HIS 3 HD1 HIS 3 47.723 5.625 -42.499 20 HD2 HIS 3 HD2 HIS 3 45.398 3.476 -39.810 21 HE1 HIS 3 HE1 HIS 3 45.894 4.583 -43.874 22 HE2 HIS 3 HE2 HIS 3 44.522 3.253 -42.232 23 H CYS 4 H CYS 4 46.052 6.543 -37.510 24 HA CYS 4 HA CYS 4 48.026 7.372 -35.483 25 1HB CYS 4 1HB CYS 4 45.651 7.759 -34.236 26 2HB CYS 4 2HB CYS 4 46.484 8.993 -35.168 27 H VAL 5 H VAL 5 47.824 6.413 -33.348 28 HA VAL 5 HA VAL 5 46.329 3.923 -33.160 29 HB VAL 5 HB VAL 5 48.184 2.519 -32.684 30 1HG1 VAL 5 1HG1 VAL 5 48.850 4.209 -35.091 31 2HG1 VAL 5 2HG1 VAL 5 49.468 2.589 -34.771 32 3HG1 VAL 5 3HG1 VAL 5 47.745 2.835 -35.056 33 1HG2 VAL 5 1HG2 VAL 5 49.493 4.982 -32.055 34 2HG2 VAL 5 2HG2 VAL 5 49.994 3.332 -31.685 35 3HG2 VAL 5 3HG2 VAL 5 50.473 4.078 -33.209 36 H THR 6 H THR 6 47.393 2.855 -30.906 37 HA THR 6 HA THR 6 47.995 4.702 -28.854 38 HB THR 6 HB THR 6 45.657 5.400 -29.196 39 HG1 THR 6 HG1 THR 6 46.806 4.832 -26.950 40 1HG2 THR 6 1HG2 THR 6 45.203 2.638 -29.492 41 2HG2 THR 6 2HG2 THR 6 44.349 3.127 -28.027 42 3HG2 THR 6 3HG2 THR 6 44.013 3.939 -29.556 43 H ASP 7 H ASP 7 49.395 3.319 -27.927 44 HA ASP 7 HA ASP 7 50.086 1.636 -26.544 45 1HB ASP 7 1HB ASP 7 47.403 1.797 -25.965 46 2HB ASP 7 2HB ASP 7 47.581 0.114 -26.453 47 H SER 8 H SER 8 49.243 1.406 -29.620 48 HA SER 8 HA SER 8 49.774 -0.053 -31.287 49 1HB SER 8 1HB SER 8 51.467 -1.604 -30.948 50 2HB SER 8 2HB SER 8 51.735 -0.501 -29.598 51 HG SER 8 HG SER 8 50.727 -3.104 -29.607 52 H GLY 9 H GLY 9 47.278 -0.213 -29.701 53 1HA GLY 9 1HA GLY 9 46.597 -3.041 -30.220 54 2HA GLY 9 2HA GLY 9 45.827 -2.060 -28.981 55 H VAL 10 H VAL 10 45.992 0.188 -31.122 56 HA VAL 10 HA VAL 10 43.760 -0.709 -32.809 57 HB VAL 10 HB VAL 10 43.780 1.998 -31.485 58 1HG1 VAL 10 1HG1 VAL 10 41.630 0.437 -32.911 59 2HG1 VAL 10 2HG1 VAL 10 41.417 2.013 -32.150 60 3HG1 VAL 10 3HG1 VAL 10 42.491 1.842 -33.538 61 1HG2 VAL 10 1HG2 VAL 10 42.344 -0.503 -30.601 62 2HG2 VAL 10 2HG2 VAL 10 43.620 0.343 -29.725 63 3HG2 VAL 10 3HG2 VAL 10 42.051 1.114 -29.963 64 H VAL 11 H VAL 11 43.688 0.170 -34.850 65 HA VAL 11 HA VAL 11 45.946 1.926 -35.567 66 HB VAL 11 HB VAL 11 44.565 0.076 -37.498 67 1HG1 VAL 11 1HG1 VAL 11 46.807 1.943 -37.571 68 2HG1 VAL 11 2HG1 VAL 11 47.192 0.355 -38.232 69 3HG1 VAL 11 3HG1 VAL 11 45.841 1.278 -38.888 70 1HG2 VAL 11 1HG2 VAL 11 46.824 -0.523 -35.610 71 2HG2 VAL 11 2HG2 VAL 11 45.346 -1.444 -35.888 72 3HG2 VAL 11 3HG2 VAL 11 46.607 -1.407 -37.120 73 H TYR 12 H TYR 12 44.788 3.847 -35.286 74 HA TYR 12 HA TYR 12 42.315 4.281 -36.723 75 1HB TYR 12 1HB TYR 12 44.062 6.088 -35.048 76 2HB TYR 12 2HB TYR 12 42.590 6.637 -35.839 77 HD1 TYR 12 HD1 TYR 12 40.401 5.540 -35.197 78 HD2 TYR 12 HD2 TYR 12 43.989 5.006 -32.978 79 HE1 TYR 12 HE1 TYR 12 39.083 4.783 -33.262 80 HE2 TYR 12 HE2 TYR 12 42.683 4.246 -31.034 81 HH TYR 12 HH TYR 12 40.655 3.901 -30.199 82 H SER 13 H SER 13 42.516 6.822 -37.678 83 HA SER 13 HA SER 13 44.759 6.833 -39.560 84 1HB SER 13 1HB SER 13 41.851 6.689 -40.242 85 2HB SER 13 2HB SER 13 42.934 7.596 -41.296 86 HG SER 13 HG SER 13 43.807 5.793 -41.961 87 H VAL 14 H VAL 14 45.379 8.853 -40.295 88 HA VAL 14 HA VAL 14 45.275 11.000 -38.649 89 HB VAL 14 HB VAL 14 46.797 11.030 -40.484 90 1HG1 VAL 14 1HG1 VAL 14 44.654 10.090 -41.976 91 2HG1 VAL 14 2HG1 VAL 14 45.000 11.681 -42.656 92 3HG1 VAL 14 3HG1 VAL 14 46.272 10.462 -42.571 93 1HG2 VAL 14 1HG2 VAL 14 45.085 13.223 -39.896 94 2HG2 VAL 14 2HG2 VAL 14 46.771 13.249 -40.411 95 3HG2 VAL 14 3HG2 VAL 14 45.482 13.274 -41.613 96 H GLY 15 H GLY 15 43.209 11.275 -37.760 97 1HA GLY 15 1HA GLY 15 41.551 13.084 -37.881 98 2HA GLY 15 2HA GLY 15 41.302 12.633 -39.559 99 H MET 16 H MET 16 41.732 10.021 -37.389 100 HA MET 16 HA MET 16 38.833 9.519 -37.456 101 1HB MET 16 1HB MET 16 40.821 7.948 -38.483 102 2HB MET 16 2HB MET 16 40.600 7.238 -36.889 103 1HG MET 16 1HG MET 16 38.107 7.779 -38.318 104 2HG MET 16 2HG MET 16 39.161 6.605 -39.107 105 1HE MET 16 1HE MET 16 39.721 4.485 -38.453 106 2HE MET 16 2HE MET 16 40.415 4.622 -36.838 107 3HE MET 16 3HE MET 16 39.059 3.532 -37.126 108 H GLN 17 H GLN 17 39.424 11.120 -35.468 109 HA GLN 17 HA GLN 17 40.473 10.231 -33.101 110 1HB GLN 17 1HB GLN 17 38.778 11.726 -31.981 111 2HB GLN 17 2HB GLN 17 39.726 12.486 -33.252 112 1HG GLN 17 2HG GLN 17 37.428 11.430 -34.476 113 2HG GLN 17 1HG GLN 17 37.861 13.122 -34.238 114 2HE2 GLN 17 1HE2 GLN 17 35.835 10.543 -33.262 115 1HE2 GLN 17 2HE2 GLN 17 34.918 11.409 -32.080 116 H TRP 18 H TRP 18 38.885 9.912 -31.061 117 HA TRP 18 HA TRP 18 36.671 8.170 -31.560 118 1HB TRP 18 1HB TRP 18 37.674 6.168 -30.470 119 2HB TRP 18 2HB TRP 18 38.426 6.577 -32.004 120 HD1 TRP 18 HD1 TRP 18 39.167 6.237 -28.321 121 HE1 TRP 18 HE1 TRP 18 41.683 6.551 -27.934 122 HE3 TRP 18 HE3 TRP 18 40.507 7.881 -32.973 123 HZ2 TRP 18 HZ2 TRP 18 43.959 7.397 -29.413 124 HZ3 TRP 18 HZ3 TRP 18 42.865 8.414 -33.404 125 HH2 TRP 18 HH2 TRP 18 44.550 8.172 -31.658 126 H LEU 19 H LEU 19 36.708 6.790 -29.085 127 HA LEU 19 HA LEU 19 36.737 8.941 -27.084 128 1HB LEU 19 1HB LEU 19 34.510 9.008 -27.639 129 2HB LEU 19 2HB LEU 19 34.424 7.298 -28.001 130 HG LEU 19 HG LEU 19 34.908 7.313 -25.290 131 1HD1 LEU 19 1HD1 LEU 19 33.626 9.840 -26.103 132 2HD1 LEU 19 2HD1 LEU 19 32.865 8.976 -24.762 133 3HD1 LEU 19 3HD1 LEU 19 34.562 9.447 -24.659 134 1HD2 LEU 19 1HD2 LEU 19 32.995 6.392 -27.041 135 2HD2 LEU 19 2HD2 LEU 19 33.028 6.106 -25.301 136 3HD2 LEU 19 3HD2 LEU 19 32.080 7.440 -25.959 137 H LYS 20 H LYS 20 36.933 8.257 -24.937 138 HA LYS 20 HA LYS 20 37.242 5.414 -24.403 139 1HB LYS 20 1HB LYS 20 39.480 5.445 -23.730 140 2HB LYS 20 2HB LYS 20 39.481 6.388 -25.215 141 1HG LYS 20 1HG LYS 20 39.811 8.389 -24.098 142 2HG LYS 20 2HG LYS 20 39.222 7.747 -22.564 143 1HD LYS 20 1HD LYS 20 41.400 6.143 -23.195 144 2HD LYS 20 2HD LYS 20 41.906 7.771 -23.651 145 1HE LYS 20 1HE LYS 20 40.751 8.265 -21.261 146 2HE LYS 20 2HE LYS 20 41.345 6.628 -20.991 147 1HZ LYS 20 1HZ LYS 20 43.136 8.648 -22.157 148 2HZ LYS 20 2HZ LYS 20 42.862 8.644 -20.488 149 3HZ LYS 20 3HZ LYS 20 43.520 7.280 -21.241 150 H THR 21 H THR 21 37.094 4.868 -22.223 151 HA THR 21 HA THR 21 36.121 7.048 -20.504 152 HB THR 21 HB THR 21 35.589 4.383 -19.487 153 HG1 THR 21 HG1 THR 21 34.152 3.763 -21.139 154 1HG2 THR 21 1HG2 THR 21 34.087 6.892 -20.081 155 2HG2 THR 21 2HG2 THR 21 33.184 5.404 -19.797 156 3HG2 THR 21 3HG2 THR 21 34.272 6.026 -18.557 157 H GLN 22 H GLN 22 36.730 7.095 -18.296 158 HA GLN 22 HA GLN 22 39.192 5.595 -17.689 159 1HB GLN 22 1HB GLN 22 38.519 8.487 -17.231 160 2HB GLN 22 2HB GLN 22 39.713 7.675 -16.228 161 1HG GLN 22 1HG GLN 22 39.997 7.443 -19.168 162 2HG GLN 22 2HG GLN 22 40.370 8.995 -18.421 163 2HE2 GLN 22 1HE2 GLN 22 42.009 9.058 -16.794 164 1HE2 GLN 22 2HE2 GLN 22 43.272 7.880 -16.786 165 H GLY 23 H GLY 23 36.415 4.933 -17.051 166 1HA GLY 23 1HA GLY 23 35.808 3.674 -15.102 167 2HA GLY 23 2HA GLY 23 36.723 4.811 -14.127 168 H ASN 24 H ASN 24 35.861 7.125 -14.268 169 HA ASN 24 HA ASN 24 32.917 7.077 -14.283 170 1HB ASN 24 1HB ASN 24 34.037 7.117 -11.978 171 2HB ASN 24 2HB ASN 24 34.535 8.757 -12.377 172 2HD2 ASN 24 1HD2 ASN 24 33.314 10.052 -11.201 173 1HD2 ASN 24 2HD2 ASN 24 31.590 9.989 -11.089 174 H LYS 25 H LYS 25 35.413 8.195 -15.934 175 HA LYS 25 HA LYS 25 34.104 10.769 -16.516 176 1HB LYS 25 1HB LYS 25 37.067 10.165 -16.526 177 2HB LYS 25 2HB LYS 25 36.350 11.662 -17.107 178 1HG LYS 25 1HG LYS 25 36.262 12.501 -15.058 179 2HG LYS 25 2HG LYS 25 35.453 11.062 -14.434 180 1HD LYS 25 1HD LYS 25 37.476 10.001 -13.932 181 2HD LYS 25 2HD LYS 25 38.404 11.076 -14.981 182 1HE LYS 25 1HE LYS 25 37.485 12.908 -13.311 183 2HE LYS 25 2HE LYS 25 37.369 11.522 -12.227 184 1HZ LYS 25 1HZ LYS 25 39.867 11.982 -13.705 185 2HZ LYS 25 2HZ LYS 25 39.538 12.919 -12.336 186 3HZ LYS 25 3HZ LYS 25 39.630 11.234 -12.207 187 H GLN 26 H GLN 26 34.932 11.599 -18.755 188 HA GLN 26 HA GLN 26 35.024 9.340 -20.639 189 1HB GLN 26 2HB GLN 26 33.415 10.337 -22.055 190 2HB GLN 26 1HB GLN 26 33.503 11.875 -21.208 191 1HG GLN 26 1HG GLN 26 32.712 10.028 -19.279 192 2HG GLN 26 2HG GLN 26 31.719 11.261 -20.057 193 2HE2 GLN 26 1HE2 GLN 26 32.235 7.958 -19.606 194 1HE2 GLN 26 2HE2 GLN 26 31.087 7.367 -20.753 195 H MET 27 H MET 27 36.943 9.430 -21.604 196 HA MET 27 HA MET 27 38.057 12.070 -22.269 197 1HB MET 27 1HB MET 27 39.292 10.249 -20.809 198 2HB MET 27 2HB MET 27 39.697 9.580 -22.382 199 1HG MET 27 1HG MET 27 40.173 12.423 -22.300 200 2HG MET 27 2HG MET 27 41.044 11.579 -21.018 201 1HE MET 27 1HE MET 27 43.119 11.650 -21.320 202 2HE MET 27 2HE MET 27 44.072 10.705 -22.464 203 3HE MET 27 3HE MET 27 43.671 12.384 -22.825 204 H LEU 28 H LEU 28 38.498 12.608 -24.327 205 HA LEU 28 HA LEU 28 37.829 10.628 -26.418 206 1HB LEU 28 2HB LEU 28 37.224 12.493 -27.821 207 2HB LEU 28 1HB LEU 28 37.742 13.632 -26.588 208 HG LEU 28 HG LEU 28 35.924 13.175 -25.235 209 1HD1 LEU 28 1HD1 LEU 28 35.385 14.155 -27.558 210 2HD1 LEU 28 2HD1 LEU 28 34.631 12.586 -27.843 211 3HD1 LEU 28 3HD1 LEU 28 34.057 13.608 -26.530 212 1HD2 LEU 28 1HD2 LEU 28 36.266 10.673 -25.406 213 2HD2 LEU 28 2HD2 LEU 28 34.616 11.248 -25.207 214 3HD2 LEU 28 3HD2 LEU 28 35.187 10.736 -26.795 215 H CYS 29 H CYS 29 39.249 10.202 -27.954 216 HA CYS 29 HA CYS 29 41.806 11.674 -27.896 217 1HB CYS 29 1HB CYS 29 41.210 8.763 -28.031 218 2HB CYS 29 2HB CYS 29 42.626 9.356 -28.890 219 H THR 30 H THR 30 42.220 12.782 -29.664 220 HA THR 30 HA THR 30 41.130 11.804 -32.222 221 HB THR 30 HB THR 30 41.585 14.669 -31.371 222 HG1 THR 30 HG1 THR 30 39.388 14.796 -31.363 223 1HG2 THR 30 1HG2 THR 30 41.162 13.418 -34.034 224 2HG2 THR 30 2HG2 THR 30 40.312 14.926 -33.697 225 3HG2 THR 30 3HG2 THR 30 42.072 14.865 -33.595 226 H CYS 31 H CYS 31 42.445 11.747 -33.982 227 HA CYS 31 HA CYS 31 45.266 12.405 -33.476 228 1HB CYS 31 1HB CYS 31 45.812 10.699 -35.190 229 2HB CYS 31 2HB CYS 31 44.997 10.030 -33.781 230 H LEU 32 H LEU 32 45.618 14.322 -34.311 231 HA LEU 32 HA LEU 32 44.290 15.262 -36.676 232 1HB LEU 32 1HB LEU 32 46.118 17.151 -36.296 233 2HB LEU 32 2HB LEU 32 44.657 17.054 -35.332 234 HG LEU 32 HG LEU 32 46.949 15.546 -34.258 235 1HD1 LEU 32 1HD1 LEU 32 47.187 18.369 -34.973 236 2HD1 LEU 32 2HD1 LEU 32 47.552 18.006 -33.285 237 3HD1 LEU 32 3HD1 LEU 32 48.429 17.181 -34.574 238 1HD2 LEU 32 1HD2 LEU 32 44.745 15.849 -33.131 239 2HD2 LEU 32 2HD2 LEU 32 46.124 16.391 -32.174 240 3HD2 LEU 32 3HD2 LEU 32 45.107 17.571 -32.999 241 H GLY 33 H GLY 33 47.689 15.966 -36.337 242 1HA GLY 33 1HA GLY 33 48.303 14.227 -38.626 243 2HA GLY 33 2HA GLY 33 48.656 15.944 -38.734 244 H ASN 34 H ASN 34 49.548 16.317 -36.068 245 HA ASN 34 HA ASN 34 52.248 15.441 -36.365 246 1HB ASN 34 1HB ASN 34 52.763 16.880 -34.627 247 2HB ASN 34 2HB ASN 34 51.287 17.613 -35.243 248 2HD2 ASN 34 1HD2 ASN 34 52.638 15.591 -32.726 249 1HD2 ASN 34 2HD2 ASN 34 51.384 15.862 -31.570 250 H GLY 35 H GLY 35 49.510 14.477 -34.392 251 1HA GLY 35 1HA GLY 35 50.579 11.880 -33.963 252 2HA GLY 35 2HA GLY 35 50.764 12.860 -32.516 253 H VAL 36 H VAL 36 49.160 12.767 -31.102 254 HA VAL 36 HA VAL 36 46.415 12.487 -32.020 255 HB VAL 36 HB VAL 36 47.859 10.381 -30.465 256 1HG1 VAL 36 1HG1 VAL 36 44.981 11.147 -30.055 257 2HG1 VAL 36 2HG1 VAL 36 45.593 9.527 -29.718 258 3HG1 VAL 36 3HG1 VAL 36 46.235 10.914 -28.837 259 1HG2 VAL 36 1HG2 VAL 36 46.746 10.539 -32.976 260 2HG2 VAL 36 2HG2 VAL 36 47.210 9.062 -32.130 261 3HG2 VAL 36 3HG2 VAL 36 45.548 9.642 -32.044 262 H SER 37 H SER 37 45.226 13.911 -30.972 263 HA SER 37 HA SER 37 46.082 14.774 -28.288 264 1HB SER 37 1HB SER 37 46.190 16.583 -29.930 265 2HB SER 37 2HB SER 37 44.511 16.297 -30.383 266 HG SER 37 HG SER 37 44.863 18.040 -28.848 267 H CYS 38 H CYS 38 44.784 14.263 -26.648 268 HA CYS 38 HA CYS 38 42.018 13.486 -27.273 269 1HB CYS 38 1HB CYS 38 43.534 12.677 -24.803 270 2HB CYS 38 2HB CYS 38 42.079 11.953 -25.460 271 H GLN 39 H GLN 39 40.605 13.645 -25.171 272 HA GLN 39 HA GLN 39 41.148 16.145 -23.743 273 1HB GLN 39 1HB GLN 39 38.918 15.618 -25.625 274 2HB GLN 39 2HB GLN 39 38.497 16.435 -24.126 275 1HG GLN 39 1HG GLN 39 39.858 18.271 -24.608 276 2HG GLN 39 2HG GLN 39 40.743 17.399 -25.858 277 2HE2 GLN 39 1HE2 GLN 39 37.460 18.478 -25.061 278 1HE2 GLN 39 2HE2 GLN 39 37.016 18.889 -26.679 279 H GLU 40 H GLU 40 41.196 15.522 -21.685 280 HA GLU 40 HA GLU 40 39.766 13.255 -20.703 281 1HB GLU 40 1HB GLU 40 40.603 14.053 -18.468 282 2HB GLU 40 2HB GLU 40 41.852 13.761 -19.671 283 1HG GLU 40 1HG GLU 40 42.397 15.959 -19.847 284 2HG GLU 40 2HG GLU 40 40.770 16.510 -19.453 285 H THR 41 H THR 41 37.746 13.150 -20.023 286 HA THR 41 HA THR 41 35.794 13.714 -18.961 287 HB THR 41 HB THR 41 36.909 16.502 -18.626 288 HG1 THR 41 HG1 THR 41 37.509 15.777 -16.553 289 1HG2 THR 41 1HG2 THR 41 34.525 15.049 -17.531 290 2HG2 THR 41 2HG2 THR 41 35.245 16.406 -16.665 291 3HG2 THR 41 3HG2 THR 41 34.604 16.638 -18.292 292 H ALA 42 H ALA 42 37.069 16.212 -21.148 293 HA ALA 42 HA ALA 42 36.143 17.233 -22.967 294 1HB ALA 42 3HB ALA 42 35.562 15.138 -23.875 295 2HB ALA 42 1HB ALA 42 34.258 14.905 -22.709 296 3HB ALA 42 2HB ALA 42 34.098 16.116 -23.981 297 H VAL 43 H VAL 43 32.984 16.175 -21.904 298 HA VAL 43 HA VAL 43 31.108 17.407 -21.429 299 HB VAL 43 HB VAL 43 31.228 18.650 -19.344 300 1HG1 VAL 43 1HG1 VAL 43 32.654 16.037 -19.557 301 2HG1 VAL 43 2HG1 VAL 43 32.548 16.845 -17.992 302 3HG1 VAL 43 3HG1 VAL 43 31.076 16.404 -18.860 303 1HG2 VAL 43 1HG2 VAL 43 33.459 19.722 -19.968 304 2HG2 VAL 43 2HG2 VAL 43 33.221 19.278 -18.278 305 3HG2 VAL 43 3HG2 VAL 43 34.205 18.259 -19.327 306 H THR 44 H THR 44 30.548 19.891 -20.600 307 HA THR 44 HA THR 44 31.978 21.911 -22.049 308 HB THR 44 HB THR 44 29.819 22.511 -23.382 309 HG1 THR 44 HG1 THR 44 29.514 19.685 -23.203 310 1HG2 THR 44 1HG2 THR 44 32.146 21.594 -24.162 311 2HG2 THR 44 2HG2 THR 44 31.234 20.118 -24.478 312 3HG2 THR 44 3HG2 THR 44 30.785 21.621 -25.283 313 H GLN 45 H GLN 45 30.256 23.922 -22.232 314 HA GLN 45 HA GLN 45 29.577 24.447 -19.460 315 1HB GLN 45 1HB GLN 45 29.529 26.203 -21.918 316 2HB GLN 45 2HB GLN 45 29.107 26.757 -20.303 317 1HG GLN 45 1HG GLN 45 31.613 25.504 -20.089 318 2HG GLN 45 2HG GLN 45 31.677 26.525 -21.524 319 2HE2 GLN 45 1HE2 GLN 45 30.518 26.637 -18.169 320 1HE2 GLN 45 2HE2 GLN 45 31.040 28.257 -17.864 321 H THR 46 H THR 46 27.922 24.353 -22.597 322 HA THR 46 HA THR 46 25.726 24.165 -23.163 323 HB THR 46 HB THR 46 24.310 23.138 -21.097 324 HG1 THR 46 HG1 THR 46 25.593 22.070 -19.714 325 1HG2 THR 46 1HG2 THR 46 26.112 21.825 -23.105 326 2HG2 THR 46 2HG2 THR 46 25.139 20.867 -21.989 327 3HG2 THR 46 3HG2 THR 46 24.355 21.970 -23.121 328 H TYR 47 H TYR 47 23.843 25.353 -23.105 329 HA TYR 47 HA TYR 47 23.204 26.968 -20.785 330 1HB TYR 47 1HB TYR 47 23.311 29.100 -21.973 331 2HB TYR 47 2HB TYR 47 24.894 28.330 -21.950 332 HD1 TYR 47 HD1 TYR 47 21.913 28.922 -24.079 333 HD2 TYR 47 HD2 TYR 47 26.032 27.865 -23.959 334 HE1 TYR 47 HE1 TYR 47 22.025 29.102 -26.530 335 HE2 TYR 47 HE2 TYR 47 26.155 28.044 -26.408 336 HH TYR 47 HH TYR 47 23.980 27.827 -28.381 337 H GLY 48 H GLY 48 21.080 27.570 -20.701 338 1HA GLY 48 1HA GLY 48 18.837 27.185 -21.137 339 2HA GLY 48 2HA GLY 48 19.244 28.079 -22.593 340 H GLY 49 H GLY 49 18.833 27.111 -24.467 341 1HA GLY 49 1HA GLY 49 18.550 25.440 -26.031 342 2HA GLY 49 2HA GLY 49 19.261 24.313 -24.886 343 H ASN 50 H ASN 50 17.964 22.787 -24.124 344 HA ASN 50 HA ASN 50 15.063 23.297 -24.144 345 1HB ASN 50 1HB ASN 50 15.603 21.704 -25.886 346 2HB ASN 50 2HB ASN 50 16.528 20.722 -24.753 347 2HD2 ASN 50 1HD2 ASN 50 15.270 19.915 -22.853 348 1HD2 ASN 50 2HD2 ASN 50 13.656 19.374 -23.149 349 H SER 51 H SER 51 17.807 22.193 -22.372 350 HA SER 51 HA SER 51 16.058 21.668 -20.065 351 1HB SER 51 1HB SER 51 18.647 20.186 -20.425 352 2HB SER 51 2HB SER 51 17.257 19.765 -19.424 353 HG SER 51 HG SER 51 16.184 19.063 -21.181 354 H ASN 52 H ASN 52 17.448 24.106 -20.836 355 HA ASN 52 HA ASN 52 18.801 25.723 -19.971 356 1HB ASN 52 1HB ASN 52 17.235 25.550 -18.123 357 2HB ASN 52 2HB ASN 52 18.144 24.207 -17.438 358 2HD2 ASN 52 1HD2 ASN 52 18.738 25.080 -15.540 359 1HD2 ASN 52 2HD2 ASN 52 19.735 26.481 -15.378 360 H GLY 53 H GLY 53 20.118 23.318 -20.951 361 1HA GLY 53 1HA GLY 53 22.313 22.634 -21.132 362 2HA GLY 53 2HA GLY 53 22.737 23.855 -19.943 363 H GLU 54 H GLU 54 20.534 21.089 -19.669 364 HA GLU 54 HA GLU 54 21.593 20.360 -17.126 365 1HB GLU 54 1HB GLU 54 19.470 19.380 -18.941 366 2HB GLU 54 2HB GLU 54 20.145 18.191 -17.837 367 1HG GLU 54 1HG GLU 54 19.538 20.694 -16.511 368 2HG GLU 54 2HG GLU 54 18.127 19.988 -17.293 369 HA PRO 55 HA PRO 55 24.746 17.417 -17.962 370 1HB PRO 55 1HB PRO 55 23.824 15.097 -16.767 371 2HB PRO 55 2HB PRO 55 24.626 16.419 -15.914 372 1HG PRO 55 2HG PRO 55 22.621 16.406 -14.759 373 2HG PRO 55 1HG PRO 55 21.713 15.810 -16.161 374 1HD PRO 55 1HD PRO 55 21.099 18.037 -16.252 375 2HD PRO 55 2HD PRO 55 22.623 18.591 -15.534 376 H CYS 56 H CYS 56 24.910 16.902 -20.063 377 HA CYS 56 HA CYS 56 22.950 15.784 -21.668 378 1HB CYS 56 1HB CYS 56 25.889 15.321 -22.130 379 2HB CYS 56 2HB CYS 56 24.611 15.507 -23.326 380 H VAL 57 H VAL 57 23.685 13.626 -22.977 381 HA VAL 57 HA VAL 57 24.267 11.475 -21.082 382 HB VAL 57 HB VAL 57 21.776 11.793 -21.157 383 1HG1 VAL 57 1HG1 VAL 57 22.110 12.200 -23.811 384 2HG1 VAL 57 2HG1 VAL 57 21.598 10.513 -23.798 385 3HG1 VAL 57 3HG1 VAL 57 20.579 11.749 -23.062 386 1HG2 VAL 57 1HG2 VAL 57 23.016 9.594 -20.737 387 2HG2 VAL 57 2HG2 VAL 57 21.309 9.495 -21.166 388 3HG2 VAL 57 3HG2 VAL 57 22.544 9.159 -22.381 389 H LEU 58 H LEU 58 26.118 12.141 -22.824 390 HA LEU 58 HA LEU 58 25.734 10.561 -25.248 391 1HB LEU 58 1HB LEU 58 28.284 11.647 -25.350 392 2HB LEU 58 2HB LEU 58 26.856 12.241 -26.171 393 HG LEU 58 HG LEU 58 27.587 13.126 -23.393 394 1HD1 LEU 58 1HD1 LEU 58 29.388 13.576 -25.105 395 2HD1 LEU 58 2HD1 LEU 58 28.222 14.635 -25.898 396 3HD1 LEU 58 3HD1 LEU 58 28.743 14.976 -24.248 397 1HD2 LEU 58 1HD2 LEU 58 25.695 14.094 -25.507 398 2HD2 LEU 58 2HD2 LEU 58 25.345 13.644 -23.840 399 3HD2 LEU 58 3HD2 LEU 58 26.232 15.128 -24.187 400 HA PRO 59 HA PRO 59 27.888 10.268 -26.770 401 1HB PRO 59 1HB PRO 59 27.939 7.461 -27.596 402 2HB PRO 59 2HB PRO 59 29.052 8.763 -28.007 403 1HG PRO 59 1HG PRO 59 29.765 6.750 -26.362 404 2HG PRO 59 2HG PRO 59 30.376 8.402 -26.150 405 1HD PRO 59 2HD PRO 59 29.466 8.067 -24.046 406 2HD PRO 59 1HD PRO 59 28.205 6.976 -24.662 407 H PHE 60 H PHE 60 26.142 10.648 -27.967 408 HA PHE 60 HA PHE 60 23.792 8.912 -27.567 409 1HB PHE 60 1HB PHE 60 22.482 10.948 -28.313 410 2HB PHE 60 2HB PHE 60 23.290 11.096 -26.756 411 HD1 PHE 60 HD1 PHE 60 23.326 12.147 -30.272 412 HD2 PHE 60 HD2 PHE 60 25.069 12.633 -26.426 413 HE1 PHE 60 HE1 PHE 60 24.451 14.193 -31.047 414 HE2 PHE 60 HE2 PHE 60 26.203 14.682 -27.192 415 HZ PHE 60 HZ PHE 60 25.893 15.459 -29.503 416 H THR 61 H THR 61 22.200 9.310 -29.561 417 HA THR 61 HA THR 61 23.796 9.046 -32.022 418 HB THR 61 HB THR 61 21.268 7.527 -31.953 419 HG1 THR 61 HG1 THR 61 22.801 5.810 -30.865 420 1HG2 THR 61 1HG2 THR 61 24.087 6.863 -32.816 421 2HG2 THR 61 2HG2 THR 61 22.665 5.858 -33.100 422 3HG2 THR 61 3HG2 THR 61 22.788 7.445 -33.859 423 H TYR 62 H TYR 62 23.225 10.409 -33.566 424 HA TYR 62 HA TYR 62 20.443 11.257 -33.801 425 1HB TYR 62 1HB TYR 62 21.466 12.979 -32.409 426 2HB TYR 62 2HB TYR 62 22.763 13.186 -33.584 427 HD1 TYR 62 HD1 TYR 62 19.079 13.489 -33.180 428 HD2 TYR 62 HD2 TYR 62 22.537 14.713 -35.334 429 HE1 TYR 62 HE1 TYR 62 17.739 15.186 -34.350 430 HE2 TYR 62 HE2 TYR 62 21.206 16.418 -36.510 431 HH TYR 62 HH TYR 62 18.141 17.365 -35.516 432 H ASN 63 H ASN 63 19.792 11.313 -35.851 433 HA ASN 63 HA ASN 63 19.816 11.377 -38.128 434 1HB ASN 63 1HB ASN 63 21.797 13.158 -37.440 435 2HB ASN 63 2HB ASN 63 22.649 12.034 -38.494 436 2HD2 ASN 63 1HD2 ASN 63 21.669 14.881 -38.759 437 1HD2 ASN 63 2HD2 ASN 63 20.823 14.894 -40.266 438 H GLY 64 H GLY 64 21.427 9.293 -36.244 439 1HA GLY 64 1HA GLY 64 21.562 6.995 -37.027 440 2HA GLY 64 2HA GLY 64 22.173 7.615 -38.553 441 H ARG 65 H ARG 65 23.784 9.549 -36.664 442 HA ARG 65 HA ARG 65 26.033 7.684 -36.388 443 1HB ARG 65 2HB ARG 65 26.337 9.699 -37.823 444 2HB ARG 65 1HB ARG 65 27.491 9.591 -36.502 445 1HG ARG 65 1HG ARG 65 25.048 11.124 -35.927 446 2HG ARG 65 2HG ARG 65 26.726 11.455 -35.507 447 1HD ARG 65 1HD ARG 65 26.018 13.140 -37.037 448 2HD ARG 65 2HD ARG 65 27.124 12.067 -37.894 449 HE ARG 65 HE ARG 65 24.597 11.081 -38.355 450 1HH1 ARG 65 1HH1 ARG 65 26.303 14.058 -38.943 451 2HH1 ARG 65 2HH1 ARG 65 25.402 14.446 -40.370 452 1HH2 ARG 65 1HH2 ARG 65 23.403 11.579 -40.236 453 2HH2 ARG 65 2HH2 ARG 65 23.754 13.036 -41.106 454 H THR 66 H THR 66 27.619 9.134 -34.647 455 HA THR 66 HA THR 66 26.063 9.433 -32.185 456 HB THR 66 HB THR 66 28.510 7.660 -32.326 457 HG1 THR 66 HG1 THR 66 26.945 5.973 -31.946 458 1HG2 THR 66 1HG2 THR 66 27.557 9.020 -30.177 459 2HG2 THR 66 2HG2 THR 66 26.653 7.511 -30.047 460 3HG2 THR 66 3HG2 THR 66 28.416 7.484 -30.078 461 H PHE 67 H PHE 67 27.043 10.746 -30.613 462 HA PHE 67 HA PHE 67 29.608 11.975 -31.344 463 1HB PHE 67 1HB PHE 67 27.431 13.721 -30.274 464 2HB PHE 67 2HB PHE 67 28.812 14.144 -31.280 465 HD1 PHE 67 HD1 PHE 67 25.784 11.949 -31.513 466 HD2 PHE 67 HD2 PHE 67 28.337 14.777 -33.418 467 HE1 PHE 67 HE1 PHE 67 24.349 11.899 -33.510 468 HE2 PHE 67 HE2 PHE 67 26.904 14.726 -35.418 469 HZ PHE 67 HZ PHE 67 24.910 13.283 -35.464 470 H TYR 68 H TYR 68 30.831 12.796 -29.633 471 HA TYR 68 HA TYR 68 29.982 11.879 -26.967 472 1HB TYR 68 1HB TYR 68 32.793 12.622 -27.727 473 2HB TYR 68 2HB TYR 68 32.256 11.642 -26.374 474 HD1 TYR 68 HD1 TYR 68 30.591 9.622 -27.540 475 HD2 TYR 68 HD2 TYR 68 34.141 11.362 -29.088 476 HE1 TYR 68 HE1 TYR 68 31.025 7.571 -28.825 477 HE2 TYR 68 HE2 TYR 68 34.607 9.326 -30.363 478 HH TYR 68 HH TYR 68 32.392 7.042 -31.045 479 H SER 69 H SER 69 29.089 14.398 -28.081 480 HA SER 69 HA SER 69 29.366 16.108 -25.955 481 1HB SER 69 1HB SER 69 30.987 17.720 -27.557 482 2HB SER 69 2HB SER 69 31.454 16.912 -26.062 483 HG SER 69 HG SER 69 32.246 16.413 -28.590 484 H CYS 70 H CYS 70 29.425 18.613 -27.035 485 HA CYS 70 HA CYS 70 26.874 18.769 -28.280 486 1HB CYS 70 2HB CYS 70 27.089 21.101 -28.052 487 2HB CYS 70 1HB CYS 70 28.846 21.034 -28.105 488 H THR 71 H THR 71 26.388 19.729 -30.332 489 HA THR 71 HA THR 71 28.439 20.160 -32.282 490 HB THR 71 HB THR 71 28.345 17.655 -32.193 491 HG1 THR 71 HG1 THR 71 28.633 17.588 -34.338 492 1HG2 THR 71 1HG2 THR 71 25.498 18.234 -32.602 493 2HG2 THR 71 2HG2 THR 71 26.146 17.002 -33.686 494 3HG2 THR 71 3HG2 THR 71 26.278 16.798 -31.939 495 H THR 72 H THR 72 27.272 20.125 -34.589 496 HA THR 72 HA THR 72 24.603 21.321 -34.309 497 HB THR 72 HB THR 72 25.298 22.987 -36.106 498 HG1 THR 72 HG1 THR 72 27.642 21.649 -35.756 499 1HG2 THR 72 1HG2 THR 72 26.003 23.000 -33.243 500 2HG2 THR 72 2HG2 THR 72 26.787 24.237 -34.226 501 3HG2 THR 72 3HG2 THR 72 25.028 24.134 -34.176 502 H GLU 73 H GLU 73 23.987 19.168 -35.090 503 HA GLU 73 HA GLU 73 24.330 18.929 -38.008 504 1HB GLU 73 1HB GLU 73 24.188 16.754 -35.920 505 2HB GLU 73 2HB GLU 73 24.021 16.448 -37.644 506 1HG GLU 73 1HG GLU 73 26.419 17.757 -36.388 507 2HG GLU 73 2HG GLU 73 26.294 16.032 -36.731 508 H GLY 74 H GLY 74 22.155 19.370 -35.474 509 1HA GLY 74 1HA GLY 74 19.913 18.269 -37.027 510 2HA GLY 74 2HA GLY 74 19.862 18.677 -35.320 511 H ARG 75 H ARG 75 21.454 21.201 -36.433 512 HA ARG 75 HA ARG 75 18.994 22.705 -37.040 513 1HB ARG 75 1HB ARG 75 20.330 24.695 -36.193 514 2HB ARG 75 2HB ARG 75 19.839 23.513 -34.990 515 1HG ARG 75 1HG ARG 75 22.425 22.862 -36.082 516 2HG ARG 75 2HG ARG 75 22.397 24.503 -35.434 517 1HD ARG 75 1HD ARG 75 22.956 22.431 -33.908 518 2HD ARG 75 2HD ARG 75 22.033 23.798 -33.295 519 HE ARG 75 HE ARG 75 20.980 21.154 -33.994 520 1HH1 ARG 75 1HH1 ARG 75 20.423 24.355 -32.699 521 2HH1 ARG 75 2HH1 ARG 75 18.925 23.921 -31.951 522 1HH2 ARG 75 1HH2 ARG 75 19.009 20.595 -33.011 523 2HH2 ARG 75 2HH2 ARG 75 18.121 21.792 -32.127 524 H GLN 76 H GLN 76 19.389 24.728 -38.336 525 HA GLN 76 HA GLN 76 21.265 24.118 -40.520 526 1HB GLN 76 1HB GLN 76 19.037 26.066 -40.875 527 2HB GLN 76 2HB GLN 76 19.763 24.969 -42.041 528 1HG GLN 76 1HG GLN 76 18.610 23.095 -41.064 529 2HG GLN 76 2HG GLN 76 17.968 24.119 -39.781 530 2HE2 GLN 76 1HE2 GLN 76 17.706 23.164 -43.088 531 1HE2 GLN 76 2HE2 GLN 76 16.222 23.980 -43.429 532 H ASP 77 H ASP 77 21.203 25.925 -37.866 533 HA ASP 77 HA ASP 77 22.250 28.365 -39.103 534 1HB ASP 77 1HB ASP 77 20.523 28.066 -37.008 535 2HB ASP 77 2HB ASP 77 22.059 28.254 -36.168 536 H GLY 78 H GLY 78 23.069 26.676 -36.092 537 1HA GLY 78 1HA GLY 78 25.428 25.531 -36.506 538 2HA GLY 78 2HA GLY 78 25.885 27.223 -36.595 539 H HIS 79 H HIS 79 23.438 25.852 -34.458 540 HA HIS 79 HA HIS 79 24.973 26.856 -32.178 541 1HB HIS 79 2HB HIS 79 22.995 27.138 -31.061 542 2HB HIS 79 1HB HIS 79 22.243 25.737 -31.816 543 HD1 HIS 79 HD1 HIS 79 20.464 26.300 -33.424 544 HD2 HIS 79 HD2 HIS 79 23.263 29.352 -33.096 545 HE1 HIS 79 HE1 HIS 79 19.621 28.145 -34.909 546 HE2 HIS 79 HE2 HIS 79 21.287 30.015 -34.628 547 H LEU 80 H LEU 80 26.117 25.508 -30.970 548 HA LEU 80 HA LEU 80 26.083 22.698 -31.393 549 1HB LEU 80 1HB LEU 80 27.511 24.579 -29.591 550 2HB LEU 80 2HB LEU 80 27.443 22.901 -29.092 551 HG LEU 80 HG LEU 80 28.597 22.181 -31.063 552 1HD1 LEU 80 1HD1 LEU 80 27.585 24.615 -32.151 553 2HD1 LEU 80 2HD1 LEU 80 29.338 24.583 -32.343 554 3HD1 LEU 80 3HD1 LEU 80 28.356 23.263 -32.981 555 1HD2 LEU 80 1HD2 LEU 80 29.930 23.138 -29.193 556 2HD2 LEU 80 2HD2 LEU 80 30.725 23.245 -30.764 557 3HD2 LEU 80 3HD2 LEU 80 29.966 24.673 -30.061 558 H TRP 81 H TRP 81 25.110 21.089 -30.279 559 HA TRP 81 HA TRP 81 23.707 21.700 -27.792 560 1HB TRP 81 1HB TRP 81 21.641 20.597 -28.643 561 2HB TRP 81 2HB TRP 81 22.017 22.103 -29.478 562 HD1 TRP 81 HD1 TRP 81 22.762 21.940 -32.035 563 HE1 TRP 81 HE1 TRP 81 22.520 20.070 -33.787 564 HE3 TRP 81 HE3 TRP 81 21.645 18.047 -28.917 565 HZ2 TRP 81 HZ2 TRP 81 21.929 17.310 -33.839 566 HZ3 TRP 81 HZ3 TRP 81 21.255 15.824 -29.898 567 HH2 TRP 81 HH2 TRP 81 21.395 15.465 -32.308 568 H CYS 82 H CYS 82 23.035 19.795 -26.622 569 HA CYS 82 HA CYS 82 24.372 17.319 -27.481 570 1HB CYS 82 1HB CYS 82 25.342 16.952 -25.379 571 2HB CYS 82 2HB CYS 82 25.608 18.669 -25.660 572 H SER 83 H SER 83 23.600 15.431 -26.027 573 HA SER 83 HA SER 83 20.675 15.600 -25.925 574 1HB SER 83 1HB SER 83 20.679 13.177 -26.039 575 2HB SER 83 2HB SER 83 21.734 13.807 -27.305 576 HG SER 83 HG SER 83 23.393 13.509 -25.463 577 H THR 84 H THR 84 19.522 15.195 -24.074 578 HA THR 84 HA THR 84 21.113 14.890 -21.614 579 HB THR 84 HB THR 84 19.451 16.124 -20.412 580 HG1 THR 84 HG1 THR 84 17.608 16.976 -21.670 581 1HG2 THR 84 1HG2 THR 84 21.085 17.283 -22.178 582 2HG2 THR 84 2HG2 THR 84 19.542 17.797 -22.861 583 3HG2 THR 84 3HG2 THR 84 19.949 18.208 -21.196 584 H THR 85 H THR 85 18.934 13.338 -23.621 585 HA THR 85 HA THR 85 18.211 11.458 -21.474 586 HB THR 85 HB THR 85 16.401 12.379 -23.716 587 HG1 THR 85 HG1 THR 85 16.331 12.724 -20.890 588 1HG2 THR 85 1HG2 THR 85 16.392 9.977 -22.055 589 2HG2 THR 85 2HG2 THR 85 14.885 10.887 -21.978 590 3HG2 THR 85 3HG2 THR 85 15.500 10.334 -23.535 591 H SER 86 H SER 86 18.812 9.427 -21.894 592 HA SER 86 HA SER 86 20.385 8.575 -23.915 593 1HB SER 86 1HB SER 86 20.209 6.925 -22.346 594 2HB SER 86 2HB SER 86 18.482 7.192 -22.106 595 HG SER 86 HG SER 86 19.459 5.218 -23.357 596 H ASN 87 H ASN 87 16.947 9.066 -24.052 597 HA ASN 87 HA ASN 87 16.962 8.194 -26.868 598 1HB ASN 87 1HB ASN 87 15.366 7.226 -24.807 599 2HB ASN 87 2HB ASN 87 14.318 8.348 -25.665 600 2HD2 ASN 87 1HD2 ASN 87 14.172 8.066 -28.014 601 1HD2 ASN 87 2HD2 ASN 87 14.239 6.464 -28.655 602 H TYR 88 H TYR 88 17.717 10.431 -27.241 603 HA TYR 88 HA TYR 88 15.942 12.615 -26.711 604 1HB TYR 88 1HB TYR 88 18.141 13.334 -26.872 605 2HB TYR 88 2HB TYR 88 18.503 12.262 -28.221 606 HD1 TYR 88 HD1 TYR 88 17.549 12.836 -30.499 607 HD2 TYR 88 HD2 TYR 88 17.522 15.572 -27.243 608 HE1 TYR 88 HE1 TYR 88 17.213 14.694 -32.073 609 HE2 TYR 88 HE2 TYR 88 17.183 17.439 -28.808 610 HH TYR 88 HH TYR 88 17.831 17.475 -31.796 611 H GLU 89 H GLU 89 16.264 10.247 -29.179 612 HA GLU 89 HA GLU 89 15.024 11.666 -31.298 613 1HB GLU 89 1HB GLU 89 14.965 8.675 -30.945 614 2HB GLU 89 2HB GLU 89 14.931 9.590 -32.445 615 1HG GLU 89 2HG GLU 89 17.282 10.424 -31.484 616 2HG GLU 89 1HG GLU 89 17.098 9.002 -32.510 617 H GLN 90 H GLN 90 13.818 10.358 -28.413 618 HA GLN 90 HA GLN 90 11.077 10.404 -29.486 619 1HB GLN 90 2HB GLN 90 12.162 8.226 -28.451 620 2HB GLN 90 1HB GLN 90 10.471 8.622 -28.186 621 1HG GLN 90 1HG GLN 90 12.746 9.142 -26.288 622 2HG GLN 90 2HG GLN 90 11.073 9.633 -26.028 623 2HE2 GLN 90 1HE2 GLN 90 10.961 8.386 -24.143 624 1HE2 GLN 90 2HE2 GLN 90 10.824 6.664 -24.200 625 H ASP 91 H ASP 91 13.136 11.262 -26.755 626 HA ASP 91 HA ASP 91 11.015 12.742 -25.455 627 1HB ASP 91 1HB ASP 91 13.881 12.138 -24.817 628 2HB ASP 91 2HB ASP 91 13.063 13.451 -23.976 629 H GLN 92 H GLN 92 13.896 13.404 -27.355 630 HA GLN 92 HA GLN 92 14.549 15.242 -28.521 631 1HB GLN 92 1HB GLN 92 11.829 16.299 -27.735 632 2HB GLN 92 2HB GLN 92 12.926 17.105 -28.846 633 1HG GLN 92 1HG GLN 92 12.000 14.298 -29.327 634 2HG GLN 92 2HG GLN 92 11.038 15.689 -29.822 635 2HE2 GLN 92 1HE2 GLN 92 11.540 14.365 -31.882 636 1HE2 GLN 92 2HE2 GLN 92 12.903 14.912 -32.792 637 H LYS 93 H LYS 93 14.809 14.898 -25.520 638 HA LYS 93 HA LYS 93 15.005 17.630 -24.571 639 1HB LYS 93 1HB LYS 93 15.472 14.932 -23.336 640 2HB LYS 93 2HB LYS 93 16.040 16.392 -22.535 641 1HG LYS 93 1HG LYS 93 13.691 15.369 -21.987 642 2HG LYS 93 2HG LYS 93 13.933 17.117 -22.046 643 1HD LYS 93 1HD LYS 93 13.001 17.244 -24.241 644 2HD LYS 93 2HD LYS 93 12.977 15.489 -24.394 645 1HE LYS 93 1HE LYS 93 11.535 16.062 -22.066 646 2HE LYS 93 2HE LYS 93 11.011 17.258 -23.251 647 1HZ LYS 93 1HZ LYS 93 11.136 14.374 -23.896 648 2HZ LYS 93 2HZ LYS 93 9.766 15.070 -23.190 649 3HZ LYS 93 3HZ LYS 93 10.296 15.595 -24.709 650 H TYR 94 H TYR 94 16.669 18.828 -25.170 651 HA TYR 94 HA TYR 94 19.346 17.611 -25.172 652 1HB TYR 94 1HB TYR 94 19.947 18.730 -27.204 653 2HB TYR 94 2HB TYR 94 18.447 17.858 -27.501 654 HD1 TYR 94 HD1 TYR 94 19.943 21.190 -27.021 655 HD2 TYR 94 HD2 TYR 94 16.408 19.030 -27.994 656 HE1 TYR 94 HE1 TYR 94 18.898 23.270 -27.818 657 HE2 TYR 94 HE2 TYR 94 15.353 21.105 -28.790 658 HH TYR 94 HH TYR 94 15.644 23.269 -29.229 659 H SER 95 H SER 95 20.900 19.688 -25.743 660 HA SER 95 HA SER 95 20.184 22.043 -24.246 661 1HB SER 95 1HB SER 95 22.678 21.142 -23.125 662 2HB SER 95 2HB SER 95 21.181 21.567 -22.293 663 HG SER 95 HG SER 95 21.603 19.056 -23.535 664 H PHE 96 H PHE 96 21.301 23.786 -24.968 665 HA PHE 96 HA PHE 96 22.907 23.498 -27.288 666 1HB PHE 96 1HB PHE 96 22.113 25.823 -25.567 667 2HB PHE 96 2HB PHE 96 23.310 26.027 -26.844 668 HD1 PHE 96 HD1 PHE 96 22.255 24.261 -28.933 669 HD2 PHE 96 HD2 PHE 96 20.238 26.951 -26.324 670 HE1 PHE 96 HE1 PHE 96 20.449 24.503 -30.587 671 HE2 PHE 96 HE2 PHE 96 18.426 27.196 -27.969 672 HZ PHE 96 HZ PHE 96 18.529 25.968 -30.103 673 H CYS 97 H CYS 97 24.996 25.025 -27.312 674 HA CYS 97 HA CYS 97 26.684 24.539 -24.991 675 1HB CYS 97 1HB CYS 97 26.693 22.730 -27.102 676 2HB CYS 97 2HB CYS 97 28.081 23.762 -27.425 677 H THR 98 H THR 98 28.503 25.872 -24.888 678 HA THR 98 HA THR 98 28.276 28.386 -26.136 679 HB THR 98 HB THR 98 30.779 28.530 -25.260 680 HG1 THR 98 HG1 THR 98 30.724 27.039 -23.310 681 1HG2 THR 98 1HG2 THR 98 28.165 28.661 -23.869 682 2HG2 THR 98 2HG2 THR 98 29.610 28.687 -22.860 683 3HG2 THR 98 3HG2 THR 98 29.385 29.914 -24.108 684 H ASP 99 H ASP 99 29.429 29.352 -27.777 685 HA ASP 99 HA ASP 99 30.009 28.102 -30.072 686 1HB ASP 99 1HB ASP 99 31.819 30.307 -29.097 687 2HB ASP 99 2HB ASP 99 31.303 29.974 -30.748 688 H HIS 100 H HIS 100 32.444 28.701 -27.542 689 HA HIS 100 HA HIS 100 34.461 27.740 -27.112 690 1HB HIS 100 1HB HIS 100 32.582 25.649 -27.551 691 2HB HIS 100 2HB HIS 100 34.114 25.149 -28.260 692 HD1 HIS 100 HD1 HIS 100 33.967 27.272 -25.166 693 HD2 HIS 100 HD2 HIS 100 34.704 23.328 -26.248 694 HE1 HIS 100 HE1 HIS 100 34.883 26.168 -23.101 695 HE2 HIS 100 HE2 HIS 100 35.426 23.813 -23.813 696 H THR 101 H THR 101 33.812 25.792 -29.983 697 HA THR 101 HA THR 101 36.040 27.164 -31.341 698 HB THR 101 HB THR 101 37.039 25.133 -30.893 699 HG1 THR 101 HG1 THR 101 37.362 24.582 -32.908 700 1HG2 THR 101 1HG2 THR 101 34.272 24.006 -31.080 701 2HG2 THR 101 2HG2 THR 101 35.671 22.945 -31.244 702 3HG2 THR 101 3HG2 THR 101 35.443 23.883 -29.768 No H/Q in entry = 702 Start of MODEL 54 1 H1 TYR 1 H1 TYR 1 54.349 18.615 -35.918 2 H2 TYR 1 H2 TYR 1 55.177 17.329 -35.197 3 H3 TYR 1 H3 TYR 1 55.986 18.365 -36.262 4 HA TYR 1 HA TYR 1 55.050 17.475 -38.121 5 1HB TYR 1 1HB TYR 1 56.204 15.773 -36.310 6 2HB TYR 1 2HB TYR 1 54.693 14.943 -36.666 7 HD1 TYR 1 HD1 TYR 1 54.398 15.778 -39.546 8 HD2 TYR 1 HD2 TYR 1 57.755 14.345 -37.362 9 HE1 TYR 1 HE1 TYR 1 55.369 14.902 -41.627 10 HE2 TYR 1 HE2 TYR 1 58.738 13.465 -39.438 11 HH TYR 1 HH TYR 1 57.654 14.323 -42.493 12 H GLY 2 H GLY 2 53.437 15.019 -38.123 13 1HA GLY 2 1HA GLY 2 50.813 16.071 -37.296 14 2HA GLY 2 2HA GLY 2 51.059 15.549 -38.956 15 H HIS 3 H HIS 3 51.783 14.251 -35.710 16 HA HIS 3 HA HIS 3 50.255 11.852 -36.384 17 1HB HIS 3 1HB HIS 3 52.359 11.032 -36.979 18 2HB HIS 3 2HB HIS 3 53.180 11.939 -35.715 19 HD1 HIS 3 HD1 HIS 3 53.804 10.635 -33.707 20 HD2 HIS 3 HD2 HIS 3 50.725 8.834 -35.838 21 HE1 HIS 3 HE1 HIS 3 53.369 8.453 -32.539 22 HE2 HIS 3 HE2 HIS 3 51.382 7.474 -33.733 23 H CYS 4 H CYS 4 49.422 10.742 -34.609 24 HA CYS 4 HA CYS 4 49.922 11.904 -31.958 25 1HB CYS 4 1HB CYS 4 47.324 11.476 -31.670 26 2HB CYS 4 2HB CYS 4 47.929 12.984 -32.340 27 H VAL 5 H VAL 5 50.470 10.351 -30.580 28 HA VAL 5 HA VAL 5 49.305 7.669 -30.941 29 HB VAL 5 HB VAL 5 51.680 7.736 -31.686 30 1HG1 VAL 5 1HG1 VAL 5 52.001 9.193 -29.268 31 2HG1 VAL 5 2HG1 VAL 5 52.970 7.724 -29.163 32 3HG1 VAL 5 3HG1 VAL 5 53.201 8.839 -30.509 33 1HG2 VAL 5 1HG2 VAL 5 50.440 5.927 -29.855 34 2HG2 VAL 5 2HG2 VAL 5 51.593 5.586 -31.145 35 3HG2 VAL 5 3HG2 VAL 5 52.172 5.989 -29.528 36 H THR 6 H THR 6 48.706 6.582 -29.110 37 HA THR 6 HA THR 6 48.173 8.120 -26.785 38 HB THR 6 HB THR 6 47.464 5.908 -25.794 39 HG1 THR 6 HG1 THR 6 47.683 4.097 -26.973 40 1HG2 THR 6 1HG2 THR 6 46.365 7.239 -28.172 41 2HG2 THR 6 2HG2 THR 6 45.772 5.599 -27.908 42 3HG2 THR 6 3HG2 THR 6 45.584 6.819 -26.647 43 H ASP 7 H ASP 7 50.278 5.275 -27.268 44 HA ASP 7 HA ASP 7 52.437 6.286 -25.807 45 1HB ASP 7 1HB ASP 7 51.079 6.159 -23.834 46 2HB ASP 7 2HB ASP 7 50.553 4.526 -24.232 47 H SER 8 H SER 8 50.610 3.378 -26.619 48 HA SER 8 HA SER 8 52.619 2.257 -28.199 49 1HB SER 8 1HB SER 8 53.628 2.060 -25.819 50 2HB SER 8 2HB SER 8 52.447 0.772 -25.587 51 HG SER 8 HG SER 8 54.442 0.895 -27.604 52 H GLY 9 H GLY 9 49.761 2.633 -28.127 53 1HA GLY 9 1HA GLY 9 48.944 -0.177 -28.505 54 2HA GLY 9 2HA GLY 9 47.897 0.958 -27.669 55 H VAL 10 H VAL 10 48.530 3.189 -29.420 56 HA VAL 10 HA VAL 10 47.580 2.311 -32.036 57 HB VAL 10 HB VAL 10 46.119 4.579 -30.737 58 1HG1 VAL 10 1HG1 VAL 10 46.059 3.264 -33.241 59 2HG1 VAL 10 2HG1 VAL 10 44.539 2.910 -32.419 60 3HG1 VAL 10 3HG1 VAL 10 45.035 4.583 -32.673 61 1HG2 VAL 10 1HG2 VAL 10 45.474 1.650 -30.429 62 2HG2 VAL 10 2HG2 VAL 10 45.821 2.811 -29.146 63 3HG2 VAL 10 3HG2 VAL 10 44.340 2.958 -30.091 64 H VAL 11 H VAL 11 48.139 3.656 -33.704 65 HA VAL 11 HA VAL 11 49.783 5.995 -32.980 66 HB VAL 11 HB VAL 11 50.020 4.120 -35.334 67 1HG1 VAL 11 1HG1 VAL 11 50.581 6.875 -35.299 68 2HG1 VAL 11 2HG1 VAL 11 52.136 6.050 -35.184 69 3HG1 VAL 11 3HG1 VAL 11 51.045 5.692 -36.523 70 1HG2 VAL 11 1HG2 VAL 11 51.857 4.786 -33.037 71 2HG2 VAL 11 2HG2 VAL 11 51.043 3.252 -33.342 72 3HG2 VAL 11 3HG2 VAL 11 52.316 3.805 -34.429 73 H TYR 12 H TYR 12 47.752 7.202 -32.961 74 HA TYR 12 HA TYR 12 46.202 7.540 -35.317 75 1HB TYR 12 1HB TYR 12 46.494 9.421 -32.965 76 2HB TYR 12 2HB TYR 12 45.201 9.445 -34.159 77 HD1 TYR 12 HD1 TYR 12 43.836 7.204 -34.351 78 HD2 TYR 12 HD2 TYR 12 46.154 8.340 -30.972 79 HE1 TYR 12 HE1 TYR 12 42.521 5.670 -32.945 80 HE2 TYR 12 HE2 TYR 12 44.847 6.809 -29.553 81 HH TYR 12 HH TYR 12 43.201 5.325 -29.471 82 H SER 13 H SER 13 45.971 9.700 -36.388 83 HA SER 13 HA SER 13 48.550 11.082 -36.642 84 1HB SER 13 1HB SER 13 46.833 9.931 -38.822 85 2HB SER 13 2HB SER 13 47.870 11.321 -39.143 86 HG SER 13 HG SER 13 49.473 9.988 -39.264 87 H VAL 14 H VAL 14 48.442 13.248 -36.737 88 HA VAL 14 HA VAL 14 46.755 14.867 -35.647 89 HB VAL 14 HB VAL 14 48.609 15.837 -36.765 90 1HG1 VAL 14 1HG1 VAL 14 47.474 14.502 -39.103 91 2HG1 VAL 14 2HG1 VAL 14 48.055 16.135 -39.427 92 3HG1 VAL 14 3HG1 VAL 14 49.145 14.932 -38.740 93 1HG2 VAL 14 1HG2 VAL 14 45.996 16.926 -36.960 94 2HG2 VAL 14 2HG2 VAL 14 47.534 17.778 -36.821 95 3HG2 VAL 14 3HG2 VAL 14 46.885 17.381 -38.412 96 H GLY 15 H GLY 15 44.629 13.998 -35.622 97 1HA GLY 15 1HA GLY 15 42.506 15.007 -36.448 98 2HA GLY 15 2HA GLY 15 43.075 14.614 -38.059 99 H MET 16 H MET 16 44.014 12.109 -36.108 100 HA MET 16 HA MET 16 41.679 10.542 -36.937 101 1HB MET 16 1HB MET 16 44.348 10.025 -37.236 102 2HB MET 16 2HB MET 16 43.969 9.103 -35.787 103 1HG MET 16 1HG MET 16 41.933 8.659 -37.732 104 2HG MET 16 2HG MET 16 43.510 8.406 -38.476 105 1HE MET 16 1HE MET 16 45.366 7.421 -37.032 106 2HE MET 16 2HE MET 16 45.186 5.997 -36.009 107 3HE MET 16 3HE MET 16 45.011 5.853 -37.758 108 H GLN 17 H GLN 17 40.849 11.951 -34.956 109 HA GLN 17 HA GLN 17 41.386 11.444 -32.339 110 1HB GLN 17 1HB GLN 17 38.742 11.591 -32.123 111 2HB GLN 17 2HB GLN 17 39.720 12.993 -32.535 112 1HG GLN 17 1HG GLN 17 38.666 13.228 -34.462 113 2HG GLN 17 2HG GLN 17 39.032 11.564 -34.917 114 2HE2 GLN 17 1HE2 GLN 17 37.113 12.646 -32.177 115 1HE2 GLN 17 2HE2 GLN 17 35.623 11.954 -32.711 116 H TRP 18 H TRP 18 39.713 10.231 -30.846 117 HA TRP 18 HA TRP 18 38.809 7.682 -31.786 118 1HB TRP 18 1HB TRP 18 40.311 6.329 -30.341 119 2HB TRP 18 2HB TRP 18 41.179 7.164 -31.624 120 HD1 TRP 18 HD1 TRP 18 40.797 7.072 -27.839 121 HE1 TRP 18 HE1 TRP 18 42.650 8.505 -26.787 122 HE3 TRP 18 HE3 TRP 18 42.686 9.195 -32.087 123 HZ2 TRP 18 HZ2 TRP 18 44.651 10.317 -27.644 124 HZ3 TRP 18 HZ3 TRP 18 44.569 10.766 -31.884 125 HH2 TRP 18 HH2 TRP 18 45.528 11.308 -29.709 126 H LEU 19 H LEU 19 38.807 6.336 -29.301 127 HA LEU 19 HA LEU 19 37.282 8.172 -27.585 128 1HB LEU 19 1HB LEU 19 36.432 5.660 -28.867 129 2HB LEU 19 2HB LEU 19 36.030 5.793 -27.166 130 HG LEU 19 HG LEU 19 34.159 6.538 -28.476 131 1HD1 LEU 19 1HD1 LEU 19 35.615 8.843 -27.193 132 2HD1 LEU 19 2HD1 LEU 19 33.912 8.849 -27.645 133 3HD1 LEU 19 3HD1 LEU 19 34.492 7.730 -26.414 134 1HD2 LEU 19 1HD2 LEU 19 36.178 8.307 -29.823 135 2HD2 LEU 19 2HD2 LEU 19 35.091 7.124 -30.552 136 3HD2 LEU 19 3HD2 LEU 19 34.445 8.627 -29.892 137 H LYS 20 H LYS 20 37.816 8.131 -25.504 138 HA LYS 20 HA LYS 20 39.502 5.899 -24.567 139 1HB LYS 20 1HB LYS 20 40.207 8.503 -24.611 140 2HB LYS 20 2HB LYS 20 39.460 8.421 -23.022 141 1HG LYS 20 1HG LYS 20 41.542 7.854 -22.390 142 2HG LYS 20 2HG LYS 20 41.018 6.245 -22.892 143 1HD LYS 20 1HD LYS 20 42.432 8.196 -24.704 144 2HD LYS 20 2HD LYS 20 43.255 6.942 -23.776 145 1HE LYS 20 1HE LYS 20 41.105 6.477 -25.840 146 2HE LYS 20 2HE LYS 20 42.834 6.245 -26.090 147 1HZ LYS 20 1HZ LYS 20 41.876 4.837 -23.796 148 2HZ LYS 20 2HZ LYS 20 41.067 4.365 -25.203 149 3HZ LYS 20 3HZ LYS 20 42.753 4.261 -25.124 150 H THR 21 H THR 21 38.839 4.711 -22.889 151 HA THR 21 HA THR 21 36.499 5.650 -21.362 152 HB THR 21 HB THR 21 37.037 2.895 -22.461 153 HG1 THR 21 HG1 THR 21 34.710 3.347 -23.063 154 1HG2 THR 21 1HG2 THR 21 36.391 2.692 -20.098 155 2HG2 THR 21 2HG2 THR 21 34.963 3.679 -20.409 156 3HG2 THR 21 3HG2 THR 21 35.125 2.098 -21.174 157 H GLN 22 H GLN 22 39.632 4.216 -21.300 158 HA GLN 22 HA GLN 22 39.445 3.194 -18.622 159 1HB GLN 22 2HB GLN 22 41.667 2.500 -18.874 160 2HB GLN 22 1HB GLN 22 42.033 3.771 -20.032 161 1HG GLN 22 1HG GLN 22 40.990 1.091 -20.461 162 2HG GLN 22 2HG GLN 22 40.067 2.336 -21.302 163 2HE2 GLN 22 1HE2 GLN 22 42.361 0.195 -21.812 164 1HE2 GLN 22 2HE2 GLN 22 43.352 1.022 -22.961 165 H GLY 23 H GLY 23 38.728 5.021 -17.457 166 1HA GLY 23 1HA GLY 23 40.834 6.572 -16.329 167 2HA GLY 23 2HA GLY 23 39.837 7.547 -17.397 168 H ASN 24 H ASN 24 37.437 7.367 -16.975 169 HA ASN 24 HA ASN 24 36.866 6.997 -14.117 170 1HB ASN 24 1HB ASN 24 35.520 9.267 -15.480 171 2HB ASN 24 2HB ASN 24 36.039 9.106 -13.804 172 2HD2 ASN 24 1HD2 ASN 24 36.667 10.534 -16.745 173 1HD2 ASN 24 2HD2 ASN 24 38.273 11.091 -16.436 174 H LYS 25 H LYS 25 35.342 7.743 -17.255 175 HA LYS 25 HA LYS 25 33.547 5.505 -16.954 176 1HB LYS 25 1HB LYS 25 31.770 7.588 -17.605 177 2HB LYS 25 2HB LYS 25 31.781 6.606 -16.151 178 1HG LYS 25 1HG LYS 25 32.252 8.391 -14.936 179 2HG LYS 25 2HG LYS 25 33.733 8.662 -15.851 180 1HD LYS 25 1HD LYS 25 32.697 10.613 -16.346 181 2HD LYS 25 2HD LYS 25 31.969 9.622 -17.612 182 1HE LYS 25 1HE LYS 25 30.106 9.138 -15.963 183 2HE LYS 25 2HE LYS 25 30.785 10.423 -14.966 184 1HZ LYS 25 1HZ LYS 25 30.397 11.183 -17.710 185 2HZ LYS 25 2HZ LYS 25 28.957 10.767 -16.927 186 3HZ LYS 25 3HZ LYS 25 29.942 11.985 -16.291 187 H GLN 26 H GLN 26 33.663 8.571 -18.774 188 HA GLN 26 HA GLN 26 34.190 7.101 -21.226 189 1HB GLN 26 1HB GLN 26 31.690 8.712 -20.744 190 2HB GLN 26 2HB GLN 26 32.311 8.422 -22.364 191 1HG GLN 26 1HG GLN 26 31.256 6.485 -22.406 192 2HG GLN 26 2HG GLN 26 32.239 5.929 -21.052 193 2HE2 GLN 26 1HE2 GLN 26 29.647 5.055 -21.459 194 1HE2 GLN 26 2HE2 GLN 26 28.643 5.651 -20.186 195 H MET 27 H MET 27 35.713 8.144 -22.312 196 HA MET 27 HA MET 27 35.798 11.078 -22.207 197 1HB MET 27 1HB MET 27 37.584 9.447 -20.838 198 2HB MET 27 2HB MET 27 38.451 9.880 -22.303 199 1HG MET 27 1HG MET 27 37.466 12.288 -21.572 200 2HG MET 27 2HG MET 27 37.686 11.525 -19.999 201 1HE MET 27 1HE MET 27 39.147 14.154 -20.776 202 2HE MET 27 2HE MET 27 39.515 13.351 -19.249 203 3HE MET 27 3HE MET 27 40.824 13.859 -20.316 204 H LEU 28 H LEU 28 36.054 11.995 -24.156 205 HA LEU 28 HA LEU 28 36.693 10.226 -26.413 206 1HB LEU 28 1HB LEU 28 34.562 11.460 -26.516 207 2HB LEU 28 2HB LEU 28 35.444 12.974 -26.416 208 HG LEU 28 HG LEU 28 36.662 12.017 -28.558 209 1HD1 LEU 28 1HD1 LEU 28 34.060 10.529 -28.451 210 2HD1 LEU 28 2HD1 LEU 28 34.886 10.875 -29.970 211 3HD1 LEU 28 3HD1 LEU 28 35.681 9.897 -28.737 212 1HD2 LEU 28 1HD2 LEU 28 34.490 13.791 -28.059 213 2HD2 LEU 28 2HD2 LEU 28 35.682 13.842 -29.357 214 3HD2 LEU 28 3HD2 LEU 28 34.185 12.936 -29.571 215 H CYS 29 H CYS 29 38.587 10.380 -27.425 216 HA CYS 29 HA CYS 29 40.271 12.725 -26.840 217 1HB CYS 29 1HB CYS 29 40.845 9.838 -27.235 218 2HB CYS 29 2HB CYS 29 42.053 10.992 -27.792 219 H THR 30 H THR 30 41.330 13.811 -28.443 220 HA THR 30 HA THR 30 41.077 12.956 -31.212 221 HB THR 30 HB THR 30 39.915 15.582 -30.262 222 HG1 THR 30 HG1 THR 30 38.584 13.615 -30.182 223 1HG2 THR 30 1HG2 THR 30 40.568 14.574 -33.028 224 2HG2 THR 30 2HG2 THR 30 39.380 15.847 -32.740 225 3HG2 THR 30 3HG2 THR 30 41.064 16.087 -32.271 226 H CYS 31 H CYS 31 42.871 13.459 -32.322 227 HA CYS 31 HA CYS 31 44.756 15.297 -31.041 228 1HB CYS 31 1HB CYS 31 46.461 14.211 -32.512 229 2HB CYS 31 2HB CYS 31 45.697 13.122 -31.360 230 H LEU 32 H LEU 32 44.115 17.260 -31.745 231 HA LEU 32 HA LEU 32 43.571 17.779 -34.522 232 1HB LEU 32 1HB LEU 32 43.463 20.179 -33.644 233 2HB LEU 32 2HB LEU 32 42.293 19.040 -33.018 234 HG LEU 32 HG LEU 32 44.606 19.027 -31.333 235 1HD1 LEU 32 1HD1 LEU 32 44.073 21.572 -32.462 236 2HD1 LEU 32 2HD1 LEU 32 43.577 21.598 -30.770 237 3HD1 LEU 32 3HD1 LEU 32 45.224 21.139 -31.198 238 1HD2 LEU 32 1HD2 LEU 32 41.901 18.704 -31.111 239 2HD2 LEU 32 2HD2 LEU 32 43.024 18.847 -29.759 240 3HD2 LEU 32 3HD2 LEU 32 42.155 20.268 -30.336 241 H GLY 33 H GLY 33 44.880 20.411 -34.588 242 1HA GLY 33 1HA GLY 33 47.406 19.552 -35.621 243 2HA GLY 33 2HA GLY 33 46.799 21.199 -35.589 244 H ASN 34 H ASN 34 46.369 21.152 -32.673 245 HA ASN 34 HA ASN 34 48.938 22.076 -31.908 246 1HB ASN 34 1HB ASN 34 47.889 22.960 -30.106 247 2HB ASN 34 2HB ASN 34 46.429 22.549 -30.996 248 2HD2 ASN 34 1HD2 ASN 34 47.766 22.451 -28.061 249 1HD2 ASN 34 2HD2 ASN 34 46.962 21.078 -27.390 250 H GLY 35 H GLY 35 47.147 19.107 -31.266 251 1HA GLY 35 1HA GLY 35 49.323 17.440 -31.051 252 2HA GLY 35 2HA GLY 35 49.069 18.056 -29.427 253 H VAL 36 H VAL 36 47.482 17.208 -28.186 254 HA VAL 36 HA VAL 36 45.404 15.575 -29.389 255 HB VAL 36 HB VAL 36 47.500 14.438 -27.555 256 1HG1 VAL 36 1HG1 VAL 36 44.682 13.897 -27.512 257 2HG1 VAL 36 2HG1 VAL 36 45.567 12.468 -28.045 258 3HG1 VAL 36 3HG1 VAL 36 45.964 13.227 -26.504 259 1HG2 VAL 36 1HG2 VAL 36 46.829 14.190 -30.347 260 2HG2 VAL 36 2HG2 VAL 36 48.252 13.619 -29.476 261 3HG2 VAL 36 3HG2 VAL 36 46.798 12.624 -29.538 262 H SER 37 H SER 37 43.620 16.356 -28.518 263 HA SER 37 HA SER 37 43.592 16.902 -25.623 264 1HB SER 37 1HB SER 37 43.452 18.901 -27.333 265 2HB SER 37 2HB SER 37 41.772 18.384 -27.483 266 HG SER 37 HG SER 37 41.775 18.503 -25.090 267 H CYS 38 H CYS 38 41.869 16.164 -24.467 268 HA CYS 38 HA CYS 38 39.697 14.838 -25.936 269 1HB CYS 38 1HB CYS 38 40.753 13.620 -23.416 270 2HB CYS 38 2HB CYS 38 39.869 12.859 -24.728 271 H GLN 39 H GLN 39 37.799 14.368 -24.496 272 HA GLN 39 HA GLN 39 37.554 16.413 -22.389 273 1HB GLN 39 1HB GLN 39 35.867 15.899 -24.759 274 2HB GLN 39 2HB GLN 39 34.996 16.167 -23.256 275 1HG GLN 39 1HG GLN 39 36.576 18.234 -23.050 276 2HG GLN 39 2HG GLN 39 36.742 18.025 -24.792 277 2HE2 GLN 39 1HE2 GLN 39 34.209 17.186 -25.455 278 1HE2 GLN 39 2HE2 GLN 39 33.084 18.465 -25.164 279 H GLU 40 H GLU 40 37.080 15.600 -20.469 280 HA GLU 40 HA GLU 40 36.281 12.844 -20.194 281 1HB GLU 40 1HB GLU 40 37.646 13.198 -18.430 282 2HB GLU 40 2HB GLU 40 37.411 14.938 -18.485 283 1HG GLU 40 1HG GLU 40 35.508 14.834 -17.123 284 2HG GLU 40 2HG GLU 40 35.339 13.094 -17.346 285 H THR 41 H THR 41 34.248 12.221 -20.286 286 HA THR 41 HA THR 41 32.026 12.074 -19.688 287 HB THR 41 HB THR 41 32.293 14.880 -18.594 288 HG1 THR 41 HG1 THR 41 33.245 13.800 -17.030 289 1HG2 THR 41 1HG2 THR 41 30.060 12.868 -18.419 290 2HG2 THR 41 2HG2 THR 41 30.148 14.354 -17.475 291 3HG2 THR 41 3HG2 THR 41 30.020 14.431 -19.233 292 H ALA 42 H ALA 42 33.262 14.985 -21.207 293 HA ALA 42 HA ALA 42 32.682 16.011 -23.161 294 1HB ALA 42 1HB ALA 42 31.332 13.437 -23.357 295 2HB ALA 42 3HB ALA 42 32.205 14.357 -24.579 296 3HB ALA 42 2HB ALA 42 30.513 14.723 -24.242 297 H VAL 43 H VAL 43 31.281 16.297 -20.464 298 HA VAL 43 HA VAL 43 28.666 16.926 -20.495 299 HB VAL 43 HB VAL 43 29.365 19.032 -19.095 300 1HG1 VAL 43 1HG1 VAL 43 28.550 16.719 -18.345 301 2HG1 VAL 43 2HG1 VAL 43 30.248 16.376 -18.019 302 3HG1 VAL 43 3HG1 VAL 43 29.439 17.699 -17.179 303 1HG2 VAL 43 1HG2 VAL 43 31.886 18.121 -20.057 304 2HG2 VAL 43 2HG2 VAL 43 31.535 19.491 -19.003 305 3HG2 VAL 43 3HG2 VAL 43 31.837 17.899 -18.308 306 H THR 44 H THR 44 31.086 19.450 -21.225 307 HA THR 44 HA THR 44 31.080 21.160 -22.739 308 HB THR 44 HB THR 44 28.561 20.472 -24.096 309 HG1 THR 44 HG1 THR 44 29.033 18.453 -24.536 310 1HG2 THR 44 1HG2 THR 44 31.238 21.485 -24.704 311 2HG2 THR 44 2HG2 THR 44 30.608 20.369 -25.915 312 3HG2 THR 44 3HG2 THR 44 29.695 21.818 -25.491 313 H GLN 45 H GLN 45 28.938 22.588 -23.852 314 HA GLN 45 HA GLN 45 27.423 23.442 -21.476 315 1HB GLN 45 2HB GLN 45 27.775 25.745 -22.012 316 2HB GLN 45 1HB GLN 45 28.529 25.334 -23.547 317 1HG GLN 45 1HG GLN 45 29.815 24.226 -21.142 318 2HG GLN 45 2HG GLN 45 30.528 24.899 -22.608 319 2HE2 GLN 45 1HE2 GLN 45 30.254 27.298 -22.848 320 1HE2 GLN 45 2HE2 GLN 45 30.462 28.258 -21.426 321 H THR 46 H THR 46 25.489 24.725 -21.989 322 HA THR 46 HA THR 46 24.400 24.481 -24.666 323 HB THR 46 HB THR 46 22.283 23.403 -23.754 324 HG1 THR 46 HG1 THR 46 22.300 22.624 -21.760 325 1HG2 THR 46 1HG2 THR 46 24.874 21.870 -23.914 326 2HG2 THR 46 2HG2 THR 46 23.295 21.090 -23.808 327 3HG2 THR 46 3HG2 THR 46 23.679 22.116 -25.189 328 H TYR 47 H TYR 47 23.335 26.312 -25.096 329 HA TYR 47 HA TYR 47 22.445 27.949 -22.833 330 1HB TYR 47 1HB TYR 47 22.286 29.745 -24.682 331 2HB TYR 47 2HB TYR 47 23.881 29.247 -24.130 332 HD1 TYR 47 HD1 TYR 47 21.371 28.615 -26.806 333 HD2 TYR 47 HD2 TYR 47 25.469 28.504 -25.668 334 HE1 TYR 47 HE1 TYR 47 21.994 28.086 -29.125 335 HE2 TYR 47 HE2 TYR 47 26.104 27.977 -27.985 336 HH TYR 47 HH TYR 47 25.268 27.221 -29.998 337 H GLY 48 H GLY 48 21.296 26.591 -25.889 338 1HA GLY 48 1HA GLY 48 18.583 26.746 -24.885 339 2HA GLY 48 2HA GLY 48 18.903 27.727 -26.305 340 H GLY 49 H GLY 49 18.618 26.810 -28.230 341 1HA GLY 49 1HA GLY 49 18.611 25.137 -29.856 342 2HA GLY 49 2HA GLY 49 19.070 23.972 -28.622 343 H ASN 50 H ASN 50 17.489 22.924 -27.433 344 HA ASN 50 HA ASN 50 14.697 23.500 -28.095 345 1HB ASN 50 1HB ASN 50 16.187 21.200 -29.008 346 2HB ASN 50 2HB ASN 50 14.860 20.696 -27.964 347 2HD2 ASN 50 1HD2 ASN 50 15.328 23.213 -30.429 348 1HD2 ASN 50 2HD2 ASN 50 13.913 22.820 -31.339 349 H SER 51 H SER 51 16.842 23.367 -25.758 350 HA SER 51 HA SER 51 14.904 22.358 -23.799 351 1HB SER 51 1HB SER 51 17.115 20.923 -24.398 352 2HB SER 51 2HB SER 51 17.760 21.964 -23.128 353 HG SER 51 HG SER 51 15.583 21.226 -22.094 354 H ASN 52 H ASN 52 16.615 24.953 -24.864 355 HA ASN 52 HA ASN 52 16.979 27.025 -24.009 356 1HB ASN 52 1HB ASN 52 14.833 26.869 -22.913 357 2HB ASN 52 2HB ASN 52 15.518 25.889 -21.622 358 2HD2 ASN 52 1HD2 ASN 52 15.937 29.037 -23.192 359 1HD2 ASN 52 2HD2 ASN 52 16.291 29.907 -21.743 360 H GLY 53 H GLY 53 18.754 24.611 -23.530 361 1HA GLY 53 1HA GLY 53 21.015 24.740 -22.833 362 2HA GLY 53 2HA GLY 53 20.562 25.985 -21.680 363 H GLU 54 H GLU 54 20.081 22.526 -22.362 364 HA GLU 54 HA GLU 54 20.151 22.065 -19.454 365 1HB GLU 54 1HB GLU 54 18.464 20.708 -21.549 366 2HB GLU 54 2HB GLU 54 18.718 20.031 -19.948 367 1HG GLU 54 1HG GLU 54 17.948 22.704 -19.570 368 2HG GLU 54 2HG GLU 54 16.870 22.032 -20.789 369 HA PRO 55 HA PRO 55 23.333 19.079 -19.943 370 1HB PRO 55 1HB PRO 55 21.813 16.977 -18.571 371 2HB PRO 55 2HB PRO 55 23.271 17.824 -18.051 372 1HG PRO 55 1HG PRO 55 20.883 18.242 -16.880 373 2HG PRO 55 2HG PRO 55 22.088 19.531 -17.057 374 1HD PRO 55 2HD PRO 55 20.284 20.547 -18.106 375 2HD PRO 55 1HD PRO 55 19.624 19.001 -18.681 376 H CYS 56 H CYS 56 23.825 18.115 -21.800 377 HA CYS 56 HA CYS 56 21.964 16.853 -23.501 378 1HB CYS 56 1HB CYS 56 24.921 16.334 -23.576 379 2HB CYS 56 2HB CYS 56 23.789 16.396 -24.922 380 H VAL 57 H VAL 57 23.259 14.504 -24.348 381 HA VAL 57 HA VAL 57 23.394 12.765 -22.019 382 HB VAL 57 HB VAL 57 20.963 12.948 -22.749 383 1HG1 VAL 57 1HG1 VAL 57 22.149 12.202 -25.244 384 2HG1 VAL 57 2HG1 VAL 57 20.998 10.964 -24.744 385 3HG1 VAL 57 3HG1 VAL 57 20.478 12.642 -24.892 386 1HG2 VAL 57 1HG2 VAL 57 22.167 11.039 -21.460 387 2HG2 VAL 57 2HG2 VAL 57 20.537 10.775 -22.082 388 3HG2 VAL 57 3HG2 VAL 57 21.929 10.125 -22.950 389 H LEU 58 H LEU 58 25.407 13.468 -23.884 390 HA LEU 58 HA LEU 58 25.661 11.132 -25.611 391 1HB LEU 58 1HB LEU 58 27.986 12.871 -25.548 392 2HB LEU 58 2HB LEU 58 27.034 12.325 -26.910 393 HG LEU 58 HG LEU 58 25.336 14.146 -26.114 394 1HD1 LEU 58 1HD1 LEU 58 26.888 14.505 -24.046 395 2HD1 LEU 58 2HD1 LEU 58 27.815 15.502 -25.165 396 3HD1 LEU 58 3HD1 LEU 58 26.127 15.882 -24.840 397 1HD2 LEU 58 1HD2 LEU 58 26.826 14.039 -28.198 398 2HD2 LEU 58 2HD2 LEU 58 26.238 15.621 -27.688 399 3HD2 LEU 58 3HD2 LEU 58 27.893 15.138 -27.325 400 HA PRO 59 HA PRO 59 28.099 10.787 -26.714 401 1HB PRO 59 1HB PRO 59 28.836 8.189 -27.070 402 2HB PRO 59 2HB PRO 59 29.978 9.464 -26.629 403 1HG PRO 59 2HG PRO 59 30.309 7.968 -24.869 404 2HG PRO 59 1HG PRO 59 28.611 7.457 -24.871 405 1HD PRO 59 1HD PRO 59 28.544 8.931 -23.086 406 2HD PRO 59 2HD PRO 59 29.845 9.942 -23.748 407 H PHE 60 H PHE 60 26.195 10.790 -27.760 408 HA PHE 60 HA PHE 60 24.342 8.554 -27.255 409 1HB PHE 60 1HB PHE 60 22.598 10.085 -28.191 410 2HB PHE 60 2HB PHE 60 23.352 10.683 -26.717 411 HD1 PHE 60 HD1 PHE 60 23.894 10.846 -30.398 412 HD2 PHE 60 HD2 PHE 60 23.918 12.915 -26.673 413 HE1 PHE 60 HE1 PHE 60 24.479 12.932 -31.562 414 HE2 PHE 60 HE2 PHE 60 24.493 15.001 -27.837 415 HZ PHE 60 HZ PHE 60 24.784 15.005 -30.277 416 H THR 61 H THR 61 22.778 8.382 -29.315 417 HA THR 61 HA THR 61 24.519 8.132 -31.680 418 HB THR 61 HB THR 61 22.294 6.210 -31.495 419 HG1 THR 61 HG1 THR 61 23.194 6.321 -29.297 420 1HG2 THR 61 1HG2 THR 61 25.232 5.986 -32.159 421 2HG2 THR 61 2HG2 THR 61 24.061 4.675 -32.307 422 3HG2 THR 61 3HG2 THR 61 23.900 6.118 -33.310 423 H TYR 62 H TYR 62 23.785 9.089 -33.457 424 HA TYR 62 HA TYR 62 20.914 9.439 -33.844 425 1HB TYR 62 1HB TYR 62 21.466 11.514 -32.794 426 2HB TYR 62 2HB TYR 62 22.914 11.700 -33.779 427 HD1 TYR 62 HD1 TYR 62 19.216 11.354 -34.175 428 HD2 TYR 62 HD2 TYR 62 22.816 13.104 -35.616 429 HE1 TYR 62 HE1 TYR 62 17.923 12.643 -35.821 430 HE2 TYR 62 HE2 TYR 62 21.533 14.398 -37.267 431 HH TYR 62 HH TYR 62 18.184 13.797 -37.872 432 H ASN 63 H ASN 63 20.303 9.217 -35.917 433 HA ASN 63 HA ASN 63 20.401 8.905 -38.168 434 1HB ASN 63 1HB ASN 63 22.409 10.888 -37.637 435 2HB ASN 63 2HB ASN 63 22.967 9.818 -38.920 436 2HD2 ASN 63 1HD2 ASN 63 22.265 12.580 -39.145 437 1HD2 ASN 63 2HD2 ASN 63 20.943 12.680 -40.254 438 H GLY 64 H GLY 64 22.104 7.294 -35.999 439 1HA GLY 64 1HA GLY 64 22.647 4.985 -36.410 440 2HA GLY 64 2HA GLY 64 23.175 5.442 -38.023 441 H ARG 65 H ARG 65 24.463 7.861 -36.504 442 HA ARG 65 HA ARG 65 26.959 6.423 -35.951 443 1HB ARG 65 1HB ARG 65 28.105 8.522 -36.346 444 2HB ARG 65 2HB ARG 65 27.035 8.169 -37.696 445 1HG ARG 65 1HG ARG 65 25.496 9.691 -35.949 446 2HG ARG 65 2HG ARG 65 27.090 10.444 -35.938 447 1HD ARG 65 1HD ARG 65 25.501 11.306 -37.687 448 2HD ARG 65 2HD ARG 65 27.066 10.752 -38.285 449 HE ARG 65 HE ARG 65 25.214 8.639 -38.380 450 1HH1 ARG 65 1HH1 ARG 65 25.965 11.653 -39.952 451 2HH1 ARG 65 2HH1 ARG 65 25.277 11.183 -41.471 452 1HH2 ARG 65 1HH2 ARG 65 24.305 8.007 -40.377 453 2HH2 ARG 65 2HH2 ARG 65 24.333 9.111 -41.712 454 H THR 66 H THR 66 28.316 8.253 -34.440 455 HA THR 66 HA THR 66 26.655 8.656 -32.048 456 HB THR 66 HB THR 66 29.457 7.676 -31.698 457 HG1 THR 66 HG1 THR 66 28.952 5.693 -32.270 458 1HG2 THR 66 1HG2 THR 66 27.981 8.535 -29.828 459 2HG2 THR 66 2HG2 THR 66 26.977 7.108 -30.084 460 3HG2 THR 66 3HG2 THR 66 28.661 6.924 -29.593 461 H PHE 67 H PHE 67 27.494 10.203 -30.531 462 HA PHE 67 HA PHE 67 29.698 11.880 -31.450 463 1HB PHE 67 1HB PHE 67 27.145 13.230 -30.633 464 2HB PHE 67 2HB PHE 67 28.495 13.875 -31.561 465 HD1 PHE 67 HD1 PHE 67 25.913 11.194 -31.793 466 HD2 PHE 67 HD2 PHE 67 28.212 14.145 -33.820 467 HE1 PHE 67 HE1 PHE 67 24.704 10.698 -33.877 468 HE2 PHE 67 HE2 PHE 67 27.007 13.655 -35.908 469 HZ PHE 67 HZ PHE 67 25.251 11.929 -35.939 470 H TYR 68 H TYR 68 30.908 12.631 -29.828 471 HA TYR 68 HA TYR 68 29.946 12.173 -27.088 472 1HB TYR 68 1HB TYR 68 32.706 12.245 -28.293 473 2HB TYR 68 2HB TYR 68 32.455 12.379 -26.557 474 HD1 TYR 68 HD1 TYR 68 31.432 10.189 -29.410 475 HD2 TYR 68 HD2 TYR 68 32.540 10.443 -25.310 476 HE1 TYR 68 HE1 TYR 68 31.358 7.738 -29.244 477 HE2 TYR 68 HE2 TYR 68 32.467 7.992 -25.132 478 HH TYR 68 HH TYR 68 31.341 5.987 -27.801 479 H SER 69 H SER 69 29.334 14.516 -28.757 480 HA SER 69 HA SER 69 29.642 16.533 -26.832 481 1HB SER 69 1HB SER 69 32.024 16.260 -27.991 482 2HB SER 69 2HB SER 69 31.276 17.288 -29.213 483 HG SER 69 HG SER 69 30.666 18.373 -26.920 484 H CYS 70 H CYS 70 29.675 18.787 -28.536 485 HA CYS 70 HA CYS 70 26.973 18.729 -29.459 486 1HB CYS 70 2HB CYS 70 27.126 21.003 -29.608 487 2HB CYS 70 1HB CYS 70 28.741 20.961 -30.298 488 H THR 71 H THR 71 26.236 19.098 -31.623 489 HA THR 71 HA THR 71 28.090 18.936 -33.813 490 HB THR 71 HB THR 71 27.901 16.545 -33.021 491 HG1 THR 71 HG1 THR 71 28.215 16.018 -35.059 492 1HG2 THR 71 1HG2 THR 71 25.058 16.993 -33.904 493 2HG2 THR 71 2HG2 THR 71 25.785 15.389 -33.817 494 3HG2 THR 71 3HG2 THR 71 25.635 16.369 -32.360 495 H THR 72 H THR 72 27.135 19.294 -35.830 496 HA THR 72 HA THR 72 24.330 20.188 -35.713 497 HB THR 72 HB THR 72 25.399 21.438 -37.926 498 HG1 THR 72 HG1 THR 72 27.506 21.309 -37.580 499 1HG2 THR 72 1HG2 THR 72 24.671 22.217 -35.168 500 2HG2 THR 72 2HG2 THR 72 25.638 23.383 -36.070 501 3HG2 THR 72 3HG2 THR 72 24.083 22.841 -36.710 502 H GLU 73 H GLU 73 24.119 17.758 -36.192 503 HA GLU 73 HA GLU 73 24.570 17.105 -38.996 504 1HB GLU 73 1HB GLU 73 24.209 15.586 -36.521 505 2HB GLU 73 2HB GLU 73 23.312 14.925 -37.883 506 1HG GLU 73 1HG GLU 73 26.066 15.642 -38.528 507 2HG GLU 73 2HG GLU 73 25.923 14.399 -37.287 508 H GLY 74 H GLY 74 21.862 16.913 -36.695 509 1HA GLY 74 1HA GLY 74 20.058 17.470 -38.964 510 2HA GLY 74 2HA GLY 74 19.668 16.275 -37.740 511 H ARG 75 H ARG 75 20.357 19.720 -38.175 512 HA ARG 75 HA ARG 75 18.621 20.268 -35.862 513 1HB ARG 75 1HB ARG 75 19.780 22.484 -35.752 514 2HB ARG 75 2HB ARG 75 20.817 21.107 -35.417 515 1HG ARG 75 1HG ARG 75 20.728 22.092 -38.206 516 2HG ARG 75 2HG ARG 75 21.550 23.089 -37.011 517 1HD ARG 75 1HD ARG 75 23.032 21.316 -36.445 518 2HD ARG 75 2HD ARG 75 22.116 20.160 -37.398 519 HE ARG 75 HE ARG 75 23.847 22.289 -38.446 520 1HH1 ARG 75 1HH1 ARG 75 21.957 19.402 -39.019 521 2HH1 ARG 75 2HH1 ARG 75 22.551 19.198 -40.629 522 1HH2 ARG 75 1HH2 ARG 75 24.616 22.008 -40.554 523 2HH2 ARG 75 2HH2 ARG 75 24.056 20.669 -41.501 524 H GLN 76 H GLN 76 18.042 22.911 -36.271 525 HA GLN 76 HA GLN 76 16.283 22.728 -38.597 526 1HB GLN 76 2HB GLN 76 15.533 23.323 -36.184 527 2HB GLN 76 1HB GLN 76 14.855 24.214 -37.539 528 1HG GLN 76 1HG GLN 76 16.157 25.234 -35.276 529 2HG GLN 76 2HG GLN 76 17.243 25.508 -36.637 530 2HE2 GLN 76 1HE2 GLN 76 16.421 27.717 -35.602 531 1HE2 GLN 76 2HE2 GLN 76 15.149 28.463 -36.502 532 H ASP 77 H ASP 77 19.025 24.495 -37.418 533 HA ASP 77 HA ASP 77 18.976 26.107 -39.878 534 1HB ASP 77 1HB ASP 77 18.531 27.249 -37.510 535 2HB ASP 77 2HB ASP 77 20.290 27.239 -37.463 536 H GLY 78 H GLY 78 21.301 25.704 -37.225 537 1HA GLY 78 1HA GLY 78 23.092 23.973 -38.374 538 2HA GLY 78 2HA GLY 78 23.499 25.542 -39.048 539 H HIS 79 H HIS 79 22.369 24.701 -35.804 540 HA HIS 79 HA HIS 79 24.848 25.877 -34.734 541 1HB HIS 79 2HB HIS 79 23.599 27.140 -33.372 542 2HB HIS 79 1HB HIS 79 22.768 25.718 -32.756 543 HD1 HIS 79 HD1 HIS 79 20.843 24.858 -34.691 544 HD2 HIS 79 HD2 HIS 79 21.827 28.884 -34.405 545 HE1 HIS 79 HE1 HIS 79 18.910 26.096 -35.720 546 HE2 HIS 79 HE2 HIS 79 19.493 28.534 -35.466 547 H LEU 80 H LEU 80 26.078 24.707 -33.354 548 HA LEU 80 HA LEU 80 26.015 21.981 -33.230 549 1HB LEU 80 1HB LEU 80 27.144 24.066 -31.408 550 2HB LEU 80 2HB LEU 80 27.208 22.385 -30.922 551 HG LEU 80 HG LEU 80 28.418 21.874 -33.049 552 1HD1 LEU 80 1HD1 LEU 80 28.339 24.871 -33.296 553 2HD1 LEU 80 2HD1 LEU 80 29.494 23.855 -34.159 554 3HD1 LEU 80 3HD1 LEU 80 27.766 23.669 -34.452 555 1HD2 LEU 80 1HD2 LEU 80 29.359 23.110 -30.680 556 2HD2 LEU 80 2HD2 LEU 80 30.215 22.007 -31.757 557 3HD2 LEU 80 3HD2 LEU 80 30.298 23.748 -32.029 558 H TRP 81 H TRP 81 24.304 20.781 -32.670 559 HA TRP 81 HA TRP 81 22.830 21.521 -30.231 560 1HB TRP 81 1HB TRP 81 20.920 20.321 -31.148 561 2HB TRP 81 2HB TRP 81 21.481 21.534 -32.294 562 HD1 TRP 81 HD1 TRP 81 22.505 20.673 -34.599 563 HE1 TRP 81 HE1 TRP 81 22.430 18.395 -35.778 564 HE3 TRP 81 HE3 TRP 81 20.930 17.776 -30.685 565 HZ2 TRP 81 HZ2 TRP 81 21.792 15.719 -35.145 566 HZ3 TRP 81 HZ3 TRP 81 20.611 15.366 -31.060 567 HH2 TRP 81 HH2 TRP 81 21.034 14.359 -33.244 568 H CYS 82 H CYS 82 22.195 19.903 -28.772 569 HA CYS 82 HA CYS 82 23.512 17.297 -29.052 570 1HB CYS 82 1HB CYS 82 24.480 17.374 -26.904 571 2HB CYS 82 2HB CYS 82 24.845 18.943 -27.614 572 H SER 83 H SER 83 22.520 15.591 -27.915 573 HA SER 83 HA SER 83 19.683 15.947 -27.538 574 1HB SER 83 2HB SER 83 20.671 13.936 -28.652 575 2HB SER 83 1HB SER 83 19.593 13.542 -27.316 576 HG SER 83 HG SER 83 22.224 13.865 -26.593 577 H THR 84 H THR 84 18.616 16.153 -25.664 578 HA THR 84 HA THR 84 20.142 16.363 -23.216 579 HB THR 84 HB THR 84 18.241 17.318 -22.211 580 HG1 THR 84 HG1 THR 84 16.151 17.094 -23.098 581 1HG2 THR 84 1HG2 THR 84 18.878 18.120 -24.948 582 2HG2 THR 84 2HG2 THR 84 17.279 18.643 -24.420 583 3HG2 THR 84 3HG2 THR 84 18.707 19.101 -23.492 584 H THR 85 H THR 85 18.598 13.874 -24.834 585 HA THR 85 HA THR 85 18.788 12.165 -22.510 586 HB THR 85 HB THR 85 16.315 13.268 -22.973 587 HG1 THR 85 HG1 THR 85 15.658 11.309 -21.673 588 1HG2 THR 85 1HG2 THR 85 16.315 10.510 -24.213 589 2HG2 THR 85 2HG2 THR 85 14.874 11.421 -23.766 590 3HG2 THR 85 3HG2 THR 85 15.941 12.026 -25.033 591 H SER 86 H SER 86 18.470 9.857 -23.071 592 HA SER 86 HA SER 86 20.007 9.087 -25.239 593 1HB SER 86 2HB SER 86 19.676 6.953 -24.508 594 2HB SER 86 1HB SER 86 17.929 7.157 -24.378 595 HG SER 86 HG SER 86 19.784 7.319 -22.454 596 H ASN 87 H ASN 87 16.496 8.488 -24.990 597 HA ASN 87 HA ASN 87 16.220 7.977 -27.768 598 1HB ASN 87 1HB ASN 87 14.590 7.788 -25.451 599 2HB ASN 87 2HB ASN 87 13.719 8.771 -26.623 600 2HD2 ASN 87 1HD2 ASN 87 12.462 6.606 -26.135 601 1HD2 ASN 87 2HD2 ASN 87 12.682 5.387 -27.339 602 H TYR 88 H TYR 88 17.291 9.902 -28.619 603 HA TYR 88 HA TYR 88 15.995 12.455 -28.309 604 1HB TYR 88 1HB TYR 88 18.330 12.590 -28.630 605 2HB TYR 88 2HB TYR 88 18.294 11.462 -29.982 606 HD1 TYR 88 HD1 TYR 88 17.185 14.864 -28.965 607 HD2 TYR 88 HD2 TYR 88 18.186 12.258 -32.173 608 HE1 TYR 88 HE1 TYR 88 17.074 16.758 -30.528 609 HE2 TYR 88 HE2 TYR 88 18.077 14.144 -33.748 610 HH TYR 88 HH TYR 88 18.368 17.042 -33.171 611 H GLU 89 H GLU 89 16.112 9.876 -30.685 612 HA GLU 89 HA GLU 89 14.685 11.294 -32.704 613 1HB GLU 89 1HB GLU 89 15.282 8.365 -32.297 614 2HB GLU 89 2HB GLU 89 14.390 8.972 -33.684 615 1HG GLU 89 1HG GLU 89 16.234 9.720 -34.701 616 2HG GLU 89 2HG GLU 89 16.925 10.346 -33.204 617 H GLN 90 H GLN 90 13.707 10.215 -29.752 618 HA GLN 90 HA GLN 90 10.985 9.583 -30.668 619 1HB GLN 90 1HB GLN 90 11.621 7.814 -29.308 620 2HB GLN 90 2HB GLN 90 12.552 8.843 -28.230 621 1HG GLN 90 2HG GLN 90 10.372 9.819 -27.450 622 2HG GLN 90 1HG GLN 90 10.664 8.135 -27.016 623 2HE2 GLN 90 1HE2 GLN 90 8.410 7.892 -26.716 624 1HE2 GLN 90 2HE2 GLN 90 7.354 7.688 -28.068 625 H ASP 91 H ASP 91 12.773 11.494 -28.282 626 HA ASP 91 HA ASP 91 10.386 13.037 -27.654 627 1HB ASP 91 1HB ASP 91 12.032 12.288 -25.887 628 2HB ASP 91 2HB ASP 91 13.179 13.433 -26.573 629 H GLN 92 H GLN 92 13.300 13.285 -29.518 630 HA GLN 92 HA GLN 92 14.141 14.892 -30.889 631 1HB GLN 92 1HB GLN 92 11.196 15.278 -30.999 632 2HB GLN 92 2HB GLN 92 12.194 16.556 -31.677 633 1HG GLN 92 2HG GLN 92 11.589 15.048 -33.423 634 2HG GLN 92 1HG GLN 92 12.142 13.660 -32.485 635 2HE2 GLN 92 1HE2 GLN 92 13.896 16.652 -32.517 636 1HE2 GLN 92 2HE2 GLN 92 15.239 16.093 -33.449 637 H LYS 93 H LYS 93 14.637 15.419 -28.286 638 HA LYS 93 HA LYS 93 14.355 18.344 -28.157 639 1HB LYS 93 1HB LYS 93 13.855 18.340 -25.922 640 2HB LYS 93 2HB LYS 93 13.098 16.826 -26.394 641 1HG LYS 93 1HG LYS 93 15.876 17.004 -25.255 642 2HG LYS 93 2HG LYS 93 14.429 16.753 -24.279 643 1HD LYS 93 1HD LYS 93 14.344 14.590 -24.808 644 2HD LYS 93 2HD LYS 93 14.524 14.939 -26.528 645 1HE LYS 93 1HE LYS 93 17.011 15.400 -25.212 646 2HE LYS 93 2HE LYS 93 16.415 13.805 -24.768 647 1HZ LYS 93 1HZ LYS 93 16.045 14.194 -27.527 648 2HZ LYS 93 2HZ LYS 93 17.650 14.564 -27.141 649 3HZ LYS 93 3HZ LYS 93 17.013 13.048 -26.744 650 H TYR 94 H TYR 94 16.212 19.296 -28.443 651 HA TYR 94 HA TYR 94 18.649 18.087 -27.331 652 1HB TYR 94 1HB TYR 94 19.884 18.633 -29.341 653 2HB TYR 94 2HB TYR 94 18.496 17.649 -29.774 654 HD1 TYR 94 HD1 TYR 94 19.482 21.242 -29.483 655 HD2 TYR 94 HD2 TYR 94 17.171 18.326 -31.545 656 HE1 TYR 94 HE1 TYR 94 18.779 22.955 -31.106 657 HE2 TYR 94 HE2 TYR 94 16.464 20.027 -33.173 658 HH TYR 94 HH TYR 94 16.351 22.934 -32.864 659 H SER 95 H SER 95 20.513 19.756 -27.499 660 HA SER 95 HA SER 95 19.518 22.461 -26.930 661 1HB SER 95 1HB SER 95 21.771 22.011 -25.267 662 2HB SER 95 2HB SER 95 20.102 22.293 -24.774 663 HG SER 95 HG SER 95 19.792 19.988 -25.071 664 H PHE 96 H PHE 96 20.795 24.110 -27.663 665 HA PHE 96 HA PHE 96 22.680 23.499 -29.689 666 1HB PHE 96 1HB PHE 96 21.787 26.052 -28.382 667 2HB PHE 96 2HB PHE 96 23.114 26.048 -29.538 668 HD1 PHE 96 HD1 PHE 96 21.939 23.830 -31.318 669 HD2 PHE 96 HD2 PHE 96 20.301 27.389 -29.653 670 HE1 PHE 96 HE1 PHE 96 20.321 23.941 -33.160 671 HE2 PHE 96 HE2 PHE 96 18.680 27.507 -31.499 672 HZ PHE 96 HZ PHE 96 18.690 25.780 -33.255 673 H CYS 97 H CYS 97 24.812 24.933 -29.644 674 HA CYS 97 HA CYS 97 26.171 24.693 -27.072 675 1HB CYS 97 1HB CYS 97 26.521 22.860 -29.268 676 2HB CYS 97 2HB CYS 97 28.021 23.727 -28.959 677 H THR 98 H THR 98 28.004 26.006 -26.869 678 HA THR 98 HA THR 98 27.968 28.373 -28.442 679 HB THR 98 HB THR 98 30.227 28.723 -27.099 680 HG1 THR 98 HG1 THR 98 30.287 27.473 -25.236 681 1HG2 THR 98 1HG2 THR 98 28.036 29.907 -26.810 682 2HG2 THR 98 2HG2 THR 98 27.584 28.657 -25.651 683 3HG2 THR 98 3HG2 THR 98 28.963 29.706 -25.323 684 H ASP 99 H ASP 99 31.087 27.019 -27.692 685 HA ASP 99 HA ASP 99 32.882 26.453 -28.965 686 1HB ASP 99 1HB ASP 99 31.050 24.880 -29.956 687 2HB ASP 99 2HB ASP 99 31.104 25.972 -31.336 688 H HIS 100 H HIS 100 30.587 28.028 -31.206 689 HA HIS 100 HA HIS 100 32.549 30.165 -31.605 690 1HB HIS 100 1HB HIS 100 32.786 28.469 -33.436 691 2HB HIS 100 2HB HIS 100 31.123 28.810 -33.899 692 HD1 HIS 100 HD1 HIS 100 33.005 31.774 -32.837 693 HD2 HIS 100 HD2 HIS 100 32.297 29.724 -36.381 694 HE1 HIS 100 HE1 HIS 100 33.688 33.350 -34.673 695 HE2 HIS 100 HE2 HIS 100 33.348 32.048 -36.804 696 H THR 101 H THR 101 29.246 29.015 -32.047 697 HA THR 101 HA THR 101 28.336 31.816 -31.949 698 HB THR 101 HB THR 101 26.413 31.232 -33.292 699 HG1 THR 101 HG1 THR 101 27.349 28.634 -32.848 700 1HG2 THR 101 1HG2 THR 101 28.876 31.543 -34.276 701 2HG2 THR 101 2HG2 THR 101 28.549 29.917 -34.875 702 3HG2 THR 101 3HG2 THR 101 27.476 31.248 -35.307 No H/Q in entry = 702 Start of MODEL 55 1 H1 TYR 1 H1 TYR 1 52.178 7.105 -41.576 2 H2 TYR 1 H2 TYR 1 53.284 6.141 -42.422 3 H3 TYR 1 H3 TYR 1 51.809 6.563 -43.136 4 HA TYR 1 HA TYR 1 51.112 4.578 -42.458 5 1HB TYR 1 1HB TYR 1 53.602 4.777 -40.852 6 2HB TYR 1 2HB TYR 1 52.386 3.639 -40.279 7 HD1 TYR 1 HD1 TYR 1 52.415 4.182 -43.834 8 HD2 TYR 1 HD2 TYR 1 54.161 1.894 -40.701 9 HE1 TYR 1 HE1 TYR 1 53.192 2.532 -45.481 10 HE2 TYR 1 HE2 TYR 1 54.943 0.237 -42.341 11 HH TYR 1 HH TYR 1 55.477 0.162 -44.771 12 H GLY 2 H GLY 2 49.793 6.816 -41.705 13 1HA GLY 2 1HA GLY 2 49.319 7.349 -39.049 14 2HA GLY 2 2HA GLY 2 48.088 7.450 -40.299 15 H HIS 3 H HIS 3 49.341 5.622 -37.654 16 HA HIS 3 HA HIS 3 46.878 4.155 -37.437 17 1HB HIS 3 1HB HIS 3 49.035 2.954 -38.825 18 2HB HIS 3 2HB HIS 3 48.925 2.158 -37.259 19 HD1 HIS 3 HD1 HIS 3 48.153 0.935 -40.123 20 HD2 HIS 3 HD2 HIS 3 45.534 2.314 -37.207 21 HE1 HIS 3 HE1 HIS 3 45.971 -0.233 -40.572 22 HE2 HIS 3 HE2 HIS 3 44.425 0.558 -38.748 23 H CYS 4 H CYS 4 46.554 4.875 -35.385 24 HA CYS 4 HA CYS 4 48.727 4.587 -33.444 25 1HB CYS 4 1HB CYS 4 46.133 6.109 -33.425 26 2HB CYS 4 2HB CYS 4 47.040 5.828 -31.952 27 H VAL 5 H VAL 5 47.827 4.028 -31.148 28 HA VAL 5 HA VAL 5 45.745 2.024 -31.135 29 HB VAL 5 HB VAL 5 48.368 1.044 -30.106 30 1HG1 VAL 5 1HG1 VAL 5 46.151 -0.105 -29.746 31 2HG1 VAL 5 2HG1 VAL 5 46.139 -0.440 -31.478 32 3HG1 VAL 5 3HG1 VAL 5 47.421 -1.098 -30.463 33 1HG2 VAL 5 1HG2 VAL 5 48.754 1.876 -32.441 34 2HG2 VAL 5 2HG2 VAL 5 49.039 0.151 -32.211 35 3HG2 VAL 5 3HG2 VAL 5 47.555 0.704 -32.986 36 H THR 6 H THR 6 45.193 1.312 -28.985 37 HA THR 6 HA THR 6 45.851 3.332 -26.981 38 HB THR 6 HB THR 6 43.901 2.723 -25.824 39 HG1 THR 6 HG1 THR 6 42.877 0.759 -26.083 40 1HG2 THR 6 1HG2 THR 6 43.707 2.908 -28.742 41 2HG2 THR 6 2HG2 THR 6 42.292 2.191 -27.971 42 3HG2 THR 6 3HG2 THR 6 42.838 3.798 -27.492 43 H ASP 7 H ASP 7 47.218 0.558 -27.870 44 HA ASP 7 HA ASP 7 48.758 -0.779 -26.841 45 1HB ASP 7 1HB ASP 7 48.386 1.350 -24.960 46 2HB ASP 7 2HB ASP 7 48.506 -0.171 -24.082 47 H SER 8 H SER 8 45.522 -0.793 -26.397 48 HA SER 8 HA SER 8 45.483 -3.083 -24.574 49 1HB SER 8 1HB SER 8 43.745 -0.913 -24.938 50 2HB SER 8 2HB SER 8 42.883 -2.307 -25.588 51 HG SER 8 HG SER 8 42.553 -2.001 -23.322 52 H GLY 9 H GLY 9 45.081 -2.229 -27.913 53 1HA GLY 9 1HA GLY 9 45.574 -4.465 -29.195 54 2HA GLY 9 2HA GLY 9 43.985 -4.867 -28.561 55 H VAL 10 H VAL 10 43.286 -1.908 -28.859 56 HA VAL 10 HA VAL 10 42.283 -2.154 -31.568 57 HB VAL 10 HB VAL 10 41.857 0.151 -29.669 58 1HG1 VAL 10 1HG1 VAL 10 41.180 -0.177 -32.334 59 2HG1 VAL 10 2HG1 VAL 10 39.696 -0.563 -31.463 60 3HG1 VAL 10 3HG1 VAL 10 40.486 0.993 -31.211 61 1HG2 VAL 10 1HG2 VAL 10 41.235 -2.188 -28.793 62 2HG2 VAL 10 2HG2 VAL 10 40.012 -0.919 -28.725 63 3HG2 VAL 10 3HG2 VAL 10 39.948 -2.138 -29.998 64 H VAL 11 H VAL 11 43.197 -1.271 -33.298 65 HA VAL 11 HA VAL 11 45.350 0.685 -32.910 66 HB VAL 11 HB VAL 11 44.678 -0.881 -35.404 67 1HG1 VAL 11 1HG1 VAL 11 46.172 1.382 -35.189 68 2HG1 VAL 11 2HG1 VAL 11 47.396 0.129 -34.984 69 3HG1 VAL 11 3HG1 VAL 11 46.387 0.148 -36.430 70 1HG2 VAL 11 1HG2 VAL 11 46.623 -1.457 -33.180 71 2HG2 VAL 11 2HG2 VAL 11 45.308 -2.476 -33.764 72 3HG2 VAL 11 3HG2 VAL 11 46.728 -2.204 -34.773 73 H TYR 12 H TYR 12 44.173 2.586 -32.692 74 HA TYR 12 HA TYR 12 42.190 3.326 -34.658 75 1HB TYR 12 1HB TYR 12 43.423 4.789 -32.325 76 2HB TYR 12 2HB TYR 12 42.277 5.545 -33.426 77 HD1 TYR 12 HD1 TYR 12 40.002 4.311 -33.725 78 HD2 TYR 12 HD2 TYR 12 42.639 3.691 -30.445 79 HE1 TYR 12 HE1 TYR 12 38.129 3.428 -32.395 80 HE2 TYR 12 HE2 TYR 12 40.776 2.804 -29.105 81 HH TYR 12 HH TYR 12 37.528 3.137 -30.029 82 H SER 13 H SER 13 42.574 4.330 -36.521 83 HA SER 13 HA SER 13 45.215 4.987 -37.332 84 1HB SER 13 1HB SER 13 42.647 4.714 -38.560 85 2HB SER 13 2HB SER 13 43.358 6.246 -39.058 86 HG SER 13 HG SER 13 43.958 4.457 -40.403 87 H VAL 14 H VAL 14 45.548 7.208 -38.475 88 HA VAL 14 HA VAL 14 45.398 9.192 -36.399 89 HB VAL 14 HB VAL 14 47.404 8.980 -37.817 90 1HG1 VAL 14 1HG1 VAL 14 45.793 8.606 -39.899 91 2HG1 VAL 14 2HG1 VAL 14 46.065 10.339 -40.087 92 3HG1 VAL 14 3HG1 VAL 14 47.433 9.228 -40.078 93 1HG2 VAL 14 1HG2 VAL 14 45.881 11.531 -37.629 94 2HG2 VAL 14 2HG2 VAL 14 47.391 11.057 -36.852 95 3HG2 VAL 14 3HG2 VAL 14 47.382 11.510 -38.556 96 H GLY 15 H GLY 15 43.109 9.448 -36.263 97 1HA GLY 15 1HA GLY 15 41.863 11.587 -36.930 98 2HA GLY 15 2HA GLY 15 41.908 10.886 -38.539 99 H MET 16 H MET 16 41.589 8.439 -36.264 100 HA MET 16 HA MET 16 38.770 8.156 -36.941 101 1HB MET 16 1HB MET 16 40.785 6.331 -36.794 102 2HB MET 16 2HB MET 16 40.037 6.127 -35.216 103 1HG MET 16 1HG MET 16 38.049 6.249 -37.298 104 2HG MET 16 2HG MET 16 39.238 4.987 -37.618 105 1HE MET 16 1HE MET 16 39.960 3.335 -36.191 106 2HE MET 16 2HE MET 16 39.186 2.699 -34.739 107 3HE MET 16 3HE MET 16 38.524 2.319 -36.329 108 H GLN 17 H GLN 17 39.162 10.281 -35.282 109 HA GLN 17 HA GLN 17 39.249 10.366 -32.679 110 1HB GLN 17 1HB GLN 17 37.214 11.482 -34.526 111 2HB GLN 17 2HB GLN 17 36.856 11.573 -32.806 112 1HG GLN 17 1HG GLN 17 39.080 12.664 -32.487 113 2HG GLN 17 2HG GLN 17 39.228 12.733 -34.243 114 2HE2 GLN 17 1HE2 GLN 17 37.233 13.754 -31.525 115 1HE2 GLN 17 2HE2 GLN 17 36.614 15.180 -32.278 116 H TRP 18 H TRP 18 38.870 8.842 -31.213 117 HA TRP 18 HA TRP 18 36.238 7.521 -31.261 118 1HB TRP 18 1HB TRP 18 37.265 5.556 -30.263 119 2HB TRP 18 2HB TRP 18 38.083 5.969 -31.766 120 HD1 TRP 18 HD1 TRP 18 38.657 5.662 -28.035 121 HE1 TRP 18 HE1 TRP 18 41.155 5.942 -27.546 122 HE3 TRP 18 HE3 TRP 18 40.225 7.212 -32.649 123 HZ2 TRP 18 HZ2 TRP 18 43.504 6.718 -28.931 124 HZ3 TRP 18 HZ3 TRP 18 42.606 7.706 -32.982 125 HH2 TRP 18 HH2 TRP 18 44.213 7.465 -31.167 126 H LEU 19 H LEU 19 36.210 6.322 -28.848 127 HA LEU 19 HA LEU 19 36.486 8.514 -26.897 128 1HB LEU 19 1HB LEU 19 34.158 6.692 -27.425 129 2HB LEU 19 2HB LEU 19 34.392 7.400 -25.841 130 HG LEU 19 HG LEU 19 32.935 8.503 -27.883 131 1HD1 LEU 19 1HD1 LEU 19 32.844 9.001 -25.462 132 2HD1 LEU 19 2HD1 LEU 19 34.270 10.019 -25.654 133 3HD1 LEU 19 3HD1 LEU 19 32.768 10.440 -26.481 134 1HD2 LEU 19 1HD2 LEU 19 35.623 9.852 -27.814 135 2HD2 LEU 19 2HD2 LEU 19 34.839 9.104 -29.205 136 3HD2 LEU 19 3HD2 LEU 19 34.165 10.563 -28.488 137 H LYS 20 H LYS 20 37.757 7.961 -25.254 138 HA LYS 20 HA LYS 20 37.952 5.100 -24.583 139 1HB LYS 20 1HB LYS 20 40.202 5.247 -24.359 140 2HB LYS 20 2HB LYS 20 39.991 6.577 -25.487 141 1HG LYS 20 1HG LYS 20 40.196 8.188 -23.774 142 2HG LYS 20 2HG LYS 20 40.037 6.965 -22.509 143 1HD LYS 20 1HD LYS 20 42.285 6.962 -24.506 144 2HD LYS 20 2HD LYS 20 42.384 7.811 -22.961 145 1HE LYS 20 1HE LYS 20 42.592 5.899 -21.781 146 2HE LYS 20 2HE LYS 20 41.468 5.021 -22.819 147 1HZ LYS 20 1HZ LYS 20 43.258 4.901 -24.497 148 2HZ LYS 20 2HZ LYS 20 44.324 5.601 -23.385 149 3HZ LYS 20 3HZ LYS 20 43.640 4.088 -23.064 150 H THR 21 H THR 21 37.400 4.478 -22.612 151 HA THR 21 HA THR 21 36.843 6.561 -20.609 152 HB THR 21 HB THR 21 35.545 3.922 -21.198 153 HG1 THR 21 HG1 THR 21 34.823 6.146 -21.895 154 1HG2 THR 21 1HG2 THR 21 35.374 5.394 -18.564 155 2HG2 THR 21 2HG2 THR 21 34.344 4.048 -19.052 156 3HG2 THR 21 3HG2 THR 21 36.075 3.796 -18.824 157 H GLN 22 H GLN 22 38.904 3.982 -21.336 158 HA GLN 22 HA GLN 22 39.431 3.151 -18.633 159 1HB GLN 22 1HB GLN 22 40.416 2.444 -21.331 160 2HB GLN 22 2HB GLN 22 41.570 2.237 -20.020 161 1HG GLN 22 1HG GLN 22 38.890 1.162 -19.499 162 2HG GLN 22 2HG GLN 22 39.781 0.372 -20.800 163 2HE2 GLN 22 1HE2 GLN 22 41.056 -1.228 -20.221 164 1HE2 GLN 22 2HE2 GLN 22 41.728 -1.480 -18.651 165 H GLY 23 H GLY 23 39.985 5.034 -17.534 166 1HA GLY 23 1HA GLY 23 42.620 5.650 -17.182 167 2HA GLY 23 2HA GLY 23 42.098 6.749 -18.450 168 H ASN 24 H ASN 24 39.338 6.750 -17.200 169 HA ASN 24 HA ASN 24 39.530 7.832 -14.600 170 1HB ASN 24 1HB ASN 24 40.297 9.618 -16.659 171 2HB ASN 24 2HB ASN 24 38.710 10.137 -16.099 172 2HD2 ASN 24 1HD2 ASN 24 40.887 11.730 -15.739 173 1HD2 ASN 24 2HD2 ASN 24 41.291 11.805 -14.062 174 H LYS 25 H LYS 25 37.676 8.792 -17.492 175 HA LYS 25 HA LYS 25 35.335 7.375 -16.581 176 1HB LYS 25 1HB LYS 25 33.997 9.612 -16.725 177 2HB LYS 25 2HB LYS 25 34.839 9.198 -15.237 178 1HG LYS 25 1HG LYS 25 36.657 10.618 -16.874 179 2HG LYS 25 2HG LYS 25 35.131 11.503 -16.871 180 1HD LYS 25 1HD LYS 25 35.366 10.863 -14.244 181 2HD LYS 25 2HD LYS 25 37.061 11.046 -14.700 182 1HE LYS 25 1HE LYS 25 36.760 13.275 -15.356 183 2HE LYS 25 2HE LYS 25 35.007 13.105 -15.434 184 1HZ LYS 25 1HZ LYS 25 35.520 12.531 -12.858 185 2HZ LYS 25 2HZ LYS 25 36.698 13.702 -13.175 186 3HZ LYS 25 3HZ LYS 25 35.063 14.056 -13.428 187 H GLN 26 H GLN 26 36.028 10.215 -18.621 188 HA GLN 26 HA GLN 26 35.432 8.672 -21.014 189 1HB GLN 26 1HB GLN 26 34.007 11.282 -20.762 190 2HB GLN 26 2HB GLN 26 33.593 9.872 -21.727 191 1HG GLN 26 1HG GLN 26 32.647 8.758 -19.910 192 2HG GLN 26 2HG GLN 26 33.437 9.811 -18.737 193 2HE2 GLN 26 1HE2 GLN 26 30.916 9.521 -18.253 194 1HE2 GLN 26 2HE2 GLN 26 29.967 10.869 -18.768 195 H MET 27 H MET 27 37.153 9.062 -22.249 196 HA MET 27 HA MET 27 38.100 11.840 -22.453 197 1HB MET 27 1HB MET 27 39.517 9.662 -21.385 198 2HB MET 27 2HB MET 27 40.223 9.967 -22.967 199 1HG MET 27 1HG MET 27 40.131 12.473 -22.073 200 2HG MET 27 2HG MET 27 40.224 11.633 -20.525 201 1HE MET 27 1HE MET 27 41.865 10.966 -19.473 202 2HE MET 27 2HE MET 27 43.000 9.809 -20.168 203 3HE MET 27 3HE MET 27 43.528 11.452 -19.806 204 H LEU 28 H LEU 28 37.882 12.600 -24.416 205 HA LEU 28 HA LEU 28 37.411 10.902 -26.692 206 1HB LEU 28 1HB LEU 28 36.809 13.518 -26.001 207 2HB LEU 28 2HB LEU 28 38.005 13.688 -27.274 208 HG LEU 28 HG LEU 28 36.322 11.771 -28.273 209 1HD1 LEU 28 1HD1 LEU 28 34.896 13.294 -26.279 210 2HD1 LEU 28 2HD1 LEU 28 34.186 13.503 -27.878 211 3HD1 LEU 28 3HD1 LEU 28 34.377 11.885 -27.202 212 1HD2 LEU 28 1HD2 LEU 28 37.345 14.121 -29.091 213 2HD2 LEU 28 2HD2 LEU 28 36.104 13.238 -29.980 214 3HD2 LEU 28 3HD2 LEU 28 35.648 14.569 -28.918 215 H CYS 29 H CYS 29 39.060 9.885 -27.684 216 HA CYS 29 HA CYS 29 41.707 11.123 -27.625 217 1HB CYS 29 1HB CYS 29 40.726 8.342 -28.132 218 2HB CYS 29 2HB CYS 29 42.328 8.829 -28.677 219 H THR 30 H THR 30 42.953 11.528 -29.393 220 HA THR 30 HA THR 30 41.795 11.201 -32.062 221 HB THR 30 HB THR 30 42.656 13.857 -30.906 222 HG1 THR 30 HG1 THR 30 40.322 12.754 -31.042 223 1HG2 THR 30 1HG2 THR 30 43.628 13.546 -33.148 224 2HG2 THR 30 2HG2 THR 30 42.022 13.188 -33.783 225 3HG2 THR 30 3HG2 THR 30 42.378 14.791 -33.141 226 H CYS 31 H CYS 31 43.334 10.096 -33.118 227 HA CYS 31 HA CYS 31 46.116 10.353 -32.401 228 1HB CYS 31 1HB CYS 31 45.408 8.149 -32.983 229 2HB CYS 31 2HB CYS 31 44.669 8.702 -34.472 230 H LEU 32 H LEU 32 46.964 12.284 -32.961 231 HA LEU 32 HA LEU 32 46.456 13.383 -35.605 232 1HB LEU 32 1HB LEU 32 47.865 15.284 -34.699 233 2HB LEU 32 2HB LEU 32 46.355 14.975 -33.869 234 HG LEU 32 HG LEU 32 48.476 13.474 -32.641 235 1HD1 LEU 32 1HD1 LEU 32 49.266 16.023 -33.611 236 2HD1 LEU 32 2HD1 LEU 32 49.153 16.093 -31.852 237 3HD1 LEU 32 3HD1 LEU 32 50.173 14.879 -32.622 238 1HD2 LEU 32 1HD2 LEU 32 46.200 14.225 -31.761 239 2HD2 LEU 32 2HD2 LEU 32 47.577 14.358 -30.667 240 3HD2 LEU 32 3HD2 LEU 32 46.960 15.792 -31.486 241 H GLY 33 H GLY 33 48.974 14.709 -35.933 242 1HA GLY 33 1HA GLY 33 50.424 12.613 -37.226 243 2HA GLY 33 2HA GLY 33 50.873 14.308 -37.172 244 H ASN 34 H ASN 34 51.040 14.639 -34.390 245 HA ASN 34 HA ASN 34 53.645 13.588 -33.936 246 1HB ASN 34 1HB ASN 34 53.785 15.251 -32.435 247 2HB ASN 34 2HB ASN 34 52.180 15.735 -32.963 248 2HD2 ASN 34 1HD2 ASN 34 53.793 15.606 -30.327 249 1HD2 ASN 34 2HD2 ASN 34 52.640 14.983 -29.201 250 H GLY 35 H GLY 35 50.449 12.572 -33.118 251 1HA GLY 35 1HA GLY 35 50.984 9.984 -32.515 252 2HA GLY 35 2HA GLY 35 51.257 10.806 -30.986 253 H VAL 36 H VAL 36 49.572 10.625 -29.678 254 HA VAL 36 HA VAL 36 46.893 11.019 -30.802 255 HB VAL 36 HB VAL 36 47.881 8.620 -29.379 256 1HG1 VAL 36 1HG1 VAL 36 45.305 9.963 -28.632 257 2HG1 VAL 36 2HG1 VAL 36 45.466 8.207 -28.569 258 3HG1 VAL 36 3HG1 VAL 36 46.519 9.225 -27.585 259 1HG2 VAL 36 1HG2 VAL 36 47.012 8.876 -31.776 260 2HG2 VAL 36 2HG2 VAL 36 46.468 7.491 -30.832 261 3HG2 VAL 36 3HG2 VAL 36 45.410 8.887 -31.043 262 H SER 37 H SER 37 45.859 12.569 -29.804 263 HA SER 37 HA SER 37 46.450 13.119 -26.971 264 1HB SER 37 1HB SER 37 47.256 14.815 -28.845 265 2HB SER 37 2HB SER 37 45.571 15.331 -28.788 266 HG SER 37 HG SER 37 46.532 15.060 -26.295 267 H CYS 38 H CYS 38 44.699 12.887 -25.716 268 HA CYS 38 HA CYS 38 42.079 13.014 -27.030 269 1HB CYS 38 1HB CYS 38 42.409 11.708 -24.375 270 2HB CYS 38 2HB CYS 38 41.318 11.300 -25.691 271 H GLN 39 H GLN 39 40.224 13.622 -25.543 272 HA GLN 39 HA GLN 39 41.056 15.920 -23.891 273 1HB GLN 39 1HB GLN 39 38.506 15.431 -25.434 274 2HB GLN 39 2HB GLN 39 38.739 16.779 -24.331 275 1HG GLN 39 1HG GLN 39 40.377 17.757 -25.703 276 2HG GLN 39 2HG GLN 39 40.563 16.288 -26.661 277 2HE2 GLN 39 1HE2 GLN 39 37.595 17.881 -25.622 278 1HE2 GLN 39 2HE2 GLN 39 37.012 18.231 -27.210 279 H GLU 40 H GLU 40 40.818 15.678 -21.770 280 HA GLU 40 HA GLU 40 39.618 13.464 -20.559 281 1HB GLU 40 1HB GLU 40 41.207 15.567 -19.726 282 2HB GLU 40 2HB GLU 40 39.705 15.813 -18.843 283 1HG GLU 40 1HG GLU 40 40.129 13.126 -18.567 284 2HG GLU 40 2HG GLU 40 41.763 13.785 -18.515 285 H THR 41 H THR 41 37.540 13.355 -21.559 286 HA THR 41 HA THR 41 35.273 13.421 -21.368 287 HB THR 41 HB THR 41 35.856 15.255 -19.049 288 HG1 THR 41 HG1 THR 41 35.053 13.382 -17.912 289 1HG2 THR 41 1HG2 THR 41 33.228 14.353 -20.196 290 2HG2 THR 41 2HG2 THR 41 33.403 14.820 -18.504 291 3HG2 THR 41 3HG2 THR 41 33.744 15.988 -19.781 292 H ALA 42 H ALA 42 37.035 16.434 -21.618 293 HA ALA 42 HA ALA 42 36.701 18.122 -23.155 294 1HB ALA 42 1HB ALA 42 34.899 16.241 -24.081 295 2HB ALA 42 3HB ALA 42 35.292 17.777 -24.853 296 3HB ALA 42 2HB ALA 42 33.899 17.662 -23.777 297 H VAL 43 H VAL 43 33.816 17.285 -21.258 298 HA VAL 43 HA VAL 43 32.856 18.429 -19.520 299 HB VAL 43 HB VAL 43 35.280 19.684 -19.637 300 1HG1 VAL 43 1HG1 VAL 43 33.948 21.449 -21.065 301 2HG1 VAL 43 2HG1 VAL 43 33.448 22.010 -19.469 302 3HG1 VAL 43 3HG1 VAL 43 35.161 21.945 -19.885 303 1HG2 VAL 43 1HG2 VAL 43 32.951 19.727 -17.841 304 2HG2 VAL 43 2HG2 VAL 43 34.623 19.258 -17.531 305 3HG2 VAL 43 3HG2 VAL 43 34.177 20.966 -17.569 306 H THR 44 H THR 44 31.924 20.938 -19.307 307 HA THR 44 HA THR 44 31.023 22.455 -21.318 308 HB THR 44 HB THR 44 28.644 21.208 -21.618 309 HG1 THR 44 HG1 THR 44 29.064 18.991 -21.970 310 1HG2 THR 44 1HG2 THR 44 31.007 21.645 -23.202 311 2HG2 THR 44 2HG2 THR 44 30.226 20.135 -23.670 312 3HG2 THR 44 3HG2 THR 44 29.314 21.645 -23.697 313 H GLN 45 H GLN 45 28.410 22.958 -20.989 314 HA GLN 45 HA GLN 45 28.136 23.341 -18.081 315 1HB GLN 45 2HB GLN 45 27.218 25.460 -18.423 316 2HB GLN 45 1HB GLN 45 26.795 25.116 -20.094 317 1HG GLN 45 1HG GLN 45 29.292 25.035 -20.548 318 2HG GLN 45 2HG GLN 45 28.582 26.614 -20.212 319 2HE2 GLN 45 1HE2 GLN 45 29.617 27.826 -18.807 320 1HE2 GLN 45 2HE2 GLN 45 30.706 27.270 -17.587 321 H THR 46 H THR 46 25.785 23.762 -17.438 322 HA THR 46 HA THR 46 23.750 22.499 -19.030 323 HB THR 46 HB THR 46 23.210 20.813 -17.181 324 HG1 THR 46 HG1 THR 46 24.781 20.349 -15.739 325 1HG2 THR 46 1HG2 THR 46 24.604 20.560 -19.502 326 2HG2 THR 46 2HG2 THR 46 25.760 19.912 -18.339 327 3HG2 THR 46 3HG2 THR 46 24.147 19.209 -18.465 328 H TYR 47 H TYR 47 21.739 23.170 -18.443 329 HA TYR 47 HA TYR 47 21.054 24.009 -15.819 330 1HB TYR 47 1HB TYR 47 20.885 26.364 -16.088 331 2HB TYR 47 2HB TYR 47 22.501 25.920 -16.624 332 HD1 TYR 47 HD1 TYR 47 21.440 24.778 -19.351 333 HD2 TYR 47 HD2 TYR 47 20.898 28.460 -17.291 334 HE1 TYR 47 HE1 TYR 47 21.045 25.913 -21.497 335 HE2 TYR 47 HE2 TYR 47 20.497 29.604 -19.430 336 HH TYR 47 HH TYR 47 20.031 29.274 -21.638 337 H GLY 48 H GLY 48 18.877 24.089 -15.552 338 1HA GLY 48 1HA GLY 48 16.648 23.889 -16.062 339 2HA GLY 48 2HA GLY 48 17.006 24.753 -17.549 340 H GLY 49 H GLY 49 16.586 23.686 -19.357 341 1HA GLY 49 1HA GLY 49 16.172 21.963 -20.817 342 2HA GLY 49 2HA GLY 49 17.405 21.078 -19.932 343 H ASN 50 H ASN 50 16.587 19.110 -19.579 344 HA ASN 50 HA ASN 50 13.875 18.943 -18.438 345 1HB ASN 50 1HB ASN 50 14.086 17.924 -20.699 346 2HB ASN 50 2HB ASN 50 15.303 16.825 -20.059 347 2HD2 ASN 50 1HD2 ASN 50 13.902 15.123 -20.750 348 1HD2 ASN 50 2HD2 ASN 50 12.558 14.655 -19.771 349 H SER 51 H SER 51 17.208 18.178 -18.079 350 HA SER 51 HA SER 51 16.670 16.345 -15.861 351 1HB SER 51 1HB SER 51 19.035 16.907 -17.590 352 2HB SER 51 2HB SER 51 19.328 16.318 -15.955 353 HG SER 51 HG SER 51 18.770 14.415 -16.615 354 H ASN 52 H ASN 52 16.843 19.566 -16.231 355 HA ASN 52 HA ASN 52 17.166 21.314 -14.815 356 1HB ASN 52 1HB ASN 52 15.911 20.067 -13.181 357 2HB ASN 52 2HB ASN 52 17.313 19.078 -12.787 358 2HD2 ASN 52 1HD2 ASN 52 18.793 19.814 -11.356 359 1HD2 ASN 52 2HD2 ASN 52 18.649 21.307 -10.500 360 H GLY 53 H GLY 53 19.462 19.513 -15.929 361 1HA GLY 53 1HA GLY 53 21.698 20.276 -16.166 362 2HA GLY 53 2HA GLY 53 21.573 21.052 -14.595 363 H GLU 54 H GLU 54 21.670 17.861 -16.148 364 HA GLU 54 HA GLU 54 23.133 16.877 -13.789 365 1HB GLU 54 1HB GLU 54 20.935 15.558 -15.350 366 2HB GLU 54 2HB GLU 54 22.098 14.603 -14.448 367 1HG GLU 54 2HG GLU 54 20.361 14.827 -12.957 368 2HG GLU 54 1HG GLU 54 20.017 16.487 -13.443 369 HA PRO 55 HA PRO 55 26.387 15.295 -16.272 370 1HB PRO 55 2HB PRO 55 27.268 13.443 -15.249 371 2HB PRO 55 1HB PRO 55 25.772 12.519 -15.419 372 1HG PRO 55 1HG PRO 55 25.691 12.981 -13.145 373 2HG PRO 55 2HG PRO 55 26.539 14.527 -13.337 374 1HD PRO 55 2HD PRO 55 24.386 15.338 -13.135 375 2HD PRO 55 1HD PRO 55 23.663 13.867 -13.819 376 H CYS 56 H CYS 56 26.566 14.826 -18.380 377 HA CYS 56 HA CYS 56 24.292 13.747 -19.783 378 1HB CYS 56 1HB CYS 56 26.978 14.495 -20.940 379 2HB CYS 56 2HB CYS 56 25.445 14.352 -21.794 380 H VAL 57 H VAL 57 24.371 11.948 -21.230 381 HA VAL 57 HA VAL 57 26.325 9.901 -20.415 382 HB VAL 57 HB VAL 57 23.972 9.444 -19.733 383 1HG1 VAL 57 1HG1 VAL 57 23.169 10.497 -22.016 384 2HG1 VAL 57 2HG1 VAL 57 23.268 8.820 -22.552 385 3HG1 VAL 57 3HG1 VAL 57 22.228 9.251 -21.195 386 1HG2 VAL 57 1HG2 VAL 57 25.652 7.652 -20.172 387 2HG2 VAL 57 2HG2 VAL 57 23.978 7.142 -20.395 388 3HG2 VAL 57 3HG2 VAL 57 24.987 7.496 -21.798 389 H LEU 58 H LEU 58 27.657 10.880 -22.172 390 HA LEU 58 HA LEU 58 26.819 9.882 -24.813 391 1HB LEU 58 1HB LEU 58 28.790 11.588 -25.450 392 2HB LEU 58 2HB LEU 58 27.102 12.051 -25.346 393 HG LEU 58 HG LEU 58 28.634 13.649 -24.237 394 1HD1 LEU 58 1HD1 LEU 58 26.211 12.609 -23.311 395 2HD1 LEU 58 2HD1 LEU 58 27.233 12.789 -21.884 396 3HD1 LEU 58 3HD1 LEU 58 26.924 14.176 -22.930 397 1HD2 LEU 58 1HD2 LEU 58 29.690 11.250 -23.110 398 2HD2 LEU 58 2HD2 LEU 58 30.294 12.901 -22.970 399 3HD2 LEU 58 3HD2 LEU 58 29.113 12.293 -21.809 400 HA PRO 59 HA PRO 59 28.397 10.400 -26.826 401 1HB PRO 59 2HB PRO 59 29.496 9.515 -28.608 402 2HB PRO 59 1HB PRO 59 28.910 7.891 -28.254 403 1HG PRO 59 1HG PRO 59 31.137 7.600 -27.680 404 2HG PRO 59 2HG PRO 59 31.333 9.302 -27.218 405 1HD PRO 59 2HD PRO 59 31.172 8.324 -25.111 406 2HD PRO 59 1HD PRO 59 30.068 7.057 -25.685 407 H PHE 60 H PHE 60 26.356 10.376 -27.557 408 HA PHE 60 HA PHE 60 24.742 7.969 -27.018 409 1HB PHE 60 1HB PHE 60 22.799 9.658 -26.966 410 2HB PHE 60 2HB PHE 60 23.880 9.613 -25.577 411 HD1 PHE 60 HD1 PHE 60 22.980 11.493 -28.613 412 HD2 PHE 60 HD2 PHE 60 25.200 11.487 -24.983 413 HE1 PHE 60 HE1 PHE 60 23.393 13.905 -28.867 414 HE2 PHE 60 HE2 PHE 60 25.617 13.899 -25.230 415 HZ PHE 60 HZ PHE 60 24.714 15.110 -27.176 416 H THR 61 H THR 61 22.576 8.220 -28.437 417 HA THR 61 HA THR 61 23.438 8.899 -31.172 418 HB THR 61 HB THR 61 21.491 6.706 -30.991 419 HG1 THR 61 HG1 THR 61 22.618 5.677 -29.503 420 1HG2 THR 61 1HG2 THR 61 24.097 7.127 -32.460 421 2HG2 THR 61 2HG2 THR 61 23.041 5.731 -32.679 422 3HG2 THR 61 3HG2 THR 61 22.470 7.344 -33.105 423 H TYR 62 H TYR 62 22.133 10.256 -32.186 424 HA TYR 62 HA TYR 62 19.276 10.273 -31.542 425 1HB TYR 62 1HB TYR 62 20.035 12.054 -30.171 426 2HB TYR 62 2HB TYR 62 21.117 12.658 -31.422 427 HD1 TYR 62 HD1 TYR 62 17.503 12.147 -30.676 428 HD2 TYR 62 HD2 TYR 62 20.414 14.372 -32.837 429 HE1 TYR 62 HE1 TYR 62 15.748 13.690 -31.440 430 HE2 TYR 62 HE2 TYR 62 18.667 15.922 -33.606 431 HH TYR 62 HH TYR 62 15.478 15.286 -33.523 432 H ASN 63 H ASN 63 18.076 10.257 -33.314 433 HA ASN 63 HA ASN 63 17.383 10.518 -35.463 434 1HB ASN 63 1HB ASN 63 19.397 12.665 -35.180 435 2HB ASN 63 2HB ASN 63 19.025 12.177 -36.831 436 2HD2 ASN 63 1HD2 ASN 63 18.461 14.697 -35.960 437 1HD2 ASN 63 2HD2 ASN 63 16.752 14.906 -35.841 438 H GLY 64 H GLY 64 20.024 8.964 -34.517 439 1HA GLY 64 1HA GLY 64 20.666 6.993 -35.774 440 2HA GLY 64 2HA GLY 64 20.563 7.960 -37.236 441 H ARG 65 H ARG 65 21.953 10.098 -35.354 442 HA ARG 65 HA ARG 65 24.647 9.219 -36.104 443 1HB ARG 65 1HB ARG 65 25.308 11.538 -35.958 444 2HB ARG 65 2HB ARG 65 23.869 11.405 -36.959 445 1HG ARG 65 1HG ARG 65 23.114 11.846 -34.231 446 2HG ARG 65 2HG ARG 65 24.280 13.067 -34.743 447 1HD ARG 65 1HD ARG 65 22.041 12.393 -36.580 448 2HD ARG 65 2HD ARG 65 21.684 13.364 -35.153 449 HE ARG 65 HE ARG 65 23.821 14.619 -36.240 450 1HH1 ARG 65 1HH1 ARG 65 20.744 13.591 -37.506 451 2HH1 ARG 65 2HH1 ARG 65 20.659 14.857 -38.685 452 1HH2 ARG 65 1HH2 ARG 65 23.720 16.291 -37.790 453 2HH2 ARG 65 2HH2 ARG 65 22.351 16.392 -38.847 454 H THR 66 H THR 66 26.176 10.788 -34.426 455 HA THR 66 HA THR 66 25.437 10.003 -31.702 456 HB THR 66 HB THR 66 28.131 9.349 -32.906 457 HG1 THR 66 HG1 THR 66 25.934 7.662 -32.233 458 1HG2 THR 66 1HG2 THR 66 27.895 9.899 -30.394 459 2HG2 THR 66 2HG2 THR 66 27.058 8.352 -30.289 460 3HG2 THR 66 3HG2 THR 66 28.730 8.415 -30.851 461 H PHE 67 H PHE 67 26.518 11.166 -30.047 462 HA PHE 67 HA PHE 67 28.169 13.432 -30.895 463 1HB PHE 67 2HB PHE 67 26.855 15.052 -29.799 464 2HB PHE 67 1HB PHE 67 25.921 13.835 -28.934 465 HD1 PHE 67 HD1 PHE 67 24.581 12.177 -30.510 466 HD2 PHE 67 HD2 PHE 67 25.882 16.082 -31.599 467 HE1 PHE 67 HE1 PHE 67 22.852 12.262 -32.257 468 HE2 PHE 67 HE2 PHE 67 24.155 16.174 -33.348 469 HZ PHE 67 HZ PHE 67 22.639 14.261 -33.680 470 H TYR 68 H TYR 68 29.877 13.724 -29.615 471 HA TYR 68 HA TYR 68 30.268 12.030 -27.336 472 1HB TYR 68 1HB TYR 68 31.974 14.183 -28.593 473 2HB TYR 68 2HB TYR 68 32.485 13.209 -27.216 474 HD1 TYR 68 HD1 TYR 68 30.791 10.799 -28.596 475 HD2 TYR 68 HD2 TYR 68 34.062 13.274 -29.712 476 HE1 TYR 68 HE1 TYR 68 31.581 9.039 -30.111 477 HE2 TYR 68 HE2 TYR 68 34.877 11.519 -31.228 478 HH TYR 68 HH TYR 68 33.413 9.368 -32.507 479 H SER 69 H SER 69 28.775 14.992 -27.727 480 HA SER 69 HA SER 69 28.484 15.378 -24.932 481 1HB SER 69 1HB SER 69 30.844 16.438 -25.878 482 2HB SER 69 2HB SER 69 29.753 17.822 -25.933 483 HG SER 69 HG SER 69 29.844 16.193 -23.645 484 H CYS 70 H CYS 70 27.945 18.129 -24.910 485 HA CYS 70 HA CYS 70 25.319 18.255 -25.689 486 1HB CYS 70 2HB CYS 70 25.375 20.547 -25.204 487 2HB CYS 70 1HB CYS 70 27.038 20.722 -25.749 488 H THR 71 H THR 71 24.310 19.656 -27.352 489 HA THR 71 HA THR 71 25.698 20.418 -29.694 490 HB THR 71 HB THR 71 25.808 17.915 -29.936 491 HG1 THR 71 HG1 THR 71 25.008 18.020 -32.146 492 1HG2 THR 71 1HG2 THR 71 22.826 18.279 -29.957 493 2HG2 THR 71 2HG2 THR 71 23.584 16.937 -30.815 494 3HG2 THR 71 3HG2 THR 71 23.794 17.099 -29.070 495 H THR 72 H THR 72 23.862 20.369 -31.615 496 HA THR 72 HA THR 72 21.300 21.207 -30.502 497 HB THR 72 HB THR 72 21.504 23.213 -32.217 498 HG1 THR 72 HG1 THR 72 23.899 22.292 -32.395 499 1HG2 THR 72 1HG2 THR 72 21.345 23.052 -29.570 500 2HG2 THR 72 2HG2 THR 72 22.985 23.686 -29.689 501 3HG2 THR 72 3HG2 THR 72 21.639 24.581 -30.395 502 H GLU 73 H GLU 73 20.699 19.197 -31.558 503 HA GLU 73 HA GLU 73 20.280 19.577 -34.445 504 1HB GLU 73 1HB GLU 73 21.381 17.240 -32.972 505 2HB GLU 73 2HB GLU 73 20.303 16.907 -34.322 506 1HG GLU 73 1HG GLU 73 22.790 18.595 -34.470 507 2HG GLU 73 2HG GLU 73 22.675 16.905 -34.962 508 H GLY 74 H GLY 74 19.109 18.184 -31.433 509 1HA GLY 74 1HA GLY 74 16.460 17.837 -32.686 510 2HA GLY 74 2HA GLY 74 17.025 16.939 -31.289 511 H ARG 75 H ARG 75 16.815 20.382 -32.156 512 HA ARG 75 HA ARG 75 15.276 20.815 -29.685 513 1HB ARG 75 1HB ARG 75 16.458 23.007 -29.443 514 2HB ARG 75 2HB ARG 75 17.488 21.602 -29.204 515 1HG ARG 75 1HG ARG 75 18.166 21.885 -31.640 516 2HG ARG 75 2HG ARG 75 17.399 23.472 -31.546 517 1HD ARG 75 1HD ARG 75 18.981 23.365 -29.290 518 2HD ARG 75 2HD ARG 75 19.943 22.540 -30.515 519 HE ARG 75 HE ARG 75 19.644 25.286 -30.302 520 1HH1 ARG 75 1HH1 ARG 75 19.332 22.841 -32.777 521 2HH1 ARG 75 2HH1 ARG 75 19.717 23.925 -34.069 522 1HH2 ARG 75 1HH2 ARG 75 20.165 26.708 -32.005 523 2HH2 ARG 75 2HH2 ARG 75 20.192 26.116 -33.633 524 H GLN 76 H GLN 76 13.977 22.809 -29.708 525 HA GLN 76 HA GLN 76 13.164 23.542 -32.446 526 1HB GLN 76 2HB GLN 76 10.913 23.470 -31.865 527 2HB GLN 76 1HB GLN 76 11.248 23.626 -30.146 528 1HG GLN 76 1HG GLN 76 12.395 21.207 -31.225 529 2HG GLN 76 2HG GLN 76 11.290 21.429 -29.869 530 2HE2 GLN 76 1HE2 GLN 76 9.216 20.873 -30.103 531 1HE2 GLN 76 2HE2 GLN 76 8.494 20.337 -31.579 532 H ASP 77 H ASP 77 14.969 24.789 -30.281 533 HA ASP 77 HA ASP 77 13.781 27.469 -30.481 534 1HB ASP 77 1HB ASP 77 14.168 26.026 -28.083 535 2HB ASP 77 2HB ASP 77 15.403 27.280 -28.118 536 H GLY 78 H GLY 78 16.797 26.388 -28.978 537 1HA GLY 78 1HA GLY 78 18.627 26.692 -30.957 538 2HA GLY 78 2HA GLY 78 18.275 28.347 -30.492 539 H HIS 79 H HIS 79 18.347 25.589 -28.302 540 HA HIS 79 HA HIS 79 20.733 26.766 -27.032 541 1HB HIS 79 1HB HIS 79 19.399 25.248 -25.087 542 2HB HIS 79 2HB HIS 79 19.514 27.000 -25.172 543 HD1 HIS 79 HD1 HIS 79 17.274 24.247 -26.544 544 HD2 HIS 79 HD2 HIS 79 17.105 28.219 -25.337 545 HE1 HIS 79 HE1 HIS 79 14.846 24.886 -26.674 546 HE2 HIS 79 HE2 HIS 79 14.757 27.265 -25.848 547 H LEU 80 H LEU 80 22.380 25.428 -26.447 548 HA LEU 80 HA LEU 80 22.634 22.928 -27.728 549 1HB LEU 80 1HB LEU 80 24.215 24.498 -25.768 550 2HB LEU 80 2HB LEU 80 24.540 22.777 -25.836 551 HG LEU 80 HG LEU 80 25.021 22.983 -28.253 552 1HD1 LEU 80 1HD1 LEU 80 23.592 25.026 -28.557 553 2HD1 LEU 80 2HD1 LEU 80 24.893 25.955 -27.814 554 3HD1 LEU 80 3HD1 LEU 80 25.179 25.092 -29.326 555 1HD2 LEU 80 1HD2 LEU 80 26.591 23.809 -26.075 556 2HD2 LEU 80 2HD2 LEU 80 27.142 23.245 -27.654 557 3HD2 LEU 80 3HD2 LEU 80 26.889 24.968 -27.371 558 H TRP 81 H TRP 81 22.484 20.831 -26.951 559 HA TRP 81 HA TRP 81 21.624 20.441 -24.188 560 1HB TRP 81 1HB TRP 81 19.695 19.091 -24.852 561 2HB TRP 81 2HB TRP 81 19.547 20.733 -25.469 562 HD1 TRP 81 HD1 TRP 81 19.649 21.069 -28.114 563 HE1 TRP 81 HE1 TRP 81 19.417 19.421 -30.075 564 HE3 TRP 81 HE3 TRP 81 20.243 16.676 -25.563 565 HZ2 TRP 81 HZ2 TRP 81 19.478 16.626 -30.488 566 HZ3 TRP 81 HZ3 TRP 81 20.142 14.561 -26.816 567 HH2 TRP 81 HH2 TRP 81 19.767 14.540 -29.228 568 H CYS 82 H CYS 82 21.736 18.245 -23.469 569 HA CYS 82 HA CYS 82 23.303 16.452 -25.186 570 1HB CYS 82 2HB CYS 82 24.713 17.712 -23.458 571 2HB CYS 82 1HB CYS 82 24.862 15.958 -23.482 572 H SER 83 H SER 83 23.432 14.200 -24.005 573 HA SER 83 HA SER 83 20.670 13.534 -23.283 574 1HB SER 83 1HB SER 83 21.105 11.323 -24.036 575 2HB SER 83 2HB SER 83 21.864 12.386 -25.223 576 HG SER 83 HG SER 83 23.640 11.900 -23.318 577 H THR 84 H THR 84 20.189 12.217 -21.498 578 HA THR 84 HA THR 84 22.335 12.055 -19.483 579 HB THR 84 HB THR 84 20.613 12.334 -17.742 580 HG1 THR 84 HG1 THR 84 18.739 11.687 -18.730 581 1HG2 THR 84 1HG2 THR 84 21.344 14.376 -19.707 582 2HG2 THR 84 2HG2 THR 84 19.901 14.771 -18.773 583 3HG2 THR 84 3HG2 THR 84 21.420 14.423 -17.946 584 H THR 85 H THR 85 19.761 10.447 -21.134 585 HA THR 85 HA THR 85 20.239 8.022 -19.529 586 HB THR 85 HB THR 85 17.757 8.924 -20.988 587 HG1 THR 85 HG1 THR 85 18.257 9.494 -18.695 588 1HG2 THR 85 1HG2 THR 85 18.702 6.207 -20.427 589 2HG2 THR 85 2HG2 THR 85 17.086 6.547 -19.806 590 3HG2 THR 85 3HG2 THR 85 17.434 6.763 -21.521 591 H SER 86 H SER 86 21.182 6.368 -20.545 592 HA SER 86 HA SER 86 22.373 6.397 -22.962 593 1HB SER 86 1HB SER 86 22.931 4.504 -21.777 594 2HB SER 86 2HB SER 86 21.263 4.170 -21.315 595 HG SER 86 HG SER 86 22.127 3.944 -23.993 596 H ASN 87 H ASN 87 18.979 5.932 -22.366 597 HA ASN 87 HA ASN 87 18.534 5.662 -25.267 598 1HB ASN 87 1HB ASN 87 17.697 3.948 -23.215 599 2HB ASN 87 2HB ASN 87 16.259 4.859 -23.665 600 2HD2 ASN 87 1HD2 ASN 87 16.223 5.157 -26.210 601 1HD2 ASN 87 2HD2 ASN 87 16.368 3.671 -27.080 602 H TYR 88 H TYR 88 18.631 8.038 -25.261 603 HA TYR 88 HA TYR 88 16.612 9.529 -23.881 604 1HB TYR 88 1HB TYR 88 18.497 10.820 -24.294 605 2HB TYR 88 2HB TYR 88 18.716 10.168 -25.914 606 HD1 TYR 88 HD1 TYR 88 17.256 10.965 -27.768 607 HD2 TYR 88 HD2 TYR 88 17.189 12.771 -23.916 608 HE1 TYR 88 HE1 TYR 88 16.139 12.938 -28.719 609 HE2 TYR 88 HE2 TYR 88 16.070 14.749 -24.856 610 HH TYR 88 HH TYR 88 16.069 15.651 -27.764 611 H GLU 89 H GLU 89 16.755 7.768 -26.808 612 HA GLU 89 HA GLU 89 14.802 9.186 -28.293 613 1HB GLU 89 2HB GLU 89 14.698 7.202 -29.703 614 2HB GLU 89 1HB GLU 89 15.535 6.260 -28.478 615 1HG GLU 89 1HG GLU 89 16.702 8.620 -29.934 616 2HG GLU 89 2HG GLU 89 17.534 7.586 -28.774 617 H GLN 90 H GLN 90 14.615 7.082 -25.606 618 HA GLN 90 HA GLN 90 11.705 6.830 -25.981 619 1HB GLN 90 1HB GLN 90 11.708 4.702 -25.118 620 2HB GLN 90 2HB GLN 90 13.275 4.716 -25.913 621 1HG GLN 90 1HG GLN 90 14.409 5.052 -23.853 622 2HG GLN 90 2HG GLN 90 12.895 5.355 -23.003 623 2HE2 GLN 90 1HE2 GLN 90 11.307 3.509 -23.120 624 1HE2 GLN 90 2HE2 GLN 90 11.948 1.918 -22.914 625 H ASP 91 H ASP 91 14.313 7.403 -23.688 626 HA ASP 91 HA ASP 91 12.583 7.910 -21.469 627 1HB ASP 91 1HB ASP 91 15.324 7.503 -21.817 628 2HB ASP 91 2HB ASP 91 15.191 9.166 -21.249 629 H GLN 92 H GLN 92 14.516 9.997 -23.610 630 HA GLN 92 HA GLN 92 14.043 12.107 -24.389 631 1HB GLN 92 1HB GLN 92 11.580 11.352 -23.826 632 2HB GLN 92 2HB GLN 92 11.774 12.459 -22.474 633 1HG GLN 92 1HG GLN 92 10.697 13.470 -24.459 634 2HG GLN 92 2HG GLN 92 12.168 14.297 -23.945 635 2HE2 GLN 92 1HE2 GLN 92 11.764 11.331 -25.824 636 1HE2 GLN 92 2HE2 GLN 92 12.580 11.903 -27.236 637 H LYS 93 H LYS 93 15.248 11.182 -21.629 638 HA LYS 93 HA LYS 93 15.186 13.652 -20.129 639 1HB LYS 93 1HB LYS 93 16.507 10.983 -19.745 640 2HB LYS 93 2HB LYS 93 16.976 12.361 -18.759 641 1HG LYS 93 1HG LYS 93 15.239 10.808 -17.784 642 2HG LYS 93 2HG LYS 93 14.844 12.528 -17.786 643 1HD LYS 93 1HD LYS 93 13.204 12.290 -19.358 644 2HD LYS 93 2HD LYS 93 13.991 10.911 -20.127 645 1HE LYS 93 2HE LYS 93 13.364 10.012 -17.578 646 2HE LYS 93 1HE LYS 93 12.520 9.614 -19.073 647 1HZ LYS 93 1HZ LYS 93 11.862 11.990 -17.426 648 2HZ LYS 93 2HZ LYS 93 10.964 11.336 -18.703 649 3HZ LYS 93 3HZ LYS 93 11.093 10.495 -17.240 650 H TYR 94 H TYR 94 16.251 15.309 -21.024 651 HA TYR 94 HA TYR 94 19.048 14.856 -21.830 652 1HB TYR 94 2HB TYR 94 17.490 15.285 -23.763 653 2HB TYR 94 1HB TYR 94 18.832 16.416 -23.626 654 HD1 TYR 94 HD1 TYR 94 15.199 16.005 -23.133 655 HD2 TYR 94 HD2 TYR 94 18.457 18.742 -23.230 656 HE1 TYR 94 HE1 TYR 94 13.613 17.884 -23.155 657 HE2 TYR 94 HE2 TYR 94 16.878 20.630 -23.252 658 HH TYR 94 HH TYR 94 14.750 21.251 -23.236 659 H SER 95 H SER 95 20.278 17.002 -21.913 660 HA SER 95 HA SER 95 19.428 18.847 -19.803 661 1HB SER 95 1HB SER 95 22.234 18.522 -19.524 662 2HB SER 95 2HB SER 95 20.976 18.108 -18.360 663 HG SER 95 HG SER 95 22.426 16.358 -19.096 664 H PHE 96 H PHE 96 20.015 20.953 -20.145 665 HA PHE 96 HA PHE 96 20.833 21.664 -22.776 666 1HB PHE 96 1HB PHE 96 20.116 23.159 -20.298 667 2HB PHE 96 2HB PHE 96 20.961 24.020 -21.578 668 HD1 PHE 96 HD1 PHE 96 19.713 22.560 -23.923 669 HD2 PHE 96 HD2 PHE 96 18.038 24.243 -20.393 670 HE1 PHE 96 HE1 PHE 96 17.584 22.892 -25.101 671 HE2 PHE 96 HE2 PHE 96 15.901 24.578 -21.566 672 HZ PHE 96 HZ PHE 96 15.675 23.901 -23.923 673 H CYS 97 H CYS 97 22.496 23.659 -22.798 674 HA CYS 97 HA CYS 97 24.833 23.276 -21.177 675 1HB CYS 97 1HB CYS 97 24.796 22.351 -24.044 676 2HB CYS 97 2HB CYS 97 26.287 22.811 -23.231 677 H THR 98 H THR 98 23.659 25.521 -21.129 678 HA THR 98 HA THR 98 23.604 27.470 -22.924 679 HB THR 98 HB THR 98 23.156 28.387 -20.899 680 HG1 THR 98 HG1 THR 98 24.624 29.878 -21.612 681 1HG2 THR 98 1HG2 THR 98 25.124 26.421 -19.962 682 2HG2 THR 98 2HG2 THR 98 25.072 27.908 -19.013 683 3HG2 THR 98 3HG2 THR 98 23.609 26.948 -19.227 684 H ASP 99 H ASP 99 26.561 26.032 -21.713 685 HA ASP 99 HA ASP 99 28.717 26.131 -22.429 686 1HB ASP 99 1HB ASP 99 27.875 25.694 -24.649 687 2HB ASP 99 2HB ASP 99 27.416 27.381 -24.856 688 H HIS 100 H HIS 100 27.271 29.156 -23.647 689 HA HIS 100 HA HIS 100 27.935 31.329 -23.448 690 1HB HIS 100 1HB HIS 100 27.284 30.426 -20.989 691 2HB HIS 100 2HB HIS 100 28.951 30.913 -20.696 692 HD1 HIS 100 HD1 HIS 100 25.648 32.345 -21.836 693 HD2 HIS 100 HD2 HIS 100 29.346 33.619 -20.433 694 HE1 HIS 100 HE1 HIS 100 25.393 34.810 -21.412 695 HE2 HIS 100 HE2 HIS 100 27.648 35.564 -20.576 696 H THR 101 H THR 101 29.870 32.728 -22.337 697 HA THR 101 HA THR 101 32.210 31.888 -23.770 698 HB THR 101 HB THR 101 31.420 34.292 -23.510 699 HG1 THR 101 HG1 THR 101 34.081 34.192 -22.658 700 1HG2 THR 101 1HG2 THR 101 31.548 33.721 -20.815 701 2HG2 THR 101 2HG2 THR 101 33.006 34.672 -21.095 702 3HG2 THR 101 3HG2 THR 101 31.427 35.332 -21.524 No H/Q in entry = 702
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