NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
594054 | 2n35 | 25634 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 15.695 -3.043 -2.435 2 H2 GLY 1 2H GLY 1 15.695 -3.043 -0.935 3 H3 GLY 1 3H GLY 1 15.695 -1.744 -1.685 4 HA2 GLY 1 2HA GLY 1 18.009 -3.129 -0.795 5 HA3 GLY 1 3HA GLY 1 18.009 -3.129 -2.574 6 H THR 2 H THR 2 16.852 -0.652 -3.090 7 HA THR 2 HA THR 2 19.115 1.127 -2.404 8 HB THR 2 HB THR 2 18.227 2.626 -4.077 9 HG1 THR 2 HG1 THR 2 16.183 1.890 -5.148 10 HG21 THR 2 3HG2 THR 2 17.912 -0.252 -5.017 11 HG22 THR 2 1HG2 THR 2 18.162 1.163 -6.066 12 HG23 THR 2 2HG2 THR 2 19.441 0.654 -4.938 13 H ILE 3 H ILE 3 18.623 3.445 -1.962 14 HA ILE 3 HA ILE 3 17.144 3.657 0.512 15 HB ILE 3 HB ILE 3 18.228 5.766 -1.408 16 HG12 ILE 3 2HG1 ILE 3 19.216 4.931 1.303 17 HG13 ILE 3 3HG1 ILE 3 19.825 4.273 -0.233 18 HG21 ILE 3 1HG2 ILE 3 17.845 7.379 0.425 19 HG22 ILE 3 2HG2 ILE 3 16.314 6.662 -0.127 20 HG23 ILE 3 3HG2 ILE 3 17.063 6.102 1.386 21 HD11 ILE 3 3HD1 ILE 3 19.927 7.189 0.618 22 HD12 ILE 3 1HD1 ILE 3 21.298 6.056 0.617 23 HD13 ILE 3 2HD1 ILE 3 20.535 6.531 -0.920 24 H ASP 4 H ASP 4 16.331 4.531 -2.820 25 HA ASP 4 HA ASP 4 13.770 5.676 -2.166 26 HB2 ASP 4 2HB ASP 4 14.790 4.396 -4.773 27 HB3 ASP 4 3HB ASP 4 13.203 5.124 -4.422 28 H GLU 5 H GLU 5 14.809 2.368 -2.904 29 HA GLU 5 HA GLU 5 12.125 1.264 -2.809 30 HB2 GLU 5 2HB GLU 5 14.873 0.055 -2.497 31 HB3 GLU 5 3HB GLU 5 13.364 -0.889 -2.469 32 HG2 GLU 5 2HG GLU 5 12.897 -0.239 -4.839 33 HG3 GLU 5 3HG GLU 5 14.276 0.874 -4.701 34 H TRP 6 H TRP 6 14.592 1.959 -0.409 35 HA TRP 6 HA TRP 6 13.311 0.550 1.766 36 HB2 TRP 6 2HB TRP 6 15.245 2.903 1.681 37 HB3 TRP 6 3HB TRP 6 14.678 2.145 3.189 38 HD1 TRP 6 HD1 TRP 6 14.824 -0.707 1.510 39 HE1 TRP 6 HE1 TRP 6 17.231 -1.937 1.528 40 HE3 TRP 6 HE3 TRP 6 17.686 3.301 2.766 41 HZ2 TRP 6 HZ2 TRP 6 19.835 -1.155 2.019 42 HZ3 TRP 6 HZ3 TRP 6 20.079 3.057 3.005 43 HH2 TRP 6 HH2 TRP 6 21.195 0.897 2.649 44 H LEU 7 H LEU 7 13.089 3.899 0.578 45 HA LEU 7 HA LEU 7 11.129 4.740 2.509 46 HB2 LEU 7 2HB LEU 7 11.634 5.526 -0.287 47 HB3 LEU 7 3HB LEU 7 10.644 6.551 0.778 48 HG LEU 7 HG LEU 7 13.554 5.880 1.327 49 HD11 LEU 7 1HD1 LEU 7 14.079 8.179 0.471 50 HD12 LEU 7 2HD1 LEU 7 13.379 7.158 -0.807 51 HD13 LEU 7 3HD1 LEU 7 12.373 8.379 0.007 52 HD21 LEU 7 3HD2 LEU 7 12.259 6.537 3.268 53 HD22 LEU 7 1HD2 LEU 7 13.420 7.820 2.851 54 HD23 LEU 7 2HD2 LEU 7 11.699 8.006 2.434 55 H LEU 8 H LEU 8 10.809 3.360 -0.758 56 HA LEU 8 HA LEU 8 7.937 3.400 -0.784 57 HB2 LEU 8 2HB LEU 8 8.951 3.193 -2.728 58 HB3 LEU 8 3HB LEU 8 10.065 1.866 -2.328 59 HG LEU 8 HG LEU 8 8.148 0.309 -2.205 60 HD11 LEU 8 1HD1 LEU 8 5.917 1.065 -3.071 61 HD12 LEU 8 2HD1 LEU 8 6.392 1.979 -1.620 62 HD13 LEU 8 3HD1 LEU 8 6.557 2.717 -3.231 63 HD21 LEU 8 3HD2 LEU 8 9.389 0.499 -4.279 64 HD22 LEU 8 1HD2 LEU 8 7.669 0.205 -4.627 65 HD23 LEU 8 2HD2 LEU 8 8.348 1.840 -4.814 66 H LYS 9 H LYS 9 10.272 0.947 0.291 67 HA LYS 9 HA LYS 9 8.428 -1.060 1.069 68 HB2 LYS 9 2HB LYS 9 10.883 -1.280 1.079 69 HB3 LYS 9 3HB LYS 9 10.954 -0.185 2.480 70 HG2 LYS 9 2HG LYS 9 9.815 -1.773 3.877 71 HG3 LYS 9 3HG LYS 9 9.453 -2.820 2.484 72 HD2 LYS 9 2HD LYS 9 12.208 -2.198 3.605 73 HD3 LYS 9 3HD LYS 9 11.316 -3.727 3.795 74 HE2 LYS 9 2HE LYS 9 11.390 -4.123 1.406 75 HE3 LYS 9 3HE LYS 9 12.146 -2.537 1.133 76 HZ1 LYS 9 3HZ LYS 9 13.352 -4.775 2.628 77 HZ2 LYS 9 1HZ LYS 9 13.764 -4.311 1.100 78 HZ3 LYS 9 2HZ LYS 9 14.054 -3.304 2.375 79 H GLU 10 H GLU 10 9.428 1.887 2.774 80 HA GLU 10 HA GLU 10 7.740 1.338 5.088 81 HB2 GLU 10 2HB GLU 10 9.057 3.839 4.026 82 HB3 GLU 10 3HB GLU 10 8.105 3.776 5.530 83 HG2 GLU 10 2HG GLU 10 9.777 2.142 6.494 84 HG3 GLU 10 3HG GLU 10 10.563 2.196 4.899 85 H ALA 11 H ALA 11 7.340 3.054 2.031 86 HA ALA 11 HA ALA 11 4.829 4.266 2.653 87 HB1 ALA 11 3HB ALA 11 5.912 3.311 -0.020 88 HB2 ALA 11 1HB ALA 11 4.535 4.412 0.210 89 HB3 ALA 11 2HB ALA 11 6.169 4.916 0.703 90 H LYS 12 H LYS 12 5.674 1.058 1.410 91 HA LYS 12 HA LYS 12 2.970 0.245 0.827 92 HB2 LYS 12 2HB LYS 12 5.453 -1.338 1.502 93 HB3 LYS 12 3HB LYS 12 3.915 -2.049 0.957 94 HG2 LYS 12 2HG LYS 12 4.136 -1.191 -1.209 95 HG3 LYS 12 3HG LYS 12 5.315 0.042 -0.702 96 HD2 LYS 12 2HD LYS 12 7.012 -1.657 -0.346 97 HD3 LYS 12 3HD LYS 12 5.838 -2.948 -0.697 98 HE2 LYS 12 2HE LYS 12 5.560 -1.999 -2.987 99 HE3 LYS 12 3HE LYS 12 6.848 -0.830 -2.619 100 HZ1 LYS 12 3HZ LYS 12 7.150 -3.764 -2.634 101 HZ2 LYS 12 1HZ LYS 12 7.693 -2.738 -3.806 102 HZ3 LYS 12 2HZ LYS 12 8.345 -2.680 -2.292 103 H GLU 13 H GLU 13 5.036 -0.184 3.697 104 HA GLU 13 HA GLU 13 3.038 -1.737 5.122 105 HB2 GLU 13 2HB GLU 13 5.498 -0.230 6.013 106 HB3 GLU 13 3HB GLU 13 4.480 -1.208 7.096 107 HG2 GLU 13 2HG GLU 13 5.059 -3.267 5.751 108 HG3 GLU 13 3HG GLU 13 5.929 -2.163 4.662 109 H LYS 14 H LYS 14 3.946 1.695 5.093 110 HA LYS 14 HA LYS 14 2.400 2.332 7.456 111 HB2 LYS 14 2HB LYS 14 3.618 3.969 5.239 112 HB3 LYS 14 3HB LYS 14 2.674 4.695 6.562 113 HG2 LYS 14 2HG LYS 14 4.269 3.805 8.203 114 HG3 LYS 14 3HG LYS 14 5.205 3.047 6.893 115 HD2 LYS 14 2HD LYS 14 6.234 5.161 7.618 116 HD3 LYS 14 3HD LYS 14 5.676 5.250 5.930 117 HE2 LYS 14 2HE LYS 14 3.579 6.341 6.749 118 HE3 LYS 14 3HE LYS 14 4.288 6.376 8.379 119 HZ1 LYS 14 3HZ LYS 14 5.407 7.703 5.995 120 HZ2 LYS 14 1HZ LYS 14 4.609 8.457 7.225 121 HZ3 LYS 14 2HZ LYS 14 6.066 7.736 7.507 122 H ALA 15 H ALA 15 1.689 2.303 4.004 123 HA ALA 15 HA ALA 15 -0.547 4.103 4.194 124 HB1 ALA 15 3HB ALA 15 0.139 2.047 2.066 125 HB2 ALA 15 1HB ALA 15 -1.055 3.355 1.901 126 HB3 ALA 15 2HB ALA 15 0.671 3.745 2.094 127 H ILE 16 H ILE 16 -0.247 0.576 4.315 128 HA ILE 16 HA ILE 16 -3.136 0.159 4.002 129 HB ILE 16 HB ILE 16 -0.982 -1.792 4.936 130 HG12 ILE 16 2HG1 ILE 16 -0.209 -1.122 2.888 131 HG13 ILE 16 3HG1 ILE 16 -1.138 -2.602 2.552 132 HG21 ILE 16 1HG2 ILE 16 -2.583 -3.503 4.149 133 HG22 ILE 16 2HG2 ILE 16 -3.303 -2.490 5.422 134 HG23 ILE 16 3HG2 ILE 16 -3.741 -2.222 3.719 135 HD11 ILE 16 3HD1 ILE 16 -2.105 0.245 2.110 136 HD12 ILE 16 1HD1 ILE 16 -1.560 -0.878 0.843 137 HD13 ILE 16 2HD1 ILE 16 -3.035 -1.235 1.774 138 H GLU 17 H GLU 17 -0.994 0.704 6.658 139 HA GLU 17 HA GLU 17 -2.399 -0.415 8.807 140 HB2 GLU 17 2HB GLU 17 -1.029 2.259 8.528 141 HB3 GLU 17 3HB GLU 17 -1.679 1.645 10.068 142 HG2 GLU 17 2HG GLU 17 0.577 0.325 8.440 143 HG3 GLU 17 3HG GLU 17 0.667 1.310 9.917 144 H GLU 18 H GLU 18 -3.218 2.472 6.934 145 HA GLU 18 HA GLU 18 -5.495 3.227 8.533 146 HB2 GLU 18 2HB GLU 18 -4.850 3.630 5.609 147 HB3 GLU 18 3HB GLU 18 -6.239 4.363 6.448 148 HG2 GLU 18 2HG GLU 18 -4.668 5.662 7.916 149 HG3 GLU 18 3HG GLU 18 -3.359 4.727 7.158 150 H LEU 19 H LEU 19 -5.108 1.029 5.776 151 HA LEU 19 HA LEU 19 -7.909 0.436 5.493 152 HB2 LEU 19 2HB LEU 19 -5.350 -0.573 4.684 153 HB3 LEU 19 3HB LEU 19 -6.578 -1.859 4.630 154 HG LEU 19 HG LEU 19 -7.866 -0.704 3.001 155 HD11 LEU 19 1HD1 LEU 19 -7.296 1.617 2.237 156 HD12 LEU 19 2HD1 LEU 19 -7.657 1.580 3.979 157 HD13 LEU 19 3HD1 LEU 19 -5.969 1.664 3.421 158 HD21 LEU 19 3HD2 LEU 19 -5.927 -1.838 2.089 159 HD22 LEU 19 1HD2 LEU 19 -6.281 -0.378 1.134 160 HD23 LEU 19 2HD2 LEU 19 -4.935 -0.375 2.301 161 H LYS 20 H LYS 20 -5.342 -1.009 7.464 162 HA LYS 20 HA LYS 20 -6.912 -3.124 8.583 163 HB2 LYS 20 2HB LYS 20 -4.682 -1.490 9.805 164 HB3 LYS 20 3HB LYS 20 -5.334 -3.010 10.462 165 HG2 LYS 20 2HG LYS 20 -4.620 -4.170 8.376 166 HG3 LYS 20 3HG LYS 20 -3.879 -2.650 7.820 167 HD2 LYS 20 2HD LYS 20 -2.458 -2.653 9.875 168 HD3 LYS 20 3HD LYS 20 -3.134 -4.245 10.294 169 HE2 LYS 20 2HE LYS 20 -2.235 -5.216 8.267 170 HE3 LYS 20 3HE LYS 20 -1.672 -3.623 7.712 171 HZ1 LYS 20 3HZ LYS 20 -0.697 -5.047 10.104 172 HZ2 LYS 20 1HZ LYS 20 0.112 -4.911 8.673 173 HZ3 LYS 20 2HZ LYS 20 -0.175 -3.569 9.590 174 H LYS 21 H LYS 21 -6.544 0.279 9.535 175 HA LYS 21 HA LYS 21 -8.373 0.076 11.779 176 HB2 LYS 21 2HB LYS 21 -7.433 2.389 10.083 177 HB3 LYS 21 3HB LYS 21 -8.517 2.561 11.484 178 HG2 LYS 21 2HG LYS 21 -6.792 1.678 12.967 179 HG3 LYS 21 3HG LYS 21 -5.712 1.402 11.580 180 HD2 LYS 21 2HD LYS 21 -5.727 3.836 11.112 181 HD3 LYS 21 3HD LYS 21 -6.750 4.087 12.546 182 HE2 LYS 21 2HE LYS 21 -5.001 3.191 13.988 183 HE3 LYS 21 3HE LYS 21 -3.983 2.845 12.571 184 HZ1 LYS 21 3HZ LYS 21 -4.848 5.526 13.445 185 HZ2 LYS 21 1HZ LYS 21 -3.339 4.892 13.648 186 HZ3 LYS 21 2HZ LYS 21 -3.905 5.205 12.130 187 H ALA 22 H ALA 22 -8.775 0.348 8.341 188 HA ALA 22 HA ALA 22 -11.505 1.411 8.587 189 HB1 ALA 22 3HB ALA 22 -9.933 0.475 6.162 190 HB2 ALA 22 1HB ALA 22 -11.512 1.293 6.125 191 HB3 ALA 22 2HB ALA 22 -10.079 2.154 6.734 192 H GLY 23 H GLY 23 -10.090 -1.600 8.879 193 HA2 GLY 23 2HA GLY 23 -11.301 -3.547 9.451 194 HA3 GLY 23 3HA GLY 23 -12.759 -2.852 8.705 195 H ILE 24 H ILE 24 -9.840 -2.625 6.886 196 HA ILE 24 HA ILE 24 -10.879 -4.614 4.927 197 HB ILE 24 HB ILE 24 -8.481 -2.731 4.769 198 HG12 ILE 24 2HG1 ILE 24 -10.538 -1.503 4.966 199 HG13 ILE 24 3HG1 ILE 24 -9.810 -1.339 3.351 200 HG21 ILE 24 1HG2 ILE 24 -8.572 -3.238 2.352 201 HG22 ILE 24 2HG2 ILE 24 -8.304 -4.715 3.305 202 HG23 ILE 24 3HG2 ILE 24 -9.917 -4.367 2.639 203 HD11 ILE 24 3HD1 ILE 24 -12.159 -3.127 4.070 204 HD12 ILE 24 1HD1 ILE 24 -12.257 -1.578 3.203 205 HD13 ILE 24 2HD1 ILE 24 -11.430 -2.965 2.455 206 H THR 25 H THR 25 -10.167 -6.531 4.565 207 HA THR 25 HA THR 25 -7.604 -7.335 5.900 208 HB THR 25 HB THR 25 -8.622 -9.519 6.422 209 HG1 THR 25 HG1 THR 25 -10.925 -9.714 6.157 210 HG21 THR 25 3HG2 THR 25 -10.266 -7.181 7.469 211 HG22 THR 25 1HG2 THR 25 -10.144 -8.787 8.224 212 HG23 THR 25 2HG2 THR 25 -8.711 -7.736 8.130 213 H SER 26 H SER 26 -9.176 -6.932 3.039 214 HA SER 26 HA SER 26 -8.761 -9.331 1.533 215 HB2 SER 26 2HB SER 26 -10.118 -7.575 0.794 216 HB3 SER 26 3HB SER 26 -8.698 -6.519 0.617 217 HG SER 26 HG SER 26 -9.162 -8.969 -0.736 218 H ASP 27 H ASP 27 -6.828 -10.387 1.648 219 HA ASP 27 HA ASP 27 -4.258 -9.035 1.664 220 HB2 ASP 27 2HB ASP 27 -5.005 -11.968 1.103 221 HB3 ASP 27 3HB ASP 27 -3.403 -11.191 1.077 222 H TYR 28 H TYR 28 -6.456 -10.080 -0.827 223 HA TYR 28 HA TYR 28 -4.678 -10.261 -3.030 224 HB2 TYR 28 2HB TYR 28 -7.005 -10.901 -3.172 225 HB3 TYR 28 3HB TYR 28 -7.511 -9.220 -2.876 226 HD1 TYR 28 HD1 TYR 28 -5.787 -11.440 -5.318 227 HD2 TYR 28 HD2 TYR 28 -7.664 -7.667 -4.668 228 HE1 TYR 28 HE1 TYR 28 -5.734 -11.003 -7.756 229 HE2 TYR 28 HE2 TYR 28 -7.619 -7.214 -7.097 230 HH TYR 28 HH TYR 28 -7.029 -7.989 -9.156 231 H TYR 29 H TYR 29 -6.511 -7.384 -1.943 232 HA TYR 29 HA TYR 29 -5.174 -5.669 -3.872 233 HB2 TYR 29 2HB TYR 29 -6.845 -5.091 -1.420 234 HB3 TYR 29 3HB TYR 29 -6.231 -3.847 -2.536 235 HD1 TYR 29 HD2 TYR 29 -6.833 -4.290 -5.089 236 HD2 TYR 29 HD1 TYR 29 -8.994 -5.905 -1.787 237 HE1 TYR 29 HE2 TYR 29 -8.801 -4.611 -6.549 238 HE2 TYR 29 HE1 TYR 29 -10.977 -6.233 -3.236 239 HH TYR 29 HH TYR 29 -10.956 -5.335 -6.688 240 H PHE 30 H PHE 30 -4.589 -6.553 -0.522 241 HA PHE 30 HA PHE 30 -2.523 -4.626 0.003 242 HB2 PHE 30 2HB PHE 30 -2.959 -7.456 1.049 243 HB3 PHE 30 3HB PHE 30 -1.736 -6.329 1.678 244 HD1 PHE 30 HD2 PHE 30 -4.644 -4.591 0.659 245 HD2 PHE 30 HD1 PHE 30 -3.010 -6.960 3.817 246 HE1 PHE 30 HE2 PHE 30 -6.313 -3.653 2.223 247 HE2 PHE 30 HE1 PHE 30 -4.679 -6.025 5.383 248 HZ PHE 30 HZ PHE 30 -6.330 -4.372 4.586 249 H ASP 31 H ASP 31 -2.580 -7.578 -1.873 250 HA ASP 31 HA ASP 31 0.301 -7.814 -2.132 251 HB2 ASP 31 2HB ASP 31 -1.525 -9.653 -2.670 252 HB3 ASP 31 3HB ASP 31 -1.748 -8.601 -4.090 253 H LEU 32 H LEU 32 -2.172 -5.950 -3.783 254 HA LEU 32 HA LEU 32 -0.714 -5.561 -6.228 255 HB2 LEU 32 2HB LEU 32 -2.984 -4.474 -4.824 256 HB3 LEU 32 3HB LEU 32 -2.382 -3.357 -6.071 257 HG LEU 32 HG LEU 32 -2.631 -5.194 -7.754 258 HD11 LEU 32 1HD1 LEU 32 -4.061 -7.158 -7.126 259 HD12 LEU 32 2HD1 LEU 32 -2.567 -7.111 -6.160 260 HD13 LEU 32 3HD1 LEU 32 -4.106 -6.569 -5.448 261 HD21 LEU 32 3HD2 LEU 32 -4.325 -3.472 -7.545 262 HD22 LEU 32 1HD2 LEU 32 -5.090 -5.032 -7.931 263 HD23 LEU 32 2HD2 LEU 32 -5.150 -4.397 -6.268 264 H ILE 33 H ILE 33 -0.762 -3.804 -3.171 265 HA ILE 33 HA ILE 33 0.885 -1.597 -4.149 266 HB ILE 33 HB ILE 33 1.188 -1.071 -1.752 267 HG12 ILE 33 2HG1 ILE 33 -0.543 -3.280 -0.861 268 HG13 ILE 33 3HG1 ILE 33 1.116 -3.707 -1.339 269 HG21 ILE 33 1HG2 ILE 33 -1.185 -0.758 -1.134 270 HG22 ILE 33 2HG2 ILE 33 -0.912 -0.362 -2.846 271 HG23 ILE 33 3HG2 ILE 33 -1.667 -1.910 -2.401 272 HD11 ILE 33 3HD1 ILE 33 0.343 -1.633 0.743 273 HD12 ILE 33 1HD1 ILE 33 0.973 -3.261 1.080 274 HD13 ILE 33 2HD1 ILE 33 2.003 -2.059 0.265 275 H ASN 34 H ASN 34 1.546 -4.824 -3.105 276 HA ASN 34 HA ASN 34 4.425 -4.351 -2.826 277 HB2 ASN 34 2HB ASN 34 2.982 -7.090 -3.158 278 HB3 ASN 34 3HB ASN 34 4.667 -6.531 -3.023 279 HD21 ASN 34 1HD2 ASN 34 2.840 -8.200 -1.302 280 HD22 ASN 34 2HD2 ASN 34 2.974 -7.496 0.275 281 H LYS 35 H LYS 35 2.252 -5.458 -5.414 282 HA LYS 35 HA LYS 35 4.317 -5.609 -7.428 283 HB2 LYS 35 2HB LYS 35 1.351 -5.066 -7.545 284 HB3 LYS 35 3HB LYS 35 2.389 -5.177 -8.986 285 HG2 LYS 35 2HG LYS 35 2.974 -7.491 -8.393 286 HG3 LYS 35 3HG LYS 35 1.946 -7.382 -6.945 287 HD2 LYS 35 2HD LYS 35 -0.027 -7.012 -8.358 288 HD3 LYS 35 3HD LYS 35 0.994 -7.088 -9.814 289 HE2 LYS 35 2HE LYS 35 1.616 -9.401 -9.259 290 HE3 LYS 35 3HE LYS 35 0.595 -9.326 -7.804 291 HZ1 LYS 35 3HZ LYS 35 -0.360 -9.070 -10.584 292 HZ2 LYS 35 1HZ LYS 35 -0.535 -10.404 -9.629 293 HZ3 LYS 35 2HZ LYS 35 -1.308 -9.000 -9.235 294 H ALA 36 H ALA 36 2.855 -2.975 -5.773 295 HA ALA 36 HA ALA 36 3.200 -1.025 -7.893 296 HB1 ALA 36 3HB ALA 36 2.835 -0.655 -4.900 297 HB2 ALA 36 1HB ALA 36 2.717 0.626 -6.129 298 HB3 ALA 36 2HB ALA 36 1.538 -0.706 -6.117 299 H LYS 37 H LYS 37 5.412 -1.712 -8.441 300 HA LYS 37 HA LYS 37 7.621 -1.282 -6.669 301 HB2 LYS 37 2HB LYS 37 7.580 -2.541 -8.863 302 HB3 LYS 37 3HB LYS 37 7.634 -0.954 -9.666 303 HG2 LYS 37 2HG LYS 37 9.789 -0.465 -8.684 304 HG3 LYS 37 3HG LYS 37 9.720 -1.944 -7.697 305 HD2 LYS 37 2HD LYS 37 9.675 -3.290 -9.797 306 HD3 LYS 37 3HD LYS 37 9.880 -1.785 -10.725 307 HE2 LYS 37 2HE LYS 37 12.015 -1.364 -9.621 308 HE3 LYS 37 3HE LYS 37 11.805 -2.820 -8.621 309 HZ1 LYS 37 3HZ LYS 37 12.070 -2.782 -11.559 310 HZ2 LYS 37 1HZ LYS 37 13.249 -3.229 -10.496 311 HZ3 LYS 37 2HZ LYS 37 11.875 -4.132 -10.632 312 H THR 38 H THR 38 5.473 0.953 -7.968 313 HA THR 38 HA THR 38 7.431 3.141 -7.348 314 HB THR 38 HB THR 38 5.978 4.659 -8.550 315 HG1 THR 38 HG1 THR 38 4.141 3.353 -9.713 316 HG21 THR 38 3HG2 THR 38 6.328 2.086 -10.138 317 HG22 THR 38 1HG2 THR 38 6.066 3.705 -10.827 318 HG23 THR 38 2HG2 THR 38 7.560 3.351 -9.926 319 H VAL 39 H VAL 39 6.862 4.816 -5.988 320 HA VAL 39 HA VAL 39 5.173 4.111 -3.722 321 HB VAL 39 HB VAL 39 6.390 6.764 -4.599 322 HG11 VAL 39 1HG1 VAL 39 5.880 7.517 -2.300 323 HG12 VAL 39 2HG1 VAL 39 4.392 7.103 -3.182 324 HG13 VAL 39 3HG1 VAL 39 5.055 5.974 -1.976 325 HG21 VAL 39 3HG2 VAL 39 8.051 5.087 -4.053 326 HG22 VAL 39 1HG2 VAL 39 7.995 6.352 -2.804 327 HG23 VAL 39 2HG2 VAL 39 7.246 4.767 -2.499 328 H GLU 40 H GLU 40 4.676 6.081 -6.611 329 HA GLU 40 HA GLU 40 2.152 7.176 -5.769 330 HB2 GLU 40 2HB GLU 40 3.344 6.645 -8.490 331 HB3 GLU 40 3HB GLU 40 1.791 7.476 -8.231 332 HG2 GLU 40 2HG GLU 40 3.005 9.311 -6.986 333 HG3 GLU 40 3HG GLU 40 4.467 8.321 -7.200 334 H GLY 41 H GLY 41 3.041 4.161 -7.375 335 HA2 GLY 41 2HA GLY 41 0.431 3.291 -8.072 336 HA3 GLY 41 3HA GLY 41 1.812 2.232 -7.703 337 H VAL 42 H VAL 42 2.309 2.857 -5.060 338 HA VAL 42 HA VAL 42 0.432 1.121 -3.742 339 HB VAL 42 HB VAL 42 2.457 3.093 -2.607 340 HG11 VAL 42 1HG1 VAL 42 2.210 1.817 -0.504 341 HG12 VAL 42 2HG1 VAL 42 0.674 2.583 -0.973 342 HG13 VAL 42 3HG1 VAL 42 0.920 0.842 -1.247 343 HG21 VAL 42 3HG2 VAL 42 3.471 1.351 -3.951 344 HG22 VAL 42 1HG2 VAL 42 3.826 1.105 -2.226 345 HG23 VAL 42 2HG2 VAL 42 2.595 0.104 -3.031 346 H ASN 43 H ASN 43 0.686 4.657 -3.784 347 HA ASN 43 HA ASN 43 -1.566 4.992 -1.964 348 HB2 ASN 43 2HB ASN 43 0.315 6.880 -2.489 349 HB3 ASN 43 3HB ASN 43 -0.636 6.764 -3.990 350 HD21 ASN 43 1HD2 ASN 43 -1.754 8.548 -4.157 351 HD22 ASN 43 2HD2 ASN 43 -2.747 9.249 -2.923 352 H ALA 44 H ALA 44 -1.166 5.039 -5.492 353 HA ALA 44 HA ALA 44 -3.849 5.894 -6.037 354 HB1 ALA 44 3HB ALA 44 -1.920 4.302 -7.761 355 HB2 ALA 44 1HB ALA 44 -3.399 5.110 -8.330 356 HB3 ALA 44 2HB ALA 44 -2.047 6.076 -7.692 357 H LEU 45 H LEU 45 -2.354 2.661 -5.903 358 HA LEU 45 HA LEU 45 -4.733 1.203 -6.552 359 HB2 LEU 45 2HB LEU 45 -2.423 0.566 -4.836 360 HB3 LEU 45 3HB LEU 45 -3.510 -0.723 -5.401 361 HG LEU 45 HG LEU 45 -2.075 1.039 -7.382 362 HD11 LEU 45 1HD1 LEU 45 -0.212 -0.639 -7.454 363 HD12 LEU 45 2HD1 LEU 45 -0.311 0.149 -5.862 364 HD13 LEU 45 3HD1 LEU 45 -0.952 -1.496 -6.082 365 HD21 LEU 45 3HD2 LEU 45 -3.850 -0.401 -8.189 366 HD22 LEU 45 1HD2 LEU 45 -2.281 -0.965 -8.811 367 HD23 LEU 45 2HD2 LEU 45 -3.066 -1.824 -7.463 368 H LYS 46 H LYS 46 -3.314 1.987 -3.367 369 HA LYS 46 HA LYS 46 -5.400 0.748 -1.849 370 HB2 LYS 46 2HB LYS 46 -3.062 1.616 -1.153 371 HB3 LYS 46 3HB LYS 46 -3.889 3.177 -0.939 372 HG2 LYS 46 2HG LYS 46 -5.555 1.798 0.528 373 HG3 LYS 46 3HG LYS 46 -4.235 0.606 0.595 374 HD2 LYS 46 2HD LYS 46 -3.967 1.986 2.513 375 HD3 LYS 46 3HD LYS 46 -2.724 2.503 1.349 376 HE2 LYS 46 2HE LYS 46 -4.179 4.357 0.629 377 HE3 LYS 46 3HE LYS 46 -5.405 3.847 1.813 378 HZ1 LYS 46 3HZ LYS 46 -2.674 4.759 2.458 379 HZ2 LYS 46 1HZ LYS 46 -4.052 5.645 2.652 380 HZ3 LYS 46 2HZ LYS 46 -3.811 4.286 3.556 381 H ASP 47 H ASP 47 -5.166 3.904 -3.362 382 HA ASP 47 HA ASP 47 -6.982 5.379 -1.820 383 HB2 ASP 47 2HB ASP 47 -5.598 6.130 -3.961 384 HB3 ASP 47 3HB ASP 47 -6.996 5.367 -4.758 385 H GLU 48 H GLU 48 -7.700 3.040 -4.388 386 HA GLU 48 HA GLU 48 -10.550 3.478 -4.373 387 HB2 GLU 48 2HB GLU 48 -8.848 1.107 -5.145 388 HB3 GLU 48 3HB GLU 48 -10.614 1.179 -5.363 389 HG2 GLU 48 2HG GLU 48 -10.318 3.128 -6.944 390 HG3 GLU 48 3HG GLU 48 -8.588 3.036 -6.540 391 H ILE 49 H ILE 49 -8.420 1.396 -2.474 392 HA ILE 49 HA ILE 49 -10.667 -0.009 -1.199 393 HB ILE 49 HB ILE 49 -7.716 0.133 -0.427 394 HG12 ILE 49 2HG1 ILE 49 -8.017 -0.737 -2.654 395 HG13 ILE 49 3HG1 ILE 49 -7.448 -1.976 -1.511 396 HG21 ILE 49 1HG2 ILE 49 -8.213 -1.924 0.851 397 HG22 ILE 49 2HG2 ILE 49 -9.199 -0.559 1.425 398 HG23 ILE 49 3HG2 ILE 49 -9.925 -1.803 0.381 399 HD11 ILE 49 3HD1 ILE 49 -10.300 -1.653 -2.510 400 HD12 ILE 49 1HD1 ILE 49 -9.144 -2.893 -3.046 401 HD13 ILE 49 2HD1 ILE 49 -9.732 -2.891 -1.366 402 H LEU 50 H LEU 50 -8.474 2.619 -0.293 403 HA LEU 50 HA LEU 50 -9.488 2.874 2.387 404 HB2 LEU 50 2HB LEU 50 -7.441 3.695 1.655 405 HB3 LEU 50 3HB LEU 50 -8.117 4.928 0.565 406 HG LEU 50 HG LEU 50 -9.246 5.939 2.603 407 HD11 LEU 50 1HD1 LEU 50 -8.221 5.373 4.822 408 HD12 LEU 50 2HD1 LEU 50 -9.016 3.956 4.098 409 HD13 LEU 50 3HD1 LEU 50 -7.244 4.113 4.033 410 HD21 LEU 50 3HD2 LEU 50 -7.291 6.948 1.584 411 HD22 LEU 50 1HD2 LEU 50 -7.209 7.118 3.353 412 HD23 LEU 50 2HD2 LEU 50 -6.216 5.891 2.529 413 H LYS 51 H LYS 51 -10.545 4.176 -0.709 414 HA LYS 51 HA LYS 51 -12.692 5.709 0.692 415 HB2 LYS 51 2HB LYS 51 -11.764 5.682 -2.184 416 HB3 LYS 51 3HB LYS 51 -13.120 6.647 -1.553 417 HG2 LYS 51 2HG LYS 51 -11.566 7.860 -0.074 418 HG3 LYS 51 3HG LYS 51 -10.211 6.900 -0.715 419 HD2 LYS 51 2HD LYS 51 -10.627 7.796 -2.964 420 HD3 LYS 51 3HD LYS 51 -11.999 8.741 -2.339 421 HE2 LYS 51 2HE LYS 51 -10.498 9.998 -0.879 422 HE3 LYS 51 3HE LYS 51 -9.117 9.025 -1.435 423 HZ1 LYS 51 3HZ LYS 51 -10.749 10.810 -3.125 424 HZ2 LYS 51 1HZ LYS 51 -9.231 11.139 -2.569 425 HZ3 LYS 51 2HZ LYS 51 -9.468 9.908 -3.642 426 H ALA 52 H ALA 52 -12.418 2.670 0.114 427 HA ALA 52 HA ALA 52 -14.540 2.019 -1.697 428 HB1 ALA 52 3HB ALA 52 -13.439 0.450 0.660 429 HB2 ALA 52 1HB ALA 52 -14.475 -0.203 -0.631 430 HB3 ALA 52 2HB ALA 52 -12.840 0.387 -1.014 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 18.343 -3.894 -3.354 2 H2 GLY 1 2H GLY 1 17.047 -3.323 -3.848 3 H3 GLY 1 3H GLY 1 18.313 -2.529 -3.975 4 HA2 GLY 1 2HA GLY 1 16.506 -2.402 -1.788 5 HA3 GLY 1 3HA GLY 1 18.043 -3.079 -1.203 6 H THR 2 H THR 2 16.833 -0.397 -3.253 7 HA THR 2 HA THR 2 19.113 1.300 -2.426 8 HB THR 2 HB THR 2 18.253 2.928 -3.992 9 HG1 THR 2 HG1 THR 2 16.214 2.357 -5.111 10 HG21 THR 2 3HG2 THR 2 17.914 0.129 -5.139 11 HG22 THR 2 1HG2 THR 2 18.187 1.613 -6.082 12 HG23 THR 2 2HG2 THR 2 19.452 1.008 -4.984 13 H ILE 3 H ILE 3 18.634 3.594 -1.833 14 HA ILE 3 HA ILE 3 17.131 3.678 0.629 15 HB ILE 3 HB ILE 3 18.210 5.886 -1.178 16 HG12 ILE 3 2HG1 ILE 3 19.187 4.926 1.496 17 HG13 ILE 3 3HG1 ILE 3 19.811 4.350 -0.068 18 HG21 ILE 3 1HG2 ILE 3 17.803 7.404 0.729 19 HG22 ILE 3 2HG2 ILE 3 16.281 6.705 0.133 20 HG23 ILE 3 3HG2 ILE 3 17.026 6.075 1.622 21 HD11 ILE 3 3HD1 ILE 3 19.885 7.220 0.927 22 HD12 ILE 3 1HD1 ILE 3 21.265 6.098 0.879 23 HD13 ILE 3 2HD1 ILE 3 20.508 6.643 -0.637 24 H ASP 4 H ASP 4 16.330 4.702 -2.663 25 HA ASP 4 HA ASP 4 13.758 5.802 -1.966 26 HB2 ASP 4 2HB ASP 4 14.799 4.662 -4.629 27 HB3 ASP 4 3HB ASP 4 13.208 5.365 -4.250 28 H GLU 5 H GLU 5 14.820 2.542 -2.870 29 HA GLU 5 HA GLU 5 12.147 1.415 -2.845 30 HB2 GLU 5 2HB GLU 5 14.901 0.212 -2.559 31 HB3 GLU 5 3HB GLU 5 13.399 -0.743 -2.591 32 HG2 GLU 5 2HG GLU 5 12.949 0.037 -4.934 33 HG3 GLU 5 3HG GLU 5 14.346 1.118 -4.729 34 H TRP 6 H TRP 6 14.589 2.012 -0.391 35 HA TRP 6 HA TRP 6 13.288 0.492 1.700 36 HB2 TRP 6 2HB TRP 6 15.228 2.841 1.760 37 HB3 TRP 6 3HB TRP 6 14.658 1.988 3.214 38 HD1 TRP 6 HD1 TRP 6 14.807 -0.760 1.388 39 HE1 TRP 6 HE1 TRP 6 17.217 -1.983 1.322 40 HE3 TRP 6 HE3 TRP 6 17.672 3.184 2.828 41 HZ2 TRP 6 HZ2 TRP 6 19.823 -1.222 1.831 42 HZ3 TRP 6 HZ3 TRP 6 20.068 2.933 3.033 43 HH2 TRP 6 HH2 TRP 6 21.185 0.797 2.556 44 H LEU 7 H LEU 7 13.079 3.889 0.662 45 HA LEU 7 HA LEU 7 11.136 4.661 2.636 46 HB2 LEU 7 2HB LEU 7 11.644 5.553 -0.127 47 HB3 LEU 7 3HB LEU 7 10.642 6.535 0.967 48 HG LEU 7 HG LEU 7 13.551 5.854 1.509 49 HD11 LEU 7 1HD1 LEU 7 14.070 8.188 0.752 50 HD12 LEU 7 2HD1 LEU 7 13.382 7.217 -0.571 51 HD13 LEU 7 3HD1 LEU 7 12.366 8.399 0.287 52 HD21 LEU 7 3HD2 LEU 7 12.242 6.424 3.468 53 HD22 LEU 7 1HD2 LEU 7 13.399 7.728 3.111 54 HD23 LEU 7 2HD2 LEU 7 11.680 7.924 2.692 55 H LEU 8 H LEU 8 10.784 3.420 -0.684 56 HA LEU 8 HA LEU 8 7.909 3.450 -0.669 57 HB2 LEU 8 2HB LEU 8 8.884 3.340 -2.636 58 HB3 LEU 8 3HB LEU 8 10.026 2.013 -2.318 59 HG LEU 8 HG LEU 8 8.135 0.422 -2.231 60 HD11 LEU 8 1HD1 LEU 8 5.879 1.180 -3.024 61 HD12 LEU 8 2HD1 LEU 8 6.364 2.037 -1.542 62 HD13 LEU 8 3HD1 LEU 8 6.490 2.849 -3.121 63 HD21 LEU 8 3HD2 LEU 8 9.337 0.725 -4.315 64 HD22 LEU 8 1HD2 LEU 8 7.615 0.419 -4.647 65 HD23 LEU 8 2HD2 LEU 8 8.267 2.072 -4.771 66 H LYS 9 H LYS 9 10.275 0.962 0.251 67 HA LYS 9 HA LYS 9 8.457 -1.090 0.970 68 HB2 LYS 9 2HB LYS 9 10.920 -1.280 0.933 69 HB3 LYS 9 3HB LYS 9 10.992 -0.262 2.392 70 HG2 LYS 9 2HG LYS 9 9.887 -1.938 3.709 71 HG3 LYS 9 3HG LYS 9 9.517 -2.909 2.264 72 HD2 LYS 9 2HD LYS 9 12.278 -2.329 3.391 73 HD3 LYS 9 3HD LYS 9 11.402 -3.875 3.494 74 HE2 LYS 9 2HE LYS 9 11.457 -4.122 1.085 75 HE3 LYS 9 3HE LYS 9 12.195 -2.514 0.902 76 HZ1 LYS 9 3HZ LYS 9 13.438 -4.827 2.246 77 HZ2 LYS 9 1HZ LYS 9 13.831 -4.265 0.746 78 HZ3 LYS 9 2HZ LYS 9 14.122 -3.336 2.078 79 H GLU 10 H GLU 10 9.461 1.788 2.786 80 HA GLU 10 HA GLU 10 7.795 1.127 5.090 81 HB2 GLU 10 2HB GLU 10 9.111 3.673 4.142 82 HB3 GLU 10 3HB GLU 10 8.171 3.539 5.648 83 HG2 GLU 10 2HG GLU 10 9.846 1.856 6.518 84 HG3 GLU 10 3HG GLU 10 10.620 1.987 4.921 85 H ALA 11 H ALA 11 7.377 2.974 2.116 86 HA ALA 11 HA ALA 11 4.888 4.189 2.824 87 HB1 ALA 11 3HB ALA 11 5.930 3.349 0.098 88 HB2 ALA 11 1HB ALA 11 4.570 4.455 0.395 89 HB3 ALA 11 2HB ALA 11 6.216 4.915 0.892 90 H LYS 12 H LYS 12 5.676 1.037 1.409 91 HA LYS 12 HA LYS 12 2.962 0.273 0.830 92 HB2 LYS 12 2HB LYS 12 5.431 -1.359 1.433 93 HB3 LYS 12 3HB LYS 12 3.880 -2.035 0.879 94 HG2 LYS 12 2HG LYS 12 4.090 -1.100 -1.259 95 HG3 LYS 12 3HG LYS 12 5.298 0.091 -0.722 96 HD2 LYS 12 2HD LYS 12 6.956 -1.669 -0.429 97 HD3 LYS 12 3HD LYS 12 5.751 -2.909 -0.848 98 HE2 LYS 12 2HE LYS 12 5.503 -1.825 -3.086 99 HE3 LYS 12 3HE LYS 12 6.833 -0.727 -2.654 100 HZ1 LYS 12 3HZ LYS 12 7.024 -3.666 -2.828 101 HZ2 LYS 12 1HZ LYS 12 7.608 -2.600 -3.942 102 HZ3 LYS 12 2HZ LYS 12 8.259 -2.648 -2.427 103 H GLU 13 H GLU 13 5.031 -0.251 3.677 104 HA GLU 13 HA GLU 13 3.021 -1.807 5.083 105 HB2 GLU 13 2HB GLU 13 5.493 -0.332 5.993 106 HB3 GLU 13 3HB GLU 13 4.467 -1.318 7.062 107 HG2 GLU 13 2HG GLU 13 5.033 -3.364 5.703 108 HG3 GLU 13 3HG GLU 13 5.896 -2.256 4.610 109 H LYS 14 H LYS 14 3.954 1.618 5.092 110 HA LYS 14 HA LYS 14 2.414 2.230 7.471 111 HB2 LYS 14 2HB LYS 14 3.668 3.892 5.292 112 HB3 LYS 14 3HB LYS 14 2.729 4.606 6.624 113 HG2 LYS 14 2HG LYS 14 4.300 3.659 8.256 114 HG3 LYS 14 3HG LYS 14 5.231 2.912 6.937 115 HD2 LYS 14 2HD LYS 14 6.291 4.993 7.705 116 HD3 LYS 14 3HD LYS 14 5.739 5.127 6.019 117 HE2 LYS 14 2HE LYS 14 3.658 6.234 6.858 118 HE3 LYS 14 3HE LYS 14 4.364 6.223 8.489 119 HZ1 LYS 14 3HZ LYS 14 5.509 7.583 6.135 120 HZ2 LYS 14 1HZ LYS 14 4.721 8.323 7.382 121 HZ3 LYS 14 2HZ LYS 14 6.165 7.573 7.650 122 H ALA 15 H ALA 15 1.725 2.297 4.013 123 HA ALA 15 HA ALA 15 -0.502 4.102 4.231 124 HB1 ALA 15 3HB ALA 15 0.178 2.083 2.066 125 HB2 ALA 15 1HB ALA 15 -1.007 3.401 1.923 126 HB3 ALA 15 2HB ALA 15 0.720 3.777 2.129 127 H ILE 16 H ILE 16 -0.222 0.573 4.296 128 HA ILE 16 HA ILE 16 -3.109 0.169 3.967 129 HB ILE 16 HB ILE 16 -0.967 -1.795 4.903 130 HG12 ILE 16 2HG1 ILE 16 -0.181 -1.115 2.863 131 HG13 ILE 16 3HG1 ILE 16 -1.112 -2.591 2.514 132 HG21 ILE 16 1HG2 ILE 16 -2.569 -3.495 4.097 133 HG22 ILE 16 2HG2 ILE 16 -3.294 -2.488 5.372 134 HG23 ILE 16 3HG2 ILE 16 -3.721 -2.209 3.668 135 HD11 ILE 16 3HD1 ILE 16 -2.070 0.261 2.082 136 HD12 ILE 16 1HD1 ILE 16 -1.522 -0.856 0.811 137 HD13 ILE 16 2HD1 ILE 16 -3.002 -1.214 1.733 138 H GLU 17 H GLU 17 -0.978 0.679 6.642 139 HA GLU 17 HA GLU 17 -2.416 -0.446 8.770 140 HB2 GLU 17 2HB GLU 17 -1.002 2.209 8.534 141 HB3 GLU 17 3HB GLU 17 -1.668 1.583 10.062 142 HG2 GLU 17 2HG GLU 17 0.577 0.255 8.423 143 HG3 GLU 17 3HG GLU 17 0.673 1.216 9.916 144 H GLU 18 H GLU 18 -3.178 2.464 6.912 145 HA GLU 18 HA GLU 18 -5.452 3.249 8.501 146 HB2 GLU 18 2HB GLU 18 -4.791 3.646 5.580 147 HB3 GLU 18 3HB GLU 18 -6.170 4.400 6.418 148 HG2 GLU 18 2HG GLU 18 -4.580 5.669 7.892 149 HG3 GLU 18 3HG GLU 18 -3.285 4.716 7.132 150 H LEU 19 H LEU 19 -5.082 1.044 5.748 151 HA LEU 19 HA LEU 19 -7.893 0.497 5.454 152 HB2 LEU 19 2HB LEU 19 -5.345 -0.558 4.651 153 HB3 LEU 19 3HB LEU 19 -6.608 -1.809 4.571 154 HG LEU 19 HG LEU 19 -7.866 -0.567 2.963 155 HD11 LEU 19 1HD1 LEU 19 -7.153 1.712 2.194 156 HD12 LEU 19 2HD1 LEU 19 -7.506 1.700 3.938 157 HD13 LEU 19 3HD1 LEU 19 -5.819 1.675 3.371 158 HD21 LEU 19 3HD2 LEU 19 -6.008 -1.824 2.042 159 HD22 LEU 19 1HD2 LEU 19 -6.272 -0.344 1.088 160 HD23 LEU 19 2HD2 LEU 19 -4.924 -0.427 2.247 161 H LYS 20 H LYS 20 -5.350 -0.986 7.426 162 HA LYS 20 HA LYS 20 -6.956 -3.082 8.536 163 HB2 LYS 20 2HB LYS 20 -4.697 -1.487 9.759 164 HB3 LYS 20 3HB LYS 20 -5.378 -2.994 10.420 165 HG2 LYS 20 2HG LYS 20 -4.687 -4.170 8.335 166 HG3 LYS 20 3HG LYS 20 -3.917 -2.666 7.777 167 HD2 LYS 20 2HD LYS 20 -2.495 -2.693 9.832 168 HD3 LYS 20 3HD LYS 20 -3.203 -4.270 10.255 169 HE2 LYS 20 2HE LYS 20 -2.322 -5.265 8.232 170 HE3 LYS 20 3HE LYS 20 -1.730 -3.685 7.670 171 HZ1 LYS 20 3HZ LYS 20 -0.780 -5.118 10.066 172 HZ2 LYS 20 1HZ LYS 20 0.031 -5.002 8.635 173 HZ3 LYS 20 2HZ LYS 20 -0.231 -3.652 9.547 174 H LYS 21 H LYS 21 -6.522 0.311 9.506 175 HA LYS 21 HA LYS 21 -8.370 0.142 11.736 176 HB2 LYS 21 2HB LYS 21 -7.388 2.437 10.038 177 HB3 LYS 21 3HB LYS 21 -8.475 2.628 11.435 178 HG2 LYS 21 2HG LYS 21 -6.770 1.727 12.927 179 HG3 LYS 21 3HG LYS 21 -5.689 1.424 11.545 180 HD2 LYS 21 2HD LYS 21 -5.662 3.856 11.063 181 HD3 LYS 21 3HD LYS 21 -6.684 4.133 12.493 182 HE2 LYS 21 2HE LYS 21 -4.953 3.217 13.945 183 HE3 LYS 21 3HE LYS 21 -3.939 2.840 12.532 184 HZ1 LYS 21 3HZ LYS 21 -4.756 5.544 13.385 185 HZ2 LYS 21 1HZ LYS 21 -3.259 4.883 13.597 186 HZ3 LYS 21 2HZ LYS 21 -3.815 5.195 12.075 187 H ALA 22 H ALA 22 -8.751 0.409 8.295 188 HA ALA 22 HA ALA 22 -11.468 1.509 8.522 189 HB1 ALA 22 3HB ALA 22 -9.900 0.534 6.111 190 HB2 ALA 22 1HB ALA 22 -11.467 1.374 6.062 191 HB3 ALA 22 2HB ALA 22 -10.024 2.219 6.670 192 H GLY 23 H GLY 23 -10.088 -1.522 8.823 193 HA2 GLY 23 2HA GLY 23 -11.333 -3.443 9.421 194 HA3 GLY 23 3HA GLY 23 -12.780 -2.733 8.667 195 H ILE 24 H ILE 24 -9.853 -2.574 6.852 196 HA ILE 24 HA ILE 24 -10.935 -4.542 4.897 197 HB ILE 24 HB ILE 24 -8.486 -2.724 4.751 198 HG12 ILE 24 2HG1 ILE 24 -10.497 -1.432 4.914 199 HG13 ILE 24 3HG1 ILE 24 -9.776 -1.323 3.291 200 HG21 ILE 24 1HG2 ILE 24 -8.564 -3.242 2.335 201 HG22 ILE 24 2HG2 ILE 24 -8.340 -4.720 3.301 202 HG23 ILE 24 3HG2 ILE 24 -9.937 -4.339 2.615 203 HD11 ILE 24 3HD1 ILE 24 -12.170 -3.028 4.064 204 HD12 ILE 24 1HD1 ILE 24 -12.231 -1.494 3.166 205 HD13 ILE 24 2HD1 ILE 24 -11.449 -2.920 2.441 206 H THR 25 H THR 25 -10.342 -6.505 4.645 207 HA THR 25 HA THR 25 -7.779 -7.370 5.943 208 HB THR 25 HB THR 25 -8.896 -9.499 6.548 209 HG1 THR 25 HG1 THR 25 -11.217 -9.545 6.396 210 HG21 THR 25 3HG2 THR 25 -10.330 -7.034 7.614 211 HG22 THR 25 1HG2 THR 25 -10.277 -8.627 8.402 212 HG23 THR 25 2HG2 THR 25 -8.783 -7.677 8.214 213 H SER 26 H SER 26 -8.886 -6.749 3.097 214 HA SER 26 HA SER 26 -8.763 -9.300 1.644 215 HB2 SER 26 2HB SER 26 -10.105 -7.620 0.829 216 HB3 SER 26 3HB SER 26 -8.737 -6.487 0.737 217 HG SER 26 HG SER 26 -9.031 -8.916 -0.700 218 H ASP 27 H ASP 27 -6.831 -10.374 1.833 219 HA ASP 27 HA ASP 27 -4.242 -9.084 1.715 220 HB2 ASP 27 2HB ASP 27 -5.065 -12.009 1.227 221 HB3 ASP 27 3HB ASP 27 -3.449 -11.265 1.143 222 H TYR 28 H TYR 28 -6.531 -10.140 -0.693 223 HA TYR 28 HA TYR 28 -4.824 -10.337 -2.952 224 HB2 TYR 28 2HB TYR 28 -7.157 -10.969 -3.017 225 HB3 TYR 28 3HB TYR 28 -7.647 -9.285 -2.710 226 HD1 TYR 28 HD1 TYR 28 -6.003 -11.514 -5.199 227 HD2 TYR 28 HD2 TYR 28 -7.860 -7.740 -4.500 228 HE1 TYR 28 HE1 TYR 28 -6.027 -11.084 -7.639 229 HE2 TYR 28 HE2 TYR 28 -7.893 -7.294 -6.931 230 HH TYR 28 HH TYR 28 -7.368 -8.073 -9.005 231 H TYR 29 H TYR 29 -6.607 -7.451 -1.811 232 HA TYR 29 HA TYR 29 -5.318 -5.746 -3.783 233 HB2 TYR 29 2HB TYR 29 -6.953 -5.178 -1.307 234 HB3 TYR 29 3HB TYR 29 -6.330 -3.918 -2.400 235 HD1 TYR 29 HD2 TYR 29 -6.914 -4.400 -4.983 236 HD2 TYR 29 HD1 TYR 29 -9.143 -5.866 -1.657 237 HE1 TYR 29 HE2 TYR 29 -8.892 -4.673 -6.441 238 HE2 TYR 29 HE1 TYR 29 -11.134 -6.146 -3.103 239 HH TYR 29 HH TYR 29 -11.073 -5.315 -6.572 240 H PHE 30 H PHE 30 -4.672 -6.602 -0.435 241 HA PHE 30 HA PHE 30 -2.594 -4.675 0.034 242 HB2 PHE 30 2HB PHE 30 -3.023 -7.491 1.121 243 HB3 PHE 30 3HB PHE 30 -1.783 -6.363 1.717 244 HD1 PHE 30 HD2 PHE 30 -4.677 -4.596 0.734 245 HD2 PHE 30 HD1 PHE 30 -3.046 -6.987 3.876 246 HE1 PHE 30 HE2 PHE 30 -6.314 -3.629 2.315 247 HE2 PHE 30 HE1 PHE 30 -4.683 -6.025 5.460 248 HZ PHE 30 HZ PHE 30 -6.317 -4.346 4.679 249 H ASP 31 H ASP 31 -2.684 -7.654 -1.798 250 HA ASP 31 HA ASP 31 0.192 -7.897 -2.104 251 HB2 ASP 31 2HB ASP 31 -1.644 -9.737 -2.592 252 HB3 ASP 31 3HB ASP 31 -1.890 -8.701 -4.019 253 H LEU 32 H LEU 32 -2.296 -6.025 -3.718 254 HA LEU 32 HA LEU 32 -0.922 -5.723 -6.219 255 HB2 LEU 32 2HB LEU 32 -3.134 -4.607 -4.775 256 HB3 LEU 32 3HB LEU 32 -2.542 -3.463 -6.001 257 HG LEU 32 HG LEU 32 -2.808 -5.299 -7.711 258 HD11 LEU 32 1HD1 LEU 32 -4.329 -7.198 -7.100 259 HD12 LEU 32 2HD1 LEU 32 -2.845 -7.216 -6.117 260 HD13 LEU 32 3HD1 LEU 32 -4.367 -6.607 -5.422 261 HD21 LEU 32 3HD2 LEU 32 -4.427 -3.504 -7.522 262 HD22 LEU 32 1HD2 LEU 32 -5.254 -5.029 -7.916 263 HD23 LEU 32 2HD2 LEU 32 -5.305 -4.391 -6.253 264 H ILE 33 H ILE 33 -0.807 -3.895 -3.208 265 HA ILE 33 HA ILE 33 0.775 -1.706 -4.308 266 HB ILE 33 HB ILE 33 1.237 -1.170 -1.925 267 HG12 ILE 33 2HG1 ILE 33 -0.499 -3.380 -0.997 268 HG13 ILE 33 3HG1 ILE 33 1.175 -3.768 -1.460 269 HG21 ILE 33 1HG2 ILE 33 -1.096 -0.790 -1.204 270 HG22 ILE 33 2HG2 ILE 33 -0.890 -0.410 -2.929 271 HG23 ILE 33 3HG2 ILE 33 -1.665 -1.936 -2.440 272 HD11 ILE 33 3HD1 ILE 33 0.335 -1.705 0.606 273 HD12 ILE 33 1HD1 ILE 33 1.002 -3.315 0.955 274 HD13 ILE 33 2HD1 ILE 33 2.008 -2.093 0.143 275 H ASN 34 H ASN 34 1.510 -4.920 -3.350 276 HA ASN 34 HA ASN 34 4.361 -4.416 -2.927 277 HB2 ASN 34 2HB ASN 34 2.973 -7.165 -3.376 278 HB3 ASN 34 3HB ASN 34 4.643 -6.591 -3.152 279 HD21 ASN 34 1HD2 ASN 34 2.672 -8.277 -1.558 280 HD22 ASN 34 2HD2 ASN 34 2.752 -7.609 0.039 281 H LYS 35 H LYS 35 2.335 -5.443 -5.654 282 HA LYS 35 HA LYS 35 4.503 -5.586 -7.556 283 HB2 LYS 35 2HB LYS 35 2.220 -6.462 -7.926 284 HB3 LYS 35 3HB LYS 35 1.618 -4.789 -7.975 285 HG2 LYS 35 2HG LYS 35 2.940 -4.331 -9.967 286 HG3 LYS 35 3HG LYS 35 3.666 -5.953 -9.891 287 HD2 LYS 35 2HD LYS 35 1.447 -6.965 -10.225 288 HD3 LYS 35 3HD LYS 35 0.718 -5.343 -10.299 289 HE2 LYS 35 2HE LYS 35 2.094 -4.820 -12.271 290 HE3 LYS 35 3HE LYS 35 2.809 -6.446 -12.201 291 HZ1 LYS 35 3HZ LYS 35 -0.045 -5.846 -12.644 292 HZ2 LYS 35 1HZ LYS 35 1.024 -6.328 -13.804 293 HZ3 LYS 35 2HZ LYS 35 0.617 -7.355 -12.578 294 H ALA 36 H ALA 36 2.973 -2.950 -5.935 295 HA ALA 36 HA ALA 36 3.361 -1.007 -8.047 296 HB1 ALA 36 3HB ALA 36 2.866 -0.626 -5.074 297 HB2 ALA 36 1HB ALA 36 2.760 0.642 -6.317 298 HB3 ALA 36 2HB ALA 36 1.620 -0.725 -6.341 299 H LYS 37 H LYS 37 5.608 -1.611 -8.513 300 HA LYS 37 HA LYS 37 7.733 -1.129 -6.651 301 HB2 LYS 37 2HB LYS 37 7.785 -2.375 -8.868 302 HB3 LYS 37 3HB LYS 37 7.886 -0.775 -9.639 303 HG2 LYS 37 2HG LYS 37 9.986 -0.310 -8.543 304 HG3 LYS 37 3HG LYS 37 9.859 -1.795 -7.572 305 HD2 LYS 37 2HD LYS 37 9.913 -3.118 -9.694 306 HD3 LYS 37 3HD LYS 37 10.200 -1.604 -10.584 307 HE2 LYS 37 2HE LYS 37 12.266 -1.234 -9.339 308 HE3 LYS 37 3HE LYS 37 11.971 -2.700 -8.377 309 HZ1 LYS 37 3HZ LYS 37 12.422 -2.624 -11.292 310 HZ2 LYS 37 1HZ LYS 37 13.524 -3.106 -10.164 311 HZ3 LYS 37 2HZ LYS 37 12.149 -3.985 -10.401 312 H THR 38 H THR 38 5.576 1.052 -8.016 313 HA THR 38 HA THR 38 7.456 3.288 -7.333 314 HB THR 38 HB THR 38 5.977 4.775 -8.543 315 HG1 THR 38 HG1 THR 38 4.335 2.519 -9.148 316 HG21 THR 38 3HG2 THR 38 6.426 2.227 -10.149 317 HG22 THR 38 1HG2 THR 38 6.127 3.844 -10.827 318 HG23 THR 38 2HG2 THR 38 7.617 3.525 -9.907 319 H VAL 39 H VAL 39 6.830 4.923 -5.955 320 HA VAL 39 HA VAL 39 5.103 4.168 -3.737 321 HB VAL 39 HB VAL 39 6.276 6.854 -4.570 322 HG11 VAL 39 1HG1 VAL 39 5.696 7.578 -2.278 323 HG12 VAL 39 2HG1 VAL 39 4.239 7.135 -3.198 324 HG13 VAL 39 3HG1 VAL 39 4.901 6.014 -1.984 325 HG21 VAL 39 3HG2 VAL 39 7.964 5.213 -3.997 326 HG22 VAL 39 1HG2 VAL 39 7.849 6.469 -2.741 327 HG23 VAL 39 2HG2 VAL 39 7.132 4.864 -2.464 328 H GLU 40 H GLU 40 4.626 6.129 -6.634 329 HA GLU 40 HA GLU 40 2.063 7.174 -5.846 330 HB2 GLU 40 2HB GLU 40 3.321 6.658 -8.542 331 HB3 GLU 40 3HB GLU 40 1.747 7.458 -8.317 332 HG2 GLU 40 2HG GLU 40 2.898 9.322 -7.055 333 HG3 GLU 40 3HG GLU 40 4.383 8.360 -7.234 334 H GLY 41 H GLY 41 3.043 4.175 -7.433 335 HA2 GLY 41 2HA GLY 41 0.459 3.249 -8.160 336 HA3 GLY 41 3HA GLY 41 1.859 2.220 -7.779 337 H VAL 42 H VAL 42 2.323 2.837 -5.135 338 HA VAL 42 HA VAL 42 0.447 1.078 -3.838 339 HB VAL 42 HB VAL 42 2.470 3.038 -2.679 340 HG11 VAL 42 1HG1 VAL 42 2.224 1.731 -0.593 341 HG12 VAL 42 2HG1 VAL 42 0.687 2.501 -1.054 342 HG13 VAL 42 3HG1 VAL 42 0.939 0.764 -1.352 343 HG21 VAL 42 3HG2 VAL 42 3.490 1.317 -4.046 344 HG22 VAL 42 1HG2 VAL 42 3.845 1.048 -2.325 345 HG23 VAL 42 2HG2 VAL 42 2.616 0.056 -3.144 346 H ASN 43 H ASN 43 0.707 4.613 -3.849 347 HA ASN 43 HA ASN 43 -1.544 4.943 -2.030 348 HB2 ASN 43 2HB ASN 43 0.332 6.834 -2.560 349 HB3 ASN 43 3HB ASN 43 -0.623 6.717 -4.057 350 HD21 ASN 43 1HD2 ASN 43 -1.747 8.498 -4.220 351 HD22 ASN 43 2HD2 ASN 43 -2.737 9.197 -2.982 352 H ALA 44 H ALA 44 -1.153 4.982 -5.558 353 HA ALA 44 HA ALA 44 -3.842 5.821 -6.103 354 HB1 ALA 44 3HB ALA 44 -1.910 4.224 -7.819 355 HB2 ALA 44 1HB ALA 44 -3.394 5.020 -8.391 356 HB3 ALA 44 2HB ALA 44 -2.046 5.997 -7.764 357 H LEU 45 H LEU 45 -2.332 2.595 -5.943 358 HA LEU 45 HA LEU 45 -4.706 1.118 -6.558 359 HB2 LEU 45 2HB LEU 45 -2.383 0.519 -4.846 360 HB3 LEU 45 3HB LEU 45 -3.469 -0.784 -5.381 361 HG LEU 45 HG LEU 45 -2.061 0.949 -7.405 362 HD11 LEU 45 1HD1 LEU 45 -0.183 -0.713 -7.456 363 HD12 LEU 45 2HD1 LEU 45 -0.277 0.107 -5.880 364 HD13 LEU 45 3HD1 LEU 45 -0.904 -1.549 -6.061 365 HD21 LEU 45 3HD2 LEU 45 -3.827 -0.525 -8.169 366 HD22 LEU 45 1HD2 LEU 45 -2.257 -1.087 -8.791 367 HD23 LEU 45 2HD2 LEU 45 -3.024 -1.925 -7.420 368 H LYS 46 H LYS 46 -3.276 1.953 -3.392 369 HA LYS 46 HA LYS 46 -5.361 0.739 -1.849 370 HB2 LYS 46 2HB LYS 46 -3.017 1.609 -1.174 371 HB3 LYS 46 3HB LYS 46 -3.841 3.173 -0.975 372 HG2 LYS 46 2HG LYS 46 -5.501 1.821 0.518 373 HG3 LYS 46 3HG LYS 46 -4.191 0.618 0.586 374 HD2 LYS 46 2HD LYS 46 -3.889 2.006 2.489 375 HD3 LYS 46 3HD LYS 46 -2.659 2.518 1.309 376 HE2 LYS 46 2HE LYS 46 -4.109 4.375 0.604 377 HE3 LYS 46 3HE LYS 46 -5.336 3.866 1.787 378 HZ1 LYS 46 3HZ LYS 46 -2.603 4.773 2.432 379 HZ2 LYS 46 1HZ LYS 46 -3.980 5.661 2.628 380 HZ3 LYS 46 2HZ LYS 46 -3.741 4.300 3.530 381 H ASP 47 H ASP 47 -5.129 3.864 -3.424 382 HA ASP 47 HA ASP 47 -6.868 5.396 -1.854 383 HB2 ASP 47 2HB ASP 47 -5.542 6.121 -4.018 384 HB3 ASP 47 3HB ASP 47 -6.929 5.320 -4.795 385 H GLU 48 H GLU 48 -7.725 3.074 -4.403 386 HA GLU 48 HA GLU 48 -10.562 3.578 -4.279 387 HB2 GLU 48 2HB GLU 48 -8.945 1.180 -5.145 388 HB3 GLU 48 3HB GLU 48 -10.715 1.296 -5.297 389 HG2 GLU 48 2HG GLU 48 -10.430 3.263 -6.860 390 HG3 GLU 48 3HG GLU 48 -8.690 3.123 -6.522 391 H ILE 49 H ILE 49 -8.416 1.412 -2.491 392 HA ILE 49 HA ILE 49 -10.646 0.019 -1.180 393 HB ILE 49 HB ILE 49 -7.672 0.101 -0.489 394 HG12 ILE 49 2HG1 ILE 49 -8.051 -0.716 -2.724 395 HG13 ILE 49 3HG1 ILE 49 -7.466 -1.986 -1.624 396 HG21 ILE 49 1HG2 ILE 49 -8.163 -1.974 0.760 397 HG22 ILE 49 2HG2 ILE 49 -9.112 -0.608 1.391 398 HG23 ILE 49 3HG2 ILE 49 -9.885 -1.818 0.342 399 HD11 ILE 49 3HD1 ILE 49 -10.342 -1.603 -2.531 400 HD12 ILE 49 1HD1 ILE 49 -9.219 -2.847 -3.127 401 HD13 ILE 49 2HD1 ILE 49 -9.757 -2.873 -1.431 402 H LEU 50 H LEU 50 -8.448 2.649 -0.329 403 HA LEU 50 HA LEU 50 -9.358 2.874 2.395 404 HB2 LEU 50 2HB LEU 50 -7.356 3.733 1.615 405 HB3 LEU 50 3HB LEU 50 -8.075 4.938 0.522 406 HG LEU 50 HG LEU 50 -9.175 5.965 2.566 407 HD11 LEU 50 1HD1 LEU 50 -8.099 5.446 4.773 408 HD12 LEU 50 2HD1 LEU 50 -8.890 4.009 4.086 409 HD13 LEU 50 3HD1 LEU 50 -7.123 4.186 3.984 410 HD21 LEU 50 3HD2 LEU 50 -7.253 6.983 1.494 411 HD22 LEU 50 1HD2 LEU 50 -7.139 7.182 3.259 412 HD23 LEU 50 2HD2 LEU 50 -6.146 5.955 2.435 413 H LYS 51 H LYS 51 -10.472 4.316 -0.642 414 HA LYS 51 HA LYS 51 -12.525 5.929 0.653 415 HB2 LYS 51 2HB LYS 51 -12.081 5.004 -2.185 416 HB3 LYS 51 3HB LYS 51 -13.450 6.025 -1.684 417 HG2 LYS 51 2HG LYS 51 -11.911 7.780 -0.961 418 HG3 LYS 51 3HG LYS 51 -10.517 6.754 -1.377 419 HD2 LYS 51 2HD LYS 51 -11.161 6.776 -3.729 420 HD3 LYS 51 3HD LYS 51 -12.622 7.714 -3.344 421 HE2 LYS 51 2HE LYS 51 -11.255 9.580 -2.574 422 HE3 LYS 51 3HE LYS 51 -9.773 8.641 -2.868 423 HZ1 LYS 51 3HZ LYS 51 -11.707 9.485 -4.931 424 HZ2 LYS 51 1HZ LYS 51 -10.230 10.169 -4.664 425 HZ3 LYS 51 2HZ LYS 51 -10.333 8.613 -5.205 426 H ALA 52 H ALA 52 -12.247 2.613 -0.271 427 HA ALA 52 HA ALA 52 -15.129 2.147 -0.369 428 HB1 ALA 52 3HB ALA 52 -12.801 0.208 -0.143 429 HB2 ALA 52 1HB ALA 52 -14.494 -0.232 -0.464 430 HB3 ALA 52 2HB ALA 52 -13.585 0.734 -1.651 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 18.285 -3.817 -0.417 2 H2 GLY 1 2H GLY 1 18.964 -4.015 -1.740 3 H3 GLY 1 3H GLY 1 19.446 -2.948 -0.802 4 HA2 GLY 1 2HA GLY 1 17.518 -2.585 -2.856 5 HA3 GLY 1 3HA GLY 1 16.713 -2.350 -1.287 6 H THR 2 H THR 2 16.883 -0.294 -3.137 7 HA THR 2 HA THR 2 19.121 1.464 -2.321 8 HB THR 2 HB THR 2 18.243 3.044 -3.924 9 HG1 THR 2 HG1 THR 2 16.223 2.375 -5.059 10 HG21 THR 2 3HG2 THR 2 17.968 0.219 -5.022 11 HG22 THR 2 1HG2 THR 2 18.221 1.691 -5.990 12 HG23 THR 2 2HG2 THR 2 19.487 1.132 -4.871 13 H ILE 3 H ILE 3 18.593 3.756 -1.773 14 HA ILE 3 HA ILE 3 17.068 3.845 0.679 15 HB ILE 3 HB ILE 3 18.135 6.048 -1.142 16 HG12 ILE 3 2HG1 ILE 3 19.099 5.131 1.551 17 HG13 ILE 3 3HG1 ILE 3 19.746 4.546 0.000 18 HG21 ILE 3 1HG2 ILE 3 17.688 7.580 0.745 19 HG22 ILE 3 2HG2 ILE 3 16.181 6.853 0.142 20 HG23 ILE 3 3HG2 ILE 3 16.921 6.251 1.644 21 HD11 ILE 3 3HD1 ILE 3 19.770 7.428 0.963 22 HD12 ILE 3 1HD1 ILE 3 21.165 6.326 0.941 23 HD13 ILE 3 2HD1 ILE 3 20.416 6.843 -0.588 24 H ASP 4 H ASP 4 16.284 4.818 -2.632 25 HA ASP 4 HA ASP 4 13.690 5.887 -1.974 26 HB2 ASP 4 2HB ASP 4 14.773 4.727 -4.611 27 HB3 ASP 4 3HB ASP 4 13.167 5.410 -4.257 28 H GLU 5 H GLU 5 14.810 2.632 -2.822 29 HA GLU 5 HA GLU 5 12.152 1.467 -2.810 30 HB2 GLU 5 2HB GLU 5 14.920 0.306 -2.491 31 HB3 GLU 5 3HB GLU 5 13.433 -0.670 -2.524 32 HG2 GLU 5 2HG GLU 5 12.992 0.065 -4.878 33 HG3 GLU 5 3HG GLU 5 14.356 1.187 -4.674 34 H TRP 6 H TRP 6 14.561 2.132 -0.344 35 HA TRP 6 HA TRP 6 13.277 0.607 1.753 36 HB2 TRP 6 2HB TRP 6 15.161 3.003 1.802 37 HB3 TRP 6 3HB TRP 6 14.598 2.155 3.262 38 HD1 TRP 6 HD1 TRP 6 14.830 -0.604 1.447 39 HE1 TRP 6 HE1 TRP 6 17.266 -1.774 1.425 40 HE3 TRP 6 HE3 TRP 6 17.581 3.407 2.923 41 HZ2 TRP 6 HZ2 TRP 6 19.847 -0.954 1.978 42 HZ3 TRP 6 HZ3 TRP 6 19.977 3.210 3.171 43 HH2 TRP 6 HH2 TRP 6 21.150 1.098 2.719 44 H LEU 7 H LEU 7 13.004 3.994 0.691 45 HA LEU 7 HA LEU 7 11.007 4.729 2.624 46 HB2 LEU 7 2HB LEU 7 11.526 5.615 -0.139 47 HB3 LEU 7 3HB LEU 7 10.499 6.583 0.944 48 HG LEU 7 HG LEU 7 13.416 5.963 1.511 49 HD11 LEU 7 1HD1 LEU 7 13.896 8.301 0.738 50 HD12 LEU 7 2HD1 LEU 7 13.237 7.306 -0.582 51 HD13 LEU 7 3HD1 LEU 7 12.191 8.475 0.259 52 HD21 LEU 7 3HD2 LEU 7 12.081 6.524 3.455 53 HD22 LEU 7 1HD2 LEU 7 13.216 7.848 3.096 54 HD23 LEU 7 2HD2 LEU 7 11.496 8.007 2.662 55 H LEU 8 H LEU 8 10.743 3.461 -0.693 56 HA LEU 8 HA LEU 8 7.872 3.427 -0.738 57 HB2 LEU 8 2HB LEU 8 8.916 3.311 -2.678 58 HB3 LEU 8 3HB LEU 8 10.045 1.987 -2.313 59 HG LEU 8 HG LEU 8 8.144 0.402 -2.257 60 HD11 LEU 8 1HD1 LEU 8 5.920 1.157 -3.139 61 HD12 LEU 8 2HD1 LEU 8 6.359 2.036 -1.655 62 HD13 LEU 8 3HD1 LEU 8 6.542 2.820 -3.242 63 HD21 LEU 8 3HD2 LEU 8 9.417 0.665 -4.304 64 HD22 LEU 8 1HD2 LEU 8 7.707 0.360 -4.689 65 HD23 LEU 8 2HD2 LEU 8 8.370 2.009 -4.818 66 H LYS 9 H LYS 9 10.262 1.005 0.283 67 HA LYS 9 HA LYS 9 8.455 -1.075 0.966 68 HB2 LYS 9 2HB LYS 9 10.893 -1.289 0.972 69 HB3 LYS 9 3HB LYS 9 10.982 -0.198 2.375 70 HG2 LYS 9 2HG LYS 9 9.616 -1.858 3.667 71 HG3 LYS 9 3HG LYS 9 9.738 -2.966 2.280 72 HD2 LYS 9 2HD LYS 9 11.419 -3.468 4.024 73 HD3 LYS 9 3HD LYS 9 12.166 -3.003 2.477 74 HE2 LYS 9 2HE LYS 9 12.398 -0.676 3.356 75 HE3 LYS 9 3HE LYS 9 11.795 -1.252 4.927 76 HZ1 LYS 9 3HZ LYS 9 14.237 -2.206 3.571 77 HZ2 LYS 9 1HZ LYS 9 14.195 -1.184 4.865 78 HZ3 LYS 9 2HZ LYS 9 13.678 -2.742 5.029 79 H GLU 10 H GLU 10 9.378 1.834 2.770 80 HA GLU 10 HA GLU 10 7.707 1.150 5.066 81 HB2 GLU 10 2HB GLU 10 8.979 3.719 4.117 82 HB3 GLU 10 3HB GLU 10 8.032 3.570 5.617 83 HG2 GLU 10 2HG GLU 10 9.735 1.934 6.510 84 HG3 GLU 10 3HG GLU 10 10.512 2.055 4.916 85 H ALA 11 H ALA 11 7.280 2.980 2.080 86 HA ALA 11 HA ALA 11 4.734 4.100 2.736 87 HB1 ALA 11 3HB ALA 11 5.852 3.273 0.035 88 HB2 ALA 11 1HB ALA 11 4.445 4.327 0.298 89 HB3 ALA 11 2HB ALA 11 6.061 4.858 0.816 90 H LYS 12 H LYS 12 5.665 0.974 1.341 91 HA LYS 12 HA LYS 12 2.981 0.101 0.764 92 HB2 LYS 12 2HB LYS 12 5.524 -1.426 1.337 93 HB3 LYS 12 3HB LYS 12 4.000 -2.167 0.794 94 HG2 LYS 12 2HG LYS 12 4.144 -1.197 -1.340 95 HG3 LYS 12 3HG LYS 12 5.322 0.024 -0.805 96 HD2 LYS 12 2HD LYS 12 7.039 -1.681 -0.554 97 HD3 LYS 12 3HD LYS 12 5.867 -2.959 -0.955 98 HE2 LYS 12 2HE LYS 12 5.543 -1.868 -3.185 99 HE3 LYS 12 3HE LYS 12 6.858 -0.744 -2.773 100 HZ1 LYS 12 3HZ LYS 12 7.106 -3.678 -2.963 101 HZ2 LYS 12 1HZ LYS 12 7.647 -2.595 -4.084 102 HZ3 LYS 12 2HZ LYS 12 8.327 -2.635 -2.581 103 H GLU 13 H GLU 13 5.075 -0.291 3.607 104 HA GLU 13 HA GLU 13 3.184 -1.992 5.010 105 HB2 GLU 13 2HB GLU 13 5.548 -0.343 5.908 106 HB3 GLU 13 3HB GLU 13 4.587 -1.373 6.995 107 HG2 GLU 13 2HG GLU 13 5.277 -3.400 5.654 108 HG3 GLU 13 3HG GLU 13 6.084 -2.251 4.562 109 H LYS 14 H LYS 14 3.805 1.498 4.950 110 HA LYS 14 HA LYS 14 2.237 1.928 7.388 111 HB2 LYS 14 2HB LYS 14 3.536 3.757 5.371 112 HB3 LYS 14 3HB LYS 14 2.578 4.348 6.749 113 HG2 LYS 14 2HG LYS 14 5.030 2.582 7.017 114 HG3 LYS 14 3HG LYS 14 5.072 4.357 7.114 115 HD2 LYS 14 2HD LYS 14 3.501 2.491 8.923 116 HD3 LYS 14 3HD LYS 14 4.990 3.364 9.354 117 HE2 LYS 14 2HE LYS 14 3.911 5.474 9.226 118 HE3 LYS 14 3HE LYS 14 2.490 4.780 8.412 119 HZ1 LYS 14 3HZ LYS 14 3.299 4.249 11.199 120 HZ2 LYS 14 1HZ LYS 14 2.057 5.229 10.731 121 HZ3 LYS 14 2HZ LYS 14 1.980 3.606 10.445 122 H ALA 15 H ALA 15 1.675 2.116 3.927 123 HA ALA 15 HA ALA 15 -0.558 3.914 4.083 124 HB1 ALA 15 3HB ALA 15 0.171 1.884 1.944 125 HB2 ALA 15 1HB ALA 15 -1.006 3.206 1.766 126 HB3 ALA 15 2HB ALA 15 0.716 3.576 2.014 127 H ILE 16 H ILE 16 -0.293 0.382 4.149 128 HA ILE 16 HA ILE 16 -3.158 -0.043 3.762 129 HB ILE 16 HB ILE 16 -1.037 -1.943 4.865 130 HG12 ILE 16 2HG1 ILE 16 -0.215 -1.373 2.807 131 HG13 ILE 16 3HG1 ILE 16 -1.131 -2.870 2.520 132 HG21 ILE 16 1HG2 ILE 16 -2.610 -3.699 4.124 133 HG22 ILE 16 2HG2 ILE 16 -3.367 -2.629 5.327 134 HG23 ILE 16 3HG2 ILE 16 -3.763 -2.449 3.602 135 HD11 ILE 16 3HD1 ILE 16 -2.094 -0.053 1.916 136 HD12 ILE 16 1HD1 ILE 16 -1.515 -1.233 0.719 137 HD13 ILE 16 2HD1 ILE 16 -3.012 -1.550 1.629 138 H GLU 17 H GLU 17 -1.158 0.622 6.496 139 HA GLU 17 HA GLU 17 -2.620 -0.625 8.561 140 HB2 GLU 17 2HB GLU 17 -1.175 2.024 8.469 141 HB3 GLU 17 3HB GLU 17 -1.857 1.321 9.957 142 HG2 GLU 17 2HG GLU 17 -0.294 -0.649 9.720 143 HG3 GLU 17 3HG GLU 17 0.203 0.083 8.178 144 H GLU 18 H GLU 18 -3.344 2.331 6.780 145 HA GLU 18 HA GLU 18 -5.543 3.169 8.444 146 HB2 GLU 18 2HB GLU 18 -4.986 3.602 5.505 147 HB3 GLU 18 3HB GLU 18 -6.254 4.427 6.443 148 HG2 GLU 18 2HG GLU 18 -3.219 4.735 6.850 149 HG3 GLU 18 3HG GLU 18 -4.412 5.856 6.158 150 H LEU 19 H LEU 19 -5.334 1.019 5.630 151 HA LEU 19 HA LEU 19 -8.163 0.510 5.457 152 HB2 LEU 19 2HB LEU 19 -5.671 -0.544 4.520 153 HB3 LEU 19 3HB LEU 19 -6.913 -1.816 4.532 154 HG LEU 19 HG LEU 19 -8.321 -0.537 3.036 155 HD11 LEU 19 1HD1 LEU 19 -7.549 1.662 2.107 156 HD12 LEU 19 2HD1 LEU 19 -7.736 1.737 3.876 157 HD13 LEU 19 3HD1 LEU 19 -6.114 1.584 3.157 158 HD21 LEU 19 3HD2 LEU 19 -6.637 -1.942 2.003 159 HD22 LEU 19 1HD2 LEU 19 -6.902 -0.486 1.014 160 HD23 LEU 19 2HD2 LEU 19 -5.456 -0.610 2.048 161 H LYS 20 H LYS 20 -5.547 -1.062 7.270 162 HA LYS 20 HA LYS 20 -7.138 -3.149 8.412 163 HB2 LYS 20 2HB LYS 20 -4.768 -1.655 9.547 164 HB3 LYS 20 3HB LYS 20 -5.445 -3.168 10.194 165 HG2 LYS 20 2HG LYS 20 -4.931 -4.251 7.984 166 HG3 LYS 20 3HG LYS 20 -4.091 -2.755 7.509 167 HD2 LYS 20 2HD LYS 20 -2.587 -3.003 9.463 168 HD3 LYS 20 3HD LYS 20 -3.403 -4.529 9.876 169 HE2 LYS 20 2HE LYS 20 -2.727 -5.490 7.727 170 HE3 LYS 20 3HE LYS 20 -1.939 -3.959 7.281 171 HZ1 LYS 20 3HZ LYS 20 -1.173 -5.685 9.548 172 HZ2 LYS 20 1HZ LYS 20 -0.359 -5.562 8.118 173 HZ3 LYS 20 2HZ LYS 20 -0.441 -4.265 9.134 174 H LYS 21 H LYS 21 -6.637 0.220 9.380 175 HA LYS 21 HA LYS 21 -8.202 0.060 11.798 176 HB2 LYS 21 2HB LYS 21 -7.573 2.330 9.910 177 HB3 LYS 21 3HB LYS 21 -8.476 2.524 11.431 178 HG2 LYS 21 2HG LYS 21 -6.552 1.797 12.720 179 HG3 LYS 21 3HG LYS 21 -5.650 1.433 11.231 180 HD2 LYS 21 2HD LYS 21 -5.879 3.868 10.607 181 HD3 LYS 21 3HD LYS 21 -6.551 4.152 12.230 182 HE2 LYS 21 2HE LYS 21 -4.513 3.423 13.277 183 HE3 LYS 21 3HE LYS 21 -3.848 2.882 11.719 184 HZ1 LYS 21 3HZ LYS 21 -4.455 5.675 12.448 185 HZ2 LYS 21 1HZ LYS 21 -2.948 5.008 12.382 186 HZ3 LYS 21 2HZ LYS 21 -3.837 5.175 11.003 187 H ALA 22 H ALA 22 -9.041 0.278 8.417 188 HA ALA 22 HA ALA 22 -11.788 1.145 9.035 189 HB1 ALA 22 3HB ALA 22 -10.468 0.407 6.402 190 HB2 ALA 22 1HB ALA 22 -12.095 1.099 6.590 191 HB3 ALA 22 2HB ALA 22 -10.665 2.051 7.052 192 H GLY 23 H GLY 23 -10.150 -1.742 9.108 193 HA2 GLY 23 2HA GLY 23 -11.166 -3.797 9.710 194 HA3 GLY 23 3HA GLY 23 -12.714 -3.218 9.050 195 H ILE 24 H ILE 24 -10.019 -2.611 7.038 196 HA ILE 24 HA ILE 24 -10.877 -4.739 5.144 197 HB ILE 24 HB ILE 24 -8.780 -2.539 4.856 198 HG12 ILE 24 2HG1 ILE 24 -10.940 -1.576 5.154 199 HG13 ILE 24 3HG1 ILE 24 -10.390 -1.393 3.472 200 HG21 ILE 24 1HG2 ILE 24 -8.930 -3.067 2.445 201 HG22 ILE 24 2HG2 ILE 24 -8.401 -4.485 3.380 202 HG23 ILE 24 3HG2 ILE 24 -10.081 -4.376 2.804 203 HD11 ILE 24 3HD1 ILE 24 -12.402 -3.439 4.472 204 HD12 ILE 24 1HD1 ILE 24 -12.786 -1.957 3.568 205 HD13 ILE 24 2HD1 ILE 24 -11.851 -3.256 2.791 206 H THR 25 H THR 25 -9.990 -6.582 4.855 207 HA THR 25 HA THR 25 -7.256 -7.012 6.016 208 HB THR 25 HB THR 25 -7.971 -9.257 6.727 209 HG1 THR 25 HG1 THR 25 -10.246 -9.738 6.633 210 HG21 THR 25 3HG2 THR 25 -9.819 -7.068 7.760 211 HG22 THR 25 1HG2 THR 25 -9.455 -8.601 8.589 212 HG23 THR 25 2HG2 THR 25 -8.169 -7.395 8.340 213 H SER 26 H SER 26 -9.082 -6.977 3.268 214 HA SER 26 HA SER 26 -8.579 -9.399 1.867 215 HB2 SER 26 2HB SER 26 -10.075 -7.744 1.131 216 HB3 SER 26 3HB SER 26 -8.716 -6.655 0.771 217 HG SER 26 HG SER 26 -9.144 -9.224 -0.355 218 H ASP 27 H ASP 27 -6.598 -10.351 1.873 219 HA ASP 27 HA ASP 27 -4.118 -8.817 1.726 220 HB2 ASP 27 2HB ASP 27 -4.661 -11.838 1.484 221 HB3 ASP 27 3HB ASP 27 -3.122 -10.954 1.338 222 H TYR 28 H TYR 28 -6.362 -10.062 -0.573 223 HA TYR 28 HA TYR 28 -4.706 -10.335 -2.862 224 HB2 TYR 28 2HB TYR 28 -7.043 -10.947 -2.864 225 HB3 TYR 28 3HB TYR 28 -7.514 -9.253 -2.585 226 HD1 TYR 28 HD1 TYR 28 -5.940 -11.551 -5.057 227 HD2 TYR 28 HD2 TYR 28 -7.757 -7.750 -4.407 228 HE1 TYR 28 HE1 TYR 28 -6.014 -11.177 -7.505 229 HE2 TYR 28 HE2 TYR 28 -7.840 -7.360 -6.846 230 HH TYR 28 HH TYR 28 -7.365 -8.191 -8.913 231 H TYR 29 H TYR 29 -6.427 -7.404 -1.744 232 HA TYR 29 HA TYR 29 -5.126 -5.744 -3.752 233 HB2 TYR 29 2HB TYR 29 -6.681 -5.070 -1.248 234 HB3 TYR 29 3HB TYR 29 -6.112 -3.882 -2.446 235 HD1 TYR 29 HD2 TYR 29 -6.885 -4.336 -4.921 236 HD2 TYR 29 HD1 TYR 29 -8.828 -5.953 -1.487 237 HE1 TYR 29 HE2 TYR 29 -8.933 -4.688 -6.259 238 HE2 TYR 29 HE1 TYR 29 -10.889 -6.313 -2.812 239 HH TYR 29 HH TYR 29 -11.889 -6.108 -4.842 240 H PHE 30 H PHE 30 -4.487 -6.556 -0.385 241 HA PHE 30 HA PHE 30 -2.340 -4.697 0.032 242 HB2 PHE 30 2HB PHE 30 -2.760 -7.503 1.154 243 HB3 PHE 30 3HB PHE 30 -1.592 -6.310 1.766 244 HD1 PHE 30 HD2 PHE 30 -4.463 -4.607 0.703 245 HD2 PHE 30 HD1 PHE 30 -2.960 -7.051 3.869 246 HE1 PHE 30 HE2 PHE 30 -6.188 -3.697 2.222 247 HE2 PHE 30 HE1 PHE 30 -4.686 -6.145 5.390 248 HZ PHE 30 HZ PHE 30 -6.300 -4.467 4.566 249 H ASP 31 H ASP 31 -2.547 -7.690 -1.769 250 HA ASP 31 HA ASP 31 0.318 -7.981 -2.156 251 HB2 ASP 31 2HB ASP 31 -1.560 -9.799 -2.574 252 HB3 ASP 31 3HB ASP 31 -1.833 -8.769 -4.000 253 H LEU 32 H LEU 32 -2.208 -6.109 -3.718 254 HA LEU 32 HA LEU 32 -0.875 -5.789 -6.240 255 HB2 LEU 32 2HB LEU 32 -3.071 -4.701 -4.757 256 HB3 LEU 32 3HB LEU 32 -2.497 -3.528 -5.964 257 HG LEU 32 HG LEU 32 -2.771 -5.330 -7.710 258 HD11 LEU 32 1HD1 LEU 32 -4.277 -7.248 -7.124 259 HD12 LEU 32 2HD1 LEU 32 -2.783 -7.279 -6.156 260 HD13 LEU 32 3HD1 LEU 32 -4.301 -6.693 -5.435 261 HD21 LEU 32 3HD2 LEU 32 -4.395 -3.547 -7.467 262 HD22 LEU 32 1HD2 LEU 32 -5.220 -5.067 -7.885 263 HD23 LEU 32 2HD2 LEU 32 -5.258 -4.466 -6.210 264 H ILE 33 H ILE 33 -0.720 -3.978 -3.219 265 HA ILE 33 HA ILE 33 0.867 -1.794 -4.325 266 HB ILE 33 HB ILE 33 1.364 -1.282 -1.939 267 HG12 ILE 33 2HG1 ILE 33 -0.400 -3.475 -1.022 268 HG13 ILE 33 3HG1 ILE 33 1.268 -3.877 -1.489 269 HG21 ILE 33 1HG2 ILE 33 -0.958 -0.868 -1.199 270 HG22 ILE 33 2HG2 ILE 33 -0.757 -0.480 -2.924 271 HG23 ILE 33 3HG2 ILE 33 -1.554 -1.995 -2.440 272 HD11 ILE 33 3HD1 ILE 33 0.452 -1.821 0.593 273 HD12 ILE 33 1HD1 ILE 33 1.103 -3.441 0.929 274 HD13 ILE 33 2HD1 ILE 33 2.121 -2.222 0.125 275 H ASN 34 H ASN 34 1.585 -5.019 -3.398 276 HA ASN 34 HA ASN 34 4.442 -4.543 -2.987 277 HB2 ASN 34 2HB ASN 34 3.027 -7.276 -3.452 278 HB3 ASN 34 3HB ASN 34 4.704 -6.719 -3.235 279 HD21 ASN 34 1HD2 ASN 34 2.740 -8.406 -1.640 280 HD22 ASN 34 2HD2 ASN 34 2.834 -7.751 -0.038 281 H LYS 35 H LYS 35 2.401 -5.568 -5.708 282 HA LYS 35 HA LYS 35 4.561 -5.688 -7.621 283 HB2 LYS 35 2HB LYS 35 2.290 -6.595 -7.980 284 HB3 LYS 35 3HB LYS 35 1.664 -4.929 -8.026 285 HG2 LYS 35 2HG LYS 35 2.970 -4.453 -10.024 286 HG3 LYS 35 3HG LYS 35 3.716 -6.066 -9.953 287 HD2 LYS 35 2HD LYS 35 1.508 -7.106 -10.274 288 HD3 LYS 35 3HD LYS 35 0.759 -5.492 -10.345 289 HE2 LYS 35 2HE LYS 35 2.117 -4.953 -12.326 290 HE3 LYS 35 3HE LYS 35 2.854 -6.570 -12.258 291 HZ1 LYS 35 3HZ LYS 35 -0.010 -6.008 -12.686 292 HZ2 LYS 35 1HZ LYS 35 1.060 -6.476 -13.851 293 HZ3 LYS 35 2HZ LYS 35 0.673 -7.509 -12.624 294 H ALA 36 H ALA 36 2.993 -3.069 -6.005 295 HA ALA 36 HA ALA 36 3.374 -1.129 -8.126 296 HB1 ALA 36 3HB ALA 36 2.820 -0.743 -5.164 297 HB2 ALA 36 1HB ALA 36 2.714 0.518 -6.415 298 HB3 ALA 36 2HB ALA 36 1.598 -0.869 -6.452 299 H LYS 37 H LYS 37 5.641 -1.700 -8.547 300 HA LYS 37 HA LYS 37 7.712 -1.202 -6.627 301 HB2 LYS 37 2HB LYS 37 7.840 -2.476 -8.819 302 HB3 LYS 37 3HB LYS 37 7.936 -0.888 -9.616 303 HG2 LYS 37 2HG LYS 37 10.004 -0.374 -8.470 304 HG3 LYS 37 3HG LYS 37 9.878 -1.856 -7.493 305 HD2 LYS 37 2HD LYS 37 9.998 -3.191 -9.606 306 HD3 LYS 37 3HD LYS 37 10.282 -1.677 -10.497 307 HE2 LYS 37 2HE LYS 37 12.314 -1.270 -9.206 308 HE3 LYS 37 3HE LYS 37 12.020 -2.739 -8.248 309 HZ1 LYS 37 3HZ LYS 37 12.535 -2.659 -11.152 310 HZ2 LYS 37 1HZ LYS 37 13.619 -3.123 -9.999 311 HZ3 LYS 37 2HZ LYS 37 12.263 -4.024 -10.265 312 H THR 38 H THR 38 5.587 0.960 -8.055 313 HA THR 38 HA THR 38 7.455 3.210 -7.387 314 HB THR 38 HB THR 38 5.978 4.674 -8.628 315 HG1 THR 38 HG1 THR 38 4.207 3.303 -9.818 316 HG21 THR 38 3HG2 THR 38 6.441 2.103 -10.191 317 HG22 THR 38 1HG2 THR 38 6.141 3.709 -10.896 318 HG23 THR 38 2HG2 THR 38 7.628 3.409 -9.964 319 H VAL 39 H VAL 39 6.831 4.853 -6.027 320 HA VAL 39 HA VAL 39 5.097 4.130 -3.807 321 HB VAL 39 HB VAL 39 6.258 6.808 -4.678 322 HG11 VAL 39 1HG1 VAL 39 5.674 7.565 -2.398 323 HG12 VAL 39 2HG1 VAL 39 4.219 7.101 -3.312 324 HG13 VAL 39 3HG1 VAL 39 4.887 6.001 -2.080 325 HG21 VAL 39 3HG2 VAL 39 7.955 5.185 -4.079 326 HG22 VAL 39 1HG2 VAL 39 7.833 6.458 -2.843 327 HG23 VAL 39 2HG2 VAL 39 7.123 4.854 -2.541 328 H GLU 40 H GLU 40 4.614 6.033 -6.738 329 HA GLU 40 HA GLU 40 2.052 7.094 -5.973 330 HB2 GLU 40 2HB GLU 40 3.304 6.511 -8.657 331 HB3 GLU 40 3HB GLU 40 1.729 7.317 -8.449 332 HG2 GLU 40 2HG GLU 40 2.883 9.212 -7.237 333 HG3 GLU 40 3HG GLU 40 4.369 8.246 -7.395 334 H GLY 41 H GLY 41 3.024 4.063 -7.510 335 HA2 GLY 41 2HA GLY 41 0.420 3.124 -8.169 336 HA3 GLY 41 3HA GLY 41 1.837 2.106 -7.824 337 H VAL 42 H VAL 42 2.390 2.686 -5.211 338 HA VAL 42 HA VAL 42 0.542 0.957 -3.844 339 HB VAL 42 HB VAL 42 2.611 2.913 -2.760 340 HG11 VAL 42 1HG1 VAL 42 2.424 1.622 -0.659 341 HG12 VAL 42 2HG1 VAL 42 0.877 2.397 -1.075 342 HG13 VAL 42 3HG1 VAL 42 1.109 0.657 -1.370 343 HG21 VAL 42 3HG2 VAL 42 3.577 1.177 -4.147 344 HG22 VAL 42 1HG2 VAL 42 3.985 0.917 -2.434 345 HG23 VAL 42 2HG2 VAL 42 2.725 -0.073 -3.209 346 H ASN 43 H ASN 43 0.814 4.491 -3.882 347 HA ASN 43 HA ASN 43 -1.387 4.837 -2.006 348 HB2 ASN 43 2HB ASN 43 0.476 6.722 -2.593 349 HB3 ASN 43 3HB ASN 43 -0.513 6.596 -4.067 350 HD21 ASN 43 1HD2 ASN 43 -1.639 8.376 -4.218 351 HD22 ASN 43 2HD2 ASN 43 -2.597 9.087 -2.961 352 H ALA 44 H ALA 44 -1.088 4.863 -5.544 353 HA ALA 44 HA ALA 44 -3.764 5.781 -6.012 354 HB1 ALA 44 3HB ALA 44 -1.919 4.155 -7.797 355 HB2 ALA 44 1HB ALA 44 -3.394 5.001 -8.320 356 HB3 ALA 44 2HB ALA 44 -2.003 5.931 -7.713 357 H LEU 45 H LEU 45 -2.342 2.515 -5.911 358 HA LEU 45 HA LEU 45 -4.735 1.101 -6.571 359 HB2 LEU 45 2HB LEU 45 -2.469 0.425 -4.810 360 HB3 LEU 45 3HB LEU 45 -3.566 -0.844 -5.401 361 HG LEU 45 HG LEU 45 -2.077 0.893 -7.360 362 HD11 LEU 45 1HD1 LEU 45 -0.211 -0.785 -7.377 363 HD12 LEU 45 2HD1 LEU 45 -0.342 0.022 -5.796 364 HD13 LEU 45 3HD1 LEU 45 -0.978 -1.627 -6.010 365 HD21 LEU 45 3HD2 LEU 45 -3.835 -0.559 -8.186 366 HD22 LEU 45 1HD2 LEU 45 -2.253 -1.128 -8.770 367 HD23 LEU 45 2HD2 LEU 45 -3.064 -1.973 -7.429 368 H LYS 46 H LYS 46 -3.349 1.841 -3.360 369 HA LYS 46 HA LYS 46 -5.509 0.643 -1.900 370 HB2 LYS 46 2HB LYS 46 -3.153 1.354 -1.136 371 HB3 LYS 46 3HB LYS 46 -3.875 2.966 -0.922 372 HG2 LYS 46 2HG LYS 46 -5.659 1.699 0.501 373 HG3 LYS 46 3HG LYS 46 -4.434 0.410 0.575 374 HD2 LYS 46 2HD LYS 46 -4.113 1.755 2.517 375 HD3 LYS 46 3HD LYS 46 -2.797 2.162 1.390 376 HE2 LYS 46 2HE LYS 46 -4.063 4.139 0.640 377 HE3 LYS 46 3HE LYS 46 -5.360 3.738 1.789 378 HZ1 LYS 46 3HZ LYS 46 -2.576 4.402 2.508 379 HZ2 LYS 46 1HZ LYS 46 -3.874 5.407 2.671 380 HZ3 LYS 46 2HZ LYS 46 -3.778 4.030 3.574 381 H ASP 47 H ASP 47 -5.127 3.808 -3.362 382 HA ASP 47 HA ASP 47 -6.757 5.331 -1.637 383 HB2 ASP 47 2HB ASP 47 -5.313 6.059 -3.794 384 HB3 ASP 47 3HB ASP 47 -6.869 5.631 -4.546 385 H GLU 48 H GLU 48 -7.692 3.154 -4.247 386 HA GLU 48 HA GLU 48 -10.432 3.972 -4.435 387 HB2 GLU 48 2HB GLU 48 -9.062 1.328 -4.940 388 HB3 GLU 48 3HB GLU 48 -10.778 1.644 -5.295 389 HG2 GLU 48 2HG GLU 48 -10.093 3.411 -6.962 390 HG3 GLU 48 3HG GLU 48 -8.427 3.114 -6.413 391 H ILE 49 H ILE 49 -8.847 1.528 -2.393 392 HA ILE 49 HA ILE 49 -11.380 0.821 -1.073 393 HB ILE 49 HB ILE 49 -8.465 0.170 -0.443 394 HG12 ILE 49 2HG1 ILE 49 -10.668 -1.579 -1.503 395 HG13 ILE 49 3HG1 ILE 49 -9.425 -0.787 -2.499 396 HG21 ILE 49 1HG2 ILE 49 -9.378 -1.463 1.173 397 HG22 ILE 49 2HG2 ILE 49 -9.836 0.198 1.614 398 HG23 ILE 49 3HG2 ILE 49 -11.024 -0.875 0.839 399 HD11 ILE 49 3HD1 ILE 49 -8.912 -2.829 -0.308 400 HD12 ILE 49 1HD1 ILE 49 -8.844 -3.140 -2.057 401 HD13 ILE 49 2HD1 ILE 49 -7.670 -2.035 -1.303 402 H LEU 50 H LEU 50 -8.630 2.909 -0.368 403 HA LEU 50 HA LEU 50 -9.361 3.513 2.329 404 HB2 LEU 50 2HB LEU 50 -7.292 3.956 1.388 405 HB3 LEU 50 3HB LEU 50 -7.862 5.198 0.249 406 HG LEU 50 HG LEU 50 -8.660 6.502 2.295 407 HD11 LEU 50 1HD1 LEU 50 -7.478 5.962 4.442 408 HD12 LEU 50 2HD1 LEU 50 -8.520 4.618 3.922 409 HD13 LEU 50 3HD1 LEU 50 -6.761 4.530 3.668 410 HD21 LEU 50 3HD2 LEU 50 -6.717 7.163 1.004 411 HD22 LEU 50 1HD2 LEU 50 -6.420 7.446 2.736 412 HD23 LEU 50 2HD2 LEU 50 -5.687 6.041 1.925 413 H LYS 51 H LYS 51 -10.479 4.811 -0.750 414 HA LYS 51 HA LYS 51 -12.258 6.701 0.735 415 HB2 LYS 51 2HB LYS 51 -11.480 6.489 -2.176 416 HB3 LYS 51 3HB LYS 51 -12.693 7.623 -1.535 417 HG2 LYS 51 2HG LYS 51 -11.014 8.767 -0.222 418 HG3 LYS 51 3HG LYS 51 -9.785 7.557 -0.666 419 HD2 LYS 51 2HD LYS 51 -9.965 8.233 -3.025 420 HD3 LYS 51 3HD LYS 51 -11.202 9.437 -2.588 421 HE2 LYS 51 2HE LYS 51 -9.643 10.718 -1.324 422 HE3 LYS 51 3HE LYS 51 -8.425 9.425 -1.388 423 HZ1 LYS 51 3HZ LYS 51 -9.380 10.993 -3.696 424 HZ2 LYS 51 1HZ LYS 51 -7.928 11.190 -2.938 425 HZ3 LYS 51 2HZ LYS 51 -8.250 9.794 -3.755 426 H ALA 52 H ALA 52 -12.522 3.673 0.329 427 HA ALA 52 HA ALA 52 -14.881 3.384 -1.337 428 HB1 ALA 52 3HB ALA 52 -13.721 1.556 0.794 429 HB2 ALA 52 1HB ALA 52 -14.991 1.119 -0.372 430 HB3 ALA 52 2HB ALA 52 -13.351 1.505 -0.946 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 17.849 -4.348 -0.206 2 H2 GLY 1 2H GLY 1 18.494 -4.651 -1.527 3 H3 GLY 1 3H GLY 1 19.064 -3.584 -0.641 4 HA2 GLY 1 2HA GLY 1 17.140 -3.167 -2.687 5 HA3 GLY 1 3HA GLY 1 16.375 -2.808 -1.122 6 H THR 2 H THR 2 16.656 -0.843 -3.045 7 HA THR 2 HA THR 2 19.027 0.781 -2.334 8 HB THR 2 HB THR 2 18.232 2.359 -3.982 9 HG1 THR 2 HG1 THR 2 16.155 1.827 -5.052 10 HG21 THR 2 3HG2 THR 2 17.744 -0.480 -4.968 11 HG22 THR 2 1HG2 THR 2 18.079 0.935 -5.994 12 HG23 THR 2 2HG2 THR 2 19.325 0.331 -4.875 13 H ILE 3 H ILE 3 18.658 3.131 -1.882 14 HA ILE 3 HA ILE 3 17.218 3.418 0.603 15 HB ILE 3 HB ILE 3 18.343 5.474 -1.351 16 HG12 ILE 3 2HG1 ILE 3 19.345 4.626 1.351 17 HG13 ILE 3 3HG1 ILE 3 19.905 3.936 -0.190 18 HG21 ILE 3 1HG2 ILE 3 18.044 7.112 0.475 19 HG22 ILE 3 2HG2 ILE 3 16.480 6.445 -0.047 20 HG23 ILE 3 3HG2 ILE 3 17.234 5.871 1.459 21 HD11 ILE 3 3HD1 ILE 3 20.121 6.851 0.637 22 HD12 ILE 3 1HD1 ILE 3 21.451 5.673 0.623 23 HD13 ILE 3 2HD1 ILE 3 20.682 6.163 -0.905 24 H ASP 4 H ASP 4 16.382 4.305 -2.721 25 HA ASP 4 HA ASP 4 13.872 5.540 -2.026 26 HB2 ASP 4 2HB ASP 4 14.807 4.235 -4.652 27 HB3 ASP 4 3HB ASP 4 13.253 5.020 -4.274 28 H GLU 5 H GLU 5 14.790 2.202 -2.777 29 HA GLU 5 HA GLU 5 12.071 1.189 -2.676 30 HB2 GLU 5 2HB GLU 5 14.778 -0.113 -2.376 31 HB3 GLU 5 3HB GLU 5 13.238 -1.006 -2.343 32 HG2 GLU 5 2HG GLU 5 12.781 -0.310 -4.711 33 HG3 GLU 5 3HG GLU 5 14.226 0.718 -4.575 34 H TRP 6 H TRP 6 14.565 1.797 -0.281 35 HA TRP 6 HA TRP 6 13.252 0.409 1.889 36 HB2 TRP 6 2HB TRP 6 15.254 2.706 1.823 37 HB3 TRP 6 3HB TRP 6 14.682 1.933 3.321 38 HD1 TRP 6 HD1 TRP 6 14.732 -0.894 1.610 39 HE1 TRP 6 HE1 TRP 6 17.106 -2.186 1.571 40 HE3 TRP 6 HE3 TRP 6 17.720 3.026 2.854 41 HZ2 TRP 6 HZ2 TRP 6 19.738 -1.476 2.021 42 HZ3 TRP 6 HZ3 TRP 6 20.110 2.718 3.045 43 HH2 TRP 6 HH2 TRP 6 21.162 0.533 2.645 44 H LEU 7 H LEU 7 13.140 3.778 0.740 45 HA LEU 7 HA LEU 7 11.233 4.665 2.704 46 HB2 LEU 7 2HB LEU 7 11.733 5.483 -0.084 47 HB3 LEU 7 3HB LEU 7 10.817 6.531 1.024 48 HG LEU 7 HG LEU 7 13.700 5.708 1.502 49 HD11 LEU 7 1HD1 LEU 7 14.327 7.989 0.669 50 HD12 LEU 7 2HD1 LEU 7 13.553 7.024 -0.610 51 HD13 LEU 7 3HD1 LEU 7 12.625 8.283 0.239 52 HD21 LEU 7 3HD2 LEU 7 12.473 6.402 3.476 53 HD22 LEU 7 1HD2 LEU 7 13.691 7.629 3.055 54 HD23 LEU 7 2HD2 LEU 7 11.975 7.909 2.672 55 H LEU 8 H LEU 8 10.827 3.379 -0.593 56 HA LEU 8 HA LEU 8 7.958 3.553 -0.586 57 HB2 LEU 8 2HB LEU 8 8.929 3.368 -2.549 58 HB3 LEU 8 3HB LEU 8 10.004 1.992 -2.210 59 HG LEU 8 HG LEU 8 8.026 0.502 -2.099 60 HD11 LEU 8 1HD1 LEU 8 5.824 1.365 -2.938 61 HD12 LEU 8 2HD1 LEU 8 6.339 2.227 -1.469 62 HD13 LEU 8 3HD1 LEU 8 6.528 2.993 -3.064 63 HD21 LEU 8 3HD2 LEU 8 9.266 0.690 -4.174 64 HD22 LEU 8 1HD2 LEU 8 7.534 0.472 -4.521 65 HD23 LEU 8 2HD2 LEU 8 8.277 2.083 -4.673 66 H LYS 9 H LYS 9 10.191 0.965 0.382 67 HA LYS 9 HA LYS 9 8.278 -0.997 1.094 68 HB2 LYS 9 2HB LYS 9 10.723 -1.305 1.102 69 HB3 LYS 9 3HB LYS 9 10.829 -0.257 2.538 70 HG2 LYS 9 2HG LYS 9 9.632 -1.848 3.881 71 HG3 LYS 9 3HG LYS 9 9.236 -2.836 2.455 72 HD2 LYS 9 2HD LYS 9 12.008 -2.351 3.601 73 HD3 LYS 9 3HD LYS 9 11.063 -3.853 3.734 74 HE2 LYS 9 2HE LYS 9 11.132 -4.167 1.333 75 HE3 LYS 9 3HE LYS 9 11.943 -2.599 1.118 76 HZ1 LYS 9 3HZ LYS 9 13.066 -4.929 2.536 77 HZ2 LYS 9 1HZ LYS 9 13.500 -4.425 1.026 78 HZ3 LYS 9 2HZ LYS 9 13.819 -3.475 2.336 79 H GLU 10 H GLU 10 9.371 1.855 2.901 80 HA GLU 10 HA GLU 10 7.650 1.287 5.188 81 HB2 GLU 10 2HB GLU 10 9.069 3.770 4.222 82 HB3 GLU 10 3HB GLU 10 8.102 3.694 5.715 83 HG2 GLU 10 2HG GLU 10 9.701 1.944 6.619 84 HG3 GLU 10 3HG GLU 10 10.518 2.067 5.044 85 H ALA 11 H ALA 11 7.338 3.129 2.192 86 HA ALA 11 HA ALA 11 4.855 4.388 2.834 87 HB1 ALA 11 3HB ALA 11 5.941 3.502 0.139 88 HB2 ALA 11 1HB ALA 11 4.592 4.633 0.395 89 HB3 ALA 11 2HB ALA 11 6.234 5.072 0.923 90 H LYS 12 H LYS 12 5.624 1.207 1.476 91 HA LYS 12 HA LYS 12 2.908 0.483 0.848 92 HB2 LYS 12 2HB LYS 12 5.350 -1.173 1.491 93 HB3 LYS 12 3HB LYS 12 3.797 -1.843 0.939 94 HG2 LYS 12 2HG LYS 12 4.019 -0.917 -1.210 95 HG3 LYS 12 3HG LYS 12 5.258 0.245 -0.678 96 HD2 LYS 12 2HD LYS 12 6.870 -1.552 -0.373 97 HD3 LYS 12 3HD LYS 12 5.633 -2.767 -0.776 98 HE2 LYS 12 2HE LYS 12 5.410 -1.717 -3.027 99 HE3 LYS 12 3HE LYS 12 6.753 -0.628 -2.612 100 HZ1 LYS 12 3HZ LYS 12 6.911 -3.571 -2.741 101 HZ2 LYS 12 1HZ LYS 12 7.506 -2.528 -3.872 102 HZ3 LYS 12 2HZ LYS 12 8.156 -2.561 -2.356 103 H GLU 13 H GLU 13 4.926 -0.076 3.727 104 HA GLU 13 HA GLU 13 2.874 -1.597 5.104 105 HB2 GLU 13 2HB GLU 13 5.351 -0.153 6.048 106 HB3 GLU 13 3HB GLU 13 4.295 -1.119 7.107 107 HG2 GLU 13 2HG GLU 13 4.847 -3.177 5.753 108 HG3 GLU 13 3HG GLU 13 5.759 -2.083 4.685 109 H LYS 14 H LYS 14 3.862 1.813 5.143 110 HA LYS 14 HA LYS 14 2.229 2.473 7.442 111 HB2 LYS 14 2HB LYS 14 3.565 4.097 5.283 112 HB3 LYS 14 3HB LYS 14 2.587 4.831 6.576 113 HG2 LYS 14 2HG LYS 14 4.107 3.841 8.262 114 HG3 LYS 14 3HG LYS 14 5.102 3.169 6.947 115 HD2 LYS 14 2HD LYS 14 6.022 5.286 7.880 116 HD3 LYS 14 3HD LYS 14 5.637 5.391 6.145 117 HE2 LYS 14 2HE LYS 14 4.787 7.387 7.018 118 HE3 LYS 14 3HE LYS 14 3.363 6.328 6.903 119 HZ1 LYS 14 3HZ LYS 14 4.928 6.834 9.352 120 HZ2 LYS 14 1HZ LYS 14 3.448 7.477 9.010 121 HZ3 LYS 14 2HZ LYS 14 3.607 5.851 9.245 122 H ALA 15 H ALA 15 1.662 2.414 3.974 123 HA ALA 15 HA ALA 15 -0.627 4.168 4.056 124 HB1 ALA 15 3HB ALA 15 0.203 2.114 1.979 125 HB2 ALA 15 1HB ALA 15 -1.024 3.381 1.755 126 HB3 ALA 15 2HB ALA 15 0.679 3.828 2.008 127 H ILE 16 H ILE 16 -0.243 0.635 4.096 128 HA ILE 16 HA ILE 16 -3.125 0.160 3.862 129 HB ILE 16 HB ILE 16 -0.906 -1.740 4.746 130 HG12 ILE 16 2HG1 ILE 16 -0.211 -1.068 2.672 131 HG13 ILE 16 3HG1 ILE 16 -1.121 -2.565 2.370 132 HG21 ILE 16 1HG2 ILE 16 -2.490 -3.491 4.017 133 HG22 ILE 16 2HG2 ILE 16 -3.193 -2.489 5.307 134 HG23 ILE 16 3HG2 ILE 16 -3.690 -2.240 3.617 135 HD11 ILE 16 3HD1 ILE 16 -2.156 0.260 1.949 136 HD12 ILE 16 1HD1 ILE 16 -1.629 -0.857 0.670 137 HD13 ILE 16 2HD1 ILE 16 -3.067 -1.237 1.648 138 H GLU 17 H GLU 17 -0.929 0.723 6.476 139 HA GLU 17 HA GLU 17 -2.290 -0.428 8.643 140 HB2 GLU 17 2HB GLU 17 -0.168 0.825 8.761 141 HB3 GLU 17 3HB GLU 17 -1.076 2.336 8.513 142 HG2 GLU 17 2HG GLU 17 -2.281 1.933 10.708 143 HG3 GLU 17 3HG GLU 17 -1.371 0.407 10.777 144 H GLU 18 H GLU 18 -3.125 2.500 6.839 145 HA GLU 18 HA GLU 18 -5.366 3.252 8.478 146 HB2 GLU 18 2HB GLU 18 -4.795 3.642 5.537 147 HB3 GLU 18 3HB GLU 18 -6.161 4.381 6.409 148 HG2 GLU 18 2HG GLU 18 -4.545 5.677 7.835 149 HG3 GLU 18 3HG GLU 18 -3.261 4.743 7.036 150 H LEU 19 H LEU 19 -5.066 1.061 5.701 151 HA LEU 19 HA LEU 19 -7.878 0.469 5.521 152 HB2 LEU 19 2HB LEU 19 -5.347 -0.575 4.622 153 HB3 LEU 19 3HB LEU 19 -6.635 -1.799 4.538 154 HG LEU 19 HG LEU 19 -7.908 -0.479 2.999 155 HD11 LEU 19 1HD1 LEU 19 -7.142 1.792 2.258 156 HD12 LEU 19 2HD1 LEU 19 -7.447 1.753 4.010 157 HD13 LEU 19 3HD1 LEU 19 -5.778 1.686 3.396 158 HD21 LEU 19 3HD2 LEU 19 -6.118 -1.774 2.001 159 HD22 LEU 19 1HD2 LEU 19 -6.360 -0.267 1.085 160 HD23 LEU 19 2HD2 LEU 19 -4.984 -0.418 2.205 161 H LYS 20 H LYS 20 -5.229 -0.975 7.376 162 HA LYS 20 HA LYS 20 -6.751 -3.125 8.510 163 HB2 LYS 20 2HB LYS 20 -4.453 -1.531 9.655 164 HB3 LYS 20 3HB LYS 20 -5.081 -3.061 10.311 165 HG2 LYS 20 2HG LYS 20 -4.493 -4.161 8.139 166 HG3 LYS 20 3HG LYS 20 -3.730 -2.637 7.626 167 HD2 LYS 20 2HD LYS 20 -2.237 -2.764 9.620 168 HD3 LYS 20 3HD LYS 20 -2.950 -4.346 10.012 169 HE2 LYS 20 2HE LYS 20 -2.170 -5.258 7.892 170 HE3 LYS 20 3HE LYS 20 -1.528 -3.669 7.419 171 HZ1 LYS 20 3HZ LYS 20 -0.597 -5.284 9.706 172 HZ2 LYS 20 1HZ LYS 20 0.196 -5.109 8.270 173 HZ3 LYS 20 2HZ LYS 20 -0.001 -3.810 9.269 174 H LYS 21 H LYS 21 -6.309 0.253 9.525 175 HA LYS 21 HA LYS 21 -8.025 0.030 11.846 176 HB2 LYS 21 2HB LYS 21 -7.197 2.351 10.103 177 HB3 LYS 21 3HB LYS 21 -8.218 2.517 11.552 178 HG2 LYS 21 2HG LYS 21 -6.415 1.644 12.954 179 HG3 LYS 21 3HG LYS 21 -5.396 1.396 11.517 180 HD2 LYS 21 2HD LYS 21 -5.475 3.833 11.066 181 HD3 LYS 21 3HD LYS 21 -6.433 4.057 12.549 182 HE2 LYS 21 2HE LYS 21 -4.599 3.171 13.896 183 HE3 LYS 21 3HE LYS 21 -3.644 2.870 12.427 184 HZ1 LYS 21 3HZ LYS 21 -4.527 5.517 13.387 185 HZ2 LYS 21 1HZ LYS 21 -2.996 4.914 13.507 186 HZ3 LYS 21 2HZ LYS 21 -3.641 5.239 12.023 187 H ALA 22 H ALA 22 -8.619 0.329 8.433 188 HA ALA 22 HA ALA 22 -11.362 1.305 8.841 189 HB1 ALA 22 3HB ALA 22 -9.904 0.423 6.325 190 HB2 ALA 22 1HB ALA 22 -11.507 1.193 6.383 191 HB3 ALA 22 2HB ALA 22 -10.067 2.095 6.912 192 H GLY 23 H GLY 23 -9.828 -1.671 8.997 193 HA2 GLY 23 2HA GLY 23 -10.927 -3.660 9.637 194 HA3 GLY 23 3HA GLY 23 -12.466 -2.996 9.040 195 H ILE 24 H ILE 24 -9.748 -2.653 6.953 196 HA ILE 24 HA ILE 24 -10.905 -4.575 5.024 197 HB ILE 24 HB ILE 24 -8.397 -2.841 4.859 198 HG12 ILE 24 2HG1 ILE 24 -10.373 -1.500 5.113 199 HG13 ILE 24 3HG1 ILE 24 -9.671 -1.350 3.485 200 HG21 ILE 24 1HG2 ILE 24 -8.554 -3.289 2.433 201 HG22 ILE 24 2HG2 ILE 24 -8.354 -4.799 3.351 202 HG23 ILE 24 3HG2 ILE 24 -9.955 -4.348 2.718 203 HD11 ILE 24 3HD1 ILE 24 -12.104 -3.014 4.227 204 HD12 ILE 24 1HD1 ILE 24 -12.131 -1.447 3.388 205 HD13 ILE 24 2HD1 ILE 24 -11.401 -2.866 2.600 206 H THR 25 H THR 25 -10.385 -6.548 4.670 207 HA THR 25 HA THR 25 -7.913 -7.578 6.027 208 HB THR 25 HB THR 25 -9.143 -9.682 6.446 209 HG1 THR 25 HG1 THR 25 -11.446 -9.644 6.114 210 HG21 THR 25 3HG2 THR 25 -10.582 -7.224 7.520 211 HG22 THR 25 1HG2 THR 25 -10.638 -8.854 8.229 212 HG23 THR 25 2HG2 THR 25 -9.108 -7.946 8.205 213 H SER 26 H SER 26 -9.055 -6.855 3.124 214 HA SER 26 HA SER 26 -8.783 -9.349 1.609 215 HB2 SER 26 2HB SER 26 -10.180 -7.673 0.841 216 HB3 SER 26 3HB SER 26 -8.829 -6.519 0.751 217 HG SER 26 HG SER 26 -9.098 -8.938 -0.706 218 H ASP 27 H ASP 27 -6.815 -10.353 1.781 219 HA ASP 27 HA ASP 27 -4.286 -8.914 1.736 220 HB2 ASP 27 2HB ASP 27 -4.935 -11.893 1.314 221 HB3 ASP 27 3HB ASP 27 -3.361 -11.063 1.248 222 H TYR 28 H TYR 28 -6.480 -10.088 -0.686 223 HA TYR 28 HA TYR 28 -4.737 -10.297 -2.912 224 HB2 TYR 28 2HB TYR 28 -7.059 -10.960 -3.006 225 HB3 TYR 28 3HB TYR 28 -7.577 -9.278 -2.732 226 HD1 TYR 28 HD1 TYR 28 -5.856 -11.517 -5.161 227 HD2 TYR 28 HD2 TYR 28 -7.790 -7.766 -4.549 228 HE1 TYR 28 HE1 TYR 28 -5.847 -11.122 -7.607 229 HE2 TYR 28 HE2 TYR 28 -7.790 -7.356 -6.986 230 HH TYR 28 HH TYR 28 -7.217 -8.156 -9.040 231 H TYR 29 H TYR 29 -6.572 -7.414 -1.848 232 HA TYR 29 HA TYR 29 -5.261 -5.721 -3.816 233 HB2 TYR 29 2HB TYR 29 -6.930 -5.124 -1.368 234 HB3 TYR 29 3HB TYR 29 -6.320 -3.886 -2.493 235 HD1 TYR 29 HD2 TYR 29 -6.905 -4.387 -5.052 236 HD2 TYR 29 HD1 TYR 29 -9.089 -5.912 -1.722 237 HE1 TYR 29 HE2 TYR 29 -8.871 -4.726 -6.510 238 HE2 TYR 29 HE1 TYR 29 -11.069 -6.259 -3.170 239 HH TYR 29 HH TYR 29 -11.030 -5.438 -6.641 240 H PHE 30 H PHE 30 -4.662 -6.541 -0.450 241 HA PHE 30 HA PHE 30 -2.598 -4.610 0.040 242 HB2 PHE 30 2HB PHE 30 -3.011 -7.437 1.103 243 HB3 PHE 30 3HB PHE 30 -1.782 -6.306 1.713 244 HD1 PHE 30 HD2 PHE 30 -4.663 -4.527 0.737 245 HD2 PHE 30 HD1 PHE 30 -3.070 -6.977 3.854 246 HE1 PHE 30 HE2 PHE 30 -6.312 -3.583 2.319 247 HE2 PHE 30 HE1 PHE 30 -4.720 -6.037 5.438 248 HZ PHE 30 HZ PHE 30 -6.341 -4.341 4.669 249 H ASP 31 H ASP 31 -2.644 -7.595 -1.794 250 HA ASP 31 HA ASP 31 0.239 -7.805 -2.063 251 HB2 ASP 31 2HB ASP 31 -1.565 -9.681 -2.537 252 HB3 ASP 31 3HB ASP 31 -1.814 -8.671 -3.983 253 H LEU 32 H LEU 32 -2.258 -5.996 -3.734 254 HA LEU 32 HA LEU 32 -0.872 -5.736 -6.232 255 HB2 LEU 32 2HB LEU 32 -3.107 -4.618 -4.828 256 HB3 LEU 32 3HB LEU 32 -2.518 -3.486 -6.068 257 HG LEU 32 HG LEU 32 -2.745 -5.358 -7.748 258 HD11 LEU 32 1HD1 LEU 32 -4.255 -7.259 -7.116 259 HD12 LEU 32 2HD1 LEU 32 -2.782 -7.245 -6.119 260 HD13 LEU 32 3HD1 LEU 32 -4.316 -6.637 -5.451 261 HD21 LEU 32 3HD2 LEU 32 -4.383 -3.575 -7.609 262 HD22 LEU 32 1HD2 LEU 32 -5.192 -5.115 -7.983 263 HD23 LEU 32 2HD2 LEU 32 -5.267 -4.446 -6.334 264 H ILE 33 H ILE 33 -0.783 -3.847 -3.261 265 HA ILE 33 HA ILE 33 0.772 -1.660 -4.402 266 HB ILE 33 HB ILE 33 1.234 -1.080 -2.026 267 HG12 ILE 33 2HG1 ILE 33 -0.485 -3.289 -1.066 268 HG13 ILE 33 3HG1 ILE 33 1.193 -3.668 -1.517 269 HG21 ILE 33 1HG2 ILE 33 -1.103 -0.705 -1.314 270 HG22 ILE 33 2HG2 ILE 33 -0.898 -0.354 -3.045 271 HG23 ILE 33 3HG2 ILE 33 -1.663 -1.875 -2.531 272 HD11 ILE 33 3HD1 ILE 33 0.327 -1.579 0.512 273 HD12 ILE 33 1HD1 ILE 33 1.009 -3.177 0.890 274 HD13 ILE 33 2HD1 ILE 33 2.005 -1.958 0.060 275 H ASN 34 H ASN 34 1.545 -4.849 -3.402 276 HA ASN 34 HA ASN 34 4.382 -4.307 -2.942 277 HB2 ASN 34 2HB ASN 34 3.034 -7.076 -3.397 278 HB3 ASN 34 3HB ASN 34 4.694 -6.481 -3.150 279 HD21 ASN 34 1HD2 ASN 34 2.698 -8.172 -1.579 280 HD22 ASN 34 2HD2 ASN 34 2.753 -7.497 0.015 281 H LYS 35 H LYS 35 2.415 -5.363 -5.698 282 HA LYS 35 HA LYS 35 4.620 -5.493 -7.559 283 HB2 LYS 35 2HB LYS 35 2.358 -6.399 -7.970 284 HB3 LYS 35 3HB LYS 35 1.733 -4.734 -8.034 285 HG2 LYS 35 2HG LYS 35 3.085 -4.262 -10.003 286 HG3 LYS 35 3HG LYS 35 3.830 -5.877 -9.911 287 HD2 LYS 35 2HD LYS 35 1.626 -6.914 -10.279 288 HD3 LYS 35 3HD LYS 35 0.883 -5.300 -10.372 289 HE2 LYS 35 2HE LYS 35 2.286 -4.769 -12.323 290 HE3 LYS 35 3HE LYS 35 3.020 -6.386 -12.233 291 HZ1 LYS 35 3HZ LYS 35 0.167 -5.824 -12.730 292 HZ2 LYS 35 1HZ LYS 35 1.264 -6.296 -13.868 293 HZ3 LYS 35 2HZ LYS 35 0.847 -7.324 -12.646 294 H ALA 36 H ALA 36 3.000 -2.865 -6.003 295 HA ALA 36 HA ALA 36 3.467 -0.936 -8.120 296 HB1 ALA 36 3HB ALA 36 2.785 -0.534 -5.187 297 HB2 ALA 36 1HB ALA 36 2.734 0.720 -6.446 298 HB3 ALA 36 2HB ALA 36 1.621 -0.667 -6.525 299 H LYS 37 H LYS 37 5.751 -1.523 -8.431 300 HA LYS 37 HA LYS 37 7.746 -0.944 -6.454 301 HB2 LYS 37 2HB LYS 37 7.982 -2.263 -8.602 302 HB3 LYS 37 3HB LYS 37 8.056 -0.696 -9.443 303 HG2 LYS 37 2HG LYS 37 10.075 -0.090 -8.256 304 HG3 LYS 37 3HG LYS 37 9.961 -1.544 -7.236 305 HD2 LYS 37 2HD LYS 37 10.183 -2.941 -9.299 306 HD3 LYS 37 3HD LYS 37 10.446 -1.448 -10.233 307 HE2 LYS 37 2HE LYS 37 12.428 -0.936 -8.906 308 HE3 LYS 37 3HE LYS 37 12.151 -2.377 -7.902 309 HZ1 LYS 37 3HZ LYS 37 12.745 -2.390 -10.792 310 HZ2 LYS 37 1HZ LYS 37 13.809 -2.777 -9.592 311 HZ3 LYS 37 2HZ LYS 37 12.487 -3.728 -9.860 312 H THR 38 H THR 38 5.630 1.147 -8.004 313 HA THR 38 HA THR 38 7.422 3.447 -7.305 314 HB THR 38 HB THR 38 5.932 4.862 -8.581 315 HG1 THR 38 HG1 THR 38 4.195 3.502 -9.779 316 HG21 THR 38 3HG2 THR 38 6.476 2.289 -10.115 317 HG22 THR 38 1HG2 THR 38 6.149 3.882 -10.838 318 HG23 THR 38 2HG2 THR 38 7.629 3.625 -9.883 319 H VAL 39 H VAL 39 6.741 5.075 -5.959 320 HA VAL 39 HA VAL 39 4.985 4.314 -3.766 321 HB VAL 39 HB VAL 39 6.128 7.010 -4.606 322 HG11 VAL 39 1HG1 VAL 39 5.490 7.752 -2.336 323 HG12 VAL 39 2HG1 VAL 39 4.059 7.273 -3.278 324 HG13 VAL 39 3HG1 VAL 39 4.716 6.177 -2.039 325 HG21 VAL 39 3HG2 VAL 39 7.832 5.406 -3.980 326 HG22 VAL 39 1HG2 VAL 39 7.671 6.673 -2.742 327 HG23 VAL 39 2HG2 VAL 39 6.974 5.059 -2.460 328 H GLU 40 H GLU 40 4.528 6.234 -6.693 329 HA GLU 40 HA GLU 40 1.936 7.248 -5.962 330 HB2 GLU 40 2HB GLU 40 3.250 6.726 -8.629 331 HB3 GLU 40 3HB GLU 40 1.660 7.504 -8.439 332 HG2 GLU 40 2HG GLU 40 2.761 9.397 -7.176 333 HG3 GLU 40 3HG GLU 40 4.262 8.456 -7.320 334 H GLY 41 H GLY 41 2.989 4.251 -7.506 335 HA2 GLY 41 2HA GLY 41 0.423 3.281 -8.252 336 HA3 GLY 41 3HA GLY 41 1.840 2.278 -7.864 337 H VAL 42 H VAL 42 2.285 2.897 -5.222 338 HA VAL 42 HA VAL 42 0.422 1.124 -3.922 339 HB VAL 42 HB VAL 42 2.420 3.113 -2.764 340 HG11 VAL 42 1HG1 VAL 42 2.183 1.809 -0.676 341 HG12 VAL 42 2HG1 VAL 42 0.638 2.558 -1.143 342 HG13 VAL 42 3HG1 VAL 42 0.912 0.824 -1.435 343 HG21 VAL 42 3HG2 VAL 42 3.465 1.401 -4.124 344 HG22 VAL 42 1HG2 VAL 42 3.818 1.142 -2.400 345 HG23 VAL 42 2HG2 VAL 42 2.604 0.132 -3.221 346 H ASN 43 H ASN 43 0.646 4.664 -3.946 347 HA ASN 43 HA ASN 43 -1.609 4.980 -2.133 348 HB2 ASN 43 2HB ASN 43 0.244 6.888 -2.678 349 HB3 ASN 43 3HB ASN 43 -0.710 6.750 -4.175 350 HD21 ASN 43 1HD2 ASN 43 -1.857 8.514 -4.350 351 HD22 ASN 43 2HD2 ASN 43 -2.853 9.212 -3.116 352 H ALA 44 H ALA 44 -1.222 4.994 -5.661 353 HA ALA 44 HA ALA 44 -3.918 5.799 -6.214 354 HB1 ALA 44 3HB ALA 44 -1.972 4.200 -7.912 355 HB2 ALA 44 1HB ALA 44 -3.463 4.976 -8.492 356 HB3 ALA 44 2HB ALA 44 -2.123 5.973 -7.878 357 H LEU 45 H LEU 45 -2.378 2.587 -6.029 358 HA LEU 45 HA LEU 45 -4.737 1.082 -6.631 359 HB2 LEU 45 2HB LEU 45 -2.413 0.523 -4.906 360 HB3 LEU 45 3HB LEU 45 -3.484 -0.796 -5.431 361 HG LEU 45 HG LEU 45 -2.094 0.929 -7.473 362 HD11 LEU 45 1HD1 LEU 45 -0.189 -0.703 -7.498 363 HD12 LEU 45 2HD1 LEU 45 -0.299 0.138 -5.934 364 HD13 LEU 45 3HD1 LEU 45 -0.900 -1.531 -6.093 365 HD21 LEU 45 3HD2 LEU 45 -3.836 -0.584 -8.219 366 HD22 LEU 45 1HD2 LEU 45 -2.255 -1.129 -8.830 367 HD23 LEU 45 2HD2 LEU 45 -3.010 -1.960 -7.449 368 H LYS 46 H LYS 46 -3.320 1.948 -3.466 369 HA LYS 46 HA LYS 46 -5.397 0.722 -1.922 370 HB2 LYS 46 2HB LYS 46 -3.064 1.600 -1.239 371 HB3 LYS 46 3HB LYS 46 -3.884 3.169 -1.062 372 HG2 LYS 46 2HG LYS 46 -5.556 1.846 0.440 373 HG3 LYS 46 3HG LYS 46 -4.256 0.633 0.526 374 HD2 LYS 46 2HD LYS 46 -3.928 2.025 2.412 375 HD3 LYS 46 3HD LYS 46 -2.714 2.549 1.219 376 HE2 LYS 46 2HE LYS 46 -4.176 4.398 0.535 377 HE3 LYS 46 3HE LYS 46 -5.401 3.871 1.710 378 HZ1 LYS 46 3HZ LYS 46 -2.680 4.798 2.371 379 HZ2 LYS 46 1HZ LYS 46 -4.064 5.672 2.567 380 HZ3 LYS 46 2HZ LYS 46 -3.816 4.310 3.462 381 H ASP 47 H ASP 47 -5.184 3.848 -3.498 382 HA ASP 47 HA ASP 47 -6.959 5.362 -1.952 383 HB2 ASP 47 2HB ASP 47 -5.622 6.075 -4.125 384 HB3 ASP 47 3HB ASP 47 -7.021 5.281 -4.891 385 H GLU 48 H GLU 48 -7.753 2.983 -4.463 386 HA GLU 48 HA GLU 48 -10.597 3.442 -4.394 387 HB2 GLU 48 2HB GLU 48 -8.930 1.042 -5.153 388 HB3 GLU 48 3HB GLU 48 -10.699 1.124 -5.335 389 HG2 GLU 48 2HG GLU 48 -10.425 3.034 -6.964 390 HG3 GLU 48 3HG GLU 48 -8.689 2.946 -6.591 391 H ILE 49 H ILE 49 -8.453 1.329 -2.530 392 HA ILE 49 HA ILE 49 -10.691 -0.035 -1.204 393 HB ILE 49 HB ILE 49 -7.725 0.073 -0.484 394 HG12 ILE 49 2HG1 ILE 49 -8.059 -0.789 -2.702 395 HG13 ILE 49 3HG1 ILE 49 -7.508 -2.046 -1.571 396 HG21 ILE 49 1HG2 ILE 49 -8.223 -1.981 0.799 397 HG22 ILE 49 2HG2 ILE 49 -9.185 -0.607 1.392 398 HG23 ILE 49 3HG2 ILE 49 -9.941 -1.841 0.357 399 HD11 ILE 49 3HD1 ILE 49 -10.360 -1.657 -2.544 400 HD12 ILE 49 1HD1 ILE 49 -9.235 -2.918 -3.096 401 HD13 ILE 49 2HD1 ILE 49 -9.808 -2.913 -1.411 402 H LEU 50 H LEU 50 -8.508 2.620 -0.390 403 HA LEU 50 HA LEU 50 -9.433 2.889 2.324 404 HB2 LEU 50 2HB LEU 50 -7.428 3.737 1.537 405 HB3 LEU 50 3HB LEU 50 -8.145 4.926 0.425 406 HG LEU 50 HG LEU 50 -9.252 5.979 2.453 407 HD11 LEU 50 1HD1 LEU 50 -8.182 5.492 4.670 408 HD12 LEU 50 2HD1 LEU 50 -8.969 4.045 4.000 409 HD13 LEU 50 3HD1 LEU 50 -7.201 4.224 3.900 410 HD21 LEU 50 3HD2 LEU 50 -7.329 6.985 1.371 411 HD22 LEU 50 1HD2 LEU 50 -7.219 7.208 3.134 412 HD23 LEU 50 2HD2 LEU 50 -6.222 5.971 2.329 413 H LYS 51 H LYS 51 -10.548 4.245 -0.745 414 HA LYS 51 HA LYS 51 -12.595 5.887 0.579 415 HB2 LYS 51 2HB LYS 51 -12.049 5.151 -2.297 416 HB3 LYS 51 3HB LYS 51 -13.404 6.181 -1.776 417 HG2 LYS 51 2HG LYS 51 -11.824 7.816 -0.856 418 HG3 LYS 51 3HG LYS 51 -10.458 6.779 -1.335 419 HD2 LYS 51 2HD LYS 51 -11.039 7.029 -3.684 420 HD3 LYS 51 3HD LYS 51 -12.493 7.962 -3.254 421 HE2 LYS 51 2HE LYS 51 -11.099 9.720 -2.282 422 HE3 LYS 51 3HE LYS 51 -9.635 8.782 -2.654 423 HZ1 LYS 51 3HZ LYS 51 -11.532 9.858 -4.640 424 HZ2 LYS 51 1HZ LYS 51 -10.043 10.483 -4.299 425 HZ3 LYS 51 2HZ LYS 51 -10.174 8.988 -4.986 426 H ALA 52 H ALA 52 -12.329 2.649 -0.632 427 HA ALA 52 HA ALA 52 -15.130 2.144 -0.993 428 HB1 ALA 52 3HB ALA 52 -12.884 0.241 -0.245 429 HB2 ALA 52 1HB ALA 52 -14.499 -0.232 -0.819 430 HB3 ALA 52 2HB ALA 52 -13.398 0.659 -1.896 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 17.223 -3.756 -4.635 2 H2 GLY 1 2H GLY 1 16.020 -2.927 -4.975 3 H3 GLY 1 3H GLY 1 17.386 -2.307 -4.988 4 HA2 GLY 1 2HA GLY 1 15.619 -2.347 -2.766 5 HA3 GLY 1 3HA GLY 1 17.045 -3.330 -2.361 6 H THR 2 H THR 2 16.293 -0.185 -3.920 7 HA THR 2 HA THR 2 18.772 0.986 -2.817 8 HB THR 2 HB THR 2 18.194 2.967 -4.077 9 HG1 THR 2 HG1 THR 2 16.116 2.909 -5.263 10 HG21 THR 2 3HG2 THR 2 17.466 0.485 -5.682 11 HG22 THR 2 1HG2 THR 2 17.974 2.049 -6.359 12 HG23 THR 2 2HG2 THR 2 19.114 1.085 -5.389 13 H ILE 3 H ILE 3 18.602 3.225 -1.874 14 HA ILE 3 HA ILE 3 17.139 3.100 0.607 15 HB ILE 3 HB ILE 3 18.473 5.421 -0.856 16 HG12 ILE 3 2HG1 ILE 3 19.344 3.931 1.602 17 HG13 ILE 3 3HG1 ILE 3 19.876 3.540 -0.051 18 HG21 ILE 3 1HG2 ILE 3 18.277 6.650 1.279 19 HG22 ILE 3 2HG2 ILE 3 16.673 6.248 0.624 20 HG23 ILE 3 3HG2 ILE 3 17.345 5.301 1.971 21 HD11 ILE 3 3HD1 ILE 3 20.321 6.182 1.383 22 HD12 ILE 3 1HD1 ILE 3 21.547 4.922 1.119 23 HD13 ILE 3 2HD1 ILE 3 20.852 5.791 -0.270 24 H ASP 4 H ASP 4 16.445 4.740 -2.452 25 HA ASP 4 HA ASP 4 14.018 5.986 -1.524 26 HB2 ASP 4 2HB ASP 4 14.908 5.188 -4.361 27 HB3 ASP 4 3HB ASP 4 13.406 5.989 -3.835 28 H GLU 5 H GLU 5 14.706 2.820 -2.961 29 HA GLU 5 HA GLU 5 11.912 2.016 -3.047 30 HB2 GLU 5 2HB GLU 5 14.505 0.467 -3.080 31 HB3 GLU 5 3HB GLU 5 12.895 -0.273 -3.253 32 HG2 GLU 5 2HG GLU 5 12.540 0.974 -5.396 33 HG3 GLU 5 3HG GLU 5 14.049 1.839 -5.024 34 H TRP 6 H TRP 6 14.412 1.992 -0.604 35 HA TRP 6 HA TRP 6 13.023 0.225 1.229 36 HB2 TRP 6 2HB TRP 6 15.169 2.351 1.617 37 HB3 TRP 6 3HB TRP 6 14.534 1.342 2.938 38 HD1 TRP 6 HD1 TRP 6 14.409 -1.066 0.648 39 HE1 TRP 6 HE1 TRP 6 16.685 -2.496 0.362 40 HE3 TRP 6 HE3 TRP 6 17.631 2.252 2.760 41 HZ2 TRP 6 HZ2 TRP 6 19.346 -2.104 0.995 42 HZ3 TRP 6 HZ3 TRP 6 19.985 1.727 2.913 43 HH2 TRP 6 HH2 TRP 6 20.890 -0.393 2.063 44 H LEU 7 H LEU 7 13.080 3.756 0.783 45 HA LEU 7 HA LEU 7 11.147 4.331 2.831 46 HB2 LEU 7 2HB LEU 7 11.714 5.595 0.229 47 HB3 LEU 7 3HB LEU 7 10.784 6.457 1.475 48 HG LEU 7 HG LEU 7 13.651 5.532 1.852 49 HD11 LEU 7 1HD1 LEU 7 14.298 7.924 1.464 50 HD12 LEU 7 2HD1 LEU 7 13.540 7.216 0.018 51 HD13 LEU 7 3HD1 LEU 7 12.604 8.302 1.072 52 HD21 LEU 7 3HD2 LEU 7 12.398 5.855 3.903 53 HD22 LEU 7 1HD2 LEU 7 13.626 7.133 3.734 54 HD23 LEU 7 2HD2 LEU 7 11.917 7.489 3.385 55 H LEU 8 H LEU 8 10.765 3.666 -0.655 56 HA LEU 8 HA LEU 8 7.921 3.666 -0.697 57 HB2 LEU 8 2HB LEU 8 9.366 3.612 -2.549 58 HB3 LEU 8 3HB LEU 8 9.868 1.923 -2.307 59 HG LEU 8 HG LEU 8 7.556 2.975 -3.694 60 HD11 LEU 8 1HD1 LEU 8 7.329 0.575 -4.391 61 HD12 LEU 8 2HD1 LEU 8 9.020 1.119 -4.489 62 HD13 LEU 8 3HD1 LEU 8 8.486 0.113 -3.122 63 HD21 LEU 8 3HD2 LEU 8 6.403 2.812 -1.568 64 HD22 LEU 8 1HD2 LEU 8 5.802 1.561 -2.682 65 HD23 LEU 8 2HD2 LEU 8 6.932 1.124 -1.377 66 H LYS 9 H LYS 9 10.204 1.080 0.161 67 HA LYS 9 HA LYS 9 8.251 -0.943 0.673 68 HB2 LYS 9 2HB LYS 9 10.713 -1.263 0.533 69 HB3 LYS 9 3HB LYS 9 10.862 -0.460 2.114 70 HG2 LYS 9 2HG LYS 9 8.963 -2.728 2.029 71 HG3 LYS 9 3HG LYS 9 10.666 -3.163 1.753 72 HD2 LYS 9 2HD LYS 9 9.573 -1.594 4.114 73 HD3 LYS 9 3HD LYS 9 10.097 -3.295 4.139 74 HE2 LYS 9 2HE LYS 9 12.372 -2.631 3.560 75 HE3 LYS 9 3HE LYS 9 11.866 -0.930 3.448 76 HZ1 LYS 9 3HZ LYS 9 11.800 -2.579 5.892 77 HZ2 LYS 9 1HZ LYS 9 12.912 -1.409 5.556 78 HZ3 LYS 9 2HZ LYS 9 11.330 -1.002 5.789 79 H GLU 10 H GLU 10 9.449 1.714 2.678 80 HA GLU 10 HA GLU 10 7.925 0.895 5.025 81 HB2 GLU 10 2HB GLU 10 9.283 3.449 4.177 82 HB3 GLU 10 3HB GLU 10 8.357 3.304 5.690 83 HG2 GLU 10 2HG GLU 10 10.876 1.674 4.993 84 HG3 GLU 10 3HG GLU 10 10.697 3.086 6.061 85 H ALA 11 H ALA 11 7.341 3.004 2.256 86 HA ALA 11 HA ALA 11 4.922 4.164 3.272 87 HB1 ALA 11 3HB ALA 11 5.806 3.691 0.404 88 HB2 ALA 11 1HB ALA 11 4.480 4.757 0.921 89 HB3 ALA 11 2HB ALA 11 6.156 5.133 1.385 90 H LYS 12 H LYS 12 5.611 1.182 1.511 91 HA LYS 12 HA LYS 12 2.921 0.447 0.901 92 HB2 LYS 12 2HB LYS 12 5.362 -1.211 1.542 93 HB3 LYS 12 3HB LYS 12 3.815 -1.887 0.978 94 HG2 LYS 12 2HG LYS 12 4.028 -0.905 -1.156 95 HG3 LYS 12 3HG LYS 12 5.292 0.220 -0.605 96 HD2 LYS 12 2HD LYS 12 6.862 -1.626 -0.326 97 HD3 LYS 12 3HD LYS 12 5.598 -2.796 -0.778 98 HE2 LYS 12 2HE LYS 12 5.445 -1.791 -3.006 99 HE3 LYS 12 3HE LYS 12 6.675 -0.588 -2.559 100 HZ1 LYS 12 3HZ LYS 12 7.099 -3.504 -2.693 101 HZ2 LYS 12 1HZ LYS 12 7.623 -2.407 -3.808 102 HZ3 LYS 12 2HZ LYS 12 8.241 -2.388 -2.279 103 H GLU 13 H GLU 13 4.900 -0.254 3.784 104 HA GLU 13 HA GLU 13 2.777 -1.724 5.106 105 HB2 GLU 13 2HB GLU 13 5.305 -0.409 6.102 106 HB3 GLU 13 3HB GLU 13 4.200 -1.350 7.132 107 HG2 GLU 13 2HG GLU 13 4.666 -3.396 5.711 108 HG3 GLU 13 3HG GLU 13 5.660 -2.315 4.709 109 H LYS 14 H LYS 14 3.878 1.644 5.205 110 HA LYS 14 HA LYS 14 2.274 2.342 7.509 111 HB2 LYS 14 2HB LYS 14 3.617 3.937 5.333 112 HB3 LYS 14 3HB LYS 14 2.670 4.692 6.636 113 HG2 LYS 14 2HG LYS 14 4.191 3.658 8.303 114 HG3 LYS 14 3HG LYS 14 5.163 2.989 6.971 115 HD2 LYS 14 2HD LYS 14 6.120 5.084 7.911 116 HD3 LYS 14 3HD LYS 14 5.713 5.213 6.184 117 HE2 LYS 14 2HE LYS 14 4.902 7.210 7.098 118 HE3 LYS 14 3HE LYS 14 3.462 6.173 6.975 119 HZ1 LYS 14 3HZ LYS 14 5.050 6.616 9.421 120 HZ2 LYS 14 1HZ LYS 14 3.577 7.285 9.099 121 HZ3 LYS 14 2HZ LYS 14 3.716 5.653 9.306 122 H ALA 15 H ALA 15 1.668 2.288 4.048 123 HA ALA 15 HA ALA 15 -0.596 4.079 4.166 124 HB1 ALA 15 3HB ALA 15 0.200 2.043 2.056 125 HB2 ALA 15 1HB ALA 15 -1.016 3.325 1.857 126 HB3 ALA 15 2HB ALA 15 0.693 3.752 2.104 127 H ILE 16 H ILE 16 -0.243 0.545 4.183 128 HA ILE 16 HA ILE 16 -3.125 0.090 3.922 129 HB ILE 16 HB ILE 16 -0.929 -1.828 4.828 130 HG12 ILE 16 2HG1 ILE 16 -0.203 -1.149 2.766 131 HG13 ILE 16 3HG1 ILE 16 -1.113 -2.644 2.449 132 HG21 ILE 16 1HG2 ILE 16 -2.517 -3.566 4.072 133 HG22 ILE 16 2HG2 ILE 16 -3.230 -2.562 5.355 134 HG23 ILE 16 3HG2 ILE 16 -3.701 -2.304 3.659 135 HD11 ILE 16 3HD1 ILE 16 -2.135 0.184 2.017 136 HD12 ILE 16 1HD1 ILE 16 -1.595 -0.933 0.744 137 HD13 ILE 16 2HD1 ILE 16 -3.046 -1.312 1.702 138 H GLU 17 H GLU 17 -0.955 0.635 6.562 139 HA GLU 17 HA GLU 17 -2.359 -0.520 8.705 140 HB2 GLU 17 2HB GLU 17 -0.210 0.704 8.840 141 HB3 GLU 17 3HB GLU 17 -1.104 2.229 8.627 142 HG2 GLU 17 2HG GLU 17 -2.305 1.803 10.812 143 HG3 GLU 17 3HG GLU 17 -1.438 0.250 10.842 144 H GLU 18 H GLU 18 -3.119 2.431 6.908 145 HA GLU 18 HA GLU 18 -5.353 3.209 8.560 146 HB2 GLU 18 2HB GLU 18 -4.760 3.686 5.635 147 HB3 GLU 18 3HB GLU 18 -6.071 4.465 6.556 148 HG2 GLU 18 2HG GLU 18 -3.056 4.848 7.050 149 HG3 GLU 18 3HG GLU 18 -4.248 5.940 6.307 150 H LEU 19 H LEU 19 -5.050 1.069 5.751 151 HA LEU 19 HA LEU 19 -7.863 0.525 5.496 152 HB2 LEU 19 2HB LEU 19 -5.328 -0.554 4.674 153 HB3 LEU 19 3HB LEU 19 -6.610 -1.785 4.594 154 HG LEU 19 HG LEU 19 -7.850 -0.523 2.991 155 HD11 LEU 19 1HD1 LEU 19 -7.122 1.756 2.239 156 HD12 LEU 19 2HD1 LEU 19 -7.474 1.734 3.983 157 HD13 LEU 19 3HD1 LEU 19 -5.787 1.701 3.415 158 HD21 LEU 19 3HD2 LEU 19 -6.001 -1.786 2.061 159 HD22 LEU 19 1HD2 LEU 19 -6.256 -0.299 1.118 160 HD23 LEU 19 2HD2 LEU 19 -4.908 -0.399 2.276 161 H LYS 20 H LYS 20 -5.303 -0.948 7.450 162 HA LYS 20 HA LYS 20 -6.912 -3.031 8.590 163 HB2 LYS 20 2HB LYS 20 -4.619 -1.462 9.779 164 HB3 LYS 20 3HB LYS 20 -5.298 -2.972 10.435 165 HG2 LYS 20 2HG LYS 20 -4.653 -4.121 8.311 166 HG3 LYS 20 3HG LYS 20 -3.857 -2.618 7.786 167 HD2 LYS 20 2HD LYS 20 -2.420 -2.715 9.817 168 HD3 LYS 20 3HD LYS 20 -3.166 -4.276 10.235 169 HE2 LYS 20 2HE LYS 20 -2.348 -5.256 8.157 170 HE3 LYS 20 3HE LYS 20 -1.662 -3.689 7.666 171 HZ1 LYS 20 3HZ LYS 20 -0.829 -5.266 10.017 172 HZ2 LYS 20 1HZ LYS 20 0.009 -5.140 8.601 173 HZ3 LYS 20 2HZ LYS 20 -0.191 -3.814 9.562 174 H LYS 21 H LYS 21 -6.448 0.368 9.502 175 HA LYS 21 HA LYS 21 -8.193 0.274 11.799 176 HB2 LYS 21 2HB LYS 21 -7.417 2.505 9.919 177 HB3 LYS 21 3HB LYS 21 -8.398 2.727 11.386 178 HG2 LYS 21 2HG LYS 21 -6.553 1.986 12.784 179 HG3 LYS 21 3HG LYS 21 -5.572 1.617 11.346 180 HD2 LYS 21 2HD LYS 21 -5.771 4.054 10.707 181 HD3 LYS 21 3HD LYS 21 -6.512 4.339 12.300 182 HE2 LYS 21 2HE LYS 21 -4.526 3.603 13.434 183 HE3 LYS 21 3HE LYS 21 -3.794 3.060 11.907 184 HZ1 LYS 21 3HZ LYS 21 -4.422 5.856 12.608 185 HZ2 LYS 21 1HZ LYS 21 -2.917 5.182 12.608 186 HZ3 LYS 21 2HZ LYS 21 -3.744 5.352 11.191 187 H ALA 22 H ALA 22 -8.769 0.420 8.362 188 HA ALA 22 HA ALA 22 -11.528 1.374 8.735 189 HB1 ALA 22 3HB ALA 22 -10.036 0.491 6.241 190 HB2 ALA 22 1HB ALA 22 -11.650 1.238 6.278 191 HB3 ALA 22 2HB ALA 22 -10.228 2.167 6.812 192 H GLY 23 H GLY 23 -9.960 -1.574 8.952 193 HA2 GLY 23 2HA GLY 23 -11.035 -3.573 9.593 194 HA3 GLY 23 3HA GLY 23 -12.576 -2.937 8.972 195 H ILE 24 H ILE 24 -9.815 -2.598 6.930 196 HA ILE 24 HA ILE 24 -10.951 -4.518 4.985 197 HB ILE 24 HB ILE 24 -8.432 -2.795 4.855 198 HG12 ILE 24 2HG1 ILE 24 -10.403 -1.443 5.084 199 HG13 ILE 24 3HG1 ILE 24 -9.679 -1.298 3.466 200 HG21 ILE 24 1HG2 ILE 24 -8.558 -3.241 2.428 201 HG22 ILE 24 2HG2 ILE 24 -8.379 -4.754 3.347 202 HG23 ILE 24 3HG2 ILE 24 -9.968 -4.293 2.693 203 HD11 ILE 24 3HD1 ILE 24 -12.130 -2.947 4.174 204 HD12 ILE 24 1HD1 ILE 24 -12.137 -1.380 3.335 205 HD13 ILE 24 2HD1 ILE 24 -11.404 -2.802 2.556 206 H THR 25 H THR 25 -10.433 -6.492 4.641 207 HA THR 25 HA THR 25 -7.974 -7.528 6.016 208 HB THR 25 HB THR 25 -9.215 -9.626 6.443 209 HG1 THR 25 HG1 THR 25 -11.517 -9.575 6.110 210 HG21 THR 25 3HG2 THR 25 -10.642 -7.155 7.506 211 HG22 THR 25 1HG2 THR 25 -10.707 -8.782 8.222 212 HG23 THR 25 2HG2 THR 25 -9.171 -7.882 8.194 213 H SER 26 H SER 26 -9.094 -6.809 3.108 214 HA SER 26 HA SER 26 -8.845 -9.310 1.603 215 HB2 SER 26 2HB SER 26 -10.220 -7.628 0.817 216 HB3 SER 26 3HB SER 26 -8.864 -6.481 0.743 217 HG SER 26 HG SER 26 -9.156 -8.885 -0.734 218 H ASP 27 H ASP 27 -6.889 -10.336 1.787 219 HA ASP 27 HA ASP 27 -4.344 -8.928 1.751 220 HB2 ASP 27 2HB ASP 27 -5.027 -11.899 1.329 221 HB3 ASP 27 3HB ASP 27 -3.443 -11.089 1.269 222 H TYR 28 H TYR 28 -6.540 -10.080 -0.680 223 HA TYR 28 HA TYR 28 -4.787 -10.311 -2.899 224 HB2 TYR 28 2HB TYR 28 -7.114 -10.952 -3.005 225 HB3 TYR 28 3HB TYR 28 -7.618 -9.265 -2.731 226 HD1 TYR 28 HD1 TYR 28 -5.931 -11.530 -5.157 227 HD2 TYR 28 HD2 TYR 28 -7.784 -7.738 -4.546 228 HE1 TYR 28 HE1 TYR 28 -5.908 -11.133 -7.602 229 HE2 TYR 28 HE2 TYR 28 -7.769 -7.326 -6.983 230 HH TYR 28 HH TYR 28 -7.209 -8.138 -9.036 231 H TYR 29 H TYR 29 -6.602 -7.409 -1.852 232 HA TYR 29 HA TYR 29 -5.263 -5.729 -3.812 233 HB2 TYR 29 2HB TYR 29 -6.930 -5.114 -1.366 234 HB3 TYR 29 3HB TYR 29 -6.303 -3.882 -2.489 235 HD1 TYR 29 HD2 TYR 29 -6.885 -4.379 -5.051 236 HD2 TYR 29 HD1 TYR 29 -9.099 -5.870 -1.725 237 HE1 TYR 29 HE2 TYR 29 -8.853 -4.694 -6.514 238 HE2 TYR 29 HE1 TYR 29 -11.080 -6.193 -3.177 239 HH TYR 29 HH TYR 29 -11.021 -5.375 -6.650 240 H PHE 30 H PHE 30 -4.679 -6.562 -0.447 241 HA PHE 30 HA PHE 30 -2.594 -4.649 0.045 242 HB2 PHE 30 2HB PHE 30 -3.043 -7.466 1.122 243 HB3 PHE 30 3HB PHE 30 -1.812 -6.339 1.736 244 HD1 PHE 30 HD2 PHE 30 -4.683 -4.561 0.720 245 HD2 PHE 30 HD1 PHE 30 -3.110 -6.975 3.874 246 HE1 PHE 30 HE2 PHE 30 -6.341 -3.597 2.282 247 HE2 PHE 30 HE1 PHE 30 -4.768 -6.015 5.438 248 HZ PHE 30 HZ PHE 30 -6.383 -4.326 4.641 249 H ASP 31 H ASP 31 -2.676 -7.637 -1.781 250 HA ASP 31 HA ASP 31 0.204 -7.889 -2.046 251 HB2 ASP 31 2HB ASP 31 -1.622 -9.737 -2.529 252 HB3 ASP 31 3HB ASP 31 -1.862 -8.717 -3.969 253 H LEU 32 H LEU 32 -2.263 -6.037 -3.717 254 HA LEU 32 HA LEU 32 -0.857 -5.790 -6.208 255 HB2 LEU 32 2HB LEU 32 -3.095 -4.653 -4.819 256 HB3 LEU 32 3HB LEU 32 -2.492 -3.533 -6.064 257 HG LEU 32 HG LEU 32 -2.723 -5.415 -7.733 258 HD11 LEU 32 1HD1 LEU 32 -4.253 -7.299 -7.097 259 HD12 LEU 32 2HD1 LEU 32 -2.786 -7.289 -6.090 260 HD13 LEU 32 3HD1 LEU 32 -4.320 -6.664 -5.436 261 HD21 LEU 32 3HD2 LEU 32 -4.345 -3.617 -7.618 262 HD22 LEU 32 1HD2 LEU 32 -5.166 -5.153 -7.985 263 HD23 LEU 32 2HD2 LEU 32 -5.245 -4.472 -6.342 264 H ILE 33 H ILE 33 -0.774 -3.913 -3.231 265 HA ILE 33 HA ILE 33 0.797 -1.728 -4.349 266 HB ILE 33 HB ILE 33 1.262 -1.172 -1.968 267 HG12 ILE 33 2HG1 ILE 33 -0.465 -3.389 -1.035 268 HG13 ILE 33 3HG1 ILE 33 1.217 -3.760 -1.479 269 HG21 ILE 33 1HG2 ILE 33 -1.074 -0.792 -1.251 270 HG22 ILE 33 2HG2 ILE 33 -0.867 -0.426 -2.980 271 HG23 ILE 33 3HG2 ILE 33 -1.639 -1.949 -2.480 272 HD11 ILE 33 3HD1 ILE 33 0.330 -1.692 0.565 273 HD12 ILE 33 1HD1 ILE 33 1.015 -3.292 0.931 274 HD13 ILE 33 2HD1 ILE 33 2.014 -2.062 0.120 275 H ASN 34 H ASN 34 1.552 -4.932 -3.389 276 HA ASN 34 HA ASN 34 4.386 -4.406 -2.896 277 HB2 ASN 34 2HB ASN 34 3.028 -7.165 -3.381 278 HB3 ASN 34 3HB ASN 34 4.689 -6.580 -3.118 279 HD21 ASN 34 1HD2 ASN 34 2.666 -8.268 -1.573 280 HD22 ASN 34 2HD2 ASN 34 2.716 -7.604 0.026 281 H LYS 35 H LYS 35 2.439 -5.440 -5.678 282 HA LYS 35 HA LYS 35 4.655 -5.558 -7.524 283 HB2 LYS 35 2HB LYS 35 2.391 -6.445 -7.962 284 HB3 LYS 35 3HB LYS 35 1.777 -4.775 -8.009 285 HG2 LYS 35 2HG LYS 35 3.144 -4.287 -9.962 286 HG3 LYS 35 3HG LYS 35 3.878 -5.906 -9.886 287 HD2 LYS 35 2HD LYS 35 1.670 -6.926 -10.281 288 HD3 LYS 35 3HD LYS 35 0.938 -5.305 -10.360 289 HE2 LYS 35 2HE LYS 35 2.356 -4.761 -12.295 290 HE3 LYS 35 3HE LYS 35 3.083 -6.381 -12.218 291 HZ1 LYS 35 3HZ LYS 35 0.235 -5.802 -12.729 292 HZ2 LYS 35 1HZ LYS 35 1.338 -6.266 -13.864 293 HZ3 LYS 35 2HZ LYS 35 0.909 -7.305 -12.658 294 H ALA 36 H ALA 36 3.011 -2.934 -5.971 295 HA ALA 36 HA ALA 36 3.553 -0.984 -8.049 296 HB1 ALA 36 3HB ALA 36 2.795 -0.612 -5.132 297 HB2 ALA 36 1HB ALA 36 2.791 0.658 -6.377 298 HB3 ALA 36 2HB ALA 36 1.667 -0.717 -6.504 299 H LYS 37 H LYS 37 5.841 -1.590 -8.305 300 HA LYS 37 HA LYS 37 7.785 -1.055 -6.266 301 HB2 LYS 37 2HB LYS 37 8.057 -2.343 -8.437 302 HB3 LYS 37 3HB LYS 37 8.193 -0.759 -9.238 303 HG2 LYS 37 2HG LYS 37 10.180 -0.223 -7.966 304 HG3 LYS 37 3HG LYS 37 10.002 -1.702 -6.991 305 HD2 LYS 37 2HD LYS 37 10.264 -3.045 -9.087 306 HD3 LYS 37 3HD LYS 37 10.597 -1.533 -9.964 307 HE2 LYS 37 2HE LYS 37 12.541 -1.111 -8.552 308 HE3 LYS 37 3HE LYS 37 12.191 -2.571 -7.600 309 HZ1 LYS 37 3HZ LYS 37 12.892 -2.519 -10.465 310 HZ2 LYS 37 1HZ LYS 37 13.901 -2.965 -9.239 311 HZ3 LYS 37 2HZ LYS 37 12.567 -3.874 -9.583 312 H THR 38 H THR 38 5.730 1.075 -7.839 313 HA THR 38 HA THR 38 7.529 3.351 -7.080 314 HB THR 38 HB THR 38 6.082 4.791 -8.377 315 HG1 THR 38 HG1 THR 38 4.497 2.517 -9.042 316 HG21 THR 38 3HG2 THR 38 6.630 2.225 -9.920 317 HG22 THR 38 1HG2 THR 38 6.336 3.826 -10.637 318 HG23 THR 38 2HG2 THR 38 7.793 3.544 -9.652 319 H VAL 39 H VAL 39 6.825 4.983 -5.745 320 HA VAL 39 HA VAL 39 5.012 4.230 -3.596 321 HB VAL 39 HB VAL 39 6.183 6.922 -4.412 322 HG11 VAL 39 1HG1 VAL 39 5.491 7.670 -2.159 323 HG12 VAL 39 2HG1 VAL 39 4.083 7.194 -3.137 324 HG13 VAL 39 3HG1 VAL 39 4.705 6.098 -1.879 325 HG21 VAL 39 3HG2 VAL 39 7.866 5.315 -3.741 326 HG22 VAL 39 1HG2 VAL 39 7.677 6.584 -2.508 327 HG23 VAL 39 2HG2 VAL 39 6.970 4.973 -2.241 328 H GLU 40 H GLU 40 4.633 6.153 -6.532 329 HA GLU 40 HA GLU 40 2.035 7.187 -5.849 330 HB2 GLU 40 2HB GLU 40 3.405 6.682 -8.490 331 HB3 GLU 40 3HB GLU 40 1.818 7.472 -8.329 332 HG2 GLU 40 2HG GLU 40 2.905 9.341 -7.020 333 HG3 GLU 40 3HG GLU 40 4.402 8.389 -7.137 334 H GLY 41 H GLY 41 3.094 4.206 -7.427 335 HA2 GLY 41 2HA GLY 41 0.532 3.256 -8.213 336 HA3 GLY 41 3HA GLY 41 1.940 2.242 -7.818 337 H VAL 42 H VAL 42 2.354 2.826 -5.164 338 HA VAL 42 HA VAL 42 0.458 1.065 -3.899 339 HB VAL 42 HB VAL 42 2.460 3.028 -2.707 340 HG11 VAL 42 1HG1 VAL 42 2.180 1.724 -0.625 341 HG12 VAL 42 2HG1 VAL 42 0.649 2.491 -1.110 342 HG13 VAL 42 3HG1 VAL 42 0.908 0.754 -1.404 343 HG21 VAL 42 3HG2 VAL 42 3.503 1.307 -4.056 344 HG22 VAL 42 1HG2 VAL 42 3.830 1.040 -2.327 345 HG23 VAL 42 2HG2 VAL 42 2.616 0.045 -3.167 346 H ASN 43 H ASN 43 0.714 4.602 -3.903 347 HA ASN 43 HA ASN 43 -1.557 4.931 -2.111 348 HB2 ASN 43 2HB ASN 43 0.318 6.826 -2.637 349 HB3 ASN 43 3HB ASN 43 -0.627 6.700 -4.140 350 HD21 ASN 43 1HD2 ASN 43 -1.763 8.470 -4.321 351 HD22 ASN 43 2HD2 ASN 43 -2.761 9.173 -3.092 352 H ALA 44 H ALA 44 -1.138 4.957 -5.637 353 HA ALA 44 HA ALA 44 -3.824 5.779 -6.210 354 HB1 ALA 44 3HB ALA 44 -1.874 4.172 -7.897 355 HB2 ALA 44 1HB ALA 44 -3.357 4.959 -8.487 356 HB3 ALA 44 2HB ALA 44 -2.015 5.947 -7.859 357 H LEU 45 H LEU 45 -2.306 2.554 -6.050 358 HA LEU 45 HA LEU 45 -4.673 1.064 -6.645 359 HB2 LEU 45 2HB LEU 45 -2.357 0.494 -4.912 360 HB3 LEU 45 3HB LEU 45 -3.436 -0.820 -5.436 361 HG LEU 45 HG LEU 45 -2.030 0.892 -7.479 362 HD11 LEU 45 1HD1 LEU 45 -0.136 -0.755 -7.496 363 HD12 LEU 45 2HD1 LEU 45 -0.245 0.091 -5.935 364 HD13 LEU 45 3HD1 LEU 45 -0.855 -1.573 -6.090 365 HD21 LEU 45 3HD2 LEU 45 -3.780 -0.612 -8.226 366 HD22 LEU 45 1HD2 LEU 45 -2.202 -1.169 -8.832 367 HD23 LEU 45 2HD2 LEU 45 -2.967 -1.992 -7.449 368 H LYS 46 H LYS 46 -3.259 1.926 -3.476 369 HA LYS 46 HA LYS 46 -5.338 0.688 -1.944 370 HB2 LYS 46 2HB LYS 46 -3.001 1.551 -1.254 371 HB3 LYS 46 3HB LYS 46 -3.816 3.119 -1.057 372 HG2 LYS 46 2HG LYS 46 -5.490 1.781 0.430 373 HG3 LYS 46 3HG LYS 46 -4.191 0.567 0.502 374 HD2 LYS 46 2HD LYS 46 -3.886 1.953 2.407 375 HD3 LYS 46 3HD LYS 46 -2.644 2.448 1.231 376 HE2 LYS 46 2HE LYS 46 -4.076 4.319 0.514 377 HE3 LYS 46 3HE LYS 46 -5.304 3.830 1.704 378 HZ1 LYS 46 3HZ LYS 46 -2.559 4.707 2.335 379 HZ2 LYS 46 1HZ LYS 46 -3.923 5.612 2.531 380 HZ3 LYS 46 2HZ LYS 46 -3.697 4.254 3.439 381 H ASP 47 H ASP 47 -5.119 3.826 -3.492 382 HA ASP 47 HA ASP 47 -6.886 5.331 -1.926 383 HB2 ASP 47 2HB ASP 47 -5.542 6.045 -4.107 384 HB3 ASP 47 3HB ASP 47 -6.970 5.295 -4.862 385 H GLU 48 H GLU 48 -7.682 2.966 -4.445 386 HA GLU 48 HA GLU 48 -10.524 3.444 -4.391 387 HB2 GLU 48 2HB GLU 48 -8.869 1.036 -5.148 388 HB3 GLU 48 3HB GLU 48 -10.636 1.129 -5.339 389 HG2 GLU 48 2HG GLU 48 -10.339 3.046 -6.960 390 HG3 GLU 48 3HG GLU 48 -8.605 2.939 -6.580 391 H ILE 49 H ILE 49 -8.394 1.364 -2.489 392 HA ILE 49 HA ILE 49 -10.644 0.021 -1.151 393 HB ILE 49 HB ILE 49 -7.680 0.116 -0.423 394 HG12 ILE 49 2HG1 ILE 49 -8.011 -0.758 -2.643 395 HG13 ILE 49 3HG1 ILE 49 -7.459 -2.004 -1.500 396 HG21 ILE 49 1HG2 ILE 49 -8.198 -1.927 0.868 397 HG22 ILE 49 2HG2 ILE 49 -9.157 -0.545 1.446 398 HG23 ILE 49 3HG2 ILE 49 -9.913 -1.780 0.412 399 HD11 ILE 49 3HD1 ILE 49 -10.311 -1.628 -2.481 400 HD12 ILE 49 1HD1 ILE 49 -9.182 -2.892 -3.020 401 HD13 ILE 49 2HD1 ILE 49 -9.759 -2.874 -1.337 402 H LEU 50 H LEU 50 -8.387 2.625 -0.339 403 HA LEU 50 HA LEU 50 -9.346 2.959 2.352 404 HB2 LEU 50 2HB LEU 50 -7.305 3.738 1.562 405 HB3 LEU 50 3HB LEU 50 -7.987 4.949 0.452 406 HG LEU 50 HG LEU 50 -9.064 6.032 2.478 407 HD11 LEU 50 1HD1 LEU 50 -8.015 5.510 4.697 408 HD12 LEU 50 2HD1 LEU 50 -8.843 4.086 4.023 409 HD13 LEU 50 3HD1 LEU 50 -7.071 4.213 3.927 410 HD21 LEU 50 3HD2 LEU 50 -7.111 6.982 1.404 411 HD22 LEU 50 1HD2 LEU 50 -6.998 7.199 3.166 412 HD23 LEU 50 2HD2 LEU 50 -6.038 5.935 2.361 413 H LYS 51 H LYS 51 -10.450 4.197 -0.753 414 HA LYS 51 HA LYS 51 -12.548 5.795 0.644 415 HB2 LYS 51 2HB LYS 51 -11.694 5.641 -2.250 416 HB3 LYS 51 3HB LYS 51 -13.036 6.633 -1.633 417 HG2 LYS 51 2HG LYS 51 -11.446 7.901 -0.233 418 HG3 LYS 51 3HG LYS 51 -10.108 6.922 -0.879 419 HD2 LYS 51 2HD LYS 51 -10.592 7.737 -3.145 420 HD3 LYS 51 3HD LYS 51 -11.951 8.698 -2.516 421 HE2 LYS 51 2HE LYS 51 -10.416 10.012 -1.145 422 HE3 LYS 51 3HE LYS 51 -9.046 9.026 -1.705 423 HZ1 LYS 51 3HZ LYS 51 -10.734 10.742 -3.410 424 HZ2 LYS 51 1HZ LYS 51 -9.202 11.097 -2.910 425 HZ3 LYS 51 2HZ LYS 51 -9.463 9.827 -3.930 426 H ALA 52 H ALA 52 -12.321 2.732 0.187 427 HA ALA 52 HA ALA 52 -14.508 2.030 -1.526 428 HB1 ALA 52 3HB ALA 52 -13.342 0.546 0.855 429 HB2 ALA 52 1HB ALA 52 -14.427 -0.147 -0.372 430 HB3 ALA 52 2HB ALA 52 -12.801 0.408 -0.835 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 18.331 -3.947 -3.187 2 H2 GLY 1 2H GLY 1 17.006 -3.401 -3.630 3 H3 GLY 1 3H GLY 1 18.255 -2.597 -3.836 4 HA2 GLY 1 2HA GLY 1 16.554 -2.441 -1.567 5 HA3 GLY 1 3HA GLY 1 18.126 -3.088 -1.042 6 H THR 2 H THR 2 16.857 -0.492 -3.174 7 HA THR 2 HA THR 2 19.121 1.258 -2.422 8 HB THR 2 HB THR 2 18.242 2.811 -4.051 9 HG1 THR 2 HG1 THR 2 16.204 2.193 -5.133 10 HG21 THR 2 3HG2 THR 2 17.921 -0.036 -5.079 11 HG22 THR 2 1HG2 THR 2 18.178 1.409 -6.084 12 HG23 THR 2 2HG2 THR 2 19.452 0.861 -4.968 13 H ILE 3 H ILE 3 18.622 3.571 -1.927 14 HA ILE 3 HA ILE 3 17.131 3.745 0.538 15 HB ILE 3 HB ILE 3 18.179 5.886 -1.366 16 HG12 ILE 3 2HG1 ILE 3 19.179 5.049 1.340 17 HG13 ILE 3 3HG1 ILE 3 19.801 4.413 -0.201 18 HG21 ILE 3 1HG2 ILE 3 17.767 7.478 0.479 19 HG22 ILE 3 2HG2 ILE 3 16.248 6.739 -0.081 20 HG23 ILE 3 3HG2 ILE 3 17.007 6.181 1.429 21 HD11 ILE 3 3HD1 ILE 3 19.851 7.323 0.671 22 HD12 ILE 3 1HD1 ILE 3 21.241 6.214 0.663 23 HD13 ILE 3 2HD1 ILE 3 20.472 6.686 -0.871 24 H ASP 4 H ASP 4 16.303 4.627 -2.788 25 HA ASP 4 HA ASP 4 13.723 5.726 -2.124 26 HB2 ASP 4 2HB ASP 4 14.764 4.488 -4.743 27 HB3 ASP 4 3HB ASP 4 13.167 5.190 -4.385 28 H GLU 5 H GLU 5 14.819 2.443 -2.887 29 HA GLU 5 HA GLU 5 12.154 1.294 -2.814 30 HB2 GLU 5 2HB GLU 5 14.920 0.126 -2.500 31 HB3 GLU 5 3HB GLU 5 13.426 -0.842 -2.489 32 HG2 GLU 5 2HG GLU 5 12.957 -0.157 -4.856 33 HG3 GLU 5 3HG GLU 5 14.340 0.949 -4.698 34 H TRP 6 H TRP 6 14.597 2.014 -0.398 35 HA TRP 6 HA TRP 6 13.328 0.552 1.755 36 HB2 TRP 6 2HB TRP 6 15.241 2.923 1.715 37 HB3 TRP 6 3HB TRP 6 14.686 2.125 3.205 38 HD1 TRP 6 HD1 TRP 6 14.855 -0.695 1.499 39 HE1 TRP 6 HE1 TRP 6 17.277 -1.896 1.470 40 HE3 TRP 6 HE3 TRP 6 17.686 3.336 2.749 41 HZ2 TRP 6 HZ2 TRP 6 19.878 -1.086 1.930 42 HZ3 TRP 6 HZ3 TRP 6 20.085 3.120 2.950 43 HH2 TRP 6 HH2 TRP 6 21.222 0.977 2.557 44 H LEU 7 H LEU 7 13.082 3.914 0.611 45 HA LEU 7 HA LEU 7 11.125 4.720 2.559 46 HB2 LEU 7 2HB LEU 7 11.619 5.546 -0.227 47 HB3 LEU 7 3HB LEU 7 10.626 6.551 0.854 48 HG LEU 7 HG LEU 7 13.540 5.889 1.391 49 HD11 LEU 7 1HD1 LEU 7 14.053 8.201 0.562 50 HD12 LEU 7 2HD1 LEU 7 13.357 7.192 -0.727 51 HD13 LEU 7 3HD1 LEU 7 12.345 8.399 0.103 52 HD21 LEU 7 3HD2 LEU 7 12.243 6.516 3.341 53 HD22 LEU 7 1HD2 LEU 7 13.398 7.809 2.938 54 HD23 LEU 7 2HD2 LEU 7 11.675 7.991 2.525 55 H LEU 8 H LEU 8 10.799 3.392 -0.729 56 HA LEU 8 HA LEU 8 7.926 3.408 -0.737 57 HB2 LEU 8 2HB LEU 8 8.929 3.244 -2.690 58 HB3 LEU 8 3HB LEU 8 10.058 1.919 -2.321 59 HG LEU 8 HG LEU 8 8.153 0.344 -2.212 60 HD11 LEU 8 1HD1 LEU 8 5.913 1.096 -3.055 61 HD12 LEU 8 2HD1 LEU 8 6.387 1.991 -1.593 62 HD13 LEU 8 3HD1 LEU 8 6.540 2.755 -3.193 63 HD21 LEU 8 3HD2 LEU 8 9.384 0.577 -4.287 64 HD22 LEU 8 1HD2 LEU 8 7.664 0.274 -4.632 65 HD23 LEU 8 2HD2 LEU 8 8.330 1.917 -4.796 66 H LYS 9 H LYS 9 10.290 0.964 0.290 67 HA LYS 9 HA LYS 9 8.464 -1.080 1.025 68 HB2 LYS 9 2HB LYS 9 10.899 -1.325 1.017 69 HB3 LYS 9 3HB LYS 9 11.013 -0.209 2.398 70 HG2 LYS 9 2HG LYS 9 9.631 -1.831 3.728 71 HG3 LYS 9 3HG LYS 9 9.743 -2.966 2.362 72 HD2 LYS 9 2HD LYS 9 11.424 -3.446 4.114 73 HD3 LYS 9 3HD LYS 9 12.171 -3.017 2.556 74 HE2 LYS 9 2HE LYS 9 12.425 -0.677 3.384 75 HE3 LYS 9 3HE LYS 9 11.815 -1.211 4.966 76 HZ1 LYS 9 3HZ LYS 9 14.250 -2.219 3.639 77 HZ2 LYS 9 1HZ LYS 9 14.215 -1.166 4.909 78 HZ3 LYS 9 2HZ LYS 9 13.683 -2.715 5.107 79 H GLU 10 H GLU 10 9.434 1.848 2.773 80 HA GLU 10 HA GLU 10 7.761 1.223 5.086 81 HB2 GLU 10 2HB GLU 10 9.070 3.759 4.100 82 HB3 GLU 10 3HB GLU 10 8.131 3.640 5.607 83 HG2 GLU 10 2HG GLU 10 9.814 1.987 6.506 84 HG3 GLU 10 3HG GLU 10 10.584 2.084 4.906 85 H ALA 11 H ALA 11 7.357 3.008 2.073 86 HA ALA 11 HA ALA 11 4.851 4.214 2.727 87 HB1 ALA 11 3HB ALA 11 5.923 3.308 0.033 88 HB2 ALA 11 1HB ALA 11 4.550 4.408 0.289 89 HB3 ALA 11 2HB ALA 11 6.187 4.898 0.785 90 H LYS 12 H LYS 12 5.681 1.030 1.411 91 HA LYS 12 HA LYS 12 2.972 0.240 0.824 92 HB2 LYS 12 2HB LYS 12 5.448 -1.371 1.456 93 HB3 LYS 12 3HB LYS 12 3.907 -2.058 0.892 94 HG2 LYS 12 2HG LYS 12 4.134 -1.142 -1.251 95 HG3 LYS 12 3HG LYS 12 5.325 0.065 -0.711 96 HD2 LYS 12 2HD LYS 12 7.009 -1.651 -0.411 97 HD3 LYS 12 3HD LYS 12 5.823 -2.928 -0.773 98 HE2 LYS 12 2HE LYS 12 5.524 -1.906 -3.043 99 HE3 LYS 12 3HE LYS 12 6.863 -0.799 -2.664 100 HZ1 LYS 12 3HZ LYS 12 7.044 -3.743 -2.749 101 HZ2 LYS 12 1HZ LYS 12 7.615 -2.713 -3.904 102 HZ3 LYS 12 2HZ LYS 12 8.287 -2.716 -2.398 103 H GLU 13 H GLU 13 5.040 -0.221 3.682 104 HA GLU 13 HA GLU 13 3.050 -1.793 5.098 105 HB2 GLU 13 2HB GLU 13 5.503 -0.278 5.996 106 HB3 GLU 13 3HB GLU 13 4.487 -1.265 7.075 107 HG2 GLU 13 2HG GLU 13 5.080 -3.318 5.737 108 HG3 GLU 13 3HG GLU 13 5.930 -2.211 4.634 109 H LYS 14 H LYS 14 3.938 1.645 5.081 110 HA LYS 14 HA LYS 14 2.402 2.250 7.461 111 HB2 LYS 14 2HB LYS 14 3.627 3.915 5.270 112 HB3 LYS 14 3HB LYS 14 2.684 4.626 6.601 113 HG2 LYS 14 2HG LYS 14 4.272 3.714 8.232 114 HG3 LYS 14 3HG LYS 14 5.204 2.961 6.917 115 HD2 LYS 14 2HD LYS 14 6.249 5.060 7.660 116 HD3 LYS 14 3HD LYS 14 5.691 5.170 5.974 117 HE2 LYS 14 2HE LYS 14 3.601 6.268 6.806 118 HE3 LYS 14 3HE LYS 14 4.315 6.282 8.436 119 HZ1 LYS 14 3HZ LYS 14 5.439 7.624 6.061 120 HZ2 LYS 14 1HZ LYS 14 4.649 8.372 7.301 121 HZ3 LYS 14 2HZ LYS 14 6.101 7.637 7.573 122 H ALA 15 H ALA 15 1.694 2.298 4.007 123 HA ALA 15 HA ALA 15 -0.538 4.094 4.234 124 HB1 ALA 15 3HB ALA 15 0.140 2.078 2.065 125 HB2 ALA 15 1HB ALA 15 -1.050 3.392 1.927 126 HB3 ALA 15 2HB ALA 15 0.677 3.774 2.127 127 H ILE 16 H ILE 16 -0.240 0.571 4.322 128 HA ILE 16 HA ILE 16 -3.129 0.152 3.995 129 HB ILE 16 HB ILE 16 -0.973 -1.802 4.916 130 HG12 ILE 16 2HG1 ILE 16 -0.198 -1.122 2.874 131 HG13 ILE 16 3HG1 ILE 16 -1.134 -2.595 2.524 132 HG21 ILE 16 1HG2 ILE 16 -2.572 -3.510 4.117 133 HG22 ILE 16 2HG2 ILE 16 -3.293 -2.508 5.397 134 HG23 ILE 16 3HG2 ILE 16 -3.731 -2.228 3.695 135 HD11 ILE 16 3HD1 ILE 16 -2.090 0.259 2.108 136 HD12 ILE 16 1HD1 ILE 16 -1.549 -0.854 0.831 137 HD13 ILE 16 2HD1 ILE 16 -3.025 -1.214 1.759 138 H GLU 17 H GLU 17 -1.003 0.710 6.653 139 HA GLU 17 HA GLU 17 -2.427 -0.454 8.783 140 HB2 GLU 17 2HB GLU 17 -1.003 2.198 8.569 141 HB3 GLU 17 3HB GLU 17 -1.657 1.550 10.093 142 HG2 GLU 17 2HG GLU 17 0.570 0.242 8.415 143 HG3 GLU 17 3HG GLU 17 0.682 1.181 9.921 144 H GLU 18 H GLU 18 -3.193 2.459 6.937 145 HA GLU 18 HA GLU 18 -5.470 3.236 8.525 146 HB2 GLU 18 2HB GLU 18 -4.824 3.616 5.599 147 HB3 GLU 18 3HB GLU 18 -6.201 4.370 6.439 148 HG2 GLU 18 2HG GLU 18 -4.643 5.696 7.860 149 HG3 GLU 18 3HG GLU 18 -3.331 4.695 7.196 150 H LEU 19 H LEU 19 -5.094 1.028 5.772 151 HA LEU 19 HA LEU 19 -7.899 0.453 5.490 152 HB2 LEU 19 2HB LEU 19 -5.344 -0.580 4.685 153 HB3 LEU 19 3HB LEU 19 -6.590 -1.849 4.620 154 HG LEU 19 HG LEU 19 -7.852 -0.677 2.987 155 HD11 LEU 19 1HD1 LEU 19 -7.260 1.645 2.241 156 HD12 LEU 19 2HD1 LEU 19 -7.633 1.600 3.981 157 HD13 LEU 19 3HD1 LEU 19 -5.941 1.675 3.435 158 HD21 LEU 19 3HD2 LEU 19 -5.914 -1.818 2.081 159 HD22 LEU 19 1HD2 LEU 19 -6.251 -0.351 1.133 160 HD23 LEU 19 2HD2 LEU 19 -4.914 -0.363 2.309 161 H LYS 20 H LYS 20 -5.342 -0.997 7.469 162 HA LYS 20 HA LYS 20 -6.931 -3.109 8.576 163 HB2 LYS 20 2HB LYS 20 -4.673 -1.512 9.792 164 HB3 LYS 20 3HB LYS 20 -5.342 -3.023 10.450 165 HG2 LYS 20 2HG LYS 20 -4.659 -4.187 8.354 166 HG3 LYS 20 3HG LYS 20 -3.896 -2.677 7.801 167 HD2 LYS 20 2HD LYS 20 -2.460 -2.710 9.841 168 HD3 LYS 20 3HD LYS 20 -3.167 -4.285 10.274 169 HE2 LYS 20 2HE LYS 20 -2.305 -5.284 8.241 170 HE3 LYS 20 3HE LYS 20 -1.707 -3.707 7.680 171 HZ1 LYS 20 3HZ LYS 20 -0.755 -5.148 10.071 172 HZ2 LYS 20 1HZ LYS 20 0.050 -5.034 8.636 173 HZ3 LYS 20 2HZ LYS 20 -0.200 -3.684 9.551 174 H LYS 21 H LYS 21 -6.509 0.281 9.553 175 HA LYS 21 HA LYS 21 -8.339 0.102 11.793 176 HB2 LYS 21 2HB LYS 21 -7.388 2.400 10.084 177 HB3 LYS 21 3HB LYS 21 -8.471 2.587 11.483 178 HG2 LYS 21 2HG LYS 21 -6.753 1.706 12.973 179 HG3 LYS 21 3HG LYS 21 -5.675 1.405 11.588 180 HD2 LYS 21 2HD LYS 21 -5.668 3.835 11.095 181 HD3 LYS 21 3HD LYS 21 -6.687 4.111 12.528 182 HE2 LYS 21 2HE LYS 21 -4.945 3.215 13.977 183 HE3 LYS 21 3HE LYS 21 -3.933 2.839 12.563 184 HZ1 LYS 21 3HZ LYS 21 -4.766 5.541 13.405 185 HZ2 LYS 21 1HZ LYS 21 -3.264 4.892 13.615 186 HZ3 LYS 21 2HZ LYS 21 -3.827 5.193 12.094 187 H ALA 22 H ALA 22 -8.751 0.363 8.355 188 HA ALA 22 HA ALA 22 -11.479 1.429 8.605 189 HB1 ALA 22 3HB ALA 22 -9.919 0.476 6.180 190 HB2 ALA 22 1HB ALA 22 -11.497 1.297 6.144 191 HB3 ALA 22 2HB ALA 22 -10.059 2.159 6.742 192 H GLY 23 H GLY 23 -10.059 -1.585 8.891 193 HA2 GLY 23 2HA GLY 23 -11.253 -3.538 9.468 194 HA3 GLY 23 3HA GLY 23 -12.729 -2.837 8.764 195 H ILE 24 H ILE 24 -9.833 -2.623 6.894 196 HA ILE 24 HA ILE 24 -10.942 -4.547 4.915 197 HB ILE 24 HB ILE 24 -8.479 -2.746 4.788 198 HG12 ILE 24 2HG1 ILE 24 -10.488 -1.450 4.986 199 HG13 ILE 24 3HG1 ILE 24 -9.763 -1.306 3.367 200 HG21 ILE 24 1HG2 ILE 24 -8.571 -3.220 2.364 201 HG22 ILE 24 2HG2 ILE 24 -8.352 -4.716 3.301 202 HG23 ILE 24 3HG2 ILE 24 -9.949 -4.313 2.630 203 HD11 ILE 24 3HD1 ILE 24 -12.166 -3.019 4.095 204 HD12 ILE 24 1HD1 ILE 24 -12.218 -1.465 3.233 205 HD13 ILE 24 2HD1 ILE 24 -11.442 -2.876 2.476 206 H THR 25 H THR 25 -10.393 -6.519 4.656 207 HA THR 25 HA THR 25 -7.811 -7.428 5.884 208 HB THR 25 HB THR 25 -8.938 -9.558 6.471 209 HG1 THR 25 HG1 THR 25 -11.262 -9.577 6.360 210 HG21 THR 25 3HG2 THR 25 -10.327 -7.098 7.606 211 HG22 THR 25 1HG2 THR 25 -10.277 -8.706 8.364 212 HG23 THR 25 2HG2 THR 25 -8.778 -7.767 8.167 213 H SER 26 H SER 26 -8.787 -6.694 3.083 214 HA SER 26 HA SER 26 -8.725 -9.254 1.583 215 HB2 SER 26 2HB SER 26 -10.154 -7.591 0.853 216 HB3 SER 26 3HB SER 26 -8.812 -6.434 0.699 217 HG SER 26 HG SER 26 -9.187 -8.844 -0.745 218 H ASP 27 H ASP 27 -6.695 -10.197 1.930 219 HA ASP 27 HA ASP 27 -4.197 -8.775 1.660 220 HB2 ASP 27 2HB ASP 27 -4.848 -11.771 1.378 221 HB3 ASP 27 3HB ASP 27 -3.280 -10.939 1.226 222 H TYR 28 H TYR 28 -6.478 -10.011 -0.638 223 HA TYR 28 HA TYR 28 -4.836 -10.326 -2.922 224 HB2 TYR 28 2HB TYR 28 -7.186 -10.910 -2.894 225 HB3 TYR 28 3HB TYR 28 -7.630 -9.200 -2.672 226 HD1 TYR 28 HD1 TYR 28 -6.109 -11.611 -5.066 227 HD2 TYR 28 HD2 TYR 28 -7.829 -7.744 -4.541 228 HE1 TYR 28 HE1 TYR 28 -6.177 -11.315 -7.525 229 HE2 TYR 28 HE2 TYR 28 -7.904 -7.433 -6.992 230 HH TYR 28 HH TYR 28 -7.452 -8.343 -9.030 231 H TYR 29 H TYR 29 -6.526 -7.355 -1.859 232 HA TYR 29 HA TYR 29 -5.191 -5.751 -3.896 233 HB2 TYR 29 2HB TYR 29 -6.790 -5.023 -1.435 234 HB3 TYR 29 3HB TYR 29 -6.178 -3.854 -2.630 235 HD1 TYR 29 HD2 TYR 29 -6.867 -4.401 -5.137 236 HD2 TYR 29 HD1 TYR 29 -8.965 -5.807 -1.701 237 HE1 TYR 29 HE2 TYR 29 -8.885 -4.744 -6.523 238 HE2 TYR 29 HE1 TYR 29 -10.997 -6.156 -3.075 239 HH TYR 29 HH TYR 29 -11.928 -6.006 -5.141 240 H PHE 30 H PHE 30 -4.573 -6.549 -0.533 241 HA PHE 30 HA PHE 30 -2.474 -4.643 -0.080 242 HB2 PHE 30 2HB PHE 30 -2.894 -7.450 1.036 243 HB3 PHE 30 3HB PHE 30 -1.705 -6.276 1.647 244 HD1 PHE 30 HD2 PHE 30 -4.604 -4.589 0.573 245 HD2 PHE 30 HD1 PHE 30 -3.024 -6.934 3.775 246 HE1 PHE 30 HE2 PHE 30 -6.310 -3.652 2.098 247 HE2 PHE 30 HE1 PHE 30 -4.730 -6.001 5.302 248 HZ PHE 30 HZ PHE 30 -6.372 -4.360 4.463 249 H ASP 31 H ASP 31 -2.597 -7.617 -1.908 250 HA ASP 31 HA ASP 31 0.273 -7.899 -2.220 251 HB2 ASP 31 2HB ASP 31 -1.584 -9.704 -2.742 252 HB3 ASP 31 3HB ASP 31 -1.830 -8.632 -4.143 253 H LEU 32 H LEU 32 -2.193 -5.982 -3.825 254 HA LEU 32 HA LEU 32 -0.743 -5.590 -6.278 255 HB2 LEU 32 2HB LEU 32 -3.003 -4.500 -4.859 256 HB3 LEU 32 3HB LEU 32 -2.401 -3.382 -6.105 257 HG LEU 32 HG LEU 32 -2.667 -5.211 -7.792 258 HD11 LEU 32 1HD1 LEU 32 -4.104 -7.170 -7.164 259 HD12 LEU 32 2HD1 LEU 32 -2.607 -7.134 -6.205 260 HD13 LEU 32 3HD1 LEU 32 -4.139 -6.586 -5.484 261 HD21 LEU 32 3HD2 LEU 32 -4.352 -3.481 -7.570 262 HD22 LEU 32 1HD2 LEU 32 -5.126 -5.036 -7.957 263 HD23 LEU 32 2HD2 LEU 32 -5.175 -4.406 -6.292 264 H ILE 33 H ILE 33 -0.786 -3.844 -3.213 265 HA ILE 33 HA ILE 33 0.860 -1.634 -4.177 266 HB ILE 33 HB ILE 33 1.182 -1.137 -1.773 267 HG12 ILE 33 2HG1 ILE 33 -0.559 -3.354 -0.913 268 HG13 ILE 33 3HG1 ILE 33 1.105 -3.771 -1.384 269 HG21 ILE 33 1HG2 ILE 33 -1.186 -0.814 -1.145 270 HG22 ILE 33 2HG2 ILE 33 -0.916 -0.401 -2.854 271 HG23 ILE 33 3HG2 ILE 33 -1.680 -1.948 -2.424 272 HD11 ILE 33 3HD1 ILE 33 0.312 -1.723 0.716 273 HD12 ILE 33 1HD1 ILE 33 0.944 -3.353 1.039 274 HD13 ILE 33 2HD1 ILE 33 1.976 -2.139 0.245 275 H ASN 34 H ASN 34 1.528 -4.872 -3.187 276 HA ASN 34 HA ASN 34 4.401 -4.398 -2.859 277 HB2 ASN 34 2HB ASN 34 2.969 -7.134 -3.251 278 HB3 ASN 34 3HB ASN 34 4.651 -6.574 -3.083 279 HD21 ASN 34 1HD2 ASN 34 2.807 -8.273 -1.412 280 HD22 ASN 34 2HD2 ASN 34 2.914 -7.589 0.176 281 H LYS 35 H LYS 35 2.269 -5.468 -5.494 282 HA LYS 35 HA LYS 35 4.368 -5.600 -7.476 283 HB2 LYS 35 2HB LYS 35 1.404 -5.067 -7.631 284 HB3 LYS 35 3HB LYS 35 2.461 -5.148 -9.060 285 HG2 LYS 35 2HG LYS 35 3.057 -7.469 -8.485 286 HG3 LYS 35 3HG LYS 35 1.991 -7.388 -7.062 287 HD2 LYS 35 2HD LYS 35 0.053 -7.005 -8.522 288 HD3 LYS 35 3HD LYS 35 1.114 -7.057 -9.951 289 HE2 LYS 35 2HE LYS 35 1.731 -9.374 -9.410 290 HE3 LYS 35 3HE LYS 35 0.672 -9.324 -7.983 291 HZ1 LYS 35 3HZ LYS 35 -0.211 -9.035 -10.783 292 HZ2 LYS 35 1HZ LYS 35 -0.404 -10.382 -9.851 293 HZ3 LYS 35 2HZ LYS 35 -1.194 -8.988 -9.459 294 H ALA 36 H ALA 36 2.886 -2.983 -5.816 295 HA ALA 36 HA ALA 36 3.231 -1.020 -7.922 296 HB1 ALA 36 3HB ALA 36 2.839 -0.669 -4.930 297 HB2 ALA 36 1HB ALA 36 2.719 0.618 -6.153 298 HB3 ALA 36 2HB ALA 36 1.552 -0.725 -6.158 299 H LYS 37 H LYS 37 5.455 -1.686 -8.454 300 HA LYS 37 HA LYS 37 7.642 -1.249 -6.654 301 HB2 LYS 37 2HB LYS 37 7.621 -2.501 -8.859 302 HB3 LYS 37 3HB LYS 37 7.697 -0.908 -9.649 303 HG2 LYS 37 2HG LYS 37 9.838 -0.438 -8.637 304 HG3 LYS 37 3HG LYS 37 9.745 -1.916 -7.650 305 HD2 LYS 37 2HD LYS 37 9.721 -3.257 -9.758 306 HD3 LYS 37 3HD LYS 37 9.964 -1.752 -10.675 307 HE2 LYS 37 2HE LYS 37 12.079 -1.362 -9.526 308 HE3 LYS 37 3HE LYS 37 11.831 -2.816 -8.533 309 HZ1 LYS 37 3HZ LYS 37 12.158 -2.778 -11.465 310 HZ2 LYS 37 1HZ LYS 37 13.308 -3.242 -10.378 311 HZ3 LYS 37 2HZ LYS 37 11.926 -4.128 -10.544 312 H THR 38 H THR 38 5.497 0.976 -7.979 313 HA THR 38 HA THR 38 7.434 3.174 -7.334 314 HB THR 38 HB THR 38 5.970 4.686 -8.536 315 HG1 THR 38 HG1 THR 38 4.285 2.456 -9.115 316 HG21 THR 38 3HG2 THR 38 6.365 2.127 -10.136 317 HG22 THR 38 1HG2 THR 38 6.089 3.747 -10.817 318 HG23 THR 38 2HG2 THR 38 7.580 3.406 -9.906 319 H VAL 39 H VAL 39 6.845 4.842 -5.972 320 HA VAL 39 HA VAL 39 5.147 4.119 -3.719 321 HB VAL 39 HB VAL 39 6.351 6.781 -4.580 322 HG11 VAL 39 1HG1 VAL 39 5.821 7.526 -2.284 323 HG12 VAL 39 2HG1 VAL 39 4.342 7.104 -3.177 324 HG13 VAL 39 3HG1 VAL 39 5.005 5.976 -1.970 325 HG21 VAL 39 3HG2 VAL 39 8.020 5.114 -4.028 326 HG22 VAL 39 1HG2 VAL 39 7.947 6.375 -2.776 327 HG23 VAL 39 2HG2 VAL 39 7.206 4.785 -2.480 328 H GLU 40 H GLU 40 4.657 6.094 -6.605 329 HA GLU 40 HA GLU 40 2.115 7.165 -5.781 330 HB2 GLU 40 2HB GLU 40 3.332 6.645 -8.495 331 HB3 GLU 40 3HB GLU 40 1.770 7.462 -8.246 332 HG2 GLU 40 2HG GLU 40 2.959 9.308 -6.993 333 HG3 GLU 40 3HG GLU 40 4.431 8.330 -7.196 334 H GLY 41 H GLY 41 3.043 4.157 -7.378 335 HA2 GLY 41 2HA GLY 41 0.445 3.266 -8.096 336 HA3 GLY 41 3HA GLY 41 1.833 2.218 -7.717 337 H VAL 42 H VAL 42 2.306 2.840 -5.072 338 HA VAL 42 HA VAL 42 0.423 1.092 -3.772 339 HB VAL 42 HB VAL 42 2.447 3.056 -2.618 340 HG11 VAL 42 1HG1 VAL 42 2.189 1.770 -0.523 341 HG12 VAL 42 2HG1 VAL 42 0.656 2.540 -0.994 342 HG13 VAL 42 3HG1 VAL 42 0.901 0.800 -1.276 343 HG21 VAL 42 3HG2 VAL 42 3.464 1.319 -3.968 344 HG22 VAL 42 1HG2 VAL 42 3.812 1.065 -2.242 345 HG23 VAL 42 2HG2 VAL 42 2.582 0.070 -3.058 346 H ASN 43 H ASN 43 0.682 4.628 -3.793 347 HA ASN 43 HA ASN 43 -1.576 4.959 -1.982 348 HB2 ASN 43 2HB ASN 43 0.304 6.850 -2.502 349 HB3 ASN 43 3HB ASN 43 -0.644 6.733 -4.004 350 HD21 ASN 43 1HD2 ASN 43 -1.761 8.518 -4.171 351 HD22 ASN 43 2HD2 ASN 43 -2.758 9.217 -2.938 352 H ALA 44 H ALA 44 -1.169 5.004 -5.508 353 HA ALA 44 HA ALA 44 -3.853 5.847 -6.065 354 HB1 ALA 44 3HB ALA 44 -1.916 4.247 -7.773 355 HB2 ALA 44 1HB ALA 44 -3.396 5.047 -8.351 356 HB3 ALA 44 2HB ALA 44 -2.048 6.021 -7.718 357 H LEU 45 H LEU 45 -2.351 2.623 -5.866 358 HA LEU 45 HA LEU 45 -4.735 1.161 -6.529 359 HB2 LEU 45 2HB LEU 45 -2.413 0.517 -4.829 360 HB3 LEU 45 3HB LEU 45 -3.502 -0.769 -5.398 361 HG LEU 45 HG LEU 45 -2.081 1.007 -7.377 362 HD11 LEU 45 1HD1 LEU 45 -0.211 -0.663 -7.464 363 HD12 LEU 45 2HD1 LEU 45 -0.305 0.118 -5.868 364 HD13 LEU 45 3HD1 LEU 45 -0.941 -1.529 -6.092 365 HD21 LEU 45 3HD2 LEU 45 -3.853 -0.438 -8.182 366 HD22 LEU 45 1HD2 LEU 45 -2.284 -0.993 -8.812 367 HD23 LEU 45 2HD2 LEU 45 -3.059 -1.861 -7.464 368 H LYS 46 H LYS 46 -3.297 1.969 -3.360 369 HA LYS 46 HA LYS 46 -5.377 0.756 -1.810 370 HB2 LYS 46 2HB LYS 46 -3.050 1.605 -1.116 371 HB3 LYS 46 3HB LYS 46 -3.834 3.198 -0.979 372 HG2 LYS 46 2HG LYS 46 -5.554 1.892 0.523 373 HG3 LYS 46 3HG LYS 46 -4.223 0.721 0.682 374 HD2 LYS 46 2HD LYS 46 -4.078 2.262 2.525 375 HD3 LYS 46 3HD LYS 46 -2.738 2.607 1.405 376 HE2 LYS 46 2HE LYS 46 -4.093 4.430 0.402 377 HE3 LYS 46 3HE LYS 46 -5.361 4.117 1.609 378 HZ1 LYS 46 3HZ LYS 46 -2.598 4.961 2.205 379 HZ2 LYS 46 1HZ LYS 46 -3.932 5.930 2.270 380 HZ3 LYS 46 2HZ LYS 46 -3.774 4.671 3.325 381 H ASP 47 H ASP 47 -5.146 3.888 -3.379 382 HA ASP 47 HA ASP 47 -6.957 5.385 -1.851 383 HB2 ASP 47 2HB ASP 47 -5.573 6.129 -3.981 384 HB3 ASP 47 3HB ASP 47 -6.943 5.330 -4.791 385 H GLU 48 H GLU 48 -7.683 3.031 -4.405 386 HA GLU 48 HA GLU 48 -10.531 3.475 -4.388 387 HB2 GLU 48 2HB GLU 48 -8.836 1.094 -5.149 388 HB3 GLU 48 3HB GLU 48 -10.601 1.170 -5.366 389 HG2 GLU 48 2HG GLU 48 -10.300 3.113 -6.957 390 HG3 GLU 48 3HG GLU 48 -8.571 3.014 -6.556 391 H ILE 49 H ILE 49 -8.401 1.416 -2.468 392 HA ILE 49 HA ILE 49 -10.649 0.014 -1.188 393 HB ILE 49 HB ILE 49 -7.702 0.162 -0.402 394 HG12 ILE 49 2HG1 ILE 49 -7.974 -0.701 -2.633 395 HG13 ILE 49 3HG1 ILE 49 -7.421 -1.946 -1.488 396 HG21 ILE 49 1HG2 ILE 49 -8.205 -1.901 0.864 397 HG22 ILE 49 2HG2 ILE 49 -9.200 -0.542 1.434 398 HG23 ILE 49 3HG2 ILE 49 -9.912 -1.784 0.379 399 HD11 ILE 49 3HD1 ILE 49 -10.259 -1.614 -2.524 400 HD12 ILE 49 1HD1 ILE 49 -9.097 -2.853 -3.050 401 HD13 ILE 49 2HD1 ILE 49 -9.707 -2.860 -1.378 402 H LEU 50 H LEU 50 -8.459 2.651 -0.303 403 HA LEU 50 HA LEU 50 -9.468 2.919 2.379 404 HB2 LEU 50 2HB LEU 50 -7.421 3.735 1.631 405 HB3 LEU 50 3HB LEU 50 -8.105 4.969 0.546 406 HG LEU 50 HG LEU 50 -9.219 5.978 2.593 407 HD11 LEU 50 1HD1 LEU 50 -8.179 5.411 4.805 408 HD12 LEU 50 2HD1 LEU 50 -8.979 3.994 4.085 409 HD13 LEU 50 3HD1 LEU 50 -7.207 4.152 4.007 410 HD21 LEU 50 3HD2 LEU 50 -7.273 6.989 1.561 411 HD22 LEU 50 1HD2 LEU 50 -7.178 7.157 3.330 412 HD23 LEU 50 2HD2 LEU 50 -6.190 5.931 2.498 413 H LYS 51 H LYS 51 -10.529 4.208 -0.720 414 HA LYS 51 HA LYS 51 -12.677 5.742 0.678 415 HB2 LYS 51 2HB LYS 51 -11.746 5.715 -2.197 416 HB3 LYS 51 3HB LYS 51 -13.106 6.676 -1.569 417 HG2 LYS 51 2HG LYS 51 -11.546 7.879 -0.074 418 HG3 LYS 51 3HG LYS 51 -10.192 6.940 -0.749 419 HD2 LYS 51 2HD LYS 51 -10.648 7.864 -2.978 420 HD3 LYS 51 3HD LYS 51 -12.022 8.786 -2.322 421 HE2 LYS 51 2HE LYS 51 -10.504 10.026 -0.852 422 HE3 LYS 51 3HE LYS 51 -9.125 9.090 -1.473 423 HZ1 LYS 51 3HZ LYS 51 -10.830 10.892 -3.069 424 HZ2 LYS 51 1HZ LYS 51 -9.303 11.231 -2.547 425 HZ3 LYS 51 2HZ LYS 51 -9.552 10.024 -3.645 426 H ALA 52 H ALA 52 -12.410 2.706 0.126 427 HA ALA 52 HA ALA 52 -14.542 2.054 -1.681 428 HB1 ALA 52 3HB ALA 52 -13.414 0.480 0.660 429 HB2 ALA 52 1HB ALA 52 -14.463 -0.170 -0.620 430 HB3 ALA 52 2HB ALA 52 -12.834 0.422 -1.021 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 19.893 2.031 3.438 2 H2 GLY 1 2H GLY 1 21.042 1.537 2.610 3 H3 GLY 1 3H GLY 1 20.442 2.884 2.333 4 HA2 GLY 1 2HA GLY 1 19.663 0.451 1.093 5 HA3 GLY 1 3HA GLY 1 18.301 1.037 2.076 6 H THR 2 H THR 2 17.895 0.813 -0.580 7 HA THR 2 HA THR 2 18.424 3.409 -1.889 8 HB THR 2 HB THR 2 17.327 2.457 -3.827 9 HG1 THR 2 HG1 THR 2 16.473 0.224 -3.555 10 HG21 THR 2 3HG2 THR 2 19.028 0.339 -2.451 11 HG22 THR 2 1HG2 THR 2 18.686 0.428 -4.196 12 HG23 THR 2 2HG2 THR 2 19.644 1.707 -3.409 13 H ILE 3 H ILE 3 16.520 4.378 -3.119 14 HA ILE 3 HA ILE 3 14.565 5.374 -1.271 15 HB ILE 3 HB ILE 3 14.588 5.250 -4.319 16 HG12 ILE 3 2HG1 ILE 3 15.014 7.583 -2.476 17 HG13 ILE 3 3HG1 ILE 3 16.323 6.586 -3.152 18 HG21 ILE 3 1HG2 ILE 3 12.753 6.903 -4.227 19 HG22 ILE 3 2HG2 ILE 3 12.267 5.366 -3.476 20 HG23 ILE 3 3HG2 ILE 3 12.706 6.754 -2.454 21 HD11 ILE 3 3HD1 ILE 3 14.313 8.206 -4.755 22 HD12 ILE 3 1HD1 ILE 3 16.010 8.650 -4.461 23 HD13 ILE 3 2HD1 ILE 3 15.622 7.209 -5.430 24 H ASP 4 H ASP 4 14.431 2.668 -3.540 25 HA ASP 4 HA ASP 4 11.647 2.073 -2.995 26 HB2 ASP 4 2HB ASP 4 13.898 0.321 -4.152 27 HB3 ASP 4 3HB ASP 4 12.194 -0.093 -3.840 28 H GLU 5 H GLU 5 14.714 0.794 -1.709 29 HA GLU 5 HA GLU 5 13.417 -1.198 -0.057 30 HB2 GLU 5 2HB GLU 5 16.156 0.069 0.069 31 HB3 GLU 5 3HB GLU 5 15.624 -1.300 1.075 32 HG2 GLU 5 2HG GLU 5 15.884 -1.357 -1.993 33 HG3 GLU 5 3HG GLU 5 16.978 -2.009 -0.752 34 H TRP 6 H TRP 6 14.239 2.174 0.399 35 HA TRP 6 HA TRP 6 13.577 1.981 3.297 36 HB2 TRP 6 2HB TRP 6 15.606 3.269 2.629 37 HB3 TRP 6 3HB TRP 6 14.578 4.351 1.659 38 HD1 TRP 6 HD1 TRP 6 13.573 6.243 2.781 39 HE1 TRP 6 HE1 TRP 6 13.484 7.218 5.300 40 HE3 TRP 6 HE3 TRP 6 15.549 2.228 5.190 41 HZ2 TRP 6 HZ2 TRP 6 14.187 6.273 7.800 42 HZ3 TRP 6 HZ3 TRP 6 15.833 2.270 7.591 43 HH2 TRP 6 HH2 TRP 6 15.181 4.226 8.929 44 H LEU 7 H LEU 7 12.754 4.301 0.696 45 HA LEU 7 HA LEU 7 10.515 5.275 2.263 46 HB2 LEU 7 2HB LEU 7 11.123 6.897 1.090 47 HB3 LEU 7 3HB LEU 7 11.906 6.021 -0.245 48 HG LEU 7 HG LEU 7 9.747 5.670 -1.325 49 HD11 LEU 7 1HD1 LEU 7 7.683 6.758 -0.401 50 HD12 LEU 7 2HD1 LEU 7 8.346 5.558 0.733 51 HD13 LEU 7 3HD1 LEU 7 8.620 7.294 1.014 52 HD21 LEU 7 3HD2 LEU 7 10.966 7.692 -1.879 53 HD22 LEU 7 1HD2 LEU 7 9.216 8.009 -1.923 54 HD23 LEU 7 2HD2 LEU 7 10.187 8.564 -0.538 55 H LEU 8 H LEU 8 10.635 3.595 -0.897 56 HA LEU 8 HA LEU 8 7.804 3.438 -1.168 57 HB2 LEU 8 2HB LEU 8 9.598 3.162 -2.796 58 HB3 LEU 8 3HB LEU 8 9.818 1.455 -2.345 59 HG LEU 8 HG LEU 8 7.815 2.702 -4.070 60 HD11 LEU 8 1HD1 LEU 8 7.471 0.315 -4.762 61 HD12 LEU 8 2HD1 LEU 8 9.201 0.721 -4.677 62 HD13 LEU 8 3HD1 LEU 8 8.440 -0.213 -3.366 63 HD21 LEU 8 3HD2 LEU 8 6.426 2.673 -2.082 64 HD22 LEU 8 1HD2 LEU 8 5.851 1.452 -3.242 65 HD23 LEU 8 2HD2 LEU 8 6.793 0.952 -1.816 66 H LYS 9 H LYS 9 10.114 1.068 0.153 67 HA LYS 9 HA LYS 9 8.225 -0.903 0.938 68 HB2 LYS 9 2HB LYS 9 10.697 -1.099 1.041 69 HB3 LYS 9 3HB LYS 9 10.686 0.004 2.438 70 HG2 LYS 9 2HG LYS 9 9.370 -1.605 3.728 71 HG3 LYS 9 3HG LYS 9 9.302 -2.698 2.325 72 HD2 LYS 9 2HD LYS 9 11.791 -1.846 3.843 73 HD3 LYS 9 3HD LYS 9 11.015 -3.446 3.898 74 HE2 LYS 9 2HE LYS 9 11.580 -3.912 1.643 75 HE3 LYS 9 3HE LYS 9 12.024 -2.219 1.326 76 HZ1 LYS 9 3HZ LYS 9 13.474 -4.067 3.110 77 HZ2 LYS 9 1HZ LYS 9 13.962 -3.611 1.602 78 HZ3 LYS 9 2HZ LYS 9 13.887 -2.497 2.818 79 H GLU 10 H GLU 10 9.200 2.104 2.553 80 HA GLU 10 HA GLU 10 7.621 1.591 4.933 81 HB2 GLU 10 2HB GLU 10 9.550 3.116 4.859 82 HB3 GLU 10 3HB GLU 10 8.638 4.189 3.770 83 HG2 GLU 10 2HG GLU 10 6.961 4.594 5.627 84 HG3 GLU 10 3HG GLU 10 7.916 3.429 6.569 85 H ALA 11 H ALA 11 7.013 3.256 1.873 86 HA ALA 11 HA ALA 11 4.448 4.305 2.641 87 HB1 ALA 11 3HB ALA 11 5.529 3.588 -0.106 88 HB2 ALA 11 1HB ALA 11 4.084 4.574 0.218 89 HB3 ALA 11 2HB ALA 11 5.690 5.163 0.707 90 H LYS 12 H LYS 12 5.483 1.240 1.196 91 HA LYS 12 HA LYS 12 2.881 0.156 0.720 92 HB2 LYS 12 2HB LYS 12 5.489 -1.165 1.477 93 HB3 LYS 12 3HB LYS 12 4.022 -2.040 0.980 94 HG2 LYS 12 2HG LYS 12 4.145 -1.228 -1.232 95 HG3 LYS 12 3HG LYS 12 5.290 0.059 -0.784 96 HD2 LYS 12 2HD LYS 12 7.042 -1.571 -0.382 97 HD3 LYS 12 3HD LYS 12 5.905 -2.911 -0.664 98 HE2 LYS 12 2HE LYS 12 5.605 -2.189 -2.984 99 HE3 LYS 12 3HE LYS 12 6.708 -0.821 -2.711 100 HZ1 LYS 12 3HZ LYS 12 7.438 -3.674 -2.531 101 HZ2 LYS 12 1HZ LYS 12 7.821 -2.662 -3.776 102 HZ3 LYS 12 2HZ LYS 12 8.462 -2.406 -2.278 103 H GLU 13 H GLU 13 4.954 0.042 3.614 104 HA GLU 13 HA GLU 13 3.088 -1.535 5.161 105 HB2 GLU 13 2HB GLU 13 5.339 0.324 5.933 106 HB3 GLU 13 3HB GLU 13 4.403 -0.646 7.096 107 HG2 GLU 13 2HG GLU 13 5.252 -2.753 6.022 108 HG3 GLU 13 3HG GLU 13 5.987 -1.701 4.792 109 H LYS 14 H LYS 14 3.639 1.960 4.839 110 HA LYS 14 HA LYS 14 1.805 2.680 6.952 111 HB2 LYS 14 2HB LYS 14 3.003 4.151 4.614 112 HB3 LYS 14 3HB LYS 14 1.836 4.912 5.721 113 HG2 LYS 14 2HG LYS 14 3.392 4.361 7.617 114 HG3 LYS 14 3HG LYS 14 4.581 3.815 6.411 115 HD2 LYS 14 2HD LYS 14 4.977 6.151 7.173 116 HD3 LYS 14 3HD LYS 14 4.673 6.027 5.424 117 HE2 LYS 14 2HE LYS 14 3.382 7.865 6.104 118 HE3 LYS 14 3HE LYS 14 2.222 6.521 5.988 119 HZ1 LYS 14 3HZ LYS 14 3.469 7.500 8.476 120 HZ2 LYS 14 1HZ LYS 14 1.916 7.790 8.004 121 HZ3 LYS 14 2HZ LYS 14 2.394 6.254 8.370 122 H ALA 15 H ALA 15 1.416 2.015 3.528 123 HA ALA 15 HA ALA 15 -1.145 3.291 3.258 124 HB1 ALA 15 3HB ALA 15 0.090 1.022 1.659 125 HB2 ALA 15 1HB ALA 15 -1.326 1.983 1.175 126 HB3 ALA 15 2HB ALA 15 0.268 2.760 1.322 127 H ILE 16 H ILE 16 -0.180 -0.058 3.979 128 HA ILE 16 HA ILE 16 -2.974 -0.975 4.083 129 HB ILE 16 HB ILE 16 -0.424 -2.342 5.055 130 HG12 ILE 16 2HG1 ILE 16 -0.001 -2.024 2.837 131 HG13 ILE 16 3HG1 ILE 16 -0.728 -3.647 2.902 132 HG21 ILE 16 1HG2 ILE 16 -1.770 -4.404 4.840 133 HG22 ILE 16 2HG2 ILE 16 -2.511 -3.273 5.994 134 HG23 ILE 16 3HG2 ILE 16 -3.179 -3.434 4.353 135 HD11 ILE 16 3HD1 ILE 16 -2.159 -1.088 2.101 136 HD12 ILE 16 1HD1 ILE 16 -1.598 -2.359 0.991 137 HD13 ILE 16 2HD1 ILE 16 -2.886 -2.711 2.168 138 H GLU 17 H GLU 17 -0.580 0.145 6.381 139 HA GLU 17 HA GLU 17 -1.787 -0.735 8.780 140 HB2 GLU 17 2HB GLU 17 0.385 0.395 8.625 141 HB3 GLU 17 3HB GLU 17 -0.446 1.913 8.206 142 HG2 GLU 17 2HG GLU 17 -1.537 1.903 10.499 143 HG3 GLU 17 3HG GLU 17 -0.706 0.350 10.742 144 H GLU 18 H GLU 18 -2.537 2.147 6.830 145 HA GLU 18 HA GLU 18 -4.710 3.022 8.527 146 HB2 GLU 18 2HB GLU 18 -4.129 3.459 5.594 147 HB3 GLU 18 3HB GLU 18 -5.428 4.266 6.505 148 HG2 GLU 18 2HG GLU 18 -3.662 5.345 7.983 149 HG3 GLU 18 3HG GLU 18 -2.487 4.421 7.021 150 H LEU 19 H LEU 19 -4.505 0.820 5.764 151 HA LEU 19 HA LEU 19 -7.346 0.503 5.435 152 HB2 LEU 19 2HB LEU 19 -4.883 -0.750 4.651 153 HB3 LEU 19 3HB LEU 19 -6.243 -1.891 4.541 154 HG LEU 19 HG LEU 19 -7.307 -0.667 2.855 155 HD11 LEU 19 1HD1 LEU 19 -6.687 1.691 2.263 156 HD12 LEU 19 2HD1 LEU 19 -7.162 1.557 3.973 157 HD13 LEU 19 3HD1 LEU 19 -5.441 1.666 3.533 158 HD21 LEU 19 3HD2 LEU 19 -5.311 -1.756 2.011 159 HD22 LEU 19 1HD2 LEU 19 -5.601 -0.242 1.120 160 HD23 LEU 19 2HD2 LEU 19 -4.336 -0.310 2.371 161 H LYS 20 H LYS 20 -4.966 -1.149 7.462 162 HA LYS 20 HA LYS 20 -6.739 -3.142 8.517 163 HB2 LYS 20 2HB LYS 20 -4.383 -1.718 9.764 164 HB3 LYS 20 3HB LYS 20 -5.203 -3.140 10.455 165 HG2 LYS 20 2HG LYS 20 -4.596 -4.422 8.397 166 HG3 LYS 20 3HG LYS 20 -3.669 -3.011 7.837 167 HD2 LYS 20 2HD LYS 20 -2.284 -3.139 9.895 168 HD3 LYS 20 3HD LYS 20 -3.178 -4.601 10.377 169 HE2 LYS 20 2HE LYS 20 -2.418 -5.756 8.362 170 HE3 LYS 20 3HE LYS 20 -1.565 -4.290 7.827 171 HZ1 LYS 20 3HZ LYS 20 -0.958 -5.831 10.269 172 HZ2 LYS 20 1HZ LYS 20 -0.074 -5.854 8.876 173 HZ3 LYS 20 2HZ LYS 20 -0.167 -4.472 9.772 174 H LYS 21 H LYS 21 -6.090 0.208 9.510 175 HA LYS 21 HA LYS 21 -7.974 0.168 11.710 176 HB2 LYS 21 2HB LYS 21 -6.821 2.384 10.017 177 HB3 LYS 21 3HB LYS 21 -7.923 2.657 11.388 178 HG2 LYS 21 2HG LYS 21 -6.308 1.645 12.920 179 HG3 LYS 21 3HG LYS 21 -5.217 1.288 11.561 180 HD2 LYS 21 2HD LYS 21 -5.028 3.710 11.093 181 HD3 LYS 21 3HD LYS 21 -6.088 4.049 12.483 182 HE2 LYS 21 2HE LYS 21 -4.464 3.015 13.995 183 HE3 LYS 21 3HE LYS 21 -3.412 2.624 12.615 184 HZ1 LYS 21 3HZ LYS 21 -4.153 5.343 13.490 185 HZ2 LYS 21 1HZ LYS 21 -2.694 4.617 13.746 186 HZ3 LYS 21 2HZ LYS 21 -3.177 4.981 12.210 187 H ALA 22 H ALA 22 -8.299 0.458 8.263 188 HA ALA 22 HA ALA 22 -10.962 1.686 8.461 189 HB1 ALA 22 3HB ALA 22 -9.420 0.627 6.068 190 HB2 ALA 22 1HB ALA 22 -10.945 1.539 6.001 191 HB3 ALA 22 2HB ALA 22 -9.469 2.318 6.619 192 H GLY 23 H GLY 23 -9.723 -1.411 8.769 193 HA2 GLY 23 2HA GLY 23 -11.034 -3.286 9.344 194 HA3 GLY 23 3HA GLY 23 -12.463 -2.494 8.642 195 H ILE 24 H ILE 24 -9.529 -2.510 6.798 196 HA ILE 24 HA ILE 24 -10.796 -4.320 4.799 197 HB ILE 24 HB ILE 24 -8.209 -2.704 4.657 198 HG12 ILE 24 2HG1 ILE 24 -10.095 -1.250 4.920 199 HG13 ILE 24 3HG1 ILE 24 -9.406 -1.142 3.284 200 HG21 ILE 24 1HG2 ILE 24 -8.391 -3.122 2.228 201 HG22 ILE 24 2HG2 ILE 24 -8.274 -4.649 3.133 202 HG23 ILE 24 3HG2 ILE 24 -9.847 -4.105 2.505 203 HD11 ILE 24 3HD1 ILE 24 -11.921 -2.661 4.059 204 HD12 ILE 24 1HD1 ILE 24 -11.869 -1.095 3.218 205 HD13 ILE 24 2HD1 ILE 24 -11.232 -2.554 2.422 206 H THR 25 H THR 25 -10.339 -6.307 4.446 207 HA THR 25 HA THR 25 -7.859 -7.413 5.724 208 HB THR 25 HB THR 25 -9.139 -9.476 6.227 209 HG1 THR 25 HG1 THR 25 -11.456 -9.340 6.054 210 HG21 THR 25 3HG2 THR 25 -10.396 -6.957 7.386 211 HG22 THR 25 1HG2 THR 25 -10.472 -8.582 8.104 212 HG23 THR 25 2HG2 THR 25 -8.909 -7.740 7.971 213 H SER 26 H SER 26 -8.716 -6.554 2.915 214 HA SER 26 HA SER 26 -8.766 -9.071 1.349 215 HB2 SER 26 2HB SER 26 -10.041 -7.288 0.614 216 HB3 SER 26 3HB SER 26 -8.611 -6.231 0.539 217 HG SER 26 HG SER 26 -9.029 -8.610 -0.950 218 H ASP 27 H ASP 27 -6.837 -10.183 1.691 219 HA ASP 27 HA ASP 27 -4.228 -8.954 1.603 220 HB2 ASP 27 2HB ASP 27 -5.097 -11.867 1.122 221 HB3 ASP 27 3HB ASP 27 -3.464 -11.159 1.079 222 H TYR 28 H TYR 28 -6.464 -9.992 -0.861 223 HA TYR 28 HA TYR 28 -4.706 -10.245 -3.069 224 HB2 TYR 28 2HB TYR 28 -7.048 -10.812 -3.205 225 HB3 TYR 28 3HB TYR 28 -7.505 -9.118 -2.902 226 HD1 TYR 28 HD1 TYR 28 -5.860 -11.380 -5.361 227 HD2 TYR 28 HD2 TYR 28 -7.626 -7.558 -4.690 228 HE1 TYR 28 HE1 TYR 28 -5.812 -10.939 -7.798 229 HE2 TYR 28 HE2 TYR 28 -7.586 -7.100 -7.119 230 HH TYR 28 HH TYR 28 -7.032 -7.886 -9.184 231 H TYR 29 H TYR 29 -6.470 -7.301 -2.051 232 HA TYR 29 HA TYR 29 -5.061 -5.642 -3.966 233 HB2 TYR 29 2HB TYR 29 -6.723 -5.020 -1.520 234 HB3 TYR 29 3HB TYR 29 -6.030 -3.779 -2.593 235 HD1 TYR 29 HD2 TYR 29 -6.579 -4.222 -5.190 236 HD2 TYR 29 HD1 TYR 29 -8.927 -5.631 -1.922 237 HE1 TYR 29 HE2 TYR 29 -8.534 -4.413 -6.690 238 HE2 TYR 29 HE1 TYR 29 -10.897 -5.829 -3.411 239 HH TYR 29 HH TYR 29 -11.706 -5.563 -5.517 240 H PHE 30 H PHE 30 -4.487 -6.558 -0.628 241 HA PHE 30 HA PHE 30 -2.407 -4.642 -0.089 242 HB2 PHE 30 2HB PHE 30 -2.891 -7.449 0.997 243 HB3 PHE 30 3HB PHE 30 -1.687 -6.309 1.640 244 HD1 PHE 30 HD2 PHE 30 -4.435 -4.446 0.563 245 HD2 PHE 30 HD1 PHE 30 -3.152 -7.049 3.698 246 HE1 PHE 30 HE2 PHE 30 -6.147 -3.481 2.061 247 HE2 PHE 30 HE1 PHE 30 -4.864 -6.088 5.199 248 HZ PHE 30 HZ PHE 30 -6.362 -4.303 4.380 249 H ASP 31 H ASP 31 -2.477 -7.629 -1.909 250 HA ASP 31 HA ASP 31 0.404 -7.881 -2.157 251 HB2 ASP 31 2HB ASP 31 -1.415 -9.721 -2.682 252 HB3 ASP 31 3HB ASP 31 -1.652 -8.676 -4.105 253 H LEU 32 H LEU 32 -2.054 -6.015 -3.827 254 HA LEU 32 HA LEU 32 -0.583 -5.668 -6.275 255 HB2 LEU 32 2HB LEU 32 -2.869 -4.576 -4.906 256 HB3 LEU 32 3HB LEU 32 -2.261 -3.465 -6.155 257 HG LEU 32 HG LEU 32 -2.468 -5.343 -7.816 258 HD11 LEU 32 1HD1 LEU 32 -3.946 -7.269 -7.181 259 HD12 LEU 32 2HD1 LEU 32 -2.478 -7.222 -6.177 260 HD13 LEU 32 3HD1 LEU 32 -4.026 -6.640 -5.519 261 HD21 LEU 32 3HD2 LEU 32 -4.138 -3.591 -7.692 262 HD22 LEU 32 1HD2 LEU 32 -4.918 -5.146 -8.062 263 HD23 LEU 32 2HD2 LEU 32 -5.012 -4.472 -6.417 264 H ILE 33 H ILE 33 -0.647 -3.874 -3.243 265 HA ILE 33 HA ILE 33 0.954 -1.649 -4.249 266 HB ILE 33 HB ILE 33 1.251 -1.083 -1.865 267 HG12 ILE 33 2HG1 ILE 33 -0.396 -3.343 -0.937 268 HG13 ILE 33 3HG1 ILE 33 1.279 -3.707 -1.409 269 HG21 ILE 33 1HG2 ILE 33 -1.124 -0.838 -1.227 270 HG22 ILE 33 2HG2 ILE 33 -0.882 -0.457 -2.948 271 HG23 ILE 33 3HG2 ILE 33 -1.582 -2.022 -2.474 272 HD11 ILE 33 3HD1 ILE 33 0.421 -1.639 0.644 273 HD12 ILE 33 1HD1 ILE 33 1.119 -3.235 1.003 274 HD13 ILE 33 2HD1 ILE 33 2.097 -2.003 0.170 275 H ASN 34 H ASN 34 1.684 -4.849 -3.155 276 HA ASN 34 HA ASN 34 4.555 -4.310 -2.900 277 HB2 ASN 34 2HB ASN 34 3.163 -7.083 -3.146 278 HB3 ASN 34 3HB ASN 34 4.839 -6.492 -3.045 279 HD21 ASN 34 1HD2 ASN 34 3.084 -8.154 -1.257 280 HD22 ASN 34 2HD2 ASN 34 3.214 -7.401 0.298 281 H LYS 35 H LYS 35 2.401 -5.571 -5.440 282 HA LYS 35 HA LYS 35 4.449 -5.702 -7.469 283 HB2 LYS 35 2HB LYS 35 1.467 -5.257 -7.561 284 HB3 LYS 35 3HB LYS 35 2.488 -5.353 -9.015 285 HG2 LYS 35 2HG LYS 35 3.162 -7.636 -8.401 286 HG3 LYS 35 3HG LYS 35 2.154 -7.542 -6.937 287 HD2 LYS 35 2HD LYS 35 0.146 -7.260 -8.322 288 HD3 LYS 35 3HD LYS 35 1.146 -7.323 -9.794 289 HE2 LYS 35 2HE LYS 35 1.852 -9.603 -9.227 290 HE3 LYS 35 3HE LYS 35 0.871 -9.544 -7.746 291 HZ1 LYS 35 3HZ LYS 35 -0.172 -9.361 -10.500 292 HZ2 LYS 35 1HZ LYS 35 -0.271 -10.686 -9.523 293 HZ3 LYS 35 2HZ LYS 35 -1.082 -9.305 -9.125 294 H ALA 36 H ALA 36 2.823 -3.067 -5.925 295 HA ALA 36 HA ALA 36 3.247 -1.162 -8.072 296 HB1 ALA 36 3HB ALA 36 2.697 -0.728 -5.117 297 HB2 ALA 36 1HB ALA 36 2.624 0.520 -6.382 298 HB3 ALA 36 2HB ALA 36 1.475 -0.839 -6.405 299 H LYS 37 H LYS 37 5.503 -1.814 -8.469 300 HA LYS 37 HA LYS 37 7.590 -1.302 -6.577 301 HB2 LYS 37 2HB LYS 37 7.719 -2.614 -8.726 302 HB3 LYS 37 3HB LYS 37 7.769 -1.053 -9.578 303 HG2 LYS 37 2HG LYS 37 9.849 -0.463 -8.484 304 HG3 LYS 37 3HG LYS 37 9.775 -1.926 -7.473 305 HD2 LYS 37 2HD LYS 37 9.884 -3.307 -9.551 306 HD3 LYS 37 3HD LYS 37 10.096 -1.811 -10.491 307 HE2 LYS 37 2HE LYS 37 12.153 -1.307 -9.278 308 HE3 LYS 37 3HE LYS 37 11.930 -2.753 -8.265 309 HZ1 LYS 37 3HZ LYS 37 12.357 -2.755 -11.184 310 HZ2 LYS 37 1HZ LYS 37 13.488 -3.149 -10.050 311 HZ3 LYS 37 2HZ LYS 37 12.151 -4.096 -10.246 312 H THR 38 H THR 38 5.489 0.863 -8.061 313 HA THR 38 HA THR 38 7.382 3.111 -7.475 314 HB THR 38 HB THR 38 5.879 4.552 -8.707 315 HG1 THR 38 HG1 THR 38 4.051 3.167 -9.791 316 HG21 THR 38 3HG2 THR 38 6.256 1.932 -10.211 317 HG22 THR 38 1HG2 THR 38 5.948 3.521 -10.950 318 HG23 THR 38 2HG2 THR 38 7.465 3.230 -10.065 319 H VAL 39 H VAL 39 6.825 4.785 -6.129 320 HA VAL 39 HA VAL 39 5.142 4.124 -3.845 321 HB VAL 39 HB VAL 39 6.353 6.760 -4.775 322 HG11 VAL 39 1HG1 VAL 39 5.857 7.551 -2.485 323 HG12 VAL 39 2HG1 VAL 39 4.364 7.119 -3.350 324 HG13 VAL 39 3HG1 VAL 39 5.038 6.012 -2.131 325 HG21 VAL 39 3HG2 VAL 39 8.022 5.096 -4.212 326 HG22 VAL 39 1HG2 VAL 39 7.972 6.381 -2.984 327 HG23 VAL 39 2HG2 VAL 39 7.228 4.800 -2.648 328 H GLU 40 H GLU 40 4.637 6.021 -6.778 329 HA GLU 40 HA GLU 40 2.123 7.152 -5.943 330 HB2 GLU 40 2HB GLU 40 3.300 6.561 -8.660 331 HB3 GLU 40 3HB GLU 40 1.753 7.406 -8.408 332 HG2 GLU 40 2HG GLU 40 2.984 9.259 -7.208 333 HG3 GLU 40 3HG GLU 40 4.439 8.255 -7.405 334 H GLY 41 H GLY 41 2.982 4.110 -7.524 335 HA2 GLY 41 2HA GLY 41 0.350 3.234 -8.136 336 HA3 GLY 41 3HA GLY 41 1.744 2.180 -7.801 337 H VAL 42 H VAL 42 2.332 2.802 -5.189 338 HA VAL 42 HA VAL 42 0.451 1.128 -3.785 339 HB VAL 42 HB VAL 42 2.599 3.023 -2.746 340 HG11 VAL 42 1HG1 VAL 42 2.399 1.752 -0.635 341 HG12 VAL 42 2HG1 VAL 42 0.872 2.574 -1.035 342 HG13 VAL 42 3HG1 VAL 42 1.045 0.825 -1.321 343 HG21 VAL 42 3HG2 VAL 42 3.489 1.249 -4.135 344 HG22 VAL 42 1HG2 VAL 42 3.912 0.987 -2.426 345 HG23 VAL 42 2HG2 VAL 42 2.611 0.032 -3.177 346 H ASN 43 H ASN 43 0.842 4.651 -3.869 347 HA ASN 43 HA ASN 43 -1.288 5.105 -1.941 348 HB2 ASN 43 2HB ASN 43 0.611 6.917 -2.635 349 HB3 ASN 43 3HB ASN 43 -0.434 6.789 -4.071 350 HD21 ASN 43 1HD2 ASN 43 -1.513 8.597 -4.225 351 HD22 ASN 43 2HD2 ASN 43 -2.404 9.366 -2.953 352 H ALA 44 H ALA 44 -1.114 5.024 -5.484 353 HA ALA 44 HA ALA 44 -3.813 5.894 -5.902 354 HB1 ALA 44 3HB ALA 44 -2.026 4.171 -7.653 355 HB2 ALA 44 1HB ALA 44 -3.526 4.974 -8.171 356 HB3 ALA 44 2HB ALA 44 -2.120 5.948 -7.678 357 H LEU 45 H LEU 45 -2.360 2.662 -5.585 358 HA LEU 45 HA LEU 45 -4.816 1.222 -6.031 359 HB2 LEU 45 2HB LEU 45 -2.396 0.599 -4.469 360 HB3 LEU 45 3HB LEU 45 -3.546 -0.683 -4.912 361 HG LEU 45 HG LEU 45 -2.222 0.979 -7.051 362 HD11 LEU 45 1HD1 LEU 45 -0.395 -0.735 -7.189 363 HD12 LEU 45 2HD1 LEU 45 -0.369 0.113 -5.624 364 HD13 LEU 45 3HD1 LEU 45 -1.049 -1.528 -5.737 365 HD21 LEU 45 3HD2 LEU 45 -4.072 -0.459 -7.677 366 HD22 LEU 45 1HD2 LEU 45 -2.558 -1.074 -8.384 367 HD23 LEU 45 2HD2 LEU 45 -3.259 -1.869 -6.954 368 H LYS 46 H LYS 46 -3.163 2.243 -3.041 369 HA LYS 46 HA LYS 46 -5.149 1.233 -1.245 370 HB2 LYS 46 2HB LYS 46 -2.816 2.091 -0.731 371 HB3 LYS 46 3HB LYS 46 -3.504 3.729 -0.851 372 HG2 LYS 46 2HG LYS 46 -5.253 2.685 0.889 373 HG3 LYS 46 3HG LYS 46 -3.858 1.645 1.262 374 HD2 LYS 46 2HD LYS 46 -3.724 3.508 2.744 375 HD3 LYS 46 3HD LYS 46 -2.481 3.758 1.494 376 HE2 LYS 46 2HE LYS 46 -4.010 5.262 0.282 377 HE3 LYS 46 3HE LYS 46 -5.239 5.023 1.546 378 HZ1 LYS 46 3HZ LYS 46 -2.577 6.229 1.949 379 HZ2 LYS 46 1HZ LYS 46 -4.004 7.055 1.879 380 HZ3 LYS 46 2HZ LYS 46 -3.716 6.008 3.122 381 H ASP 47 H ASP 47 -4.973 4.213 -3.116 382 HA ASP 47 HA ASP 47 -6.816 5.775 -1.647 383 HB2 ASP 47 2HB ASP 47 -5.355 6.466 -3.746 384 HB3 ASP 47 3HB ASP 47 -6.695 5.641 -4.581 385 H GLU 48 H GLU 48 -7.448 3.425 -4.245 386 HA GLU 48 HA GLU 48 -10.309 3.784 -4.220 387 HB2 GLU 48 2HB GLU 48 -8.542 1.477 -5.042 388 HB3 GLU 48 3HB GLU 48 -10.309 1.507 -5.259 389 HG2 GLU 48 2HG GLU 48 -10.068 3.493 -6.801 390 HG3 GLU 48 3HG GLU 48 -8.337 3.444 -6.396 391 H ILE 49 H ILE 49 -8.121 1.689 -2.393 392 HA ILE 49 HA ILE 49 -10.324 0.164 -1.193 393 HB ILE 49 HB ILE 49 -7.372 0.367 -0.438 394 HG12 ILE 49 2HG1 ILE 49 -7.665 -0.482 -2.658 395 HG13 ILE 49 3HG1 ILE 49 -7.104 -1.747 -1.541 396 HG21 ILE 49 1HG2 ILE 49 -7.793 -1.715 0.824 397 HG22 ILE 49 2HG2 ILE 49 -8.797 -0.382 1.438 398 HG23 ILE 49 3HG2 ILE 49 -9.517 -1.629 0.393 399 HD11 ILE 49 3HD1 ILE 49 -9.953 -1.389 -2.532 400 HD12 ILE 49 1HD1 ILE 49 -8.803 -2.623 -3.093 401 HD13 ILE 49 2HD1 ILE 49 -9.392 -2.654 -1.414 402 H LEU 50 H LEU 50 -8.294 2.877 -0.201 403 HA LEU 50 HA LEU 50 -9.320 3.003 2.486 404 HB2 LEU 50 2HB LEU 50 -7.340 3.987 1.779 405 HB3 LEU 50 3HB LEU 50 -8.100 5.181 0.702 406 HG LEU 50 HG LEU 50 -9.318 6.062 2.760 407 HD11 LEU 50 1HD1 LEU 50 -8.226 5.563 4.963 408 HD12 LEU 50 2HD1 LEU 50 -8.898 4.089 4.226 409 HD13 LEU 50 3HD1 LEU 50 -7.148 4.406 4.148 410 HD21 LEU 50 3HD2 LEU 50 -7.472 7.255 1.737 411 HD22 LEU 50 1HD2 LEU 50 -7.387 7.410 3.508 412 HD23 LEU 50 2HD2 LEU 50 -6.297 6.288 2.660 413 H LYS 51 H LYS 51 -10.421 4.379 -0.578 414 HA LYS 51 HA LYS 51 -12.587 5.876 0.732 415 HB2 LYS 51 2HB LYS 51 -11.934 5.259 -2.151 416 HB3 LYS 51 3HB LYS 51 -13.335 6.224 -1.627 417 HG2 LYS 51 2HG LYS 51 -11.850 7.892 -0.639 418 HG3 LYS 51 3HG LYS 51 -10.430 6.912 -1.073 419 HD2 LYS 51 2HD LYS 51 -10.947 7.170 -3.449 420 HD3 LYS 51 3HD LYS 51 -12.416 8.089 -3.047 421 HE2 LYS 51 2HE LYS 51 -11.055 9.834 -1.998 422 HE3 LYS 51 3HE LYS 51 -9.578 8.909 -2.352 423 HZ1 LYS 51 3HZ LYS 51 -11.429 10.018 -4.364 424 HZ2 LYS 51 1HZ LYS 51 -9.954 10.641 -3.973 425 HZ3 LYS 51 2HZ LYS 51 -10.060 9.160 -4.693 426 H ALA 52 H ALA 52 -12.100 2.681 -0.467 427 HA ALA 52 HA ALA 52 -14.814 2.012 -1.060 428 HB1 ALA 52 3HB ALA 52 -12.568 0.256 -0.010 429 HB2 ALA 52 1HB ALA 52 -14.089 -0.320 -0.734 430 HB3 ALA 52 2HB ALA 52 -12.923 0.594 -1.721 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 18.097 -4.079 -3.385 2 H2 GLY 1 2H GLY 1 16.773 -3.494 -3.780 3 H3 GLY 1 3H GLY 1 18.036 -2.722 -4.023 4 HA2 GLY 1 2HA GLY 1 16.416 -2.536 -1.698 5 HA3 GLY 1 3HA GLY 1 17.986 -3.229 -1.230 6 H THR 2 H THR 2 16.703 -0.578 -3.282 7 HA THR 2 HA THR 2 19.040 1.104 -2.592 8 HB THR 2 HB THR 2 18.164 2.688 -4.192 9 HG1 THR 2 HG1 THR 2 16.085 2.160 -5.217 10 HG21 THR 2 3HG2 THR 2 17.737 -0.144 -5.224 11 HG22 THR 2 1HG2 THR 2 18.010 1.300 -6.228 12 HG23 THR 2 2HG2 THR 2 19.297 0.711 -5.148 13 H ILE 3 H ILE 3 18.608 3.430 -2.078 14 HA ILE 3 HA ILE 3 17.202 3.624 0.433 15 HB ILE 3 HB ILE 3 18.226 5.752 -1.498 16 HG12 ILE 3 2HG1 ILE 3 19.301 4.885 1.169 17 HG13 ILE 3 3HG1 ILE 3 19.857 4.243 -0.393 18 HG21 ILE 3 1HG2 ILE 3 17.908 7.344 0.365 19 HG22 ILE 3 2HG2 ILE 3 16.357 6.638 -0.144 20 HG23 ILE 3 3HG2 ILE 3 17.155 6.059 1.337 21 HD11 ILE 3 3HD1 ILE 3 19.995 7.148 0.486 22 HD12 ILE 3 1HD1 ILE 3 21.362 6.013 0.427 23 HD13 ILE 3 2HD1 ILE 3 20.550 6.507 -1.078 24 H ASP 4 H ASP 4 16.282 4.546 -2.859 25 HA ASP 4 HA ASP 4 13.748 5.690 -2.097 26 HB2 ASP 4 2HB ASP 4 14.676 4.465 -4.763 27 HB3 ASP 4 3HB ASP 4 13.106 5.195 -4.344 28 H GLU 5 H GLU 5 14.754 2.396 -2.923 29 HA GLU 5 HA GLU 5 12.067 1.302 -2.797 30 HB2 GLU 5 2HB GLU 5 14.815 0.073 -2.571 31 HB3 GLU 5 3HB GLU 5 13.302 -0.864 -2.535 32 HG2 GLU 5 2HG GLU 5 12.788 -0.133 -4.879 33 HG3 GLU 5 3HG GLU 5 14.201 0.937 -4.742 34 H TRP 6 H TRP 6 14.585 1.938 -0.436 35 HA TRP 6 HA TRP 6 13.347 0.466 1.727 36 HB2 TRP 6 2HB TRP 6 15.295 2.808 1.678 37 HB3 TRP 6 3HB TRP 6 14.771 1.985 3.166 38 HD1 TRP 6 HD1 TRP 6 14.850 -0.803 1.408 39 HE1 TRP 6 HE1 TRP 6 17.253 -2.035 1.279 40 HE3 TRP 6 HE3 TRP 6 17.776 3.169 2.633 41 HZ2 TRP 6 HZ2 TRP 6 19.879 -1.267 1.669 42 HZ3 TRP 6 HZ3 TRP 6 20.177 2.917 2.751 43 HH2 TRP 6 HH2 TRP 6 21.271 0.767 2.286 44 H LEU 7 H LEU 7 13.134 3.852 0.650 45 HA LEU 7 HA LEU 7 11.235 4.652 2.658 46 HB2 LEU 7 2HB LEU 7 11.670 5.530 -0.123 47 HB3 LEU 7 3HB LEU 7 10.737 6.532 1.013 48 HG LEU 7 HG LEU 7 13.649 5.790 1.443 49 HD11 LEU 7 1HD1 LEU 7 14.193 8.105 0.643 50 HD12 LEU 7 2HD1 LEU 7 13.434 7.138 -0.644 51 HD13 LEU 7 3HD1 LEU 7 12.479 8.352 0.240 52 HD21 LEU 7 3HD2 LEU 7 12.427 6.409 3.444 53 HD22 LEU 7 1HD2 LEU 7 13.601 7.682 3.030 54 HD23 LEU 7 2HD2 LEU 7 11.872 7.915 2.674 55 H LEU 8 H LEU 8 10.813 3.406 -0.652 56 HA LEU 8 HA LEU 8 7.942 3.484 -0.601 57 HB2 LEU 8 2HB LEU 8 8.893 3.346 -2.579 58 HB3 LEU 8 3HB LEU 8 10.011 1.999 -2.266 59 HG LEU 8 HG LEU 8 8.079 0.451 -2.142 60 HD11 LEU 8 1HD1 LEU 8 5.840 1.256 -2.939 61 HD12 LEU 8 2HD1 LEU 8 6.353 2.119 -1.469 62 HD13 LEU 8 3HD1 LEU 8 6.494 2.906 -3.059 63 HD21 LEU 8 3HD2 LEU 8 9.282 0.696 -4.233 64 HD22 LEU 8 1HD2 LEU 8 7.552 0.429 -4.556 65 HD23 LEU 8 2HD2 LEU 8 8.244 2.062 -4.704 66 H LYS 9 H LYS 9 10.272 0.974 0.332 67 HA LYS 9 HA LYS 9 8.426 -1.062 1.030 68 HB2 LYS 9 2HB LYS 9 10.855 -1.339 0.999 69 HB3 LYS 9 3HB LYS 9 10.994 -0.260 2.407 70 HG2 LYS 9 2HG LYS 9 9.617 -1.890 3.715 71 HG3 LYS 9 3HG LYS 9 9.669 -2.990 2.317 72 HD2 LYS 9 2HD LYS 9 11.376 -3.557 4.021 73 HD3 LYS 9 3HD LYS 9 12.097 -3.112 2.455 74 HE2 LYS 9 2HE LYS 9 12.431 -0.798 3.333 75 HE3 LYS 9 3HE LYS 9 11.851 -1.358 4.918 76 HZ1 LYS 9 3HZ LYS 9 14.222 -2.390 3.497 77 HZ2 LYS 9 1HZ LYS 9 14.248 -1.370 4.793 78 HZ3 LYS 9 2HZ LYS 9 13.683 -2.911 4.966 79 H GLU 10 H GLU 10 9.441 1.806 2.848 80 HA GLU 10 HA GLU 10 7.765 1.144 5.150 81 HB2 GLU 10 2HB GLU 10 9.109 3.687 4.228 82 HB3 GLU 10 3HB GLU 10 8.175 3.538 5.737 83 HG2 GLU 10 2HG GLU 10 9.841 1.812 6.560 84 HG3 GLU 10 3HG GLU 10 10.619 1.997 4.972 85 H ALA 11 H ALA 11 7.387 3.020 2.187 86 HA ALA 11 HA ALA 11 4.902 4.248 2.880 87 HB1 ALA 11 3HB ALA 11 5.958 3.408 0.159 88 HB2 ALA 11 1HB ALA 11 4.603 4.523 0.449 89 HB3 ALA 11 2HB ALA 11 6.248 4.970 0.960 90 H LYS 12 H LYS 12 5.680 1.094 1.461 91 HA LYS 12 HA LYS 12 2.962 0.351 0.862 92 HB2 LYS 12 2HB LYS 12 5.421 -1.297 1.465 93 HB3 LYS 12 3HB LYS 12 3.870 -1.965 0.907 94 HG2 LYS 12 2HG LYS 12 4.081 -1.006 -1.227 95 HG3 LYS 12 3HG LYS 12 5.313 0.156 -0.680 96 HD2 LYS 12 2HD LYS 12 6.945 -1.623 -0.419 97 HD3 LYS 12 3HD LYS 12 5.717 -2.850 -0.811 98 HE2 LYS 12 2HE LYS 12 5.446 -1.757 -3.052 99 HE3 LYS 12 3HE LYS 12 6.823 -0.705 -2.647 100 HZ1 LYS 12 3HZ LYS 12 6.905 -3.649 -2.813 101 HZ2 LYS 12 1HZ LYS 12 7.508 -2.608 -3.941 102 HZ3 LYS 12 2HZ LYS 12 8.182 -2.675 -2.437 103 H GLU 13 H GLU 13 5.014 -0.189 3.719 104 HA GLU 13 HA GLU 13 2.989 -1.735 5.116 105 HB2 GLU 13 2HB GLU 13 5.461 -0.265 6.037 106 HB3 GLU 13 3HB GLU 13 4.423 -1.242 7.104 107 HG2 GLU 13 2HG GLU 13 4.989 -3.295 5.752 108 HG3 GLU 13 3HG GLU 13 5.869 -2.194 4.667 109 H LYS 14 H LYS 14 3.939 1.688 5.130 110 HA LYS 14 HA LYS 14 2.384 2.313 7.492 111 HB2 LYS 14 2HB LYS 14 3.650 3.959 5.309 112 HB3 LYS 14 3HB LYS 14 2.697 4.685 6.625 113 HG2 LYS 14 2HG LYS 14 4.254 3.770 8.281 114 HG3 LYS 14 3HG LYS 14 5.194 2.992 6.985 115 HD2 LYS 14 2HD LYS 14 6.257 5.083 7.724 116 HD3 LYS 14 3HD LYS 14 5.723 5.186 6.030 117 HE2 LYS 14 2HE LYS 14 3.638 6.320 6.825 118 HE3 LYS 14 3HE LYS 14 4.328 6.337 8.464 119 HZ1 LYS 14 3HZ LYS 14 5.503 7.644 6.095 120 HZ2 LYS 14 1HZ LYS 14 4.706 8.413 7.317 121 HZ3 LYS 14 2HZ LYS 14 6.145 7.661 7.615 122 H ALA 15 H ALA 15 1.709 2.371 4.029 123 HA ALA 15 HA ALA 15 -0.528 4.164 4.238 124 HB1 ALA 15 3HB ALA 15 0.169 2.145 2.078 125 HB2 ALA 15 1HB ALA 15 -1.023 3.457 1.929 126 HB3 ALA 15 2HB ALA 15 0.702 3.841 2.140 127 H ILE 16 H ILE 16 -0.233 0.635 4.296 128 HA ILE 16 HA ILE 16 -3.118 0.221 3.966 129 HB ILE 16 HB ILE 16 -0.972 -1.737 4.899 130 HG12 ILE 16 2HG1 ILE 16 -0.182 -1.053 2.864 131 HG13 ILE 16 3HG1 ILE 16 -1.111 -2.527 2.506 132 HG21 ILE 16 1HG2 ILE 16 -2.566 -3.441 4.086 133 HG22 ILE 16 2HG2 ILE 16 -3.296 -2.440 5.362 134 HG23 ILE 16 3HG2 ILE 16 -3.721 -2.158 3.657 135 HD11 ILE 16 3HD1 ILE 16 -2.070 0.326 2.083 136 HD12 ILE 16 1HD1 ILE 16 -1.517 -0.787 0.811 137 HD13 ILE 16 2HD1 ILE 16 -3.000 -1.150 1.727 138 H GLU 17 H GLU 17 -0.997 0.741 6.643 139 HA GLU 17 HA GLU 17 -2.415 -0.410 8.766 140 HB2 GLU 17 2HB GLU 17 -1.037 2.263 8.538 141 HB3 GLU 17 3HB GLU 17 -1.697 1.628 10.064 142 HG2 GLU 17 2HG GLU 17 0.566 0.328 8.428 143 HG3 GLU 17 3HG GLU 17 0.648 1.286 9.924 144 H GLU 18 H GLU 18 -3.223 2.496 6.922 145 HA GLU 18 HA GLU 18 -5.499 3.247 8.524 146 HB2 GLU 18 2HB GLU 18 -4.857 3.662 5.601 147 HB3 GLU 18 3HB GLU 18 -6.240 4.398 6.447 148 HG2 GLU 18 2HG GLU 18 -4.662 5.686 7.913 149 HG3 GLU 18 3HG GLU 18 -3.357 4.743 7.158 150 H LEU 19 H LEU 19 -5.117 1.061 5.757 151 HA LEU 19 HA LEU 19 -7.924 0.475 5.484 152 HB2 LEU 19 2HB LEU 19 -5.367 -0.557 4.662 153 HB3 LEU 19 3HB LEU 19 -6.632 -1.804 4.563 154 HG LEU 19 HG LEU 19 -7.890 -0.525 2.978 155 HD11 LEU 19 1HD1 LEU 19 -7.150 1.753 2.230 156 HD12 LEU 19 2HD1 LEU 19 -7.497 1.725 3.975 157 HD13 LEU 19 3HD1 LEU 19 -5.813 1.685 3.402 158 HD21 LEU 19 3HD2 LEU 19 -6.052 -1.795 2.037 159 HD22 LEU 19 1HD2 LEU 19 -6.300 -0.304 1.100 160 HD23 LEU 19 2HD2 LEU 19 -4.948 -0.415 2.254 161 H LYS 20 H LYS 20 -5.344 -0.969 7.432 162 HA LYS 20 HA LYS 20 -6.910 -3.110 8.523 163 HB2 LYS 20 2HB LYS 20 -4.655 -1.511 9.746 164 HB3 LYS 20 3HB LYS 20 -5.306 -3.039 10.383 165 HG2 LYS 20 2HG LYS 20 -4.626 -4.163 8.265 166 HG3 LYS 20 3HG LYS 20 -3.881 -2.637 7.732 167 HD2 LYS 20 2HD LYS 20 -2.447 -2.692 9.785 168 HD3 LYS 20 3HD LYS 20 -3.116 -4.299 10.154 169 HE2 LYS 20 2HE LYS 20 -2.225 -5.204 8.097 170 HE3 LYS 20 3HE LYS 20 -1.683 -3.592 7.578 171 HZ1 LYS 20 3HZ LYS 20 -0.666 -5.070 9.920 172 HZ2 LYS 20 1HZ LYS 20 0.124 -4.888 8.483 173 HZ3 LYS 20 2HZ LYS 20 -0.164 -3.574 9.439 174 H LYS 21 H LYS 21 -6.510 0.273 9.531 175 HA LYS 21 HA LYS 21 -8.311 0.058 11.788 176 HB2 LYS 21 2HB LYS 21 -7.406 2.376 10.082 177 HB3 LYS 21 3HB LYS 21 -8.480 2.543 11.491 178 HG2 LYS 21 2HG LYS 21 -6.738 1.670 12.961 179 HG3 LYS 21 3HG LYS 21 -5.667 1.402 11.565 180 HD2 LYS 21 2HD LYS 21 -5.704 3.837 11.097 181 HD3 LYS 21 3HD LYS 21 -6.715 4.081 12.541 182 HE2 LYS 21 2HE LYS 21 -4.945 3.198 13.966 183 HE3 LYS 21 3HE LYS 21 -3.940 2.856 12.540 184 HZ1 LYS 21 3HZ LYS 21 -4.813 5.533 13.420 185 HZ2 LYS 21 1HZ LYS 21 -3.298 4.908 13.609 186 HZ3 LYS 21 2HZ LYS 21 -3.880 5.217 12.097 187 H ALA 22 H ALA 22 -8.768 0.349 8.356 188 HA ALA 22 HA ALA 22 -11.511 1.363 8.648 189 HB1 ALA 22 3HB ALA 22 -9.967 0.449 6.198 190 HB2 ALA 22 1HB ALA 22 -11.558 1.241 6.187 191 HB3 ALA 22 2HB ALA 22 -10.128 2.125 6.770 192 H GLY 23 H GLY 23 -10.032 -1.631 8.891 193 HA2 GLY 23 2HA GLY 23 -11.187 -3.601 9.491 194 HA3 GLY 23 3HA GLY 23 -12.686 -2.920 8.816 195 H ILE 24 H ILE 24 -9.830 -2.667 6.890 196 HA ILE 24 HA ILE 24 -10.956 -4.573 4.912 197 HB ILE 24 HB ILE 24 -8.457 -2.820 4.801 198 HG12 ILE 24 2HG1 ILE 24 -10.440 -1.486 5.010 199 HG13 ILE 24 3HG1 ILE 24 -9.712 -1.342 3.394 200 HG21 ILE 24 1HG2 ILE 24 -8.558 -3.272 2.373 201 HG22 ILE 24 2HG2 ILE 24 -8.370 -4.780 3.297 202 HG23 ILE 24 3HG2 ILE 24 -9.959 -4.338 2.630 203 HD11 ILE 24 3HD1 ILE 24 -12.149 -3.012 4.104 204 HD12 ILE 24 1HD1 ILE 24 -12.169 -1.450 3.256 205 HD13 ILE 24 2HD1 ILE 24 -11.420 -2.869 2.487 206 H THR 25 H THR 25 -10.430 -6.546 4.608 207 HA THR 25 HA THR 25 -7.893 -7.527 5.876 208 HB THR 25 HB THR 25 -9.080 -9.636 6.417 209 HG1 THR 25 HG1 THR 25 -11.401 -9.602 6.264 210 HG21 THR 25 3HG2 THR 25 -10.433 -7.158 7.555 211 HG22 THR 25 1HG2 THR 25 -10.434 -8.775 8.295 212 HG23 THR 25 2HG2 THR 25 -8.910 -7.869 8.137 213 H SER 26 H SER 26 -8.706 -6.722 3.078 214 HA SER 26 HA SER 26 -8.701 -9.255 1.527 215 HB2 SER 26 2HB SER 26 -10.019 -7.545 0.744 216 HB3 SER 26 3HB SER 26 -8.649 -6.411 0.723 217 HG SER 26 HG SER 26 -9.032 -8.723 -0.862 218 H ASP 27 H ASP 27 -6.734 -10.302 1.922 219 HA ASP 27 HA ASP 27 -4.156 -9.028 1.733 220 HB2 ASP 27 2HB ASP 27 -4.985 -11.960 1.306 221 HB3 ASP 27 3HB ASP 27 -3.367 -11.223 1.203 222 H TYR 28 H TYR 28 -6.441 -10.149 -0.654 223 HA TYR 28 HA TYR 28 -4.738 -10.326 -2.919 224 HB2 TYR 28 2HB TYR 28 -7.060 -11.001 -2.972 225 HB3 TYR 28 3HB TYR 28 -7.579 -9.324 -2.670 226 HD1 TYR 28 HD1 TYR 28 -5.903 -11.535 -5.156 227 HD2 TYR 28 HD2 TYR 28 -7.826 -7.792 -4.467 228 HE1 TYR 28 HE1 TYR 28 -5.943 -11.115 -7.597 229 HE2 TYR 28 HE2 TYR 28 -7.874 -7.357 -6.900 230 HH TYR 28 HH TYR 28 -7.342 -8.135 -8.972 231 H TYR 29 H TYR 29 -6.589 -7.471 -1.805 232 HA TYR 29 HA TYR 29 -5.314 -5.744 -3.766 233 HB2 TYR 29 2HB TYR 29 -6.987 -5.224 -1.306 234 HB3 TYR 29 3HB TYR 29 -6.356 -3.935 -2.359 235 HD1 TYR 29 HD2 TYR 29 -6.863 -4.432 -4.978 236 HD2 TYR 29 HD1 TYR 29 -9.183 -5.863 -1.699 237 HE1 TYR 29 HE2 TYR 29 -8.807 -4.694 -6.482 238 HE2 TYR 29 HE1 TYR 29 -11.142 -6.130 -3.192 239 HH TYR 29 HH TYR 29 -10.990 -5.317 -6.661 240 H PHE 30 H PHE 30 -4.673 -6.583 -0.409 241 HA PHE 30 HA PHE 30 -2.615 -4.634 0.059 242 HB2 PHE 30 2HB PHE 30 -3.017 -7.451 1.150 243 HB3 PHE 30 3HB PHE 30 -1.789 -6.310 1.745 244 HD1 PHE 30 HD2 PHE 30 -4.683 -4.555 0.760 245 HD2 PHE 30 HD1 PHE 30 -3.065 -6.961 3.898 246 HE1 PHE 30 HE2 PHE 30 -6.331 -3.602 2.338 247 HE2 PHE 30 HE1 PHE 30 -4.712 -6.012 5.478 248 HZ PHE 30 HZ PHE 30 -6.346 -4.333 4.698 249 H ASP 31 H ASP 31 -2.673 -7.615 -1.772 250 HA ASP 31 HA ASP 31 0.208 -7.836 -2.056 251 HB2 ASP 31 2HB ASP 31 -1.612 -9.697 -2.537 252 HB3 ASP 31 3HB ASP 31 -1.853 -8.678 -3.978 253 H LEU 32 H LEU 32 -2.289 -6.001 -3.698 254 HA LEU 32 HA LEU 32 -0.911 -5.710 -6.197 255 HB2 LEU 32 2HB LEU 32 -3.133 -4.601 -4.767 256 HB3 LEU 32 3HB LEU 32 -2.543 -3.452 -5.990 257 HG LEU 32 HG LEU 32 -2.785 -5.295 -7.700 258 HD11 LEU 32 1HD1 LEU 32 -4.307 -7.195 -7.095 259 HD12 LEU 32 2HD1 LEU 32 -2.833 -7.208 -6.100 260 HD13 LEU 32 3HD1 LEU 32 -4.361 -6.599 -5.420 261 HD21 LEU 32 3HD2 LEU 32 -4.408 -3.503 -7.529 262 HD22 LEU 32 1HD2 LEU 32 -5.231 -5.031 -7.925 263 HD23 LEU 32 2HD2 LEU 32 -5.296 -4.388 -6.267 264 H ILE 33 H ILE 33 -0.805 -3.861 -3.200 265 HA ILE 33 HA ILE 33 0.778 -1.678 -4.311 266 HB ILE 33 HB ILE 33 1.239 -1.130 -1.929 267 HG12 ILE 33 2HG1 ILE 33 -0.499 -3.336 -0.995 268 HG13 ILE 33 3HG1 ILE 33 1.177 -3.723 -1.450 269 HG21 ILE 33 1HG2 ILE 33 -1.095 -0.743 -1.213 270 HG22 ILE 33 2HG2 ILE 33 -0.886 -0.373 -2.940 271 HG23 ILE 33 3HG2 ILE 33 -1.664 -1.894 -2.445 272 HD11 ILE 33 3HD1 ILE 33 0.325 -1.651 0.603 273 HD12 ILE 33 1HD1 ILE 33 0.994 -3.258 0.963 274 HD13 ILE 33 2HD1 ILE 33 2.001 -2.037 0.147 275 H ASN 34 H ASN 34 1.510 -4.888 -3.344 276 HA ASN 34 HA ASN 34 4.355 -4.384 -2.890 277 HB2 ASN 34 2HB ASN 34 2.972 -7.133 -3.355 278 HB3 ASN 34 3HB ASN 34 4.640 -6.560 -3.113 279 HD21 ASN 34 1HD2 ASN 34 2.648 -8.243 -1.540 280 HD22 ASN 34 2HD2 ASN 34 2.713 -7.575 0.058 281 H LYS 35 H LYS 35 2.364 -5.416 -5.639 282 HA LYS 35 HA LYS 35 4.557 -5.564 -7.512 283 HB2 LYS 35 2HB LYS 35 2.284 -6.454 -7.907 284 HB3 LYS 35 3HB LYS 35 1.674 -4.784 -7.974 285 HG2 LYS 35 2HG LYS 35 3.019 -4.330 -9.951 286 HG3 LYS 35 3HG LYS 35 3.752 -5.949 -9.857 287 HD2 LYS 35 2HD LYS 35 1.540 -6.972 -10.212 288 HD3 LYS 35 3HD LYS 35 0.807 -5.353 -10.306 289 HE2 LYS 35 2HE LYS 35 2.205 -4.837 -12.264 290 HE3 LYS 35 3HE LYS 35 2.927 -6.459 -12.175 291 HZ1 LYS 35 3HZ LYS 35 0.076 -5.877 -12.657 292 HZ2 LYS 35 1HZ LYS 35 1.162 -6.360 -13.801 293 HZ3 LYS 35 2HZ LYS 35 0.745 -7.382 -12.574 294 H ALA 36 H ALA 36 2.979 -2.924 -5.940 295 HA ALA 36 HA ALA 36 3.422 -0.996 -8.060 296 HB1 ALA 36 3HB ALA 36 2.815 -0.593 -5.111 297 HB2 ALA 36 1HB ALA 36 2.746 0.663 -6.367 298 HB3 ALA 36 2HB ALA 36 1.617 -0.711 -6.421 299 H LYS 37 H LYS 37 5.694 -1.611 -8.423 300 HA LYS 37 HA LYS 37 7.738 -1.056 -6.489 301 HB2 LYS 37 2HB LYS 37 7.908 -2.379 -8.645 302 HB3 LYS 37 3HB LYS 37 7.990 -0.812 -9.484 303 HG2 LYS 37 2HG LYS 37 10.041 -0.238 -8.341 304 HG3 LYS 37 3HG LYS 37 9.925 -1.690 -7.317 305 HD2 LYS 37 2HD LYS 37 10.082 -3.092 -9.382 306 HD3 LYS 37 3HD LYS 37 10.353 -1.605 -10.321 307 HE2 LYS 37 2HE LYS 37 12.368 -1.126 -9.035 308 HE3 LYS 37 3HE LYS 37 12.086 -2.561 -8.022 309 HZ1 LYS 37 3HZ LYS 37 12.624 -2.588 -10.924 310 HZ2 LYS 37 1HZ LYS 37 13.704 -2.991 -9.744 311 HZ3 LYS 37 2HZ LYS 37 12.361 -3.919 -9.985 312 H THR 38 H THR 38 5.616 1.061 -7.996 313 HA THR 38 HA THR 38 7.451 3.337 -7.329 314 HB THR 38 HB THR 38 5.953 4.773 -8.574 315 HG1 THR 38 HG1 THR 38 4.341 2.480 -9.119 316 HG21 THR 38 3HG2 THR 38 6.436 2.197 -10.123 317 HG22 THR 38 1HG2 THR 38 6.115 3.796 -10.836 318 HG23 THR 38 2HG2 THR 38 7.609 3.518 -9.910 319 H VAL 39 H VAL 39 6.811 4.978 -5.974 320 HA VAL 39 HA VAL 39 5.094 4.226 -3.745 321 HB VAL 39 HB VAL 39 6.259 6.910 -4.595 322 HG11 VAL 39 1HG1 VAL 39 5.681 7.647 -2.306 323 HG12 VAL 39 2HG1 VAL 39 4.224 7.195 -3.221 324 HG13 VAL 39 3HG1 VAL 39 4.891 6.083 -2.002 325 HG21 VAL 39 3HG2 VAL 39 7.953 5.277 -4.014 326 HG22 VAL 39 1HG2 VAL 39 7.837 6.539 -2.766 327 HG23 VAL 39 2HG2 VAL 39 7.123 4.934 -2.477 328 H GLU 40 H GLU 40 4.608 6.172 -6.651 329 HA GLU 40 HA GLU 40 2.043 7.214 -5.863 330 HB2 GLU 40 2HB GLU 40 3.300 6.695 -8.559 331 HB3 GLU 40 3HB GLU 40 1.724 7.492 -8.334 332 HG2 GLU 40 2HG GLU 40 2.873 9.361 -7.079 333 HG3 GLU 40 3HG GLU 40 4.360 8.403 -7.256 334 H GLY 41 H GLY 41 3.030 4.214 -7.441 335 HA2 GLY 41 2HA GLY 41 0.448 3.281 -8.169 336 HA3 GLY 41 3HA GLY 41 1.850 2.256 -7.787 337 H VAL 42 H VAL 42 2.312 2.874 -5.145 338 HA VAL 42 HA VAL 42 0.437 1.111 -3.849 339 HB VAL 42 HB VAL 42 2.463 3.067 -2.689 340 HG11 VAL 42 1HG1 VAL 42 2.216 1.760 -0.605 341 HG12 VAL 42 2HG1 VAL 42 0.680 2.531 -1.063 342 HG13 VAL 42 3HG1 VAL 42 0.929 0.794 -1.363 343 HG21 VAL 42 3HG2 VAL 42 3.479 1.347 -4.059 344 HG22 VAL 42 1HG2 VAL 42 3.834 1.077 -2.337 345 HG23 VAL 42 2HG2 VAL 42 2.604 0.086 -3.158 346 H ASN 43 H ASN 43 0.699 4.647 -3.851 347 HA ASN 43 HA ASN 43 -1.550 4.975 -2.033 348 HB2 ASN 43 2HB ASN 43 0.323 6.868 -2.566 349 HB3 ASN 43 3HB ASN 43 -0.635 6.750 -4.063 350 HD21 ASN 43 1HD2 ASN 43 -1.761 8.529 -4.225 351 HD22 ASN 43 2HD2 ASN 43 -2.749 9.228 -2.984 352 H ALA 44 H ALA 44 -1.166 5.009 -5.560 353 HA ALA 44 HA ALA 44 -3.856 5.842 -6.104 354 HB1 ALA 44 3HB ALA 44 -1.925 4.241 -7.817 355 HB2 ALA 44 1HB ALA 44 -3.411 5.033 -8.389 356 HB3 ALA 44 2HB ALA 44 -2.063 6.014 -7.769 357 H LEU 45 H LEU 45 -2.342 2.619 -5.928 358 HA LEU 45 HA LEU 45 -4.715 1.138 -6.549 359 HB2 LEU 45 2HB LEU 45 -2.390 0.544 -4.838 360 HB3 LEU 45 3HB LEU 45 -3.474 -0.762 -5.369 361 HG LEU 45 HG LEU 45 -2.074 0.969 -7.400 362 HD11 LEU 45 1HD1 LEU 45 -0.190 -0.687 -7.450 363 HD12 LEU 45 2HD1 LEU 45 -0.284 0.138 -5.876 364 HD13 LEU 45 3HD1 LEU 45 -0.906 -1.520 -6.052 365 HD21 LEU 45 3HD2 LEU 45 -3.838 -0.513 -8.156 366 HD22 LEU 45 1HD2 LEU 45 -2.267 -1.072 -8.779 367 HD23 LEU 45 2HD2 LEU 45 -3.027 -1.908 -7.404 368 H LYS 46 H LYS 46 -3.289 1.981 -3.383 369 HA LYS 46 HA LYS 46 -5.364 0.755 -1.838 370 HB2 LYS 46 2HB LYS 46 -3.026 1.645 -1.165 371 HB3 LYS 46 3HB LYS 46 -3.863 3.204 -0.969 372 HG2 LYS 46 2HG LYS 46 -5.512 1.846 0.527 373 HG3 LYS 46 3HG LYS 46 -4.196 0.649 0.597 374 HD2 LYS 46 2HD LYS 46 -3.892 2.036 2.497 375 HD3 LYS 46 3HD LYS 46 -2.675 2.564 1.310 376 HE2 LYS 46 2HE LYS 46 -4.143 4.409 0.619 377 HE3 LYS 46 3HE LYS 46 -5.364 3.882 1.801 378 HZ1 LYS 46 3HZ LYS 46 -2.641 4.815 2.449 379 HZ2 LYS 46 1HZ LYS 46 -4.026 5.687 2.649 380 HZ3 LYS 46 2HZ LYS 46 -3.772 4.326 3.545 381 H ASP 47 H ASP 47 -5.146 3.891 -3.398 382 HA ASP 47 HA ASP 47 -6.957 5.380 -1.860 383 HB2 ASP 47 2HB ASP 47 -5.576 6.112 -4.010 384 HB3 ASP 47 3HB ASP 47 -6.977 5.347 -4.797 385 H GLU 48 H GLU 48 -7.678 3.013 -4.401 386 HA GLU 48 HA GLU 48 -10.526 3.462 -4.400 387 HB2 GLU 48 2HB GLU 48 -8.831 1.074 -5.137 388 HB3 GLU 48 3HB GLU 48 -10.595 1.152 -5.362 389 HG2 GLU 48 2HG GLU 48 -10.286 3.080 -6.965 390 HG3 GLU 48 3HG GLU 48 -8.559 2.987 -6.554 391 H ILE 49 H ILE 49 -8.409 1.394 -2.469 392 HA ILE 49 HA ILE 49 -10.671 0.023 -1.179 393 HB ILE 49 HB ILE 49 -7.720 0.138 -0.401 394 HG12 ILE 49 2HG1 ILE 49 -8.018 -0.727 -2.633 395 HG13 ILE 49 3HG1 ILE 49 -7.460 -1.969 -1.487 396 HG21 ILE 49 1HG2 ILE 49 -8.243 -1.915 0.872 397 HG22 ILE 49 2HG2 ILE 49 -9.222 -0.543 1.440 398 HG23 ILE 49 3HG2 ILE 49 -9.951 -1.780 0.389 399 HD11 ILE 49 3HD1 ILE 49 -10.306 -1.632 -2.497 400 HD12 ILE 49 1HD1 ILE 49 -9.153 -2.878 -3.029 401 HD13 ILE 49 2HD1 ILE 49 -9.748 -2.873 -1.351 402 H LEU 50 H LEU 50 -8.447 2.637 -0.309 403 HA LEU 50 HA LEU 50 -9.447 2.939 2.369 404 HB2 LEU 50 2HB LEU 50 -7.400 3.740 1.614 405 HB3 LEU 50 3HB LEU 50 -8.076 4.958 0.508 406 HG LEU 50 HG LEU 50 -9.190 6.008 2.536 407 HD11 LEU 50 1HD1 LEU 50 -8.158 5.471 4.759 408 HD12 LEU 50 2HD1 LEU 50 -8.963 4.048 4.060 409 HD13 LEU 50 3HD1 LEU 50 -7.191 4.194 3.985 410 HD21 LEU 50 3HD2 LEU 50 -7.236 6.990 1.491 411 HD22 LEU 50 1HD2 LEU 50 -7.143 7.187 3.257 412 HD23 LEU 50 2HD2 LEU 50 -6.161 5.942 2.448 413 H LYS 51 H LYS 51 -10.516 4.200 -0.738 414 HA LYS 51 HA LYS 51 -12.652 5.758 0.653 415 HB2 LYS 51 2HB LYS 51 -11.729 5.698 -2.223 416 HB3 LYS 51 3HB LYS 51 -13.087 6.666 -1.605 417 HG2 LYS 51 2HG LYS 51 -11.544 7.908 -0.146 418 HG3 LYS 51 3HG LYS 51 -10.183 6.937 -0.756 419 HD2 LYS 51 2HD LYS 51 -10.572 7.792 -3.023 420 HD3 LYS 51 3HD LYS 51 -11.958 8.741 -2.435 421 HE2 LYS 51 2HE LYS 51 -10.487 10.037 -0.983 422 HE3 LYS 51 3HE LYS 51 -9.093 9.059 -1.494 423 HZ1 LYS 51 3HZ LYS 51 -10.702 10.798 -3.251 424 HZ2 LYS 51 1HZ LYS 51 -9.196 11.146 -2.677 425 HZ3 LYS 51 2HZ LYS 51 -9.410 9.891 -3.726 426 H ALA 52 H ALA 52 -12.405 2.718 0.144 427 HA ALA 52 HA ALA 52 -14.545 2.051 -1.650 428 HB1 ALA 52 3HB ALA 52 -13.420 0.506 0.712 429 HB2 ALA 52 1HB ALA 52 -14.476 -0.157 -0.557 430 HB3 ALA 52 2HB ALA 52 -12.843 0.419 -0.969 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 15.414 -3.116 -1.845 2 H2 GLY 1 2H GLY 1 15.803 -3.322 -0.411 3 H3 GLY 1 3H GLY 1 15.646 -1.932 -0.952 4 HA2 GLY 1 2HA GLY 1 18.071 -3.408 -0.892 5 HA3 GLY 1 3HA GLY 1 17.610 -3.163 -2.593 6 H THR 2 H THR 2 16.774 -0.771 -2.955 7 HA THR 2 HA THR 2 19.061 0.945 -2.184 8 HB THR 2 HB THR 2 18.250 2.489 -3.857 9 HG1 THR 2 HG1 THR 2 16.220 1.787 -4.998 10 HG21 THR 2 3HG2 THR 2 17.902 -0.367 -4.851 11 HG22 THR 2 1HG2 THR 2 18.210 1.060 -5.869 12 HG23 THR 2 2HG2 THR 2 19.447 0.506 -4.715 13 H ILE 3 H ILE 3 18.595 3.274 -1.735 14 HA ILE 3 HA ILE 3 17.044 3.508 0.691 15 HB ILE 3 HB ILE 3 18.193 5.602 -1.207 16 HG12 ILE 3 2HG1 ILE 3 19.100 4.775 1.534 17 HG13 ILE 3 3HG1 ILE 3 19.748 4.106 0.018 18 HG21 ILE 3 1HG2 ILE 3 17.768 7.226 0.608 19 HG22 ILE 3 2HG2 ILE 3 16.249 6.515 0.016 20 HG23 ILE 3 3HG2 ILE 3 16.952 5.957 1.552 21 HD11 ILE 3 3HD1 ILE 3 19.842 7.025 0.857 22 HD12 ILE 3 1HD1 ILE 3 21.207 5.885 0.900 23 HD13 ILE 3 2HD1 ILE 3 20.490 6.356 -0.659 24 H ASP 4 H ASP 4 16.327 4.365 -2.667 25 HA ASP 4 HA ASP 4 13.756 5.529 -2.095 26 HB2 ASP 4 2HB ASP 4 14.833 4.209 -4.659 27 HB3 ASP 4 3HB ASP 4 13.244 4.956 -4.358 28 H GLU 5 H GLU 5 14.795 2.206 -2.759 29 HA GLU 5 HA GLU 5 12.102 1.119 -2.718 30 HB2 GLU 5 2HB GLU 5 14.834 -0.101 -2.316 31 HB3 GLU 5 3HB GLU 5 13.320 -1.036 -2.313 32 HG2 GLU 5 2HG GLU 5 12.916 -0.394 -4.706 33 HG3 GLU 5 3HG GLU 5 14.326 0.676 -4.545 34 H TRP 6 H TRP 6 14.510 1.838 -0.266 35 HA TRP 6 HA TRP 6 13.162 0.467 1.895 36 HB2 TRP 6 2HB TRP 6 15.108 2.812 1.844 37 HB3 TRP 6 3HB TRP 6 14.515 2.045 3.336 38 HD1 TRP 6 HD1 TRP 6 14.694 -0.797 1.640 39 HE1 TRP 6 HE1 TRP 6 17.100 -2.026 1.696 40 HE3 TRP 6 HE3 TRP 6 17.528 3.203 2.980 41 HZ2 TRP 6 HZ2 TRP 6 19.694 -1.247 2.244 42 HZ3 TRP 6 HZ3 TRP 6 19.917 2.959 3.265 43 HH2 TRP 6 HH2 TRP 6 21.040 0.802 2.915 44 H LEU 7 H LEU 7 12.998 3.797 0.649 45 HA LEU 7 HA LEU 7 11.011 4.694 2.525 46 HB2 LEU 7 2HB LEU 7 11.581 5.421 -0.274 47 HB3 LEU 7 3HB LEU 7 10.575 6.473 0.747 48 HG LEU 7 HG LEU 7 13.467 5.792 1.373 49 HD11 LEU 7 1HD1 LEU 7 14.026 8.073 0.489 50 HD12 LEU 7 2HD1 LEU 7 13.347 7.034 -0.786 51 HD13 LEU 7 3HD1 LEU 7 12.332 8.276 -0.015 52 HD21 LEU 7 3HD2 LEU 7 12.135 6.492 3.274 53 HD22 LEU 7 1HD2 LEU 7 13.314 7.760 2.860 54 HD23 LEU 7 2HD2 LEU 7 11.604 7.950 2.402 55 H LEU 8 H LEU 8 10.735 3.258 -0.723 56 HA LEU 8 HA LEU 8 7.864 3.304 -0.791 57 HB2 LEU 8 2HB LEU 8 8.909 3.057 -2.715 58 HB3 LEU 8 3HB LEU 8 10.009 1.732 -2.273 59 HG LEU 8 HG LEU 8 8.082 0.187 -2.152 60 HD11 LEU 8 1HD1 LEU 8 5.867 0.938 -3.060 61 HD12 LEU 8 2HD1 LEU 8 6.327 1.875 -1.619 62 HD13 LEU 8 3HD1 LEU 8 6.518 2.584 -3.241 63 HD21 LEU 8 3HD2 LEU 8 9.353 0.336 -4.211 64 HD22 LEU 8 1HD2 LEU 8 7.636 0.043 -4.577 65 HD23 LEU 8 2HD2 LEU 8 8.326 1.672 -4.782 66 H LYS 9 H LYS 9 10.179 0.875 0.374 67 HA LYS 9 HA LYS 9 8.312 -1.116 1.153 68 HB2 LYS 9 2HB LYS 9 10.743 -1.394 1.191 69 HB3 LYS 9 3HB LYS 9 10.849 -0.232 2.536 70 HG2 LYS 9 2HG LYS 9 9.436 -1.784 3.904 71 HG3 LYS 9 3HG LYS 9 9.529 -2.965 2.575 72 HD2 LYS 9 2HD LYS 9 11.188 -3.428 4.352 73 HD3 LYS 9 3HD LYS 9 11.954 -3.064 2.786 74 HE2 LYS 9 2HE LYS 9 12.256 -0.706 3.544 75 HE3 LYS 9 3HE LYS 9 11.627 -1.179 5.138 76 HZ1 LYS 9 3HZ LYS 9 14.043 -2.278 3.854 77 HZ2 LYS 9 1HZ LYS 9 14.028 -1.189 5.091 78 HZ3 LYS 9 2HZ LYS 9 13.460 -2.719 5.333 79 H GLU 10 H GLU 10 9.298 1.860 2.807 80 HA GLU 10 HA GLU 10 7.579 1.346 5.114 81 HB2 GLU 10 2HB GLU 10 8.948 3.821 4.056 82 HB3 GLU 10 3HB GLU 10 7.979 3.779 5.548 83 HG2 GLU 10 2HG GLU 10 9.615 2.126 6.540 84 HG3 GLU 10 3HG GLU 10 10.420 2.159 4.954 85 H ALA 11 H ALA 11 7.253 3.025 2.030 86 HA ALA 11 HA ALA 11 4.762 4.300 2.595 87 HB1 ALA 11 3HB ALA 11 5.853 3.264 -0.044 88 HB2 ALA 11 1HB ALA 11 4.498 4.400 0.147 89 HB3 ALA 11 2HB ALA 11 6.137 4.879 0.647 90 H LYS 12 H LYS 12 5.549 1.049 1.428 91 HA LYS 12 HA LYS 12 2.835 0.275 0.845 92 HB2 LYS 12 2HB LYS 12 5.277 -1.341 1.589 93 HB3 LYS 12 3HB LYS 12 3.730 -2.033 1.045 94 HG2 LYS 12 2HG LYS 12 3.991 -1.227 -1.140 95 HG3 LYS 12 3HG LYS 12 5.203 -0.019 -0.648 96 HD2 LYS 12 2HD LYS 12 6.833 -1.781 -0.213 97 HD3 LYS 12 3HD LYS 12 5.621 -3.027 -0.597 98 HE2 LYS 12 2HE LYS 12 5.444 -2.070 -2.894 99 HE3 LYS 12 3HE LYS 12 6.768 -0.955 -2.490 100 HZ1 LYS 12 3HZ LYS 12 6.949 -3.900 -2.495 101 HZ2 LYS 12 1HZ LYS 12 7.566 -2.899 -3.652 102 HZ3 LYS 12 2HZ LYS 12 8.178 -2.865 -2.121 103 H GLU 13 H GLU 13 4.861 -0.098 3.748 104 HA GLU 13 HA GLU 13 2.823 -1.577 5.199 105 HB2 GLU 13 2HB GLU 13 5.300 -0.084 6.068 106 HB3 GLU 13 3HB GLU 13 4.253 -1.008 7.172 107 HG2 GLU 13 2HG GLU 13 4.806 -3.119 5.898 108 HG3 GLU 13 3HG GLU 13 5.712 -2.066 4.787 109 H LYS 14 H LYS 14 3.786 1.838 5.065 110 HA LYS 14 HA LYS 14 2.215 2.576 7.386 111 HB2 LYS 14 2HB LYS 14 3.493 4.128 5.140 112 HB3 LYS 14 3HB LYS 14 2.557 4.903 6.440 113 HG2 LYS 14 2HG LYS 14 4.126 3.958 8.107 114 HG3 LYS 14 3HG LYS 14 5.080 3.247 6.783 115 HD2 LYS 14 2HD LYS 14 6.030 5.388 7.626 116 HD3 LYS 14 3HD LYS 14 5.593 5.442 5.902 117 HE2 LYS 14 2HE LYS 14 4.775 7.466 6.745 118 HE3 LYS 14 3HE LYS 14 3.345 6.409 6.694 119 HZ1 LYS 14 3HZ LYS 14 4.975 6.974 9.088 120 HZ2 LYS 14 1HZ LYS 14 3.488 7.613 8.767 121 HZ3 LYS 14 2HZ LYS 14 3.650 5.994 9.040 122 H ALA 15 H ALA 15 1.564 2.425 3.932 123 HA ALA 15 HA ALA 15 -0.714 4.195 4.036 124 HB1 ALA 15 3HB ALA 15 0.073 2.116 1.966 125 HB2 ALA 15 1HB ALA 15 -1.156 3.384 1.751 126 HB3 ALA 15 2HB ALA 15 0.553 3.829 1.967 127 H ILE 16 H ILE 16 -0.335 0.664 4.127 128 HA ILE 16 HA ILE 16 -3.219 0.189 3.910 129 HB ILE 16 HB ILE 16 -1.001 -1.704 4.813 130 HG12 ILE 16 2HG1 ILE 16 -0.302 -1.050 2.734 131 HG13 ILE 16 3HG1 ILE 16 -1.207 -2.554 2.448 132 HG21 ILE 16 1HG2 ILE 16 -2.588 -3.460 4.099 133 HG22 ILE 16 2HG2 ILE 16 -3.292 -2.443 5.376 134 HG23 ILE 16 3HG2 ILE 16 -3.784 -2.211 3.683 135 HD11 ILE 16 3HD1 ILE 16 -2.250 0.262 1.989 136 HD12 ILE 16 1HD1 ILE 16 -1.717 -0.869 0.725 137 HD13 ILE 16 2HD1 ILE 16 -3.155 -1.242 1.704 138 H GLU 17 H GLU 17 -1.023 0.806 6.506 139 HA GLU 17 HA GLU 17 -2.356 -0.326 8.696 140 HB2 GLU 17 2HB GLU 17 -0.255 0.967 8.784 141 HB3 GLU 17 3HB GLU 17 -1.191 2.456 8.512 142 HG2 GLU 17 2HG GLU 17 -2.382 2.069 10.719 143 HG3 GLU 17 3HG GLU 17 -1.441 0.564 10.813 144 H GLU 18 H GLU 18 -3.249 2.556 6.847 145 HA GLU 18 HA GLU 18 -5.490 3.295 8.498 146 HB2 GLU 18 2HB GLU 18 -4.930 3.679 5.554 147 HB3 GLU 18 3HB GLU 18 -6.306 4.403 6.424 148 HG2 GLU 18 2HG GLU 18 -4.717 5.737 7.836 149 HG3 GLU 18 3HG GLU 18 -3.414 4.807 7.062 150 H LEU 19 H LEU 19 -5.174 1.096 5.728 151 HA LEU 19 HA LEU 19 -7.969 0.434 5.578 152 HB2 LEU 19 2HB LEU 19 -5.424 -0.533 4.667 153 HB3 LEU 19 3HB LEU 19 -6.638 -1.834 4.663 154 HG LEU 19 HG LEU 19 -8.005 -0.692 3.086 155 HD11 LEU 19 1HD1 LEU 19 -7.479 1.628 2.289 156 HD12 LEU 19 2HD1 LEU 19 -7.767 1.598 4.044 157 HD13 LEU 19 3HD1 LEU 19 -6.104 1.687 3.417 158 HD21 LEU 19 3HD2 LEU 19 -6.100 -1.821 2.100 159 HD22 LEU 19 1HD2 LEU 19 -6.500 -0.368 1.155 160 HD23 LEU 19 2HD2 LEU 19 -5.108 -0.352 2.265 161 H LYS 20 H LYS 20 -5.282 -0.919 7.447 162 HA LYS 20 HA LYS 20 -6.753 -3.096 8.601 163 HB2 LYS 20 2HB LYS 20 -4.475 -1.455 9.720 164 HB3 LYS 20 3HB LYS 20 -5.067 -2.997 10.385 165 HG2 LYS 20 2HG LYS 20 -4.477 -4.088 8.208 166 HG3 LYS 20 3HG LYS 20 -3.747 -2.552 7.687 167 HD2 LYS 20 2HD LYS 20 -2.235 -2.648 9.667 168 HD3 LYS 20 3HD LYS 20 -2.918 -4.241 10.070 169 HE2 LYS 20 2HE LYS 20 -2.143 -5.146 7.944 170 HE3 LYS 20 3HE LYS 20 -1.528 -3.547 7.464 171 HZ1 LYS 20 3HZ LYS 20 -0.555 -5.145 9.745 172 HZ2 LYS 20 1HZ LYS 20 0.224 -4.960 8.303 173 HZ3 LYS 20 2HZ LYS 20 0.016 -3.662 9.302 174 H LYS 21 H LYS 21 -6.395 0.298 9.571 175 HA LYS 21 HA LYS 21 -8.036 0.056 11.941 176 HB2 LYS 21 2HB LYS 21 -7.336 2.372 10.137 177 HB3 LYS 21 3HB LYS 21 -8.332 2.531 11.604 178 HG2 LYS 21 2HG LYS 21 -6.471 1.749 12.983 179 HG3 LYS 21 3HG LYS 21 -5.473 1.508 11.529 180 HD2 LYS 21 2HD LYS 21 -5.640 3.929 11.036 181 HD3 LYS 21 3HD LYS 21 -6.586 4.152 12.527 182 HE2 LYS 21 2HE LYS 21 -4.703 3.351 13.864 183 HE3 LYS 21 3HE LYS 21 -3.755 3.069 12.385 184 HZ1 LYS 21 3HZ LYS 21 -4.731 5.690 13.323 185 HZ2 LYS 21 1HZ LYS 21 -3.175 5.151 13.430 186 HZ3 LYS 21 2HZ LYS 21 -3.853 5.430 11.951 187 H ALA 22 H ALA 22 -8.739 0.297 8.540 188 HA ALA 22 HA ALA 22 -11.516 1.137 9.032 189 HB1 ALA 22 3HB ALA 22 -10.087 0.349 6.470 190 HB2 ALA 22 1HB ALA 22 -11.727 1.031 6.579 191 HB3 ALA 22 2HB ALA 22 -10.322 2.006 7.073 192 H GLY 23 H GLY 23 -9.843 -1.742 9.189 193 HA2 GLY 23 2HA GLY 23 -10.827 -3.795 9.813 194 HA3 GLY 23 3HA GLY 23 -12.398 -3.220 9.208 195 H ILE 24 H ILE 24 -9.676 -2.725 7.152 196 HA ILE 24 HA ILE 24 -10.680 -4.841 5.295 197 HB ILE 24 HB ILE 24 -8.629 -2.624 4.850 198 HG12 ILE 24 2HG1 ILE 24 -10.760 -1.661 5.291 199 HG13 ILE 24 3HG1 ILE 24 -10.342 -1.501 3.568 200 HG21 ILE 24 1HG2 ILE 24 -8.947 -3.170 2.460 201 HG22 ILE 24 2HG2 ILE 24 -8.346 -4.579 3.364 202 HG23 ILE 24 3HG2 ILE 24 -10.063 -4.481 2.907 203 HD11 ILE 24 3HD1 ILE 24 -12.263 -3.537 4.751 204 HD12 ILE 24 1HD1 ILE 24 -12.722 -2.069 3.858 205 HD13 ILE 24 2HD1 ILE 24 -11.845 -3.377 3.029 206 H THR 25 H THR 25 -9.765 -6.658 4.917 207 HA THR 25 HA THR 25 -6.923 -7.013 5.796 208 HB THR 25 HB THR 25 -7.504 -9.286 6.590 209 HG1 THR 25 HG1 THR 25 -9.766 -9.768 6.835 210 HG21 THR 25 3HG2 THR 25 -9.180 -7.096 7.879 211 HG22 THR 25 1HG2 THR 25 -8.696 -8.626 8.650 212 HG23 THR 25 2HG2 THR 25 -7.463 -7.420 8.211 213 H SER 26 H SER 26 -8.751 -6.794 3.211 214 HA SER 26 HA SER 26 -8.572 -9.227 1.718 215 HB2 SER 26 2HB SER 26 -9.939 -7.438 1.088 216 HB3 SER 26 3HB SER 26 -8.511 -6.434 0.743 217 HG SER 26 HG SER 26 -9.168 -8.900 -0.499 218 H ASP 27 H ASP 27 -6.684 -10.354 1.622 219 HA ASP 27 HA ASP 27 -4.072 -9.107 1.537 220 HB2 ASP 27 2HB ASP 27 -4.957 -11.991 0.925 221 HB3 ASP 27 3HB ASP 27 -3.329 -11.274 0.852 222 H TYR 28 H TYR 28 -6.399 -10.036 -0.893 223 HA TYR 28 HA TYR 28 -4.688 -10.219 -3.153 224 HB2 TYR 28 2HB TYR 28 -7.020 -10.853 -3.224 225 HB3 TYR 28 3HB TYR 28 -7.512 -9.171 -2.905 226 HD1 TYR 28 HD1 TYR 28 -5.854 -11.376 -5.409 227 HD2 TYR 28 HD2 TYR 28 -7.731 -7.616 -4.684 228 HE1 TYR 28 HE1 TYR 28 -5.876 -10.925 -7.845 229 HE2 TYR 28 HE2 TYR 28 -7.761 -7.151 -7.111 230 HH TYR 28 HH TYR 28 -7.227 -7.911 -9.190 231 H TYR 29 H TYR 29 -6.469 -7.346 -1.975 232 HA TYR 29 HA TYR 29 -5.200 -5.624 -3.947 233 HB2 TYR 29 2HB TYR 29 -6.790 -5.045 -1.441 234 HB3 TYR 29 3HB TYR 29 -6.225 -3.808 -2.591 235 HD1 TYR 29 HD2 TYR 29 -6.935 -4.235 -5.103 236 HD2 TYR 29 HD1 TYR 29 -8.932 -5.914 -1.731 237 HE1 TYR 29 HE2 TYR 29 -8.955 -4.580 -6.485 238 HE2 TYR 29 HE1 TYR 29 -10.966 -6.266 -3.101 239 HH TYR 29 HH TYR 29 -11.101 -5.340 -6.544 240 H PHE 30 H PHE 30 -4.535 -6.485 -0.600 241 HA PHE 30 HA PHE 30 -2.431 -4.572 -0.165 242 HB2 PHE 30 2HB PHE 30 -2.829 -7.382 0.953 243 HB3 PHE 30 3HB PHE 30 -1.649 -6.196 1.557 244 HD1 PHE 30 HD2 PHE 30 -4.605 -4.578 0.492 245 HD2 PHE 30 HD1 PHE 30 -2.916 -6.830 3.704 246 HE1 PHE 30 HE2 PHE 30 -6.311 -3.661 2.028 247 HE2 PHE 30 HE1 PHE 30 -4.622 -5.917 5.243 248 HZ PHE 30 HZ PHE 30 -6.319 -4.333 4.405 249 H ASP 31 H ASP 31 -2.585 -7.554 -1.982 250 HA ASP 31 HA ASP 31 0.281 -7.839 -2.330 251 HB2 ASP 31 2HB ASP 31 -1.611 -9.634 -2.818 252 HB3 ASP 31 3HB ASP 31 -1.821 -8.586 -4.242 253 H LEU 32 H LEU 32 -2.210 -5.945 -3.921 254 HA LEU 32 HA LEU 32 -0.770 -5.511 -6.374 255 HB2 LEU 32 2HB LEU 32 -3.025 -4.442 -4.928 256 HB3 LEU 32 3HB LEU 32 -2.433 -3.313 -6.169 257 HG LEU 32 HG LEU 32 -2.704 -5.137 -7.866 258 HD11 LEU 32 1HD1 LEU 32 -4.150 -7.091 -7.243 259 HD12 LEU 32 2HD1 LEU 32 -2.650 -7.065 -6.287 260 HD13 LEU 32 3HD1 LEU 32 -4.179 -6.512 -5.561 261 HD21 LEU 32 3HD2 LEU 32 -4.378 -3.399 -7.635 262 HD22 LEU 32 1HD2 LEU 32 -5.162 -4.947 -8.027 263 HD23 LEU 32 2HD2 LEU 32 -5.206 -4.324 -6.359 264 H ILE 33 H ILE 33 -0.830 -3.788 -3.291 265 HA ILE 33 HA ILE 33 0.839 -1.584 -4.242 266 HB ILE 33 HB ILE 33 1.105 -1.058 -1.842 267 HG12 ILE 33 2HG1 ILE 33 -0.644 -3.263 -0.975 268 HG13 ILE 33 3HG1 ILE 33 1.020 -3.695 -1.430 269 HG21 ILE 33 1HG2 ILE 33 -1.276 -0.740 -1.259 270 HG22 ILE 33 2HG2 ILE 33 -0.978 -0.346 -2.969 271 HG23 ILE 33 3HG2 ILE 33 -1.742 -1.892 -2.533 272 HD11 ILE 33 3HD1 ILE 33 0.225 -1.618 0.640 273 HD12 ILE 33 1HD1 ILE 33 0.847 -3.247 0.986 274 HD13 ILE 33 2HD1 ILE 33 1.890 -2.048 0.184 275 H ASN 34 H ASN 34 1.468 -4.814 -3.183 276 HA ASN 34 HA ASN 34 4.345 -4.360 -2.868 277 HB2 ASN 34 2HB ASN 34 2.889 -7.087 -3.226 278 HB3 ASN 34 3HB ASN 34 4.576 -6.541 -3.072 279 HD21 ASN 34 1HD2 ASN 34 2.712 -8.201 -1.376 280 HD22 ASN 34 2HD2 ASN 34 2.837 -7.503 0.204 281 H LYS 35 H LYS 35 2.196 -5.427 -5.490 282 HA LYS 35 HA LYS 35 4.294 -5.596 -7.473 283 HB2 LYS 35 2HB LYS 35 1.334 -5.035 -7.636 284 HB3 LYS 35 3HB LYS 35 2.394 -5.154 -9.061 285 HG2 LYS 35 2HG LYS 35 2.953 -7.471 -8.457 286 HG3 LYS 35 3HG LYS 35 1.903 -7.355 -7.026 287 HD2 LYS 35 2HD LYS 35 -0.044 -6.972 -8.470 288 HD3 LYS 35 3HD LYS 35 0.998 -7.055 -9.910 289 HE2 LYS 35 2HE LYS 35 1.597 -9.372 -9.341 290 HE3 LYS 35 3HE LYS 35 0.549 -9.289 -7.906 291 HZ1 LYS 35 3HZ LYS 35 -0.352 -9.028 -10.704 292 HZ2 LYS 35 1HZ LYS 35 -0.553 -10.361 -9.751 293 HZ3 LYS 35 2HZ LYS 35 -1.323 -8.952 -9.373 294 H ALA 36 H ALA 36 2.837 -2.957 -5.830 295 HA ALA 36 HA ALA 36 3.211 -1.004 -7.942 296 HB1 ALA 36 3HB ALA 36 2.832 -0.639 -4.949 297 HB2 ALA 36 1HB ALA 36 2.732 0.646 -6.174 298 HB3 ALA 36 2HB ALA 36 1.542 -0.677 -6.174 299 H LYS 37 H LYS 37 5.420 -1.703 -8.482 300 HA LYS 37 HA LYS 37 7.625 -1.306 -6.701 301 HB2 LYS 37 2HB LYS 37 7.574 -2.530 -8.919 302 HB3 LYS 37 3HB LYS 37 7.656 -0.929 -9.692 303 HG2 LYS 37 2HG LYS 37 9.812 -0.489 -8.700 304 HG3 LYS 37 3HG LYS 37 9.715 -1.973 -7.724 305 HD2 LYS 37 2HD LYS 37 9.661 -3.302 -9.837 306 HD3 LYS 37 3HD LYS 37 9.899 -1.793 -10.750 307 HE2 LYS 37 2HE LYS 37 12.032 -1.418 -9.629 308 HE3 LYS 37 3HE LYS 37 11.789 -2.875 -8.638 309 HZ1 LYS 37 3HZ LYS 37 12.077 -2.827 -11.575 310 HZ2 LYS 37 1HZ LYS 37 13.240 -3.300 -10.504 311 HZ3 LYS 37 2HZ LYS 37 11.852 -4.179 -10.656 312 H THR 38 H THR 38 5.502 0.963 -8.002 313 HA THR 38 HA THR 38 7.465 3.129 -7.333 314 HB THR 38 HB THR 38 6.032 4.671 -8.526 315 HG1 THR 38 HG1 THR 38 4.205 3.271 -9.707 316 HG21 THR 38 3HG2 THR 38 6.360 2.110 -10.141 317 HG22 THR 38 1HG2 THR 38 6.115 3.740 -10.812 318 HG23 THR 38 2HG2 THR 38 7.604 3.361 -9.913 319 H VAL 39 H VAL 39 6.896 4.793 -5.956 320 HA VAL 39 HA VAL 39 5.193 4.063 -3.707 321 HB VAL 39 HB VAL 39 6.436 6.718 -4.537 322 HG11 VAL 39 1HG1 VAL 39 5.920 7.441 -2.230 323 HG12 VAL 39 2HG1 VAL 39 4.433 7.053 -3.127 324 HG13 VAL 39 3HG1 VAL 39 5.080 5.901 -1.934 325 HG21 VAL 39 3HG2 VAL 39 8.080 5.021 -4.008 326 HG22 VAL 39 1HG2 VAL 39 8.028 6.267 -2.740 327 HG23 VAL 39 2HG2 VAL 39 7.264 4.683 -2.463 328 H GLU 40 H GLU 40 4.726 6.077 -6.570 329 HA GLU 40 HA GLU 40 2.207 7.183 -5.722 330 HB2 GLU 40 2HB GLU 40 3.406 6.680 -8.446 331 HB3 GLU 40 3HB GLU 40 1.859 7.521 -8.180 332 HG2 GLU 40 2HG GLU 40 3.085 9.327 -6.905 333 HG3 GLU 40 3HG GLU 40 4.538 8.327 -7.127 334 H GLY 41 H GLY 41 3.077 4.182 -7.362 335 HA2 GLY 41 2HA GLY 41 0.470 3.345 -8.097 336 HA3 GLY 41 3HA GLY 41 1.833 2.267 -7.718 337 H VAL 42 H VAL 42 2.297 2.879 -5.060 338 HA VAL 42 HA VAL 42 0.395 1.131 -3.791 339 HB VAL 42 HB VAL 42 2.411 3.082 -2.602 340 HG11 VAL 42 1HG1 VAL 42 2.129 1.780 -0.519 341 HG12 VAL 42 2HG1 VAL 42 0.602 2.558 -1.000 342 HG13 VAL 42 3HG1 VAL 42 0.847 0.819 -1.293 343 HG21 VAL 42 3HG2 VAL 42 3.438 1.353 -3.954 344 HG22 VAL 42 1HG2 VAL 42 3.768 1.085 -2.226 345 HG23 VAL 42 2HG2 VAL 42 2.545 0.098 -3.062 346 H ASN 43 H ASN 43 0.666 4.667 -3.780 347 HA ASN 43 HA ASN 43 -1.610 4.992 -1.991 348 HB2 ASN 43 2HB ASN 43 0.280 6.879 -2.476 349 HB3 ASN 43 3HB ASN 43 -0.649 6.778 -3.990 350 HD21 ASN 43 1HD2 ASN 43 -1.761 8.566 -4.158 351 HD22 ASN 43 2HD2 ASN 43 -2.769 9.260 -2.932 352 H ALA 44 H ALA 44 -1.167 5.064 -5.512 353 HA ALA 44 HA ALA 44 -3.842 5.919 -6.090 354 HB1 ALA 44 3HB ALA 44 -1.895 4.324 -7.791 355 HB2 ALA 44 1HB ALA 44 -3.365 5.134 -8.377 356 HB3 ALA 44 2HB ALA 44 -2.020 6.098 -7.723 357 H LEU 45 H LEU 45 -2.356 2.689 -5.888 358 HA LEU 45 HA LEU 45 -4.728 1.243 -6.621 359 HB2 LEU 45 2HB LEU 45 -2.438 0.574 -4.889 360 HB3 LEU 45 3HB LEU 45 -3.521 -0.705 -5.486 361 HG LEU 45 HG LEU 45 -2.066 1.087 -7.425 362 HD11 LEU 45 1HD1 LEU 45 -0.198 -0.587 -7.500 363 HD12 LEU 45 2HD1 LEU 45 -0.316 0.180 -5.898 364 HD13 LEU 45 3HD1 LEU 45 -0.951 -1.463 -6.148 365 HD21 LEU 45 3HD2 LEU 45 -3.828 -0.347 -8.271 366 HD22 LEU 45 1HD2 LEU 45 -2.251 -0.900 -8.883 367 HD23 LEU 45 2HD2 LEU 45 -3.049 -1.778 -7.555 368 H LYS 46 H LYS 46 -3.353 1.990 -3.410 369 HA LYS 46 HA LYS 46 -5.462 0.738 -1.932 370 HB2 LYS 46 2HB LYS 46 -3.139 1.572 -1.182 371 HB3 LYS 46 3HB LYS 46 -3.939 3.151 -0.994 372 HG2 LYS 46 2HG LYS 46 -5.662 1.807 0.445 373 HG3 LYS 46 3HG LYS 46 -4.361 0.599 0.550 374 HD2 LYS 46 2HD LYS 46 -4.113 1.989 2.463 375 HD3 LYS 46 3HD LYS 46 -2.841 2.482 1.322 376 HE2 LYS 46 2HE LYS 46 -4.254 4.350 0.561 377 HE3 LYS 46 3HE LYS 46 -5.514 3.862 1.717 378 HZ1 LYS 46 3HZ LYS 46 -2.789 4.744 2.422 379 HZ2 LYS 46 1HZ LYS 46 -4.160 5.647 2.579 380 HZ3 LYS 46 2HZ LYS 46 -3.957 4.291 3.495 381 H ASP 47 H ASP 47 -5.195 3.906 -3.413 382 HA ASP 47 HA ASP 47 -7.069 5.365 -1.927 383 HB2 ASP 47 2HB ASP 47 -5.628 6.109 -4.043 384 HB3 ASP 47 3HB ASP 47 -7.022 5.358 -4.862 385 H GLU 48 H GLU 48 -7.681 2.976 -4.467 386 HA GLU 48 HA GLU 48 -10.529 3.389 -4.585 387 HB2 GLU 48 2HB GLU 48 -8.785 0.999 -5.186 388 HB3 GLU 48 3HB GLU 48 -10.540 1.053 -5.484 389 HG2 GLU 48 2HG GLU 48 -10.183 2.937 -7.129 390 HG3 GLU 48 3HG GLU 48 -8.473 2.875 -6.644 391 H ILE 49 H ILE 49 -8.477 1.375 -2.528 392 HA ILE 49 HA ILE 49 -10.782 0.052 -1.267 393 HB ILE 49 HB ILE 49 -7.857 0.190 -0.399 394 HG12 ILE 49 2HG1 ILE 49 -8.084 -0.754 -2.606 395 HG13 ILE 49 3HG1 ILE 49 -7.570 -1.957 -1.399 396 HG21 ILE 49 1HG2 ILE 49 -8.425 -1.817 0.928 397 HG22 ILE 49 2HG2 ILE 49 -9.416 -0.423 1.418 398 HG23 ILE 49 3HG2 ILE 49 -10.116 -1.696 0.389 399 HD11 ILE 49 3HD1 ILE 49 -10.379 -1.644 -2.516 400 HD12 ILE 49 1HD1 ILE 49 -9.216 -2.912 -2.965 401 HD13 ILE 49 2HD1 ILE 49 -9.866 -2.847 -1.310 402 H LEU 50 H LEU 50 -8.564 2.672 -0.389 403 HA LEU 50 HA LEU 50 -9.629 3.005 2.261 404 HB2 LEU 50 2HB LEU 50 -7.541 3.749 1.556 405 HB3 LEU 50 3HB LEU 50 -8.159 4.989 0.440 406 HG LEU 50 HG LEU 50 -9.297 6.053 2.449 407 HD11 LEU 50 1HD1 LEU 50 -8.317 5.489 4.689 408 HD12 LEU 50 2HD1 LEU 50 -9.138 4.084 3.970 409 HD13 LEU 50 3HD1 LEU 50 -7.362 4.196 3.928 410 HD21 LEU 50 3HD2 LEU 50 -7.304 7.000 1.445 411 HD22 LEU 50 1HD2 LEU 50 -7.242 7.191 3.213 412 HD23 LEU 50 2HD2 LEU 50 -6.269 5.928 2.418 413 H LYS 51 H LYS 51 -10.578 4.281 -0.878 414 HA LYS 51 HA LYS 51 -12.717 5.889 0.454 415 HB2 LYS 51 2HB LYS 51 -11.667 5.851 -2.379 416 HB3 LYS 51 3HB LYS 51 -13.039 6.834 -1.814 417 HG2 LYS 51 2HG LYS 51 -11.554 8.037 -0.272 418 HG3 LYS 51 3HG LYS 51 -10.180 7.044 -0.811 419 HD2 LYS 51 2HD LYS 51 -10.419 7.921 -3.088 420 HD3 LYS 51 3HD LYS 51 -11.823 8.889 -2.577 421 HE2 LYS 51 2HE LYS 51 -10.422 10.157 -1.036 422 HE3 LYS 51 3HE LYS 51 -9.015 9.156 -1.460 423 HZ1 LYS 51 3HZ LYS 51 -10.479 10.926 -3.310 424 HZ2 LYS 51 1HZ LYS 51 -9.006 11.247 -2.640 425 HZ3 LYS 51 2HZ LYS 51 -9.175 9.997 -3.704 426 H ALA 52 H ALA 52 -12.560 2.863 -0.033 427 HA ALA 52 HA ALA 52 -14.729 2.346 -1.893 428 HB1 ALA 52 3HB ALA 52 -13.524 0.603 0.285 429 HB2 ALA 52 1HB ALA 52 -14.638 0.054 -0.988 430 HB3 ALA 52 2HB ALA 52 -13.018 0.650 -1.421 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 17.934 -4.713 -2.762 2 H2 GLY 1 2H GLY 1 16.720 -4.122 -3.415 3 H3 GLY 1 3H GLY 1 18.046 -3.432 -3.534 4 HA2 GLY 1 2HA GLY 1 16.107 -2.931 -1.521 5 HA3 GLY 1 3HA GLY 1 17.547 -3.632 -0.746 6 H THR 2 H THR 2 16.556 -1.073 -3.044 7 HA THR 2 HA THR 2 18.951 0.528 -2.377 8 HB THR 2 HB THR 2 18.154 2.098 -4.031 9 HG1 THR 2 HG1 THR 2 16.047 1.535 -5.073 10 HG21 THR 2 3HG2 THR 2 17.611 -0.744 -4.976 11 HG22 THR 2 1HG2 THR 2 17.951 0.653 -6.023 12 HG23 THR 2 2HG2 THR 2 19.205 0.044 -4.915 13 H ILE 3 H ILE 3 18.624 2.888 -1.944 14 HA ILE 3 HA ILE 3 17.220 3.225 0.554 15 HB ILE 3 HB ILE 3 18.357 5.241 -1.434 16 HG12 ILE 3 2HG1 ILE 3 19.376 4.404 1.264 17 HG13 ILE 3 3HG1 ILE 3 19.907 3.688 -0.276 18 HG21 ILE 3 1HG2 ILE 3 18.110 6.904 0.378 19 HG22 ILE 3 2HG2 ILE 3 16.528 6.258 -0.118 20 HG23 ILE 3 3HG2 ILE 3 17.290 5.686 1.384 21 HD11 ILE 3 3HD1 ILE 3 20.183 6.609 0.517 22 HD12 ILE 3 1HD1 ILE 3 21.493 5.406 0.500 23 HD13 ILE 3 2HD1 ILE 3 20.713 5.893 -1.022 24 H ASP 4 H ASP 4 16.360 4.088 -2.770 25 HA ASP 4 HA ASP 4 13.881 5.377 -2.056 26 HB2 ASP 4 2HB ASP 4 14.764 4.031 -4.681 27 HB3 ASP 4 3HB ASP 4 13.228 4.846 -4.294 28 H GLU 5 H GLU 5 14.729 2.016 -2.796 29 HA GLU 5 HA GLU 5 11.995 1.053 -2.654 30 HB2 GLU 5 2HB GLU 5 14.682 -0.294 -2.365 31 HB3 GLU 5 3HB GLU 5 13.126 -1.159 -2.312 32 HG2 GLU 5 2HG GLU 5 12.663 -0.490 -4.682 33 HG3 GLU 5 3HG GLU 5 14.114 0.531 -4.568 34 H TRP 6 H TRP 6 14.525 1.631 -0.288 35 HA TRP 6 HA TRP 6 13.204 0.288 1.906 36 HB2 TRP 6 2HB TRP 6 15.264 2.529 1.796 37 HB3 TRP 6 3HB TRP 6 14.683 1.795 3.309 38 HD1 TRP 6 HD1 TRP 6 14.636 -1.064 1.674 39 HE1 TRP 6 HE1 TRP 6 16.972 -2.420 1.622 40 HE3 TRP 6 HE3 TRP 6 17.751 2.804 2.753 41 HZ2 TRP 6 HZ2 TRP 6 19.632 -1.772 2.001 42 HZ3 TRP 6 HZ3 TRP 6 20.137 2.436 2.905 43 HH2 TRP 6 HH2 TRP 6 21.121 0.214 2.543 44 H LEU 7 H LEU 7 13.163 3.652 0.740 45 HA LEU 7 HA LEU 7 11.299 4.599 2.714 46 HB2 LEU 7 2HB LEU 7 11.789 5.383 -0.086 47 HB3 LEU 7 3HB LEU 7 10.907 6.461 1.021 48 HG LEU 7 HG LEU 7 13.774 5.576 1.484 49 HD11 LEU 7 1HD1 LEU 7 14.446 7.834 0.622 50 HD12 LEU 7 2HD1 LEU 7 13.641 6.874 -0.641 51 HD13 LEU 7 3HD1 LEU 7 12.749 8.163 0.202 52 HD21 LEU 7 3HD2 LEU 7 12.579 6.318 3.460 53 HD22 LEU 7 1HD2 LEU 7 13.821 7.513 3.017 54 HD23 LEU 7 2HD2 LEU 7 12.110 7.828 2.643 55 H LEU 8 H LEU 8 10.825 3.298 -0.569 56 HA LEU 8 HA LEU 8 7.960 3.528 -0.527 57 HB2 LEU 8 2HB LEU 8 8.908 3.307 -2.499 58 HB3 LEU 8 3HB LEU 8 9.951 1.906 -2.161 59 HG LEU 8 HG LEU 8 7.934 0.470 -2.011 60 HD11 LEU 8 1HD1 LEU 8 5.749 1.382 -2.842 61 HD12 LEU 8 2HD1 LEU 8 6.301 2.247 -1.389 62 HD13 LEU 8 3HD1 LEU 8 6.497 2.990 -2.994 63 HD21 LEU 8 3HD2 LEU 8 9.162 0.599 -4.097 64 HD22 LEU 8 1HD2 LEU 8 7.422 0.424 -4.428 65 HD23 LEU 8 2HD2 LEU 8 8.208 2.012 -4.606 66 H LYS 9 H LYS 9 10.160 0.927 0.468 67 HA LYS 9 HA LYS 9 8.213 -1.003 1.195 68 HB2 LYS 9 2HB LYS 9 10.625 -1.403 1.183 69 HB3 LYS 9 3HB LYS 9 10.814 -0.298 2.565 70 HG2 LYS 9 2HG LYS 9 9.352 -1.828 3.907 71 HG3 LYS 9 3HG LYS 9 9.355 -2.962 2.536 72 HD2 LYS 9 2HD LYS 9 11.026 -3.571 4.258 73 HD3 LYS 9 3HD LYS 9 11.773 -3.198 2.687 74 HE2 LYS 9 2HE LYS 9 12.218 -0.884 3.512 75 HE3 LYS 9 3HE LYS 9 11.603 -1.377 5.106 76 HZ1 LYS 9 3HZ LYS 9 13.927 -2.558 3.725 77 HZ2 LYS 9 1HZ LYS 9 13.998 -1.511 4.997 78 HZ3 LYS 9 2HZ LYS 9 13.356 -3.017 5.204 79 H GLU 10 H GLU 10 9.364 1.845 2.964 80 HA GLU 10 HA GLU 10 7.651 1.314 5.271 81 HB2 GLU 10 2HB GLU 10 9.114 3.769 4.297 82 HB3 GLU 10 3HB GLU 10 8.167 3.702 5.803 83 HG2 GLU 10 2HG GLU 10 9.746 1.925 6.682 84 HG3 GLU 10 3HG GLU 10 10.537 2.023 5.091 85 H ALA 11 H ALA 11 7.365 3.144 2.269 86 HA ALA 11 HA ALA 11 4.923 4.478 2.925 87 HB1 ALA 11 3HB ALA 11 5.965 3.553 0.226 88 HB2 ALA 11 1HB ALA 11 4.649 4.721 0.488 89 HB3 ALA 11 2HB ALA 11 6.306 5.117 1.002 90 H LYS 12 H LYS 12 5.593 1.274 1.568 91 HA LYS 12 HA LYS 12 2.852 0.624 0.967 92 HB2 LYS 12 2HB LYS 12 5.250 -1.102 1.590 93 HB3 LYS 12 3HB LYS 12 3.675 -1.724 1.043 94 HG2 LYS 12 2HG LYS 12 3.910 -0.768 -1.101 95 HG3 LYS 12 3HG LYS 12 5.220 0.313 -0.567 96 HD2 LYS 12 2HD LYS 12 6.732 -1.569 -0.308 97 HD3 LYS 12 3HD LYS 12 5.423 -2.714 -0.686 98 HE2 LYS 12 2HE LYS 12 5.210 -1.585 -2.928 99 HE3 LYS 12 3HE LYS 12 6.683 -0.669 -2.534 100 HZ1 LYS 12 3HZ LYS 12 6.487 -3.607 -2.706 101 HZ2 LYS 12 1HZ LYS 12 7.175 -2.624 -3.837 102 HZ3 LYS 12 2HZ LYS 12 7.853 -2.758 -2.339 103 H GLU 13 H GLU 13 4.885 0.004 3.823 104 HA GLU 13 HA GLU 13 2.817 -1.437 5.247 105 HB2 GLU 13 2HB GLU 13 5.314 0.002 6.144 106 HB3 GLU 13 3HB GLU 13 4.247 -0.913 7.236 107 HG2 GLU 13 2HG GLU 13 4.763 -3.020 5.941 108 HG3 GLU 13 3HG GLU 13 5.691 -1.973 4.844 109 H LYS 14 H LYS 14 3.838 1.962 5.197 110 HA LYS 14 HA LYS 14 2.192 2.733 7.444 111 HB2 LYS 14 2HB LYS 14 3.513 4.239 5.195 112 HB3 LYS 14 3HB LYS 14 2.512 5.044 6.428 113 HG2 LYS 14 2HG LYS 14 4.022 4.255 8.191 114 HG3 LYS 14 3HG LYS 14 5.011 3.409 6.979 115 HD2 LYS 14 2HD LYS 14 6.019 5.562 7.623 116 HD3 LYS 14 3HD LYS 14 5.559 5.535 5.904 117 HE2 LYS 14 2HE LYS 14 3.425 6.688 6.529 118 HE3 LYS 14 3HE LYS 14 4.049 6.839 8.187 119 HZ1 LYS 14 3HZ LYS 14 5.302 7.985 5.774 120 HZ2 LYS 14 1HZ LYS 14 4.445 8.830 6.903 121 HZ3 LYS 14 2HZ LYS 14 5.880 8.126 7.312 122 H ALA 15 H ALA 15 1.638 2.589 3.960 123 HA ALA 15 HA ALA 15 -0.696 4.280 4.025 124 HB1 ALA 15 3HB ALA 15 0.195 2.238 1.960 125 HB2 ALA 15 1HB ALA 15 -1.062 3.473 1.725 126 HB3 ALA 15 2HB ALA 15 0.629 3.964 1.984 127 H ILE 16 H ILE 16 -0.228 0.756 4.069 128 HA ILE 16 HA ILE 16 -3.109 0.230 3.853 129 HB ILE 16 HB ILE 16 -0.839 -1.646 4.659 130 HG12 ILE 16 2HG1 ILE 16 -0.188 -0.922 2.591 131 HG13 ILE 16 3HG1 ILE 16 -1.083 -2.426 2.269 132 HG21 ILE 16 1HG2 ILE 16 -2.403 -3.411 3.920 133 HG22 ILE 16 2HG2 ILE 16 -3.104 -2.449 5.242 134 HG23 ILE 16 3HG2 ILE 16 -3.633 -2.174 3.566 135 HD11 ILE 16 3HD1 ILE 16 -2.163 0.394 1.929 136 HD12 ILE 16 1HD1 ILE 16 -1.643 -0.686 0.616 137 HD13 ILE 16 2HD1 ILE 16 -3.059 -1.110 1.608 138 H GLU 17 H GLU 17 -0.871 0.766 6.443 139 HA GLU 17 HA GLU 17 -2.211 -0.395 8.618 140 HB2 GLU 17 2HB GLU 17 -0.091 0.877 8.710 141 HB3 GLU 17 3HB GLU 17 -1.019 2.380 8.492 142 HG2 GLU 17 2HG GLU 17 -2.186 1.942 10.700 143 HG3 GLU 17 3HG GLU 17 -1.264 0.422 10.738 144 H GLU 18 H GLU 18 -3.076 2.527 6.817 145 HA GLU 18 HA GLU 18 -5.323 3.253 8.465 146 HB2 GLU 18 2HB GLU 18 -4.775 3.646 5.519 147 HB3 GLU 18 3HB GLU 18 -6.134 4.379 6.406 148 HG2 GLU 18 2HG GLU 18 -4.543 5.720 7.781 149 HG3 GLU 18 3HG GLU 18 -3.243 4.746 7.058 150 H LEU 19 H LEU 19 -4.999 1.063 5.689 151 HA LEU 19 HA LEU 19 -7.805 0.448 5.502 152 HB2 LEU 19 2HB LEU 19 -5.267 -0.540 4.590 153 HB3 LEU 19 3HB LEU 19 -6.503 -1.817 4.544 154 HG LEU 19 HG LEU 19 -7.839 -0.602 2.989 155 HD11 LEU 19 1HD1 LEU 19 -7.239 1.715 2.238 156 HD12 LEU 19 2HD1 LEU 19 -7.537 1.660 3.992 157 HD13 LEU 19 3HD1 LEU 19 -5.868 1.711 3.372 158 HD21 LEU 19 3HD2 LEU 19 -5.964 -1.770 1.991 159 HD22 LEU 19 1HD2 LEU 19 -6.315 -0.288 1.071 160 HD23 LEU 19 2HD2 LEU 19 -4.929 -0.337 2.187 161 H LYS 20 H LYS 20 -5.150 -0.989 7.357 162 HA LYS 20 HA LYS 20 -6.655 -3.138 8.502 163 HB2 LYS 20 2HB LYS 20 -4.394 -1.501 9.660 164 HB3 LYS 20 3HB LYS 20 -5.005 -3.037 10.319 165 HG2 LYS 20 2HG LYS 20 -4.372 -4.149 8.172 166 HG3 LYS 20 3HG LYS 20 -3.643 -2.616 7.638 167 HD2 LYS 20 2HD LYS 20 -2.152 -2.675 9.633 168 HD3 LYS 20 3HD LYS 20 -2.834 -4.264 10.057 169 HE2 LYS 20 2HE LYS 20 -2.033 -5.201 7.953 170 HE3 LYS 20 3HE LYS 20 -1.416 -3.610 7.456 171 HZ1 LYS 20 3HZ LYS 20 -0.467 -5.169 9.774 172 HZ2 LYS 20 1HZ LYS 20 0.328 -5.005 8.339 173 HZ3 LYS 20 2HZ LYS 20 0.106 -3.692 9.314 174 H LYS 21 H LYS 21 -6.273 0.251 9.496 175 HA LYS 21 HA LYS 21 -8.010 0.001 11.806 176 HB2 LYS 21 2HB LYS 21 -7.155 2.346 10.108 177 HB3 LYS 21 3HB LYS 21 -8.184 2.490 11.553 178 HG2 LYS 21 2HG LYS 21 -6.394 1.594 12.952 179 HG3 LYS 21 3HG LYS 21 -5.367 1.355 11.518 180 HD2 LYS 21 2HD LYS 21 -5.429 3.799 11.097 181 HD3 LYS 21 3HD LYS 21 -6.395 4.011 12.577 182 HE2 LYS 21 2HE LYS 21 -4.574 3.097 13.924 183 HE3 LYS 21 3HE LYS 21 -3.613 2.807 12.458 184 HZ1 LYS 21 3HZ LYS 21 -4.483 5.448 13.442 185 HZ2 LYS 21 1HZ LYS 21 -2.957 4.835 13.565 186 HZ3 LYS 21 2HZ LYS 21 -3.589 5.180 12.082 187 H ALA 22 H ALA 22 -8.553 0.322 8.390 188 HA ALA 22 HA ALA 22 -11.280 1.356 8.763 189 HB1 ALA 22 3HB ALA 22 -9.801 0.466 6.264 190 HB2 ALA 22 1HB ALA 22 -11.387 1.271 6.302 191 HB3 ALA 22 2HB ALA 22 -9.937 2.136 6.863 192 H GLY 23 H GLY 23 -9.819 -1.651 8.929 193 HA2 GLY 23 2HA GLY 23 -10.992 -3.608 9.552 194 HA3 GLY 23 3HA GLY 23 -12.490 -2.915 8.888 195 H ILE 24 H ILE 24 -9.662 -2.665 6.929 196 HA ILE 24 HA ILE 24 -10.801 -4.605 4.986 197 HB ILE 24 HB ILE 24 -8.353 -2.788 4.793 198 HG12 ILE 24 2HG1 ILE 24 -10.369 -1.508 5.050 199 HG13 ILE 24 3HG1 ILE 24 -9.681 -1.350 3.417 200 HG21 ILE 24 1HG2 ILE 24 -8.511 -3.261 2.372 201 HG22 ILE 24 2HG2 ILE 24 -8.259 -4.757 3.301 202 HG23 ILE 24 3HG2 ILE 24 -9.877 -4.361 2.675 203 HD11 ILE 24 3HD1 ILE 24 -12.057 -3.082 4.187 204 HD12 ILE 24 1HD1 ILE 24 -12.138 -1.523 3.335 205 HD13 ILE 24 2HD1 ILE 24 -11.368 -2.925 2.554 206 H THR 25 H THR 25 -10.209 -6.560 4.654 207 HA THR 25 HA THR 25 -7.639 -7.467 5.908 208 HB THR 25 HB THR 25 -8.768 -9.599 6.484 209 HG1 THR 25 HG1 THR 25 -11.091 -9.622 6.354 210 HG21 THR 25 3HG2 THR 25 -10.169 -7.142 7.609 211 HG22 THR 25 1HG2 THR 25 -10.123 -8.752 8.367 212 HG23 THR 25 2HG2 THR 25 -8.624 -7.810 8.183 213 H SER 26 H SER 26 -8.680 -6.756 3.091 214 HA SER 26 HA SER 26 -8.600 -9.287 1.579 215 HB2 SER 26 2HB SER 26 -9.943 -7.594 0.800 216 HB3 SER 26 3HB SER 26 -8.579 -6.454 0.740 217 HG SER 26 HG SER 26 -8.964 -8.796 -0.802 218 H ASP 27 H ASP 27 -6.642 -10.341 1.865 219 HA ASP 27 HA ASP 27 -4.066 -9.045 1.701 220 HB2 ASP 27 2HB ASP 27 -4.877 -11.980 1.248 221 HB3 ASP 27 3HB ASP 27 -3.265 -11.230 1.152 222 H TYR 28 H TYR 28 -6.352 -10.151 -0.689 223 HA TYR 28 HA TYR 28 -4.646 -10.336 -2.952 224 HB2 TYR 28 2HB TYR 28 -6.966 -11.016 -3.004 225 HB3 TYR 28 3HB TYR 28 -7.489 -9.340 -2.711 226 HD1 TYR 28 HD1 TYR 28 -5.799 -11.555 -5.184 227 HD2 TYR 28 HD2 TYR 28 -7.742 -7.819 -4.516 228 HE1 TYR 28 HE1 TYR 28 -5.836 -11.147 -7.627 229 HE2 TYR 28 HE2 TYR 28 -7.789 -7.396 -6.951 230 HH TYR 28 HH TYR 28 -7.247 -8.182 -9.019 231 H TYR 29 H TYR 29 -6.502 -7.481 -1.849 232 HA TYR 29 HA TYR 29 -5.239 -5.764 -3.826 233 HB2 TYR 29 2HB TYR 29 -6.902 -5.224 -1.362 234 HB3 TYR 29 3HB TYR 29 -6.288 -3.947 -2.441 235 HD1 TYR 29 HD2 TYR 29 -6.828 -4.441 -5.038 236 HD2 TYR 29 HD1 TYR 29 -9.081 -5.931 -1.738 237 HE1 TYR 29 HE2 TYR 29 -8.783 -4.737 -6.520 238 HE2 TYR 29 HE1 TYR 29 -11.050 -6.234 -3.209 239 HH TYR 29 HH TYR 29 -11.887 -6.028 -5.311 240 H PHE 30 H PHE 30 -4.589 -6.570 -0.463 241 HA PHE 30 HA PHE 30 -2.536 -4.612 -0.016 242 HB2 PHE 30 2HB PHE 30 -2.924 -7.421 1.099 243 HB3 PHE 30 3HB PHE 30 -1.701 -6.269 1.683 244 HD1 PHE 30 HD2 PHE 30 -4.611 -4.544 0.687 245 HD2 PHE 30 HD1 PHE 30 -2.966 -6.903 3.845 246 HE1 PHE 30 HE2 PHE 30 -6.261 -3.587 2.259 247 HE2 PHE 30 HE1 PHE 30 -4.617 -5.951 5.419 248 HZ PHE 30 HZ PHE 30 -6.265 -4.292 4.626 249 H ASP 31 H ASP 31 -2.580 -7.623 -1.803 250 HA ASP 31 HA ASP 31 0.299 -7.816 -2.110 251 HB2 ASP 31 2HB ASP 31 -1.501 -9.704 -2.551 252 HB3 ASP 31 3HB ASP 31 -1.770 -8.705 -4.001 253 H LEU 32 H LEU 32 -2.232 -6.034 -3.759 254 HA LEU 32 HA LEU 32 -0.862 -5.760 -6.268 255 HB2 LEU 32 2HB LEU 32 -3.114 -4.687 -4.859 256 HB3 LEU 32 3HB LEU 32 -2.549 -3.538 -6.095 257 HG LEU 32 HG LEU 32 -2.726 -5.435 -7.772 258 HD11 LEU 32 1HD1 LEU 32 -4.253 -7.324 -7.142 259 HD12 LEU 32 2HD1 LEU 32 -2.796 -7.302 -6.121 260 HD13 LEU 32 3HD1 LEU 32 -4.339 -6.681 -5.485 261 HD21 LEU 32 3HD2 LEU 32 -4.359 -3.646 -7.681 262 HD22 LEU 32 1HD2 LEU 32 -5.168 -5.187 -8.050 263 HD23 LEU 32 2HD2 LEU 32 -5.267 -4.499 -6.410 264 H ILE 33 H ILE 33 -0.796 -3.868 -3.298 265 HA ILE 33 HA ILE 33 0.726 -1.659 -4.445 266 HB ILE 33 HB ILE 33 1.172 -1.059 -2.075 267 HG12 ILE 33 2HG1 ILE 33 -0.500 -3.295 -1.095 268 HG13 ILE 33 3HG1 ILE 33 1.181 -3.649 -1.555 269 HG21 ILE 33 1HG2 ILE 33 -1.171 -0.731 -1.359 270 HG22 ILE 33 2HG2 ILE 33 -0.977 -0.383 -3.092 271 HG23 ILE 33 3HG2 ILE 33 -1.709 -1.918 -2.570 272 HD11 ILE 33 3HD1 ILE 33 0.293 -1.564 0.469 273 HD12 ILE 33 1HD1 ILE 33 1.005 -3.149 0.850 274 HD13 ILE 33 2HD1 ILE 33 1.975 -1.917 0.007 275 H ASN 34 H ASN 34 1.543 -4.834 -3.436 276 HA ASN 34 HA ASN 34 4.370 -4.250 -2.969 277 HB2 ASN 34 2HB ASN 34 3.061 -7.039 -3.414 278 HB3 ASN 34 3HB ASN 34 4.712 -6.421 -3.171 279 HD21 ASN 34 1HD2 ASN 34 2.728 -8.127 -1.593 280 HD22 ASN 34 2HD2 ASN 34 2.779 -7.446 -0.002 281 H LYS 35 H LYS 35 2.425 -5.342 -5.728 282 HA LYS 35 HA LYS 35 4.631 -5.440 -7.586 283 HB2 LYS 35 2HB LYS 35 2.379 -6.367 -8.003 284 HB3 LYS 35 3HB LYS 35 1.738 -4.708 -8.062 285 HG2 LYS 35 2HG LYS 35 3.086 -4.215 -10.027 286 HG3 LYS 35 3HG LYS 35 3.847 -5.821 -9.940 287 HD2 LYS 35 2HD LYS 35 1.655 -6.880 -10.314 288 HD3 LYS 35 3HD LYS 35 0.895 -5.274 -10.403 289 HE2 LYS 35 2HE LYS 35 2.293 -4.721 -12.350 290 HE3 LYS 35 3HE LYS 35 3.046 -6.330 -12.265 291 HZ1 LYS 35 3HZ LYS 35 0.187 -5.799 -12.763 292 HZ2 LYS 35 1HZ LYS 35 1.290 -6.255 -13.901 293 HZ3 LYS 35 2HZ LYS 35 0.885 -7.292 -12.683 294 H ALA 36 H ALA 36 2.965 -2.832 -6.036 295 HA ALA 36 HA ALA 36 3.440 -0.891 -8.139 296 HB1 ALA 36 3HB ALA 36 2.723 -0.507 -5.213 297 HB2 ALA 36 1HB ALA 36 2.674 0.751 -6.469 298 HB3 ALA 36 2HB ALA 36 1.574 -0.644 -6.564 299 H LYS 37 H LYS 37 5.730 -1.445 -8.434 300 HA LYS 37 HA LYS 37 7.703 -0.884 -6.433 301 HB2 LYS 37 2HB LYS 37 7.967 -2.156 -8.608 302 HB3 LYS 37 3HB LYS 37 8.039 -0.570 -9.412 303 HG2 LYS 37 2HG LYS 37 10.040 0.023 -8.190 304 HG3 LYS 37 3HG LYS 37 9.929 -1.459 -7.210 305 HD2 LYS 37 2HD LYS 37 10.175 -2.796 -9.313 306 HD3 LYS 37 3HD LYS 37 10.446 -1.275 -10.197 307 HE2 LYS 37 2HE LYS 37 12.409 -0.799 -8.830 308 HE3 LYS 37 3HE LYS 37 12.123 -2.272 -7.874 309 HZ1 LYS 37 3HZ LYS 37 12.753 -2.193 -10.756 310 HZ2 LYS 37 1HZ LYS 37 13.804 -2.614 -9.556 311 HZ3 LYS 37 2HZ LYS 37 12.488 -3.560 -9.870 312 H THR 38 H THR 38 5.585 1.221 -7.964 313 HA THR 38 HA THR 38 7.355 3.524 -7.221 314 HB THR 38 HB THR 38 5.865 4.944 -8.489 315 HG1 THR 38 HG1 THR 38 4.306 2.641 -9.127 316 HG21 THR 38 3HG2 THR 38 6.429 2.391 -10.051 317 HG22 THR 38 1HG2 THR 38 6.097 3.991 -10.757 318 HG23 THR 38 2HG2 THR 38 7.574 3.729 -9.798 319 H VAL 39 H VAL 39 6.659 5.126 -5.855 320 HA VAL 39 HA VAL 39 4.884 4.329 -3.688 321 HB VAL 39 HB VAL 39 6.026 7.040 -4.483 322 HG11 VAL 39 1HG1 VAL 39 5.365 7.750 -2.208 323 HG12 VAL 39 2HG1 VAL 39 3.944 7.279 -3.171 324 HG13 VAL 39 3HG1 VAL 39 4.593 6.169 -1.940 325 HG21 VAL 39 3HG2 VAL 39 7.730 5.434 -3.863 326 HG22 VAL 39 1HG2 VAL 39 7.552 6.684 -2.608 327 HG23 VAL 39 2HG2 VAL 39 6.859 5.064 -2.354 328 H GLU 40 H GLU 40 4.450 6.285 -6.596 329 HA GLU 40 HA GLU 40 1.848 7.283 -5.872 330 HB2 GLU 40 2HB GLU 40 3.191 6.810 -8.534 331 HB3 GLU 40 3HB GLU 40 1.597 7.581 -8.348 332 HG2 GLU 40 2HG GLU 40 2.678 9.455 -7.043 333 HG3 GLU 40 3HG GLU 40 4.185 8.520 -7.184 334 H GLY 41 H GLY 41 2.922 4.322 -7.475 335 HA2 GLY 41 2HA GLY 41 0.367 3.347 -8.243 336 HA3 GLY 41 3HA GLY 41 1.786 2.346 -7.858 337 H VAL 42 H VAL 42 2.210 2.934 -5.205 338 HA VAL 42 HA VAL 42 0.341 1.144 -3.936 339 HB VAL 42 HB VAL 42 2.328 3.123 -2.744 340 HG11 VAL 42 1HG1 VAL 42 2.079 1.799 -0.672 341 HG12 VAL 42 2HG1 VAL 42 0.535 2.549 -1.141 342 HG13 VAL 42 3HG1 VAL 42 0.814 0.817 -1.450 343 HG21 VAL 42 3HG2 VAL 42 3.384 1.427 -4.114 344 HG22 VAL 42 1HG2 VAL 42 3.725 1.150 -2.390 345 HG23 VAL 42 2HG2 VAL 42 2.519 0.146 -3.231 346 H ASN 43 H ASN 43 0.557 4.682 -3.932 347 HA ASN 43 HA ASN 43 -1.703 4.982 -2.122 348 HB2 ASN 43 2HB ASN 43 0.145 6.900 -2.657 349 HB3 ASN 43 3HB ASN 43 -0.808 6.765 -4.154 350 HD21 ASN 43 1HD2 ASN 43 -1.964 8.524 -4.323 351 HD22 ASN 43 2HD2 ASN 43 -2.962 9.213 -3.086 352 H ALA 44 H ALA 44 -1.312 5.013 -5.649 353 HA ALA 44 HA ALA 44 -4.015 5.792 -6.204 354 HB1 ALA 44 3HB ALA 44 -2.052 4.210 -7.901 355 HB2 ALA 44 1HB ALA 44 -3.551 4.971 -8.482 356 HB3 ALA 44 2HB ALA 44 -2.221 5.982 -7.868 357 H LEU 45 H LEU 45 -2.445 2.599 -5.993 358 HA LEU 45 HA LEU 45 -4.798 1.070 -6.580 359 HB2 LEU 45 2HB LEU 45 -2.453 0.539 -4.876 360 HB3 LEU 45 3HB LEU 45 -3.520 -0.792 -5.380 361 HG LEU 45 HG LEU 45 -2.164 0.930 -7.448 362 HD11 LEU 45 1HD1 LEU 45 -0.251 -0.694 -7.484 363 HD12 LEU 45 2HD1 LEU 45 -0.348 0.155 -5.924 364 HD13 LEU 45 3HD1 LEU 45 -0.942 -1.517 -6.067 365 HD21 LEU 45 3HD2 LEU 45 -3.906 -0.596 -8.166 366 HD22 LEU 45 1HD2 LEU 45 -2.329 -1.137 -8.792 367 HD23 LEU 45 2HD2 LEU 45 -3.066 -1.964 -7.396 368 H LYS 46 H LYS 46 -3.365 1.987 -3.438 369 HA LYS 46 HA LYS 46 -5.408 0.767 -1.850 370 HB2 LYS 46 2HB LYS 46 -3.106 1.676 -1.178 371 HB3 LYS 46 3HB LYS 46 -3.907 3.263 -1.098 372 HG2 LYS 46 2HG LYS 46 -5.612 2.001 0.453 373 HG3 LYS 46 3HG LYS 46 -4.276 0.843 0.650 374 HD2 LYS 46 2HD LYS 46 -4.130 2.444 2.438 375 HD3 LYS 46 3HD LYS 46 -2.799 2.762 1.301 376 HE2 LYS 46 2HE LYS 46 -4.166 4.544 0.249 377 HE3 LYS 46 3HE LYS 46 -5.434 4.257 1.462 378 HZ1 LYS 46 3HZ LYS 46 -2.678 5.141 2.038 379 HZ2 LYS 46 1HZ LYS 46 -4.020 6.100 2.072 380 HZ3 LYS 46 2HZ LYS 46 -3.854 4.875 3.164 381 H ASP 47 H ASP 47 -5.266 3.867 -3.494 382 HA ASP 47 HA ASP 47 -7.085 5.360 -1.972 383 HB2 ASP 47 2HB ASP 47 -5.744 6.081 -4.141 384 HB3 ASP 47 3HB ASP 47 -7.116 5.247 -4.911 385 H GLU 48 H GLU 48 -7.800 2.933 -4.460 386 HA GLU 48 HA GLU 48 -10.654 3.338 -4.426 387 HB2 GLU 48 2HB GLU 48 -8.931 0.968 -5.155 388 HB3 GLU 48 3HB GLU 48 -10.699 1.013 -5.355 389 HG2 GLU 48 2HG GLU 48 -10.445 2.925 -6.989 390 HG3 GLU 48 3HG GLU 48 -8.710 2.862 -6.603 391 H ILE 49 H ILE 49 -8.477 1.346 -2.488 392 HA ILE 49 HA ILE 49 -10.696 -0.065 -1.166 393 HB ILE 49 HB ILE 49 -7.742 0.122 -0.418 394 HG12 ILE 49 2HG1 ILE 49 -8.040 -0.772 -2.636 395 HG13 ILE 49 3HG1 ILE 49 -7.446 -1.990 -1.484 396 HG21 ILE 49 1HG2 ILE 49 -8.207 -1.929 0.882 397 HG22 ILE 49 2HG2 ILE 49 -9.210 -0.572 1.445 398 HG23 ILE 49 3HG2 ILE 49 -9.922 -1.836 0.414 399 HD11 ILE 49 3HD1 ILE 49 -10.307 -1.723 -2.473 400 HD12 ILE 49 1HD1 ILE 49 -9.133 -2.950 -3.002 401 HD13 ILE 49 2HD1 ILE 49 -9.714 -2.941 -1.320 402 H LEU 50 H LEU 50 -8.525 2.607 -0.343 403 HA LEU 50 HA LEU 50 -9.501 2.907 2.345 404 HB2 LEU 50 2HB LEU 50 -7.483 3.750 1.555 405 HB3 LEU 50 3HB LEU 50 -8.204 4.947 0.455 406 HG LEU 50 HG LEU 50 -9.317 5.971 2.499 407 HD11 LEU 50 1HD1 LEU 50 -8.220 5.479 4.702 408 HD12 LEU 50 2HD1 LEU 50 -8.996 4.027 4.028 409 HD13 LEU 50 3HD1 LEU 50 -7.231 4.228 3.913 410 HD21 LEU 50 3HD2 LEU 50 -7.416 7.009 1.408 411 HD22 LEU 50 1HD2 LEU 50 -7.293 7.218 3.171 412 HD23 LEU 50 2HD2 LEU 50 -6.289 6.001 2.347 413 H LYS 51 H LYS 51 -10.635 4.121 -0.759 414 HA LYS 51 HA LYS 51 -12.789 5.641 0.645 415 HB2 LYS 51 2HB LYS 51 -11.913 5.569 -2.246 416 HB3 LYS 51 3HB LYS 51 -13.273 6.524 -1.608 417 HG2 LYS 51 2HG LYS 51 -11.696 7.776 -0.169 418 HG3 LYS 51 3HG LYS 51 -10.346 6.847 -0.863 419 HD2 LYS 51 2HD LYS 51 -10.878 7.726 -3.096 420 HD3 LYS 51 3HD LYS 51 -12.245 8.640 -2.415 421 HE2 LYS 51 2HE LYS 51 -10.701 9.922 -1.008 422 HE3 LYS 51 3HE LYS 51 -9.329 8.997 -1.657 423 HZ1 LYS 51 3HZ LYS 51 -11.109 10.751 -3.226 424 HZ2 LYS 51 1HZ LYS 51 -9.570 11.118 -2.756 425 HZ3 LYS 51 2HZ LYS 51 -9.836 9.893 -3.828 426 H ALA 52 H ALA 52 -12.466 2.598 0.135 427 HA ALA 52 HA ALA 52 -14.600 1.856 -1.625 428 HB1 ALA 52 3HB ALA 52 -13.445 0.378 0.765 429 HB2 ALA 52 1HB ALA 52 -14.484 -0.330 -0.493 430 HB3 ALA 52 2HB ALA 52 -12.864 0.274 -0.914 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 18.567 -3.504 -3.538 2 H2 GLY 1 2H GLY 1 17.249 -2.944 -3.984 3 H3 GLY 1 3H GLY 1 18.489 -2.105 -4.073 4 HA2 GLY 1 2HA GLY 1 16.702 -2.169 -1.867 5 HA3 GLY 1 3HA GLY 1 18.265 -2.834 -1.338 6 H THR 2 H THR 2 17.016 -0.083 -3.278 7 HA THR 2 HA THR 2 19.215 1.634 -2.289 8 HB THR 2 HB THR 2 18.369 3.308 -3.814 9 HG1 THR 2 HG1 THR 2 16.390 2.739 -5.034 10 HG21 THR 2 3HG2 THR 2 18.153 0.554 -5.096 11 HG22 THR 2 1HG2 THR 2 18.419 2.087 -5.960 12 HG23 THR 2 2HG2 THR 2 19.659 1.468 -4.843 13 H ILE 3 H ILE 3 18.654 3.880 -1.608 14 HA ILE 3 HA ILE 3 17.049 3.817 0.788 15 HB ILE 3 HB ILE 3 18.138 6.131 -0.874 16 HG12 ILE 3 2HG1 ILE 3 19.033 5.080 1.794 17 HG13 ILE 3 3HG1 ILE 3 19.735 4.590 0.235 18 HG21 ILE 3 1HG2 ILE 3 17.610 7.551 1.079 19 HG22 ILE 3 2HG2 ILE 3 16.134 6.839 0.389 20 HG23 ILE 3 3HG2 ILE 3 16.835 6.164 1.879 21 HD11 ILE 3 3HD1 ILE 3 19.687 7.414 1.355 22 HD12 ILE 3 1HD1 ILE 3 21.099 6.333 1.317 23 HD13 ILE 3 2HD1 ILE 3 20.389 6.924 -0.204 24 H ASP 4 H ASP 4 16.353 4.967 -2.486 25 HA ASP 4 HA ASP 4 13.728 5.971 -1.850 26 HB2 ASP 4 2HB ASP 4 14.905 4.974 -4.514 27 HB3 ASP 4 3HB ASP 4 13.281 5.622 -4.171 28 H GLU 5 H GLU 5 14.908 2.781 -2.851 29 HA GLU 5 HA GLU 5 12.264 1.592 -2.979 30 HB2 GLU 5 2HB GLU 5 15.032 0.436 -2.638 31 HB3 GLU 5 3HB GLU 5 13.554 -0.545 -2.786 32 HG2 GLU 5 2HG GLU 5 13.193 0.332 -5.104 33 HG3 GLU 5 3HG GLU 5 14.541 1.446 -4.783 34 H TRP 6 H TRP 6 14.604 2.127 -0.414 35 HA TRP 6 HA TRP 6 13.285 0.459 1.548 36 HB2 TRP 6 2HB TRP 6 15.166 2.843 1.788 37 HB3 TRP 6 3HB TRP 6 14.565 1.917 3.185 38 HD1 TRP 6 HD1 TRP 6 14.826 -0.751 1.261 39 HE1 TRP 6 HE1 TRP 6 17.261 -1.925 1.221 40 HE3 TRP 6 HE3 TRP 6 17.568 3.189 2.935 41 HZ2 TRP 6 HZ2 TRP 6 19.835 -1.135 1.838 42 HZ3 TRP 6 HZ3 TRP 6 19.961 2.976 3.203 43 HH2 TRP 6 HH2 TRP 6 21.134 0.881 2.678 44 H LEU 7 H LEU 7 13.016 3.904 0.704 45 HA LEU 7 HA LEU 7 11.012 4.512 2.674 46 HB2 LEU 7 2HB LEU 7 11.566 5.592 -0.012 47 HB3 LEU 7 3HB LEU 7 10.524 6.484 1.122 48 HG LEU 7 HG LEU 7 13.428 5.812 1.695 49 HD11 LEU 7 1HD1 LEU 7 13.936 8.192 1.084 50 HD12 LEU 7 2HD1 LEU 7 13.297 7.289 -0.309 51 HD13 LEU 7 3HD1 LEU 7 12.242 8.409 0.585 52 HD21 LEU 7 3HD2 LEU 7 12.060 6.256 3.646 53 HD22 LEU 7 1HD2 LEU 7 13.208 7.592 3.394 54 HD23 LEU 7 2HD2 LEU 7 11.498 7.791 2.940 55 H LEU 8 H LEU 8 10.741 3.567 -0.755 56 HA LEU 8 HA LEU 8 7.893 3.467 -0.836 57 HB2 LEU 8 2HB LEU 8 9.401 3.406 -2.660 58 HB3 LEU 8 3HB LEU 8 9.903 1.725 -2.366 59 HG LEU 8 HG LEU 8 7.620 2.734 -3.827 60 HD11 LEU 8 1HD1 LEU 8 7.413 0.317 -4.467 61 HD12 LEU 8 2HD1 LEU 8 9.104 0.862 -4.542 62 HD13 LEU 8 3HD1 LEU 8 8.543 -0.109 -3.161 63 HD21 LEU 8 3HD2 LEU 8 6.422 2.623 -1.723 64 HD22 LEU 8 1HD2 LEU 8 5.847 1.342 -2.816 65 HD23 LEU 8 2HD2 LEU 8 6.950 0.942 -1.477 66 H LYS 9 H LYS 9 10.263 0.978 0.085 67 HA LYS 9 HA LYS 9 8.411 -1.104 0.655 68 HB2 LYS 9 2HB LYS 9 10.871 -1.328 0.600 69 HB3 LYS 9 3HB LYS 9 10.962 -0.406 2.119 70 HG2 LYS 9 2HG LYS 9 9.816 -2.145 3.326 71 HG3 LYS 9 3HG LYS 9 9.460 -3.025 1.821 72 HD2 LYS 9 2HD LYS 9 12.207 -2.530 3.021 73 HD3 LYS 9 3HD LYS 9 11.323 -4.075 3.011 74 HE2 LYS 9 2HE LYS 9 11.431 -4.188 0.603 75 HE3 LYS 9 3HE LYS 9 12.137 -2.558 0.515 76 HZ1 LYS 9 3HZ LYS 9 13.413 -4.917 1.743 77 HZ2 LYS 9 1HZ LYS 9 13.809 -4.267 0.280 78 HZ3 LYS 9 2HZ LYS 9 14.071 -3.406 1.663 79 H GLU 10 H GLU 10 9.455 1.647 2.635 80 HA GLU 10 HA GLU 10 7.893 0.804 4.950 81 HB2 GLU 10 2HB GLU 10 9.195 3.402 4.139 82 HB3 GLU 10 3HB GLU 10 8.287 3.189 5.656 83 HG2 GLU 10 2HG GLU 10 9.956 1.430 6.378 84 HG3 GLU 10 3HG GLU 10 10.699 1.658 4.779 85 H ALA 11 H ALA 11 7.333 2.867 2.149 86 HA ALA 11 HA ALA 11 4.901 4.040 3.117 87 HB1 ALA 11 3HB ALA 11 5.819 3.522 0.268 88 HB2 ALA 11 1HB ALA 11 4.487 4.595 0.751 89 HB3 ALA 11 2HB ALA 11 6.156 4.980 1.230 90 H LYS 12 H LYS 12 5.613 1.030 1.415 91 HA LYS 12 HA LYS 12 2.924 0.265 0.822 92 HB2 LYS 12 2HB LYS 12 5.368 -1.374 1.502 93 HB3 LYS 12 3HB LYS 12 3.828 -2.055 0.928 94 HG2 LYS 12 2HG LYS 12 4.071 -1.109 -1.215 95 HG3 LYS 12 3HG LYS 12 5.316 0.035 -0.664 96 HD2 LYS 12 2HD LYS 12 6.904 -1.782 -0.347 97 HD3 LYS 12 3HD LYS 12 5.658 -2.979 -0.774 98 HE2 LYS 12 2HE LYS 12 5.497 -2.018 -3.027 99 HE3 LYS 12 3HE LYS 12 6.729 -0.808 -2.603 100 HZ1 LYS 12 3HZ LYS 12 7.147 -3.727 -2.674 101 HZ2 LYS 12 1HZ LYS 12 7.675 -2.655 -3.811 102 HZ3 LYS 12 2HZ LYS 12 8.291 -2.604 -2.280 103 H GLU 13 H GLU 13 4.913 -0.325 3.721 104 HA GLU 13 HA GLU 13 2.800 -1.783 5.084 105 HB2 GLU 13 2HB GLU 13 5.325 -0.436 6.044 106 HB3 GLU 13 3HB GLU 13 4.229 -1.369 7.092 107 HG2 GLU 13 2HG GLU 13 4.712 -3.436 5.717 108 HG3 GLU 13 3HG GLU 13 5.680 -2.366 4.676 109 H LYS 14 H LYS 14 3.904 1.588 5.107 110 HA LYS 14 HA LYS 14 2.342 2.319 7.428 111 HB2 LYS 14 2HB LYS 14 3.651 3.885 5.209 112 HB3 LYS 14 3HB LYS 14 2.732 4.657 6.523 113 HG2 LYS 14 2HG LYS 14 4.280 3.649 8.173 114 HG3 LYS 14 3HG LYS 14 5.217 2.937 6.837 115 HD2 LYS 14 2HD LYS 14 6.216 5.041 7.715 116 HD3 LYS 14 3HD LYS 14 5.783 5.134 5.991 117 HE2 LYS 14 2HE LYS 14 5.009 7.162 6.860 118 HE3 LYS 14 3HE LYS 14 3.556 6.138 6.800 119 HZ1 LYS 14 3HZ LYS 14 5.203 6.636 9.196 120 HZ2 LYS 14 1HZ LYS 14 3.731 7.311 8.888 121 HZ3 LYS 14 2HZ LYS 14 3.856 5.685 9.141 122 H ALA 15 H ALA 15 1.679 2.254 3.973 123 HA ALA 15 HA ALA 15 -0.569 4.061 4.124 124 HB1 ALA 15 3HB ALA 15 0.179 2.020 2.002 125 HB2 ALA 15 1HB ALA 15 -1.029 3.312 1.822 126 HB3 ALA 15 2HB ALA 15 0.688 3.724 2.043 127 H ILE 16 H ILE 16 -0.243 0.525 4.141 128 HA ILE 16 HA ILE 16 -3.134 0.095 3.921 129 HB ILE 16 HB ILE 16 -0.943 -1.845 4.791 130 HG12 ILE 16 2HG1 ILE 16 -0.235 -1.167 2.722 131 HG13 ILE 16 3HG1 ILE 16 -1.164 -2.652 2.411 132 HG21 ILE 16 1HG2 ILE 16 -2.556 -3.565 4.048 133 HG22 ILE 16 2HG2 ILE 16 -3.244 -2.559 5.344 134 HG23 ILE 16 3HG2 ILE 16 -3.734 -2.292 3.655 135 HD11 ILE 16 3HD1 ILE 16 -2.163 0.189 2.003 136 HD12 ILE 16 1HD1 ILE 16 -1.649 -0.928 0.718 137 HD13 ILE 16 2HD1 ILE 16 -3.092 -1.296 1.693 138 H GLU 17 H GLU 17 -0.916 0.613 6.528 139 HA GLU 17 HA GLU 17 -2.301 -0.488 8.704 140 HB2 GLU 17 2HB GLU 17 -0.156 0.730 8.812 141 HB3 GLU 17 3HB GLU 17 -1.038 2.254 8.545 142 HG2 GLU 17 2HG GLU 17 -2.254 1.893 10.743 143 HG3 GLU 17 3HG GLU 17 -1.366 0.355 10.831 144 H GLU 18 H GLU 18 -3.081 2.437 6.868 145 HA GLU 18 HA GLU 18 -5.316 3.231 8.501 146 HB2 GLU 18 2HB GLU 18 -4.716 3.622 5.566 147 HB3 GLU 18 3HB GLU 18 -6.072 4.384 6.431 148 HG2 GLU 18 2HG GLU 18 -4.444 5.644 7.873 149 HG3 GLU 18 3HG GLU 18 -3.171 4.687 7.080 150 H LEU 19 H LEU 19 -5.022 1.024 5.740 151 HA LEU 19 HA LEU 19 -7.841 0.483 5.518 152 HB2 LEU 19 2HB LEU 19 -5.318 -0.578 4.650 153 HB3 LEU 19 3HB LEU 19 -6.583 -1.828 4.605 154 HG LEU 19 HG LEU 19 -7.874 -0.601 3.021 155 HD11 LEU 19 1HD1 LEU 19 -7.210 1.691 2.246 156 HD12 LEU 19 2HD1 LEU 19 -7.528 1.667 3.997 157 HD13 LEU 19 3HD1 LEU 19 -5.852 1.669 3.396 158 HD21 LEU 19 3HD2 LEU 19 -6.017 -1.827 2.058 159 HD22 LEU 19 1HD2 LEU 19 -6.322 -0.349 1.115 160 HD23 LEU 19 2HD2 LEU 19 -4.950 -0.415 2.248 161 H LYS 20 H LYS 20 -5.251 -1.004 7.425 162 HA LYS 20 HA LYS 20 -6.833 -3.097 8.572 163 HB2 LYS 20 2HB LYS 20 -4.536 -1.518 9.739 164 HB3 LYS 20 3HB LYS 20 -5.202 -3.026 10.408 165 HG2 LYS 20 2HG LYS 20 -4.580 -4.179 8.277 166 HG3 LYS 20 3HG LYS 20 -3.794 -2.675 7.740 167 HD2 LYS 20 2HD LYS 20 -2.337 -2.766 9.762 168 HD3 LYS 20 3HD LYS 20 -3.070 -4.333 10.179 169 HE2 LYS 20 2HE LYS 20 -2.262 -5.301 8.094 170 HE3 LYS 20 3HE LYS 20 -1.600 -3.728 7.596 171 HZ1 LYS 20 3HZ LYS 20 -0.719 -5.296 9.934 172 HZ2 LYS 20 1HZ LYS 20 0.099 -5.161 8.508 173 HZ3 LYS 20 2HZ LYS 20 -0.103 -3.837 9.472 174 H LYS 21 H LYS 21 -6.362 0.290 9.534 175 HA LYS 21 HA LYS 21 -8.140 0.122 11.820 176 HB2 LYS 21 2HB LYS 21 -7.208 2.420 10.097 177 HB3 LYS 21 3HB LYS 21 -8.246 2.608 11.531 178 HG2 LYS 21 2HG LYS 21 -6.491 1.692 12.959 179 HG3 LYS 21 3HG LYS 21 -5.458 1.402 11.539 180 HD2 LYS 21 2HD LYS 21 -5.447 3.838 11.077 181 HD3 LYS 21 3HD LYS 21 -6.424 4.103 12.540 182 HE2 LYS 21 2HE LYS 21 -4.645 3.160 13.925 183 HE3 LYS 21 3HE LYS 21 -3.673 2.827 12.473 184 HZ1 LYS 21 3HZ LYS 21 -4.491 5.502 13.411 185 HZ2 LYS 21 1HZ LYS 21 -2.981 4.854 13.561 186 HZ3 LYS 21 2HZ LYS 21 -3.589 5.194 12.065 187 H ALA 22 H ALA 22 -8.628 0.392 8.394 188 HA ALA 22 HA ALA 22 -11.327 1.517 8.708 189 HB1 ALA 22 3HB ALA 22 -9.840 0.539 6.246 190 HB2 ALA 22 1HB ALA 22 -11.401 1.391 6.248 191 HB3 ALA 22 2HB ALA 22 -9.933 2.222 6.815 192 H GLY 23 H GLY 23 -9.960 -1.530 8.943 193 HA2 GLY 23 2HA GLY 23 -11.188 -3.457 9.548 194 HA3 GLY 23 3HA GLY 23 -12.660 -2.727 8.865 195 H ILE 24 H ILE 24 -9.805 -2.551 6.938 196 HA ILE 24 HA ILE 24 -10.958 -4.481 4.993 197 HB ILE 24 HB ILE 24 -8.474 -2.713 4.820 198 HG12 ILE 24 2HG1 ILE 24 -10.467 -1.392 5.039 199 HG13 ILE 24 3HG1 ILE 24 -9.756 -1.261 3.413 200 HG21 ILE 24 1HG2 ILE 24 -8.607 -3.202 2.401 201 HG22 ILE 24 2HG2 ILE 24 -8.396 -4.695 3.344 202 HG23 ILE 24 3HG2 ILE 24 -9.997 -4.273 2.693 203 HD11 ILE 24 3HD1 ILE 24 -12.174 -2.940 4.169 204 HD12 ILE 24 1HD1 ILE 24 -12.214 -1.388 3.303 205 HD13 ILE 24 2HD1 ILE 24 -11.462 -2.811 2.543 206 H THR 25 H THR 25 -10.392 -6.446 4.668 207 HA THR 25 HA THR 25 -7.860 -7.396 5.967 208 HB THR 25 HB THR 25 -9.031 -9.509 6.519 209 HG1 THR 25 HG1 THR 25 -11.352 -9.501 6.340 210 HG21 THR 25 3HG2 THR 25 -10.424 -7.035 7.616 211 HG22 THR 25 1HG2 THR 25 -10.415 -8.644 8.373 212 HG23 THR 25 2HG2 THR 25 -8.900 -7.723 8.222 213 H SER 26 H SER 26 -9.050 -6.737 3.117 214 HA SER 26 HA SER 26 -8.921 -9.262 1.635 215 HB2 SER 26 2HB SER 26 -10.260 -7.537 0.871 216 HB3 SER 26 3HB SER 26 -8.862 -6.446 0.735 217 HG SER 26 HG SER 26 -9.268 -8.871 -0.679 218 H ASP 27 H ASP 27 -7.000 -10.353 1.763 219 HA ASP 27 HA ASP 27 -4.406 -9.058 1.704 220 HB2 ASP 27 2HB ASP 27 -5.223 -11.980 1.188 221 HB3 ASP 27 3HB ASP 27 -3.605 -11.237 1.130 222 H TYR 28 H TYR 28 -6.664 -10.100 -0.738 223 HA TYR 28 HA TYR 28 -4.926 -10.328 -2.968 224 HB2 TYR 28 2HB TYR 28 -7.262 -10.940 -3.067 225 HB3 TYR 28 3HB TYR 28 -7.743 -9.249 -2.777 226 HD1 TYR 28 HD1 TYR 28 -6.072 -11.503 -5.228 227 HD2 TYR 28 HD2 TYR 28 -7.923 -7.716 -4.579 228 HE1 TYR 28 HE1 TYR 28 -6.056 -11.085 -7.670 229 HE2 TYR 28 HE2 TYR 28 -7.915 -7.283 -7.012 230 HH TYR 28 HH TYR 28 -7.361 -8.077 -9.075 231 H TYR 29 H TYR 29 -6.682 -7.415 -1.855 232 HA TYR 29 HA TYR 29 -5.356 -5.733 -3.826 233 HB2 TYR 29 2HB TYR 29 -6.991 -5.124 -1.358 234 HB3 TYR 29 3HB TYR 29 -6.361 -3.888 -2.474 235 HD1 TYR 29 HD2 TYR 29 -6.974 -4.353 -5.035 236 HD2 TYR 29 HD1 TYR 29 -9.171 -5.853 -1.703 237 HE1 TYR 29 HE2 TYR 29 -8.957 -4.633 -6.483 238 HE2 TYR 29 HE1 TYR 29 -11.169 -6.140 -3.140 239 HH TYR 29 HH TYR 29 -12.045 -5.914 -5.223 240 H PHE 30 H PHE 30 -4.738 -6.606 -0.479 241 HA PHE 30 HA PHE 30 -2.659 -4.687 0.019 242 HB2 PHE 30 2HB PHE 30 -3.115 -7.506 1.085 243 HB3 PHE 30 3HB PHE 30 -1.863 -6.399 1.692 244 HD1 PHE 30 HD2 PHE 30 -4.748 -4.606 0.707 245 HD2 PHE 30 HD1 PHE 30 -3.123 -7.002 3.849 246 HE1 PHE 30 HE2 PHE 30 -6.376 -3.629 2.290 247 HE2 PHE 30 HE1 PHE 30 -4.753 -6.030 5.435 248 HZ PHE 30 HZ PHE 30 -6.379 -4.344 4.654 249 H ASP 31 H ASP 31 -2.732 -7.674 -1.811 250 HA ASP 31 HA ASP 31 0.149 -7.906 -2.087 251 HB2 ASP 31 2HB ASP 31 -2.156 -9.071 -3.758 252 HB3 ASP 31 3HB ASP 31 -0.400 -9.222 -4.014 253 H LEU 32 H LEU 32 -2.331 -6.053 -3.720 254 HA LEU 32 HA LEU 32 -0.959 -5.779 -6.229 255 HB2 LEU 32 2HB LEU 32 -3.177 -4.667 -4.798 256 HB3 LEU 32 3HB LEU 32 -2.581 -3.512 -6.012 257 HG LEU 32 HG LEU 32 -2.823 -5.349 -7.734 258 HD11 LEU 32 1HD1 LEU 32 -4.362 -7.240 -7.143 259 HD12 LEU 32 2HD1 LEU 32 -2.892 -7.266 -6.140 260 HD13 LEU 32 3HD1 LEU 32 -4.420 -6.649 -5.465 261 HD21 LEU 32 3HD2 LEU 32 -4.434 -3.545 -7.565 262 HD22 LEU 32 1HD2 LEU 32 -5.265 -5.066 -7.970 263 HD23 LEU 32 2HD2 LEU 32 -5.335 -4.429 -6.309 264 H ILE 33 H ILE 33 -0.842 -3.927 -3.233 265 HA ILE 33 HA ILE 33 0.756 -1.757 -4.352 266 HB ILE 33 HB ILE 33 1.213 -1.200 -1.972 267 HG12 ILE 33 2HG1 ILE 33 -0.537 -3.388 -1.025 268 HG13 ILE 33 3HG1 ILE 33 1.133 -3.793 -1.483 269 HG21 ILE 33 1HG2 ILE 33 -1.120 -0.799 -1.261 270 HG22 ILE 33 2HG2 ILE 33 -0.906 -0.438 -2.990 271 HG23 ILE 33 3HG2 ILE 33 -1.693 -1.953 -2.488 272 HD11 ILE 33 3HD1 ILE 33 0.305 -1.703 0.562 273 HD12 ILE 33 1HD1 ILE 33 0.962 -3.315 0.928 274 HD13 ILE 33 2HD1 ILE 33 1.977 -2.107 0.104 275 H ASN 34 H ASN 34 1.464 -4.968 -3.367 276 HA ASN 34 HA ASN 34 4.311 -4.482 -2.908 277 HB2 ASN 34 2HB ASN 34 2.910 -7.222 -3.375 278 HB3 ASN 34 3HB ASN 34 4.581 -6.661 -3.128 279 HD21 ASN 34 1HD2 ASN 34 2.557 -8.322 -1.560 280 HD22 ASN 34 2HD2 ASN 34 2.629 -7.656 0.037 281 H LYS 35 H LYS 35 2.320 -5.490 -5.667 282 HA LYS 35 HA LYS 35 4.518 -5.644 -7.533 283 HB2 LYS 35 2HB LYS 35 2.241 -6.510 -7.945 284 HB3 LYS 35 3HB LYS 35 1.643 -4.835 -7.996 285 HG2 LYS 35 2HG LYS 35 2.999 -4.371 -9.965 286 HG3 LYS 35 3HG LYS 35 3.716 -5.998 -9.885 287 HD2 LYS 35 2HD LYS 35 1.496 -6.998 -10.256 288 HD3 LYS 35 3HD LYS 35 0.779 -5.370 -10.337 289 HE2 LYS 35 2HE LYS 35 2.186 -4.849 -12.286 290 HE3 LYS 35 3HE LYS 35 2.894 -6.479 -12.208 291 HZ1 LYS 35 3HZ LYS 35 0.049 -5.867 -12.695 292 HZ2 LYS 35 1HZ LYS 35 1.136 -6.350 -13.839 293 HZ3 LYS 35 2HZ LYS 35 0.706 -7.379 -12.623 294 H ALA 36 H ALA 36 2.931 -3.000 -5.965 295 HA ALA 36 HA ALA 36 3.444 -1.063 -8.062 296 HB1 ALA 36 3HB ALA 36 2.764 -0.673 -5.127 297 HB2 ALA 36 1HB ALA 36 2.740 0.593 -6.377 298 HB3 ALA 36 2HB ALA 36 1.600 -0.771 -6.469 299 H LYS 37 H LYS 37 5.716 -1.681 -8.379 300 HA LYS 37 HA LYS 37 7.720 -1.194 -6.390 301 HB2 LYS 37 2HB LYS 37 7.926 -2.457 -8.578 302 HB3 LYS 37 3HB LYS 37 8.043 -0.868 -9.370 303 HG2 LYS 37 2HG LYS 37 10.074 -0.352 -8.166 304 HG3 LYS 37 3HG LYS 37 9.918 -1.828 -7.185 305 HD2 LYS 37 2HD LYS 37 10.112 -3.177 -9.279 306 HD3 LYS 37 3HD LYS 37 10.410 -1.670 -10.177 307 HE2 LYS 37 2HE LYS 37 12.403 -1.234 -8.841 308 HE3 LYS 37 3HE LYS 37 12.093 -2.691 -7.869 309 HZ1 LYS 37 3HZ LYS 37 12.686 -2.652 -10.760 310 HZ2 LYS 37 1HZ LYS 37 13.741 -3.089 -9.570 311 HZ3 LYS 37 2HZ LYS 37 12.399 -4.003 -9.859 312 H THR 38 H THR 38 5.662 0.985 -7.907 313 HA THR 38 HA THR 38 7.507 3.228 -7.163 314 HB THR 38 HB THR 38 6.062 4.698 -8.429 315 HG1 THR 38 HG1 THR 38 4.428 2.454 -9.080 316 HG21 THR 38 3HG2 THR 38 6.539 2.129 -9.992 317 HG22 THR 38 1HG2 THR 38 6.260 3.739 -10.697 318 HG23 THR 38 2HG2 THR 38 7.729 3.427 -9.740 319 H VAL 39 H VAL 39 6.853 4.863 -5.806 320 HA VAL 39 HA VAL 39 5.068 4.121 -3.631 321 HB VAL 39 HB VAL 39 6.270 6.800 -4.444 322 HG11 VAL 39 1HG1 VAL 39 5.635 7.538 -2.171 323 HG12 VAL 39 2HG1 VAL 39 4.200 7.095 -3.125 324 HG13 VAL 39 3HG1 VAL 39 4.827 5.978 -1.890 325 HG21 VAL 39 3HG2 VAL 39 7.939 5.157 -3.820 326 HG22 VAL 39 1HG2 VAL 39 7.795 6.418 -2.573 327 HG23 VAL 39 2HG2 VAL 39 7.065 4.817 -2.307 328 H GLU 40 H GLU 40 4.669 6.075 -6.544 329 HA GLU 40 HA GLU 40 2.098 7.142 -5.810 330 HB2 GLU 40 2HB GLU 40 3.413 6.629 -8.478 331 HB3 GLU 40 3HB GLU 40 1.842 7.442 -8.285 332 HG2 GLU 40 2HG GLU 40 2.980 9.289 -6.987 333 HG3 GLU 40 3HG GLU 40 4.460 8.314 -7.136 334 H GLY 41 H GLY 41 3.085 4.150 -7.409 335 HA2 GLY 41 2HA GLY 41 0.503 3.245 -8.173 336 HA3 GLY 41 3HA GLY 41 1.896 2.206 -7.788 337 H VAL 42 H VAL 42 2.337 2.792 -5.134 338 HA VAL 42 HA VAL 42 0.435 1.036 -3.871 339 HB VAL 42 HB VAL 42 2.461 2.972 -2.675 340 HG11 VAL 42 1HG1 VAL 42 2.185 1.652 -0.603 341 HG12 VAL 42 2HG1 VAL 42 0.658 2.435 -1.073 342 HG13 VAL 42 3HG1 VAL 42 0.900 0.699 -1.382 343 HG21 VAL 42 3HG2 VAL 42 3.481 1.255 -4.047 344 HG22 VAL 42 1HG2 VAL 42 3.818 0.970 -2.324 345 HG23 VAL 42 2HG2 VAL 42 2.590 -0.008 -3.163 346 H ASN 43 H ASN 43 0.720 4.569 -3.848 347 HA ASN 43 HA ASN 43 -1.542 4.901 -2.045 348 HB2 ASN 43 2HB ASN 43 0.348 6.784 -2.552 349 HB3 ASN 43 3HB ASN 43 -0.599 6.682 -4.056 350 HD21 ASN 43 1HD2 ASN 43 -1.714 8.468 -4.215 351 HD22 ASN 43 2HD2 ASN 43 -2.705 9.166 -2.979 352 H ALA 44 H ALA 44 -1.130 4.956 -5.570 353 HA ALA 44 HA ALA 44 -3.806 5.813 -6.132 354 HB1 ALA 44 3HB ALA 44 -1.879 4.195 -7.834 355 HB2 ALA 44 1HB ALA 44 -3.352 5.005 -8.416 356 HB3 ALA 44 2HB ALA 44 -1.997 5.970 -7.783 357 H LEU 45 H LEU 45 -2.328 2.573 -5.970 358 HA LEU 45 HA LEU 45 -4.712 1.116 -6.593 359 HB2 LEU 45 2HB LEU 45 -2.406 0.503 -4.863 360 HB3 LEU 45 3HB LEU 45 -3.501 -0.793 -5.397 361 HG LEU 45 HG LEU 45 -2.076 0.914 -7.429 362 HD11 LEU 45 1HD1 LEU 45 -0.199 -0.750 -7.456 363 HD12 LEU 45 2HD1 LEU 45 -0.298 0.087 -5.889 364 HD13 LEU 45 3HD1 LEU 45 -0.926 -1.569 -6.054 365 HD21 LEU 45 3HD2 LEU 45 -3.841 -0.567 -8.183 366 HD22 LEU 45 1HD2 LEU 45 -2.270 -1.137 -8.793 367 HD23 LEU 45 2HD2 LEU 45 -3.042 -1.959 -7.415 368 H LYS 46 H LYS 46 -3.297 1.942 -3.416 369 HA LYS 46 HA LYS 46 -5.393 0.724 -1.892 370 HB2 LYS 46 2HB LYS 46 -3.050 1.569 -1.195 371 HB3 LYS 46 3HB LYS 46 -3.856 3.143 -0.999 372 HG2 LYS 46 2HG LYS 46 -5.541 1.819 0.484 373 HG3 LYS 46 3HG LYS 46 -4.256 0.590 0.555 374 HD2 LYS 46 2HD LYS 46 -3.935 1.966 2.463 375 HD3 LYS 46 3HD LYS 46 -2.690 2.456 1.289 376 HE2 LYS 46 2HE LYS 46 -4.103 4.342 0.582 377 HE3 LYS 46 3HE LYS 46 -5.339 3.856 1.764 378 HZ1 LYS 46 3HZ LYS 46 -2.591 4.707 2.412 379 HZ2 LYS 46 1HZ LYS 46 -3.949 5.622 2.608 380 HZ3 LYS 46 2HZ LYS 46 -3.738 4.256 3.509 381 H ASP 47 H ASP 47 -5.141 3.860 -3.439 382 HA ASP 47 HA ASP 47 -6.910 5.376 -1.882 383 HB2 ASP 47 2HB ASP 47 -5.544 6.083 -4.052 384 HB3 ASP 47 3HB ASP 47 -6.973 5.345 -4.818 385 H GLU 48 H GLU 48 -7.703 3.025 -4.417 386 HA GLU 48 HA GLU 48 -10.544 3.515 -4.372 387 HB2 GLU 48 2HB GLU 48 -8.895 1.106 -5.138 388 HB3 GLU 48 3HB GLU 48 -10.661 1.207 -5.336 389 HG2 GLU 48 2HG GLU 48 -10.350 3.133 -6.942 390 HG3 GLU 48 3HG GLU 48 -8.618 3.016 -6.557 391 H ILE 49 H ILE 49 -8.430 1.410 -2.479 392 HA ILE 49 HA ILE 49 -10.688 0.062 -1.163 393 HB ILE 49 HB ILE 49 -7.726 0.151 -0.422 394 HG12 ILE 49 2HG1 ILE 49 -8.063 -0.719 -2.645 395 HG13 ILE 49 3HG1 ILE 49 -7.504 -1.964 -1.503 396 HG21 ILE 49 1HG2 ILE 49 -8.250 -1.893 0.866 397 HG22 ILE 49 2HG2 ILE 49 -9.207 -0.508 1.444 398 HG23 ILE 49 3HG2 ILE 49 -9.963 -1.742 0.409 399 HD11 ILE 49 3HD1 ILE 49 -10.359 -1.597 -2.476 400 HD12 ILE 49 1HD1 ILE 49 -9.228 -2.857 -3.019 401 HD13 ILE 49 2HD1 ILE 49 -9.801 -2.841 -1.334 402 H LEU 50 H LEU 50 -8.437 2.660 -0.317 403 HA LEU 50 HA LEU 50 -9.407 2.958 2.376 404 HB2 LEU 50 2HB LEU 50 -7.358 3.736 1.610 405 HB3 LEU 50 3HB LEU 50 -8.025 4.967 0.514 406 HG LEU 50 HG LEU 50 -9.110 6.021 2.554 407 HD11 LEU 50 1HD1 LEU 50 -8.066 5.466 4.766 408 HD12 LEU 50 2HD1 LEU 50 -8.894 4.054 4.070 409 HD13 LEU 50 3HD1 LEU 50 -7.121 4.180 3.980 410 HD21 LEU 50 3HD2 LEU 50 -7.154 6.985 1.497 411 HD22 LEU 50 1HD2 LEU 50 -7.044 7.176 3.263 412 HD23 LEU 50 2HD2 LEU 50 -6.083 5.922 2.441 413 H LYS 51 H LYS 51 -10.482 4.253 -0.716 414 HA LYS 51 HA LYS 51 -12.570 5.854 0.693 415 HB2 LYS 51 2HB LYS 51 -11.714 5.724 -2.202 416 HB3 LYS 51 3HB LYS 51 -13.038 6.732 -1.570 417 HG2 LYS 51 2HG LYS 51 -11.422 7.950 -0.154 418 HG3 LYS 51 3HG LYS 51 -10.103 6.958 -0.821 419 HD2 LYS 51 2HD LYS 51 -10.570 7.818 -3.068 420 HD3 LYS 51 3HD LYS 51 -11.922 8.782 -2.429 421 HE2 LYS 51 2HE LYS 51 -10.375 10.059 -1.030 422 HE3 LYS 51 3HE LYS 51 -9.014 9.071 -1.611 423 HZ1 LYS 51 3HZ LYS 51 -10.689 10.832 -3.283 424 HZ2 LYS 51 1HZ LYS 51 -9.155 11.165 -2.779 425 HZ3 LYS 51 2HZ LYS 51 -9.427 9.916 -3.822 426 H ALA 52 H ALA 52 -12.370 2.791 0.182 427 HA ALA 52 HA ALA 52 -14.579 2.161 -1.542 428 HB1 ALA 52 3HB ALA 52 -13.384 0.583 0.763 429 HB2 ALA 52 1HB ALA 52 -14.492 -0.058 -0.472 430 HB3 ALA 52 2HB ALA 52 -12.870 0.507 -0.938 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 17.992 -3.966 -0.100 2 H2 GLY 1 2H GLY 1 18.830 -4.296 -1.300 3 H3 GLY 1 3H GLY 1 19.219 -3.158 -0.403 4 HA2 GLY 1 2HA GLY 1 17.585 -2.944 -2.716 5 HA3 GLY 1 3HA GLY 1 16.591 -2.553 -1.293 6 H THR 2 H THR 2 16.859 -0.594 -3.079 7 HA THR 2 HA THR 2 19.135 1.144 -2.332 8 HB THR 2 HB THR 2 18.287 2.686 -3.986 9 HG1 THR 2 HG1 THR 2 16.249 2.027 -5.089 10 HG21 THR 2 3HG2 THR 2 17.947 -0.170 -4.985 11 HG22 THR 2 1HG2 THR 2 18.227 1.262 -6.004 12 HG23 THR 2 2HG2 THR 2 19.486 0.715 -4.870 13 H ILE 3 H ILE 3 18.656 3.465 -1.863 14 HA ILE 3 HA ILE 3 17.145 3.672 0.589 15 HB ILE 3 HB ILE 3 18.239 5.788 -1.318 16 HG12 ILE 3 2HG1 ILE 3 19.204 4.954 1.402 17 HG13 ILE 3 3HG1 ILE 3 19.831 4.301 -0.129 18 HG21 ILE 3 1HG2 ILE 3 17.830 7.396 0.513 19 HG22 ILE 3 2HG2 ILE 3 16.308 6.674 -0.055 20 HG23 ILE 3 3HG2 ILE 3 17.046 6.115 1.465 21 HD11 ILE 3 3HD1 ILE 3 19.911 7.215 0.725 22 HD12 ILE 3 1HD1 ILE 3 21.287 6.089 0.736 23 HD13 ILE 3 2HD1 ILE 3 20.537 6.563 -0.806 24 H ASP 4 H ASP 4 16.360 4.543 -2.750 25 HA ASP 4 HA ASP 4 13.786 5.674 -2.119 26 HB2 ASP 4 2HB ASP 4 14.835 4.402 -4.718 27 HB3 ASP 4 3HB ASP 4 13.243 5.125 -4.380 28 H GLU 5 H GLU 5 14.849 2.373 -2.855 29 HA GLU 5 HA GLU 5 12.173 1.254 -2.794 30 HB2 GLU 5 2HB GLU 5 14.923 0.059 -2.439 31 HB3 GLU 5 3HB GLU 5 13.418 -0.893 -2.438 32 HG2 GLU 5 2HG GLU 5 12.985 -0.231 -4.814 33 HG3 GLU 5 3HG GLU 5 14.370 0.873 -4.651 34 H TRP 6 H TRP 6 14.598 1.966 -0.358 35 HA TRP 6 HA TRP 6 13.297 0.536 1.794 36 HB2 TRP 6 2HB TRP 6 15.217 2.902 1.758 37 HB3 TRP 6 3HB TRP 6 14.649 2.107 3.246 38 HD1 TRP 6 HD1 TRP 6 14.834 -0.708 1.511 39 HE1 TRP 6 HE1 TRP 6 17.253 -1.914 1.518 40 HE3 TRP 6 HE3 TRP 6 17.648 3.302 2.864 41 HZ2 TRP 6 HZ2 TRP 6 19.846 -1.116 2.040 42 HZ3 TRP 6 HZ3 TRP 6 20.043 3.078 3.111 43 HH2 TRP 6 HH2 TRP 6 21.182 0.936 2.718 44 H LEU 7 H LEU 7 13.081 3.890 0.621 45 HA LEU 7 HA LEU 7 11.104 4.722 2.536 46 HB2 LEU 7 2HB LEU 7 11.627 5.515 -0.255 47 HB3 LEU 7 3HB LEU 7 10.627 6.535 0.806 48 HG LEU 7 HG LEU 7 13.534 5.870 1.374 49 HD11 LEU 7 1HD1 LEU 7 14.061 8.172 0.526 50 HD12 LEU 7 2HD1 LEU 7 13.372 7.151 -0.759 51 HD13 LEU 7 3HD1 LEU 7 12.358 8.368 0.051 52 HD21 LEU 7 3HD2 LEU 7 12.224 6.521 3.308 53 HD22 LEU 7 1HD2 LEU 7 13.386 7.806 2.901 54 HD23 LEU 7 2HD2 LEU 7 11.667 7.990 2.471 55 H LEU 8 H LEU 8 10.806 3.361 -0.740 56 HA LEU 8 HA LEU 8 7.934 3.383 -0.777 57 HB2 LEU 8 2HB LEU 8 8.961 3.197 -2.718 58 HB3 LEU 8 3HB LEU 8 10.075 1.866 -2.323 59 HG LEU 8 HG LEU 8 8.157 0.309 -2.220 60 HD11 LEU 8 1HD1 LEU 8 5.932 1.069 -3.095 61 HD12 LEU 8 2HD1 LEU 8 6.397 1.974 -1.635 62 HD13 LEU 8 3HD1 LEU 8 6.572 2.722 -3.240 63 HD21 LEU 8 3HD2 LEU 8 9.412 0.512 -4.286 64 HD22 LEU 8 1HD2 LEU 8 7.694 0.220 -4.645 65 HD23 LEU 8 2HD2 LEU 8 8.373 1.857 -4.817 66 H LYS 9 H LYS 9 10.281 0.943 0.298 67 HA LYS 9 HA LYS 9 8.443 -1.085 1.044 68 HB2 LYS 9 2HB LYS 9 10.877 -1.335 1.059 69 HB3 LYS 9 3HB LYS 9 10.979 -0.206 2.431 70 HG2 LYS 9 2HG LYS 9 9.583 -1.810 3.764 71 HG3 LYS 9 3HG LYS 9 9.701 -2.958 2.410 72 HD2 LYS 9 2HD LYS 9 11.366 -3.429 4.178 73 HD3 LYS 9 3HD LYS 9 12.127 -3.018 2.623 74 HE2 LYS 9 2HE LYS 9 12.385 -0.672 3.433 75 HE3 LYS 9 3HE LYS 9 11.759 -1.190 5.015 76 HZ1 LYS 9 3HZ LYS 9 14.200 -2.219 3.716 77 HZ2 LYS 9 1HZ LYS 9 14.161 -1.156 4.975 78 HZ3 LYS 9 2HZ LYS 9 13.621 -2.701 5.183 79 H GLU 10 H GLU 10 9.403 1.862 2.762 80 HA GLU 10 HA GLU 10 7.709 1.274 5.069 81 HB2 GLU 10 2HB GLU 10 9.029 3.792 4.053 82 HB3 GLU 10 3HB GLU 10 8.074 3.701 5.553 83 HG2 GLU 10 2HG GLU 10 9.746 2.057 6.495 84 HG3 GLU 10 3HG GLU 10 10.536 2.135 4.903 85 H ALA 11 H ALA 11 7.332 3.012 2.024 86 HA ALA 11 HA ALA 11 4.827 4.239 2.644 87 HB1 ALA 11 3HB ALA 11 5.915 3.294 -0.030 88 HB2 ALA 11 1HB ALA 11 4.544 4.404 0.202 89 HB3 ALA 11 2HB ALA 11 6.180 4.892 0.704 90 H LYS 12 H LYS 12 5.652 1.033 1.379 91 HA LYS 12 HA LYS 12 2.945 0.244 0.783 92 HB2 LYS 12 2HB LYS 12 5.412 -1.364 1.462 93 HB3 LYS 12 3HB LYS 12 3.872 -2.056 0.900 94 HG2 LYS 12 2HG LYS 12 4.118 -1.189 -1.258 95 HG3 LYS 12 3HG LYS 12 5.298 0.036 -0.733 96 HD2 LYS 12 2HD LYS 12 6.984 -1.676 -0.370 97 HD3 LYS 12 3HD LYS 12 5.807 -2.956 -0.749 98 HE2 LYS 12 2HE LYS 12 5.560 -1.977 -3.032 99 HE3 LYS 12 3HE LYS 12 6.854 -0.824 -2.636 100 HZ1 LYS 12 3HZ LYS 12 7.130 -3.761 -2.682 101 HZ2 LYS 12 1HZ LYS 12 7.695 -2.727 -3.835 102 HZ3 LYS 12 2HZ LYS 12 8.331 -2.692 -2.313 103 H GLU 13 H GLU 13 4.996 -0.212 3.659 104 HA GLU 13 HA GLU 13 2.977 -1.743 5.079 105 HB2 GLU 13 2HB GLU 13 5.446 -0.255 5.978 106 HB3 GLU 13 3HB GLU 13 4.413 -1.220 7.059 107 HG2 GLU 13 2HG GLU 13 4.979 -3.287 5.721 108 HG3 GLU 13 3HG GLU 13 5.868 -2.194 4.637 109 H LYS 14 H LYS 14 3.920 1.682 5.049 110 HA LYS 14 HA LYS 14 2.371 2.338 7.404 111 HB2 LYS 14 2HB LYS 14 3.609 3.959 5.185 112 HB3 LYS 14 3HB LYS 14 2.667 4.696 6.503 113 HG2 LYS 14 2HG LYS 14 4.247 3.797 8.152 114 HG3 LYS 14 3HG LYS 14 5.183 3.030 6.847 115 HD2 LYS 14 2HD LYS 14 6.226 5.136 7.569 116 HD3 LYS 14 3HD LYS 14 5.669 5.230 5.882 117 HE2 LYS 14 2HE LYS 14 3.584 6.341 6.696 118 HE3 LYS 14 3HE LYS 14 4.284 6.361 8.331 119 HZ1 LYS 14 3HZ LYS 14 5.428 7.689 5.958 120 HZ2 LYS 14 1HZ LYS 14 4.630 8.445 7.189 121 HZ3 LYS 14 2HZ LYS 14 6.079 7.709 7.474 122 H ALA 15 H ALA 15 1.667 2.303 3.951 123 HA ALA 15 HA ALA 15 -0.571 4.101 4.130 124 HB1 ALA 15 3HB ALA 15 0.119 2.034 2.014 125 HB2 ALA 15 1HB ALA 15 -1.077 3.339 1.842 126 HB3 ALA 15 2HB ALA 15 0.647 3.733 2.032 127 H ILE 16 H ILE 16 -0.266 0.574 4.265 128 HA ILE 16 HA ILE 16 -3.155 0.150 3.972 129 HB ILE 16 HB ILE 16 -0.990 -1.786 4.915 130 HG12 ILE 16 2HG1 ILE 16 -0.236 -1.137 2.852 131 HG13 ILE 16 3HG1 ILE 16 -1.160 -2.624 2.542 132 HG21 ILE 16 1HG2 ILE 16 -2.593 -3.510 4.160 133 HG22 ILE 16 2HG2 ILE 16 -3.306 -2.484 5.427 134 HG23 ILE 16 3HG2 ILE 16 -3.757 -2.238 3.724 135 HD11 ILE 16 3HD1 ILE 16 -2.145 0.212 2.072 136 HD12 ILE 16 1HD1 ILE 16 -1.604 -0.925 0.815 137 HD13 ILE 16 2HD1 ILE 16 -3.070 -1.277 1.762 138 H GLU 17 H GLU 17 -1.000 0.719 6.614 139 HA GLU 17 HA GLU 17 -2.398 -0.384 8.777 140 HB2 GLU 17 2HB GLU 17 -1.019 2.282 8.475 141 HB3 GLU 17 3HB GLU 17 -1.667 1.683 10.022 142 HG2 GLU 17 2HG GLU 17 0.578 0.341 8.395 143 HG3 GLU 17 3HG GLU 17 0.677 1.336 9.867 144 H GLU 18 H GLU 18 -3.217 2.493 6.889 145 HA GLU 18 HA GLU 18 -5.483 3.268 8.495 146 HB2 GLU 18 2HB GLU 18 -4.851 3.647 5.565 147 HB3 GLU 18 3HB GLU 18 -6.234 4.391 6.405 148 HG2 GLU 18 2HG GLU 18 -4.648 5.691 7.861 149 HG3 GLU 18 3HG GLU 18 -3.348 4.753 7.092 150 H LEU 19 H LEU 19 -5.122 1.053 5.746 151 HA LEU 19 HA LEU 19 -7.924 0.457 5.492 152 HB2 LEU 19 2HB LEU 19 -5.370 -0.561 4.674 153 HB3 LEU 19 3HB LEU 19 -6.599 -1.847 4.642 154 HG LEU 19 HG LEU 19 -7.897 -0.711 3.009 155 HD11 LEU 19 1HD1 LEU 19 -7.339 1.604 2.221 156 HD12 LEU 19 2HD1 LEU 19 -7.689 1.582 3.965 157 HD13 LEU 19 3HD1 LEU 19 -6.004 1.665 3.396 158 HD21 LEU 19 3HD2 LEU 19 -5.960 -1.847 2.095 159 HD22 LEU 19 1HD2 LEU 19 -6.324 -0.397 1.130 160 HD23 LEU 19 2HD2 LEU 19 -4.971 -0.380 2.288 161 H LYS 20 H LYS 20 -5.341 -0.969 7.457 162 HA LYS 20 HA LYS 20 -6.902 -3.082 8.595 163 HB2 LYS 20 2HB LYS 20 -4.658 -1.447 9.790 164 HB3 LYS 20 3HB LYS 20 -5.305 -2.964 10.459 165 HG2 LYS 20 2HG LYS 20 -4.616 -4.130 8.366 166 HG3 LYS 20 3HG LYS 20 -3.873 -2.613 7.804 167 HD2 LYS 20 2HD LYS 20 -2.439 -2.621 9.852 168 HD3 LYS 20 3HD LYS 20 -3.115 -4.212 10.272 169 HE2 LYS 20 2HE LYS 20 -2.230 -5.180 8.236 170 HE3 LYS 20 3HE LYS 20 -1.670 -3.586 7.680 171 HZ1 LYS 20 3HZ LYS 20 -0.679 -5.017 10.063 172 HZ2 LYS 20 1HZ LYS 20 0.120 -4.879 8.626 173 HZ3 LYS 20 2HZ LYS 20 -0.159 -3.539 9.548 174 H LYS 21 H LYS 21 -6.521 0.323 9.537 175 HA LYS 21 HA LYS 21 -8.324 0.136 11.798 176 HB2 LYS 21 2HB LYS 21 -7.415 2.433 10.063 177 HB3 LYS 21 3HB LYS 21 -8.491 2.618 11.468 178 HG2 LYS 21 2HG LYS 21 -6.750 1.763 12.951 179 HG3 LYS 21 3HG LYS 21 -5.678 1.478 11.560 180 HD2 LYS 21 2HD LYS 21 -5.714 3.907 11.063 181 HD3 LYS 21 3HD LYS 21 -6.729 4.168 12.502 182 HE2 LYS 21 2HE LYS 21 -4.962 3.302 13.941 183 HE3 LYS 21 3HE LYS 21 -3.953 2.945 12.521 184 HZ1 LYS 21 3HZ LYS 21 -4.830 5.631 13.367 185 HZ2 LYS 21 1HZ LYS 21 -3.315 5.009 13.567 186 HZ3 LYS 21 2HZ LYS 21 -3.894 5.300 12.050 187 H ALA 22 H ALA 22 -8.774 0.380 8.362 188 HA ALA 22 HA ALA 22 -11.520 1.395 8.641 189 HB1 ALA 22 3HB ALA 22 -9.965 0.477 6.198 190 HB2 ALA 22 1HB ALA 22 -11.560 1.265 6.181 191 HB3 ALA 22 2HB ALA 22 -10.134 2.155 6.764 192 H GLY 23 H GLY 23 -10.042 -1.586 8.928 193 HA2 GLY 23 2HA GLY 23 -11.200 -3.558 9.521 194 HA3 GLY 23 3HA GLY 23 -12.688 -2.890 8.811 195 H ILE 24 H ILE 24 -9.840 -2.593 6.905 196 HA ILE 24 HA ILE 24 -10.874 -4.600 4.973 197 HB ILE 24 HB ILE 24 -8.482 -2.710 4.801 198 HG12 ILE 24 2HG1 ILE 24 -10.546 -1.493 4.992 199 HG13 ILE 24 3HG1 ILE 24 -9.824 -1.337 3.374 200 HG21 ILE 24 1HG2 ILE 24 -8.571 -3.228 2.385 201 HG22 ILE 24 2HG2 ILE 24 -8.291 -4.699 3.345 202 HG23 ILE 24 3HG2 ILE 24 -9.906 -4.366 2.678 203 HD11 ILE 24 3HD1 ILE 24 -12.159 -3.135 4.113 204 HD12 ILE 24 1HD1 ILE 24 -12.270 -1.593 3.235 205 HD13 ILE 24 2HD1 ILE 24 -11.436 -2.979 2.494 206 H THR 25 H THR 25 -10.195 -6.530 4.648 207 HA THR 25 HA THR 25 -7.645 -7.343 6.006 208 HB THR 25 HB THR 25 -8.670 -9.529 6.470 209 HG1 THR 25 HG1 THR 25 -10.955 -9.748 6.092 210 HG21 THR 25 3HG2 THR 25 -10.391 -7.219 7.456 211 HG22 THR 25 1HG2 THR 25 -10.285 -8.831 8.203 212 HG23 THR 25 2HG2 THR 25 -8.863 -7.761 8.187 213 H SER 26 H SER 26 -9.295 -7.037 3.108 214 HA SER 26 HA SER 26 -8.709 -9.401 1.625 215 HB2 SER 26 2HB SER 26 -10.175 -7.749 0.867 216 HB3 SER 26 3HB SER 26 -8.830 -6.601 0.681 217 HG SER 26 HG SER 26 -9.146 -9.082 -0.658 218 H ASP 27 H ASP 27 -6.708 -10.330 1.773 219 HA ASP 27 HA ASP 27 -4.236 -8.785 1.644 220 HB2 ASP 27 2HB ASP 27 -4.769 -11.802 1.341 221 HB3 ASP 27 3HB ASP 27 -3.232 -10.910 1.211 222 H TYR 28 H TYR 28 -6.475 -10.009 -0.676 223 HA TYR 28 HA TYR 28 -4.813 -10.308 -2.951 224 HB2 TYR 28 2HB TYR 28 -7.157 -10.901 -2.953 225 HB3 TYR 28 3HB TYR 28 -7.613 -9.197 -2.706 226 HD1 TYR 28 HD1 TYR 28 -6.071 -11.563 -5.130 227 HD2 TYR 28 HD2 TYR 28 -7.805 -7.711 -4.553 228 HE1 TYR 28 HE1 TYR 28 -6.127 -11.229 -7.585 229 HE2 TYR 28 HE2 TYR 28 -7.867 -7.361 -6.999 230 HH TYR 28 HH TYR 28 -7.403 -8.238 -9.049 231 H TYR 29 H TYR 29 -6.514 -7.351 -1.871 232 HA TYR 29 HA TYR 29 -5.192 -5.729 -3.900 233 HB2 TYR 29 2HB TYR 29 -6.768 -5.007 -1.423 234 HB3 TYR 29 3HB TYR 29 -6.187 -3.843 -2.637 235 HD1 TYR 29 HD2 TYR 29 -6.931 -4.365 -5.116 236 HD2 TYR 29 HD1 TYR 29 -8.924 -5.866 -1.658 237 HE1 TYR 29 HE2 TYR 29 -8.969 -4.736 -6.464 238 HE2 TYR 29 HE1 TYR 29 -10.975 -6.244 -2.994 239 HH TYR 29 HH TYR 29 -11.953 -6.089 -5.038 240 H PHE 30 H PHE 30 -4.555 -6.546 -0.546 241 HA PHE 30 HA PHE 30 -2.457 -4.635 -0.095 242 HB2 PHE 30 2HB PHE 30 -2.870 -7.445 1.017 243 HB3 PHE 30 3HB PHE 30 -1.680 -6.272 1.625 244 HD1 PHE 30 HD2 PHE 30 -4.603 -4.605 0.561 245 HD2 PHE 30 HD1 PHE 30 -2.970 -6.914 3.763 246 HE1 PHE 30 HE2 PHE 30 -6.302 -3.673 2.096 247 HE2 PHE 30 HE1 PHE 30 -4.670 -5.987 5.301 248 HZ PHE 30 HZ PHE 30 -6.336 -4.366 4.467 249 H ASP 31 H ASP 31 -2.587 -7.603 -1.932 250 HA ASP 31 HA ASP 31 0.283 -7.882 -2.254 251 HB2 ASP 31 2HB ASP 31 -1.574 -9.690 -2.764 252 HB3 ASP 31 3HB ASP 31 -1.825 -8.622 -4.166 253 H LEU 32 H LEU 32 -2.195 -5.973 -3.849 254 HA LEU 32 HA LEU 32 -0.754 -5.563 -6.303 255 HB2 LEU 32 2HB LEU 32 -3.009 -4.479 -4.869 256 HB3 LEU 32 3HB LEU 32 -2.416 -3.363 -6.119 257 HG LEU 32 HG LEU 32 -2.694 -5.190 -7.805 258 HD11 LEU 32 1HD1 LEU 32 -4.117 -7.155 -7.168 259 HD12 LEU 32 2HD1 LEU 32 -2.612 -7.114 -6.222 260 HD13 LEU 32 3HD1 LEU 32 -4.139 -6.574 -5.487 261 HD21 LEU 32 3HD2 LEU 32 -4.383 -3.466 -7.566 262 HD22 LEU 32 1HD2 LEU 32 -5.155 -5.024 -7.948 263 HD23 LEU 32 2HD2 LEU 32 -5.192 -4.397 -6.282 264 H ILE 33 H ILE 33 -0.789 -3.839 -3.227 265 HA ILE 33 HA ILE 33 0.851 -1.621 -4.186 266 HB ILE 33 HB ILE 33 1.169 -1.125 -1.782 267 HG12 ILE 33 2HG1 ILE 33 -0.570 -3.347 -0.927 268 HG13 ILE 33 3HG1 ILE 33 1.095 -3.761 -1.397 269 HG21 ILE 33 1HG2 ILE 33 -1.201 -0.808 -1.156 270 HG22 ILE 33 2HG2 ILE 33 -0.929 -0.392 -2.864 271 HG23 ILE 33 3HG2 ILE 33 -1.692 -1.941 -2.437 272 HD11 ILE 33 3HD1 ILE 33 0.295 -1.717 0.706 273 HD12 ILE 33 1HD1 ILE 33 0.930 -3.347 1.027 274 HD13 ILE 33 2HD1 ILE 33 1.961 -2.131 0.235 275 H ASN 34 H ASN 34 1.521 -4.858 -3.201 276 HA ASN 34 HA ASN 34 4.394 -4.381 -2.869 277 HB2 ASN 34 2HB ASN 34 2.965 -7.118 -3.262 278 HB3 ASN 34 3HB ASN 34 4.646 -6.557 -3.095 279 HD21 ASN 34 1HD2 ASN 34 2.787 -8.252 -1.424 280 HD22 ASN 34 2HD2 ASN 34 2.901 -7.570 0.164 281 H LYS 35 H LYS 35 2.263 -5.442 -5.508 282 HA LYS 35 HA LYS 35 4.363 -5.575 -7.488 283 HB2 LYS 35 2HB LYS 35 1.401 -5.029 -7.645 284 HB3 LYS 35 3HB LYS 35 2.460 -5.114 -9.073 285 HG2 LYS 35 2HG LYS 35 3.042 -7.438 -8.503 286 HG3 LYS 35 3HG LYS 35 1.981 -7.354 -7.076 287 HD2 LYS 35 2HD LYS 35 0.040 -6.960 -8.531 288 HD3 LYS 35 3HD LYS 35 1.095 -7.015 -9.963 289 HE2 LYS 35 2HE LYS 35 1.704 -9.335 -9.428 290 HE3 LYS 35 3HE LYS 35 0.648 -9.282 -7.997 291 HZ1 LYS 35 3HZ LYS 35 -0.239 -8.984 -10.795 292 HZ2 LYS 35 1HZ LYS 35 -0.436 -10.332 -9.864 293 HZ3 LYS 35 2HZ LYS 35 -1.219 -8.935 -9.468 294 H ALA 36 H ALA 36 2.892 -2.960 -5.818 295 HA ALA 36 HA ALA 36 3.233 -0.989 -7.917 296 HB1 ALA 36 3HB ALA 36 2.864 -0.648 -4.921 297 HB2 ALA 36 1HB ALA 36 2.741 0.644 -6.137 298 HB3 ALA 36 2HB ALA 36 1.568 -0.695 -6.139 299 H LYS 37 H LYS 37 5.450 -1.662 -8.469 300 HA LYS 37 HA LYS 37 7.654 -1.239 -6.687 301 HB2 LYS 37 2HB LYS 37 7.614 -2.478 -8.896 302 HB3 LYS 37 3HB LYS 37 7.679 -0.882 -9.680 303 HG2 LYS 37 2HG LYS 37 9.831 -0.412 -8.680 304 HG3 LYS 37 3HG LYS 37 9.750 -1.904 -7.711 305 HD2 LYS 37 2HD LYS 37 9.710 -3.221 -9.832 306 HD3 LYS 37 3HD LYS 37 9.932 -1.704 -10.736 307 HE2 LYS 37 2HE LYS 37 12.061 -1.313 -9.608 308 HE3 LYS 37 3HE LYS 37 11.834 -2.782 -8.632 309 HZ1 LYS 37 3HZ LYS 37 12.122 -2.701 -11.567 310 HZ2 LYS 37 1HZ LYS 37 13.289 -3.173 -10.501 311 HZ3 LYS 37 2HZ LYS 37 11.912 -4.065 -10.662 312 H THR 38 H THR 38 5.500 1.000 -7.968 313 HA THR 38 HA THR 38 7.449 3.186 -7.315 314 HB THR 38 HB THR 38 5.994 4.715 -8.502 315 HG1 THR 38 HG1 THR 38 4.294 2.505 -9.111 316 HG21 THR 38 3HG2 THR 38 6.368 2.166 -10.125 317 HG22 THR 38 1HG2 THR 38 6.100 3.794 -10.792 318 HG23 THR 38 2HG2 THR 38 7.591 3.436 -9.887 319 H VAL 39 H VAL 39 6.869 4.843 -5.936 320 HA VAL 39 HA VAL 39 5.167 4.112 -3.690 321 HB VAL 39 HB VAL 39 6.377 6.778 -4.535 322 HG11 VAL 39 1HG1 VAL 39 5.849 7.508 -2.233 323 HG12 VAL 39 2HG1 VAL 39 4.369 7.095 -3.129 324 HG13 VAL 39 3HG1 VAL 39 5.030 5.958 -1.928 325 HG21 VAL 39 3HG2 VAL 39 8.043 5.104 -3.995 326 HG22 VAL 39 1HG2 VAL 39 7.973 6.358 -2.734 327 HG23 VAL 39 2HG2 VAL 39 7.230 4.766 -2.447 328 H GLU 40 H GLU 40 4.681 6.100 -6.567 329 HA GLU 40 HA GLU 40 2.143 7.175 -5.734 330 HB2 GLU 40 2HB GLU 40 3.358 6.668 -8.452 331 HB3 GLU 40 3HB GLU 40 1.799 7.488 -8.197 332 HG2 GLU 40 2HG GLU 40 2.993 9.323 -6.934 333 HG3 GLU 40 3HG GLU 40 4.461 8.342 -7.142 334 H GLY 41 H GLY 41 3.059 4.178 -7.360 335 HA2 GLY 41 2HA GLY 41 0.461 3.294 -8.076 336 HA3 GLY 41 3HA GLY 41 1.845 2.242 -7.701 337 H VAL 42 H VAL 42 2.321 2.846 -5.055 338 HA VAL 42 HA VAL 42 0.436 1.102 -3.758 339 HB VAL 42 HB VAL 42 2.456 3.067 -2.600 340 HG11 VAL 42 1HG1 VAL 42 2.194 1.780 -0.505 341 HG12 VAL 42 2HG1 VAL 42 0.662 2.550 -0.979 342 HG13 VAL 42 3HG1 VAL 42 0.909 0.810 -1.262 343 HG21 VAL 42 3HG2 VAL 42 3.476 1.331 -3.948 344 HG22 VAL 42 1HG2 VAL 42 3.820 1.076 -2.221 345 HG23 VAL 42 2HG2 VAL 42 2.593 0.081 -3.039 346 H ASN 43 H ASN 43 0.691 4.638 -3.778 347 HA ASN 43 HA ASN 43 -1.569 4.966 -1.970 348 HB2 ASN 43 2HB ASN 43 0.310 6.858 -2.481 349 HB3 ASN 43 3HB ASN 43 -0.633 6.744 -3.987 350 HD21 ASN 43 1HD2 ASN 43 -1.755 8.526 -4.155 351 HD22 ASN 43 2HD2 ASN 43 -2.753 9.223 -2.924 352 H ALA 44 H ALA 44 -1.155 5.024 -5.495 353 HA ALA 44 HA ALA 44 -3.835 5.879 -6.051 354 HB1 ALA 44 3HB ALA 44 -1.899 4.289 -7.769 355 HB2 ALA 44 1HB ALA 44 -3.375 5.098 -8.343 356 HB3 ALA 44 2HB ALA 44 -2.026 6.063 -7.697 357 H LEU 45 H LEU 45 -2.341 2.643 -5.924 358 HA LEU 45 HA LEU 45 -4.718 1.187 -6.583 359 HB2 LEU 45 2HB LEU 45 -2.416 0.547 -4.856 360 HB3 LEU 45 3HB LEU 45 -3.500 -0.741 -5.430 361 HG LEU 45 HG LEU 45 -2.059 1.025 -7.402 362 HD11 LEU 45 1HD1 LEU 45 -0.189 -0.645 -7.464 363 HD12 LEU 45 2HD1 LEU 45 -0.298 0.143 -5.873 364 HD13 LEU 45 3HD1 LEU 45 -0.932 -1.506 -6.095 365 HD21 LEU 45 3HD2 LEU 45 -3.824 -0.423 -8.217 366 HD22 LEU 45 1HD2 LEU 45 -2.248 -0.981 -8.831 367 HD23 LEU 45 2HD2 LEU 45 -3.037 -1.843 -7.486 368 H LYS 46 H LYS 46 -3.312 1.961 -3.390 369 HA LYS 46 HA LYS 46 -5.414 0.727 -1.886 370 HB2 LYS 46 2HB LYS 46 -3.075 1.570 -1.171 371 HB3 LYS 46 3HB LYS 46 -3.886 3.141 -0.964 372 HG2 LYS 46 2HG LYS 46 -5.581 1.767 0.487 373 HG3 LYS 46 3HG LYS 46 -4.259 0.579 0.575 374 HD2 LYS 46 2HD LYS 46 -4.021 1.972 2.490 375 HD3 LYS 46 3HD LYS 46 -2.760 2.478 1.341 376 HE2 LYS 46 2HE LYS 46 -4.205 4.328 0.584 377 HE3 LYS 46 3HE LYS 46 -5.445 3.830 1.758 378 HZ1 LYS 46 3HZ LYS 46 -2.719 4.744 2.425 379 HZ2 LYS 46 1HZ LYS 46 -4.098 5.634 2.596 380 HZ3 LYS 46 2HZ LYS 46 -3.869 4.282 3.516 381 H ASP 47 H ASP 47 -5.156 3.880 -3.399 382 HA ASP 47 HA ASP 47 -6.941 5.379 -1.848 383 HB2 ASP 47 2HB ASP 47 -5.570 6.121 -3.991 384 HB3 ASP 47 3HB ASP 47 -6.964 5.351 -4.787 385 H GLU 48 H GLU 48 -7.719 3.059 -4.417 386 HA GLU 48 HA GLU 48 -10.562 3.522 -4.359 387 HB2 GLU 48 2HB GLU 48 -8.894 1.136 -5.159 388 HB3 GLU 48 3HB GLU 48 -10.662 1.225 -5.352 389 HG2 GLU 48 2HG GLU 48 -10.372 3.172 -6.936 390 HG3 GLU 48 3HG GLU 48 -8.639 3.068 -6.553 391 H ILE 49 H ILE 49 -8.434 1.374 -2.521 392 HA ILE 49 HA ILE 49 -10.675 -0.023 -1.240 393 HB ILE 49 HB ILE 49 -7.717 0.101 -0.489 394 HG12 ILE 49 2HG1 ILE 49 -8.029 -0.749 -2.714 395 HG13 ILE 49 3HG1 ILE 49 -7.477 -2.010 -1.587 396 HG21 ILE 49 1HG2 ILE 49 -8.209 -1.963 0.778 397 HG22 ILE 49 2HG2 ILE 49 -9.184 -0.601 1.374 398 HG23 ILE 49 3HG2 ILE 49 -9.925 -1.832 0.325 399 HD11 ILE 49 3HD1 ILE 49 -10.324 -1.632 -2.578 400 HD12 ILE 49 1HD1 ILE 49 -9.188 -2.882 -3.129 401 HD13 ILE 49 2HD1 ILE 49 -9.774 -2.892 -1.449 402 H LEU 50 H LEU 50 -8.515 2.628 -0.346 403 HA LEU 50 HA LEU 50 -9.489 2.848 2.354 404 HB2 LEU 50 2HB LEU 50 -7.471 3.711 1.608 405 HB3 LEU 50 3HB LEU 50 -8.177 4.927 0.519 406 HG LEU 50 HG LEU 50 -9.307 5.928 2.558 407 HD11 LEU 50 1HD1 LEU 50 -8.265 5.386 4.776 408 HD12 LEU 50 2HD1 LEU 50 -9.043 3.956 4.059 409 HD13 LEU 50 3HD1 LEU 50 -7.273 4.137 3.986 410 HD21 LEU 50 3HD2 LEU 50 -7.371 6.962 1.528 411 HD22 LEU 50 1HD2 LEU 50 -7.283 7.140 3.296 412 HD23 LEU 50 2HD2 LEU 50 -6.276 5.924 2.473 413 H LYS 51 H LYS 51 -10.563 4.238 -0.711 414 HA LYS 51 HA LYS 51 -12.632 5.856 0.612 415 HB2 LYS 51 2HB LYS 51 -12.034 5.193 -2.273 416 HB3 LYS 51 3HB LYS 51 -13.389 6.219 -1.747 417 HG2 LYS 51 2HG LYS 51 -11.813 7.818 -0.758 418 HG3 LYS 51 3HG LYS 51 -10.448 6.784 -1.242 419 HD2 LYS 51 2HD LYS 51 -10.993 7.097 -3.594 420 HD3 LYS 51 3HD LYS 51 -12.441 8.037 -3.160 421 HE2 LYS 51 2HE LYS 51 -11.039 9.751 -2.120 422 HE3 LYS 51 3HE LYS 51 -9.581 8.805 -2.502 423 HZ1 LYS 51 3HZ LYS 51 -11.443 9.960 -4.478 424 HZ2 LYS 51 1HZ LYS 51 -9.952 10.556 -4.104 425 HZ3 LYS 51 2HZ LYS 51 -10.092 9.083 -4.834 426 H ALA 52 H ALA 52 -12.320 2.635 -0.579 427 HA ALA 52 HA ALA 52 -15.109 2.130 -1.063 428 HB1 ALA 52 3HB ALA 52 -12.886 0.227 -0.249 429 HB2 ALA 52 1HB ALA 52 -14.479 -0.246 -0.881 430 HB3 ALA 52 2HB ALA 52 -13.344 0.655 -1.915 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 21.177 4.194 -8.736 2 H2 GLY 1 2H GLY 1 22.123 3.199 -8.132 3 H3 GLY 1 3H GLY 1 20.795 3.460 -7.485 4 HA2 GLY 1 2HA GLY 1 23.220 4.801 -6.863 5 HA3 GLY 1 3HA GLY 1 22.098 5.981 -7.579 6 H THR 2 H THR 2 19.680 5.335 -6.639 7 HA THR 2 HA THR 2 19.991 5.748 -3.696 8 HB THR 2 HB THR 2 17.584 6.504 -3.840 9 HG1 THR 2 HG1 THR 2 18.106 6.331 -6.649 10 HG21 THR 2 3HG2 THR 2 19.563 7.979 -5.622 11 HG22 THR 2 1HG2 THR 2 18.105 8.681 -4.884 12 HG23 THR 2 2HG2 THR 2 19.447 8.128 -3.853 13 H ILE 3 H ILE 3 18.915 4.577 -2.179 14 HA ILE 3 HA ILE 3 17.419 2.165 -3.149 15 HB ILE 3 HB ILE 3 18.340 2.905 -0.334 16 HG12 ILE 3 2HG1 ILE 3 19.496 0.876 -2.227 17 HG13 ILE 3 3HG1 ILE 3 20.182 2.484 -1.899 18 HG21 ILE 3 1HG2 ILE 3 17.761 0.559 0.186 19 HG22 ILE 3 2HG2 ILE 3 16.340 1.453 -0.401 20 HG23 ILE 3 3HG2 ILE 3 17.192 0.328 -1.483 21 HD11 ILE 3 3HD1 ILE 3 19.793 0.267 0.141 22 HD12 ILE 3 1HD1 ILE 3 21.339 0.741 -0.599 23 HD13 ILE 3 2HD1 ILE 3 20.478 1.876 0.470 24 H ASP 4 H ASP 4 15.705 3.471 -3.946 25 HA ASP 4 HA ASP 4 13.994 4.814 -1.976 26 HB2 ASP 4 2HB ASP 4 13.508 4.065 -4.922 27 HB3 ASP 4 3HB ASP 4 12.402 4.825 -3.752 28 H GLU 5 H GLU 5 14.618 1.607 -2.709 29 HA GLU 5 HA GLU 5 11.956 0.514 -2.345 30 HB2 GLU 5 2HB GLU 5 14.726 -0.634 -1.988 31 HB3 GLU 5 3HB GLU 5 13.225 -1.572 -1.786 32 HG2 GLU 5 2HG GLU 5 12.662 -1.085 -4.228 33 HG3 GLU 5 3HG GLU 5 14.186 -0.170 -4.245 34 H TRP 6 H TRP 6 14.422 1.683 -0.182 35 HA TRP 6 HA TRP 6 13.464 0.315 2.185 36 HB2 TRP 6 2HB TRP 6 15.743 1.249 2.080 37 HB3 TRP 6 3HB TRP 6 15.076 2.888 1.893 38 HD1 TRP 6 HD1 TRP 6 15.428 0.119 4.360 39 HE1 TRP 6 HE1 TRP 6 15.217 1.124 6.860 40 HE3 TRP 6 HE3 TRP 6 14.129 4.875 3.129 41 HZ2 TRP 6 HZ2 TRP 6 14.587 3.587 7.942 42 HZ3 TRP 6 HZ3 TRP 6 13.731 6.513 4.863 43 HH2 TRP 6 HH2 TRP 6 13.943 5.944 7.244 44 H LEU 7 H LEU 7 13.032 3.677 1.040 45 HA LEU 7 HA LEU 7 11.098 4.310 3.095 46 HB2 LEU 7 2HB LEU 7 10.621 6.182 1.863 47 HB3 LEU 7 3HB LEU 7 12.396 6.095 1.918 48 HG LEU 7 HG LEU 7 11.882 4.823 -0.442 49 HD11 LEU 7 1HD1 LEU 7 10.210 6.227 -1.678 50 HD12 LEU 7 2HD1 LEU 7 9.453 5.370 -0.315 51 HD13 LEU 7 3HD1 LEU 7 9.850 7.099 -0.169 52 HD21 LEU 7 3HD2 LEU 7 13.553 6.541 -0.080 53 HD22 LEU 7 1HD2 LEU 7 12.604 6.917 -1.538 54 HD23 LEU 7 2HD2 LEU 7 12.293 7.797 -0.023 55 H LEU 8 H LEU 8 10.849 3.040 -0.187 56 HA LEU 8 HA LEU 8 7.983 3.209 -0.372 57 HB2 LEU 8 2HB LEU 8 9.157 2.930 -2.242 58 HB3 LEU 8 3HB LEU 8 10.097 1.499 -1.760 59 HG LEU 8 HG LEU 8 8.010 0.158 -1.762 60 HD11 LEU 8 1HD1 LEU 8 5.959 1.133 -2.830 61 HD12 LEU 8 2HD1 LEU 8 6.408 2.025 -1.357 62 HD13 LEU 8 3HD1 LEU 8 6.792 2.701 -2.959 63 HD21 LEU 8 3HD2 LEU 8 9.437 0.158 -3.722 64 HD22 LEU 8 1HD2 LEU 8 7.730 0.047 -4.214 65 HD23 LEU 8 2HD2 LEU 8 8.602 1.592 -4.365 66 H LYS 9 H LYS 9 10.156 0.682 0.860 67 HA LYS 9 HA LYS 9 8.188 -1.254 1.513 68 HB2 LYS 9 2HB LYS 9 10.621 -1.592 1.648 69 HB3 LYS 9 3HB LYS 9 10.679 -0.500 3.052 70 HG2 LYS 9 2HG LYS 9 9.392 -2.033 4.388 71 HG3 LYS 9 3HG LYS 9 9.064 -3.068 2.977 72 HD2 LYS 9 2HD LYS 9 11.771 -2.561 4.261 73 HD3 LYS 9 3HD LYS 9 10.812 -4.057 4.375 74 HE2 LYS 9 2HE LYS 9 11.046 -4.467 2.017 75 HE3 LYS 9 3HE LYS 9 11.802 -2.878 1.765 76 HZ1 LYS 9 3HZ LYS 9 12.955 -5.096 3.331 77 HZ2 LYS 9 1HZ LYS 9 13.431 -4.640 1.820 78 HZ3 LYS 9 2HZ LYS 9 13.658 -3.622 3.098 79 H GLU 10 H GLU 10 9.240 1.618 3.317 80 HA GLU 10 HA GLU 10 7.416 1.127 5.535 81 HB2 GLU 10 2HB GLU 10 8.863 3.592 4.560 82 HB3 GLU 10 3HB GLU 10 7.861 3.534 6.030 83 HG2 GLU 10 2HG GLU 10 9.447 1.814 7.006 84 HG3 GLU 10 3HG GLU 10 10.296 1.902 5.446 85 H ALA 11 H ALA 11 7.229 2.892 2.482 86 HA ALA 11 HA ALA 11 4.697 4.125 2.976 87 HB1 ALA 11 3HB ALA 11 5.929 3.200 0.358 88 HB2 ALA 11 1HB ALA 11 4.549 4.309 0.523 89 HB3 ALA 11 2HB ALA 11 6.154 4.793 1.119 90 H LYS 12 H LYS 12 5.592 0.929 1.741 91 HA LYS 12 HA LYS 12 2.912 0.132 1.026 92 HB2 LYS 12 2HB LYS 12 5.378 -1.444 1.773 93 HB3 LYS 12 3HB LYS 12 3.857 -2.173 1.207 94 HG2 LYS 12 2HG LYS 12 4.105 -1.319 -0.961 95 HG3 LYS 12 3HG LYS 12 5.275 -0.083 -0.441 96 HD2 LYS 12 2HD LYS 12 6.973 -1.767 -0.066 97 HD3 LYS 12 3HD LYS 12 5.806 -3.071 -0.394 98 HE2 LYS 12 2HE LYS 12 5.531 -2.180 -2.704 99 HE3 LYS 12 3HE LYS 12 6.802 -0.985 -2.358 100 HZ1 LYS 12 3HZ LYS 12 7.144 -3.915 -2.306 101 HZ2 LYS 12 1HZ LYS 12 7.676 -2.908 -3.499 102 HZ3 LYS 12 2HZ LYS 12 8.323 -2.807 -1.985 103 H GLU 13 H GLU 13 4.823 -0.212 3.999 104 HA GLU 13 HA GLU 13 2.812 -1.733 5.414 105 HB2 GLU 13 2HB GLU 13 5.086 0.029 6.333 106 HB3 GLU 13 3HB GLU 13 4.042 -0.901 7.435 107 HG2 GLU 13 2HG GLU 13 4.862 -3.042 6.411 108 HG3 GLU 13 3HG GLU 13 5.705 -2.024 5.220 109 H LYS 14 H LYS 14 3.531 1.745 5.217 110 HA LYS 14 HA LYS 14 1.553 2.500 7.183 111 HB2 LYS 14 2HB LYS 14 2.992 3.966 4.980 112 HB3 LYS 14 3HB LYS 14 1.769 4.749 6.008 113 HG2 LYS 14 2HG LYS 14 3.152 4.090 8.008 114 HG3 LYS 14 3HG LYS 14 4.413 3.542 6.879 115 HD2 LYS 14 2HD LYS 14 4.817 5.841 7.741 116 HD3 LYS 14 3HD LYS 14 4.646 5.776 5.971 117 HE2 LYS 14 2HE LYS 14 3.363 7.637 6.618 118 HE3 LYS 14 3HE LYS 14 2.179 6.337 6.349 119 HZ1 LYS 14 3HZ LYS 14 3.234 7.180 8.973 120 HZ2 LYS 14 1HZ LYS 14 1.736 7.538 8.381 121 HZ3 LYS 14 2HZ LYS 14 2.136 5.975 8.724 122 H ALA 15 H ALA 15 1.420 1.892 3.730 123 HA ALA 15 HA ALA 15 -1.025 3.318 3.255 124 HB1 ALA 15 3HB ALA 15 0.206 0.991 1.740 125 HB2 ALA 15 1HB ALA 15 -1.100 2.042 1.147 126 HB3 ALA 15 2HB ALA 15 0.519 2.718 1.446 127 H ILE 16 H ILE 16 -0.333 -0.083 4.028 128 HA ILE 16 HA ILE 16 -3.174 -0.834 3.877 129 HB ILE 16 HB ILE 16 -0.790 -2.337 5.054 130 HG12 ILE 16 2HG1 ILE 16 -0.197 -2.084 2.871 131 HG13 ILE 16 3HG1 ILE 16 -1.035 -3.653 2.896 132 HG21 ILE 16 1HG2 ILE 16 -2.235 -4.323 4.769 133 HG22 ILE 16 2HG2 ILE 16 -2.986 -3.136 5.860 134 HG23 ILE 16 3HG2 ILE 16 -3.550 -3.281 4.179 135 HD11 ILE 16 3HD1 ILE 16 -2.231 -1.014 1.981 136 HD12 ILE 16 1HD1 ILE 16 -1.683 -2.331 0.920 137 HD13 ILE 16 2HD1 ILE 16 -3.069 -2.584 2.007 138 H GLU 17 H GLU 17 -0.938 0.157 6.384 139 HA GLU 17 HA GLU 17 -2.369 -0.690 8.664 140 HB2 GLU 17 2HB GLU 17 -0.152 0.361 8.694 141 HB3 GLU 17 3HB GLU 17 -0.894 1.914 8.236 142 HG2 GLU 17 2HG GLU 17 -2.144 1.939 10.433 143 HG3 GLU 17 3HG GLU 17 -1.438 0.331 10.713 144 H GLU 18 H GLU 18 -2.890 2.189 6.648 145 HA GLU 18 HA GLU 18 -5.108 3.180 8.225 146 HB2 GLU 18 2HB GLU 18 -4.362 3.583 5.324 147 HB3 GLU 18 3HB GLU 18 -5.639 4.473 6.188 148 HG2 GLU 18 2HG GLU 18 -2.624 4.614 6.797 149 HG3 GLU 18 3HG GLU 18 -3.692 5.792 6.003 150 H LEU 19 H LEU 19 -4.850 0.980 5.463 151 HA LEU 19 HA LEU 19 -7.688 0.705 5.053 152 HB2 LEU 19 2HB LEU 19 -5.229 -0.663 4.395 153 HB3 LEU 19 3HB LEU 19 -6.662 -1.694 4.172 154 HG LEU 19 HG LEU 19 -7.564 -0.243 2.508 155 HD11 LEU 19 1HD1 LEU 19 -6.466 1.928 1.894 156 HD12 LEU 19 2HD1 LEU 19 -6.973 1.919 3.599 157 HD13 LEU 19 3HD1 LEU 19 -5.263 1.665 3.178 158 HD21 LEU 19 3HD2 LEU 19 -5.828 -1.732 1.700 159 HD22 LEU 19 1HD2 LEU 19 -5.792 -0.205 0.786 160 HD23 LEU 19 2HD2 LEU 19 -4.579 -0.514 2.052 161 H LYS 20 H LYS 20 -5.393 -0.938 7.181 162 HA LYS 20 HA LYS 20 -7.251 -2.855 8.245 163 HB2 LYS 20 2HB LYS 20 -4.884 -1.465 9.511 164 HB3 LYS 20 3HB LYS 20 -5.759 -2.848 10.212 165 HG2 LYS 20 2HG LYS 20 -5.138 -4.189 8.192 166 HG3 LYS 20 3HG LYS 20 -4.147 -2.818 7.639 167 HD2 LYS 20 2HD LYS 20 -2.832 -2.956 9.739 168 HD3 LYS 20 3HD LYS 20 -3.791 -4.374 10.224 169 HE2 LYS 20 2HE LYS 20 -3.013 -5.596 8.252 170 HE3 LYS 20 3HE LYS 20 -2.086 -4.174 7.722 171 HZ1 LYS 20 3HZ LYS 20 -1.625 -5.693 10.210 172 HZ2 LYS 20 1HZ LYS 20 -0.695 -5.774 8.850 173 HZ3 LYS 20 2HZ LYS 20 -0.764 -4.374 9.719 174 H LYS 21 H LYS 21 -6.521 0.505 9.143 175 HA LYS 21 HA LYS 21 -8.430 0.630 11.300 176 HB2 LYS 21 2HB LYS 21 -7.307 2.735 9.449 177 HB3 LYS 21 3HB LYS 21 -8.368 3.082 10.834 178 HG2 LYS 21 2HG LYS 21 -6.711 2.199 12.379 179 HG3 LYS 21 3HG LYS 21 -5.667 1.710 11.023 180 HD2 LYS 21 2HD LYS 21 -5.610 4.153 10.338 181 HD3 LYS 21 3HD LYS 21 -6.398 4.521 11.891 182 HE2 LYS 21 2HE LYS 21 -4.549 3.629 13.129 183 HE3 LYS 21 3HE LYS 21 -3.804 2.975 11.652 184 HZ1 LYS 21 3HZ LYS 21 -4.173 5.838 12.263 185 HZ2 LYS 21 1HZ LYS 21 -2.747 5.015 12.354 186 HZ3 LYS 21 2HZ LYS 21 -3.483 5.232 10.893 187 H ALA 22 H ALA 22 -8.740 0.751 7.829 188 HA ALA 22 HA ALA 22 -11.418 1.943 7.953 189 HB1 ALA 22 3HB ALA 22 -9.870 0.740 5.633 190 HB2 ALA 22 1HB ALA 22 -11.403 1.635 5.508 191 HB3 ALA 22 2HB ALA 22 -9.932 2.464 6.072 192 H GLY 23 H GLY 23 -10.150 -1.121 8.449 193 HA2 GLY 23 2HA GLY 23 -11.449 -2.968 9.143 194 HA3 GLY 23 3HA GLY 23 -12.882 -2.239 8.381 195 H ILE 24 H ILE 24 -9.870 -2.416 6.632 196 HA ILE 24 HA ILE 24 -11.125 -4.297 4.690 197 HB ILE 24 HB ILE 24 -8.485 -2.768 4.548 198 HG12 ILE 24 2HG1 ILE 24 -10.340 -1.250 4.670 199 HG13 ILE 24 3HG1 ILE 24 -9.581 -1.244 3.062 200 HG21 ILE 24 1HG2 ILE 24 -8.602 -3.316 2.141 201 HG22 ILE 24 2HG2 ILE 24 -8.565 -4.793 3.131 202 HG23 ILE 24 3HG2 ILE 24 -10.098 -4.237 2.422 203 HD11 ILE 24 3HD1 ILE 24 -12.171 -2.651 3.799 204 HD12 ILE 24 1HD1 ILE 24 -12.036 -1.130 2.887 205 HD13 ILE 24 2HD1 ILE 24 -11.412 -2.645 2.191 206 H THR 25 H THR 25 -10.651 -6.298 4.375 207 HA THR 25 HA THR 25 -8.322 -7.409 5.910 208 HB THR 25 HB THR 25 -9.660 -9.454 6.287 209 HG1 THR 25 HG1 THR 25 -11.934 -9.334 5.811 210 HG21 THR 25 3HG2 THR 25 -11.065 -6.922 7.228 211 HG22 THR 25 1HG2 THR 25 -11.229 -8.537 7.959 212 HG23 THR 25 2HG2 THR 25 -9.665 -7.688 8.015 213 H SER 26 H SER 26 -9.312 -6.708 2.927 214 HA SER 26 HA SER 26 -8.988 -9.253 1.495 215 HB2 SER 26 2HB SER 26 -10.378 -7.635 0.622 216 HB3 SER 26 3HB SER 26 -9.055 -6.448 0.565 217 HG SER 26 HG SER 26 -9.233 -8.889 -0.867 218 H ASP 27 H ASP 27 -7.015 -10.226 1.767 219 HA ASP 27 HA ASP 27 -4.505 -8.738 1.706 220 HB2 ASP 27 2HB ASP 27 -5.085 -11.753 1.474 221 HB3 ASP 27 3HB ASP 27 -3.528 -10.892 1.398 222 H TYR 28 H TYR 28 -6.666 -9.977 -0.675 223 HA TYR 28 HA TYR 28 -4.912 -10.370 -2.868 224 HB2 TYR 28 2HB TYR 28 -7.267 -10.912 -2.962 225 HB3 TYR 28 3HB TYR 28 -7.695 -9.195 -2.769 226 HD1 TYR 28 HD1 TYR 28 -6.069 -11.628 -5.074 227 HD2 TYR 28 HD2 TYR 28 -7.808 -7.758 -4.652 228 HE1 TYR 28 HE1 TYR 28 -6.012 -11.344 -7.534 229 HE2 TYR 28 HE2 TYR 28 -7.759 -7.457 -7.106 230 HH TYR 28 HH TYR 28 -7.207 -8.377 -9.114 231 H TYR 29 H TYR 29 -6.597 -7.353 -1.938 232 HA TYR 29 HA TYR 29 -5.140 -5.804 -3.930 233 HB2 TYR 29 2HB TYR 29 -6.816 -5.005 -1.543 234 HB3 TYR 29 3HB TYR 29 -6.137 -3.869 -2.734 235 HD1 TYR 29 HD2 TYR 29 -6.745 -4.443 -5.255 236 HD2 TYR 29 HD1 TYR 29 -8.996 -5.751 -1.878 237 HE1 TYR 29 HE2 TYR 29 -8.717 -4.768 -6.709 238 HE2 TYR 29 HE1 TYR 29 -10.982 -6.083 -3.320 239 HH TYR 29 HH TYR 29 -11.834 -5.948 -5.422 240 H PHE 30 H PHE 30 -4.638 -6.630 -0.567 241 HA PHE 30 HA PHE 30 -2.570 -4.705 -0.021 242 HB2 PHE 30 2HB PHE 30 -3.066 -7.498 1.095 243 HB3 PHE 30 3HB PHE 30 -1.876 -6.346 1.742 244 HD1 PHE 30 HD2 PHE 30 -4.580 -4.474 0.606 245 HD2 PHE 30 HD1 PHE 30 -3.404 -7.093 3.771 246 HE1 PHE 30 HE2 PHE 30 -6.320 -3.492 2.062 247 HE2 PHE 30 HE1 PHE 30 -5.144 -6.115 5.229 248 HZ PHE 30 HZ PHE 30 -6.602 -4.315 4.375 249 H ASP 31 H ASP 31 -2.600 -7.728 -1.789 250 HA ASP 31 HA ASP 31 0.273 -7.995 -2.000 251 HB2 ASP 31 2HB ASP 31 -1.542 -9.812 -2.582 252 HB3 ASP 31 3HB ASP 31 -1.766 -8.741 -3.987 253 H LEU 32 H LEU 32 -2.120 -6.070 -3.698 254 HA LEU 32 HA LEU 32 -0.613 -5.743 -6.123 255 HB2 LEU 32 2HB LEU 32 -2.887 -4.605 -4.776 256 HB3 LEU 32 3HB LEU 32 -2.237 -3.499 -6.008 257 HG LEU 32 HG LEU 32 -2.483 -5.324 -7.699 258 HD11 LEU 32 1HD1 LEU 32 -3.950 -7.272 -7.106 259 HD12 LEU 32 2HD1 LEU 32 -2.476 -7.248 -6.111 260 HD13 LEU 32 3HD1 LEU 32 -4.021 -6.689 -5.428 261 HD21 LEU 32 3HD2 LEU 32 -4.158 -3.581 -7.517 262 HD22 LEU 32 1HD2 LEU 32 -4.936 -5.130 -7.923 263 HD23 LEU 32 2HD2 LEU 32 -5.021 -4.500 -6.260 264 H ILE 33 H ILE 33 -0.663 -3.962 -3.084 265 HA ILE 33 HA ILE 33 0.975 -1.757 -4.071 266 HB ILE 33 HB ILE 33 1.268 -1.209 -1.679 267 HG12 ILE 33 2HG1 ILE 33 -0.444 -3.439 -0.787 268 HG13 ILE 33 3HG1 ILE 33 1.232 -3.834 -1.237 269 HG21 ILE 33 1HG2 ILE 33 -1.108 -0.911 -1.068 270 HG22 ILE 33 2HG2 ILE 33 -0.835 -0.525 -2.783 271 HG23 ILE 33 3HG2 ILE 33 -1.578 -2.076 -2.326 272 HD11 ILE 33 3HD1 ILE 33 0.384 -1.761 0.817 273 HD12 ILE 33 1HD1 ILE 33 1.043 -3.374 1.176 274 HD13 ILE 33 2HD1 ILE 33 2.059 -2.156 0.367 275 H ASN 34 H ASN 34 1.655 -4.970 -3.009 276 HA ASN 34 HA ASN 34 4.517 -4.473 -2.642 277 HB2 ASN 34 2HB ASN 34 3.109 -7.224 -3.014 278 HB3 ASN 34 3HB ASN 34 4.785 -6.651 -2.827 279 HD21 ASN 34 1HD2 ASN 34 2.909 -8.327 -1.160 280 HD22 ASN 34 2HD2 ASN 34 2.989 -7.619 0.419 281 H LYS 35 H LYS 35 2.454 -5.643 -5.296 282 HA LYS 35 HA LYS 35 4.592 -5.750 -7.237 283 HB2 LYS 35 2HB LYS 35 1.616 -5.309 -7.452 284 HB3 LYS 35 3HB LYS 35 2.699 -5.379 -8.861 285 HG2 LYS 35 2HG LYS 35 3.354 -7.671 -8.246 286 HG3 LYS 35 3HG LYS 35 2.270 -7.602 -6.836 287 HD2 LYS 35 2HD LYS 35 0.340 -7.291 -8.330 288 HD3 LYS 35 3HD LYS 35 1.421 -7.352 -9.742 289 HE2 LYS 35 2HE LYS 35 2.083 -9.639 -9.143 290 HE3 LYS 35 3HE LYS 35 1.013 -9.581 -7.723 291 HZ1 LYS 35 3HZ LYS 35 0.143 -9.379 -10.536 292 HZ2 LYS 35 1HZ LYS 35 -0.023 -10.709 -9.573 293 HZ3 LYS 35 2HZ LYS 35 -0.849 -9.325 -9.220 294 H ALA 36 H ALA 36 2.916 -3.145 -5.706 295 HA ALA 36 HA ALA 36 3.360 -1.221 -7.838 296 HB1 ALA 36 3HB ALA 36 2.694 -0.812 -4.902 297 HB2 ALA 36 1HB ALA 36 2.636 0.438 -6.165 298 HB3 ALA 36 2HB ALA 36 1.523 -0.948 -6.234 299 H LYS 37 H LYS 37 5.647 -1.830 -8.147 300 HA LYS 37 HA LYS 37 7.637 -1.284 -6.156 301 HB2 LYS 37 2HB LYS 37 7.893 -2.623 -8.271 302 HB3 LYS 37 3HB LYS 37 7.945 -1.078 -9.152 303 HG2 LYS 37 2HG LYS 37 9.968 -0.423 -7.995 304 HG3 LYS 37 3HG LYS 37 9.879 -1.857 -6.946 305 HD2 LYS 37 2HD LYS 37 10.098 -3.294 -8.979 306 HD3 LYS 37 3HD LYS 37 10.330 -1.819 -9.948 307 HE2 LYS 37 2HE LYS 37 12.323 -1.254 -8.667 308 HE3 LYS 37 3HE LYS 37 12.075 -2.666 -7.615 309 HZ1 LYS 37 3HZ LYS 37 12.633 -2.763 -10.510 310 HZ2 LYS 37 1HZ LYS 37 13.716 -3.100 -9.313 311 HZ3 LYS 37 2HZ LYS 37 12.402 -4.072 -9.535 312 H THR 38 H THR 38 5.586 0.842 -7.754 313 HA THR 38 HA THR 38 7.430 3.121 -7.144 314 HB THR 38 HB THR 38 5.897 4.530 -8.376 315 HG1 THR 38 HG1 THR 38 4.261 2.233 -8.818 316 HG21 THR 38 3HG2 THR 38 6.323 1.914 -9.873 317 HG22 THR 38 1HG2 THR 38 5.984 3.494 -10.617 318 HG23 THR 38 2HG2 THR 38 7.506 3.234 -9.732 319 H VAL 39 H VAL 39 6.867 4.773 -5.787 320 HA VAL 39 HA VAL 39 5.180 4.096 -3.509 321 HB VAL 39 HB VAL 39 6.398 6.737 -4.421 322 HG11 VAL 39 1HG1 VAL 39 5.887 7.520 -2.132 323 HG12 VAL 39 2HG1 VAL 39 4.399 7.094 -3.010 324 HG13 VAL 39 3HG1 VAL 39 5.062 5.982 -1.789 325 HG21 VAL 39 3HG2 VAL 39 8.059 5.067 -3.851 326 HG22 VAL 39 1HG2 VAL 39 8.002 6.349 -2.619 327 HG23 VAL 39 2HG2 VAL 39 7.253 4.768 -2.294 328 H GLU 40 H GLU 40 4.687 6.025 -6.427 329 HA GLU 40 HA GLU 40 2.161 7.133 -5.600 330 HB2 GLU 40 2HB GLU 40 3.358 6.566 -8.314 331 HB3 GLU 40 3HB GLU 40 1.804 7.401 -8.066 332 HG2 GLU 40 2HG GLU 40 3.018 9.253 -6.847 333 HG3 GLU 40 3HG GLU 40 4.478 8.258 -7.039 334 H GLY 41 H GLY 41 3.044 4.112 -7.214 335 HA2 GLY 41 2HA GLY 41 0.414 3.230 -7.836 336 HA3 GLY 41 3HA GLY 41 1.815 2.180 -7.524 337 H VAL 42 H VAL 42 2.413 2.745 -4.906 338 HA VAL 42 HA VAL 42 0.546 1.029 -3.536 339 HB VAL 42 HB VAL 42 2.695 2.905 -2.465 340 HG11 VAL 42 1HG1 VAL 42 2.505 1.594 -0.378 341 HG12 VAL 42 2HG1 VAL 42 0.977 2.424 -0.755 342 HG13 VAL 42 3HG1 VAL 42 1.146 0.681 -1.074 343 HG21 VAL 42 3HG2 VAL 42 3.576 1.156 -3.893 344 HG22 VAL 42 1HG2 VAL 42 4.008 0.862 -2.193 345 HG23 VAL 42 2HG2 VAL 42 2.702 -0.077 -2.955 346 H ASN 43 H ASN 43 0.947 4.556 -3.483 347 HA ASN 43 HA ASN 43 -1.188 4.936 -1.546 348 HB2 ASN 43 2HB ASN 43 0.725 6.766 -2.163 349 HB3 ASN 43 3HB ASN 43 -0.327 6.711 -3.599 350 HD21 ASN 43 1HD2 ASN 43 -1.395 8.531 -3.662 351 HD22 ASN 43 2HD2 ASN 43 -2.276 9.244 -2.352 352 H ALA 44 H ALA 44 -1.007 4.967 -5.086 353 HA ALA 44 HA ALA 44 -3.679 5.922 -5.490 354 HB1 ALA 44 3HB ALA 44 -1.934 4.197 -7.281 355 HB2 ALA 44 1HB ALA 44 -3.407 5.058 -7.782 356 HB3 ALA 44 2HB ALA 44 -1.977 5.976 -7.257 357 H LEU 45 H LEU 45 -2.321 2.644 -5.247 358 HA LEU 45 HA LEU 45 -4.746 1.257 -5.878 359 HB2 LEU 45 2HB LEU 45 -2.453 0.591 -4.151 360 HB3 LEU 45 3HB LEU 45 -3.595 -0.678 -4.650 361 HG LEU 45 HG LEU 45 -2.140 0.949 -6.727 362 HD11 LEU 45 1HD1 LEU 45 -0.313 -0.771 -6.742 363 HD12 LEU 45 2HD1 LEU 45 -0.370 0.098 -5.191 364 HD13 LEU 45 3HD1 LEU 45 -1.049 -1.542 -5.319 365 HD21 LEU 45 3HD2 LEU 45 -3.957 -0.493 -7.435 366 HD22 LEU 45 1HD2 LEU 45 -2.409 -1.120 -8.051 367 HD23 LEU 45 2HD2 LEU 45 -3.191 -1.894 -6.650 368 H LYS 46 H LYS 46 -3.290 1.914 -2.676 369 HA LYS 46 HA LYS 46 -5.484 0.916 -1.160 370 HB2 LYS 46 2HB LYS 46 -4.562 2.056 0.684 371 HB3 LYS 46 3HB LYS 46 -3.208 1.471 -0.312 372 HG2 LYS 46 2HG LYS 46 -2.581 3.602 -0.965 373 HG3 LYS 46 3HG LYS 46 -4.209 4.272 -0.712 374 HD2 LYS 46 2HD LYS 46 -2.591 3.251 1.617 375 HD3 LYS 46 3HD LYS 46 -2.300 4.881 0.963 376 HE2 LYS 46 2HE LYS 46 -4.790 5.293 1.213 377 HE3 LYS 46 3HE LYS 46 -4.864 3.771 2.129 378 HZ1 LYS 46 3HZ LYS 46 -3.229 6.122 2.840 379 HZ2 LYS 46 1HZ LYS 46 -4.634 5.672 3.579 380 HZ3 LYS 46 2HZ LYS 46 -3.297 4.710 3.691 381 H ASP 47 H ASP 47 -5.045 3.959 -2.823 382 HA ASP 47 HA ASP 47 -6.911 5.554 -1.400 383 HB2 ASP 47 2HB ASP 47 -5.290 6.287 -3.345 384 HB3 ASP 47 3HB ASP 47 -6.558 5.507 -4.322 385 H GLU 48 H GLU 48 -7.455 3.362 -4.156 386 HA GLU 48 HA GLU 48 -10.308 3.812 -4.248 387 HB2 GLU 48 2HB GLU 48 -8.558 1.531 -5.168 388 HB3 GLU 48 3HB GLU 48 -10.312 1.620 -5.458 389 HG2 GLU 48 2HG GLU 48 -9.955 3.721 -6.823 390 HG3 GLU 48 3HG GLU 48 -8.243 3.581 -6.359 391 H ILE 49 H ILE 49 -8.269 1.470 -2.540 392 HA ILE 49 HA ILE 49 -10.542 -0.042 -1.497 393 HB ILE 49 HB ILE 49 -7.629 0.102 -0.590 394 HG12 ILE 49 2HG1 ILE 49 -7.831 -0.689 -2.837 395 HG13 ILE 49 3HG1 ILE 49 -7.351 -1.997 -1.730 396 HG21 ILE 49 1HG2 ILE 49 -8.131 -2.006 0.600 397 HG22 ILE 49 2HG2 ILE 49 -9.142 -0.673 1.205 398 HG23 ILE 49 3HG2 ILE 49 -9.834 -1.884 0.100 399 HD11 ILE 49 3HD1 ILE 49 -10.140 -1.546 -2.847 400 HD12 ILE 49 1HD1 ILE 49 -8.991 -2.791 -3.387 401 HD13 ILE 49 2HD1 ILE 49 -9.661 -2.853 -1.739 402 H LEU 50 H LEU 50 -8.607 2.653 -0.319 403 HA LEU 50 HA LEU 50 -9.734 2.629 2.339 404 HB2 LEU 50 2HB LEU 50 -7.720 3.639 1.761 405 HB3 LEU 50 3HB LEU 50 -8.437 4.899 0.731 406 HG LEU 50 HG LEU 50 -9.714 5.688 2.772 407 HD11 LEU 50 1HD1 LEU 50 -8.771 5.018 4.999 408 HD12 LEU 50 2HD1 LEU 50 -9.441 3.616 4.132 409 HD13 LEU 50 3HD1 LEU 50 -7.682 3.878 4.177 410 HD21 LEU 50 3HD2 LEU 50 -7.774 6.880 1.937 411 HD22 LEU 50 1HD2 LEU 50 -7.793 6.923 3.716 412 HD23 LEU 50 2HD2 LEU 50 -6.687 5.819 2.864 413 H LYS 51 H LYS 51 -10.698 4.159 -0.696 414 HA LYS 51 HA LYS 51 -12.940 5.571 0.571 415 HB2 LYS 51 2HB LYS 51 -12.204 5.039 -2.310 416 HB3 LYS 51 3HB LYS 51 -13.600 6.009 -1.784 417 HG2 LYS 51 2HG LYS 51 -12.130 7.639 -0.741 418 HG3 LYS 51 3HG LYS 51 -10.706 6.642 -1.120 419 HD2 LYS 51 2HD LYS 51 -11.135 6.923 -3.522 420 HD3 LYS 51 3HD LYS 51 -12.576 7.900 -3.155 421 HE2 LYS 51 2HE LYS 51 -11.190 9.580 -2.056 422 HE3 LYS 51 3HE LYS 51 -9.738 8.591 -2.335 423 HZ1 LYS 51 3HZ LYS 51 -11.433 9.780 -4.437 424 HZ2 LYS 51 1HZ LYS 51 -9.953 10.337 -3.969 425 HZ3 LYS 51 2HZ LYS 51 -10.086 8.863 -4.697 426 H ALA 52 H ALA 52 -12.366 2.433 -0.769 427 HA ALA 52 HA ALA 52 -15.083 1.770 -1.402 428 HB1 ALA 52 3HB ALA 52 -12.787 -0.021 -0.537 429 HB2 ALA 52 1HB ALA 52 -14.311 -0.566 -1.275 430 HB3 ALA 52 2HB ALA 52 -13.182 0.445 -2.208 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 23.301 4.943 -2.746 2 H2 GLY 1 2H GLY 1 23.824 3.819 -3.592 3 H3 GLY 1 3H GLY 1 22.574 4.544 -3.996 4 HA2 GLY 1 2HA GLY 1 22.670 2.198 -2.399 5 HA3 GLY 1 3HA GLY 1 22.051 3.530 -1.396 6 H THR 2 H THR 2 20.244 1.766 -1.503 7 HA THR 2 HA THR 2 18.396 2.528 -3.743 8 HB THR 2 HB THR 2 17.319 0.300 -3.426 9 HG1 THR 2 HG1 THR 2 18.517 -1.261 -2.200 10 HG21 THR 2 3HG2 THR 2 20.296 0.177 -4.052 11 HG22 THR 2 1HG2 THR 2 19.082 -1.032 -4.529 12 HG23 THR 2 2HG2 THR 2 19.009 0.614 -5.201 13 H ILE 3 H ILE 3 18.615 4.070 -1.448 14 HA ILE 3 HA ILE 3 16.632 3.354 0.540 15 HB ILE 3 HB ILE 3 16.719 5.737 1.174 16 HG12 ILE 3 2HG1 ILE 3 18.444 6.131 -1.256 17 HG13 ILE 3 3HG1 ILE 3 16.725 6.574 -1.139 18 HG21 ILE 3 1HG2 ILE 3 19.139 5.928 1.634 19 HG22 ILE 3 2HG2 ILE 3 18.561 4.271 1.926 20 HG23 ILE 3 3HG2 ILE 3 19.467 4.648 0.443 21 HD11 ILE 3 3HD1 ILE 3 18.971 7.690 0.577 22 HD12 ILE 3 1HD1 ILE 3 18.176 8.531 -0.773 23 HD13 ILE 3 2HD1 ILE 3 17.252 8.134 0.695 24 H ASP 4 H ASP 4 16.306 4.233 -2.696 25 HA ASP 4 HA ASP 4 13.733 5.562 -2.491 26 HB2 ASP 4 2HB ASP 4 15.084 4.103 -4.842 27 HB3 ASP 4 3HB ASP 4 13.483 4.882 -4.773 28 H GLU 5 H GLU 5 14.778 2.211 -2.606 29 HA GLU 5 HA GLU 5 11.972 1.268 -2.760 30 HB2 GLU 5 2HB GLU 5 14.590 -0.202 -2.413 31 HB3 GLU 5 3HB GLU 5 12.990 -0.961 -2.590 32 HG2 GLU 5 2HG GLU 5 12.838 0.115 -4.923 33 HG3 GLU 5 3HG GLU 5 14.472 0.719 -4.567 34 H TRP 6 H TRP 6 14.406 1.964 -0.383 35 HA TRP 6 HA TRP 6 13.238 0.441 1.780 36 HB2 TRP 6 2HB TRP 6 15.536 1.255 1.957 37 HB3 TRP 6 3HB TRP 6 14.987 2.939 1.785 38 HD1 TRP 6 HD1 TRP 6 14.855 4.125 3.842 39 HE1 TRP 6 HE1 TRP 6 14.529 3.575 6.468 40 HE3 TRP 6 HE3 TRP 6 14.189 -0.900 3.463 41 HZ2 TRP 6 HZ2 TRP 6 14.064 1.296 7.957 42 HZ3 TRP 6 HZ3 TRP 6 13.815 -2.228 5.448 43 HH2 TRP 6 HH2 TRP 6 13.739 -1.210 7.683 44 H LEU 7 H LEU 7 12.932 3.868 0.823 45 HA LEU 7 HA LEU 7 10.958 4.478 2.833 46 HB2 LEU 7 2HB LEU 7 10.540 6.379 1.673 47 HB3 LEU 7 3HB LEU 7 12.314 6.244 1.637 48 HG LEU 7 HG LEU 7 11.697 5.054 -0.720 49 HD11 LEU 7 1HD1 LEU 7 9.940 6.447 -1.847 50 HD12 LEU 7 2HD1 LEU 7 9.264 5.545 -0.471 51 HD13 LEU 7 3HD1 LEU 7 9.630 7.278 -0.305 52 HD21 LEU 7 3HD2 LEU 7 13.347 6.802 -0.396 53 HD22 LEU 7 1HD2 LEU 7 12.323 7.186 -1.801 54 HD23 LEU 7 2HD2 LEU 7 12.064 8.028 -0.253 55 H LEU 8 H LEU 8 10.736 3.264 -0.476 56 HA LEU 8 HA LEU 8 7.859 3.328 -0.623 57 HB2 LEU 8 2HB LEU 8 9.025 3.120 -2.511 58 HB3 LEU 8 3HB LEU 8 10.017 1.714 -2.061 59 HG LEU 8 HG LEU 8 7.974 0.306 -2.058 60 HD11 LEU 8 1HD1 LEU 8 5.881 1.229 -3.087 61 HD12 LEU 8 2HD1 LEU 8 6.318 2.115 -1.607 62 HD13 LEU 8 3HD1 LEU 8 6.660 2.824 -3.204 63 HD21 LEU 8 3HD2 LEU 8 9.377 0.381 -4.035 64 HD22 LEU 8 1HD2 LEU 8 7.668 0.221 -4.508 65 HD23 LEU 8 2HD2 LEU 8 8.488 1.796 -4.647 66 H LYS 9 H LYS 9 10.148 0.839 0.489 67 HA LYS 9 HA LYS 9 8.246 -1.148 1.191 68 HB2 LYS 9 2HB LYS 9 10.708 -1.407 1.207 69 HB3 LYS 9 3HB LYS 9 10.773 -0.389 2.664 70 HG2 LYS 9 2HG LYS 9 9.592 -2.025 3.959 71 HG3 LYS 9 3HG LYS 9 9.217 -2.986 2.509 72 HD2 LYS 9 2HD LYS 9 11.963 -2.510 3.718 73 HD3 LYS 9 3HD LYS 9 11.038 -4.030 3.750 74 HE2 LYS 9 2HE LYS 9 11.198 -4.258 1.361 75 HE3 LYS 9 3HE LYS 9 11.917 -2.640 1.206 76 HZ1 LYS 9 3HZ LYS 9 13.159 -4.946 2.563 77 HZ2 LYS 9 1HZ LYS 9 13.579 -4.369 1.075 78 HZ3 LYS 9 2HZ LYS 9 13.829 -3.445 2.419 79 H GLU 10 H GLU 10 9.323 1.714 2.995 80 HA GLU 10 HA GLU 10 7.598 1.154 5.277 81 HB2 GLU 10 2HB GLU 10 8.957 3.667 4.296 82 HB3 GLU 10 3HB GLU 10 8.034 3.546 5.813 83 HG2 GLU 10 2HG GLU 10 9.703 1.867 6.681 84 HG3 GLU 10 3HG GLU 10 10.449 1.948 5.068 85 H ALA 11 H ALA 11 7.270 2.961 2.263 86 HA ALA 11 HA ALA 11 4.761 4.184 2.899 87 HB1 ALA 11 3HB ALA 11 5.886 3.337 0.207 88 HB2 ALA 11 1HB ALA 11 4.513 4.439 0.461 89 HB3 ALA 11 2HB ALA 11 6.141 4.908 1.004 90 H LYS 12 H LYS 12 5.607 1.021 1.553 91 HA LYS 12 HA LYS 12 2.912 0.239 0.897 92 HB2 LYS 12 2HB LYS 12 5.399 -1.343 1.551 93 HB3 LYS 12 3HB LYS 12 3.861 -2.075 1.033 94 HG2 LYS 12 2HG LYS 12 4.022 -1.178 -1.134 95 HG3 LYS 12 3HG LYS 12 5.232 0.029 -0.641 96 HD2 LYS 12 2HD LYS 12 6.901 -1.718 -0.324 97 HD3 LYS 12 3HD LYS 12 5.694 -2.972 -0.698 98 HE2 LYS 12 2HE LYS 12 5.424 -1.991 -2.961 99 HE3 LYS 12 3HE LYS 12 6.705 -0.817 -2.580 100 HZ1 LYS 12 3HZ LYS 12 7.032 -3.748 -2.652 101 HZ2 LYS 12 1HZ LYS 12 7.558 -2.696 -3.808 102 HZ3 LYS 12 2HZ LYS 12 8.220 -2.660 -2.298 103 H GLU 13 H GLU 13 4.895 -0.184 3.815 104 HA GLU 13 HA GLU 13 2.909 -1.695 5.264 105 HB2 GLU 13 2HB GLU 13 5.203 0.056 6.148 106 HB3 GLU 13 3HB GLU 13 4.181 -0.882 7.263 107 HG2 GLU 13 2HG GLU 13 4.970 -3.015 6.176 108 HG3 GLU 13 3HG GLU 13 5.822 -1.971 5.014 109 H LYS 14 H LYS 14 3.635 1.783 5.087 110 HA LYS 14 HA LYS 14 1.672 2.527 7.073 111 HB2 LYS 14 2HB LYS 14 3.083 4.016 4.865 112 HB3 LYS 14 3HB LYS 14 1.890 4.787 5.938 113 HG2 LYS 14 2HG LYS 14 3.317 4.094 7.890 114 HG3 LYS 14 3HG LYS 14 4.545 3.545 6.725 115 HD2 LYS 14 2HD LYS 14 4.993 5.830 7.605 116 HD3 LYS 14 3HD LYS 14 4.784 5.785 5.839 117 HE2 LYS 14 2HE LYS 14 3.536 7.654 6.531 118 HE3 LYS 14 3HE LYS 14 2.332 6.370 6.274 119 HZ1 LYS 14 3HZ LYS 14 3.451 7.175 8.883 120 HZ2 LYS 14 1HZ LYS 14 1.946 7.555 8.327 121 HZ3 LYS 14 2HZ LYS 14 2.335 5.984 8.646 122 H ALA 15 H ALA 15 1.525 1.970 3.609 123 HA ALA 15 HA ALA 15 -0.946 3.375 3.183 124 HB1 ALA 15 3HB ALA 15 0.311 1.104 1.606 125 HB2 ALA 15 1HB ALA 15 -1.017 2.147 1.048 126 HB3 ALA 15 2HB ALA 15 0.593 2.842 1.348 127 H ILE 16 H ILE 16 -0.196 -0.042 3.842 128 HA ILE 16 HA ILE 16 -3.030 -0.820 3.760 129 HB ILE 16 HB ILE 16 -0.600 -2.315 4.847 130 HG12 ILE 16 2HG1 ILE 16 -0.071 -2.018 2.652 131 HG13 ILE 16 3HG1 ILE 16 -0.889 -3.597 2.673 132 HG21 ILE 16 1HG2 ILE 16 -2.030 -4.312 4.567 133 HG22 ILE 16 2HG2 ILE 16 -2.765 -3.152 5.698 134 HG23 ILE 16 3HG2 ILE 16 -3.374 -3.275 4.031 135 HD11 ILE 16 3HD1 ILE 16 -2.141 -0.959 1.837 136 HD12 ILE 16 1HD1 ILE 16 -1.606 -2.251 0.740 137 HD13 ILE 16 2HD1 ILE 16 -2.959 -2.538 1.859 138 H GLU 17 H GLU 17 -0.731 0.133 6.229 139 HA GLU 17 HA GLU 17 -2.133 -0.733 8.525 140 HB2 GLU 17 2HB GLU 17 0.104 0.282 8.526 141 HB3 GLU 17 3HB GLU 17 -0.624 1.853 8.110 142 HG2 GLU 17 2HG GLU 17 -1.834 1.854 10.332 143 HG3 GLU 17 3HG GLU 17 -1.136 0.236 10.572 144 H GLU 18 H GLU 18 -2.637 2.184 6.562 145 HA GLU 18 HA GLU 18 -4.810 3.197 8.179 146 HB2 GLU 18 2HB GLU 18 -4.129 3.584 5.260 147 HB3 GLU 18 3HB GLU 18 -5.372 4.494 6.154 148 HG2 GLU 18 2HG GLU 18 -2.342 4.595 6.685 149 HG3 GLU 18 3HG GLU 18 -3.416 5.787 5.919 150 H LEU 19 H LEU 19 -4.651 0.998 5.406 151 HA LEU 19 HA LEU 19 -7.502 0.748 5.080 152 HB2 LEU 19 2HB LEU 19 -5.075 -0.640 4.349 153 HB3 LEU 19 3HB LEU 19 -6.521 -1.660 4.169 154 HG LEU 19 HG LEU 19 -7.465 -0.197 2.537 155 HD11 LEU 19 1HD1 LEU 19 -6.360 1.958 1.882 156 HD12 LEU 19 2HD1 LEU 19 -6.809 1.959 3.604 157 HD13 LEU 19 3HD1 LEU 19 -5.117 1.679 3.125 158 HD21 LEU 19 3HD2 LEU 19 -5.779 -1.710 1.674 159 HD22 LEU 19 1HD2 LEU 19 -5.753 -0.186 0.756 160 HD23 LEU 19 2HD2 LEU 19 -4.502 -0.509 1.982 161 H LYS 20 H LYS 20 -5.157 -0.926 7.131 162 HA LYS 20 HA LYS 20 -7.007 -2.826 8.245 163 HB2 LYS 20 2HB LYS 20 -4.569 -1.488 9.430 164 HB3 LYS 20 3HB LYS 20 -5.444 -2.857 10.157 165 HG2 LYS 20 2HG LYS 20 -4.926 -4.198 8.107 166 HG3 LYS 20 3HG LYS 20 -3.929 -2.844 7.525 167 HD2 LYS 20 2HD LYS 20 -2.542 -3.021 9.577 168 HD3 LYS 20 3HD LYS 20 -3.509 -4.426 10.083 169 HE2 LYS 20 2HE LYS 20 -2.824 -5.646 8.079 170 HE3 LYS 20 3HE LYS 20 -1.894 -4.235 7.522 171 HZ1 LYS 20 3HZ LYS 20 -1.363 -5.778 9.980 172 HZ2 LYS 20 1HZ LYS 20 -0.487 -5.865 8.584 173 HZ3 LYS 20 2HZ LYS 20 -0.500 -4.470 9.465 174 H LYS 21 H LYS 21 -6.193 0.518 9.132 175 HA LYS 21 HA LYS 21 -8.018 0.668 11.358 176 HB2 LYS 21 2HB LYS 21 -6.942 2.753 9.457 177 HB3 LYS 21 3HB LYS 21 -7.955 3.120 10.873 178 HG2 LYS 21 2HG LYS 21 -6.259 2.233 12.371 179 HG3 LYS 21 3HG LYS 21 -5.263 1.720 10.987 180 HD2 LYS 21 2HD LYS 21 -5.186 4.148 10.278 181 HD3 LYS 21 3HD LYS 21 -5.945 4.551 11.838 182 HE2 LYS 21 2HE LYS 21 -4.085 3.645 13.058 183 HE3 LYS 21 3HE LYS 21 -3.367 2.981 11.572 184 HZ1 LYS 21 3HZ LYS 21 -3.712 5.847 12.177 185 HZ2 LYS 21 1HZ LYS 21 -2.289 5.017 12.248 186 HZ3 LYS 21 2HZ LYS 21 -3.047 5.233 10.798 187 H ALA 22 H ALA 22 -8.461 0.787 7.900 188 HA ALA 22 HA ALA 22 -11.137 1.972 8.132 189 HB1 ALA 22 3HB ALA 22 -9.676 0.782 5.750 190 HB2 ALA 22 1HB ALA 22 -11.216 1.668 5.688 191 HB3 ALA 22 2HB ALA 22 -9.729 2.503 6.194 192 H GLY 23 H GLY 23 -9.837 -1.087 8.571 193 HA2 GLY 23 2HA GLY 23 -11.092 -2.941 9.315 194 HA3 GLY 23 3HA GLY 23 -12.564 -2.211 8.633 195 H ILE 24 H ILE 24 -9.681 -2.338 6.694 196 HA ILE 24 HA ILE 24 -11.009 -4.249 4.837 197 HB ILE 24 HB ILE 24 -8.392 -2.701 4.559 198 HG12 ILE 24 2HG1 ILE 24 -10.249 -1.197 4.757 199 HG13 ILE 24 3HG1 ILE 24 -9.574 -1.199 3.112 200 HG21 ILE 24 1HG2 ILE 24 -8.616 -3.266 2.163 201 HG22 ILE 24 2HG2 ILE 24 -8.518 -4.736 3.161 202 HG23 ILE 24 3HG2 ILE 24 -10.089 -4.199 2.521 203 HD11 ILE 24 3HD1 ILE 24 -12.109 -2.621 3.994 204 HD12 ILE 24 1HD1 ILE 24 -12.035 -1.108 3.062 205 HD13 ILE 24 2HD1 ILE 24 -11.433 -2.624 2.348 206 H THR 25 H THR 25 -10.523 -6.243 4.480 207 HA THR 25 HA THR 25 -8.143 -7.344 5.943 208 HB THR 25 HB THR 25 -9.466 -9.391 6.371 209 HG1 THR 25 HG1 THR 25 -11.756 -9.271 5.976 210 HG21 THR 25 3HG2 THR 25 -10.837 -6.857 7.355 211 HG22 THR 25 1HG2 THR 25 -10.975 -8.469 8.095 212 HG23 THR 25 2HG2 THR 25 -9.410 -7.620 8.094 213 H SER 26 H SER 26 -9.187 -6.639 2.996 214 HA SER 26 HA SER 26 -8.987 -9.171 1.539 215 HB2 SER 26 2HB SER 26 -10.293 -7.461 0.699 216 HB3 SER 26 3HB SER 26 -8.898 -6.359 0.629 217 HG SER 26 HG SER 26 -9.247 -8.777 -0.810 218 H ASP 27 H ASP 27 -7.069 -10.255 1.781 219 HA ASP 27 HA ASP 27 -4.477 -8.943 1.765 220 HB2 ASP 27 2HB ASP 27 -5.261 -11.889 1.337 221 HB3 ASP 27 3HB ASP 27 -3.647 -11.136 1.300 222 H TYR 28 H TYR 28 -6.664 -10.070 -0.698 223 HA TYR 28 HA TYR 28 -4.871 -10.371 -2.874 224 HB2 TYR 28 2HB TYR 28 -7.201 -10.976 -3.025 225 HB3 TYR 28 3HB TYR 28 -7.688 -9.280 -2.779 226 HD1 TYR 28 HD1 TYR 28 -5.965 -11.583 -5.147 227 HD2 TYR 28 HD2 TYR 28 -7.820 -7.781 -4.614 228 HE1 TYR 28 HE1 TYR 28 -5.891 -11.213 -7.596 229 HE2 TYR 28 HE2 TYR 28 -7.755 -7.394 -7.055 230 HH TYR 28 HH TYR 28 -7.154 -8.229 -9.087 231 H TYR 29 H TYR 29 -6.645 -7.417 -1.905 232 HA TYR 29 HA TYR 29 -5.250 -5.793 -3.871 233 HB2 TYR 29 2HB TYR 29 -6.942 -5.128 -1.458 234 HB3 TYR 29 3HB TYR 29 -6.252 -3.907 -2.557 235 HD1 TYR 29 HD2 TYR 29 -6.769 -4.436 -5.148 236 HD2 TYR 29 HD1 TYR 29 -9.139 -5.758 -1.860 237 HE1 TYR 29 HE2 TYR 29 -8.706 -4.687 -6.661 238 HE2 TYR 29 HE1 TYR 29 -11.092 -6.017 -3.363 239 HH TYR 29 HH TYR 29 -10.900 -5.272 -6.846 240 H PHE 30 H PHE 30 -4.685 -6.643 -0.519 241 HA PHE 30 HA PHE 30 -2.630 -4.687 -0.008 242 HB2 PHE 30 2HB PHE 30 -3.114 -7.466 1.148 243 HB3 PHE 30 3HB PHE 30 -1.907 -6.316 1.763 244 HD1 PHE 30 HD2 PHE 30 -4.617 -4.440 0.647 245 HD2 PHE 30 HD1 PHE 30 -3.403 -7.025 3.825 246 HE1 PHE 30 HE2 PHE 30 -6.326 -3.430 2.120 247 HE2 PHE 30 HE1 PHE 30 -5.113 -6.018 5.299 248 HZ PHE 30 HZ PHE 30 -6.575 -4.220 4.447 249 H ASP 31 H ASP 31 -2.661 -7.731 -1.738 250 HA ASP 31 HA ASP 31 0.226 -7.966 -1.948 251 HB2 ASP 31 2HB ASP 31 -2.048 -9.163 -3.641 252 HB3 ASP 31 3HB ASP 31 -0.288 -9.312 -3.871 253 H LEU 32 H LEU 32 -2.210 -6.125 -3.652 254 HA LEU 32 HA LEU 32 -0.807 -5.930 -6.153 255 HB2 LEU 32 2HB LEU 32 -3.043 -4.783 -4.786 256 HB3 LEU 32 3HB LEU 32 -2.422 -3.646 -6.004 257 HG LEU 32 HG LEU 32 -2.631 -5.510 -7.702 258 HD11 LEU 32 1HD1 LEU 32 -4.192 -7.384 -7.115 259 HD12 LEU 32 2HD1 LEU 32 -2.744 -7.400 -6.081 260 HD13 LEU 32 3HD1 LEU 32 -4.283 -6.766 -5.449 261 HD21 LEU 32 3HD2 LEU 32 -4.237 -3.697 -7.597 262 HD22 LEU 32 1HD2 LEU 32 -5.067 -5.219 -7.996 263 HD23 LEU 32 2HD2 LEU 32 -5.169 -4.555 -6.347 264 H ILE 33 H ILE 33 -0.694 -4.023 -3.197 265 HA ILE 33 HA ILE 33 0.843 -1.835 -4.353 266 HB ILE 33 HB ILE 33 1.334 -1.253 -1.985 267 HG12 ILE 33 2HG1 ILE 33 -0.349 -3.476 -0.996 268 HG13 ILE 33 3HG1 ILE 33 1.322 -3.845 -1.480 269 HG21 ILE 33 1HG2 ILE 33 -0.994 -0.900 -1.234 270 HG22 ILE 33 2HG2 ILE 33 -0.821 -0.545 -2.968 271 HG23 ILE 33 3HG2 ILE 33 -1.563 -2.076 -2.443 272 HD11 ILE 33 3HD1 ILE 33 0.482 -1.762 0.568 273 HD12 ILE 33 1HD1 ILE 33 1.181 -3.357 0.931 274 HD13 ILE 33 2HD1 ILE 33 2.153 -2.130 0.082 275 H ASN 34 H ASN 34 1.649 -5.021 -3.370 276 HA ASN 34 HA ASN 34 4.489 -4.464 -2.950 277 HB2 ASN 34 2HB ASN 34 3.143 -7.236 -3.387 278 HB3 ASN 34 3HB ASN 34 4.807 -6.639 -3.178 279 HD21 ASN 34 1HD2 ASN 34 2.845 -8.335 -1.564 280 HD22 ASN 34 2HD2 ASN 34 2.940 -7.664 0.030 281 H LYS 35 H LYS 35 2.502 -5.594 -5.674 282 HA LYS 35 HA LYS 35 4.680 -5.651 -7.569 283 HB2 LYS 35 2HB LYS 35 2.451 -6.652 -7.936 284 HB3 LYS 35 3HB LYS 35 1.758 -5.014 -8.002 285 HG2 LYS 35 2HG LYS 35 3.059 -4.502 -9.996 286 HG3 LYS 35 3HG LYS 35 3.868 -6.085 -9.905 287 HD2 LYS 35 2HD LYS 35 1.702 -7.212 -10.230 288 HD3 LYS 35 3HD LYS 35 0.894 -5.628 -10.322 289 HE2 LYS 35 2HE LYS 35 2.244 -5.058 -12.298 290 HE3 LYS 35 3HE LYS 35 3.042 -6.645 -12.209 291 HZ1 LYS 35 3HZ LYS 35 0.162 -6.198 -12.663 292 HZ2 LYS 35 1HZ LYS 35 1.257 -6.636 -13.816 293 HZ3 LYS 35 2HZ LYS 35 0.901 -7.670 -12.581 294 H ALA 36 H ALA 36 2.954 -3.079 -6.023 295 HA ALA 36 HA ALA 36 3.360 -1.143 -8.146 296 HB1 ALA 36 3HB ALA 36 2.653 -0.754 -5.217 297 HB2 ALA 36 1HB ALA 36 2.562 0.492 -6.483 298 HB3 ALA 36 2HB ALA 36 1.498 -0.932 -6.560 299 H LYS 37 H LYS 37 5.669 -1.662 -8.438 300 HA LYS 37 HA LYS 37 7.610 -1.087 -6.404 301 HB2 LYS 37 2HB LYS 37 7.914 -2.416 -8.532 302 HB3 LYS 37 3HB LYS 37 7.992 -0.857 -9.387 303 HG2 LYS 37 2HG LYS 37 9.977 -0.218 -8.154 304 HG3 LYS 37 3HG LYS 37 9.859 -1.674 -7.137 305 HD2 LYS 37 2HD LYS 37 10.136 -3.066 -9.198 306 HD3 LYS 37 3HD LYS 37 10.408 -1.568 -10.121 307 HE2 LYS 37 2HE LYS 37 12.357 -1.045 -8.753 308 HE3 LYS 37 3HE LYS 37 12.066 -2.486 -7.752 309 HZ1 LYS 37 3HZ LYS 37 12.726 -2.500 -10.628 310 HZ2 LYS 37 1HZ LYS 37 13.766 -2.877 -9.403 311 HZ3 LYS 37 2HZ LYS 37 12.457 -3.838 -9.700 312 H THR 38 H THR 38 5.541 1.003 -8.011 313 HA THR 38 HA THR 38 7.333 3.313 -7.368 314 HB THR 38 HB THR 38 5.767 4.705 -8.583 315 HG1 THR 38 HG1 THR 38 4.006 3.252 -9.689 316 HG21 THR 38 3HG2 THR 38 6.266 2.122 -10.115 317 HG22 THR 38 1HG2 THR 38 5.889 3.704 -10.838 318 HG23 THR 38 2HG2 THR 38 7.414 3.470 -9.950 319 H VAL 39 H VAL 39 6.738 4.932 -5.987 320 HA VAL 39 HA VAL 39 5.061 4.194 -3.722 321 HB VAL 39 HB VAL 39 6.218 6.872 -4.600 322 HG11 VAL 39 1HG1 VAL 39 5.691 7.614 -2.301 323 HG12 VAL 39 2HG1 VAL 39 4.213 7.165 -3.183 324 HG13 VAL 39 3HG1 VAL 39 4.904 6.052 -1.978 325 HG21 VAL 39 3HG2 VAL 39 7.919 5.235 -4.056 326 HG22 VAL 39 1HG2 VAL 39 7.833 6.500 -2.807 327 HG23 VAL 39 2HG2 VAL 39 7.121 4.896 -2.500 328 H GLU 40 H GLU 40 4.524 6.122 -6.629 329 HA GLU 40 HA GLU 40 1.975 7.175 -5.798 330 HB2 GLU 40 2HB GLU 40 3.179 6.637 -8.513 331 HB3 GLU 40 3HB GLU 40 1.609 7.437 -8.263 332 HG2 GLU 40 2HG GLU 40 2.781 9.314 -7.044 333 HG3 GLU 40 3HG GLU 40 4.265 8.352 -7.239 334 H GLY 41 H GLY 41 2.922 4.178 -7.422 335 HA2 GLY 41 2HA GLY 41 0.310 3.244 -8.044 336 HA3 GLY 41 3HA GLY 41 1.734 2.222 -7.743 337 H VAL 42 H VAL 42 2.326 2.785 -5.123 338 HA VAL 42 HA VAL 42 0.488 1.022 -3.762 339 HB VAL 42 HB VAL 42 2.627 2.905 -2.683 340 HG11 VAL 42 1HG1 VAL 42 2.469 1.560 -0.615 341 HG12 VAL 42 2HG1 VAL 42 0.928 2.377 -0.967 342 HG13 VAL 42 3HG1 VAL 42 1.114 0.642 -1.315 343 HG21 VAL 42 3HG2 VAL 42 3.518 1.189 -4.144 344 HG22 VAL 42 1HG2 VAL 42 3.966 0.873 -2.452 345 HG23 VAL 42 2HG2 VAL 42 2.664 -0.069 -3.219 346 H ASN 43 H ASN 43 0.858 4.552 -3.673 347 HA ASN 43 HA ASN 43 -1.270 4.898 -1.725 348 HB2 ASN 43 2HB ASN 43 0.612 6.756 -2.354 349 HB3 ASN 43 3HB ASN 43 -0.451 6.689 -3.780 350 HD21 ASN 43 1HD2 ASN 43 -1.557 8.486 -3.833 351 HD22 ASN 43 2HD2 ASN 43 -2.433 9.186 -2.513 352 H ALA 44 H ALA 44 -1.118 4.929 -5.266 353 HA ALA 44 HA ALA 44 -3.805 5.849 -5.650 354 HB1 ALA 44 3HB ALA 44 -2.051 4.142 -7.451 355 HB2 ALA 44 1HB ALA 44 -3.541 4.982 -7.942 356 HB3 ALA 44 2HB ALA 44 -2.118 5.920 -7.431 357 H LEU 45 H LEU 45 -2.403 2.582 -5.454 358 HA LEU 45 HA LEU 45 -4.816 1.165 -6.037 359 HB2 LEU 45 2HB LEU 45 -2.497 0.535 -4.331 360 HB3 LEU 45 3HB LEU 45 -3.629 -0.751 -4.811 361 HG LEU 45 HG LEU 45 -2.232 0.879 -6.922 362 HD11 LEU 45 1HD1 LEU 45 -0.362 -0.793 -6.939 363 HD12 LEU 45 2HD1 LEU 45 -0.420 0.095 -5.399 364 HD13 LEU 45 3HD1 LEU 45 -1.057 -1.563 -5.494 365 HD21 LEU 45 3HD2 LEU 45 -4.021 -0.618 -7.584 366 HD22 LEU 45 1HD2 LEU 45 -2.466 -1.214 -8.212 367 HD23 LEU 45 2HD2 LEU 45 -3.207 -1.988 -6.790 368 H LYS 46 H LYS 46 -3.336 1.838 -2.849 369 HA LYS 46 HA LYS 46 -5.500 0.801 -1.317 370 HB2 LYS 46 2HB LYS 46 -4.569 1.933 0.526 371 HB3 LYS 46 3HB LYS 46 -3.219 1.378 -0.493 372 HG2 LYS 46 2HG LYS 46 -2.629 3.523 -1.128 373 HG3 LYS 46 3HG LYS 46 -4.265 4.167 -0.853 374 HD2 LYS 46 2HD LYS 46 -2.668 3.131 1.474 375 HD3 LYS 46 3HD LYS 46 -2.298 4.740 0.810 376 HE2 LYS 46 2HE LYS 46 -4.758 5.280 1.039 377 HE3 LYS 46 3HE LYS 46 -4.931 3.757 1.940 378 HZ1 LYS 46 3HZ LYS 46 -3.183 6.009 2.701 379 HZ2 LYS 46 1HZ LYS 46 -4.624 5.631 3.411 380 HZ3 LYS 46 2HZ LYS 46 -3.344 4.596 3.537 381 H ASP 47 H ASP 47 -5.153 3.832 -3.008 382 HA ASP 47 HA ASP 47 -6.829 5.475 -1.428 383 HB2 ASP 47 2HB ASP 47 -5.376 6.185 -3.492 384 HB3 ASP 47 3HB ASP 47 -6.720 5.416 -4.372 385 H GLU 48 H GLU 48 -7.712 3.338 -4.142 386 HA GLU 48 HA GLU 48 -10.550 3.908 -3.911 387 HB2 GLU 48 2HB GLU 48 -8.990 1.659 -5.182 388 HB3 GLU 48 3HB GLU 48 -10.762 1.807 -5.259 389 HG2 GLU 48 2HG GLU 48 -8.732 3.770 -6.486 390 HG3 GLU 48 3HG GLU 48 -9.802 2.579 -7.261 391 H ILE 49 H ILE 49 -8.384 1.504 -2.506 392 HA ILE 49 HA ILE 49 -10.536 -0.070 -1.312 393 HB ILE 49 HB ILE 49 -7.569 0.128 -0.618 394 HG12 ILE 49 2HG1 ILE 49 -7.928 -0.617 -2.870 395 HG13 ILE 49 3HG1 ILE 49 -7.306 -1.922 -1.832 396 HG21 ILE 49 1HG2 ILE 49 -7.935 -2.017 0.554 397 HG22 ILE 49 2HG2 ILE 49 -8.933 -0.725 1.259 398 HG23 ILE 49 3HG2 ILE 49 -9.671 -1.928 0.176 399 HD11 ILE 49 3HD1 ILE 49 -10.195 -1.572 -2.709 400 HD12 ILE 49 1HD1 ILE 49 -9.044 -2.758 -3.365 401 HD13 ILE 49 2HD1 ILE 49 -9.573 -2.875 -1.670 402 H LEU 50 H LEU 50 -8.575 2.653 -0.248 403 HA LEU 50 HA LEU 50 -9.483 2.594 2.484 404 HB2 LEU 50 2HB LEU 50 -7.578 3.700 1.732 405 HB3 LEU 50 3HB LEU 50 -8.447 4.923 0.776 406 HG LEU 50 HG LEU 50 -9.574 5.641 2.931 407 HD11 LEU 50 1HD1 LEU 50 -8.391 5.026 5.056 408 HD12 LEU 50 2HD1 LEU 50 -9.061 3.588 4.249 409 HD13 LEU 50 3HD1 LEU 50 -7.322 3.947 4.130 410 HD21 LEU 50 3HD2 LEU 50 -7.791 6.939 1.924 411 HD22 LEU 50 1HD2 LEU 50 -7.645 6.981 3.697 412 HD23 LEU 50 2HD2 LEU 50 -6.564 5.939 2.739 413 H LYS 51 H LYS 51 -10.827 3.960 -0.466 414 HA LYS 51 HA LYS 51 -12.901 5.503 0.809 415 HB2 LYS 51 2HB LYS 51 -12.705 4.205 -1.911 416 HB3 LYS 51 3HB LYS 51 -14.045 5.260 -1.400 417 HG2 LYS 51 2HG LYS 51 -12.553 7.145 -1.166 418 HG3 LYS 51 3HG LYS 51 -11.134 6.114 -1.463 419 HD2 LYS 51 2HD LYS 51 -12.017 5.624 -3.740 420 HD3 LYS 51 3HD LYS 51 -13.354 6.758 -3.433 421 HE2 LYS 51 2HE LYS 51 -11.782 8.593 -3.159 422 HE3 LYS 51 3HE LYS 51 -10.408 7.478 -3.349 423 HZ1 LYS 51 3HZ LYS 51 -12.428 8.082 -5.414 424 HZ2 LYS 51 1HZ LYS 51 -10.884 8.662 -5.384 425 HZ3 LYS 51 2HZ LYS 51 -11.154 7.048 -5.592 426 H ALA 52 H ALA 52 -12.522 2.104 0.177 427 HA ALA 52 HA ALA 52 -15.349 1.476 0.400 428 HB1 ALA 52 3HB ALA 52 -12.895 -0.292 0.688 429 HB2 ALA 52 1HB ALA 52 -14.574 -0.859 0.538 430 HB3 ALA 52 2HB ALA 52 -13.804 0.006 -0.813 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 18.363 -3.986 -3.078 2 H2 GLY 1 2H GLY 1 17.038 -3.451 -3.535 3 H3 GLY 1 3H GLY 1 18.286 -2.650 -3.756 4 HA2 GLY 1 2HA GLY 1 16.581 -2.447 -1.494 5 HA3 GLY 1 3HA GLY 1 18.152 -3.081 -0.952 6 H THR 2 H THR 2 16.870 -0.526 -3.124 7 HA THR 2 HA THR 2 19.133 1.243 -2.410 8 HB THR 2 HB THR 2 18.249 2.763 -4.067 9 HG1 THR 2 HG1 THR 2 16.210 2.093 -5.143 10 HG21 THR 2 3HG2 THR 2 17.934 -0.104 -5.043 11 HG22 THR 2 1HG2 THR 2 18.188 1.324 -6.074 12 HG23 THR 2 2HG2 THR 2 19.464 0.800 -4.949 13 H ILE 3 H ILE 3 18.630 3.561 -1.953 14 HA ILE 3 HA ILE 3 17.136 3.774 0.508 15 HB ILE 3 HB ILE 3 18.179 5.884 -1.434 16 HG12 ILE 3 2HG1 ILE 3 19.181 5.098 1.287 17 HG13 ILE 3 3HG1 ILE 3 19.803 4.436 -0.243 18 HG21 ILE 3 1HG2 ILE 3 17.761 7.507 0.382 19 HG22 ILE 3 2HG2 ILE 3 16.245 6.754 -0.162 20 HG23 ILE 3 3HG2 ILE 3 17.005 6.225 1.356 21 HD11 ILE 3 3HD1 ILE 3 19.846 7.362 0.578 22 HD12 ILE 3 1HD1 ILE 3 21.240 6.257 0.589 23 HD13 ILE 3 2HD1 ILE 3 20.468 6.700 -0.952 24 H ASP 4 H ASP 4 16.306 4.590 -2.834 25 HA ASP 4 HA ASP 4 13.722 5.692 -2.190 26 HB2 ASP 4 2HB ASP 4 14.766 4.410 -4.786 27 HB3 ASP 4 3HB ASP 4 13.166 5.112 -4.441 28 H GLU 5 H GLU 5 14.827 2.401 -2.901 29 HA GLU 5 HA GLU 5 12.169 1.241 -2.803 30 HB2 GLU 5 2HB GLU 5 14.940 0.093 -2.461 31 HB3 GLU 5 3HB GLU 5 13.451 -0.882 -2.433 32 HG2 GLU 5 2HG GLU 5 12.983 -0.245 -4.814 33 HG3 GLU 5 3HG GLU 5 14.363 0.868 -4.676 34 H TRP 6 H TRP 6 14.606 2.019 -0.398 35 HA TRP 6 HA TRP 6 13.343 0.593 1.781 36 HB2 TRP 6 2HB TRP 6 15.237 2.979 1.702 37 HB3 TRP 6 3HB TRP 6 14.690 2.196 3.204 38 HD1 TRP 6 HD1 TRP 6 14.888 -0.643 1.523 39 HE1 TRP 6 HE1 TRP 6 17.320 -1.821 1.513 40 HE3 TRP 6 HE3 TRP 6 17.676 3.427 2.747 41 HZ2 TRP 6 HZ2 TRP 6 19.912 -0.983 1.975 42 HZ3 TRP 6 HZ3 TRP 6 20.077 3.234 2.958 43 HH2 TRP 6 HH2 TRP 6 21.234 1.099 2.590 44 H LEU 7 H LEU 7 13.077 3.932 0.576 45 HA LEU 7 HA LEU 7 11.112 4.761 2.504 46 HB2 LEU 7 2HB LEU 7 11.605 5.537 -0.296 47 HB3 LEU 7 3HB LEU 7 10.602 6.555 0.763 48 HG LEU 7 HG LEU 7 13.520 5.924 1.318 49 HD11 LEU 7 1HD1 LEU 7 14.018 8.223 0.445 50 HD12 LEU 7 2HD1 LEU 7 13.333 7.183 -0.826 51 HD13 LEU 7 3HD1 LEU 7 12.310 8.399 -0.023 52 HD21 LEU 7 3HD2 LEU 7 12.213 6.582 3.253 53 HD22 LEU 7 1HD2 LEU 7 13.359 7.875 2.826 54 HD23 LEU 7 2HD2 LEU 7 11.637 8.037 2.405 55 H LEU 8 H LEU 8 10.798 3.371 -0.759 56 HA LEU 8 HA LEU 8 7.925 3.371 -0.770 57 HB2 LEU 8 2HB LEU 8 8.941 3.182 -2.718 58 HB3 LEU 8 3HB LEU 8 10.063 1.858 -2.325 59 HG LEU 8 HG LEU 8 8.154 0.292 -2.200 60 HD11 LEU 8 1HD1 LEU 8 5.918 1.038 -3.059 61 HD12 LEU 8 2HD1 LEU 8 6.390 1.952 -1.608 62 HD13 LEU 8 3HD1 LEU 8 6.549 2.694 -3.218 63 HD21 LEU 8 3HD2 LEU 8 9.390 0.493 -4.277 64 HD22 LEU 8 1HD2 LEU 8 7.670 0.190 -4.621 65 HD23 LEU 8 2HD2 LEU 8 8.341 1.830 -4.806 66 H LYS 9 H LYS 9 10.302 0.959 0.300 67 HA LYS 9 HA LYS 9 8.487 -1.083 1.070 68 HB2 LYS 9 2HB LYS 9 10.924 -1.312 1.069 69 HB3 LYS 9 3HB LYS 9 11.028 -0.172 2.431 70 HG2 LYS 9 2HG LYS 9 9.668 -1.775 3.794 71 HG3 LYS 9 3HG LYS 9 9.762 -2.932 2.445 72 HD2 LYS 9 2HD LYS 9 11.459 -3.390 4.187 73 HD3 LYS 9 3HD LYS 9 12.191 -2.989 2.616 74 HE2 LYS 9 2HE LYS 9 12.459 -0.635 3.407 75 HE3 LYS 9 3HE LYS 9 11.867 -1.147 5.004 76 HZ1 LYS 9 3HZ LYS 9 14.283 -2.177 3.658 77 HZ2 LYS 9 1HZ LYS 9 14.267 -1.108 4.914 78 HZ3 LYS 9 2HZ LYS 9 13.734 -2.653 5.140 79 H GLU 10 H GLU 10 9.435 1.883 2.767 80 HA GLU 10 HA GLU 10 7.762 1.290 5.088 81 HB2 GLU 10 2HB GLU 10 9.058 3.813 4.054 82 HB3 GLU 10 3HB GLU 10 8.112 3.722 5.560 83 HG2 GLU 10 2HG GLU 10 9.803 2.095 6.499 84 HG3 GLU 10 3HG GLU 10 10.580 2.168 4.901 85 H ALA 11 H ALA 11 7.351 3.015 2.041 86 HA ALA 11 HA ALA 11 4.843 4.226 2.672 87 HB1 ALA 11 3HB ALA 11 5.918 3.275 -0.006 88 HB2 ALA 11 1HB ALA 11 4.542 4.378 0.230 89 HB3 ALA 11 2HB ALA 11 6.178 4.880 0.719 90 H LYS 12 H LYS 12 5.681 1.022 1.412 91 HA LYS 12 HA LYS 12 2.975 0.212 0.839 92 HB2 LYS 12 2HB LYS 12 5.456 -1.378 1.502 93 HB3 LYS 12 3HB LYS 12 3.917 -2.081 0.953 94 HG2 LYS 12 2HG LYS 12 4.140 -1.215 -1.208 95 HG3 LYS 12 3HG LYS 12 5.319 0.016 -0.695 96 HD2 LYS 12 2HD LYS 12 7.017 -1.683 -0.350 97 HD3 LYS 12 3HD LYS 12 5.843 -2.974 -0.702 98 HE2 LYS 12 2HE LYS 12 5.558 -2.010 -2.988 99 HE3 LYS 12 3HE LYS 12 6.858 -0.854 -2.618 100 HZ1 LYS 12 3HZ LYS 12 7.132 -3.791 -2.648 101 HZ2 LYS 12 1HZ LYS 12 7.681 -2.765 -3.817 102 HZ3 LYS 12 2HZ LYS 12 8.338 -2.718 -2.304 103 H GLU 13 H GLU 13 5.048 -0.213 3.701 104 HA GLU 13 HA GLU 13 3.059 -1.768 5.138 105 HB2 GLU 13 2HB GLU 13 5.512 -0.242 6.019 106 HB3 GLU 13 3HB GLU 13 4.500 -1.223 7.107 107 HG2 GLU 13 2HG GLU 13 5.093 -3.284 5.782 108 HG3 GLU 13 3HG GLU 13 5.942 -2.184 4.672 109 H LYS 14 H LYS 14 3.946 1.670 5.086 110 HA LYS 14 HA LYS 14 2.407 2.302 7.457 111 HB2 LYS 14 2HB LYS 14 3.620 3.944 5.240 112 HB3 LYS 14 3HB LYS 14 2.681 4.667 6.568 113 HG2 LYS 14 2HG LYS 14 4.280 3.774 8.202 114 HG3 LYS 14 3HG LYS 14 5.211 3.016 6.888 115 HD2 LYS 14 2HD LYS 14 6.247 5.126 7.611 116 HD3 LYS 14 3HD LYS 14 5.680 5.221 5.926 117 HE2 LYS 14 2HE LYS 14 3.590 6.316 6.757 118 HE3 LYS 14 3HE LYS 14 4.305 6.340 8.386 119 HZ1 LYS 14 3HZ LYS 14 5.421 7.676 6.004 120 HZ2 LYS 14 1HZ LYS 14 4.628 8.427 7.241 121 HZ3 LYS 14 2HZ LYS 14 6.083 7.700 7.514 122 H ALA 15 H ALA 15 1.693 2.283 4.004 123 HA ALA 15 HA ALA 15 -0.539 4.086 4.201 124 HB1 ALA 15 3HB ALA 15 0.142 2.035 2.066 125 HB2 ALA 15 1HB ALA 15 -1.049 3.346 1.907 126 HB3 ALA 15 2HB ALA 15 0.677 3.732 2.100 127 H ILE 16 H ILE 16 -0.245 0.559 4.320 128 HA ILE 16 HA ILE 16 -3.133 0.144 3.998 129 HB ILE 16 HB ILE 16 -0.984 -1.806 4.943 130 HG12 ILE 16 2HG1 ILE 16 -0.203 -1.143 2.896 131 HG13 ILE 16 3HG1 ILE 16 -1.134 -2.621 2.559 132 HG21 ILE 16 1HG2 ILE 16 -2.583 -3.518 4.155 133 HG22 ILE 16 2HG2 ILE 16 -3.307 -2.502 5.424 134 HG23 ILE 16 3HG2 ILE 16 -3.739 -2.237 3.718 135 HD11 ILE 16 3HD1 ILE 16 -2.094 0.227 2.110 136 HD12 ILE 16 1HD1 ILE 16 -1.549 -0.899 0.847 137 HD13 ILE 16 2HD1 ILE 16 -3.026 -1.250 1.775 138 H GLU 17 H GLU 17 -0.997 0.683 6.662 139 HA GLU 17 HA GLU 17 -2.420 -0.429 8.805 140 HB2 GLU 17 2HB GLU 17 -1.031 2.236 8.537 141 HB3 GLU 17 3HB GLU 17 -1.688 1.620 10.074 142 HG2 GLU 17 2HG GLU 17 0.563 0.293 8.445 143 HG3 GLU 17 3HG GLU 17 0.657 1.273 9.926 144 H GLU 18 H GLU 18 -3.211 2.464 6.931 145 HA GLU 18 HA GLU 18 -5.490 3.234 8.518 146 HB2 GLU 18 2HB GLU 18 -4.832 3.628 5.596 147 HB3 GLU 18 3HB GLU 18 -6.219 4.370 6.428 148 HG2 GLU 18 2HG GLU 18 -4.641 5.658 7.905 149 HG3 GLU 18 3HG GLU 18 -3.337 4.720 7.140 150 H LEU 19 H LEU 19 -5.103 1.028 5.767 151 HA LEU 19 HA LEU 19 -7.908 0.458 5.469 152 HB2 LEU 19 2HB LEU 19 -5.352 -0.571 4.671 153 HB3 LEU 19 3HB LEU 19 -6.588 -1.847 4.610 154 HG LEU 19 HG LEU 19 -7.862 -0.679 2.977 155 HD11 LEU 19 1HD1 LEU 19 -7.265 1.635 2.215 156 HD12 LEU 19 2HD1 LEU 19 -7.633 1.603 3.954 157 HD13 LEU 19 3HD1 LEU 19 -5.942 1.669 3.403 158 HD21 LEU 19 3HD2 LEU 19 -5.931 -1.834 2.073 159 HD22 LEU 19 1HD2 LEU 19 -6.266 -0.371 1.116 160 HD23 LEU 19 2HD2 LEU 19 -4.925 -0.381 2.288 161 H LYS 20 H LYS 20 -5.361 -1.010 7.450 162 HA LYS 20 HA LYS 20 -6.951 -3.111 8.564 163 HB2 LYS 20 2HB LYS 20 -4.723 -1.485 9.799 164 HB3 LYS 20 3HB LYS 20 -5.387 -3.000 10.456 165 HG2 LYS 20 2HG LYS 20 -4.664 -4.169 8.378 166 HG3 LYS 20 3HG LYS 20 -3.911 -2.655 7.824 167 HD2 LYS 20 2HD LYS 20 -2.503 -2.658 9.886 168 HD3 LYS 20 3HD LYS 20 -3.193 -4.242 10.311 169 HE2 LYS 20 2HE LYS 20 -2.287 -5.232 8.296 170 HE3 LYS 20 3HE LYS 20 -1.709 -3.647 7.735 171 HZ1 LYS 20 3HZ LYS 20 -0.760 -5.063 10.142 172 HZ2 LYS 20 1HZ LYS 20 0.060 -4.941 8.717 173 HZ3 LYS 20 2HZ LYS 20 -0.224 -3.593 9.623 174 H LYS 21 H LYS 21 -6.571 0.291 9.517 175 HA LYS 21 HA LYS 21 -8.426 0.101 11.741 176 HB2 LYS 21 2HB LYS 21 -7.456 2.409 10.053 177 HB3 LYS 21 3HB LYS 21 -8.549 2.586 11.446 178 HG2 LYS 21 2HG LYS 21 -6.840 1.696 12.942 179 HG3 LYS 21 3HG LYS 21 -5.753 1.407 11.563 180 HD2 LYS 21 2HD LYS 21 -5.745 3.841 11.089 181 HD3 LYS 21 3HD LYS 21 -6.775 4.104 12.515 182 HE2 LYS 21 2HE LYS 21 -5.042 3.199 13.971 183 HE3 LYS 21 3HE LYS 21 -4.020 2.835 12.562 184 HZ1 LYS 21 3HZ LYS 21 -4.863 5.530 13.419 185 HZ2 LYS 21 1HZ LYS 21 -3.362 4.881 13.634 186 HZ3 LYS 21 2HZ LYS 21 -3.915 5.194 12.111 187 H ALA 22 H ALA 22 -8.789 0.368 8.298 188 HA ALA 22 HA ALA 22 -11.509 1.463 8.513 189 HB1 ALA 22 3HB ALA 22 -9.921 0.506 6.107 190 HB2 ALA 22 1HB ALA 22 -11.489 1.341 6.051 191 HB3 ALA 22 2HB ALA 22 -10.053 2.187 6.675 192 H GLY 23 H GLY 23 -10.132 -1.564 8.822 193 HA2 GLY 23 2HA GLY 23 -11.382 -3.491 9.393 194 HA3 GLY 23 3HA GLY 23 -12.815 -2.785 8.610 195 H ILE 24 H ILE 24 -9.868 -2.592 6.843 196 HA ILE 24 HA ILE 24 -10.889 -4.595 4.886 197 HB ILE 24 HB ILE 24 -8.498 -2.701 4.735 198 HG12 ILE 24 2HG1 ILE 24 -10.555 -1.476 4.897 199 HG13 ILE 24 3HG1 ILE 24 -9.824 -1.336 3.281 200 HG21 ILE 24 1HG2 ILE 24 -8.562 -3.229 2.321 201 HG22 ILE 24 2HG2 ILE 24 -8.295 -4.697 3.290 202 HG23 ILE 24 3HG2 ILE 24 -9.902 -4.364 2.603 203 HD11 ILE 24 3HD1 ILE 24 -12.169 -3.120 4.024 204 HD12 ILE 24 1HD1 ILE 24 -12.271 -1.585 3.133 205 HD13 ILE 24 2HD1 ILE 24 -11.438 -2.981 2.409 206 H THR 25 H THR 25 -10.180 -6.516 4.564 207 HA THR 25 HA THR 25 -7.603 -7.291 5.891 208 HB THR 25 HB THR 25 -8.603 -9.479 6.432 209 HG1 THR 25 HG1 THR 25 -10.904 -9.694 6.177 210 HG21 THR 25 3HG2 THR 25 -10.260 -7.146 7.468 211 HG22 THR 25 1HG2 THR 25 -10.123 -8.746 8.235 212 HG23 THR 25 2HG2 THR 25 -8.699 -7.684 8.127 213 H SER 26 H SER 26 -9.194 -6.922 3.034 214 HA SER 26 HA SER 26 -8.770 -9.327 1.541 215 HB2 SER 26 2HB SER 26 -10.137 -7.586 0.793 216 HB3 SER 26 3HB SER 26 -8.725 -6.519 0.609 217 HG SER 26 HG SER 26 -9.178 -8.978 -0.733 218 H ASP 27 H ASP 27 -6.831 -10.374 1.658 219 HA ASP 27 HA ASP 27 -4.267 -9.009 1.657 220 HB2 ASP 27 2HB ASP 27 -5.000 -11.950 1.121 221 HB3 ASP 27 3HB ASP 27 -3.403 -11.164 1.086 222 H TYR 28 H TYR 28 -6.474 -10.062 -0.817 223 HA TYR 28 HA TYR 28 -4.709 -10.255 -3.030 224 HB2 TYR 28 2HB TYR 28 -7.042 -10.880 -3.157 225 HB3 TYR 28 3HB TYR 28 -7.536 -9.195 -2.862 226 HD1 TYR 28 HD1 TYR 28 -5.840 -11.433 -5.308 227 HD2 TYR 28 HD2 TYR 28 -7.687 -7.645 -4.657 228 HE1 TYR 28 HE1 TYR 28 -5.798 -11.002 -7.748 229 HE2 TYR 28 HE2 TYR 28 -7.652 -7.198 -7.087 230 HH TYR 28 HH TYR 28 -6.312 -9.551 -9.418 231 H TYR 29 H TYR 29 -6.520 -7.366 -1.939 232 HA TYR 29 HA TYR 29 -5.177 -5.660 -3.872 233 HB2 TYR 29 2HB TYR 29 -6.833 -5.065 -1.414 234 HB3 TYR 29 3HB TYR 29 -6.219 -3.830 -2.541 235 HD1 TYR 29 HD2 TYR 29 -6.844 -4.274 -5.085 236 HD2 TYR 29 HD1 TYR 29 -8.985 -5.881 -1.765 237 HE1 TYR 29 HE2 TYR 29 -8.824 -4.594 -6.530 238 HE2 TYR 29 HE1 TYR 29 -10.979 -6.208 -3.199 239 HH TYR 29 HH TYR 29 -10.981 -5.314 -6.652 240 H PHE 30 H PHE 30 -4.587 -6.550 -0.525 241 HA PHE 30 HA PHE 30 -2.510 -4.635 -0.005 242 HB2 PHE 30 2HB PHE 30 -2.955 -7.462 1.045 243 HB3 PHE 30 3HB PHE 30 -1.733 -6.335 1.675 244 HD1 PHE 30 HD2 PHE 30 -4.632 -4.590 0.651 245 HD2 PHE 30 HD1 PHE 30 -3.017 -6.970 3.809 246 HE1 PHE 30 HE2 PHE 30 -6.302 -3.648 2.212 247 HE2 PHE 30 HE1 PHE 30 -4.688 -6.033 5.373 248 HZ PHE 30 HZ PHE 30 -6.331 -4.372 4.573 249 H ASP 31 H ASP 31 -2.591 -7.586 -1.881 250 HA ASP 31 HA ASP 31 0.288 -7.840 -2.149 251 HB2 ASP 31 2HB ASP 31 -1.546 -9.668 -2.684 252 HB3 ASP 31 3HB ASP 31 -1.776 -8.610 -4.099 253 H LEU 32 H LEU 32 -2.180 -5.960 -3.792 254 HA LEU 32 HA LEU 32 -0.721 -5.571 -6.237 255 HB2 LEU 32 2HB LEU 32 -2.987 -4.478 -4.829 256 HB3 LEU 32 3HB LEU 32 -2.383 -3.364 -6.078 257 HG LEU 32 HG LEU 32 -2.640 -5.202 -7.758 258 HD11 LEU 32 1HD1 LEU 32 -4.079 -7.157 -7.128 259 HD12 LEU 32 2HD1 LEU 32 -2.585 -7.116 -6.163 260 HD13 LEU 32 3HD1 LEU 32 -4.121 -6.566 -5.451 261 HD21 LEU 32 3HD2 LEU 32 -4.325 -3.471 -7.551 262 HD22 LEU 32 1HD2 LEU 32 -5.098 -5.027 -7.935 263 HD23 LEU 32 2HD2 LEU 32 -5.155 -4.390 -6.274 264 H ILE 33 H ILE 33 -0.766 -3.818 -3.178 265 HA ILE 33 HA ILE 33 0.887 -1.615 -4.150 266 HB ILE 33 HB ILE 33 1.188 -1.088 -1.756 267 HG12 ILE 33 2HG1 ILE 33 -0.539 -3.301 -0.862 268 HG13 ILE 33 3HG1 ILE 33 1.121 -3.724 -1.341 269 HG21 ILE 33 1HG2 ILE 33 -1.186 -0.779 -1.135 270 HG22 ILE 33 2HG2 ILE 33 -0.915 -0.383 -2.848 271 HG23 ILE 33 3HG2 ILE 33 -1.667 -1.933 -2.401 272 HD11 ILE 33 3HD1 ILE 33 0.347 -1.651 0.740 273 HD12 ILE 33 1HD1 ILE 33 0.981 -3.278 1.078 274 HD13 ILE 33 2HD1 ILE 33 2.006 -2.075 0.261 275 H ASN 34 H ASN 34 1.538 -4.845 -3.112 276 HA ASN 34 HA ASN 34 4.418 -4.379 -2.827 277 HB2 ASN 34 2HB ASN 34 2.969 -7.114 -3.155 278 HB3 ASN 34 3HB ASN 34 4.655 -6.560 -3.020 279 HD21 ASN 34 1HD2 ASN 34 2.821 -8.220 -1.296 280 HD22 ASN 34 2HD2 ASN 34 2.955 -7.513 0.279 281 H LYS 35 H LYS 35 2.246 -5.486 -5.415 282 HA LYS 35 HA LYS 35 4.313 -5.642 -7.428 283 HB2 LYS 35 2HB LYS 35 1.348 -5.094 -7.546 284 HB3 LYS 35 3HB LYS 35 2.386 -5.207 -8.988 285 HG2 LYS 35 2HG LYS 35 2.968 -7.522 -8.392 286 HG3 LYS 35 3HG LYS 35 1.935 -7.411 -6.946 287 HD2 LYS 35 2HD LYS 35 -0.033 -7.037 -8.365 288 HD3 LYS 35 3HD LYS 35 0.991 -7.114 -9.818 289 HE2 LYS 35 2HE LYS 35 1.606 -9.427 -9.267 290 HE3 LYS 35 3HE LYS 35 0.588 -9.352 -7.810 291 HZ1 LYS 35 3HZ LYS 35 -0.372 -9.093 -10.587 292 HZ2 LYS 35 1HZ LYS 35 -0.547 -10.427 -9.634 293 HZ3 LYS 35 2HZ LYS 35 -1.317 -9.023 -9.236 294 H ALA 36 H ALA 36 2.859 -3.004 -5.774 295 HA ALA 36 HA ALA 36 3.205 -1.058 -7.897 296 HB1 ALA 36 3HB ALA 36 2.835 -0.682 -4.906 297 HB2 ALA 36 1HB ALA 36 2.720 0.596 -6.136 298 HB3 ALA 36 2HB ALA 36 1.540 -0.736 -6.124 299 H LYS 37 H LYS 37 5.419 -1.747 -8.441 300 HA LYS 37 HA LYS 37 7.625 -1.314 -6.665 301 HB2 LYS 37 2HB LYS 37 7.583 -2.574 -8.860 302 HB3 LYS 37 3HB LYS 37 7.646 -0.988 -9.663 303 HG2 LYS 37 2HG LYS 37 9.799 -0.505 -8.675 304 HG3 LYS 37 3HG LYS 37 9.722 -1.983 -7.686 305 HD2 LYS 37 2HD LYS 37 9.676 -3.328 -9.789 306 HD3 LYS 37 3HD LYS 37 9.897 -1.823 -10.713 307 HE2 LYS 37 2HE LYS 37 12.028 -1.420 -9.596 308 HE3 LYS 37 3HE LYS 37 11.802 -2.875 -8.599 309 HZ1 LYS 37 3HZ LYS 37 12.085 -2.836 -11.535 310 HZ2 LYS 37 1HZ LYS 37 13.253 -3.293 -10.466 311 HZ3 LYS 37 2HZ LYS 37 11.874 -4.186 -10.611 312 H THR 38 H THR 38 5.477 0.919 -7.962 313 HA THR 38 HA THR 38 7.437 3.109 -7.354 314 HB THR 38 HB THR 38 5.973 4.624 -8.550 315 HG1 THR 38 HG1 THR 38 4.263 2.402 -9.090 316 HG21 THR 38 3HG2 THR 38 6.328 2.051 -10.139 317 HG22 THR 38 1HG2 THR 38 6.058 3.671 -10.827 318 HG23 THR 38 2HG2 THR 38 7.556 3.322 -9.930 319 H VAL 39 H VAL 39 6.873 4.787 -5.995 320 HA VAL 39 HA VAL 39 5.185 4.092 -3.724 321 HB VAL 39 HB VAL 39 6.406 6.739 -4.611 322 HG11 VAL 39 1HG1 VAL 39 5.899 7.502 -2.315 323 HG12 VAL 39 2HG1 VAL 39 4.410 7.087 -3.196 324 HG13 VAL 39 3HG1 VAL 39 5.071 5.962 -1.986 325 HG21 VAL 39 3HG2 VAL 39 8.065 5.061 -4.060 326 HG22 VAL 39 1HG2 VAL 39 8.012 6.330 -2.815 327 HG23 VAL 39 2HG2 VAL 39 7.259 4.748 -2.503 328 H GLU 40 H GLU 40 4.692 6.056 -6.619 329 HA GLU 40 HA GLU 40 2.170 7.159 -5.775 330 HB2 GLU 40 2HB GLU 40 3.362 6.625 -8.498 331 HB3 GLU 40 3HB GLU 40 1.811 7.460 -8.238 332 HG2 GLU 40 2HG GLU 40 3.030 9.292 -6.993 333 HG3 GLU 40 3HG GLU 40 4.488 8.298 -7.205 334 H GLY 41 H GLY 41 3.051 4.143 -7.386 335 HA2 GLY 41 2HA GLY 41 0.439 3.281 -8.083 336 HA3 GLY 41 3HA GLY 41 1.816 2.217 -7.714 337 H VAL 42 H VAL 42 2.315 2.838 -5.072 338 HA VAL 42 HA VAL 42 0.433 1.108 -3.753 339 HB VAL 42 HB VAL 42 2.466 3.073 -2.619 340 HG11 VAL 42 1HG1 VAL 42 2.212 1.800 -0.515 341 HG12 VAL 42 2HG1 VAL 42 0.680 2.572 -0.985 342 HG13 VAL 42 3HG1 VAL 42 0.919 0.829 -1.258 343 HG21 VAL 42 3HG2 VAL 42 3.471 1.325 -3.962 344 HG22 VAL 42 1HG2 VAL 42 3.826 1.079 -2.236 345 HG23 VAL 42 2HG2 VAL 42 2.590 0.083 -3.040 346 H ASN 43 H ASN 43 0.698 4.643 -3.797 347 HA ASN 43 HA ASN 43 -1.554 4.985 -1.977 348 HB2 ASN 43 2HB ASN 43 0.330 6.869 -2.508 349 HB3 ASN 43 3HB ASN 43 -0.622 6.751 -4.008 350 HD21 ASN 43 1HD2 ASN 43 -1.737 8.537 -4.177 351 HD22 ASN 43 2HD2 ASN 43 -2.728 9.243 -2.944 352 H ALA 44 H ALA 44 -1.156 5.025 -5.505 353 HA ALA 44 HA ALA 44 -3.837 5.886 -6.050 354 HB1 ALA 44 3HB ALA 44 -1.912 4.288 -7.773 355 HB2 ALA 44 1HB ALA 44 -3.390 5.099 -8.342 356 HB3 ALA 44 2HB ALA 44 -2.035 6.061 -7.707 357 H LEU 45 H LEU 45 -2.349 2.648 -5.926 358 HA LEU 45 HA LEU 45 -4.732 1.193 -6.561 359 HB2 LEU 45 2HB LEU 45 -2.424 0.556 -4.842 360 HB3 LEU 45 3HB LEU 45 -3.514 -0.731 -5.407 361 HG LEU 45 HG LEU 45 -2.074 1.024 -7.389 362 HD11 LEU 45 1HD1 LEU 45 -0.211 -0.655 -7.454 363 HD12 LEU 45 2HD1 LEU 45 -0.311 0.138 -5.865 364 HD13 LEU 45 3HD1 LEU 45 -0.953 -1.508 -6.081 365 HD21 LEU 45 3HD2 LEU 45 -3.848 -0.418 -8.196 366 HD22 LEU 45 1HD2 LEU 45 -2.277 -0.984 -8.813 367 HD23 LEU 45 2HD2 LEU 45 -3.064 -1.839 -7.464 368 H LYS 46 H LYS 46 -3.306 1.977 -3.379 369 HA LYS 46 HA LYS 46 -5.398 0.754 -1.856 370 HB2 LYS 46 2HB LYS 46 -3.054 1.611 -1.164 371 HB3 LYS 46 3HB LYS 46 -3.874 3.176 -0.952 372 HG2 LYS 46 2HG LYS 46 -5.545 1.801 0.517 373 HG3 LYS 46 3HG LYS 46 -4.224 0.611 0.588 374 HD2 LYS 46 2HD LYS 46 -3.956 1.995 2.502 375 HD3 LYS 46 3HD LYS 46 -2.715 2.513 1.337 376 HE2 LYS 46 2HE LYS 46 -4.169 4.364 0.616 377 HE3 LYS 46 3HE LYS 46 -5.401 3.851 1.792 378 HZ1 LYS 46 3HZ LYS 46 -2.675 4.769 2.452 379 HZ2 LYS 46 1HZ LYS 46 -4.056 5.652 2.639 380 HZ3 LYS 46 2HZ LYS 46 -3.816 4.293 3.544 381 H ASP 47 H ASP 47 -5.157 3.897 -3.393 382 HA ASP 47 HA ASP 47 -6.913 5.410 -1.823 383 HB2 ASP 47 2HB ASP 47 -5.572 6.144 -3.982 384 HB3 ASP 47 3HB ASP 47 -6.970 5.365 -4.762 385 H GLU 48 H GLU 48 -7.743 3.103 -4.393 386 HA GLU 48 HA GLU 48 -10.583 3.582 -4.277 387 HB2 GLU 48 2HB GLU 48 -8.943 1.203 -5.150 388 HB3 GLU 48 3HB GLU 48 -10.714 1.303 -5.306 389 HG2 GLU 48 2HG GLU 48 -10.445 3.277 -6.861 390 HG3 GLU 48 3HG GLU 48 -8.705 3.158 -6.515 391 H ILE 49 H ILE 49 -8.427 1.415 -2.501 392 HA ILE 49 HA ILE 49 -10.647 -0.005 -1.205 393 HB ILE 49 HB ILE 49 -7.677 0.109 -0.504 394 HG12 ILE 49 2HG1 ILE 49 -8.036 -0.713 -2.737 395 HG13 ILE 49 3HG1 ILE 49 -7.454 -1.983 -1.634 396 HG21 ILE 49 1HG2 ILE 49 -8.148 -1.970 0.745 397 HG22 ILE 49 2HG2 ILE 49 -9.111 -0.615 1.375 398 HG23 ILE 49 3HG2 ILE 49 -9.871 -1.833 0.326 399 HD11 ILE 49 3HD1 ILE 49 -10.325 -1.608 -2.559 400 HD12 ILE 49 1HD1 ILE 49 -9.195 -2.847 -3.149 401 HD13 ILE 49 2HD1 ILE 49 -9.744 -2.878 -1.457 402 H LEU 50 H LEU 50 -8.485 2.646 -0.325 403 HA LEU 50 HA LEU 50 -9.415 2.842 2.394 404 HB2 LEU 50 2HB LEU 50 -7.417 3.728 1.621 405 HB3 LEU 50 3HB LEU 50 -8.150 4.941 0.548 406 HG LEU 50 HG LEU 50 -9.256 5.926 2.607 407 HD11 LEU 50 1HD1 LEU 50 -8.179 5.383 4.807 408 HD12 LEU 50 2HD1 LEU 50 -8.956 3.949 4.096 409 HD13 LEU 50 3HD1 LEU 50 -7.190 4.144 3.999 410 HD21 LEU 50 3HD2 LEU 50 -7.343 6.978 1.552 411 HD22 LEU 50 1HD2 LEU 50 -7.232 7.150 3.320 412 HD23 LEU 50 2HD2 LEU 50 -6.228 5.944 2.477 413 H LYS 51 H LYS 51 -10.555 4.233 -0.647 414 HA LYS 51 HA LYS 51 -12.604 5.844 0.710 415 HB2 LYS 51 2HB LYS 51 -12.074 5.154 -2.182 416 HB3 LYS 51 3HB LYS 51 -13.421 6.179 -1.631 417 HG2 LYS 51 2HG LYS 51 -11.835 7.800 -0.706 418 HG3 LYS 51 3HG LYS 51 -10.473 6.766 -1.196 419 HD2 LYS 51 2HD LYS 51 -11.066 7.037 -3.544 420 HD3 LYS 51 3HD LYS 51 -12.505 7.983 -3.096 421 HE2 LYS 51 2HE LYS 51 -11.080 9.712 -2.111 422 HE3 LYS 51 3HE LYS 51 -9.632 8.760 -2.508 423 HZ1 LYS 51 3HZ LYS 51 -11.533 9.885 -4.463 424 HZ2 LYS 51 1HZ LYS 51 -10.034 10.486 -4.129 425 HZ3 LYS 51 2HZ LYS 51 -10.189 9.002 -4.832 426 H ALA 52 H ALA 52 -12.300 2.609 -0.424 427 HA ALA 52 HA ALA 52 -15.068 2.065 -0.921 428 HB1 ALA 52 3HB ALA 52 -12.863 0.212 0.046 429 HB2 ALA 52 1HB ALA 52 -14.437 -0.297 -0.609 430 HB3 ALA 52 2HB ALA 52 -13.275 0.558 -1.651 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 18.273 -4.031 -0.510 2 H2 GLY 1 2H GLY 1 18.862 -4.183 -1.881 3 H3 GLY 1 3H GLY 1 19.421 -3.164 -0.934 4 HA2 GLY 1 2HA GLY 1 17.371 -2.686 -2.840 5 HA3 GLY 1 3HA GLY 1 16.673 -2.506 -1.213 6 H THR 2 H THR 2 16.863 -0.410 -3.105 7 HA THR 2 HA THR 2 19.120 1.296 -2.235 8 HB THR 2 HB THR 2 18.289 2.915 -3.827 9 HG1 THR 2 HG1 THR 2 16.282 2.300 -5.003 10 HG21 THR 2 3HG2 THR 2 17.998 0.110 -4.972 11 HG22 THR 2 1HG2 THR 2 18.286 1.592 -5.913 12 HG23 THR 2 2HG2 THR 2 19.526 1.000 -4.781 13 H ILE 3 H ILE 3 18.617 3.594 -1.671 14 HA ILE 3 HA ILE 3 17.070 3.670 0.767 15 HB ILE 3 HB ILE 3 18.187 5.883 -1.012 16 HG12 ILE 3 2HG1 ILE 3 19.111 4.913 1.676 17 HG13 ILE 3 3HG1 ILE 3 19.765 4.341 0.125 18 HG21 ILE 3 1HG2 ILE 3 17.745 7.396 0.892 19 HG22 ILE 3 2HG2 ILE 3 16.234 6.699 0.264 20 HG23 ILE 3 3HG2 ILE 3 16.948 6.065 1.764 21 HD11 ILE 3 3HD1 ILE 3 19.821 7.208 1.130 22 HD12 ILE 3 1HD1 ILE 3 21.201 6.086 1.105 23 HD13 ILE 3 2HD1 ILE 3 20.474 6.636 -0.424 24 H ASP 4 H ASP 4 16.339 4.728 -2.532 25 HA ASP 4 HA ASP 4 13.754 5.820 -1.882 26 HB2 ASP 4 2HB ASP 4 14.851 4.701 -4.532 27 HB3 ASP 4 3HB ASP 4 13.251 5.400 -4.181 28 H GLU 5 H GLU 5 14.831 2.567 -2.788 29 HA GLU 5 HA GLU 5 12.157 1.441 -2.822 30 HB2 GLU 5 2HB GLU 5 14.902 0.229 -2.485 31 HB3 GLU 5 3HB GLU 5 13.397 -0.719 -2.565 32 HG2 GLU 5 2HG GLU 5 13.014 0.056 -4.910 33 HG3 GLU 5 3HG GLU 5 14.375 1.172 -4.660 34 H TRP 6 H TRP 6 14.546 2.031 -0.319 35 HA TRP 6 HA TRP 6 13.204 0.486 1.731 36 HB2 TRP 6 2HB TRP 6 15.174 2.807 1.840 37 HB3 TRP 6 3HB TRP 6 14.559 1.968 3.285 38 HD1 TRP 6 HD1 TRP 6 14.694 -0.793 1.488 39 HE1 TRP 6 HE1 TRP 6 17.082 -2.058 1.467 40 HE3 TRP 6 HE3 TRP 6 17.605 3.116 2.932 41 HZ2 TRP 6 HZ2 TRP 6 19.694 -1.335 2.008 42 HZ3 TRP 6 HZ3 TRP 6 19.993 2.827 3.175 43 HH2 TRP 6 HH2 TRP 6 21.079 0.668 2.733 44 H LEU 7 H LEU 7 13.023 3.885 0.710 45 HA LEU 7 HA LEU 7 11.061 4.666 2.660 46 HB2 LEU 7 2HB LEU 7 11.600 5.543 -0.102 47 HB3 LEU 7 3HB LEU 7 10.579 6.529 0.971 48 HG LEU 7 HG LEU 7 13.485 5.862 1.548 49 HD11 LEU 7 1HD1 LEU 7 13.994 8.204 0.803 50 HD12 LEU 7 2HD1 LEU 7 13.325 7.232 -0.529 51 HD13 LEU 7 3HD1 LEU 7 12.292 8.404 0.324 52 HD21 LEU 7 3HD2 LEU 7 12.155 6.417 3.497 53 HD22 LEU 7 1HD2 LEU 7 13.306 7.730 3.155 54 HD23 LEU 7 2HD2 LEU 7 11.589 7.915 2.721 55 H LEU 8 H LEU 8 10.735 3.415 -0.659 56 HA LEU 8 HA LEU 8 7.864 3.400 -0.662 57 HB2 LEU 8 2HB LEU 8 8.874 3.263 -2.616 58 HB3 LEU 8 3HB LEU 8 10.005 1.937 -2.259 59 HG LEU 8 HG LEU 8 8.104 0.358 -2.167 60 HD11 LEU 8 1HD1 LEU 8 5.862 1.112 -3.006 61 HD12 LEU 8 2HD1 LEU 8 6.333 1.994 -1.534 62 HD13 LEU 8 3HD1 LEU 8 6.486 2.774 -3.126 63 HD21 LEU 8 3HD2 LEU 8 9.336 0.613 -4.239 64 HD22 LEU 8 1HD2 LEU 8 7.617 0.310 -4.589 65 HD23 LEU 8 2HD2 LEU 8 8.279 1.956 -4.737 66 H LYS 9 H LYS 9 10.250 0.964 0.336 67 HA LYS 9 HA LYS 9 8.441 -1.095 1.070 68 HB2 LYS 9 2HB LYS 9 10.972 -1.128 1.052 69 HB3 LYS 9 3HB LYS 9 10.898 -0.285 2.618 70 HG2 LYS 9 2HG LYS 9 9.564 -2.191 3.525 71 HG3 LYS 9 3HG LYS 9 9.799 -3.043 1.980 72 HD2 LYS 9 2HD LYS 9 11.412 -3.785 3.700 73 HD3 LYS 9 3HD LYS 9 12.216 -3.031 2.302 74 HE2 LYS 9 2HE LYS 9 13.323 -2.063 4.104 75 HE3 LYS 9 3HE LYS 9 12.092 -0.847 3.694 76 HZ1 LYS 9 3HZ LYS 9 11.871 -2.848 5.849 77 HZ2 LYS 9 1HZ LYS 9 12.193 -1.244 6.060 78 HZ3 LYS 9 2HZ LYS 9 10.729 -1.722 5.468 79 H GLU 10 H GLU 10 9.414 1.821 2.841 80 HA GLU 10 HA GLU 10 7.733 1.184 5.145 81 HB2 GLU 10 2HB GLU 10 9.044 3.725 4.172 82 HB3 GLU 10 3HB GLU 10 8.097 3.602 5.675 83 HG2 GLU 10 2HG GLU 10 9.779 1.938 6.570 84 HG3 GLU 10 3HG GLU 10 10.561 2.059 4.977 85 H ALA 11 H ALA 11 7.335 2.978 2.137 86 HA ALA 11 HA ALA 11 4.855 4.225 2.819 87 HB1 ALA 11 3HB ALA 11 5.906 3.348 0.106 88 HB2 ALA 11 1HB ALA 11 4.553 4.469 0.384 89 HB3 ALA 11 2HB ALA 11 6.200 4.919 0.887 90 H LYS 12 H LYS 12 5.626 1.047 1.457 91 HA LYS 12 HA LYS 12 2.911 0.328 0.814 92 HB2 LYS 12 2HB LYS 12 5.348 -1.340 1.452 93 HB3 LYS 12 3HB LYS 12 3.797 -1.995 0.872 94 HG2 LYS 12 2HG LYS 12 4.043 -1.017 -1.256 95 HG3 LYS 12 3HG LYS 12 5.303 0.106 -0.691 96 HD2 LYS 12 2HD LYS 12 6.881 -1.716 -0.428 97 HD3 LYS 12 3HD LYS 12 5.623 -2.909 -0.826 98 HE2 LYS 12 2HE LYS 12 5.392 -1.760 -3.065 99 HE3 LYS 12 3HE LYS 12 6.840 -0.817 -2.648 100 HZ1 LYS 12 3HZ LYS 12 6.708 -3.757 -2.845 101 HZ2 LYS 12 1HZ LYS 12 7.387 -2.751 -3.961 102 HZ3 LYS 12 2HZ LYS 12 8.052 -2.883 -2.458 103 H GLU 13 H GLU 13 4.927 -0.288 3.687 104 HA GLU 13 HA GLU 13 2.858 -1.765 5.075 105 HB2 GLU 13 2HB GLU 13 5.253 -1.952 5.582 106 HB3 GLU 13 3HB GLU 13 5.254 -0.260 6.138 107 HG2 GLU 13 2HG GLU 13 3.648 -0.919 7.999 108 HG3 GLU 13 3HG GLU 13 3.707 -2.547 7.286 109 H LYS 14 H LYS 14 3.891 1.640 5.134 110 HA LYS 14 HA LYS 14 2.265 2.297 7.431 111 HB2 LYS 14 2HB LYS 14 3.618 3.924 5.287 112 HB3 LYS 14 3HB LYS 14 2.649 4.661 6.585 113 HG2 LYS 14 2HG LYS 14 4.155 3.649 8.265 114 HG3 LYS 14 3HG LYS 14 5.136 2.955 6.952 115 HD2 LYS 14 2HD LYS 14 6.148 5.021 7.822 116 HD3 LYS 14 3HD LYS 14 5.649 5.204 6.124 117 HE2 LYS 14 2HE LYS 14 3.533 6.268 6.923 118 HE3 LYS 14 3HE LYS 14 4.174 6.200 8.580 119 HZ1 LYS 14 3HZ LYS 14 5.400 7.656 6.326 120 HZ2 LYS 14 1HZ LYS 14 4.556 8.343 7.565 121 HZ3 LYS 14 2HZ LYS 14 5.995 7.594 7.863 122 H ALA 15 H ALA 15 1.696 2.338 3.956 123 HA ALA 15 HA ALA 15 -0.566 4.112 4.078 124 HB1 ALA 15 3HB ALA 15 0.211 2.066 1.970 125 HB2 ALA 15 1HB ALA 15 -0.993 3.360 1.769 126 HB3 ALA 15 2HB ALA 15 0.721 3.770 2.016 127 H ILE 16 H ILE 16 -0.246 0.575 4.094 128 HA ILE 16 HA ILE 16 -3.135 0.140 3.881 129 HB ILE 16 HB ILE 16 -0.942 -1.784 4.783 130 HG12 ILE 16 2HG1 ILE 16 -0.239 -1.135 2.702 131 HG13 ILE 16 3HG1 ILE 16 -1.161 -2.631 2.419 132 HG21 ILE 16 1HG2 ILE 16 -2.553 -3.518 4.071 133 HG22 ILE 16 2HG2 ILE 16 -3.242 -2.492 5.351 134 HG23 ILE 16 3HG2 ILE 16 -3.734 -2.253 3.657 135 HD11 ILE 16 3HD1 ILE 16 -2.175 0.198 1.961 136 HD12 ILE 16 1HD1 ILE 16 -1.656 -0.939 0.696 137 HD13 ILE 16 2HD1 ILE 16 -3.097 -1.297 1.678 138 H GLU 17 H GLU 17 -0.933 0.723 6.481 139 HA GLU 17 HA GLU 17 -2.275 -0.399 8.669 140 HB2 GLU 17 2HB GLU 17 -0.165 0.875 8.761 141 HB3 GLU 17 3HB GLU 17 -1.086 2.374 8.488 142 HG2 GLU 17 2HG GLU 17 -2.286 1.992 10.695 143 HG3 GLU 17 3HG GLU 17 -1.349 0.483 10.790 144 H GLU 18 H GLU 18 -3.130 2.521 6.852 145 HA GLU 18 HA GLU 18 -5.377 3.257 8.491 146 HB2 GLU 18 2HB GLU 18 -4.809 3.657 5.551 147 HB3 GLU 18 3HB GLU 18 -6.173 4.391 6.427 148 HG2 GLU 18 2HG GLU 18 -4.567 5.698 7.843 149 HG3 GLU 18 3HG GLU 18 -3.276 4.752 7.067 150 H LEU 19 H LEU 19 -5.054 1.057 5.726 151 HA LEU 19 HA LEU 19 -7.868 0.488 5.503 152 HB2 LEU 19 2HB LEU 19 -5.334 -0.543 4.621 153 HB3 LEU 19 3HB LEU 19 -6.597 -1.794 4.552 154 HG LEU 19 HG LEU 19 -7.892 -0.531 2.992 155 HD11 LEU 19 1HD1 LEU 19 -7.205 1.763 2.246 156 HD12 LEU 19 2HD1 LEU 19 -7.519 1.721 3.996 157 HD13 LEU 19 3HD1 LEU 19 -5.845 1.712 3.391 158 HD21 LEU 19 3HD2 LEU 19 -6.050 -1.765 2.009 159 HD22 LEU 19 1HD2 LEU 19 -6.342 -0.272 1.086 160 HD23 LEU 19 2HD2 LEU 19 -4.967 -0.367 2.214 161 H LYS 20 H LYS 20 -5.245 -1.039 7.342 162 HA LYS 20 HA LYS 20 -6.828 -3.170 8.433 163 HB2 LYS 20 2HB LYS 20 -4.460 -1.695 9.597 164 HB3 LYS 20 3HB LYS 20 -5.131 -3.229 10.204 165 HG2 LYS 20 2HG LYS 20 -4.641 -4.200 7.901 166 HG3 LYS 20 3HG LYS 20 -3.710 -2.718 7.577 167 HD2 LYS 20 2HD LYS 20 -3.209 -4.515 9.967 168 HD3 LYS 20 3HD LYS 20 -2.367 -4.707 8.411 169 HE2 LYS 20 2HE LYS 20 -1.506 -2.422 8.577 170 HE3 LYS 20 3HE LYS 20 -2.377 -2.194 10.111 171 HZ1 LYS 20 3HZ LYS 20 -0.220 -4.150 9.638 172 HZ2 LYS 20 1HZ LYS 20 -0.066 -2.734 10.471 173 HZ3 LYS 20 2HZ LYS 20 -1.027 -3.938 11.061 174 H LYS 21 H LYS 21 -6.270 0.164 9.522 175 HA LYS 21 HA LYS 21 -7.965 -0.061 11.858 176 HB2 LYS 21 2HB LYS 21 -7.075 2.267 10.158 177 HB3 LYS 21 3HB LYS 21 -8.096 2.440 11.606 178 HG2 LYS 21 2HG LYS 21 -6.320 1.471 12.992 179 HG3 LYS 21 3HG LYS 21 -5.301 1.250 11.549 180 HD2 LYS 21 2HD LYS 21 -5.331 3.701 11.180 181 HD3 LYS 21 3HD LYS 21 -6.294 3.896 12.664 182 HE2 LYS 21 2HE LYS 21 -4.485 2.934 13.991 183 HE3 LYS 21 3HE LYS 21 -3.526 2.661 12.519 184 HZ1 LYS 21 3HZ LYS 21 -4.364 5.293 13.557 185 HZ2 LYS 21 1HZ LYS 21 -2.846 4.659 13.666 186 HZ3 LYS 21 2HZ LYS 21 -3.476 5.041 12.190 187 H ALA 22 H ALA 22 -8.585 0.313 8.460 188 HA ALA 22 HA ALA 22 -11.293 1.364 8.917 189 HB1 ALA 22 3HB ALA 22 -9.884 0.506 6.367 190 HB2 ALA 22 1HB ALA 22 -11.463 1.319 6.458 191 HB3 ALA 22 2HB ALA 22 -9.994 2.166 6.997 192 H GLY 23 H GLY 23 -9.855 -1.650 9.019 193 HA2 GLY 23 2HA GLY 23 -11.028 -3.611 9.629 194 HA3 GLY 23 3HA GLY 23 -12.532 -2.900 9.002 195 H ILE 24 H ILE 24 -9.771 -2.601 6.975 196 HA ILE 24 HA ILE 24 -10.931 -4.509 5.023 197 HB ILE 24 HB ILE 24 -8.441 -2.749 4.859 198 HG12 ILE 24 2HG1 ILE 24 -10.431 -1.430 5.133 199 HG13 ILE 24 3HG1 ILE 24 -9.731 -1.257 3.506 200 HG21 ILE 24 1HG2 ILE 24 -8.606 -3.182 2.431 201 HG22 ILE 24 2HG2 ILE 24 -8.388 -4.696 3.338 202 HG23 ILE 24 3HG2 ILE 24 -9.995 -4.254 2.716 203 HD11 ILE 24 3HD1 ILE 24 -12.148 -2.951 4.233 204 HD12 ILE 24 1HD1 ILE 24 -12.191 -1.375 3.409 205 HD13 ILE 24 2HD1 ILE 24 -11.448 -2.779 2.606 206 H THR 25 H THR 25 -10.408 -6.480 4.692 207 HA THR 25 HA THR 25 -7.838 -7.462 5.889 208 HB THR 25 HB THR 25 -9.009 -9.573 6.460 209 HG1 THR 25 HG1 THR 25 -11.334 -9.537 6.373 210 HG21 THR 25 3HG2 THR 25 -10.329 -7.096 7.640 211 HG22 THR 25 1HG2 THR 25 -10.308 -8.715 8.378 212 HG23 THR 25 2HG2 THR 25 -8.789 -7.809 8.177 213 H SER 26 H SER 26 -8.747 -6.657 3.115 214 HA SER 26 HA SER 26 -8.779 -9.175 1.551 215 HB2 SER 26 2HB SER 26 -10.078 -7.448 0.787 216 HB3 SER 26 3HB SER 26 -8.699 -6.325 0.772 217 HG SER 26 HG SER 26 -9.104 -8.618 -0.835 218 H ASP 27 H ASP 27 -6.823 -10.253 1.935 219 HA ASP 27 HA ASP 27 -4.229 -9.014 1.723 220 HB2 ASP 27 2HB ASP 27 -5.098 -11.938 1.318 221 HB3 ASP 27 3HB ASP 27 -3.472 -11.222 1.202 222 H TYR 28 H TYR 28 -6.550 -10.096 -0.641 223 HA TYR 28 HA TYR 28 -4.859 -10.320 -2.916 224 HB2 TYR 28 2HB TYR 28 -7.191 -10.965 -2.946 225 HB3 TYR 28 3HB TYR 28 -7.684 -9.278 -2.661 226 HD1 TYR 28 HD1 TYR 28 -6.063 -11.546 -5.130 227 HD2 TYR 28 HD2 TYR 28 -7.906 -7.757 -4.475 228 HE1 TYR 28 HE1 TYR 28 -6.108 -11.154 -7.575 229 HE2 TYR 28 HE2 TYR 28 -7.959 -7.349 -6.912 230 HH TYR 28 HH TYR 28 -7.454 -8.163 -8.978 231 H TYR 29 H TYR 29 -6.670 -7.435 -1.816 232 HA TYR 29 HA TYR 29 -5.374 -5.740 -3.792 233 HB2 TYR 29 2HB TYR 29 -7.043 -5.177 -1.339 234 HB3 TYR 29 3HB TYR 29 -6.399 -3.906 -2.407 235 HD1 TYR 29 HD2 TYR 29 -6.914 -4.418 -5.019 236 HD2 TYR 29 HD1 TYR 29 -9.243 -5.807 -1.728 237 HE1 TYR 29 HE2 TYR 29 -8.861 -4.677 -6.519 238 HE2 TYR 29 HE1 TYR 29 -11.204 -6.072 -3.216 239 HH TYR 29 HH TYR 29 -12.014 -5.863 -5.329 240 H PHE 30 H PHE 30 -4.734 -6.580 -0.440 241 HA PHE 30 HA PHE 30 -2.663 -4.640 0.022 242 HB2 PHE 30 2HB PHE 30 -3.086 -7.450 1.126 243 HB3 PHE 30 3HB PHE 30 -1.852 -6.315 1.716 244 HD1 PHE 30 HD2 PHE 30 -4.715 -4.524 0.730 245 HD2 PHE 30 HD1 PHE 30 -3.152 -6.970 3.865 246 HE1 PHE 30 HE2 PHE 30 -6.357 -3.555 2.302 247 HE2 PHE 30 HE1 PHE 30 -4.794 -6.003 5.440 248 HZ PHE 30 HZ PHE 30 -6.397 -4.296 4.657 249 H ASP 31 H ASP 31 -2.746 -7.630 -1.793 250 HA ASP 31 HA ASP 31 0.132 -7.877 -2.081 251 HB2 ASP 31 2HB ASP 31 -1.697 -9.727 -2.553 252 HB3 ASP 31 3HB ASP 31 -1.946 -8.706 -3.991 253 H LEU 32 H LEU 32 -2.349 -6.020 -3.723 254 HA LEU 32 HA LEU 32 -0.970 -5.765 -6.228 255 HB2 LEU 32 2HB LEU 32 -3.192 -4.639 -4.813 256 HB3 LEU 32 3HB LEU 32 -2.597 -3.501 -6.044 257 HG LEU 32 HG LEU 32 -2.832 -5.375 -7.733 258 HD11 LEU 32 1HD1 LEU 32 -4.387 -7.242 -7.113 259 HD12 LEU 32 2HD1 LEU 32 -2.924 -7.257 -6.102 260 HD13 LEU 32 3HD1 LEU 32 -4.450 -6.616 -5.449 261 HD21 LEU 32 3HD2 LEU 32 -4.431 -3.557 -7.611 262 HD22 LEU 32 1HD2 LEU 32 -5.271 -5.079 -7.990 263 HD23 LEU 32 2HD2 LEU 32 -5.346 -4.407 -6.342 264 H ILE 33 H ILE 33 -0.854 -3.895 -3.247 265 HA ILE 33 HA ILE 33 0.731 -1.724 -4.377 266 HB ILE 33 HB ILE 33 1.198 -1.158 -2.001 267 HG12 ILE 33 2HG1 ILE 33 -0.546 -3.350 -1.045 268 HG13 ILE 33 3HG1 ILE 33 1.126 -3.748 -1.501 269 HG21 ILE 33 1HG2 ILE 33 -1.134 -0.759 -1.285 270 HG22 ILE 33 2HG2 ILE 33 -0.927 -0.403 -3.015 271 HG23 ILE 33 3HG2 ILE 33 -1.709 -1.919 -2.506 272 HD11 ILE 33 3HD1 ILE 33 0.289 -1.656 0.537 273 HD12 ILE 33 1HD1 ILE 33 0.953 -3.263 0.908 274 HD13 ILE 33 2HD1 ILE 33 1.962 -2.053 0.080 275 H ASN 34 H ASN 34 1.456 -4.928 -3.387 276 HA ASN 34 HA ASN 34 4.302 -4.429 -2.936 277 HB2 ASN 34 2HB ASN 34 2.909 -7.177 -3.385 278 HB3 ASN 34 3HB ASN 34 4.580 -6.608 -3.149 279 HD21 ASN 34 1HD2 ASN 34 2.577 -8.273 -1.564 280 HD22 ASN 34 2HD2 ASN 34 2.651 -7.597 0.030 281 H LYS 35 H LYS 35 2.308 -5.458 -5.684 282 HA LYS 35 HA LYS 35 4.498 -5.626 -7.556 283 HB2 LYS 35 2HB LYS 35 2.214 -6.484 -7.954 284 HB3 LYS 35 3HB LYS 35 1.624 -4.806 -8.015 285 HG2 LYS 35 2HG LYS 35 2.974 -4.363 -9.991 286 HG3 LYS 35 3HG LYS 35 3.688 -5.991 -9.902 287 HD2 LYS 35 2HD LYS 35 1.465 -6.988 -10.260 288 HD3 LYS 35 3HD LYS 35 0.750 -5.360 -10.349 289 HE2 LYS 35 2HE LYS 35 2.153 -4.854 -12.306 290 HE3 LYS 35 3HE LYS 35 2.857 -6.485 -12.221 291 HZ1 LYS 35 3HZ LYS 35 0.012 -5.869 -12.702 292 HZ2 LYS 35 1HZ LYS 35 1.093 -6.362 -13.846 293 HZ3 LYS 35 2HZ LYS 35 0.664 -7.383 -12.622 294 H ALA 36 H ALA 36 2.966 -2.969 -5.971 295 HA ALA 36 HA ALA 36 3.404 -1.046 -8.096 296 HB1 ALA 36 3HB ALA 36 2.830 -0.637 -5.141 297 HB2 ALA 36 1HB ALA 36 2.759 0.620 -6.397 298 HB3 ALA 36 2HB ALA 36 1.618 -0.745 -6.440 299 H LYS 37 H LYS 37 5.662 -1.653 -8.497 300 HA LYS 37 HA LYS 37 7.737 -1.160 -6.584 301 HB2 LYS 37 2HB LYS 37 7.839 -2.415 -8.799 302 HB3 LYS 37 3HB LYS 37 7.975 -0.816 -9.567 303 HG2 LYS 37 2HG LYS 37 10.044 -0.366 -8.397 304 HG3 LYS 37 3HG LYS 37 9.878 -1.862 -7.447 305 HD2 LYS 37 2HD LYS 37 9.987 -3.161 -9.583 306 HD3 LYS 37 3HD LYS 37 10.313 -1.637 -10.444 307 HE2 LYS 37 2HE LYS 37 12.341 -1.299 -9.129 308 HE3 LYS 37 3HE LYS 37 12.006 -2.778 -8.199 309 HZ1 LYS 37 3HZ LYS 37 12.548 -2.663 -11.096 310 HZ2 LYS 37 1HZ LYS 37 13.611 -3.169 -9.941 311 HZ3 LYS 37 2HZ LYS 37 12.238 -4.034 -10.234 312 H THR 38 H THR 38 5.621 1.014 -8.026 313 HA THR 38 HA THR 38 7.482 3.257 -7.320 314 HB THR 38 HB THR 38 6.005 4.732 -8.551 315 HG1 THR 38 HG1 THR 38 4.387 2.441 -9.107 316 HG21 THR 38 3HG2 THR 38 6.495 2.183 -10.142 317 HG22 THR 38 1HG2 THR 38 6.192 3.796 -10.829 318 HG23 THR 38 2HG2 THR 38 7.672 3.493 -9.889 319 H VAL 39 H VAL 39 6.846 4.890 -5.951 320 HA VAL 39 HA VAL 39 5.089 4.144 -3.753 321 HB VAL 39 HB VAL 39 6.283 6.824 -4.574 322 HG11 VAL 39 1HG1 VAL 39 5.679 7.555 -2.291 323 HG12 VAL 39 2HG1 VAL 39 4.231 7.115 -3.226 324 HG13 VAL 39 3HG1 VAL 39 4.875 5.993 -2.004 325 HG21 VAL 39 3HG2 VAL 39 7.958 5.179 -3.979 326 HG22 VAL 39 1HG2 VAL 39 7.834 6.435 -2.726 327 HG23 VAL 39 2HG2 VAL 39 7.107 4.834 -2.454 328 H GLU 40 H GLU 40 4.656 6.099 -6.659 329 HA GLU 40 HA GLU 40 2.093 7.165 -5.899 330 HB2 GLU 40 2HB GLU 40 3.376 6.639 -8.582 331 HB3 GLU 40 3HB GLU 40 1.806 7.451 -8.373 332 HG2 GLU 40 2HG GLU 40 2.958 9.307 -7.102 333 HG3 GLU 40 3HG GLU 40 4.437 8.333 -7.260 334 H GLY 41 H GLY 41 3.065 4.163 -7.489 335 HA2 GLY 41 2HA GLY 41 0.479 3.251 -8.226 336 HA3 GLY 41 3HA GLY 41 1.871 2.215 -7.837 337 H VAL 42 H VAL 42 2.326 2.821 -5.193 338 HA VAL 42 HA VAL 42 0.429 1.079 -3.903 339 HB VAL 42 HB VAL 42 2.460 3.029 -2.737 340 HG11 VAL 42 1HG1 VAL 42 2.192 1.733 -0.649 341 HG12 VAL 42 2HG1 VAL 42 0.662 2.512 -1.120 342 HG13 VAL 42 3HG1 VAL 42 0.902 0.772 -1.411 343 HG21 VAL 42 3HG2 VAL 42 3.474 1.296 -4.091 344 HG22 VAL 42 1HG2 VAL 42 3.816 1.031 -2.366 345 HG23 VAL 42 2HG2 VAL 42 2.585 0.044 -3.191 346 H ASN 43 H ASN 43 0.715 4.614 -3.910 347 HA ASN 43 HA ASN 43 -1.540 4.964 -2.103 348 HB2 ASN 43 2HB ASN 43 0.347 6.842 -2.641 349 HB3 ASN 43 3HB ASN 43 -0.608 6.724 -4.138 350 HD21 ASN 43 1HD2 ASN 43 -1.727 8.506 -4.312 351 HD22 ASN 43 2HD2 ASN 43 -2.712 9.217 -3.076 352 H ALA 44 H ALA 44 -1.145 4.982 -5.631 353 HA ALA 44 HA ALA 44 -3.829 5.826 -6.185 354 HB1 ALA 44 3HB ALA 44 -1.903 4.207 -7.886 355 HB2 ALA 44 1HB ALA 44 -3.383 5.005 -8.465 356 HB3 ALA 44 2HB ALA 44 -2.030 5.982 -7.847 357 H LEU 45 H LEU 45 -2.333 2.594 -6.017 358 HA LEU 45 HA LEU 45 -4.708 1.117 -6.614 359 HB2 LEU 45 2HB LEU 45 -2.399 0.535 -4.878 360 HB3 LEU 45 3HB LEU 45 -3.485 -0.773 -5.402 361 HG LEU 45 HG LEU 45 -2.058 0.928 -7.442 362 HD11 LEU 45 1HD1 LEU 45 -0.185 -0.742 -7.458 363 HD12 LEU 45 2HD1 LEU 45 -0.286 0.101 -5.894 364 HD13 LEU 45 3HD1 LEU 45 -0.919 -1.555 -6.056 365 HD21 LEU 45 3HD2 LEU 45 -3.826 -0.552 -8.196 366 HD22 LEU 45 1HD2 LEU 45 -2.254 -1.128 -8.799 367 HD23 LEU 45 2HD2 LEU 45 -3.032 -1.943 -7.420 368 H LYS 46 H LYS 46 -3.294 1.974 -3.446 369 HA LYS 46 HA LYS 46 -5.392 0.765 -1.914 370 HB2 LYS 46 2HB LYS 46 -3.042 1.618 -1.229 371 HB3 LYS 46 3HB LYS 46 -3.859 3.185 -1.023 372 HG2 LYS 46 2HG LYS 46 -5.533 1.819 0.452 373 HG3 LYS 46 3HG LYS 46 -4.214 0.626 0.528 374 HD2 LYS 46 2HD LYS 46 -3.946 2.020 2.435 375 HD3 LYS 46 3HD LYS 46 -2.703 2.530 1.269 376 HE2 LYS 46 2HE LYS 46 -4.160 4.378 0.536 377 HE3 LYS 46 3HE LYS 46 -5.384 3.875 1.724 378 HZ1 LYS 46 3HZ LYS 46 -2.654 4.793 2.360 379 HZ2 LYS 46 1HZ LYS 46 -4.032 5.680 2.550 380 HZ3 LYS 46 2HZ LYS 46 -3.789 4.328 3.463 381 H ASP 47 H ASP 47 -5.128 3.895 -3.473 382 HA ASP 47 HA ASP 47 -6.896 5.427 -1.936 383 HB2 ASP 47 2HB ASP 47 -5.539 6.126 -4.103 384 HB3 ASP 47 3HB ASP 47 -6.942 5.348 -4.875 385 H GLU 48 H GLU 48 -7.701 3.060 -4.455 386 HA GLU 48 HA GLU 48 -10.541 3.547 -4.397 387 HB2 GLU 48 2HB GLU 48 -8.895 1.132 -5.154 388 HB3 GLU 48 3HB GLU 48 -10.662 1.232 -5.344 389 HG2 GLU 48 2HG GLU 48 -10.360 3.146 -6.966 390 HG3 GLU 48 3HG GLU 48 -8.626 3.034 -6.587 391 H ILE 49 H ILE 49 -8.426 1.415 -2.525 392 HA ILE 49 HA ILE 49 -10.679 0.065 -1.213 393 HB ILE 49 HB ILE 49 -7.718 0.155 -0.474 394 HG12 ILE 49 2HG1 ILE 49 -8.047 -0.706 -2.696 395 HG13 ILE 49 3HG1 ILE 49 -7.502 -1.962 -1.561 396 HG21 ILE 49 1HG2 ILE 49 -8.235 -1.895 0.805 397 HG22 ILE 49 2HG2 ILE 49 -9.192 -0.516 1.393 398 HG23 ILE 49 3HG2 ILE 49 -9.950 -1.745 0.354 399 HD11 ILE 49 3HD1 ILE 49 -10.350 -1.568 -2.544 400 HD12 ILE 49 1HD1 ILE 49 -9.226 -2.832 -3.091 401 HD13 ILE 49 2HD1 ILE 49 -9.806 -2.823 -1.407 402 H LEU 50 H LEU 50 -8.475 2.696 -0.374 403 HA LEU 50 HA LEU 50 -9.424 2.968 2.331 404 HB2 LEU 50 2HB LEU 50 -7.400 3.793 1.559 405 HB3 LEU 50 3HB LEU 50 -8.097 5.001 0.454 406 HG LEU 50 HG LEU 50 -9.201 6.052 2.482 407 HD11 LEU 50 1HD1 LEU 50 -8.152 5.533 4.703 408 HD12 LEU 50 2HD1 LEU 50 -8.955 4.101 4.015 409 HD13 LEU 50 3HD1 LEU 50 -7.183 4.257 3.929 410 HD21 LEU 50 3HD2 LEU 50 -7.257 7.041 1.422 411 HD22 LEU 50 1HD2 LEU 50 -7.156 7.247 3.187 412 HD23 LEU 50 2HD2 LEU 50 -6.171 6.004 2.379 413 H LYS 51 H LYS 51 -10.500 4.337 -0.745 414 HA LYS 51 HA LYS 51 -12.542 5.996 0.561 415 HB2 LYS 51 2HB LYS 51 -11.978 5.254 -2.309 416 HB3 LYS 51 3HB LYS 51 -13.332 6.291 -1.801 417 HG2 LYS 51 2HG LYS 51 -11.754 7.920 -0.868 418 HG3 LYS 51 3HG LYS 51 -10.389 6.877 -1.334 419 HD2 LYS 51 2HD LYS 51 -10.953 7.124 -3.689 420 HD3 LYS 51 3HD LYS 51 -12.400 8.072 -3.270 421 HE2 LYS 51 2HE LYS 51 -10.991 9.815 -2.287 422 HE3 LYS 51 3HE LYS 51 -9.535 8.863 -2.657 423 HZ1 LYS 51 3HZ LYS 51 -11.417 9.961 -4.647 424 HZ2 LYS 51 1HZ LYS 51 -9.923 10.570 -4.301 425 HZ3 LYS 51 2HZ LYS 51 -10.067 9.077 -4.991 426 H ALA 52 H ALA 52 -12.288 2.752 -0.621 427 HA ALA 52 HA ALA 52 -15.097 2.273 -1.000 428 HB1 ALA 52 3HB ALA 52 -12.864 0.349 -0.266 429 HB2 ALA 52 1HB ALA 52 -14.484 -0.109 -0.840 430 HB3 ALA 52 2HB ALA 52 -13.378 0.780 -1.913 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 18.255 -4.101 -3.053 2 H2 GLY 1 2H GLY 1 16.914 -3.554 -3.443 3 H3 GLY 1 3H GLY 1 18.155 -2.750 -3.697 4 HA2 GLY 1 2HA GLY 1 16.544 -2.595 -1.363 5 HA3 GLY 1 3HA GLY 1 18.135 -3.244 -0.901 6 H THR 2 H THR 2 16.860 -0.675 -3.061 7 HA THR 2 HA THR 2 19.141 1.068 -2.348 8 HB THR 2 HB THR 2 18.296 2.579 -4.031 9 HG1 THR 2 HG1 THR 2 16.253 1.918 -5.115 10 HG21 THR 2 3HG2 THR 2 17.938 -0.294 -4.971 11 HG22 THR 2 1HG2 THR 2 18.224 1.115 -6.019 12 HG23 THR 2 2HG2 THR 2 19.483 0.585 -4.878 13 H ILE 3 H ILE 3 18.666 3.405 -1.935 14 HA ILE 3 HA ILE 3 17.174 3.664 0.524 15 HB ILE 3 HB ILE 3 18.263 5.738 -1.431 16 HG12 ILE 3 2HG1 ILE 3 19.242 4.954 1.298 17 HG13 ILE 3 3HG1 ILE 3 19.857 4.269 -0.224 18 HG21 ILE 3 1HG2 ILE 3 17.872 7.384 0.372 19 HG22 ILE 3 2HG2 ILE 3 16.343 6.656 -0.172 20 HG23 ILE 3 3HG2 ILE 3 17.088 6.124 1.353 21 HD11 ILE 3 3HD1 ILE 3 19.953 7.199 0.575 22 HD12 ILE 3 1HD1 ILE 3 21.325 6.068 0.598 23 HD13 ILE 3 2HD1 ILE 3 20.567 6.514 -0.948 24 H ASP 4 H ASP 4 16.374 4.492 -2.825 25 HA ASP 4 HA ASP 4 13.808 5.641 -2.192 26 HB2 ASP 4 2HB ASP 4 14.845 4.344 -4.785 27 HB3 ASP 4 3HB ASP 4 13.254 5.073 -4.447 28 H GLU 5 H GLU 5 14.863 2.330 -2.875 29 HA GLU 5 HA GLU 5 12.182 1.217 -2.796 30 HB2 GLU 5 2HB GLU 5 14.932 0.027 -2.435 31 HB3 GLU 5 3HB GLU 5 13.429 -0.926 -2.400 32 HG2 GLU 5 2HG GLU 5 12.971 -0.290 -4.789 33 HG3 GLU 5 3HG GLU 5 14.383 0.783 -4.657 34 H TRP 6 H TRP 6 14.615 1.963 -0.378 35 HA TRP 6 HA TRP 6 13.315 0.567 1.797 36 HB2 TRP 6 2HB TRP 6 15.259 2.911 1.715 37 HB3 TRP 6 3HB TRP 6 14.680 2.159 3.221 38 HD1 TRP 6 HD1 TRP 6 14.822 -0.707 1.591 39 HE1 TRP 6 HE1 TRP 6 17.227 -1.943 1.612 40 HE3 TRP 6 HE3 TRP 6 17.702 3.316 2.757 41 HZ2 TRP 6 HZ2 TRP 6 19.836 -1.158 2.073 42 HZ3 TRP 6 HZ3 TRP 6 20.096 3.070 2.984 43 HH2 TRP 6 HH2 TRP 6 21.204 0.902 2.657 44 H LEU 7 H LEU 7 13.112 3.902 0.573 45 HA LEU 7 HA LEU 7 11.149 4.775 2.487 46 HB2 LEU 7 2HB LEU 7 11.669 5.529 -0.314 47 HB3 LEU 7 3HB LEU 7 10.683 6.570 0.738 48 HG LEU 7 HG LEU 7 13.587 5.888 1.299 49 HD11 LEU 7 1HD1 LEU 7 14.125 8.177 0.424 50 HD12 LEU 7 2HD1 LEU 7 13.422 7.149 -0.845 51 HD13 LEU 7 3HD1 LEU 7 12.421 8.383 -0.043 52 HD21 LEU 7 3HD2 LEU 7 12.292 6.569 3.232 53 HD22 LEU 7 1HD2 LEU 7 13.461 7.841 2.806 54 HD23 LEU 7 2HD2 LEU 7 11.742 8.033 2.385 55 H LEU 8 H LEU 8 10.833 3.380 -0.775 56 HA LEU 8 HA LEU 8 7.961 3.427 -0.806 57 HB2 LEU 8 2HB LEU 8 8.971 3.206 -2.747 58 HB3 LEU 8 3HB LEU 8 10.090 1.884 -2.340 59 HG LEU 8 HG LEU 8 8.176 0.323 -2.207 60 HD11 LEU 8 1HD1 LEU 8 5.944 1.068 -3.079 61 HD12 LEU 8 2HD1 LEU 8 6.415 1.992 -1.634 62 HD13 LEU 8 3HD1 LEU 8 6.580 2.721 -3.250 63 HD21 LEU 8 3HD2 LEU 8 9.418 0.503 -4.281 64 HD22 LEU 8 1HD2 LEU 8 7.698 0.202 -4.629 65 HD23 LEU 8 2HD2 LEU 8 8.374 1.838 -4.825 66 H LYS 9 H LYS 9 10.286 0.973 0.288 67 HA LYS 9 HA LYS 9 8.434 -1.028 1.066 68 HB2 LYS 9 2HB LYS 9 10.890 -1.252 1.084 69 HB3 LYS 9 3HB LYS 9 10.956 -0.157 2.485 70 HG2 LYS 9 2HG LYS 9 9.811 -1.743 3.877 71 HG3 LYS 9 3HG LYS 9 9.449 -2.788 2.483 72 HD2 LYS 9 2HD LYS 9 12.199 -2.180 3.621 73 HD3 LYS 9 3HD LYS 9 11.303 -3.709 3.787 74 HE2 LYS 9 2HE LYS 9 11.404 -4.093 1.404 75 HE3 LYS 9 3HE LYS 9 12.140 -2.495 1.139 76 HZ1 LYS 9 3HZ LYS 9 13.373 -4.724 2.628 77 HZ2 LYS 9 1HZ LYS 9 13.782 -4.247 1.103 78 HZ3 LYS 9 2HZ LYS 9 14.055 -3.243 2.382 79 H GLU 10 H GLU 10 9.435 1.922 2.764 80 HA GLU 10 HA GLU 10 7.738 1.385 5.074 81 HB2 GLU 10 2HB GLU 10 9.064 3.879 4.008 82 HB3 GLU 10 3HB GLU 10 8.107 3.824 5.508 83 HG2 GLU 10 2HG GLU 10 9.771 2.191 6.486 84 HG3 GLU 10 3HG GLU 10 10.563 2.234 4.894 85 H ALA 11 H ALA 11 7.353 3.088 2.008 86 HA ALA 11 HA ALA 11 4.841 4.307 2.616 87 HB1 ALA 11 3HB ALA 11 5.934 3.340 -0.049 88 HB2 ALA 11 1HB ALA 11 4.557 4.444 0.171 89 HB3 ALA 11 2HB ALA 11 6.190 4.948 0.668 90 H LYS 12 H LYS 12 5.687 1.093 1.388 91 HA LYS 12 HA LYS 12 2.986 0.282 0.794 92 HB2 LYS 12 2HB LYS 12 5.462 -1.304 1.491 93 HB3 LYS 12 3HB LYS 12 3.925 -2.013 0.937 94 HG2 LYS 12 2HG LYS 12 4.164 -1.160 -1.230 95 HG3 LYS 12 3HG LYS 12 5.344 0.070 -0.718 96 HD2 LYS 12 2HD LYS 12 7.035 -1.627 -0.354 97 HD3 LYS 12 3HD LYS 12 5.860 -2.921 -0.691 98 HE2 LYS 12 2HE LYS 12 5.577 -1.974 -2.991 99 HE3 LYS 12 3HE LYS 12 6.893 -0.833 -2.632 100 HZ1 LYS 12 3HZ LYS 12 7.127 -3.774 -2.629 101 HZ2 LYS 12 1HZ LYS 12 7.691 -2.768 -3.809 102 HZ3 LYS 12 2HZ LYS 12 8.348 -2.716 -2.297 103 H GLU 13 H GLU 13 5.033 -0.136 3.677 104 HA GLU 13 HA GLU 13 3.023 -1.680 5.098 105 HB2 GLU 13 2HB GLU 13 5.484 -0.179 5.996 106 HB3 GLU 13 3HB GLU 13 4.456 -1.150 7.077 107 HG2 GLU 13 2HG GLU 13 5.033 -3.215 5.740 108 HG3 GLU 13 3HG GLU 13 5.917 -2.117 4.655 109 H LYS 14 H LYS 14 3.941 1.749 5.055 110 HA LYS 14 HA LYS 14 2.394 2.404 7.412 111 HB2 LYS 14 2HB LYS 14 3.609 4.025 5.181 112 HB3 LYS 14 3HB LYS 14 2.667 4.760 6.501 113 HG2 LYS 14 2HG LYS 14 4.264 3.891 8.145 114 HG3 LYS 14 3HG LYS 14 5.195 3.110 6.845 115 HD2 LYS 14 2HD LYS 14 6.229 5.234 7.547 116 HD3 LYS 14 3HD LYS 14 5.684 5.291 5.853 117 HE2 LYS 14 2HE LYS 14 3.576 6.396 6.649 118 HE3 LYS 14 3HE LYS 14 4.297 6.480 8.273 119 HZ1 LYS 14 3HZ LYS 14 5.399 7.736 5.842 120 HZ2 LYS 14 1HZ LYS 14 4.609 8.526 7.055 121 HZ3 LYS 14 2HZ LYS 14 6.068 7.814 7.348 122 H ALA 15 H ALA 15 1.679 2.357 3.959 123 HA ALA 15 HA ALA 15 -0.546 4.170 4.146 124 HB1 ALA 15 3HB ALA 15 0.134 2.111 2.017 125 HB2 ALA 15 1HB ALA 15 -1.054 3.425 1.852 126 HB3 ALA 15 2HB ALA 15 0.674 3.807 2.048 127 H ILE 16 H ILE 16 -0.266 0.640 4.261 128 HA ILE 16 HA ILE 16 -3.147 0.226 3.928 129 HB ILE 16 HB ILE 16 -1.013 -1.714 4.927 130 HG12 ILE 16 2HG1 ILE 16 -0.209 -1.074 2.879 131 HG13 ILE 16 3HG1 ILE 16 -1.129 -2.563 2.557 132 HG21 ILE 16 1HG2 ILE 16 -2.605 -3.434 4.145 133 HG22 ILE 16 2HG2 ILE 16 -3.342 -2.399 5.390 134 HG23 ILE 16 3HG2 ILE 16 -3.753 -2.159 3.676 135 HD11 ILE 16 3HD1 ILE 16 -2.098 0.272 2.048 136 HD12 ILE 16 1HD1 ILE 16 -1.531 -0.873 0.810 137 HD13 ILE 16 2HD1 ILE 16 -3.018 -1.216 1.726 138 H GLU 17 H GLU 17 -1.063 0.847 6.602 139 HA GLU 17 HA GLU 17 -2.430 -0.341 8.738 140 HB2 GLU 17 2HB GLU 17 -1.145 2.377 8.492 141 HB3 GLU 17 3HB GLU 17 -1.773 1.724 10.024 142 HG2 GLU 17 2HG GLU 17 0.523 0.500 8.376 143 HG3 GLU 17 3HG GLU 17 0.581 1.463 9.871 144 H GLU 18 H GLU 18 -3.346 2.530 6.890 145 HA GLU 18 HA GLU 18 -5.607 3.225 8.548 146 HB2 GLU 18 2HB GLU 18 -5.051 3.712 5.618 147 HB3 GLU 18 3HB GLU 18 -6.377 4.449 6.550 148 HG2 GLU 18 2HG GLU 18 -3.372 4.944 6.987 149 HG3 GLU 18 3HG GLU 18 -4.626 5.992 6.287 150 H LEU 19 H LEU 19 -5.216 1.093 5.743 151 HA LEU 19 HA LEU 19 -8.009 0.435 5.498 152 HB2 LEU 19 2HB LEU 19 -5.431 -0.572 4.679 153 HB3 LEU 19 3HB LEU 19 -6.708 -1.804 4.546 154 HG LEU 19 HG LEU 19 -7.940 -0.469 2.977 155 HD11 LEU 19 1HD1 LEU 19 -7.127 1.791 2.252 156 HD12 LEU 19 2HD1 LEU 19 -7.482 1.760 3.994 157 HD13 LEU 19 3HD1 LEU 19 -5.797 1.672 3.427 158 HD21 LEU 19 3HD2 LEU 19 -6.139 -1.788 2.031 159 HD22 LEU 19 1HD2 LEU 19 -6.338 -0.281 1.106 160 HD23 LEU 19 2HD2 LEU 19 -4.995 -0.445 2.264 161 H LYS 20 H LYS 20 -5.377 -0.929 7.435 162 HA LYS 20 HA LYS 20 -6.897 -3.083 8.574 163 HB2 LYS 20 2HB LYS 20 -4.652 -1.434 9.746 164 HB3 LYS 20 3HB LYS 20 -5.271 -2.965 10.407 165 HG2 LYS 20 2HG LYS 20 -4.600 -4.100 8.290 166 HG3 LYS 20 3HG LYS 20 -3.880 -2.570 7.738 167 HD2 LYS 20 2HD LYS 20 -2.427 -2.590 9.780 168 HD3 LYS 20 3HD LYS 20 -3.071 -4.203 10.165 169 HE2 LYS 20 2HE LYS 20 -2.184 -5.110 8.107 170 HE3 LYS 20 3HE LYS 20 -1.672 -3.493 7.571 171 HZ1 LYS 20 3HZ LYS 20 -0.610 -4.938 9.914 172 HZ2 LYS 20 1HZ LYS 20 0.163 -4.755 8.469 173 HZ3 LYS 20 2HZ LYS 20 -0.134 -3.438 9.417 174 H LYS 21 H LYS 21 -6.545 0.326 9.502 175 HA LYS 21 HA LYS 21 -8.260 0.163 11.814 176 HB2 LYS 21 2HB LYS 21 -7.582 2.421 9.927 177 HB3 LYS 21 3HB LYS 21 -8.571 2.610 11.395 178 HG2 LYS 21 2HG LYS 21 -6.700 1.945 12.795 179 HG3 LYS 21 3HG LYS 21 -5.706 1.607 11.357 180 HD2 LYS 21 2HD LYS 21 -6.006 4.035 10.709 181 HD3 LYS 21 3HD LYS 21 -6.741 4.294 12.310 182 HE2 LYS 21 2HE LYS 21 -4.718 3.642 13.426 183 HE3 LYS 21 3HE LYS 21 -3.983 3.110 11.896 184 HZ1 LYS 21 3HZ LYS 21 -4.699 5.889 12.580 185 HZ2 LYS 21 1HZ LYS 21 -3.171 5.267 12.572 186 HZ3 LYS 21 2HZ LYS 21 -4.016 5.397 11.160 187 H ALA 22 H ALA 22 -8.885 0.300 8.383 188 HA ALA 22 HA ALA 22 -11.686 1.097 8.798 189 HB1 ALA 22 3HB ALA 22 -10.184 0.298 6.282 190 HB2 ALA 22 1HB ALA 22 -11.837 0.953 6.342 191 HB3 ALA 22 2HB ALA 22 -10.462 1.960 6.854 192 H GLY 23 H GLY 23 -9.945 -1.759 8.973 193 HA2 GLY 23 2HA GLY 23 -10.859 -3.836 9.594 194 HA3 GLY 23 3HA GLY 23 -12.467 -3.272 9.085 195 H ILE 24 H ILE 24 -9.818 -2.777 6.912 196 HA ILE 24 HA ILE 24 -10.981 -4.638 4.945 197 HB ILE 24 HB ILE 24 -8.426 -2.968 4.854 198 HG12 ILE 24 2HG1 ILE 24 -10.371 -1.586 5.109 199 HG13 ILE 24 3HG1 ILE 24 -9.647 -1.421 3.493 200 HG21 ILE 24 1HG2 ILE 24 -8.553 -3.356 2.416 201 HG22 ILE 24 2HG2 ILE 24 -8.402 -4.892 3.301 202 HG23 ILE 24 3HG2 ILE 24 -9.982 -4.390 2.655 203 HD11 ILE 24 3HD1 ILE 24 -12.125 -3.042 4.172 204 HD12 ILE 24 1HD1 ILE 24 -12.106 -1.457 3.365 205 HD13 ILE 24 2HD1 ILE 24 -11.400 -2.876 2.556 206 H THR 25 H THR 25 -10.533 -6.620 4.555 207 HA THR 25 HA THR 25 -8.129 -7.770 5.938 208 HB THR 25 HB THR 25 -9.435 -9.857 6.204 209 HG1 THR 25 HG1 THR 25 -11.718 -9.732 5.778 210 HG21 THR 25 3HG2 THR 25 -10.847 -7.407 7.330 211 HG22 THR 25 1HG2 THR 25 -10.981 -9.065 7.960 212 HG23 THR 25 2HG2 THR 25 -9.424 -8.205 8.041 213 H SER 26 H SER 26 -9.077 -6.876 3.026 214 HA SER 26 HA SER 26 -8.791 -9.341 1.435 215 HB2 SER 26 2HB SER 26 -10.204 -7.657 0.699 216 HB3 SER 26 3HB SER 26 -8.864 -6.489 0.657 217 HG SER 26 HG SER 26 -9.082 -8.874 -0.863 218 H ASP 27 H ASP 27 -6.789 -10.295 1.738 219 HA ASP 27 HA ASP 27 -4.298 -8.802 1.693 220 HB2 ASP 27 2HB ASP 27 -4.873 -11.799 1.294 221 HB3 ASP 27 3HB ASP 27 -3.318 -10.935 1.238 222 H TYR 28 H TYR 28 -6.451 -9.994 -0.741 223 HA TYR 28 HA TYR 28 -4.690 -10.212 -2.954 224 HB2 TYR 28 2HB TYR 28 -7.013 -10.865 -3.071 225 HB3 TYR 28 3HB TYR 28 -7.527 -9.183 -2.794 226 HD1 TYR 28 HD1 TYR 28 -5.801 -11.418 -5.221 227 HD2 TYR 28 HD2 TYR 28 -7.716 -7.660 -4.604 228 HE1 TYR 28 HE1 TYR 28 -5.773 -11.013 -7.665 229 HE2 TYR 28 HE2 TYR 28 -7.698 -7.238 -7.040 230 HH TYR 28 HH TYR 28 -7.115 -8.033 -9.094 231 H TYR 29 H TYR 29 -6.522 -7.321 -1.908 232 HA TYR 29 HA TYR 29 -5.182 -5.624 -3.849 233 HB2 TYR 29 2HB TYR 29 -6.838 -5.021 -1.393 234 HB3 TYR 29 3HB TYR 29 -6.223 -3.788 -2.521 235 HD1 TYR 29 HD2 TYR 29 -6.836 -4.257 -5.070 236 HD2 TYR 29 HD1 TYR 29 -8.997 -5.815 -1.741 237 HE1 TYR 29 HE2 TYR 29 -8.815 -4.577 -6.517 238 HE2 TYR 29 HE1 TYR 29 -10.990 -6.143 -3.176 239 HH TYR 29 HH TYR 29 -10.976 -5.284 -6.638 240 H PHE 30 H PHE 30 -4.584 -6.502 -0.503 241 HA PHE 30 HA PHE 30 -2.525 -4.568 0.020 242 HB2 PHE 30 2HB PHE 30 -2.938 -7.402 1.067 243 HB3 PHE 30 3HB PHE 30 -1.736 -6.256 1.703 244 HD1 PHE 30 HD2 PHE 30 -4.637 -4.532 0.675 245 HD2 PHE 30 HD1 PHE 30 -3.038 -6.935 3.824 246 HE1 PHE 30 HE2 PHE 30 -6.329 -3.617 2.228 247 HE2 PHE 30 HE1 PHE 30 -4.729 -6.024 5.381 248 HZ PHE 30 HZ PHE 30 -6.375 -4.366 4.583 249 H ASP 31 H ASP 31 -2.564 -7.541 -1.830 250 HA ASP 31 HA ASP 31 0.321 -7.760 -2.074 251 HB2 ASP 31 2HB ASP 31 -1.961 -8.922 -3.782 252 HB3 ASP 31 3HB ASP 31 -0.201 -9.067 -4.017 253 H LEU 32 H LEU 32 -2.157 -5.933 -3.749 254 HA LEU 32 HA LEU 32 -0.710 -5.566 -6.203 255 HB2 LEU 32 2HB LEU 32 -2.972 -4.468 -4.798 256 HB3 LEU 32 3HB LEU 32 -2.373 -3.356 -6.051 257 HG LEU 32 HG LEU 32 -2.631 -5.197 -7.727 258 HD11 LEU 32 1HD1 LEU 32 -4.057 -7.160 -7.087 259 HD12 LEU 32 2HD1 LEU 32 -2.560 -7.109 -6.127 260 HD13 LEU 32 3HD1 LEU 32 -4.096 -6.565 -5.411 261 HD21 LEU 32 3HD2 LEU 32 -4.323 -3.474 -7.515 262 HD22 LEU 32 1HD2 LEU 32 -5.090 -5.036 -7.893 263 HD23 LEU 32 2HD2 LEU 32 -5.144 -4.396 -6.232 264 H ILE 33 H ILE 33 -0.755 -3.769 -3.167 265 HA ILE 33 HA ILE 33 0.904 -1.584 -4.171 266 HB ILE 33 HB ILE 33 1.205 -1.026 -1.781 267 HG12 ILE 33 2HG1 ILE 33 -0.537 -3.212 -0.858 268 HG13 ILE 33 3HG1 ILE 33 1.118 -3.660 -1.334 269 HG21 ILE 33 1HG2 ILE 33 -1.168 -0.696 -1.171 270 HG22 ILE 33 2HG2 ILE 33 -0.891 -0.325 -2.888 271 HG23 ILE 33 3HG2 ILE 33 -1.652 -1.864 -2.423 272 HD11 ILE 33 3HD1 ILE 33 0.367 -1.549 0.720 273 HD12 ILE 33 1HD1 ILE 33 0.986 -3.178 1.078 274 HD13 ILE 33 2HD1 ILE 33 2.022 -1.996 0.243 275 H ASN 34 H ASN 34 1.550 -4.799 -3.082 276 HA ASN 34 HA ASN 34 4.431 -4.336 -2.807 277 HB2 ASN 34 2HB ASN 34 2.977 -7.071 -3.114 278 HB3 ASN 34 3HB ASN 34 4.665 -6.519 -2.984 279 HD21 ASN 34 1HD2 ASN 34 2.834 -8.166 -1.248 280 HD22 ASN 34 2HD2 ASN 34 2.968 -7.446 0.323 281 H LYS 35 H LYS 35 2.256 -5.453 -5.388 282 HA LYS 35 HA LYS 35 4.322 -5.637 -7.397 283 HB2 LYS 35 2HB LYS 35 1.361 -5.073 -7.527 284 HB3 LYS 35 3HB LYS 35 2.402 -5.214 -8.964 285 HG2 LYS 35 2HG LYS 35 2.960 -7.524 -8.345 286 HG3 LYS 35 3HG LYS 35 1.943 -7.387 -6.892 287 HD2 LYS 35 2HD LYS 35 -0.034 -7.008 -8.305 288 HD3 LYS 35 3HD LYS 35 0.981 -7.131 -9.762 289 HE2 LYS 35 2HE LYS 35 1.566 -9.440 -9.165 290 HE3 LYS 35 3HE LYS 35 0.562 -9.320 -7.703 291 HZ1 LYS 35 3HZ LYS 35 -0.418 -9.107 -10.477 292 HZ2 LYS 35 1HZ LYS 35 -0.602 -10.418 -9.492 293 HZ3 LYS 35 2HZ LYS 35 -1.351 -8.995 -9.120 294 H ALA 36 H ALA 36 2.883 -2.978 -5.766 295 HA ALA 36 HA ALA 36 3.229 -1.057 -7.914 296 HB1 ALA 36 3HB ALA 36 2.853 -0.646 -4.928 297 HB2 ALA 36 1HB ALA 36 2.741 0.618 -6.174 298 HB3 ALA 36 2HB ALA 36 1.560 -0.714 -6.149 299 H LYS 37 H LYS 37 5.444 -1.747 -8.447 300 HA LYS 37 HA LYS 37 7.646 -1.299 -6.672 301 HB2 LYS 37 2HB LYS 37 7.611 -2.579 -8.853 302 HB3 LYS 37 3HB LYS 37 7.670 -1.001 -9.672 303 HG2 LYS 37 2HG LYS 37 9.822 -0.504 -8.686 304 HG3 LYS 37 3HG LYS 37 9.748 -1.975 -7.686 305 HD2 LYS 37 2HD LYS 37 9.707 -3.337 -9.778 306 HD3 LYS 37 3HD LYS 37 9.922 -1.839 -10.715 307 HE2 LYS 37 2HE LYS 37 12.053 -1.418 -9.605 308 HE3 LYS 37 3HE LYS 37 11.832 -2.862 -8.591 309 HZ1 LYS 37 3HZ LYS 37 12.112 -2.856 -11.528 310 HZ2 LYS 37 1HZ LYS 37 13.284 -3.297 -10.454 311 HZ3 LYS 37 2HZ LYS 37 11.907 -4.196 -10.588 312 H THR 38 H THR 38 5.507 0.923 -8.017 313 HA THR 38 HA THR 38 7.458 3.119 -7.407 314 HB THR 38 HB THR 38 6.001 4.623 -8.622 315 HG1 THR 38 HG1 THR 38 4.163 3.311 -9.771 316 HG21 THR 38 3HG2 THR 38 6.354 2.036 -10.187 317 HG22 THR 38 1HG2 THR 38 6.088 3.648 -10.890 318 HG23 THR 38 2HG2 THR 38 7.584 3.305 -9.988 319 H VAL 39 H VAL 39 6.890 4.802 -6.060 320 HA VAL 39 HA VAL 39 5.207 4.109 -3.785 321 HB VAL 39 HB VAL 39 6.430 6.754 -4.676 322 HG11 VAL 39 1HG1 VAL 39 5.927 7.519 -2.379 323 HG12 VAL 39 2HG1 VAL 39 4.435 7.106 -3.257 324 HG13 VAL 39 3HG1 VAL 39 5.097 5.980 -2.048 325 HG21 VAL 39 3HG2 VAL 39 8.087 5.074 -4.125 326 HG22 VAL 39 1HG2 VAL 39 8.037 6.345 -2.881 327 HG23 VAL 39 2HG2 VAL 39 7.283 4.763 -2.568 328 H GLU 40 H GLU 40 4.710 6.070 -6.681 329 HA GLU 40 HA GLU 40 2.187 7.172 -5.840 330 HB2 GLU 40 2HB GLU 40 3.374 6.623 -8.562 331 HB3 GLU 40 3HB GLU 40 1.823 7.458 -8.303 332 HG2 GLU 40 2HG GLU 40 3.042 9.300 -7.073 333 HG3 GLU 40 3HG GLU 40 4.502 8.305 -7.282 334 H GLY 41 H GLY 41 3.071 4.143 -7.421 335 HA2 GLY 41 2HA GLY 41 0.456 3.275 -8.110 336 HA3 GLY 41 3HA GLY 41 1.837 2.216 -7.741 337 H VAL 42 H VAL 42 2.344 2.859 -5.102 338 HA VAL 42 HA VAL 42 0.474 1.130 -3.767 339 HB VAL 42 HB VAL 42 2.502 3.111 -2.652 340 HG11 VAL 42 1HG1 VAL 42 2.259 1.852 -0.538 341 HG12 VAL 42 2HG1 VAL 42 0.722 2.615 -1.009 342 HG13 VAL 42 3HG1 VAL 42 0.968 0.871 -1.270 343 HG21 VAL 42 3HG2 VAL 42 3.510 1.357 -3.986 344 HG22 VAL 42 1HG2 VAL 42 3.870 1.125 -2.259 345 HG23 VAL 42 2HG2 VAL 42 2.636 0.119 -3.053 346 H ASN 43 H ASN 43 0.724 4.666 -3.829 347 HA ASN 43 HA ASN 43 -1.522 5.011 -2.007 348 HB2 ASN 43 2HB ASN 43 0.352 6.899 -2.556 349 HB3 ASN 43 3HB ASN 43 -0.604 6.767 -4.053 350 HD21 ASN 43 1HD2 ASN 43 -1.727 8.546 -4.232 351 HD22 ASN 43 2HD2 ASN 43 -2.717 9.257 -3.001 352 H ALA 44 H ALA 44 -1.137 5.020 -5.535 353 HA ALA 44 HA ALA 44 -3.820 5.880 -6.078 354 HB1 ALA 44 3HB ALA 44 -1.901 4.269 -7.796 355 HB2 ALA 44 1HB ALA 44 -3.380 5.076 -8.365 356 HB3 ALA 44 2HB ALA 44 -2.023 6.043 -7.741 357 H LEU 45 H LEU 45 -2.333 2.639 -5.956 358 HA LEU 45 HA LEU 45 -4.717 1.185 -6.574 359 HB2 LEU 45 2HB LEU 45 -2.404 0.554 -4.859 360 HB3 LEU 45 3HB LEU 45 -3.495 -0.736 -5.414 361 HG LEU 45 HG LEU 45 -2.070 1.009 -7.415 362 HD11 LEU 45 1HD1 LEU 45 -0.193 -0.655 -7.469 363 HD12 LEU 45 2HD1 LEU 45 -0.294 0.153 -5.888 364 HD13 LEU 45 3HD1 LEU 45 -0.923 -1.501 -6.085 365 HD21 LEU 45 3HD2 LEU 45 -3.835 -0.456 -8.199 366 HD22 LEU 45 1HD2 LEU 45 -2.263 -1.016 -8.818 367 HD23 LEU 45 2HD2 LEU 45 -3.037 -1.864 -7.456 368 H LYS 46 H LYS 46 -3.280 1.957 -3.394 369 HA LYS 46 HA LYS 46 -5.378 0.744 -1.871 370 HB2 LYS 46 2HB LYS 46 -3.035 1.563 -1.168 371 HB3 LYS 46 3HB LYS 46 -3.818 3.150 -0.977 372 HG2 LYS 46 2HG LYS 46 -5.528 1.820 0.498 373 HG3 LYS 46 3HG LYS 46 -4.224 0.613 0.595 374 HD2 LYS 46 2HD LYS 46 -3.921 2.003 2.486 375 HD3 LYS 46 3HD LYS 46 -2.699 2.535 1.307 376 HE2 LYS 46 2HE LYS 46 -4.166 4.376 0.609 377 HE3 LYS 46 3HE LYS 46 -5.396 3.843 1.778 378 HZ1 LYS 46 3HZ LYS 46 -2.683 4.784 2.455 379 HZ2 LYS 46 1HZ LYS 46 -4.073 5.651 2.642 380 HZ3 LYS 46 2HZ LYS 46 -3.823 4.289 3.539 381 H ASP 47 H ASP 47 -5.107 3.902 -3.378 382 HA ASP 47 HA ASP 47 -6.889 5.402 -1.826 383 HB2 ASP 47 2HB ASP 47 -5.518 6.151 -3.962 384 HB3 ASP 47 3HB ASP 47 -6.905 5.374 -4.767 385 H GLU 48 H GLU 48 -7.671 3.076 -4.388 386 HA GLU 48 HA GLU 48 -10.510 3.557 -4.348 387 HB2 GLU 48 2HB GLU 48 -8.855 1.153 -5.121 388 HB3 GLU 48 3HB GLU 48 -10.621 1.255 -5.326 389 HG2 GLU 48 2HG GLU 48 -10.306 3.186 -6.922 390 HG3 GLU 48 3HG GLU 48 -8.576 3.076 -6.526 391 H ILE 49 H ILE 49 -8.411 1.399 -2.487 392 HA ILE 49 HA ILE 49 -10.677 0.034 -1.214 393 HB ILE 49 HB ILE 49 -7.724 0.106 -0.439 394 HG12 ILE 49 2HG1 ILE 49 -8.000 -0.704 -2.679 395 HG13 ILE 49 3HG1 ILE 49 -7.505 -1.999 -1.565 396 HG21 ILE 49 1HG2 ILE 49 -8.259 -1.973 0.785 397 HG22 ILE 49 2HG2 ILE 49 -9.226 -0.608 1.389 398 HG23 ILE 49 3HG2 ILE 49 -9.967 -1.813 0.311 399 HD11 ILE 49 3HD1 ILE 49 -10.319 -1.533 -2.614 400 HD12 ILE 49 1HD1 ILE 49 -9.199 -2.801 -3.163 401 HD13 ILE 49 2HD1 ILE 49 -9.825 -2.828 -1.498 402 H LEU 50 H LEU 50 -8.475 2.649 -0.318 403 HA LEU 50 HA LEU 50 -9.455 2.900 2.375 404 HB2 LEU 50 2HB LEU 50 -7.429 3.742 1.639 405 HB3 LEU 50 3HB LEU 50 -8.115 4.945 0.523 406 HG LEU 50 HG LEU 50 -9.251 5.996 2.530 407 HD11 LEU 50 1HD1 LEU 50 -8.247 5.477 4.769 408 HD12 LEU 50 2HD1 LEU 50 -9.036 4.045 4.067 409 HD13 LEU 50 3HD1 LEU 50 -7.263 4.202 4.015 410 HD21 LEU 50 3HD2 LEU 50 -7.287 6.986 1.507 411 HD22 LEU 50 1HD2 LEU 50 -7.222 7.192 3.274 412 HD23 LEU 50 2HD2 LEU 50 -6.221 5.949 2.485 413 H LYS 51 H LYS 51 -10.486 4.323 -0.698 414 HA LYS 51 HA LYS 51 -12.540 5.966 0.607 415 HB2 LYS 51 2HB LYS 51 -11.921 5.278 -2.265 416 HB3 LYS 51 3HB LYS 51 -13.291 6.299 -1.769 417 HG2 LYS 51 2HG LYS 51 -11.797 7.959 -0.845 418 HG3 LYS 51 3HG LYS 51 -10.388 6.909 -1.128 419 HD2 LYS 51 2HD LYS 51 -10.672 7.075 -3.524 420 HD3 LYS 51 3HD LYS 51 -12.199 7.968 -3.321 421 HE2 LYS 51 2HE LYS 51 -11.074 9.866 -2.417 422 HE3 LYS 51 3HE LYS 51 -9.548 8.966 -2.255 423 HZ1 LYS 51 3HZ LYS 51 -10.854 9.681 -4.802 424 HZ2 LYS 51 1HZ LYS 51 -9.524 10.421 -4.165 425 HZ3 LYS 51 2HZ LYS 51 -9.440 8.847 -4.652 426 H ALA 52 H ALA 52 -12.295 2.749 -0.665 427 HA ALA 52 HA ALA 52 -15.096 2.290 -1.085 428 HB1 ALA 52 3HB ALA 52 -12.891 0.343 -0.327 429 HB2 ALA 52 1HB ALA 52 -14.502 -0.097 -0.940 430 HB3 ALA 52 2HB ALA 52 -13.368 0.796 -1.980 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 18.262 -3.998 -3.227 2 H2 GLY 1 2H GLY 1 16.987 -3.409 -3.755 3 H3 GLY 1 3H GLY 1 18.268 -2.635 -3.852 4 HA2 GLY 1 2HA GLY 1 16.408 -2.475 -1.712 5 HA3 GLY 1 3HA GLY 1 17.920 -3.173 -1.086 6 H THR 2 H THR 2 16.803 -0.479 -3.173 7 HA THR 2 HA THR 2 19.090 1.184 -2.300 8 HB THR 2 HB THR 2 18.283 2.824 -3.883 9 HG1 THR 2 HG1 THR 2 16.256 2.217 -5.060 10 HG21 THR 2 3HG2 THR 2 17.933 0.028 -5.036 11 HG22 THR 2 1HG2 THR 2 18.245 1.507 -5.973 12 HG23 THR 2 2HG2 THR 2 19.479 0.889 -4.848 13 H ILE 3 H ILE 3 18.646 3.481 -1.712 14 HA ILE 3 HA ILE 3 17.092 3.591 0.718 15 HB ILE 3 HB ILE 3 18.256 5.780 -1.060 16 HG12 ILE 3 2HG1 ILE 3 19.156 4.794 1.632 17 HG13 ILE 3 3HG1 ILE 3 19.800 4.207 0.080 18 HG21 ILE 3 1HG2 ILE 3 17.841 7.303 0.843 19 HG22 ILE 3 2HG2 ILE 3 16.317 6.636 0.212 20 HG23 ILE 3 3HG2 ILE 3 17.016 5.989 1.714 21 HD11 ILE 3 3HD1 ILE 3 19.913 7.073 1.084 22 HD12 ILE 3 1HD1 ILE 3 21.270 5.923 1.063 23 HD13 ILE 3 2HD1 ILE 3 20.558 6.488 -0.467 24 H ASP 4 H ASP 4 16.383 4.639 -2.587 25 HA ASP 4 HA ASP 4 13.819 5.787 -1.948 26 HB2 ASP 4 2HB ASP 4 14.891 4.613 -4.585 27 HB3 ASP 4 3HB ASP 4 13.306 5.350 -4.241 28 H GLU 5 H GLU 5 14.831 2.504 -2.822 29 HA GLU 5 HA GLU 5 12.136 1.429 -2.834 30 HB2 GLU 5 2HB GLU 5 14.862 0.174 -2.501 31 HB3 GLU 5 3HB GLU 5 13.342 -0.752 -2.550 32 HG2 GLU 5 2HG GLU 5 12.941 0.021 -4.904 33 HG3 GLU 5 3HG GLU 5 14.354 1.079 -4.684 34 H TRP 6 H TRP 6 14.546 1.999 -0.347 35 HA TRP 6 HA TRP 6 13.199 0.495 1.727 36 HB2 TRP 6 2HB TRP 6 15.171 2.817 1.812 37 HB3 TRP 6 3HB TRP 6 14.569 1.974 3.260 38 HD1 TRP 6 HD1 TRP 6 14.708 -0.769 1.406 39 HE1 TRP 6 HE1 TRP 6 17.097 -2.031 1.386 40 HE3 TRP 6 HE3 TRP 6 17.597 3.112 2.962 41 HZ2 TRP 6 HZ2 TRP 6 19.702 -1.318 1.970 42 HZ3 TRP 6 HZ3 TRP 6 19.983 2.819 3.225 43 HH2 TRP 6 HH2 TRP 6 21.077 0.671 2.751 44 H LEU 7 H LEU 7 13.049 3.896 0.693 45 HA LEU 7 HA LEU 7 11.084 4.694 2.632 46 HB2 LEU 7 2HB LEU 7 11.625 5.566 -0.132 47 HB3 LEU 7 3HB LEU 7 10.632 6.566 0.953 48 HG LEU 7 HG LEU 7 13.531 5.850 1.507 49 HD11 LEU 7 1HD1 LEU 7 14.079 8.177 0.748 50 HD12 LEU 7 2HD1 LEU 7 13.383 7.213 -0.575 51 HD13 LEU 7 3HD1 LEU 7 12.378 8.407 0.279 52 HD21 LEU 7 3HD2 LEU 7 12.223 6.439 3.463 53 HD22 LEU 7 1HD2 LEU 7 13.397 7.728 3.106 54 HD23 LEU 7 2HD2 LEU 7 11.681 7.944 2.682 55 H LEU 8 H LEU 8 10.760 3.451 -0.691 56 HA LEU 8 HA LEU 8 7.888 3.507 -0.714 57 HB2 LEU 8 2HB LEU 8 8.890 3.372 -2.667 58 HB3 LEU 8 3HB LEU 8 10.012 2.035 -2.323 59 HG LEU 8 HG LEU 8 8.101 0.466 -2.254 60 HD11 LEU 8 1HD1 LEU 8 5.865 1.244 -3.085 61 HD12 LEU 8 2HD1 LEU 8 6.339 2.105 -1.601 62 HD13 LEU 8 3HD1 LEU 8 6.498 2.904 -3.184 63 HD21 LEU 8 3HD2 LEU 8 9.337 0.741 -4.321 64 HD22 LEU 8 1HD2 LEU 8 7.617 0.452 -4.676 65 HD23 LEU 8 2HD2 LEU 8 8.289 2.096 -4.802 66 H LYS 9 H LYS 9 10.211 0.999 0.258 67 HA LYS 9 HA LYS 9 8.348 -1.024 0.957 68 HB2 LYS 9 2HB LYS 9 10.803 -1.268 0.940 69 HB3 LYS 9 3HB LYS 9 10.891 -0.240 2.390 70 HG2 LYS 9 2HG LYS 9 9.740 -1.881 3.715 71 HG3 LYS 9 3HG LYS 9 9.367 -2.859 2.275 72 HD2 LYS 9 2HD LYS 9 12.127 -2.314 3.423 73 HD3 LYS 9 3HD LYS 9 11.224 -3.844 3.534 74 HE2 LYS 9 2HE LYS 9 11.297 -4.116 1.128 75 HE3 LYS 9 3HE LYS 9 12.064 -2.523 0.937 76 HZ1 LYS 9 3HZ LYS 9 13.254 -4.845 2.315 77 HZ2 LYS 9 1HZ LYS 9 13.671 -4.304 0.813 78 HZ3 LYS 9 2HZ LYS 9 13.966 -3.368 2.139 79 H GLU 10 H GLU 10 9.397 1.833 2.782 80 HA GLU 10 HA GLU 10 7.724 1.204 5.085 81 HB2 GLU 10 2HB GLU 10 9.059 3.732 4.117 82 HB3 GLU 10 3HB GLU 10 8.116 3.622 5.622 83 HG2 GLU 10 2HG GLU 10 9.773 1.937 6.516 84 HG3 GLU 10 3HG GLU 10 10.547 2.032 4.917 85 H ALA 11 H ALA 11 7.307 3.039 2.102 86 HA ALA 11 HA ALA 11 4.796 4.221 2.785 87 HB1 ALA 11 3HB ALA 11 5.865 3.368 0.074 88 HB2 ALA 11 1HB ALA 11 4.485 4.453 0.353 89 HB3 ALA 11 2HB ALA 11 6.119 4.948 0.851 90 H LYS 12 H LYS 12 5.640 1.073 1.388 91 HA LYS 12 HA LYS 12 2.930 0.247 0.864 92 HB2 LYS 12 2HB LYS 12 5.448 -1.329 1.414 93 HB3 LYS 12 3HB LYS 12 3.901 -2.038 0.890 94 HG2 LYS 12 2HG LYS 12 4.047 -1.086 -1.250 95 HG3 LYS 12 3HG LYS 12 5.254 0.115 -0.734 96 HD2 LYS 12 2HD LYS 12 6.929 -1.647 -0.465 97 HD3 LYS 12 3HD LYS 12 5.724 -2.881 -0.903 98 HE2 LYS 12 2HE LYS 12 5.464 -1.778 -3.119 99 HE3 LYS 12 3HE LYS 12 6.763 -0.648 -2.674 100 HZ1 LYS 12 3HZ LYS 12 7.038 -3.578 -2.892 101 HZ2 LYS 12 1HZ LYS 12 7.588 -2.478 -3.992 102 HZ3 LYS 12 2HZ LYS 12 8.244 -2.530 -2.480 103 H GLU 13 H GLU 13 5.072 -0.189 3.669 104 HA GLU 13 HA GLU 13 3.180 -1.856 5.104 105 HB2 GLU 13 2HB GLU 13 5.582 -0.242 5.965 106 HB3 GLU 13 3HB GLU 13 4.628 -1.266 7.064 107 HG2 GLU 13 2HG GLU 13 5.269 -3.295 5.709 108 HG3 GLU 13 3HG GLU 13 6.060 -2.155 4.597 109 H LYS 14 H LYS 14 3.861 1.624 5.061 110 HA LYS 14 HA LYS 14 2.310 2.069 7.506 111 HB2 LYS 14 2HB LYS 14 3.618 3.891 5.487 112 HB3 LYS 14 3HB LYS 14 2.683 4.484 6.880 113 HG2 LYS 14 2HG LYS 14 5.111 2.679 7.110 114 HG3 LYS 14 3HG LYS 14 5.184 4.454 7.210 115 HD2 LYS 14 2HD LYS 14 3.606 2.609 9.035 116 HD3 LYS 14 3HD LYS 14 5.114 3.459 9.449 117 HE2 LYS 14 2HE LYS 14 4.067 5.584 9.341 118 HE3 LYS 14 3HE LYS 14 2.627 4.917 8.539 119 HZ1 LYS 14 3HZ LYS 14 3.456 4.364 11.317 120 HZ2 LYS 14 1HZ LYS 14 2.225 5.364 10.864 121 HZ3 LYS 14 2HZ LYS 14 2.120 3.743 10.574 122 H ALA 15 H ALA 15 1.735 2.273 4.050 123 HA ALA 15 HA ALA 15 -0.510 4.058 4.229 124 HB1 ALA 15 3HB ALA 15 0.231 2.055 2.068 125 HB2 ALA 15 1HB ALA 15 -0.959 3.367 1.906 126 HB3 ALA 15 2HB ALA 15 0.760 3.752 2.152 127 H ILE 16 H ILE 16 -0.206 0.532 4.280 128 HA ILE 16 HA ILE 16 -3.087 0.104 3.930 129 HB ILE 16 HB ILE 16 -0.934 -1.835 4.890 130 HG12 ILE 16 2HG1 ILE 16 -0.146 -1.173 2.847 131 HG13 ILE 16 3HG1 ILE 16 -1.076 -2.651 2.503 132 HG21 ILE 16 1HG2 ILE 16 -2.518 -3.557 4.095 133 HG22 ILE 16 2HG2 ILE 16 -3.254 -2.546 5.361 134 HG23 ILE 16 3HG2 ILE 16 -3.681 -2.285 3.653 135 HD11 ILE 16 3HD1 ILE 16 -2.035 0.198 2.057 136 HD12 ILE 16 1HD1 ILE 16 -1.482 -0.925 0.794 137 HD13 ILE 16 2HD1 ILE 16 -2.964 -1.280 1.713 138 H GLU 17 H GLU 17 -1.001 0.689 6.612 139 HA GLU 17 HA GLU 17 -2.433 -0.531 8.713 140 HB2 GLU 17 2HB GLU 17 -0.980 2.107 8.555 141 HB3 GLU 17 3HB GLU 17 -1.661 1.453 10.064 142 HG2 GLU 17 2HG GLU 17 -0.122 -0.549 9.857 143 HG3 GLU 17 3HG GLU 17 0.393 0.167 8.314 144 H GLU 18 H GLU 18 -3.170 2.432 6.937 145 HA GLU 18 HA GLU 18 -5.416 3.202 8.582 146 HB2 GLU 18 2HB GLU 18 -4.814 3.712 5.665 147 HB3 GLU 18 3HB GLU 18 -6.103 4.500 6.606 148 HG2 GLU 18 2HG GLU 18 -3.077 4.831 7.059 149 HG3 GLU 18 3HG GLU 18 -4.274 5.956 6.377 150 H LEU 19 H LEU 19 -5.086 1.091 5.755 151 HA LEU 19 HA LEU 19 -7.892 0.544 5.461 152 HB2 LEU 19 2HB LEU 19 -5.346 -0.525 4.674 153 HB3 LEU 19 3HB LEU 19 -6.614 -1.770 4.593 154 HG LEU 19 HG LEU 19 -7.859 -0.523 2.977 155 HD11 LEU 19 1HD1 LEU 19 -7.124 1.745 2.199 156 HD12 LEU 19 2HD1 LEU 19 -7.484 1.744 3.942 157 HD13 LEU 19 3HD1 LEU 19 -5.795 1.702 3.380 158 HD21 LEU 19 3HD2 LEU 19 -6.010 -1.801 2.068 159 HD22 LEU 19 1HD2 LEU 19 -6.259 -0.325 1.106 160 HD23 LEU 19 2HD2 LEU 19 -4.915 -0.413 2.270 161 H LYS 20 H LYS 20 -5.354 -0.983 7.416 162 HA LYS 20 HA LYS 20 -6.993 -3.045 8.540 163 HB2 LYS 20 2HB LYS 20 -4.685 -1.512 9.748 164 HB3 LYS 20 3HB LYS 20 -5.386 -3.016 10.393 165 HG2 LYS 20 2HG LYS 20 -4.752 -4.154 8.252 166 HG3 LYS 20 3HG LYS 20 -3.922 -2.660 7.757 167 HD2 LYS 20 2HD LYS 20 -2.497 -2.815 9.785 168 HD3 LYS 20 3HD LYS 20 -3.292 -4.353 10.200 169 HE2 LYS 20 2HE LYS 20 -2.498 -5.348 8.112 170 HE3 LYS 20 3HE LYS 20 -1.743 -3.806 7.649 171 HZ1 LYS 20 3HZ LYS 20 -1.006 -5.439 9.992 172 HZ2 LYS 20 1HZ LYS 20 -0.145 -5.332 8.589 173 HZ3 LYS 20 2HZ LYS 20 -0.305 -4.009 9.563 174 H LYS 21 H LYS 21 -6.505 0.343 9.472 175 HA LYS 21 HA LYS 21 -8.246 0.244 11.772 176 HB2 LYS 21 2HB LYS 21 -7.441 2.483 9.913 177 HB3 LYS 21 3HB LYS 21 -8.429 2.705 11.376 178 HG2 LYS 21 2HG LYS 21 -6.603 1.940 12.782 179 HG3 LYS 21 3HG LYS 21 -5.617 1.561 11.349 180 HD2 LYS 21 2HD LYS 21 -5.773 4.000 10.715 181 HD3 LYS 21 3HD LYS 21 -6.529 4.294 12.299 182 HE2 LYS 21 2HE LYS 21 -4.566 3.530 13.457 183 HE3 LYS 21 3HE LYS 21 -3.824 2.977 11.939 184 HZ1 LYS 21 3HZ LYS 21 -4.421 5.782 12.632 185 HZ2 LYS 21 1HZ LYS 21 -2.925 5.086 12.651 186 HZ3 LYS 21 2HZ LYS 21 -3.732 5.269 11.223 187 H ALA 22 H ALA 22 -8.820 0.434 8.335 188 HA ALA 22 HA ALA 22 -11.576 1.392 8.722 189 HB1 ALA 22 3HB ALA 22 -10.088 0.534 6.217 190 HB2 ALA 22 1HB ALA 22 -11.700 1.284 6.263 191 HB3 ALA 22 2HB ALA 22 -10.277 2.203 6.805 192 H GLY 23 H GLY 23 -10.022 -1.557 8.924 193 HA2 GLY 23 2HA GLY 23 -11.128 -3.548 9.562 194 HA3 GLY 23 3HA GLY 23 -12.646 -2.914 8.886 195 H ILE 24 H ILE 24 -9.838 -2.572 6.922 196 HA ILE 24 HA ILE 24 -10.890 -4.548 4.981 197 HB ILE 24 HB ILE 24 -8.435 -2.737 4.855 198 HG12 ILE 24 2HG1 ILE 24 -10.459 -1.455 5.039 199 HG13 ILE 24 3HG1 ILE 24 -9.717 -1.306 3.429 200 HG21 ILE 24 1HG2 ILE 24 -8.515 -3.224 2.434 201 HG22 ILE 24 2HG2 ILE 24 -8.293 -4.714 3.379 202 HG23 ILE 24 3HG2 ILE 24 -9.890 -4.321 2.699 203 HD11 ILE 24 3HD1 ILE 24 -12.116 -3.034 4.127 204 HD12 ILE 24 1HD1 ILE 24 -12.170 -1.480 3.265 205 HD13 ILE 24 2HD1 ILE 24 -11.374 -2.885 2.517 206 H THR 25 H THR 25 -10.308 -6.511 4.695 207 HA THR 25 HA THR 25 -7.745 -7.408 5.968 208 HB THR 25 HB THR 25 -8.871 -9.539 6.551 209 HG1 THR 25 HG1 THR 25 -11.193 -9.568 6.412 210 HG21 THR 25 3HG2 THR 25 -10.284 -7.081 7.659 211 HG22 THR 25 1HG2 THR 25 -10.237 -8.686 8.424 212 HG23 THR 25 2HG2 THR 25 -8.738 -7.742 8.241 213 H SER 26 H SER 26 -8.848 -6.736 3.140 214 HA SER 26 HA SER 26 -8.747 -9.260 1.640 215 HB2 SER 26 2HB SER 26 -10.059 -7.553 0.843 216 HB3 SER 26 3HB SER 26 -8.682 -6.429 0.791 217 HG SER 26 HG SER 26 -8.985 -8.819 -0.707 218 H ASP 27 H ASP 27 -6.826 -10.361 1.845 219 HA ASP 27 HA ASP 27 -4.220 -9.109 1.725 220 HB2 ASP 27 2HB ASP 27 -5.089 -12.015 1.203 221 HB3 ASP 27 3HB ASP 27 -3.462 -11.295 1.123 222 H TYR 28 H TYR 28 -6.530 -10.117 -0.686 223 HA TYR 28 HA TYR 28 -4.827 -10.303 -2.950 224 HB2 TYR 28 2HB TYR 28 -7.166 -10.932 -3.005 225 HB3 TYR 28 3HB TYR 28 -7.647 -9.244 -2.702 226 HD1 TYR 28 HD1 TYR 28 -6.034 -11.497 -5.188 227 HD2 TYR 28 HD2 TYR 28 -7.832 -7.693 -4.495 228 HE1 TYR 28 HE1 TYR 28 -6.056 -11.072 -7.628 229 HE2 TYR 28 HE2 TYR 28 -7.863 -7.252 -6.927 230 HH TYR 28 HH TYR 28 -7.353 -8.045 -9.000 231 H TYR 29 H TYR 29 -6.624 -7.425 -1.808 232 HA TYR 29 HA TYR 29 -5.331 -5.712 -3.769 233 HB2 TYR 29 2HB TYR 29 -6.972 -5.154 -1.295 234 HB3 TYR 29 3HB TYR 29 -6.353 -3.890 -2.385 235 HD1 TYR 29 HD2 TYR 29 -6.931 -4.372 -4.971 236 HD2 TYR 29 HD1 TYR 29 -9.160 -5.850 -1.649 237 HE1 TYR 29 HE2 TYR 29 -8.905 -4.649 -6.432 238 HE2 TYR 29 HE1 TYR 29 -11.148 -6.134 -3.099 239 HH TYR 29 HH TYR 29 -12.007 -5.914 -5.190 240 H PHE 30 H PHE 30 -4.685 -6.580 -0.423 241 HA PHE 30 HA PHE 30 -2.602 -4.658 0.050 242 HB2 PHE 30 2HB PHE 30 -3.037 -7.478 1.121 243 HB3 PHE 30 3HB PHE 30 -1.785 -6.364 1.714 244 HD1 PHE 30 HD2 PHE 30 -4.676 -4.572 0.764 245 HD2 PHE 30 HD1 PHE 30 -3.032 -6.988 3.881 246 HE1 PHE 30 HE2 PHE 30 -6.292 -3.604 2.364 247 HE2 PHE 30 HE1 PHE 30 -4.650 -6.025 5.483 248 HZ PHE 30 HZ PHE 30 -6.280 -4.332 4.725 249 H ASP 31 H ASP 31 -2.702 -7.628 -1.797 250 HA ASP 31 HA ASP 31 0.174 -7.877 -2.102 251 HB2 ASP 31 2HB ASP 31 -1.660 -9.719 -2.582 252 HB3 ASP 31 3HB ASP 31 -1.913 -8.685 -4.010 253 H LEU 32 H LEU 32 -2.313 -6.007 -3.720 254 HA LEU 32 HA LEU 32 -0.944 -5.728 -6.227 255 HB2 LEU 32 2HB LEU 32 -3.153 -4.598 -4.788 256 HB3 LEU 32 3HB LEU 32 -2.565 -3.467 -6.029 257 HG LEU 32 HG LEU 32 -2.837 -5.321 -7.718 258 HD11 LEU 32 1HD1 LEU 32 -4.353 -7.215 -7.082 259 HD12 LEU 32 2HD1 LEU 32 -2.865 -7.222 -6.105 260 HD13 LEU 32 3HD1 LEU 32 -4.385 -6.608 -5.411 261 HD21 LEU 32 3HD2 LEU 32 -4.457 -3.527 -7.541 262 HD22 LEU 32 1HD2 LEU 32 -5.285 -5.057 -7.916 263 HD23 LEU 32 2HD2 LEU 32 -5.330 -4.402 -6.262 264 H ILE 33 H ILE 33 -0.808 -3.891 -3.227 265 HA ILE 33 HA ILE 33 0.764 -1.703 -4.342 266 HB ILE 33 HB ILE 33 1.253 -1.170 -1.963 267 HG12 ILE 33 2HG1 ILE 33 -0.476 -3.381 -1.024 268 HG13 ILE 33 3HG1 ILE 33 1.195 -3.766 -1.499 269 HG21 ILE 33 1HG2 ILE 33 -1.071 -0.786 -1.217 270 HG22 ILE 33 2HG2 ILE 33 -0.881 -0.405 -2.944 271 HG23 ILE 33 3HG2 ILE 33 -1.656 -1.928 -2.449 272 HD11 ILE 33 3HD1 ILE 33 0.366 -1.706 0.577 273 HD12 ILE 33 1HD1 ILE 33 1.038 -3.317 0.918 274 HD13 ILE 33 2HD1 ILE 33 2.037 -2.091 0.100 275 H ASN 34 H ASN 34 1.506 -4.919 -3.403 276 HA ASN 34 HA ASN 34 4.356 -4.420 -2.980 277 HB2 ASN 34 2HB ASN 34 2.966 -7.165 -3.453 278 HB3 ASN 34 3HB ASN 34 4.637 -6.594 -3.222 279 HD21 ASN 34 1HD2 ASN 34 2.649 -8.286 -1.644 280 HD22 ASN 34 2HD2 ASN 34 2.734 -7.632 -0.042 281 H LYS 35 H LYS 35 2.333 -5.429 -5.715 282 HA LYS 35 HA LYS 35 4.503 -5.572 -7.614 283 HB2 LYS 35 2HB LYS 35 2.220 -6.443 -7.989 284 HB3 LYS 35 3HB LYS 35 1.620 -4.768 -8.037 285 HG2 LYS 35 2HG LYS 35 2.946 -4.309 -10.025 286 HG3 LYS 35 3HG LYS 35 3.668 -5.933 -9.951 287 HD2 LYS 35 2HD LYS 35 1.447 -6.940 -10.289 288 HD3 LYS 35 3HD LYS 35 0.723 -5.316 -10.362 289 HE2 LYS 35 2HE LYS 35 2.101 -4.792 -12.332 290 HE3 LYS 35 3HE LYS 35 2.814 -6.420 -12.263 291 HZ1 LYS 35 3HZ LYS 35 -0.039 -5.817 -12.709 292 HZ2 LYS 35 1HZ LYS 35 1.032 -6.298 -13.868 293 HZ3 LYS 35 2HZ LYS 35 0.622 -7.327 -12.645 294 H ALA 36 H ALA 36 2.976 -2.935 -5.994 295 HA ALA 36 HA ALA 36 3.366 -0.997 -8.113 296 HB1 ALA 36 3HB ALA 36 2.845 -0.607 -5.146 297 HB2 ALA 36 1HB ALA 36 2.742 0.655 -6.394 298 HB3 ALA 36 2HB ALA 36 1.609 -0.717 -6.422 299 H LYS 37 H LYS 37 5.615 -1.572 -8.569 300 HA LYS 37 HA LYS 37 7.724 -1.101 -6.684 301 HB2 LYS 37 2HB LYS 37 7.805 -2.342 -8.898 302 HB3 LYS 37 3HB LYS 37 7.894 -0.741 -9.672 303 HG2 LYS 37 2HG LYS 37 9.983 -0.252 -8.558 304 HG3 LYS 37 3HG LYS 37 9.869 -1.748 -7.600 305 HD2 LYS 37 2HD LYS 37 9.948 -3.053 -9.732 306 HD3 LYS 37 3HD LYS 37 10.219 -1.528 -10.607 307 HE2 LYS 37 2HE LYS 37 12.275 -1.144 -9.349 308 HE3 LYS 37 3HE LYS 37 11.995 -2.626 -8.407 309 HZ1 LYS 37 3HZ LYS 37 12.457 -2.508 -11.317 310 HZ2 LYS 37 1HZ LYS 37 13.560 -2.990 -10.191 311 HZ3 LYS 37 2HZ LYS 37 12.196 -3.882 -10.444 312 H THR 38 H THR 38 5.575 1.084 -8.042 313 HA THR 38 HA THR 38 7.453 3.319 -7.346 314 HB THR 38 HB THR 38 5.985 4.808 -8.565 315 HG1 THR 38 HG1 THR 38 4.344 2.592 -9.267 316 HG21 THR 38 3HG2 THR 38 6.441 2.264 -10.172 317 HG22 THR 38 1HG2 THR 38 6.149 3.883 -10.850 318 HG23 THR 38 2HG2 THR 38 7.633 3.560 -9.920 319 H VAL 39 H VAL 39 6.814 4.953 -5.972 320 HA VAL 39 HA VAL 39 5.073 4.193 -3.767 321 HB VAL 39 HB VAL 39 6.242 6.884 -4.592 322 HG11 VAL 39 1HG1 VAL 39 5.647 7.607 -2.305 323 HG12 VAL 39 2HG1 VAL 39 4.196 7.158 -3.233 324 HG13 VAL 39 3HG1 VAL 39 4.856 6.039 -2.014 325 HG21 VAL 39 3HG2 VAL 39 7.934 5.251 -4.009 326 HG22 VAL 39 1HG2 VAL 39 7.807 6.504 -2.754 327 HG23 VAL 39 2HG2 VAL 39 7.093 4.897 -2.480 328 H GLU 40 H GLU 40 4.609 6.149 -6.668 329 HA GLU 40 HA GLU 40 2.040 7.191 -5.900 330 HB2 GLU 40 2HB GLU 40 3.312 6.666 -8.586 331 HB3 GLU 40 3HB GLU 40 1.736 7.464 -8.373 332 HG2 GLU 40 2HG GLU 40 2.877 9.335 -7.113 333 HG3 GLU 40 3HG GLU 40 4.365 8.375 -7.282 334 H GLY 41 H GLY 41 3.030 4.193 -7.485 335 HA2 GLY 41 2HA GLY 41 0.443 3.260 -8.200 336 HA3 GLY 41 3HA GLY 41 1.852 2.236 -7.835 337 H VAL 42 H VAL 42 2.339 2.823 -5.197 338 HA VAL 42 HA VAL 42 0.470 1.073 -3.882 339 HB VAL 42 HB VAL 42 2.503 3.035 -2.743 340 HG11 VAL 42 1HG1 VAL 42 2.269 1.741 -0.650 341 HG12 VAL 42 2HG1 VAL 42 0.730 2.511 -1.104 342 HG13 VAL 42 3HG1 VAL 42 0.974 0.772 -1.394 343 HG21 VAL 42 3HG2 VAL 42 3.509 1.305 -4.109 344 HG22 VAL 42 1HG2 VAL 42 3.875 1.044 -2.387 345 HG23 VAL 42 2HG2 VAL 42 2.638 0.050 -3.194 346 H ASN 43 H ASN 43 0.727 4.609 -3.899 347 HA ASN 43 HA ASN 43 -1.507 4.940 -2.061 348 HB2 ASN 43 2HB ASN 43 0.361 6.832 -2.615 349 HB3 ASN 43 3HB ASN 43 -0.609 6.711 -4.102 350 HD21 ASN 43 1HD2 ASN 43 -1.743 8.486 -4.257 351 HD22 ASN 43 2HD2 ASN 43 -2.718 9.188 -3.009 352 H ALA 44 H ALA 44 -1.152 4.977 -5.593 353 HA ALA 44 HA ALA 44 -3.845 5.820 -6.108 354 HB1 ALA 44 3HB ALA 44 -1.931 4.228 -7.850 355 HB2 ALA 44 1HB ALA 44 -3.420 5.028 -8.404 356 HB3 ALA 44 2HB ALA 44 -2.065 6.002 -7.788 357 H LEU 45 H LEU 45 -2.336 2.589 -6.011 358 HA LEU 45 HA LEU 45 -4.716 1.114 -6.592 359 HB2 LEU 45 2HB LEU 45 -2.379 0.514 -4.899 360 HB3 LEU 45 3HB LEU 45 -3.469 -0.789 -5.426 361 HG LEU 45 HG LEU 45 -2.083 0.944 -7.464 362 HD11 LEU 45 1HD1 LEU 45 -0.198 -0.710 -7.530 363 HD12 LEU 45 2HD1 LEU 45 -0.282 0.113 -5.955 364 HD13 LEU 45 3HD1 LEU 45 -0.903 -1.546 -6.127 365 HD21 LEU 45 3HD2 LEU 45 -3.851 -0.538 -8.208 366 HD22 LEU 45 1HD2 LEU 45 -2.285 -1.095 -8.843 367 HD23 LEU 45 2HD2 LEU 45 -3.035 -1.934 -7.463 368 H LYS 46 H LYS 46 -3.256 1.931 -3.433 369 HA LYS 46 HA LYS 46 -5.326 0.701 -1.882 370 HB2 LYS 46 2HB LYS 46 -2.978 1.553 -1.216 371 HB3 LYS 46 3HB LYS 46 -3.785 3.124 -1.005 372 HG2 LYS 46 2HG LYS 46 -5.450 1.771 0.490 373 HG3 LYS 46 3HG LYS 46 -4.137 0.572 0.556 374 HD2 LYS 46 2HD LYS 46 -3.845 1.972 2.458 375 HD3 LYS 46 3HD LYS 46 -2.607 2.465 1.279 376 HE2 LYS 46 2HE LYS 46 -4.052 4.321 0.547 377 HE3 LYS 46 3HE LYS 46 -5.271 3.838 1.748 378 HZ1 LYS 46 3HZ LYS 46 -2.526 4.733 2.355 379 HZ2 LYS 46 1HZ LYS 46 -3.894 5.634 2.552 380 HZ3 LYS 46 2HZ LYS 46 -3.656 4.284 3.471 381 H ASP 47 H ASP 47 -5.099 3.855 -3.406 382 HA ASP 47 HA ASP 47 -6.863 5.344 -1.815 383 HB2 ASP 47 2HB ASP 47 -5.509 6.091 -3.978 384 HB3 ASP 47 3HB ASP 47 -6.935 5.356 -4.752 385 H GLU 48 H GLU 48 -7.661 3.027 -4.379 386 HA GLU 48 HA GLU 48 -10.499 3.517 -4.330 387 HB2 GLU 48 2HB GLU 48 -8.853 1.110 -5.115 388 HB3 GLU 48 3HB GLU 48 -10.619 1.218 -5.314 389 HG2 GLU 48 2HG GLU 48 -10.303 3.157 -6.903 390 HG3 GLU 48 3HG GLU 48 -8.571 3.034 -6.516 391 H ILE 49 H ILE 49 -8.392 1.393 -2.452 392 HA ILE 49 HA ILE 49 -10.656 0.051 -1.138 393 HB ILE 49 HB ILE 49 -7.693 0.109 -0.406 394 HG12 ILE 49 2HG1 ILE 49 -8.020 -0.737 -2.631 395 HG13 ILE 49 3HG1 ILE 49 -7.498 -2.007 -1.501 396 HG21 ILE 49 1HG2 ILE 49 -8.231 -1.943 0.862 397 HG22 ILE 49 2HG2 ILE 49 -9.177 -0.558 1.455 398 HG23 ILE 49 3HG2 ILE 49 -9.943 -1.775 0.408 399 HD11 ILE 49 3HD1 ILE 49 -10.336 -1.569 -2.497 400 HD12 ILE 49 1HD1 ILE 49 -9.226 -2.845 -3.045 401 HD13 ILE 49 2HD1 ILE 49 -9.814 -2.839 -1.366 402 H LEU 50 H LEU 50 -8.391 2.634 -0.296 403 HA LEU 50 HA LEU 50 -9.346 2.948 2.397 404 HB2 LEU 50 2HB LEU 50 -7.309 3.738 1.609 405 HB3 LEU 50 3HB LEU 50 -7.997 4.956 0.509 406 HG LEU 50 HG LEU 50 -9.071 6.023 2.544 407 HD11 LEU 50 1HD1 LEU 50 -8.022 5.485 4.759 408 HD12 LEU 50 2HD1 LEU 50 -8.849 4.067 4.073 409 HD13 LEU 50 3HD1 LEU 50 -7.077 4.194 3.980 410 HD21 LEU 50 3HD2 LEU 50 -7.117 6.981 1.476 411 HD22 LEU 50 1HD2 LEU 50 -7.006 7.185 3.240 412 HD23 LEU 50 2HD2 LEU 50 -6.044 5.926 2.426 413 H LYS 51 H LYS 51 -10.463 4.203 -0.695 414 HA LYS 51 HA LYS 51 -12.554 5.794 0.719 415 HB2 LYS 51 2HB LYS 51 -11.707 5.653 -2.178 416 HB3 LYS 51 3HB LYS 51 -13.055 6.635 -1.558 417 HG2 LYS 51 2HG LYS 51 -11.479 7.916 -0.162 418 HG3 LYS 51 3HG LYS 51 -10.132 6.937 -0.790 419 HD2 LYS 51 2HD LYS 51 -10.588 7.739 -3.063 420 HD3 LYS 51 3HD LYS 51 -11.964 8.694 -2.459 421 HE2 LYS 51 2HE LYS 51 -10.461 10.033 -1.079 422 HE3 LYS 51 3HE LYS 51 -9.075 9.049 -1.602 423 HZ1 LYS 51 3HZ LYS 51 -10.740 10.737 -3.358 424 HZ2 LYS 51 1HZ LYS 51 -9.220 11.107 -2.832 425 HZ3 LYS 51 2HZ LYS 51 -9.453 9.825 -3.844 426 H ALA 52 H ALA 52 -12.337 2.735 0.260 427 HA ALA 52 HA ALA 52 -14.609 2.108 -1.415 428 HB1 ALA 52 3HB ALA 52 -13.243 0.475 0.752 429 HB2 ALA 52 1HB ALA 52 -14.412 -0.145 -0.436 430 HB3 ALA 52 2HB ALA 52 -12.833 0.472 -0.980 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 18.293 -4.021 -0.187 2 H2 GLY 1 2H GLY 1 18.893 -4.284 -1.536 3 H3 GLY 1 3H GLY 1 19.443 -3.188 -0.672 4 HA2 GLY 1 2HA GLY 1 17.407 -2.876 -2.627 5 HA3 GLY 1 3HA GLY 1 16.696 -2.564 -1.027 6 H THR 2 H THR 2 16.860 -0.617 -3.046 7 HA THR 2 HA THR 2 19.132 1.149 -2.353 8 HB THR 2 HB THR 2 18.265 2.645 -4.042 9 HG1 THR 2 HG1 THR 2 16.228 1.944 -5.121 10 HG21 THR 2 3HG2 THR 2 17.940 -0.237 -4.967 11 HG22 THR 2 1HG2 THR 2 18.208 1.170 -6.023 12 HG23 THR 2 2HG2 THR 2 19.474 0.659 -4.881 13 H ILE 3 H ILE 3 18.640 3.482 -1.947 14 HA ILE 3 HA ILE 3 17.147 3.744 0.510 15 HB ILE 3 HB ILE 3 18.213 5.815 -1.460 16 HG12 ILE 3 2HG1 ILE 3 19.203 5.060 1.274 17 HG13 ILE 3 3HG1 ILE 3 19.822 4.370 -0.244 18 HG21 ILE 3 1HG2 ILE 3 17.807 7.470 0.330 19 HG22 ILE 3 2HG2 ILE 3 16.285 6.723 -0.208 20 HG23 ILE 3 3HG2 ILE 3 17.036 6.209 1.322 21 HD11 ILE 3 3HD1 ILE 3 19.891 7.307 0.533 22 HD12 ILE 3 1HD1 ILE 3 21.274 6.189 0.565 23 HD13 ILE 3 2HD1 ILE 3 20.511 6.616 -0.986 24 H ASP 4 H ASP 4 16.332 4.524 -2.845 25 HA ASP 4 HA ASP 4 13.757 5.659 -2.221 26 HB2 ASP 4 2HB ASP 4 14.796 4.335 -4.799 27 HB3 ASP 4 3HB ASP 4 13.202 5.058 -4.466 28 H GLU 5 H GLU 5 14.836 2.348 -2.881 29 HA GLU 5 HA GLU 5 12.165 1.215 -2.779 30 HB2 GLU 5 2HB GLU 5 14.924 0.047 -2.417 31 HB3 GLU 5 3HB GLU 5 13.427 -0.915 -2.376 32 HG2 GLU 5 2HG GLU 5 12.967 -0.308 -4.767 33 HG3 GLU 5 3HG GLU 5 14.356 0.796 -4.643 34 H TRP 6 H TRP 6 14.601 2.000 -0.377 35 HA TRP 6 HA TRP 6 13.324 0.615 1.818 36 HB2 TRP 6 2HB TRP 6 15.227 2.993 1.708 37 HB3 TRP 6 3HB TRP 6 14.668 2.240 3.220 38 HD1 TRP 6 HD1 TRP 6 14.861 -0.628 1.584 39 HE1 TRP 6 HE1 TRP 6 17.287 -1.819 1.613 40 HE3 TRP 6 HE3 TRP 6 17.661 3.443 2.772 41 HZ2 TRP 6 HZ2 TRP 6 19.880 -0.988 2.086 42 HZ3 TRP 6 HZ3 TRP 6 20.059 3.242 3.009 43 HH2 TRP 6 HH2 TRP 6 21.208 1.095 2.681 44 H LEU 7 H LEU 7 13.073 3.938 0.564 45 HA LEU 7 HA LEU 7 11.102 4.798 2.474 46 HB2 LEU 7 2HB LEU 7 11.602 5.538 -0.335 47 HB3 LEU 7 3HB LEU 7 10.609 6.575 0.714 48 HG LEU 7 HG LEU 7 13.523 5.930 1.270 49 HD11 LEU 7 1HD1 LEU 7 14.036 8.215 0.369 50 HD12 LEU 7 2HD1 LEU 7 13.340 7.165 -0.888 51 HD13 LEU 7 3HD1 LEU 7 12.329 8.398 -0.096 52 HD21 LEU 7 3HD2 LEU 7 12.226 6.619 3.199 53 HD22 LEU 7 1HD2 LEU 7 13.381 7.898 2.756 54 HD23 LEU 7 2HD2 LEU 7 11.659 8.068 2.337 55 H LEU 8 H LEU 8 10.797 3.368 -0.774 56 HA LEU 8 HA LEU 8 7.924 3.388 -0.798 57 HB2 LEU 8 2HB LEU 8 8.943 3.177 -2.740 58 HB3 LEU 8 3HB LEU 8 10.060 1.854 -2.332 59 HG LEU 8 HG LEU 8 8.145 0.294 -2.201 60 HD11 LEU 8 1HD1 LEU 8 5.914 1.041 -3.074 61 HD12 LEU 8 2HD1 LEU 8 6.386 1.966 -1.630 62 HD13 LEU 8 3HD1 LEU 8 6.552 2.692 -3.245 63 HD21 LEU 8 3HD2 LEU 8 9.389 0.472 -4.274 64 HD22 LEU 8 1HD2 LEU 8 7.670 0.173 -4.622 65 HD23 LEU 8 2HD2 LEU 8 8.347 1.809 -4.819 66 H LYS 9 H LYS 9 10.280 0.962 0.292 67 HA LYS 9 HA LYS 9 8.462 -1.059 1.086 68 HB2 LYS 9 2HB LYS 9 10.920 -1.243 1.111 69 HB3 LYS 9 3HB LYS 9 10.966 -0.134 2.501 70 HG2 LYS 9 2HG LYS 9 9.806 -1.732 3.893 71 HG3 LYS 9 3HG LYS 9 9.534 -2.809 2.503 72 HD2 LYS 9 2HD LYS 9 12.218 -2.071 3.718 73 HD3 LYS 9 3HD LYS 9 11.381 -3.632 3.886 74 HE2 LYS 9 2HE LYS 9 11.567 -4.046 1.509 75 HE3 LYS 9 3HE LYS 9 12.258 -2.429 1.244 76 HZ1 LYS 9 3HZ LYS 9 13.512 -4.595 2.808 77 HZ2 LYS 9 1HZ LYS 9 13.957 -4.125 1.290 78 HZ3 LYS 9 2HZ LYS 9 14.154 -3.095 2.563 79 H GLU 10 H GLU 10 9.420 1.912 2.775 80 HA GLU 10 HA GLU 10 7.725 1.356 5.085 81 HB2 GLU 10 2HB GLU 10 9.035 3.862 4.025 82 HB3 GLU 10 3HB GLU 10 8.074 3.798 5.522 83 HG2 GLU 10 2HG GLU 10 9.747 2.171 6.499 84 HG3 GLU 10 3HG GLU 10 10.546 2.234 4.911 85 H ALA 11 H ALA 11 7.330 3.056 2.019 86 HA ALA 11 HA ALA 11 4.811 4.260 2.623 87 HB1 ALA 11 3HB ALA 11 5.907 3.289 -0.038 88 HB2 ALA 11 1HB ALA 11 4.524 4.387 0.178 89 HB3 ALA 11 2HB ALA 11 6.154 4.901 0.672 90 H LYS 12 H LYS 12 5.673 1.047 1.404 91 HA LYS 12 HA LYS 12 2.968 0.224 0.829 92 HB2 LYS 12 2HB LYS 12 5.458 -1.352 1.495 93 HB3 LYS 12 3HB LYS 12 3.922 -2.065 0.949 94 HG2 LYS 12 2HG LYS 12 4.138 -1.194 -1.215 95 HG3 LYS 12 3HG LYS 12 5.323 0.032 -0.704 96 HD2 LYS 12 2HD LYS 12 7.016 -1.670 -0.365 97 HD3 LYS 12 3HD LYS 12 5.837 -2.960 -0.703 98 HE2 LYS 12 2HE LYS 12 5.539 -1.995 -2.994 99 HE3 LYS 12 3HE LYS 12 6.857 -0.855 -2.635 100 HZ1 LYS 12 3HZ LYS 12 7.092 -3.796 -2.658 101 HZ2 LYS 12 1HZ LYS 12 7.647 -2.782 -3.833 102 HZ3 LYS 12 2HZ LYS 12 8.314 -2.741 -2.324 103 H GLU 13 H GLU 13 5.049 -0.188 3.689 104 HA GLU 13 HA GLU 13 3.071 -1.760 5.121 105 HB2 GLU 13 2HB GLU 13 5.526 -0.236 6.000 106 HB3 GLU 13 3HB GLU 13 4.518 -1.221 7.089 107 HG2 GLU 13 2HG GLU 13 5.107 -3.277 5.752 108 HG3 GLU 13 3HG GLU 13 5.951 -2.172 4.643 109 H LYS 14 H LYS 14 3.946 1.680 5.084 110 HA LYS 14 HA LYS 14 2.412 2.295 7.464 111 HB2 LYS 14 2HB LYS 14 3.615 3.954 5.255 112 HB3 LYS 14 3HB LYS 14 2.680 4.664 6.592 113 HG2 LYS 14 2HG LYS 14 4.288 3.759 8.212 114 HG3 LYS 14 3HG LYS 14 5.216 3.019 6.886 115 HD2 LYS 14 2HD LYS 14 6.246 5.126 7.628 116 HD3 LYS 14 3HD LYS 14 5.674 5.235 5.946 117 HE2 LYS 14 2HE LYS 14 3.579 6.308 6.800 118 HE3 LYS 14 3HE LYS 14 4.307 6.329 8.422 119 HZ1 LYS 14 3HZ LYS 14 5.394 7.684 6.038 120 HZ2 LYS 14 1HZ LYS 14 4.607 8.423 7.286 121 HZ3 LYS 14 2HZ LYS 14 6.071 7.703 7.544 122 H ALA 15 H ALA 15 1.692 2.295 4.013 123 HA ALA 15 HA ALA 15 -0.539 4.097 4.222 124 HB1 ALA 15 3HB ALA 15 0.136 2.056 2.077 125 HB2 ALA 15 1HB ALA 15 -1.054 3.369 1.925 126 HB3 ALA 15 2HB ALA 15 0.673 3.752 2.117 127 H ILE 16 H ILE 16 -0.247 0.570 4.324 128 HA ILE 16 HA ILE 16 -3.137 0.160 4.007 129 HB ILE 16 HB ILE 16 -0.990 -1.800 4.937 130 HG12 ILE 16 2HG1 ILE 16 -0.206 -1.125 2.896 131 HG13 ILE 16 3HG1 ILE 16 -1.141 -2.599 2.548 132 HG21 ILE 16 1HG2 ILE 16 -2.592 -3.504 4.137 133 HG22 ILE 16 2HG2 ILE 16 -3.314 -2.494 5.411 134 HG23 ILE 16 3HG2 ILE 16 -3.745 -2.217 3.708 135 HD11 ILE 16 3HD1 ILE 16 -2.092 0.255 2.118 136 HD12 ILE 16 1HD1 ILE 16 -1.549 -0.864 0.847 137 HD13 ILE 16 2HD1 ILE 16 -3.028 -1.217 1.771 138 H GLU 17 H GLU 17 -0.997 0.690 6.667 139 HA GLU 17 HA GLU 17 -2.410 -0.434 8.809 140 HB2 GLU 17 2HB GLU 17 -1.032 2.237 8.549 141 HB3 GLU 17 3HB GLU 17 -1.678 1.610 10.084 142 HG2 GLU 17 2HG GLU 17 0.571 0.301 8.437 143 HG3 GLU 17 3HG GLU 17 0.667 1.273 9.925 144 H GLU 18 H GLU 18 -3.212 2.464 6.947 145 HA GLU 18 HA GLU 18 -5.490 3.224 8.543 146 HB2 GLU 18 2HB GLU 18 -4.838 3.630 5.620 147 HB3 GLU 18 3HB GLU 18 -6.225 4.367 6.459 148 HG2 GLU 18 2HG GLU 18 -4.649 5.656 7.932 149 HG3 GLU 18 3HG GLU 18 -3.345 4.718 7.171 150 H LEU 19 H LEU 19 -5.106 1.029 5.782 151 HA LEU 19 HA LEU 19 -7.909 0.445 5.497 152 HB2 LEU 19 2HB LEU 19 -5.353 -0.569 4.683 153 HB3 LEU 19 3HB LEU 19 -6.585 -1.849 4.623 154 HG LEU 19 HG LEU 19 -7.873 -0.673 3.003 155 HD11 LEU 19 1HD1 LEU 19 -7.274 1.641 2.241 156 HD12 LEU 19 2HD1 LEU 19 -7.630 1.606 3.984 157 HD13 LEU 19 3HD1 LEU 19 -5.943 1.669 3.420 158 HD21 LEU 19 3HD2 LEU 19 -5.951 -1.831 2.084 159 HD22 LEU 19 1HD2 LEU 19 -6.289 -0.366 1.132 160 HD23 LEU 19 2HD2 LEU 19 -4.940 -0.382 2.294 161 H LYS 20 H LYS 20 -5.344 -1.004 7.465 162 HA LYS 20 HA LYS 20 -6.916 -3.125 8.574 163 HB2 LYS 20 2HB LYS 20 -4.681 -1.500 9.800 164 HB3 LYS 20 3HB LYS 20 -5.337 -3.020 10.454 165 HG2 LYS 20 2HG LYS 20 -4.630 -4.177 8.364 166 HG3 LYS 20 3HG LYS 20 -3.883 -2.658 7.813 167 HD2 LYS 20 2HD LYS 20 -2.459 -2.672 9.864 168 HD3 LYS 20 3HD LYS 20 -3.142 -4.260 10.283 169 HE2 LYS 20 2HE LYS 20 -2.250 -5.235 8.254 170 HE3 LYS 20 3HE LYS 20 -1.681 -3.645 7.699 171 HZ1 LYS 20 3HZ LYS 20 -0.710 -5.075 10.090 172 HZ2 LYS 20 1HZ LYS 20 0.098 -4.941 8.658 173 HZ3 LYS 20 2HZ LYS 20 -0.181 -3.599 9.576 174 H LYS 21 H LYS 21 -6.542 0.273 9.543 175 HA LYS 21 HA LYS 21 -8.375 0.066 11.782 176 HB2 LYS 21 2HB LYS 21 -7.433 2.383 10.091 177 HB3 LYS 21 3HB LYS 21 -8.518 2.551 11.491 178 HG2 LYS 21 2HG LYS 21 -6.794 1.667 12.974 179 HG3 LYS 21 3HG LYS 21 -5.713 1.390 11.588 180 HD2 LYS 21 2HD LYS 21 -5.726 3.825 11.121 181 HD3 LYS 21 3HD LYS 21 -6.749 4.076 12.556 182 HE2 LYS 21 2HE LYS 21 -5.000 3.179 13.996 183 HE3 LYS 21 3HE LYS 21 -3.983 2.829 12.579 184 HZ1 LYS 21 3HZ LYS 21 -4.842 5.513 13.452 185 HZ2 LYS 21 1HZ LYS 21 -3.335 4.875 13.655 186 HZ3 LYS 21 2HZ LYS 21 -3.899 5.188 12.137 187 H ALA 22 H ALA 22 -8.772 0.341 8.343 188 HA ALA 22 HA ALA 22 -11.500 1.410 8.584 189 HB1 ALA 22 3HB ALA 22 -9.928 0.465 6.163 190 HB2 ALA 22 1HB ALA 22 -11.504 1.286 6.122 191 HB3 ALA 22 2HB ALA 22 -10.069 2.144 6.731 192 H GLY 23 H GLY 23 -10.090 -1.606 8.877 193 HA2 GLY 23 2HA GLY 23 -11.304 -3.552 9.445 194 HA3 GLY 23 3HA GLY 23 -12.761 -2.854 8.702 195 H ILE 24 H ILE 24 -9.839 -2.631 6.885 196 HA ILE 24 HA ILE 24 -10.885 -4.610 4.920 197 HB ILE 24 HB ILE 24 -8.480 -2.734 4.769 198 HG12 ILE 24 2HG1 ILE 24 -10.533 -1.499 4.965 199 HG13 ILE 24 3HG1 ILE 24 -9.806 -1.338 3.350 200 HG21 ILE 24 1HG2 ILE 24 -8.571 -3.235 2.350 201 HG22 ILE 24 2HG2 ILE 24 -8.307 -4.715 3.300 202 HG23 ILE 24 3HG2 ILE 24 -9.917 -4.362 2.633 203 HD11 ILE 24 3HD1 ILE 24 -12.160 -3.119 4.070 204 HD12 ILE 24 1HD1 ILE 24 -12.254 -1.569 3.204 205 HD13 ILE 24 2HD1 ILE 24 -11.432 -2.958 2.455 206 H THR 25 H THR 25 -10.180 -6.529 4.554 207 HA THR 25 HA THR 25 -7.623 -7.346 5.894 208 HB THR 25 HB THR 25 -8.652 -9.528 6.405 209 HG1 THR 25 HG1 THR 25 -10.956 -9.712 6.135 210 HG21 THR 25 3HG2 THR 25 -10.288 -7.185 7.455 211 HG22 THR 25 1HG2 THR 25 -10.175 -8.794 8.206 212 HG23 THR 25 2HG2 THR 25 -8.736 -7.750 8.119 213 H SER 26 H SER 26 -9.168 -6.919 3.028 214 HA SER 26 HA SER 26 -8.769 -9.324 1.520 215 HB2 SER 26 2HB SER 26 -10.119 -7.561 0.783 216 HB3 SER 26 3HB SER 26 -8.695 -6.511 0.606 217 HG SER 26 HG SER 26 -9.150 -8.969 -0.738 218 H ASP 27 H ASP 27 -6.838 -10.385 1.640 219 HA ASP 27 HA ASP 27 -4.264 -9.040 1.655 220 HB2 ASP 27 2HB ASP 27 -5.018 -11.971 1.093 221 HB3 ASP 27 3HB ASP 27 -3.414 -11.198 1.066 222 H TYR 28 H TYR 28 -6.463 -10.084 -0.837 223 HA TYR 28 HA TYR 28 -4.688 -10.256 -3.042 224 HB2 TYR 28 2HB TYR 28 -7.017 -10.893 -3.180 225 HB3 TYR 28 3HB TYR 28 -7.520 -9.210 -2.885 226 HD1 TYR 28 HD1 TYR 28 -5.793 -11.430 -5.327 227 HD2 TYR 28 HD2 TYR 28 -7.676 -7.660 -4.676 228 HE1 TYR 28 HE1 TYR 28 -5.740 -10.992 -7.764 229 HE2 TYR 28 HE2 TYR 28 -7.630 -7.205 -7.106 230 HH TYR 28 HH TYR 28 -7.037 -7.978 -9.165 231 H TYR 29 H TYR 29 -6.522 -7.382 -1.950 232 HA TYR 29 HA TYR 29 -5.183 -5.660 -3.870 233 HB2 TYR 29 2HB TYR 29 -6.853 -5.091 -1.416 234 HB3 TYR 29 3HB TYR 29 -6.236 -3.842 -2.526 235 HD1 TYR 29 HD2 TYR 29 -6.838 -4.269 -5.080 236 HD2 TYR 29 HD1 TYR 29 -9.002 -5.902 -1.789 237 HE1 TYR 29 HE2 TYR 29 -8.805 -4.579 -6.543 238 HE2 TYR 29 HE1 TYR 29 -10.984 -6.220 -3.241 239 HH TYR 29 HH TYR 29 -11.858 -5.979 -5.324 240 H PHE 30 H PHE 30 -4.602 -6.550 -0.519 241 HA PHE 30 HA PHE 30 -2.530 -4.631 0.009 242 HB2 PHE 30 2HB PHE 30 -2.976 -7.461 1.049 243 HB3 PHE 30 3HB PHE 30 -1.748 -6.340 1.681 244 HD1 PHE 30 HD2 PHE 30 -4.648 -4.587 0.666 245 HD2 PHE 30 HD1 PHE 30 -3.025 -6.970 3.818 246 HE1 PHE 30 HE2 PHE 30 -6.311 -3.643 2.233 247 HE2 PHE 30 HE1 PHE 30 -4.688 -6.031 5.388 248 HZ PHE 30 HZ PHE 30 -6.332 -4.367 4.594 249 H ASP 31 H ASP 31 -2.595 -7.579 -1.872 250 HA ASP 31 HA ASP 31 0.287 -7.822 -2.130 251 HB2 ASP 31 2HB ASP 31 -1.544 -9.655 -2.669 252 HB3 ASP 31 3HB ASP 31 -1.762 -8.604 -4.091 253 H LEU 32 H LEU 32 -2.185 -5.955 -3.783 254 HA LEU 32 HA LEU 32 -0.725 -5.567 -6.227 255 HB2 LEU 32 2HB LEU 32 -2.992 -4.477 -4.822 256 HB3 LEU 32 3HB LEU 32 -2.388 -3.359 -6.068 257 HG LEU 32 HG LEU 32 -2.641 -5.191 -7.754 258 HD11 LEU 32 1HD1 LEU 32 -4.074 -7.154 -7.129 259 HD12 LEU 32 2HD1 LEU 32 -2.581 -7.112 -6.163 260 HD13 LEU 32 3HD1 LEU 32 -4.118 -6.569 -5.450 261 HD21 LEU 32 3HD2 LEU 32 -4.331 -3.466 -7.541 262 HD22 LEU 32 1HD2 LEU 32 -5.099 -5.025 -7.930 263 HD23 LEU 32 2HD2 LEU 32 -5.158 -4.393 -6.267 264 H ILE 33 H ILE 33 -0.773 -3.805 -3.172 265 HA ILE 33 HA ILE 33 0.879 -1.604 -4.150 266 HB ILE 33 HB ILE 33 1.183 -1.076 -1.753 267 HG12 ILE 33 2HG1 ILE 33 -0.551 -3.282 -0.859 268 HG13 ILE 33 3HG1 ILE 33 1.107 -3.713 -1.339 269 HG21 ILE 33 1HG2 ILE 33 -1.190 -0.760 -1.134 270 HG22 ILE 33 2HG2 ILE 33 -0.917 -0.366 -2.848 271 HG23 ILE 33 3HG2 ILE 33 -1.673 -1.913 -2.401 272 HD11 ILE 33 3HD1 ILE 33 0.343 -1.635 0.742 273 HD12 ILE 33 1HD1 ILE 33 0.970 -3.265 1.079 274 HD13 ILE 33 2HD1 ILE 33 2.000 -2.067 0.261 275 H ASN 34 H ASN 34 1.535 -4.831 -3.104 276 HA ASN 34 HA ASN 34 4.415 -4.363 -2.827 277 HB2 ASN 34 2HB ASN 34 2.968 -7.099 -3.158 278 HB3 ASN 34 3HB ASN 34 4.654 -6.543 -3.024 279 HD21 ASN 34 1HD2 ASN 34 2.835 -8.213 -1.301 280 HD22 ASN 34 2HD2 ASN 34 2.967 -7.506 0.275 281 H LYS 35 H LYS 35 2.239 -5.470 -5.413 282 HA LYS 35 HA LYS 35 4.303 -5.628 -7.427 283 HB2 LYS 35 2HB LYS 35 1.338 -5.083 -7.545 284 HB3 LYS 35 3HB LYS 35 2.375 -5.199 -8.987 285 HG2 LYS 35 2HG LYS 35 2.959 -7.512 -8.385 286 HG3 LYS 35 3HG LYS 35 1.929 -7.398 -6.939 287 HD2 LYS 35 2HD LYS 35 -0.041 -7.030 -8.358 288 HD3 LYS 35 3HD LYS 35 0.983 -7.111 -9.811 289 HE2 LYS 35 2HE LYS 35 1.602 -9.423 -9.245 290 HE3 LYS 35 3HE LYS 35 0.575 -9.343 -7.795 291 HZ1 LYS 35 3HZ LYS 35 -0.368 -9.096 -10.579 292 HZ2 LYS 35 1HZ LYS 35 -0.547 -10.425 -9.621 293 HZ3 LYS 35 2HZ LYS 35 -1.321 -9.021 -9.235 294 H ALA 36 H ALA 36 2.847 -2.988 -5.778 295 HA ALA 36 HA ALA 36 3.195 -1.044 -7.903 296 HB1 ALA 36 3HB ALA 36 2.831 -0.666 -4.912 297 HB2 ALA 36 1HB ALA 36 2.715 0.613 -6.143 298 HB3 ALA 36 2HB ALA 36 1.533 -0.717 -6.128 299 H LYS 37 H LYS 37 5.405 -1.732 -8.453 300 HA LYS 37 HA LYS 37 7.616 -1.306 -6.680 301 HB2 LYS 37 2HB LYS 37 7.563 -2.564 -8.878 302 HB3 LYS 37 3HB LYS 37 7.638 -0.975 -9.676 303 HG2 LYS 37 2HG LYS 37 9.794 -0.513 -8.690 304 HG3 LYS 37 3HG LYS 37 9.704 -1.988 -7.699 305 HD2 LYS 37 2HD LYS 37 9.651 -3.336 -9.799 306 HD3 LYS 37 3HD LYS 37 9.882 -1.835 -10.727 307 HE2 LYS 37 2HE LYS 37 12.016 -1.443 -9.611 308 HE3 LYS 37 3HE LYS 37 11.779 -2.894 -8.608 309 HZ1 LYS 37 3HZ LYS 37 12.063 -2.866 -11.545 310 HZ2 LYS 37 1HZ LYS 37 13.230 -3.328 -10.474 311 HZ3 LYS 37 2HZ LYS 37 11.843 -4.212 -10.616 312 H THR 38 H THR 38 5.473 0.932 -7.990 313 HA THR 38 HA THR 38 7.433 3.118 -7.376 314 HB THR 38 HB THR 38 5.979 4.635 -8.574 315 HG1 THR 38 HG1 THR 38 4.251 2.455 -9.181 316 HG21 THR 38 3HG2 THR 38 6.309 2.056 -10.158 317 HG22 THR 38 1HG2 THR 38 6.048 3.675 -10.848 318 HG23 THR 38 2HG2 THR 38 7.547 3.318 -9.958 319 H VAL 39 H VAL 39 6.870 4.797 -6.017 320 HA VAL 39 HA VAL 39 5.190 4.096 -3.742 321 HB VAL 39 HB VAL 39 6.411 6.745 -4.624 322 HG11 VAL 39 1HG1 VAL 39 5.912 7.501 -2.325 323 HG12 VAL 39 2HG1 VAL 39 4.419 7.091 -3.201 324 HG13 VAL 39 3HG1 VAL 39 5.084 5.961 -1.997 325 HG21 VAL 39 3HG2 VAL 39 8.070 5.064 -4.084 326 HG22 VAL 39 1HG2 VAL 39 8.022 6.331 -2.835 327 HG23 VAL 39 2HG2 VAL 39 7.269 4.747 -2.526 328 H GLU 40 H GLU 40 4.689 6.066 -6.630 329 HA GLU 40 HA GLU 40 2.172 7.172 -5.777 330 HB2 GLU 40 2HB GLU 40 3.351 6.637 -8.503 331 HB3 GLU 40 3HB GLU 40 1.802 7.473 -8.237 332 HG2 GLU 40 2HG GLU 40 3.029 9.303 -6.997 333 HG3 GLU 40 3HG GLU 40 4.485 8.307 -7.216 334 H GLY 41 H GLY 41 3.043 4.152 -7.383 335 HA2 GLY 41 2HA GLY 41 0.428 3.295 -8.077 336 HA3 GLY 41 3HA GLY 41 1.804 2.229 -7.712 337 H VAL 42 H VAL 42 2.307 2.855 -5.069 338 HA VAL 42 HA VAL 42 0.429 1.120 -3.750 339 HB VAL 42 HB VAL 42 2.461 3.086 -2.615 340 HG11 VAL 42 1HG1 VAL 42 2.214 1.805 -0.514 341 HG12 VAL 42 2HG1 VAL 42 0.678 2.576 -0.980 342 HG13 VAL 42 3HG1 VAL 42 0.921 0.834 -1.257 343 HG21 VAL 42 3HG2 VAL 42 3.469 1.344 -3.964 344 HG22 VAL 42 1HG2 VAL 42 3.826 1.094 -2.240 345 HG23 VAL 42 2HG2 VAL 42 2.591 0.098 -3.045 346 H ASN 43 H ASN 43 0.691 4.655 -3.789 347 HA ASN 43 HA ASN 43 -1.558 4.994 -1.964 348 HB2 ASN 43 2HB ASN 43 0.325 6.879 -2.494 349 HB3 ASN 43 3HB ASN 43 -0.629 6.764 -3.993 350 HD21 ASN 43 1HD2 ASN 43 -1.742 8.552 -4.157 351 HD22 ASN 43 2HD2 ASN 43 -2.733 9.253 -2.922 352 H ALA 44 H ALA 44 -1.165 5.037 -5.493 353 HA ALA 44 HA ALA 44 -3.848 5.897 -6.032 354 HB1 ALA 44 3HB ALA 44 -1.924 4.302 -7.761 355 HB2 ALA 44 1HB ALA 44 -3.403 5.112 -8.326 356 HB3 ALA 44 2HB ALA 44 -2.049 6.076 -7.692 357 H LEU 45 H LEU 45 -2.356 2.660 -5.903 358 HA LEU 45 HA LEU 45 -4.738 1.204 -6.545 359 HB2 LEU 45 2HB LEU 45 -2.425 0.569 -4.831 360 HB3 LEU 45 3HB LEU 45 -3.514 -0.720 -5.392 361 HG LEU 45 HG LEU 45 -2.083 1.036 -7.381 362 HD11 LEU 45 1HD1 LEU 45 -0.218 -0.640 -7.449 363 HD12 LEU 45 2HD1 LEU 45 -0.315 0.154 -5.861 364 HD13 LEU 45 3HD1 LEU 45 -0.955 -1.493 -6.073 365 HD21 LEU 45 3HD2 LEU 45 -3.858 -0.409 -8.179 366 HD22 LEU 45 1HD2 LEU 45 -2.289 -0.974 -8.802 367 HD23 LEU 45 2HD2 LEU 45 -3.070 -1.829 -7.450 368 H LYS 46 H LYS 46 -3.313 1.989 -3.363 369 HA LYS 46 HA LYS 46 -5.399 0.756 -1.840 370 HB2 LYS 46 2HB LYS 46 -3.060 1.621 -1.148 371 HB3 LYS 46 3HB LYS 46 -3.884 3.185 -0.936 372 HG2 LYS 46 2HG LYS 46 -5.551 1.815 0.536 373 HG3 LYS 46 3HG LYS 46 -4.237 0.617 0.603 374 HD2 LYS 46 2HD LYS 46 -3.955 1.995 2.517 375 HD3 LYS 46 3HD LYS 46 -2.716 2.513 1.349 376 HE2 LYS 46 2HE LYS 46 -4.166 4.371 0.640 377 HE3 LYS 46 3HE LYS 46 -5.396 3.858 1.817 378 HZ1 LYS 46 3HZ LYS 46 -2.666 4.764 2.474 379 HZ2 LYS 46 1HZ LYS 46 -4.043 5.651 2.667 380 HZ3 LYS 46 2HZ LYS 46 -3.806 4.288 3.567 381 H ASP 47 H ASP 47 -5.161 3.912 -3.356 382 HA ASP 47 HA ASP 47 -6.976 5.390 -1.816 383 HB2 ASP 47 2HB ASP 47 -5.589 6.138 -3.956 384 HB3 ASP 47 3HB ASP 47 -6.988 5.377 -4.753 385 H GLU 48 H GLU 48 -7.695 3.050 -4.382 386 HA GLU 48 HA GLU 48 -10.544 3.491 -4.371 387 HB2 GLU 48 2HB GLU 48 -8.844 1.116 -5.136 388 HB3 GLU 48 3HB GLU 48 -10.610 1.191 -5.357 389 HG2 GLU 48 2HG GLU 48 -10.310 3.137 -6.941 390 HG3 GLU 48 3HG GLU 48 -8.581 3.044 -6.534 391 H ILE 49 H ILE 49 -8.419 1.407 -2.467 392 HA ILE 49 HA ILE 49 -10.670 0.009 -1.191 393 HB ILE 49 HB ILE 49 -7.718 0.143 -0.418 394 HG12 ILE 49 2HG1 ILE 49 -8.020 -0.722 -2.647 395 HG13 ILE 49 3HG1 ILE 49 -7.450 -1.962 -1.506 396 HG21 ILE 49 1HG2 ILE 49 -8.221 -1.914 0.857 397 HG22 ILE 49 2HG2 ILE 49 -9.206 -0.548 1.432 398 HG23 ILE 49 3HG2 ILE 49 -9.932 -1.789 0.384 399 HD11 ILE 49 3HD1 ILE 49 -10.303 -1.640 -2.502 400 HD12 ILE 49 1HD1 ILE 49 -9.145 -2.879 -3.040 401 HD13 ILE 49 2HD1 ILE 49 -9.733 -2.879 -1.359 402 H LEU 50 H LEU 50 -8.467 2.632 -0.288 403 HA LEU 50 HA LEU 50 -9.472 2.888 2.394 404 HB2 LEU 50 2HB LEU 50 -7.428 3.708 1.653 405 HB3 LEU 50 3HB LEU 50 -8.107 4.942 0.568 406 HG LEU 50 HG LEU 50 -9.226 5.951 2.612 407 HD11 LEU 50 1HD1 LEU 50 -8.191 5.383 4.826 408 HD12 LEU 50 2HD1 LEU 50 -8.992 3.967 4.103 409 HD13 LEU 50 3HD1 LEU 50 -7.220 4.123 4.030 410 HD21 LEU 50 3HD2 LEU 50 -7.275 6.959 1.584 411 HD22 LEU 50 1HD2 LEU 50 -7.184 7.128 3.354 412 HD23 LEU 50 2HD2 LEU 50 -6.196 5.901 2.524 413 H LYS 51 H LYS 51 -10.542 4.190 -0.696 414 HA LYS 51 HA LYS 51 -12.686 5.716 0.717 415 HB2 LYS 51 2HB LYS 51 -11.750 5.726 -2.156 416 HB3 LYS 51 3HB LYS 51 -13.108 6.682 -1.516 417 HG2 LYS 51 2HG LYS 51 -11.568 7.889 -0.030 418 HG3 LYS 51 3HG LYS 51 -10.207 6.924 -0.648 419 HD2 LYS 51 2HD LYS 51 -10.580 7.823 -2.903 420 HD3 LYS 51 3HD LYS 51 -11.960 8.773 -2.301 421 HE2 LYS 51 2HE LYS 51 -10.480 10.023 -0.814 422 HE3 LYS 51 3HE LYS 51 -9.093 9.046 -1.348 423 HZ1 LYS 51 3HZ LYS 51 -10.688 10.838 -3.065 424 HZ2 LYS 51 1HZ LYS 51 -9.179 11.161 -2.482 425 HZ3 LYS 51 2HZ LYS 51 -9.403 9.931 -3.560 426 H ALA 52 H ALA 52 -12.427 2.690 0.139 427 HA ALA 52 HA ALA 52 -14.551 2.060 -1.688 428 HB1 ALA 52 3HB ALA 52 -13.441 0.463 0.646 429 HB2 ALA 52 1HB ALA 52 -14.484 -0.173 -0.647 430 HB3 ALA 52 2HB ALA 52 -12.850 0.418 -1.032 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 18.272 -4.219 -2.755 2 H2 GLY 1 2H GLY 1 16.985 -3.665 -3.291 3 H3 GLY 1 3H GLY 1 18.262 -2.895 -3.459 4 HA2 GLY 1 2HA GLY 1 16.443 -2.613 -1.296 5 HA3 GLY 1 3HA GLY 1 17.969 -3.270 -0.660 6 H THR 2 H THR 2 16.803 -0.706 -2.881 7 HA THR 2 HA THR 2 19.087 1.019 -2.117 8 HB THR 2 HB THR 2 18.288 2.545 -3.811 9 HG1 THR 2 HG1 THR 2 16.270 1.893 -4.949 10 HG21 THR 2 3HG2 THR 2 17.945 -0.322 -4.779 11 HG22 THR 2 1HG2 THR 2 18.260 1.094 -5.810 12 HG23 THR 2 2HG2 THR 2 19.489 0.551 -4.642 13 H ILE 3 H ILE 3 18.611 3.353 -1.696 14 HA ILE 3 HA ILE 3 17.048 3.615 0.715 15 HB ILE 3 HB ILE 3 18.182 5.688 -1.214 16 HG12 ILE 3 2HG1 ILE 3 19.090 4.913 1.543 17 HG13 ILE 3 3HG1 ILE 3 19.748 4.227 0.039 18 HG21 ILE 3 1HG2 ILE 3 17.737 7.336 0.573 19 HG22 ILE 3 2HG2 ILE 3 16.226 6.602 -0.011 20 HG23 ILE 3 3HG2 ILE 3 16.931 6.076 1.535 21 HD11 ILE 3 3HD1 ILE 3 19.812 7.160 0.833 22 HD12 ILE 3 1HD1 ILE 3 21.187 6.033 0.897 23 HD13 ILE 3 2HD1 ILE 3 20.469 6.474 -0.671 24 H ASP 4 H ASP 4 16.334 4.423 -2.657 25 HA ASP 4 HA ASP 4 13.752 5.574 -2.096 26 HB2 ASP 4 2HB ASP 4 14.855 4.268 -4.655 27 HB3 ASP 4 3HB ASP 4 13.258 4.999 -4.362 28 H GLU 5 H GLU 5 14.825 2.261 -2.745 29 HA GLU 5 HA GLU 5 12.145 1.144 -2.723 30 HB2 GLU 5 2HB GLU 5 14.887 -0.041 -2.288 31 HB3 GLU 5 3HB GLU 5 13.383 -0.994 -2.288 32 HG2 GLU 5 2HG GLU 5 12.987 -0.367 -4.691 33 HG3 GLU 5 3HG GLU 5 14.394 0.709 -4.527 34 H TRP 6 H TRP 6 14.517 1.912 -0.252 35 HA TRP 6 HA TRP 6 13.159 0.522 1.897 36 HB2 TRP 6 2HB TRP 6 15.118 2.854 1.861 37 HB3 TRP 6 3HB TRP 6 14.507 2.096 3.351 38 HD1 TRP 6 HD1 TRP 6 14.669 -0.764 1.719 39 HE1 TRP 6 HE1 TRP 6 17.070 -2.007 1.778 40 HE3 TRP 6 HE3 TRP 6 17.544 3.248 2.937 41 HZ2 TRP 6 HZ2 TRP 6 19.673 -1.233 2.281 42 HZ3 TRP 6 HZ3 TRP 6 19.933 2.994 3.200 43 HH2 TRP 6 HH2 TRP 6 21.040 0.822 2.889 44 H LEU 7 H LEU 7 12.998 3.846 0.642 45 HA LEU 7 HA LEU 7 11.006 4.750 2.508 46 HB2 LEU 7 2HB LEU 7 11.582 5.459 -0.294 47 HB3 LEU 7 3HB LEU 7 10.567 6.514 0.714 48 HG LEU 7 HG LEU 7 13.458 5.853 1.359 49 HD11 LEU 7 1HD1 LEU 7 14.009 8.131 0.462 50 HD12 LEU 7 2HD1 LEU 7 13.341 7.080 -0.808 51 HD13 LEU 7 3HD1 LEU 7 12.316 8.321 -0.049 52 HD21 LEU 7 3HD2 LEU 7 12.114 6.557 3.250 53 HD22 LEU 7 1HD2 LEU 7 13.288 7.829 2.832 54 HD23 LEU 7 2HD2 LEU 7 11.579 8.006 2.367 55 H LEU 8 H LEU 8 10.740 3.299 -0.733 56 HA LEU 8 HA LEU 8 7.865 3.338 -0.800 57 HB2 LEU 8 2HB LEU 8 8.903 3.101 -2.726 58 HB3 LEU 8 3HB LEU 8 10.017 1.784 -2.292 59 HG LEU 8 HG LEU 8 8.102 0.224 -2.163 60 HD11 LEU 8 1HD1 LEU 8 5.882 0.958 -3.077 61 HD12 LEU 8 2HD1 LEU 8 6.333 1.901 -1.637 62 HD13 LEU 8 3HD1 LEU 8 6.521 2.609 -3.259 63 HD21 LEU 8 3HD2 LEU 8 9.373 0.378 -4.222 64 HD22 LEU 8 1HD2 LEU 8 7.658 0.072 -4.590 65 HD23 LEU 8 2HD2 LEU 8 8.337 1.705 -4.798 66 H LYS 9 H LYS 9 10.191 0.904 0.341 67 HA LYS 9 HA LYS 9 8.344 -1.091 1.140 68 HB2 LYS 9 2HB LYS 9 10.803 -1.295 1.189 69 HB3 LYS 9 3HB LYS 9 10.845 -0.176 2.571 70 HG2 LYS 9 2HG LYS 9 9.650 -1.753 3.961 71 HG3 LYS 9 3HG LYS 9 9.391 -2.841 2.576 72 HD2 LYS 9 2HD LYS 9 12.063 -2.109 3.824 73 HD3 LYS 9 3HD LYS 9 11.213 -3.664 3.990 74 HE2 LYS 9 2HE LYS 9 11.437 -4.100 1.622 75 HE3 LYS 9 3HE LYS 9 12.130 -2.485 1.351 76 HZ1 LYS 9 3HZ LYS 9 13.367 -4.634 2.950 77 HZ2 LYS 9 1HZ LYS 9 13.830 -4.179 1.434 78 HZ3 LYS 9 2HZ LYS 9 14.009 -3.135 2.699 79 H GLU 10 H GLU 10 9.323 1.887 2.808 80 HA GLU 10 HA GLU 10 7.591 1.381 5.100 81 HB2 GLU 10 2HB GLU 10 8.951 3.855 4.029 82 HB3 GLU 10 3HB GLU 10 7.965 3.826 5.512 83 HG2 GLU 10 2HG GLU 10 9.600 2.192 6.539 84 HG3 GLU 10 3HG GLU 10 10.421 2.213 4.962 85 H ALA 11 H ALA 11 7.257 3.041 2.007 86 HA ALA 11 HA ALA 11 4.752 4.296 2.562 87 HB1 ALA 11 3HB ALA 11 5.859 3.261 -0.070 88 HB2 ALA 11 1HB ALA 11 4.494 4.385 0.113 89 HB3 ALA 11 2HB ALA 11 6.127 4.880 0.616 90 H LYS 12 H LYS 12 5.571 1.049 1.404 91 HA LYS 12 HA LYS 12 2.862 0.261 0.805 92 HB2 LYS 12 2HB LYS 12 5.314 -1.345 1.539 93 HB3 LYS 12 3HB LYS 12 3.773 -2.040 0.982 94 HG2 LYS 12 2HG LYS 12 4.034 -1.200 -1.193 95 HG3 LYS 12 3HG LYS 12 5.249 -0.003 -0.683 96 HD2 LYS 12 2HD LYS 12 6.875 -1.770 -0.277 97 HD3 LYS 12 3HD LYS 12 5.660 -3.011 -0.660 98 HE2 LYS 12 2HE LYS 12 5.470 -2.028 -2.953 99 HE3 LYS 12 3HE LYS 12 6.813 -0.936 -2.546 100 HZ1 LYS 12 3HZ LYS 12 6.948 -3.883 -2.579 101 HZ2 LYS 12 1HZ LYS 12 7.575 -2.882 -3.730 102 HZ3 LYS 12 2HZ LYS 12 8.195 -2.871 -2.201 103 H GLU 13 H GLU 13 4.889 -0.125 3.707 104 HA GLU 13 HA GLU 13 2.854 -1.629 5.138 105 HB2 GLU 13 2HB GLU 13 5.333 -0.149 6.026 106 HB3 GLU 13 3HB GLU 13 4.287 -1.092 7.116 107 HG2 GLU 13 2HG GLU 13 4.841 -3.182 5.812 108 HG3 GLU 13 3HG GLU 13 5.741 -2.113 4.712 109 H LYS 14 H LYS 14 3.829 1.785 5.063 110 HA LYS 14 HA LYS 14 2.244 2.499 7.380 111 HB2 LYS 14 2HB LYS 14 3.530 4.073 5.153 112 HB3 LYS 14 3HB LYS 14 2.583 4.836 6.453 113 HG2 LYS 14 2HG LYS 14 4.142 3.890 8.125 114 HG3 LYS 14 3HG LYS 14 5.103 3.178 6.807 115 HD2 LYS 14 2HD LYS 14 6.050 5.318 7.662 116 HD3 LYS 14 3HD LYS 14 5.632 5.373 5.932 117 HE2 LYS 14 2HE LYS 14 4.805 7.397 6.762 118 HE3 LYS 14 3HE LYS 14 3.375 6.340 6.704 119 HZ1 LYS 14 3HZ LYS 14 4.989 6.913 9.107 120 HZ2 LYS 14 1HZ LYS 14 3.505 7.551 8.774 121 HZ3 LYS 14 2HZ LYS 14 3.663 5.933 9.055 122 H ALA 15 H ALA 15 1.603 2.363 3.926 123 HA ALA 15 HA ALA 15 -0.682 4.124 4.024 124 HB1 ALA 15 3HB ALA 15 0.112 2.042 1.961 125 HB2 ALA 15 1HB ALA 15 -1.121 3.304 1.742 126 HB3 ALA 15 2HB ALA 15 0.587 3.756 1.957 127 H ILE 16 H ILE 16 -0.291 0.595 4.126 128 HA ILE 16 HA ILE 16 -3.175 0.108 3.935 129 HB ILE 16 HB ILE 16 -0.938 -1.769 4.828 130 HG12 ILE 16 2HG1 ILE 16 -0.275 -1.131 2.731 131 HG13 ILE 16 3HG1 ILE 16 -1.176 -2.642 2.475 132 HG21 ILE 16 1HG2 ILE 16 -2.526 -3.539 4.155 133 HG22 ILE 16 2HG2 ILE 16 -3.216 -2.513 5.434 134 HG23 ILE 16 3HG2 ILE 16 -3.736 -2.300 3.747 135 HD11 ILE 16 3HD1 ILE 16 -2.242 0.165 2.006 136 HD12 ILE 16 1HD1 ILE 16 -1.722 -0.976 0.744 137 HD13 ILE 16 2HD1 ILE 16 -3.143 -1.347 1.749 138 H GLU 17 H GLU 17 -0.951 0.731 6.512 139 HA GLU 17 HA GLU 17 -2.285 -0.363 8.721 140 HB2 GLU 17 2HB GLU 17 -0.172 0.907 8.786 141 HB3 GLU 17 3HB GLU 17 -1.091 2.404 8.499 142 HG2 GLU 17 2HG GLU 17 -2.281 2.053 10.716 143 HG3 GLU 17 3HG GLU 17 -1.347 0.544 10.825 144 H GLU 18 H GLU 18 -3.156 2.508 6.843 145 HA GLU 18 HA GLU 18 -5.396 3.271 8.489 146 HB2 GLU 18 2HB GLU 18 -4.827 3.646 5.546 147 HB3 GLU 18 3HB GLU 18 -6.195 4.383 6.413 148 HG2 GLU 18 2HG GLU 18 -4.590 5.700 7.827 149 HG3 GLU 18 3HG GLU 18 -3.299 4.762 7.044 150 H LEU 19 H LEU 19 -5.073 1.048 5.742 151 HA LEU 19 HA LEU 19 -7.877 0.424 5.560 152 HB2 LEU 19 2HB LEU 19 -5.333 -0.580 4.682 153 HB3 LEU 19 3HB LEU 19 -6.565 -1.863 4.667 154 HG LEU 19 HG LEU 19 -7.893 -0.714 3.066 155 HD11 LEU 19 1HD1 LEU 19 -7.341 1.603 2.278 156 HD12 LEU 19 2HD1 LEU 19 -7.656 1.574 4.029 157 HD13 LEU 19 3HD1 LEU 19 -5.983 1.653 3.426 158 HD21 LEU 19 3HD2 LEU 19 -5.979 -1.854 2.109 159 HD22 LEU 19 1HD2 LEU 19 -6.356 -0.399 1.158 160 HD23 LEU 19 2HD2 LEU 19 -4.981 -0.392 2.288 161 H LYS 20 H LYS 20 -5.231 -0.951 7.470 162 HA LYS 20 HA LYS 20 -6.737 -3.090 8.640 163 HB2 LYS 20 2HB LYS 20 -4.476 -1.435 9.775 164 HB3 LYS 20 3HB LYS 20 -5.090 -2.958 10.461 165 HG2 LYS 20 2HG LYS 20 -4.460 -4.103 8.325 166 HG3 LYS 20 3HG LYS 20 -3.712 -2.581 7.782 167 HD2 LYS 20 2HD LYS 20 -2.247 -2.635 9.801 168 HD3 LYS 20 3HD LYS 20 -2.937 -4.223 10.215 169 HE2 LYS 20 2HE LYS 20 -2.110 -5.164 8.128 170 HE3 LYS 20 3HE LYS 20 -1.495 -3.572 7.628 171 HZ1 LYS 20 3HZ LYS 20 -0.557 -5.116 9.960 172 HZ2 LYS 20 1HZ LYS 20 0.249 -4.956 8.530 173 HZ3 LYS 20 2HZ LYS 20 0.014 -3.639 9.496 174 H LYS 21 H LYS 21 -6.352 0.315 9.587 175 HA LYS 21 HA LYS 21 -8.088 0.117 11.894 176 HB2 LYS 21 2HB LYS 21 -7.277 2.417 10.117 177 HB3 LYS 21 3HB LYS 21 -8.302 2.593 11.561 178 HG2 LYS 21 2HG LYS 21 -6.494 1.772 12.982 179 HG3 LYS 21 3HG LYS 21 -5.470 1.496 11.554 180 HD2 LYS 21 2HD LYS 21 -5.566 3.923 11.046 181 HD3 LYS 21 3HD LYS 21 -6.524 4.174 12.524 182 HE2 LYS 21 2HE LYS 21 -4.684 3.328 13.889 183 HE3 LYS 21 3HE LYS 21 -3.727 3.003 12.426 184 HZ1 LYS 21 3HZ LYS 21 -4.627 5.663 13.328 185 HZ2 LYS 21 1HZ LYS 21 -3.092 5.074 13.461 186 HZ3 LYS 21 2HZ LYS 21 -3.740 5.362 11.971 187 H ALA 22 H ALA 22 -8.651 0.341 8.471 188 HA ALA 22 HA ALA 22 -11.405 1.309 8.838 189 HB1 ALA 22 3HB ALA 22 -9.911 0.422 6.346 190 HB2 ALA 22 1HB ALA 22 -11.519 1.179 6.379 191 HB3 ALA 22 2HB ALA 22 -10.094 2.096 6.919 192 H GLY 23 H GLY 23 -9.850 -1.653 9.032 193 HA2 GLY 23 2HA GLY 23 -10.926 -3.662 9.640 194 HA3 GLY 23 3HA GLY 23 -12.469 -3.011 9.037 195 H ILE 24 H ILE 24 -9.727 -2.634 6.981 196 HA ILE 24 HA ILE 24 -10.855 -4.578 5.043 197 HB ILE 24 HB ILE 24 -8.429 -2.733 4.850 198 HG12 ILE 24 2HG1 ILE 24 -10.453 -1.479 5.126 199 HG13 ILE 24 3HG1 ILE 24 -9.788 -1.307 3.485 200 HG21 ILE 24 1HG2 ILE 24 -8.593 -3.188 2.425 201 HG22 ILE 24 2HG2 ILE 24 -8.313 -4.688 3.340 202 HG23 ILE 24 3HG2 ILE 24 -9.940 -4.310 2.726 203 HD11 ILE 24 3HD1 ILE 24 -12.131 -3.072 4.280 204 HD12 ILE 24 1HD1 ILE 24 -12.243 -1.512 3.434 205 HD13 ILE 24 2HD1 ILE 24 -11.466 -2.902 2.639 206 H THR 25 H THR 25 -10.275 -6.534 4.719 207 HA THR 25 HA THR 25 -7.670 -7.433 5.905 208 HB THR 25 HB THR 25 -8.777 -9.570 6.502 209 HG1 THR 25 HG1 THR 25 -11.102 -9.602 6.428 210 HG21 THR 25 3HG2 THR 25 -10.160 -7.121 7.667 211 HG22 THR 25 1HG2 THR 25 -10.089 -8.732 8.420 212 HG23 THR 25 2HG2 THR 25 -8.598 -7.785 8.201 213 H SER 26 H SER 26 -8.718 -6.703 3.120 214 HA SER 26 HA SER 26 -8.627 -9.260 1.615 215 HB2 SER 26 2HB SER 26 -10.104 -7.614 0.921 216 HB3 SER 26 3HB SER 26 -8.780 -6.444 0.725 217 HG SER 26 HG SER 26 -9.069 -8.902 -0.663 218 H ASP 27 H ASP 27 -6.570 -10.155 1.933 219 HA ASP 27 HA ASP 27 -4.117 -8.654 1.626 220 HB2 ASP 27 2HB ASP 27 -4.669 -11.676 1.430 221 HB3 ASP 27 3HB ASP 27 -3.131 -10.797 1.247 222 H TYR 28 H TYR 28 -6.394 -9.958 -0.617 223 HA TYR 28 HA TYR 28 -4.773 -10.307 -2.914 224 HB2 TYR 28 2HB TYR 28 -7.115 -10.906 -2.858 225 HB3 TYR 28 3HB TYR 28 -7.572 -9.199 -2.645 226 HD1 TYR 28 HD1 TYR 28 -6.049 -11.612 -5.038 227 HD2 TYR 28 HD2 TYR 28 -7.819 -7.766 -4.524 228 HE1 TYR 28 HE1 TYR 28 -6.151 -11.339 -7.498 229 HE2 TYR 28 HE2 TYR 28 -7.927 -7.477 -6.977 230 HH TYR 28 HH TYR 28 -6.753 -9.992 -9.226 231 H TYR 29 H TYR 29 -6.446 -7.328 -1.855 232 HA TYR 29 HA TYR 29 -5.160 -5.747 -3.943 233 HB2 TYR 29 2HB TYR 29 -6.709 -4.983 -1.460 234 HB3 TYR 29 3HB TYR 29 -6.134 -3.837 -2.695 235 HD1 TYR 29 HD2 TYR 29 -6.890 -4.417 -5.167 236 HD2 TYR 29 HD1 TYR 29 -8.878 -5.810 -1.662 237 HE1 TYR 29 HE2 TYR 29 -8.939 -4.800 -6.495 238 HE2 TYR 29 HE1 TYR 29 -10.940 -6.200 -2.977 239 HH TYR 29 HH TYR 29 -11.104 -5.507 -6.472 240 H PHE 30 H PHE 30 -4.469 -6.512 -0.589 241 HA PHE 30 HA PHE 30 -2.357 -4.600 -0.209 242 HB2 PHE 30 2HB PHE 30 -2.714 -7.396 0.955 243 HB3 PHE 30 3HB PHE 30 -1.569 -6.169 1.544 244 HD1 PHE 30 HD2 PHE 30 -4.515 -4.587 0.459 245 HD2 PHE 30 HD1 PHE 30 -2.875 -6.866 3.679 246 HE1 PHE 30 HE2 PHE 30 -6.251 -3.691 1.975 247 HE2 PHE 30 HE1 PHE 30 -4.612 -5.975 5.197 248 HZ PHE 30 HZ PHE 30 -6.300 -4.388 4.344 249 H ASP 31 H ASP 31 -2.532 -7.604 -1.985 250 HA ASP 31 HA ASP 31 0.323 -7.897 -2.381 251 HB2 ASP 31 2HB ASP 31 -1.563 -9.687 -2.852 252 HB3 ASP 31 3HB ASP 31 -1.832 -8.618 -4.250 253 H LEU 32 H LEU 32 -2.177 -5.977 -3.931 254 HA LEU 32 HA LEU 32 -0.750 -5.542 -6.395 255 HB2 LEU 32 2HB LEU 32 -3.006 -4.482 -4.941 256 HB3 LEU 32 3HB LEU 32 -2.426 -3.357 -6.191 257 HG LEU 32 HG LEU 32 -2.698 -5.190 -7.879 258 HD11 LEU 32 1HD1 LEU 32 -4.126 -7.151 -7.237 259 HD12 LEU 32 2HD1 LEU 32 -2.620 -7.111 -6.291 260 HD13 LEU 32 3HD1 LEU 32 -4.148 -6.566 -5.557 261 HD21 LEU 32 3HD2 LEU 32 -4.383 -3.462 -7.644 262 HD22 LEU 32 1HD2 LEU 32 -5.158 -5.018 -8.023 263 HD23 LEU 32 2HD2 LEU 32 -5.194 -4.388 -6.358 264 H ILE 33 H ILE 33 -0.812 -3.822 -3.310 265 HA ILE 33 HA ILE 33 0.843 -1.609 -4.256 266 HB ILE 33 HB ILE 33 1.124 -1.098 -1.856 267 HG12 ILE 33 2HG1 ILE 33 -0.605 -3.322 -0.996 268 HG13 ILE 33 3HG1 ILE 33 1.063 -3.734 -1.457 269 HG21 ILE 33 1HG2 ILE 33 -1.255 -0.795 -1.253 270 HG22 ILE 33 2HG2 ILE 33 -0.971 -0.388 -2.961 271 HG23 ILE 33 3HG2 ILE 33 -1.725 -1.941 -2.531 272 HD11 ILE 33 3HD1 ILE 33 0.250 -1.679 0.628 273 HD12 ILE 33 1HD1 ILE 33 0.889 -3.304 0.962 274 HD13 ILE 33 2HD1 ILE 33 1.918 -2.090 0.166 275 H ASN 34 H ASN 34 1.492 -4.844 -3.242 276 HA ASN 34 HA ASN 34 4.364 -4.375 -2.902 277 HB2 ASN 34 2HB ASN 34 2.925 -7.108 -3.287 278 HB3 ASN 34 3HB ASN 34 4.610 -6.555 -3.121 279 HD21 ASN 34 1HD2 ASN 34 2.750 -8.237 -1.445 280 HD22 ASN 34 2HD2 ASN 34 2.862 -7.549 0.141 281 H LYS 35 H LYS 35 2.241 -5.439 -5.545 282 HA LYS 35 HA LYS 35 4.349 -5.582 -7.517 283 HB2 LYS 35 2HB LYS 35 1.388 -5.033 -7.687 284 HB3 LYS 35 3HB LYS 35 2.453 -5.123 -9.110 285 HG2 LYS 35 2HG LYS 35 3.032 -7.447 -8.528 286 HG3 LYS 35 3HG LYS 35 1.958 -7.356 -7.111 287 HD2 LYS 35 2HD LYS 35 0.032 -6.965 -8.584 288 HD3 LYS 35 3HD LYS 35 1.099 -7.025 -10.006 289 HE2 LYS 35 2HE LYS 35 1.701 -9.345 -9.456 290 HE3 LYS 35 3HE LYS 35 0.631 -9.286 -8.038 291 HZ1 LYS 35 3HZ LYS 35 -0.228 -8.997 -10.845 292 HZ2 LYS 35 1HZ LYS 35 -0.436 -10.341 -9.912 293 HZ3 LYS 35 2HZ LYS 35 -1.221 -8.942 -9.529 294 H ALA 36 H ALA 36 2.879 -2.961 -5.857 295 HA ALA 36 HA ALA 36 3.236 -0.995 -7.960 296 HB1 ALA 36 3HB ALA 36 2.846 -0.647 -4.968 297 HB2 ALA 36 1HB ALA 36 2.735 0.642 -6.188 298 HB3 ALA 36 2HB ALA 36 1.559 -0.694 -6.195 299 H LYS 37 H LYS 37 5.455 -1.676 -8.493 300 HA LYS 37 HA LYS 37 7.647 -1.265 -6.698 301 HB2 LYS 37 2HB LYS 37 7.609 -2.491 -8.920 302 HB3 LYS 37 3HB LYS 37 7.706 -0.888 -9.688 303 HG2 LYS 37 2HG LYS 37 9.852 -0.458 -8.677 304 HG3 LYS 37 3HG LYS 37 9.737 -1.938 -7.695 305 HD2 LYS 37 2HD LYS 37 9.701 -3.275 -9.803 306 HD3 LYS 37 3HD LYS 37 9.959 -1.772 -10.719 307 HE2 LYS 37 2HE LYS 37 12.081 -1.406 -9.578 308 HE3 LYS 37 3HE LYS 37 11.816 -2.853 -8.578 309 HZ1 LYS 37 3HZ LYS 37 12.140 -2.830 -11.510 310 HZ2 LYS 37 1HZ LYS 37 13.287 -3.302 -10.423 311 HZ3 LYS 37 2HZ LYS 37 11.895 -4.173 -10.583 312 H THR 38 H THR 38 5.519 0.989 -8.015 313 HA THR 38 HA THR 38 7.465 3.167 -7.330 314 HB THR 38 HB THR 38 6.019 4.703 -8.519 315 HG1 THR 38 HG1 THR 38 4.309 2.515 -9.163 316 HG21 THR 38 3HG2 THR 38 6.383 2.156 -10.146 317 HG22 THR 38 1HG2 THR 38 6.124 3.786 -10.810 318 HG23 THR 38 2HG2 THR 38 7.612 3.419 -9.904 319 H VAL 39 H VAL 39 6.883 4.818 -5.946 320 HA VAL 39 HA VAL 39 5.174 4.074 -3.708 321 HB VAL 39 HB VAL 39 6.404 6.739 -4.524 322 HG11 VAL 39 1HG1 VAL 39 5.873 7.452 -2.218 323 HG12 VAL 39 2HG1 VAL 39 4.393 7.058 -3.123 324 HG13 VAL 39 3HG1 VAL 39 5.041 5.906 -1.931 325 HG21 VAL 39 3HG2 VAL 39 8.057 5.049 -3.992 326 HG22 VAL 39 1HG2 VAL 39 7.991 6.292 -2.721 327 HG23 VAL 39 2HG2 VAL 39 7.234 4.703 -2.452 328 H GLU 40 H GLU 40 4.707 6.091 -6.569 329 HA GLU 40 HA GLU 40 2.176 7.176 -5.733 330 HB2 GLU 40 2HB GLU 40 3.392 6.682 -8.451 331 HB3 GLU 40 3HB GLU 40 1.837 7.511 -8.194 332 HG2 GLU 40 2HG GLU 40 3.042 9.327 -6.914 333 HG3 GLU 40 3HG GLU 40 4.505 8.338 -7.128 334 H GLY 41 H GLY 41 3.076 4.183 -7.374 335 HA2 GLY 41 2HA GLY 41 0.477 3.326 -8.116 336 HA3 GLY 41 3HA GLY 41 1.848 2.259 -7.736 337 H VAL 42 H VAL 42 2.301 2.867 -5.077 338 HA VAL 42 HA VAL 42 0.402 1.113 -3.812 339 HB VAL 42 HB VAL 42 2.413 3.066 -2.619 340 HG11 VAL 42 1HG1 VAL 42 2.130 1.763 -0.537 341 HG12 VAL 42 2HG1 VAL 42 0.602 2.538 -1.021 342 HG13 VAL 42 3HG1 VAL 42 0.851 0.800 -1.313 343 HG21 VAL 42 3HG2 VAL 42 3.444 1.341 -3.970 344 HG22 VAL 42 1HG2 VAL 42 3.772 1.072 -2.243 345 HG23 VAL 42 2HG2 VAL 42 2.552 0.083 -3.080 346 H ASN 43 H ASN 43 0.665 4.649 -3.800 347 HA ASN 43 HA ASN 43 -1.612 4.971 -2.014 348 HB2 ASN 43 2HB ASN 43 0.275 6.862 -2.502 349 HB3 ASN 43 3HB ASN 43 -0.658 6.756 -4.016 350 HD21 ASN 43 1HD2 ASN 43 -1.775 8.541 -4.183 351 HD22 ASN 43 2HD2 ASN 43 -2.782 9.233 -2.956 352 H ALA 44 H ALA 44 -1.169 5.033 -5.535 353 HA ALA 44 HA ALA 44 -3.844 5.886 -6.115 354 HB1 ALA 44 3HB ALA 44 -1.893 4.293 -7.813 355 HB2 ALA 44 1HB ALA 44 -3.365 5.099 -8.402 356 HB3 ALA 44 2HB ALA 44 -2.021 6.066 -7.747 357 H LEU 45 H LEU 45 -2.353 2.656 -5.927 358 HA LEU 45 HA LEU 45 -4.726 1.205 -6.637 359 HB2 LEU 45 2HB LEU 45 -2.431 0.547 -4.909 360 HB3 LEU 45 3HB LEU 45 -3.515 -0.734 -5.498 361 HG LEU 45 HG LEU 45 -2.071 1.048 -7.452 362 HD11 LEU 45 1HD1 LEU 45 -0.193 -0.615 -7.519 363 HD12 LEU 45 2HD1 LEU 45 -0.310 0.165 -5.924 364 HD13 LEU 45 3HD1 LEU 45 -0.936 -1.485 -6.157 365 HD21 LEU 45 3HD2 LEU 45 -3.828 -0.405 -8.280 366 HD22 LEU 45 1HD2 LEU 45 -2.249 -0.951 -8.893 367 HD23 LEU 45 2HD2 LEU 45 -3.036 -1.824 -7.555 368 H LYS 46 H LYS 46 -3.339 1.968 -3.434 369 HA LYS 46 HA LYS 46 -5.447 0.721 -1.947 370 HB2 LYS 46 2HB LYS 46 -3.114 1.545 -1.210 371 HB3 LYS 46 3HB LYS 46 -3.910 3.125 -1.009 372 HG2 LYS 46 2HG LYS 46 -5.627 1.776 0.432 373 HG3 LYS 46 3HG LYS 46 -4.326 0.565 0.525 374 HD2 LYS 46 2HD LYS 46 -4.071 1.949 2.443 375 HD3 LYS 46 3HD LYS 46 -2.800 2.441 1.299 376 HE2 LYS 46 2HE LYS 46 -4.219 4.313 0.545 377 HE3 LYS 46 3HE LYS 46 -5.465 3.829 1.717 378 HZ1 LYS 46 3HZ LYS 46 -2.729 4.703 2.387 379 HZ2 LYS 46 1HZ LYS 46 -4.095 5.612 2.560 380 HZ3 LYS 46 2HZ LYS 46 -3.884 4.255 3.476 381 H ASP 47 H ASP 47 -5.187 3.870 -3.458 382 HA ASP 47 HA ASP 47 -6.973 5.378 -1.921 383 HB2 ASP 47 2HB ASP 47 -5.612 6.108 -4.069 384 HB3 ASP 47 3HB ASP 47 -6.996 5.315 -4.861 385 H GLU 48 H GLU 48 -7.751 3.023 -4.460 386 HA GLU 48 HA GLU 48 -10.595 3.475 -4.402 387 HB2 GLU 48 2HB GLU 48 -8.920 1.080 -5.161 388 HB3 GLU 48 3HB GLU 48 -10.688 1.159 -5.352 389 HG2 GLU 48 2HG GLU 48 -10.410 3.076 -6.973 390 HG3 GLU 48 3HG GLU 48 -8.675 2.990 -6.591 391 H ILE 49 H ILE 49 -8.456 1.370 -2.528 392 HA ILE 49 HA ILE 49 -10.689 -0.020 -1.227 393 HB ILE 49 HB ILE 49 -7.735 0.126 -0.469 394 HG12 ILE 49 2HG1 ILE 49 -8.034 -0.735 -2.696 395 HG13 ILE 49 3HG1 ILE 49 -7.468 -1.981 -1.559 396 HG21 ILE 49 1HG2 ILE 49 -8.222 -1.937 0.802 397 HG22 ILE 49 2HG2 ILE 49 -9.209 -0.578 1.386 398 HG23 ILE 49 3HG2 ILE 49 -9.935 -1.819 0.339 399 HD11 ILE 49 3HD1 ILE 49 -10.318 -1.647 -2.558 400 HD12 ILE 49 1HD1 ILE 49 -9.163 -2.886 -3.101 401 HD13 ILE 49 2HD1 ILE 49 -9.753 -2.893 -1.422 402 H LEU 50 H LEU 50 -8.508 2.623 -0.342 403 HA LEU 50 HA LEU 50 -9.502 2.873 2.347 404 HB2 LEU 50 2HB LEU 50 -7.467 3.709 1.604 405 HB3 LEU 50 3HB LEU 50 -8.157 4.930 0.510 406 HG LEU 50 HG LEU 50 -9.285 5.946 2.544 407 HD11 LEU 50 1HD1 LEU 50 -8.249 5.401 4.764 408 HD12 LEU 50 2HD1 LEU 50 -9.038 3.974 4.051 409 HD13 LEU 50 3HD1 LEU 50 -7.267 4.142 3.979 410 HD21 LEU 50 3HD2 LEU 50 -7.340 6.961 1.512 411 HD22 LEU 50 1HD2 LEU 50 -7.253 7.144 3.281 412 HD23 LEU 50 2HD2 LEU 50 -6.254 5.918 2.461 413 H LYS 51 H LYS 51 -10.522 4.288 -0.732 414 HA LYS 51 HA LYS 51 -12.569 5.951 0.548 415 HB2 LYS 51 2HB LYS 51 -11.961 5.191 -2.307 416 HB3 LYS 51 3HB LYS 51 -13.347 6.204 -1.838 417 HG2 LYS 51 2HG LYS 51 -11.878 7.912 -0.960 418 HG3 LYS 51 3HG LYS 51 -10.454 6.876 -1.217 419 HD2 LYS 51 2HD LYS 51 -10.747 6.971 -3.618 420 HD3 LYS 51 3HD LYS 51 -12.283 7.852 -3.434 421 HE2 LYS 51 2HE LYS 51 -11.166 9.779 -2.555 422 HE3 LYS 51 3HE LYS 51 -9.625 8.899 -2.429 423 HZ1 LYS 51 3HZ LYS 51 -11.014 9.570 -4.944 424 HZ2 LYS 51 1HZ LYS 51 -9.675 10.332 -4.355 425 HZ3 LYS 51 2HZ LYS 51 -9.586 8.753 -4.826 426 H ALA 52 H ALA 52 -12.354 2.711 -0.700 427 HA ALA 52 HA ALA 52 -15.179 2.273 -1.015 428 HB1 ALA 52 3HB ALA 52 -12.946 0.305 -0.410 429 HB2 ALA 52 1HB ALA 52 -14.587 -0.118 -0.950 430 HB3 ALA 52 2HB ALA 52 -13.504 0.793 -2.028
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