NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
522971 | 2lfl | 17779 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 19 H1 GLY 19 5.943 -2.789 26.684 2 H2 GLY 19 H2 GLY 19 4.547 -3.449 26.139 3 H3 GLY 19 H3 GLY 19 5.852 -4.402 26.417 4 HA2 GLY 19 HA2 GLY 19 5.678 -2.315 24.335 5 HA3 GLY 19 HA3 GLY 19 7.093 -3.332 24.653 6 H ASP 20 H ASP 20 4.008 -3.136 23.087 7 HA ASP 20 HA ASP 20 3.576 -5.940 22.530 8 HB2 ASP 20 HB2 ASP 20 2.623 -3.413 21.119 9 HB3 ASP 20 HB3 ASP 20 2.059 -5.042 20.757 10 H LYS 21 H LYS 21 4.411 -7.222 21.001 11 HA LYS 21 HA LYS 21 6.328 -6.104 18.994 12 HB2 LYS 21 HB2 LYS 21 7.587 -8.103 19.222 13 HB3 LYS 21 HB3 LYS 21 7.226 -7.491 20.834 14 HG2 LYS 21 HG2 LYS 21 5.268 -9.177 20.895 15 HG3 LYS 21 HG3 LYS 21 5.946 -9.864 19.406 16 HD2 LYS 21 HD2 LYS 21 8.129 -10.187 20.628 17 HD3 LYS 21 HD3 LYS 21 7.329 -9.601 22.106 18 HE2 LYS 21 HE2 LYS 21 5.671 -11.453 21.925 19 HE3 LYS 21 HE3 LYS 21 6.482 -12.033 20.464 20 HZ1 LYS 21 HZ1 LYS 21 7.724 -11.893 23.161 21 HZ2 LYS 21 HZ2 LYS 21 8.483 -12.416 21.811 22 HZ3 LYS 21 HZ3 LYS 21 7.226 -13.257 22.420 23 H GLU 22 H GLU 22 3.269 -7.398 18.975 24 HA GLU 22 HA GLU 22 3.414 -8.965 16.496 25 HB2 GLU 22 HB2 GLU 22 1.073 -7.732 18.011 26 HB3 GLU 22 HB3 GLU 22 0.920 -8.734 16.558 27 HG2 GLU 22 HG2 GLU 22 2.028 -10.617 17.715 28 HG3 GLU 22 HG3 GLU 22 2.175 -9.641 19.180 29 H GLU 23 H GLU 23 2.424 -8.367 14.492 30 HA GLU 23 HA GLU 23 1.785 -5.561 13.935 31 HB2 GLU 23 HB2 GLU 23 3.274 -5.307 12.098 32 HB3 GLU 23 HB3 GLU 23 4.233 -5.702 13.507 33 HG2 GLU 23 HG2 GLU 23 3.448 -7.742 11.368 34 HG3 GLU 23 HG3 GLU 23 4.903 -6.771 11.306 35 H CYS 24 H CYS 24 1.201 -5.433 11.437 36 HA CYS 24 HA CYS 24 -0.480 -7.781 10.686 37 HB2 CYS 24 HB2 CYS 24 -1.928 -6.081 9.553 38 HB3 CYS 24 HB3 CYS 24 -1.960 -6.084 11.314 39 H THR 25 H THR 25 -0.287 -8.590 8.733 40 HA THR 25 HA THR 25 1.424 -7.351 6.632 41 HB THR 25 HB THR 25 1.752 -10.185 7.715 42 HG1 THR 25 HG1 THR 25 3.725 -9.413 8.474 43 HG21 THR 25 HG21 THR 25 3.369 -8.645 5.631 44 HG22 THR 25 HG22 THR 25 2.436 -10.146 5.368 45 HG23 THR 25 HG23 THR 25 3.874 -10.173 6.376 46 H VAL 26 H VAL 26 1.111 -8.398 4.516 47 HA VAL 26 HA VAL 26 -1.535 -8.797 3.744 48 HB VAL 26 HB VAL 26 -0.030 -8.142 2.130 49 HG11 VAL 26 HG11 VAL 26 1.518 -10.750 2.383 50 HG12 VAL 26 HG12 VAL 26 1.773 -9.491 1.168 51 HG13 VAL 26 HG13 VAL 26 2.097 -9.140 2.867 52 HG21 VAL 26 HG21 VAL 26 -1.887 -9.526 1.339 53 HG22 VAL 26 HG22 VAL 26 -0.474 -9.571 0.272 54 HG23 VAL 26 HG23 VAL 26 -0.813 -10.949 1.329 55 HA PRO 27 HA PRO 27 -2.108 -13.067 5.169 56 HB2 PRO 27 HB2 PRO 27 -4.794 -13.273 4.892 57 HB3 PRO 27 HB3 PRO 27 -4.067 -12.188 6.115 58 HG2 PRO 27 HG2 PRO 27 -5.034 -11.466 3.331 59 HG3 PRO 27 HG3 PRO 27 -5.473 -10.676 4.882 60 HD2 PRO 27 HD2 PRO 27 -3.472 -9.721 3.263 61 HD3 PRO 27 HD3 PRO 27 -3.374 -9.618 5.046 62 H ILE 28 H ILE 28 -3.297 -15.033 4.215 63 HA ILE 28 HA ILE 28 -2.206 -15.692 1.681 64 HB ILE 28 HB ILE 28 -4.536 -17.065 3.069 65 HG12 ILE 28 HG12 ILE 28 -2.790 -16.919 4.725 66 HG13 ILE 28 HG13 ILE 28 -2.905 -18.563 4.141 67 HG21 ILE 28 HG21 ILE 28 -3.643 -19.120 1.953 68 HG22 ILE 28 HG22 ILE 28 -4.258 -17.918 0.822 69 HG23 ILE 28 HG23 ILE 28 -2.505 -18.101 1.047 70 HD11 ILE 28 HD11 ILE 28 -0.756 -16.549 3.333 71 HD12 ILE 28 HD12 ILE 28 -0.570 -17.908 4.452 72 HD13 ILE 28 HD13 ILE 28 -0.874 -18.223 2.736 73 H GLY 29 H GLY 29 -2.880 -15.637 -0.317 74 HA2 GLY 29 HA2 GLY 29 -4.867 -15.745 -1.913 75 HA3 GLY 29 HA3 GLY 29 -5.497 -14.348 -1.035 76 H TRP 30 H TRP 30 -3.639 -12.595 -0.733 77 HA TRP 30 HA TRP 30 -2.744 -11.789 -3.414 78 HB2 TRP 30 HB2 TRP 30 -2.538 -10.325 -0.783 79 HB3 TRP 30 HB3 TRP 30 -2.261 -9.645 -2.375 80 HD1 TRP 30 HD1 TRP 30 -4.552 -9.928 -4.060 81 HE1 TRP 30 HE1 TRP 30 -6.991 -9.265 -3.463 82 HE3 TRP 30 HE3 TRP 30 -4.161 -10.160 0.948 83 HZ2 TRP 30 HZ2 TRP 30 -8.543 -8.862 -1.047 84 HZ3 TRP 30 HZ3 TRP 30 -6.142 -9.611 2.451 85 HH2 TRP 30 HH2 TRP 30 -8.309 -8.977 1.441 86 H SER 31 H SER 31 -0.632 -10.519 -3.364 87 HA SER 31 HA SER 31 1.654 -11.869 -2.027 88 HB2 SER 31 HB2 SER 31 1.372 -11.609 -5.051 89 HB3 SER 31 HB3 SER 31 2.858 -12.055 -4.195 90 HG SER 31 HG SER 31 1.697 -13.892 -4.945 91 H GLU 32 H GLU 32 2.968 -10.320 -1.276 92 HA GLU 32 HA GLU 32 2.698 -7.542 -2.067 93 HB2 GLU 32 HB2 GLU 32 4.700 -7.240 -0.502 94 HB3 GLU 32 HB3 GLU 32 3.173 -7.781 0.150 95 HG2 GLU 32 HG2 GLU 32 4.898 -8.957 1.263 96 HG3 GLU 32 HG3 GLU 32 4.004 -10.106 0.294 97 HA PRO 33 HA PRO 33 5.747 -7.247 -5.297 98 HB2 PRO 33 HB2 PRO 33 6.636 -4.648 -5.005 99 HB3 PRO 33 HB3 PRO 33 5.012 -5.079 -5.633 100 HG2 PRO 33 HG2 PRO 33 5.796 -4.276 -2.835 101 HG3 PRO 33 HG3 PRO 33 4.431 -3.682 -3.838 102 HD2 PRO 33 HD2 PRO 33 4.119 -5.622 -1.949 103 HD3 PRO 33 HD3 PRO 33 3.187 -5.648 -3.474 104 H VAL 34 H VAL 34 7.649 -8.243 -5.285 105 HA VAL 34 HA VAL 34 9.508 -8.242 -3.058 106 HB VAL 34 HB VAL 34 9.143 -10.146 -4.588 107 HG11 VAL 34 HG11 VAL 34 10.226 -10.282 -6.756 108 HG12 VAL 34 HG12 VAL 34 9.064 -8.952 -6.768 109 HG13 VAL 34 HG13 VAL 34 10.805 -8.613 -6.631 110 HG21 VAL 34 HG21 VAL 34 11.423 -10.920 -4.673 111 HG22 VAL 34 HG22 VAL 34 12.051 -9.268 -4.528 112 HG23 VAL 34 HG23 VAL 34 11.166 -10.011 -3.175 113 H LYS 35 H LYS 35 9.192 -6.316 -5.903 114 HA LYS 35 HA LYS 35 11.819 -5.076 -5.939 115 HB2 LYS 35 HB2 LYS 35 10.873 -3.637 -7.639 116 HB3 LYS 35 HB3 LYS 35 10.340 -5.295 -7.918 117 HG2 LYS 35 HG2 LYS 35 8.148 -4.770 -6.866 118 HG3 LYS 35 HG3 LYS 35 8.646 -3.095 -6.629 119 HD2 LYS 35 HD2 LYS 35 8.447 -4.506 -9.325 120 HD3 LYS 35 HD3 LYS 35 7.165 -3.524 -8.634 121 HE2 LYS 35 HE2 LYS 35 9.952 -2.487 -9.327 122 HE3 LYS 35 HE3 LYS 35 8.544 -2.374 -10.379 123 HZ1 LYS 35 HZ1 LYS 35 8.776 -1.085 -7.714 124 HZ2 LYS 35 HZ2 LYS 35 7.430 -1.029 -8.636 125 HZ3 LYS 35 HZ3 LYS 35 8.804 -0.329 -9.160 126 H GLY 36 H GLY 36 12.093 -2.711 -5.773 127 HA2 GLY 36 HA2 GLY 36 10.268 -1.098 -4.187 128 HA3 GLY 36 HA3 GLY 36 11.763 -1.480 -3.318 129 H LEU 37 H LEU 37 10.738 1.105 -4.317 130 HA LEU 37 HA LEU 37 13.164 2.067 -5.676 131 HB2 LEU 37 HB2 LEU 37 11.619 1.310 -7.496 132 HB3 LEU 37 HB3 LEU 37 10.414 2.451 -6.903 133 HG LEU 37 HG LEU 37 12.074 4.328 -7.388 134 HD11 LEU 37 HD11 LEU 37 14.179 3.029 -7.397 135 HD12 LEU 37 HD12 LEU 37 13.926 3.829 -8.951 136 HD13 LEU 37 HD13 LEU 37 13.601 2.090 -8.789 137 HD21 LEU 37 HD21 LEU 37 11.301 2.553 -9.736 138 HD22 LEU 37 HD22 LEU 37 11.707 4.284 -9.811 139 HD23 LEU 37 HD23 LEU 37 10.256 3.756 -8.945 140 H CYS 38 H CYS 38 13.345 2.940 -3.552 141 HA CYS 38 HA CYS 38 11.624 5.005 -2.522 142 HB2 CYS 38 HB2 CYS 38 14.564 4.419 -1.948 143 HB3 CYS 38 HB3 CYS 38 13.507 5.457 -0.975 144 HG CYS 38 HG CYS 38 13.817 3.186 0.280 145 H LYS 39 H LYS 39 13.474 5.178 -5.218 146 HA LYS 39 HA LYS 39 14.653 7.820 -5.128 147 HB2 LYS 39 HB2 LYS 39 13.826 6.119 -7.523 148 HB3 LYS 39 HB3 LYS 39 14.889 7.506 -7.597 149 HG2 LYS 39 HG2 LYS 39 15.455 4.895 -6.132 150 HG3 LYS 39 HG3 LYS 39 16.098 5.339 -7.696 151 HD2 LYS 39 HD2 LYS 39 16.716 6.949 -5.170 152 HD3 LYS 39 HD3 LYS 39 17.619 5.536 -5.671 153 HE2 LYS 39 HE2 LYS 39 18.895 7.293 -6.474 154 HE3 LYS 39 HE3 LYS 39 18.082 6.640 -7.894 155 HZ1 LYS 39 HZ1 LYS 39 17.241 9.082 -6.407 156 HZ2 LYS 39 HZ2 LYS 39 16.520 8.514 -7.767 157 HZ3 LYS 39 HZ3 LYS 39 18.045 9.078 -7.823 158 H ALA 40 H ALA 40 11.364 6.861 -5.699 159 HA ALA 40 HA ALA 40 10.551 9.119 -7.297 160 HB1 ALA 40 HB1 ALA 40 8.258 8.416 -6.657 161 HB2 ALA 40 HB2 ALA 40 9.248 7.039 -7.181 162 HB3 ALA 40 HB3 ALA 40 8.940 7.303 -5.450 163 H ARG 41 H ARG 41 9.183 10.844 -6.674 164 HA ARG 41 HA ARG 41 9.906 12.181 -4.105 165 HB2 ARG 41 HB2 ARG 41 8.614 13.222 -6.661 166 HB3 ARG 41 HB3 ARG 41 8.982 14.206 -5.237 167 HG2 ARG 41 HG2 ARG 41 11.392 13.685 -5.452 168 HG3 ARG 41 HG3 ARG 41 11.061 12.652 -6.845 169 HD2 ARG 41 HD2 ARG 41 11.865 14.709 -7.688 170 HD3 ARG 41 HD3 ARG 41 10.137 14.618 -8.070 171 HE ARG 41 HE ARG 41 10.440 16.009 -5.596 172 HH11 ARG 41 HH11 ARG 41 11.191 16.579 -8.957 173 HH12 ARG 41 HH12 ARG 41 11.120 18.313 -8.784 174 HH21 ARG 41 HH21 ARG 41 10.349 18.220 -5.425 175 HH22 ARG 41 HH22 ARG 41 10.651 19.208 -6.823 176 H PHE 42 H PHE 42 7.653 10.034 -4.711 177 HA PHE 42 HA PHE 42 5.705 10.995 -2.812 178 HB2 PHE 42 HB2 PHE 42 3.831 10.357 -4.275 179 HB3 PHE 42 HB3 PHE 42 4.733 11.685 -4.973 180 HD1 PHE 42 HD1 PHE 42 6.216 11.309 -6.976 181 HD2 PHE 42 HD2 PHE 42 3.722 8.170 -5.382 182 HE1 PHE 42 HE1 PHE 42 6.472 10.036 -9.085 183 HE2 PHE 42 HE2 PHE 42 3.995 6.892 -7.496 184 HZ PHE 42 HZ PHE 42 5.362 7.827 -9.348 185 H THR 43 H THR 43 4.374 9.150 -2.250 186 HA THR 43 HA THR 43 5.404 6.402 -2.729 187 HB THR 43 HB THR 43 4.857 7.423 0.091 188 HG1 THR 43 HG1 THR 43 7.328 7.046 -1.261 189 HG21 THR 43 HG21 THR 43 6.121 4.875 -1.013 190 HG22 THR 43 HG22 THR 43 4.621 5.041 -0.070 191 HG23 THR 43 HG23 THR 43 6.173 5.366 0.699 192 H ARG 44 H ARG 44 3.807 4.746 -2.305 193 HA ARG 44 HA ARG 44 1.006 5.734 -2.031 194 HB2 ARG 44 HB2 ARG 44 2.110 5.084 -4.399 195 HB3 ARG 44 HB3 ARG 44 1.785 3.452 -3.841 196 HG2 ARG 44 HG2 ARG 44 -0.057 4.058 -5.110 197 HG3 ARG 44 HG3 ARG 44 -0.646 4.226 -3.459 198 HD2 ARG 44 HD2 ARG 44 -1.474 6.128 -4.620 199 HD3 ARG 44 HD3 ARG 44 -0.089 6.745 -3.722 200 HE ARG 44 HE ARG 44 1.013 7.164 -5.729 201 HH11 ARG 44 HH11 ARG 44 -1.775 5.171 -6.514 202 HH12 ARG 44 HH12 ARG 44 -1.584 5.449 -8.220 203 HH21 ARG 44 HH21 ARG 44 1.201 7.434 -7.916 204 HH22 ARG 44 HH22 ARG 44 0.090 6.638 -8.987 205 H TYR 45 H TYR 45 -0.487 4.386 -1.111 206 HA TYR 45 HA TYR 45 0.504 2.045 0.449 207 HB2 TYR 45 HB2 TYR 45 -1.095 4.338 1.627 208 HB3 TYR 45 HB3 TYR 45 -0.405 2.958 2.476 209 HD1 TYR 45 HD2 TYR 45 2.211 2.751 2.446 210 HD2 TYR 45 HD1 TYR 45 0.055 6.390 1.635 211 HE1 TYR 45 HE2 TYR 45 4.267 4.107 2.947 212 HE2 TYR 45 HE1 TYR 45 2.090 7.718 2.120 213 HH TYR 45 HH TYR 45 4.268 7.668 2.834 214 H TYR 46 H TYR 46 -0.888 0.373 0.371 215 HA TYR 46 HA TYR 46 -3.737 0.838 -0.474 216 HB2 TYR 46 HB2 TYR 46 -1.840 -1.291 -1.495 217 HB3 TYR 46 HB3 TYR 46 -3.529 -1.144 -1.904 218 HD1 TYR 46 HD2 TYR 46 -0.172 0.424 -2.375 219 HD2 TYR 46 HD1 TYR 46 -4.310 0.365 -3.599 220 HE1 TYR 46 HE2 TYR 46 0.438 1.569 -4.493 221 HE2 TYR 46 HE1 TYR 46 -3.689 1.603 -5.678 222 HH TYR 46 HH TYR 46 -0.308 2.378 -6.483 223 H CYS 47 H CYS 47 -5.224 -0.238 0.683 224 HA CYS 47 HA CYS 47 -4.454 -1.898 2.951 225 HB2 CYS 47 HB2 CYS 47 -6.368 -0.349 3.064 226 HB3 CYS 47 HB3 CYS 47 -7.199 -1.294 1.820 227 H MET 48 H MET 48 -4.102 -3.997 2.962 228 HA MET 48 HA MET 48 -5.000 -5.765 0.725 229 HB2 MET 48 HB2 MET 48 -3.132 -6.167 3.082 230 HB3 MET 48 HB3 MET 48 -3.716 -7.516 2.097 231 HG2 MET 48 HG2 MET 48 -2.285 -5.114 0.910 232 HG3 MET 48 HG3 MET 48 -1.474 -6.579 1.465 233 HE1 MET 48 HE1 MET 48 -0.803 -5.806 -1.460 234 HE2 MET 48 HE2 MET 48 -0.300 -7.293 -0.624 235 HE3 MET 48 HE3 MET 48 -1.035 -7.384 -2.241 236 H GLY 49 H GLY 49 -4.909 -6.808 4.088 237 HA2 GLY 49 HA2 GLY 49 -7.736 -7.720 3.927 238 HA3 GLY 49 HA3 GLY 49 -6.529 -8.205 5.117 239 H ASN 50 H ASN 50 -5.660 -6.090 6.320 240 HA ASN 50 HA ASN 50 -7.953 -4.434 7.254 241 HB2 ASN 50 HB2 ASN 50 -7.352 -4.806 9.551 242 HB3 ASN 50 HB3 ASN 50 -7.635 -6.361 8.774 243 HD21 ASN 50 HD21 ASN 50 -6.101 -5.731 11.258 244 HD22 ASN 50 HD22 ASN 50 -4.499 -6.371 10.920 245 H CYS 51 H CYS 51 -4.397 -4.707 7.375 246 HA CYS 51 HA CYS 51 -4.114 -1.770 7.704 247 HB2 CYS 51 HB2 CYS 51 -2.148 -4.090 7.680 248 HB3 CYS 51 HB3 CYS 51 -1.680 -2.407 7.894 249 H CYS 52 H CYS 52 -2.438 -0.658 6.404 250 HA CYS 52 HA CYS 52 -2.270 -1.595 3.590 251 HB2 CYS 52 HB2 CYS 52 -2.297 0.771 2.907 252 HB3 CYS 52 HB3 CYS 52 -3.818 0.146 3.529 253 H LYS 53 H LYS 53 -0.374 -2.374 3.364 254 HA LYS 53 HA LYS 53 2.110 -1.221 4.424 255 HB2 LYS 53 HB2 LYS 53 1.296 -3.545 2.713 256 HB3 LYS 53 HB3 LYS 53 2.943 -2.958 2.483 257 HG2 LYS 53 HG2 LYS 53 3.549 -3.362 4.759 258 HG3 LYS 53 HG3 LYS 53 1.873 -3.452 5.255 259 HD2 LYS 53 HD2 LYS 53 2.396 -5.641 5.354 260 HD3 LYS 53 HD3 LYS 53 1.723 -5.581 3.729 261 HE2 LYS 53 HE2 LYS 53 4.693 -5.516 4.474 262 HE3 LYS 53 HE3 LYS 53 3.777 -6.932 3.942 263 HZ1 LYS 53 HZ1 LYS 53 3.363 -5.771 1.843 264 HZ2 LYS 53 HZ2 LYS 53 4.965 -6.054 2.103 265 HZ3 LYS 53 HZ3 LYS 53 4.374 -4.551 2.315 266 H VAL 54 H VAL 54 3.862 -0.823 3.010 267 HA VAL 54 HA VAL 54 3.198 1.264 0.997 268 HB VAL 54 HB VAL 54 4.707 1.897 2.797 269 HG11 VAL 54 HG11 VAL 54 6.770 -0.040 1.697 270 HG12 VAL 54 HG12 VAL 54 6.984 1.134 3.004 271 HG13 VAL 54 HG13 VAL 54 5.893 -0.242 3.232 272 HG21 VAL 54 HG21 VAL 54 6.228 1.803 0.161 273 HG22 VAL 54 HG22 VAL 54 4.872 2.891 0.511 274 HG23 VAL 54 HG23 VAL 54 6.371 3.003 1.459 275 H TYR 55 H TYR 55 3.397 1.110 -1.041 276 HA TYR 55 HA TYR 55 5.011 -1.041 -2.315 277 HB2 TYR 55 HB2 TYR 55 2.133 -0.381 -3.039 278 HB3 TYR 55 HB3 TYR 55 3.148 -1.577 -3.824 279 HD1 TYR 55 HD2 TYR 55 4.353 -2.989 -1.453 280 HD2 TYR 55 HD1 TYR 55 0.329 -1.690 -2.215 281 HE1 TYR 55 HE2 TYR 55 3.494 -4.714 0.113 282 HE2 TYR 55 HE1 TYR 55 -0.532 -3.402 -0.626 283 HH TYR 55 HH TYR 55 0.046 -5.066 0.865 284 H GLU 56 H GLU 56 5.387 -0.655 -4.620 285 HA GLU 56 HA GLU 56 5.473 2.256 -5.324 286 HB2 GLU 56 HB2 GLU 56 7.722 0.228 -5.359 287 HB3 GLU 56 HB3 GLU 56 7.784 1.718 -6.294 288 HG2 GLU 56 HG2 GLU 56 7.433 1.575 -3.269 289 HG3 GLU 56 HG3 GLU 56 8.952 1.865 -4.106 290 H GLY 57 H GLY 57 3.612 1.853 -6.520 291 HA2 GLY 57 HA2 GLY 57 3.995 1.857 -9.269 292 HA3 GLY 57 HA3 GLY 57 3.486 0.206 -8.881 293 H CYS 58 H CYS 58 1.937 1.722 -10.520 294 HA CYS 58 HA CYS 58 -0.346 2.869 -9.021 295 HB2 CYS 58 HB2 CYS 58 0.224 2.537 -11.994 296 HB3 CYS 58 HB3 CYS 58 -1.249 3.257 -11.326 297 HG CYS 58 HG CYS 58 1.894 4.191 -10.776 298 H TYR 59 H TYR 59 -0.636 0.814 -7.872 299 HA TYR 59 HA TYR 59 -1.707 -1.530 -9.211 300 HB2 TYR 59 HB2 TYR 59 -0.358 -1.264 -6.987 301 HB3 TYR 59 HB3 TYR 59 -1.910 -0.986 -6.239 302 HD1 TYR 59 HD1 TYR 59 -3.695 -2.975 -7.657 303 HD2 TYR 59 HD2 TYR 59 0.391 -3.321 -6.271 304 HE1 TYR 59 HE1 TYR 59 -3.946 -5.412 -7.536 305 HE2 TYR 59 HE2 TYR 59 0.108 -5.783 -6.099 306 HH TYR 59 HH TYR 59 -2.951 -7.415 -7.025 307 H THR 60 H THR 60 -3.383 -0.552 -10.428 308 HA THR 60 HA THR 60 -5.481 0.167 -10.963 309 HB THR 60 HB THR 60 -6.572 -1.165 -8.484 310 HG1 THR 60 HG1 THR 60 -6.379 -3.121 -9.615 311 HG21 THR 60 HG21 THR 60 -7.428 -1.177 -11.424 312 HG22 THR 60 HG22 THR 60 -8.195 -0.211 -10.149 313 HG23 THR 60 HG23 THR 60 -8.282 -1.973 -10.083 314 H GLY 61 H GLY 61 -3.967 2.040 -9.445 315 HA2 GLY 61 HA2 GLY 61 -4.271 4.271 -8.861 316 HA3 GLY 61 HA3 GLY 61 -6.014 4.041 -8.897 317 H GLY 62 H GLY 62 -6.743 2.515 -7.015 318 HA2 GLY 62 HA2 GLY 62 -7.310 2.391 -4.785 319 HA3 GLY 62 HA3 GLY 62 -5.584 2.225 -4.507 320 H TYR 63 H TYR 63 -4.743 3.650 -3.110 321 HA TYR 63 HA TYR 63 -6.035 6.314 -2.675 322 HB2 TYR 63 HB2 TYR 63 -4.832 4.550 -0.524 323 HB3 TYR 63 HB3 TYR 63 -5.671 6.072 -0.297 324 HD1 TYR 63 HD2 TYR 63 -8.198 6.106 -1.260 325 HD2 TYR 63 HD1 TYR 63 -6.003 2.576 -0.103 326 HE1 TYR 63 HE2 TYR 63 -10.339 4.885 -0.922 327 HE2 TYR 63 HE1 TYR 63 -8.158 1.363 0.258 328 HH TYR 63 HH TYR 63 -11.325 2.881 -0.411 329 H SER 64 H SER 64 -4.706 7.986 -2.013 330 HA SER 64 HA SER 64 -1.778 7.672 -2.557 331 HB2 SER 64 HB2 SER 64 -3.581 10.060 -3.035 332 HB3 SER 64 HB3 SER 64 -1.844 9.970 -3.393 333 HG SER 64 HG SER 64 -3.172 9.506 -5.230 334 H ARG 65 H ARG 65 -3.580 7.920 0.067 335 HA ARG 65 HA ARG 65 -1.492 9.354 1.646 336 HB2 ARG 65 HB2 ARG 65 -4.505 9.758 1.750 337 HB3 ARG 65 HB3 ARG 65 -3.515 10.078 3.160 338 HG2 ARG 65 HG2 ARG 65 -3.031 11.450 0.482 339 HG3 ARG 65 HG3 ARG 65 -4.109 12.073 1.733 340 HD2 ARG 65 HD2 ARG 65 -2.161 11.997 3.366 341 HD3 ARG 65 HD3 ARG 65 -1.117 11.576 2.013 342 HE ARG 65 HE ARG 65 -1.187 13.765 1.250 343 HH11 ARG 65 HH11 ARG 65 -3.681 13.511 3.701 344 HH12 ARG 65 HH12 ARG 65 -3.912 15.236 3.764 345 HH21 ARG 65 HH21 ARG 65 -1.522 15.942 1.395 346 HH22 ARG 65 HH22 ARG 65 -2.717 16.567 2.493 347 H MET 66 H MET 66 -0.938 8.347 3.489 348 HA MET 66 HA MET 66 -1.755 5.651 4.007 349 HB2 MET 66 HB2 MET 66 0.441 6.545 4.610 350 HB3 MET 66 HB3 MET 66 -0.295 7.598 5.819 351 HG2 MET 66 HG2 MET 66 -1.104 5.666 7.066 352 HG3 MET 66 HG3 MET 66 -0.559 4.557 5.815 353 HE1 MET 66 HE1 MET 66 1.680 3.437 5.743 354 HE2 MET 66 HE2 MET 66 2.219 4.970 5.024 355 HE3 MET 66 HE3 MET 66 3.188 4.198 6.298 356 H GLY 67 H GLY 67 -2.954 8.748 5.246 357 HA2 GLY 67 HA2 GLY 67 -4.649 7.767 7.337 358 HA3 GLY 67 HA3 GLY 67 -4.874 9.275 6.448 359 H GLU 68 H GLU 68 -5.273 8.244 3.863 360 HA GLU 68 HA GLU 68 -8.069 7.481 3.931 361 HB2 GLU 68 HB2 GLU 68 -6.066 7.596 1.650 362 HB3 GLU 68 HB3 GLU 68 -7.765 7.188 1.442 363 HG2 GLU 68 HG2 GLU 68 -6.678 9.813 2.537 364 HG3 GLU 68 HG3 GLU 68 -7.351 9.552 0.931 365 H CYS 69 H CYS 69 -5.118 5.567 3.100 366 HA CYS 69 HA CYS 69 -6.697 3.203 2.565 367 HB2 CYS 69 HB2 CYS 69 -4.648 2.048 2.360 368 HB3 CYS 69 HB3 CYS 69 -4.457 3.640 1.650 369 H ALA 70 H ALA 70 -5.564 4.591 5.540 370 HA ALA 70 HA ALA 70 -6.091 2.238 7.195 371 HB1 ALA 70 HB1 ALA 70 -5.602 5.178 7.868 372 HB2 ALA 70 HB2 ALA 70 -5.696 3.846 9.043 373 HB3 ALA 70 HB3 ALA 70 -4.391 3.884 7.839 374 H ARG 71 H ARG 71 -7.736 5.498 6.957 375 HA ARG 71 HA ARG 71 -9.881 4.760 8.612 376 HB2 ARG 71 HB2 ARG 71 -10.738 6.878 8.169 377 HB3 ARG 71 HB3 ARG 71 -9.002 7.059 7.932 378 HG2 ARG 71 HG2 ARG 71 -9.663 6.541 5.373 379 HG3 ARG 71 HG3 ARG 71 -11.251 7.078 5.915 380 HD2 ARG 71 HD2 ARG 71 -8.659 8.617 5.712 381 HD3 ARG 71 HD3 ARG 71 -10.238 8.956 4.985 382 HE ARG 71 HE ARG 71 -10.192 9.059 7.902 383 HH11 ARG 71 HH11 ARG 71 -9.465 10.975 5.035 384 HH12 ARG 71 HH12 ARG 71 -9.654 12.483 5.896 385 HH21 ARG 71 HH21 ARG 71 -10.476 11.045 8.915 386 HH22 ARG 71 HH22 ARG 71 -10.195 12.514 8.030 387 H ASN 72 H ASN 72 -9.614 4.213 5.172 388 HA ASN 72 HA ASN 72 -12.445 3.450 4.851 389 HB2 ASN 72 HB2 ASN 72 -10.035 3.281 2.993 390 HB3 ASN 72 HB3 ASN 72 -11.665 2.789 2.555 391 HD21 ASN 72 HD21 ASN 72 -9.576 5.356 2.404 392 HD22 ASN 72 HD22 ASN 72 -10.755 6.635 2.107 393 H CYS 73 H CYS 73 -9.912 1.870 6.362 394 HA CYS 73 HA CYS 73 -11.050 -0.833 5.824 395 HB2 CYS 73 HB2 CYS 73 -8.323 0.221 5.468 396 HB3 CYS 73 HB3 CYS 73 -8.374 -1.185 6.495 397 HA PRO 74 HA PRO 74 -11.445 -1.335 10.138 398 HB2 PRO 74 HB2 PRO 74 -11.036 -3.979 10.628 399 HB3 PRO 74 HB3 PRO 74 -12.371 -3.378 9.599 400 HG2 PRO 74 HG2 PRO 74 -9.667 -4.420 8.725 401 HG3 PRO 74 HG3 PRO 74 -11.279 -4.899 8.108 402 HD2 PRO 74 HD2 PRO 74 -9.742 -3.043 6.834 403 HD3 PRO 74 HD3 PRO 74 -11.521 -2.893 6.899 404 H GLY 75 H GLY 75 -8.273 -1.690 8.955 405 HA2 GLY 75 HA2 GLY 75 -6.978 -2.049 11.633 406 HA3 GLY 75 HA3 GLY 75 -6.184 -2.161 10.067 Start of MODEL 2 1 H1 GLY 19 H1 GLY 19 2.594 0.955 19.434 2 H2 GLY 19 H2 GLY 19 3.558 1.444 18.203 3 H3 GLY 19 H3 GLY 19 2.039 0.920 17.892 4 HA2 GLY 19 HA2 GLY 19 3.635 -0.785 17.286 5 HA3 GLY 19 HA3 GLY 19 4.249 -0.727 18.946 6 H ASP 20 H ASP 20 1.852 -2.055 16.843 7 HA ASP 20 HA ASP 20 0.014 -3.012 18.895 8 HB2 ASP 20 HB2 ASP 20 -0.346 -2.559 16.326 9 HB3 ASP 20 HB3 ASP 20 0.293 -4.186 16.118 10 H LYS 21 H LYS 21 -0.419 -5.433 18.993 11 HA LYS 21 HA LYS 21 2.049 -6.984 19.670 12 HB2 LYS 21 HB2 LYS 21 -0.927 -7.395 20.210 13 HB3 LYS 21 HB3 LYS 21 0.255 -8.679 20.408 14 HG2 LYS 21 HG2 LYS 21 -0.106 -7.762 22.544 15 HG3 LYS 21 HG3 LYS 21 1.522 -7.309 22.040 16 HD2 LYS 21 HD2 LYS 21 0.781 -5.003 21.598 17 HD3 LYS 21 HD3 LYS 21 -0.908 -5.473 21.840 18 HE2 LYS 21 HE2 LYS 21 -0.185 -4.334 23.813 19 HE3 LYS 21 HE3 LYS 21 -0.395 -6.039 24.215 20 HZ1 LYS 21 HZ1 LYS 21 2.028 -6.303 24.051 21 HZ2 LYS 21 HZ2 LYS 21 1.674 -5.134 25.128 22 HZ3 LYS 21 HZ3 LYS 21 2.217 -4.729 23.644 23 H GLU 22 H GLU 22 -0.593 -6.881 17.343 24 HA GLU 22 HA GLU 22 0.076 -9.444 16.064 25 HB2 GLU 22 HB2 GLU 22 -1.750 -7.154 15.218 26 HB3 GLU 22 HB3 GLU 22 -1.644 -8.709 14.400 27 HG2 GLU 22 HG2 GLU 22 -2.587 -8.302 17.269 28 HG3 GLU 22 HG3 GLU 22 -3.609 -8.565 15.867 29 H GLU 23 H GLU 23 0.258 -9.367 13.559 30 HA GLU 23 HA GLU 23 2.275 -7.354 12.644 31 HB2 GLU 23 HB2 GLU 23 2.132 -10.319 11.959 32 HB3 GLU 23 HB3 GLU 23 3.208 -9.141 11.205 33 HG2 GLU 23 HG2 GLU 23 4.270 -8.699 13.416 34 HG3 GLU 23 HG3 GLU 23 3.246 -9.939 14.147 35 H CYS 24 H CYS 24 2.190 -6.827 10.400 36 HA CYS 24 HA CYS 24 -0.552 -6.972 9.253 37 HB2 CYS 24 HB2 CYS 24 1.746 -5.041 8.935 38 HB3 CYS 24 HB3 CYS 24 0.388 -5.069 7.805 39 H THR 25 H THR 25 0.263 -9.334 8.905 40 HA THR 25 HA THR 25 1.560 -9.895 6.352 41 HB THR 25 HB THR 25 0.443 -12.151 6.678 42 HG1 THR 25 HG1 THR 25 -1.281 -11.579 7.991 43 HG21 THR 25 HG21 THR 25 2.097 -11.146 9.034 44 HG22 THR 25 HG22 THR 25 2.743 -11.717 7.477 45 HG23 THR 25 HG23 THR 25 1.870 -12.836 8.537 46 H VAL 26 H VAL 26 0.418 -10.872 4.555 47 HA VAL 26 HA VAL 26 -1.959 -9.331 3.753 48 HB VAL 26 HB VAL 26 -1.641 -10.329 1.558 49 HG11 VAL 26 HG11 VAL 26 0.456 -9.340 0.988 50 HG12 VAL 26 HG12 VAL 26 -0.228 -8.386 2.317 51 HG13 VAL 26 HG13 VAL 26 1.090 -9.533 2.633 52 HG21 VAL 26 HG21 VAL 26 -0.920 -12.610 2.103 53 HG22 VAL 26 HG22 VAL 26 0.261 -11.806 1.073 54 HG23 VAL 26 HG23 VAL 26 0.594 -11.994 2.800 55 HA PRO 27 HA PRO 27 -4.799 -12.873 4.205 56 HB2 PRO 27 HB2 PRO 27 -6.824 -12.217 2.529 57 HB3 PRO 27 HB3 PRO 27 -6.487 -11.261 4.004 58 HG2 PRO 27 HG2 PRO 27 -5.556 -10.700 1.174 59 HG3 PRO 27 HG3 PRO 27 -6.407 -9.587 2.295 60 HD2 PRO 27 HD2 PRO 27 -3.683 -9.601 2.013 61 HD3 PRO 27 HD3 PRO 27 -4.457 -9.268 3.588 62 H ILE 28 H ILE 28 -6.004 -14.395 2.615 63 HA ILE 28 HA ILE 28 -4.124 -15.959 1.277 64 HB ILE 28 HB ILE 28 -7.117 -16.001 0.733 65 HG12 ILE 28 HG12 ILE 28 -6.808 -17.991 2.552 66 HG13 ILE 28 HG13 ILE 28 -5.553 -16.920 3.149 67 HG21 ILE 28 HG21 ILE 28 -6.740 -18.411 0.320 68 HG22 ILE 28 HG22 ILE 28 -5.825 -17.418 -0.803 69 HG23 ILE 28 HG23 ILE 28 -4.996 -18.185 0.575 70 HD11 ILE 28 HD11 ILE 28 -7.735 -16.608 4.288 71 HD12 ILE 28 HD12 ILE 28 -7.292 -15.123 3.438 72 HD13 ILE 28 HD13 ILE 28 -8.506 -16.216 2.741 73 H GLY 29 H GLY 29 -3.319 -16.114 -0.665 74 HA2 GLY 29 HA2 GLY 29 -3.644 -16.132 -3.104 75 HA3 GLY 29 HA3 GLY 29 -4.372 -14.533 -2.995 76 H TRP 30 H TRP 30 -2.622 -13.159 -1.399 77 HA TRP 30 HA TRP 30 -0.309 -12.782 -3.167 78 HB2 TRP 30 HB2 TRP 30 -1.362 -11.107 -0.891 79 HB3 TRP 30 HB3 TRP 30 -0.071 -10.642 -1.996 80 HD1 TRP 30 HD1 TRP 30 -0.952 -10.953 -4.750 81 HE1 TRP 30 HE1 TRP 30 -3.055 -9.851 -5.777 82 HE3 TRP 30 HE3 TRP 30 -3.605 -10.314 -0.509 83 HZ2 TRP 30 HZ2 TRP 30 -5.580 -8.811 -4.833 84 HZ3 TRP 30 HZ3 TRP 30 -5.900 -9.220 -0.554 85 HH2 TRP 30 HH2 TRP 30 -6.869 -8.486 -2.711 86 H SER 31 H SER 31 1.617 -11.707 -1.721 87 HA SER 31 HA SER 31 2.409 -13.554 0.473 88 HB2 SER 31 HB2 SER 31 3.339 -14.504 -1.607 89 HB3 SER 31 HB3 SER 31 4.191 -12.986 -1.921 90 HG SER 31 HG SER 31 4.555 -14.810 0.247 91 H GLU 32 H GLU 32 4.389 -11.055 -1.219 92 HA GLU 32 HA GLU 32 3.940 -9.116 0.938 93 HB2 GLU 32 HB2 GLU 32 6.213 -9.073 1.680 94 HB3 GLU 32 HB3 GLU 32 5.698 -10.758 1.685 95 HG2 GLU 32 HG2 GLU 32 6.877 -11.096 -0.502 96 HG3 GLU 32 HG3 GLU 32 7.463 -9.432 -0.406 97 HA PRO 33 HA PRO 33 5.188 -6.238 -2.366 98 HB2 PRO 33 HB2 PRO 33 6.128 -4.080 -0.974 99 HB3 PRO 33 HB3 PRO 33 4.406 -4.516 -1.070 100 HG2 PRO 33 HG2 PRO 33 6.348 -5.175 1.158 101 HG3 PRO 33 HG3 PRO 33 4.700 -4.480 1.288 102 HD2 PRO 33 HD2 PRO 33 5.179 -7.138 1.624 103 HD3 PRO 33 HD3 PRO 33 3.686 -6.554 0.833 104 H VAL 34 H VAL 34 6.773 -7.819 -3.019 105 HA VAL 34 HA VAL 34 9.560 -7.711 -2.206 106 HB VAL 34 HB VAL 34 8.371 -8.661 -4.846 107 HG11 VAL 34 HG11 VAL 34 10.799 -8.303 -5.063 108 HG12 VAL 34 HG12 VAL 34 11.086 -9.221 -3.566 109 HG13 VAL 34 HG13 VAL 34 10.443 -10.029 -5.012 110 HG21 VAL 34 HG21 VAL 34 8.585 -10.932 -3.864 111 HG22 VAL 34 HG22 VAL 34 9.076 -10.213 -2.315 112 HG23 VAL 34 HG23 VAL 34 7.441 -9.944 -2.960 113 H LYS 35 H LYS 35 7.723 -6.164 -4.766 114 HA LYS 35 HA LYS 35 9.948 -4.460 -5.731 115 HB2 LYS 35 HB2 LYS 35 6.991 -4.589 -6.485 116 HB3 LYS 35 HB3 LYS 35 8.199 -3.640 -7.339 117 HG2 LYS 35 HG2 LYS 35 8.167 -6.685 -7.123 118 HG3 LYS 35 HG3 LYS 35 7.602 -5.755 -8.495 119 HD2 LYS 35 HD2 LYS 35 10.494 -5.751 -7.513 120 HD3 LYS 35 HD3 LYS 35 9.853 -6.776 -8.798 121 HE2 LYS 35 HE2 LYS 35 9.157 -4.753 -10.077 122 HE3 LYS 35 HE3 LYS 35 9.875 -3.726 -8.830 123 HZ1 LYS 35 HZ1 LYS 35 12.037 -4.744 -9.336 124 HZ2 LYS 35 HZ2 LYS 35 11.404 -4.081 -10.686 125 HZ3 LYS 35 HZ3 LYS 35 11.367 -5.697 -10.482 126 H GLY 36 H GLY 36 9.305 -2.099 -6.112 127 HA2 GLY 36 HA2 GLY 36 8.437 -0.024 -5.302 128 HA3 GLY 36 HA3 GLY 36 7.900 -0.805 -3.821 129 H LEU 37 H LEU 37 10.911 -0.167 -5.601 130 HA LEU 37 HA LEU 37 12.230 0.952 -3.170 131 HB2 LEU 37 HB2 LEU 37 13.531 -0.956 -5.171 132 HB3 LEU 37 HB3 LEU 37 14.362 -0.041 -3.926 133 HG LEU 37 HG LEU 37 12.624 -1.283 -2.297 134 HD11 LEU 37 HD11 LEU 37 11.505 -2.588 -4.116 135 HD12 LEU 37 HD12 LEU 37 12.344 -3.636 -2.975 136 HD13 LEU 37 HD13 LEU 37 13.070 -3.292 -4.560 137 HD21 LEU 37 HD21 LEU 37 14.380 -2.958 -1.878 138 HD22 LEU 37 HD22 LEU 37 15.068 -1.345 -2.108 139 HD23 LEU 37 HD23 LEU 37 15.159 -2.540 -3.422 140 H CYS 38 H CYS 38 10.823 2.119 -5.524 141 HA CYS 38 HA CYS 38 12.649 3.171 -7.463 142 HB2 CYS 38 HB2 CYS 38 9.853 4.058 -6.608 143 HB3 CYS 38 HB3 CYS 38 10.672 4.559 -8.101 144 HG CYS 38 HG CYS 38 8.849 2.779 -8.691 145 H LYS 39 H LYS 39 12.859 5.514 -7.893 146 HA LYS 39 HA LYS 39 13.663 7.083 -5.459 147 HB2 LYS 39 HB2 LYS 39 14.740 7.133 -8.296 148 HB3 LYS 39 HB3 LYS 39 15.309 8.161 -6.991 149 HG2 LYS 39 HG2 LYS 39 15.522 5.107 -6.949 150 HG3 LYS 39 HG3 LYS 39 16.750 6.202 -7.547 151 HD2 LYS 39 HD2 LYS 39 17.545 5.816 -5.438 152 HD3 LYS 39 HD3 LYS 39 16.695 7.333 -5.229 153 HE2 LYS 39 HE2 LYS 39 16.209 6.022 -3.328 154 HE3 LYS 39 HE3 LYS 39 14.730 6.015 -4.280 155 HZ1 LYS 39 HZ1 LYS 39 15.265 3.771 -5.025 156 HZ2 LYS 39 HZ2 LYS 39 15.360 3.809 -3.413 157 HZ3 LYS 39 HZ3 LYS 39 16.734 3.814 -4.292 158 H ALA 40 H ALA 40 11.031 6.989 -7.018 159 HA ALA 40 HA ALA 40 10.541 9.616 -8.077 160 HB1 ALA 40 HB1 ALA 40 9.181 7.635 -8.590 161 HB2 ALA 40 HB2 ALA 40 8.595 7.547 -6.905 162 HB3 ALA 40 HB3 ALA 40 8.138 8.910 -7.917 163 H ARG 41 H ARG 41 8.719 10.956 -7.108 164 HA ARG 41 HA ARG 41 9.558 11.873 -4.393 165 HB2 ARG 41 HB2 ARG 41 8.005 13.353 -6.563 166 HB3 ARG 41 HB3 ARG 41 8.597 14.017 -5.045 167 HG2 ARG 41 HG2 ARG 41 10.287 14.739 -6.341 168 HG3 ARG 41 HG3 ARG 41 10.963 13.154 -5.941 169 HD2 ARG 41 HD2 ARG 41 10.136 12.279 -8.121 170 HD3 ARG 41 HD3 ARG 41 9.416 13.863 -8.474 171 HE ARG 41 HE ARG 41 12.180 14.238 -7.911 172 HH11 ARG 41 HH11 ARG 41 10.255 12.825 -10.469 173 HH12 ARG 41 HH12 ARG 41 11.486 13.102 -11.672 174 HH21 ARG 41 HH21 ARG 41 13.696 14.580 -9.483 175 HH22 ARG 41 HH22 ARG 41 13.380 14.080 -11.117 176 H PHE 42 H PHE 42 7.190 9.921 -5.417 177 HA PHE 42 HA PHE 42 5.114 10.900 -3.501 178 HB2 PHE 42 HB2 PHE 42 3.435 10.094 -5.188 179 HB3 PHE 42 HB3 PHE 42 4.305 11.565 -5.553 180 HD1 PHE 42 HD1 PHE 42 5.932 11.708 -7.419 181 HD2 PHE 42 HD2 PHE 42 3.812 8.052 -6.549 182 HE1 PHE 42 HE1 PHE 42 6.533 10.861 -9.628 183 HE2 PHE 42 HE2 PHE 42 4.436 7.175 -8.810 184 HZ PHE 42 HZ PHE 42 5.809 8.586 -10.353 185 H THR 43 H THR 43 5.427 9.569 -1.868 186 HA THR 43 HA THR 43 5.751 6.693 -2.061 187 HB THR 43 HB THR 43 4.790 8.145 0.426 188 HG1 THR 43 HG1 THR 43 7.464 7.877 -0.512 189 HG21 THR 43 HG21 THR 43 4.927 5.671 0.490 190 HG22 THR 43 HG22 THR 43 6.148 6.414 1.537 191 HG23 THR 43 HG23 THR 43 6.623 5.745 -0.037 192 H ARG 44 H ARG 44 4.091 5.659 -3.090 193 HA ARG 44 HA ARG 44 1.279 6.210 -2.368 194 HB2 ARG 44 HB2 ARG 44 2.184 5.690 -4.764 195 HB3 ARG 44 HB3 ARG 44 2.241 4.010 -4.235 196 HG2 ARG 44 HG2 ARG 44 0.155 4.284 -5.357 197 HG3 ARG 44 HG3 ARG 44 -0.234 4.194 -3.651 198 HD2 ARG 44 HD2 ARG 44 -1.554 5.954 -4.502 199 HD3 ARG 44 HD3 ARG 44 -0.260 6.772 -3.647 200 HE ARG 44 HE ARG 44 0.474 6.424 -6.406 201 HH11 ARG 44 HH11 ARG 44 -1.708 8.380 -4.486 202 HH12 ARG 44 HH12 ARG 44 -1.707 9.675 -5.661 203 HH21 ARG 44 HH21 ARG 44 0.439 8.106 -7.848 204 HH22 ARG 44 HH22 ARG 44 -0.514 9.516 -7.505 205 H TYR 45 H TYR 45 -0.124 4.870 -1.347 206 HA TYR 45 HA TYR 45 0.976 2.515 0.111 207 HB2 TYR 45 HB2 TYR 45 -1.057 4.475 1.223 208 HB3 TYR 45 HB3 TYR 45 -0.204 3.211 2.088 209 HD1 TYR 45 HD1 TYR 45 2.387 3.465 2.327 210 HD2 TYR 45 HD2 TYR 45 -0.271 6.717 1.313 211 HE1 TYR 45 HE1 TYR 45 4.087 5.105 3.103 212 HE2 TYR 45 HE2 TYR 45 1.464 8.344 2.022 213 HH TYR 45 HH TYR 45 4.570 7.321 3.457 214 H TYR 46 H TYR 46 -0.513 0.813 0.597 215 HA TYR 46 HA TYR 46 -3.339 1.019 -0.263 216 HB2 TYR 46 HB2 TYR 46 -1.507 -1.153 -1.354 217 HB3 TYR 46 HB3 TYR 46 -3.253 -1.144 -1.494 218 HD1 TYR 46 HD1 TYR 46 -4.428 0.462 -3.000 219 HD2 TYR 46 HD2 TYR 46 -0.142 0.259 -2.723 220 HE1 TYR 46 HE1 TYR 46 -4.227 1.712 -5.154 221 HE2 TYR 46 HE2 TYR 46 0.074 1.515 -4.844 222 HH TYR 46 HH TYR 46 -1.034 2.555 -6.516 223 H CYS 47 H CYS 47 -4.721 -0.460 0.694 224 HA CYS 47 HA CYS 47 -3.738 -1.908 3.084 225 HB2 CYS 47 HB2 CYS 47 -5.699 -0.365 3.260 226 HB3 CYS 47 HB3 CYS 47 -6.571 -1.409 2.138 227 H MET 48 H MET 48 -3.059 -3.900 2.805 228 HA MET 48 HA MET 48 -3.996 -5.675 0.666 229 HB2 MET 48 HB2 MET 48 -2.074 -5.876 2.976 230 HB3 MET 48 HB3 MET 48 -2.702 -7.377 2.291 231 HG2 MET 48 HG2 MET 48 -1.537 -5.204 0.532 232 HG3 MET 48 HG3 MET 48 -0.543 -6.459 1.273 233 HE1 MET 48 HE1 MET 48 0.419 -7.268 -1.001 234 HE2 MET 48 HE2 MET 48 -0.578 -7.653 -2.425 235 HE3 MET 48 HE3 MET 48 -0.499 -5.982 -1.821 236 H GLY 49 H GLY 49 -4.703 -5.449 4.161 237 HA2 GLY 49 HA2 GLY 49 -7.178 -7.042 3.788 238 HA3 GLY 49 HA3 GLY 49 -5.940 -7.784 4.799 239 H ASN 50 H ASN 50 -5.365 -6.731 6.801 240 HA ASN 50 HA ASN 50 -7.582 -5.184 8.007 241 HB2 ASN 50 HB2 ASN 50 -5.042 -6.376 9.201 242 HB3 ASN 50 HB3 ASN 50 -6.270 -5.503 10.116 243 HD21 ASN 50 HD21 ASN 50 -5.311 -8.607 9.412 244 HD22 ASN 50 HD22 ASN 50 -6.888 -9.366 9.601 245 H CYS 51 H CYS 51 -4.181 -4.686 7.199 246 HA CYS 51 HA CYS 51 -4.346 -1.774 7.807 247 HB2 CYS 51 HB2 CYS 51 -1.793 -2.253 8.441 248 HB3 CYS 51 HB3 CYS 51 -3.099 -2.338 9.603 249 H CYS 52 H CYS 52 -2.423 -0.577 6.830 250 HA CYS 52 HA CYS 52 -1.904 -1.615 4.090 251 HB2 CYS 52 HB2 CYS 52 -1.982 0.701 3.303 252 HB3 CYS 52 HB3 CYS 52 -3.518 0.096 3.898 253 H LYS 53 H LYS 53 -0.188 -0.950 2.940 254 HA LYS 53 HA LYS 53 2.307 -0.120 4.378 255 HB2 LYS 53 HB2 LYS 53 1.782 -2.591 2.672 256 HB3 LYS 53 HB3 LYS 53 3.391 -1.956 2.847 257 HG2 LYS 53 HG2 LYS 53 3.663 -2.962 4.836 258 HG3 LYS 53 HG3 LYS 53 2.282 -2.104 5.491 259 HD2 LYS 53 HD2 LYS 53 1.740 -4.368 5.785 260 HD3 LYS 53 HD3 LYS 53 0.800 -3.896 4.352 261 HE2 LYS 53 HE2 LYS 53 2.520 -4.898 2.881 262 HE3 LYS 53 HE3 LYS 53 3.547 -5.239 4.281 263 HZ1 LYS 53 HZ1 LYS 53 0.883 -6.456 3.796 264 HZ2 LYS 53 HZ2 LYS 53 1.801 -6.729 5.120 265 HZ3 LYS 53 HZ3 LYS 53 2.327 -7.219 3.649 266 H VAL 54 H VAL 54 4.064 0.108 2.772 267 HA VAL 54 HA VAL 54 3.330 2.052 0.664 268 HB VAL 54 HB VAL 54 5.038 2.715 2.193 269 HG11 VAL 54 HG11 VAL 54 7.242 1.646 2.366 270 HG12 VAL 54 HG12 VAL 54 5.978 0.559 2.939 271 HG13 VAL 54 HG13 VAL 54 6.704 0.310 1.336 272 HG21 VAL 54 HG21 VAL 54 6.428 2.050 -0.417 273 HG22 VAL 54 HG22 VAL 54 5.253 3.376 -0.216 274 HG23 VAL 54 HG23 VAL 54 6.779 3.385 0.692 275 H TYR 55 H TYR 55 3.538 1.782 -1.439 276 HA TYR 55 HA TYR 55 4.762 -0.695 -2.617 277 HB2 TYR 55 HB2 TYR 55 1.993 0.391 -3.198 278 HB3 TYR 55 HB3 TYR 55 2.787 -0.849 -4.149 279 HD1 TYR 55 HD2 TYR 55 1.406 -0.121 -0.771 280 HD2 TYR 55 HD1 TYR 55 2.821 -3.149 -3.485 281 HE1 TYR 55 HE2 TYR 55 0.685 -1.900 0.840 282 HE2 TYR 55 HE1 TYR 55 2.070 -4.922 -1.888 283 HH TYR 55 HH TYR 55 0.561 -4.116 1.245 284 H GLU 56 H GLU 56 4.064 2.690 -2.988 285 HA GLU 56 HA GLU 56 4.855 4.309 -4.401 286 HB2 GLU 56 HB2 GLU 56 7.102 2.358 -4.934 287 HB3 GLU 56 HB3 GLU 56 7.132 4.106 -5.190 288 HG2 GLU 56 HG2 GLU 56 6.687 4.435 -2.737 289 HG3 GLU 56 HG3 GLU 56 6.900 2.691 -2.516 290 H GLY 57 H GLY 57 3.115 2.130 -5.820 291 HA2 GLY 57 HA2 GLY 57 3.385 3.408 -8.484 292 HA3 GLY 57 HA3 GLY 57 3.538 1.649 -8.423 293 H CYS 58 H CYS 58 1.622 2.608 -10.002 294 HA CYS 58 HA CYS 58 -0.996 2.773 -8.699 295 HB2 CYS 58 HB2 CYS 58 -0.196 2.512 -11.613 296 HB3 CYS 58 HB3 CYS 58 -1.837 2.799 -11.021 297 HG CYS 58 HG CYS 58 -1.393 5.007 -9.767 298 H TYR 59 H TYR 59 -0.333 0.671 -7.519 299 HA TYR 59 HA TYR 59 -0.384 -1.896 -8.651 300 HB2 TYR 59 HB2 TYR 59 0.203 -1.330 -6.308 301 HB3 TYR 59 HB3 TYR 59 -1.487 -0.977 -5.969 302 HD1 TYR 59 HD2 TYR 59 0.954 -3.663 -6.714 303 HD2 TYR 59 HD1 TYR 59 -3.126 -2.743 -5.638 304 HE1 TYR 59 HE2 TYR 59 0.547 -6.063 -6.193 305 HE2 TYR 59 HE1 TYR 59 -3.538 -5.143 -5.145 306 HH TYR 59 HH TYR 59 -0.979 -7.626 -5.537 307 H THR 60 H THR 60 -3.109 0.039 -7.585 308 HA THR 60 HA THR 60 -4.917 -1.355 -9.484 309 HB THR 60 HB THR 60 -5.186 -2.561 -7.357 310 HG1 THR 60 HG1 THR 60 -6.938 -2.448 -8.736 311 HG21 THR 60 HG21 THR 60 -6.357 -1.555 -5.464 312 HG22 THR 60 HG22 THR 60 -6.308 0.040 -6.236 313 HG23 THR 60 HG23 THR 60 -4.801 -0.762 -5.725 314 H GLY 61 H GLY 61 -4.074 1.545 -7.766 315 HA2 GLY 61 HA2 GLY 61 -5.307 3.221 -9.700 316 HA3 GLY 61 HA3 GLY 61 -6.320 3.211 -8.250 317 H GLY 62 H GLY 62 -5.429 3.966 -6.264 318 HA2 GLY 62 HA2 GLY 62 -3.071 4.464 -5.283 319 HA3 GLY 62 HA3 GLY 62 -3.038 5.756 -6.476 320 H TYR 63 H TYR 63 -3.952 4.896 -3.313 321 HA TYR 63 HA TYR 63 -5.719 7.087 -2.653 322 HB2 TYR 63 HB2 TYR 63 -3.660 5.526 -1.040 323 HB3 TYR 63 HB3 TYR 63 -4.705 6.749 -0.351 324 HD1 TYR 63 HD2 TYR 63 -7.329 6.440 -0.968 325 HD2 TYR 63 HD1 TYR 63 -4.392 3.293 -0.755 326 HE1 TYR 63 HE2 TYR 63 -9.125 4.786 -0.448 327 HE2 TYR 63 HE1 TYR 63 -6.185 1.649 -0.206 328 HH TYR 63 HH TYR 63 -8.432 1.312 0.051 329 H SER 64 H SER 64 -5.182 9.061 -1.585 330 HA SER 64 HA SER 64 -2.878 10.488 -2.735 331 HB2 SER 64 HB2 SER 64 -5.196 11.448 -2.537 332 HB3 SER 64 HB3 SER 64 -5.013 11.430 -0.775 333 HG SER 64 HG SER 64 -3.508 12.914 -2.695 334 H ARG 65 H ARG 65 -3.926 9.355 0.451 335 HA ARG 65 HA ARG 65 -1.239 9.722 1.644 336 HB2 ARG 65 HB2 ARG 65 -3.813 11.066 2.579 337 HB3 ARG 65 HB3 ARG 65 -2.568 10.663 3.747 338 HG2 ARG 65 HG2 ARG 65 -2.055 12.441 1.326 339 HG3 ARG 65 HG3 ARG 65 -2.512 13.023 2.928 340 HD2 ARG 65 HD2 ARG 65 -0.525 11.941 3.922 341 HD3 ARG 65 HD3 ARG 65 -0.012 11.392 2.312 342 HE ARG 65 HE ARG 65 -0.343 14.163 2.094 343 HH11 ARG 65 HH11 ARG 65 1.749 12.075 3.968 344 HH12 ARG 65 HH12 ARG 65 3.026 13.256 4.033 345 HH21 ARG 65 HH21 ARG 65 1.322 15.627 2.208 346 HH22 ARG 65 HH22 ARG 65 2.782 15.213 3.056 347 H MET 66 H MET 66 -0.929 8.557 3.582 348 HA MET 66 HA MET 66 -2.007 5.926 3.526 349 HB2 MET 66 HB2 MET 66 0.269 6.671 4.321 350 HB3 MET 66 HB3 MET 66 -0.480 7.258 5.787 351 HG2 MET 66 HG2 MET 66 -1.234 4.899 6.260 352 HG3 MET 66 HG3 MET 66 -0.494 4.409 4.728 353 HE1 MET 66 HE1 MET 66 2.424 2.794 6.301 354 HE2 MET 66 HE2 MET 66 0.671 2.488 6.219 355 HE3 MET 66 HE3 MET 66 1.539 3.098 4.789 356 H GLY 67 H GLY 67 -3.104 8.761 5.300 357 HA2 GLY 67 HA2 GLY 67 -4.815 7.496 7.216 358 HA3 GLY 67 HA3 GLY 67 -5.026 9.114 6.551 359 H GLU 68 H GLU 68 -5.205 7.815 3.723 360 HA GLU 68 HA GLU 68 -8.091 7.244 3.768 361 HB2 GLU 68 HB2 GLU 68 -6.141 7.198 1.454 362 HB3 GLU 68 HB3 GLU 68 -7.901 7.032 1.367 363 HG2 GLU 68 HG2 GLU 68 -8.100 9.303 2.465 364 HG3 GLU 68 HG3 GLU 68 -6.353 9.495 2.253 365 H CYS 69 H CYS 69 -5.077 5.380 3.070 366 HA CYS 69 HA CYS 69 -6.508 2.914 2.591 367 HB2 CYS 69 HB2 CYS 69 -4.426 1.829 2.541 368 HB3 CYS 69 HB3 CYS 69 -4.277 3.366 1.721 369 H ALA 70 H ALA 70 -5.530 4.509 5.520 370 HA ALA 70 HA ALA 70 -6.096 2.295 7.319 371 HB1 ALA 70 HB1 ALA 70 -4.642 4.185 7.957 372 HB2 ALA 70 HB2 ALA 70 -5.990 5.323 7.766 373 HB3 ALA 70 HB3 ALA 70 -6.046 4.083 9.037 374 H ARG 71 H ARG 71 -8.016 5.320 6.638 375 HA ARG 71 HA ARG 71 -10.251 4.435 8.132 376 HB2 ARG 71 HB2 ARG 71 -11.423 6.326 7.378 377 HB3 ARG 71 HB3 ARG 71 -9.727 6.793 7.449 378 HG2 ARG 71 HG2 ARG 71 -9.643 6.301 4.918 379 HG3 ARG 71 HG3 ARG 71 -11.395 6.126 4.975 380 HD2 ARG 71 HD2 ARG 71 -10.884 8.338 4.219 381 HD3 ARG 71 HD3 ARG 71 -11.582 8.453 5.846 382 HE ARG 71 HE ARG 71 -8.748 8.317 6.108 383 HH11 ARG 71 HH11 ARG 71 -11.026 10.610 4.767 384 HH12 ARG 71 HH12 ARG 71 -10.013 11.978 5.135 385 HH21 ARG 71 HH21 ARG 71 -7.569 10.093 6.667 386 HH22 ARG 71 HH22 ARG 71 -8.080 11.678 6.165 387 H ASN 72 H ASN 72 -9.563 3.680 4.800 388 HA ASN 72 HA ASN 72 -12.215 2.528 4.251 389 HB2 ASN 72 HB2 ASN 72 -9.560 2.546 2.763 390 HB3 ASN 72 HB3 ASN 72 -10.950 1.622 2.207 391 HD21 ASN 72 HD21 ASN 72 -9.643 4.838 2.518 392 HD22 ASN 72 HD22 ASN 72 -10.975 5.630 1.651 393 H CYS 73 H CYS 73 -9.679 1.422 6.185 394 HA CYS 73 HA CYS 73 -10.478 -1.436 5.875 395 HB2 CYS 73 HB2 CYS 73 -7.850 -0.073 5.806 396 HB3 CYS 73 HB3 CYS 73 -7.899 -1.475 6.840 397 HA PRO 74 HA PRO 74 -11.517 -1.586 10.053 398 HB2 PRO 74 HB2 PRO 74 -10.996 -4.120 10.868 399 HB3 PRO 74 HB3 PRO 74 -12.135 -3.761 9.533 400 HG2 PRO 74 HG2 PRO 74 -9.207 -4.520 9.324 401 HG3 PRO 74 HG3 PRO 74 -10.596 -5.279 8.477 402 HD2 PRO 74 HD2 PRO 74 -9.084 -3.362 7.282 403 HD3 PRO 74 HD3 PRO 74 -10.853 -3.427 7.035 404 H GLY 75 H GLY 75 -8.149 -1.785 9.461 405 HA2 GLY 75 HA2 GLY 75 -7.469 -1.096 12.299 406 HA3 GLY 75 HA3 GLY 75 -6.583 -2.369 11.460 Start of MODEL 3 1 H1 GLY 19 H1 GLY 19 14.707 -8.031 3.903 2 H2 GLY 19 H2 GLY 19 15.661 -7.498 2.680 3 H3 GLY 19 H3 GLY 19 14.710 -6.443 3.499 4 HA2 GLY 19 HA2 GLY 19 13.736 -6.909 1.353 5 HA3 GLY 19 HA3 GLY 19 13.756 -8.633 1.760 6 H ASP 20 H ASP 20 11.684 -6.231 1.406 7 HA ASP 20 HA ASP 20 10.266 -6.184 3.958 8 HB2 ASP 20 HB2 ASP 20 9.734 -4.918 1.257 9 HB3 ASP 20 HB3 ASP 20 8.669 -4.727 2.652 10 H LYS 21 H LYS 21 9.763 -8.367 4.255 11 HA LYS 21 HA LYS 21 7.587 -9.742 2.876 12 HB2 LYS 21 HB2 LYS 21 8.739 -9.912 5.702 13 HB3 LYS 21 HB3 LYS 21 7.336 -10.838 5.209 14 HG2 LYS 21 HG2 LYS 21 9.030 -12.340 4.957 15 HG3 LYS 21 HG3 LYS 21 8.703 -11.818 3.306 16 HD2 LYS 21 HD2 LYS 21 10.729 -10.435 3.305 17 HD3 LYS 21 HD3 LYS 21 10.970 -10.737 5.045 18 HE2 LYS 21 HE2 LYS 21 11.129 -13.201 4.524 19 HE3 LYS 21 HE3 LYS 21 11.050 -12.808 2.803 20 HZ1 LYS 21 HZ1 LYS 21 13.111 -11.526 3.079 21 HZ2 LYS 21 HZ2 LYS 21 13.344 -13.065 3.567 22 HZ3 LYS 21 HZ3 LYS 21 13.168 -11.884 4.678 23 H GLU 22 H GLU 22 5.519 -10.188 4.314 24 HA GLU 22 HA GLU 22 3.921 -7.809 4.485 25 HB2 GLU 22 HB2 GLU 22 2.221 -9.193 5.456 26 HB3 GLU 22 HB3 GLU 22 2.983 -10.046 4.115 27 HG2 GLU 22 HG2 GLU 22 4.358 -11.342 5.786 28 HG3 GLU 22 HG3 GLU 22 3.461 -10.551 7.085 29 H GLU 23 H GLU 23 3.195 -6.593 6.212 30 HA GLU 23 HA GLU 23 4.781 -6.767 8.758 31 HB2 GLU 23 HB2 GLU 23 4.361 -4.380 8.993 32 HB3 GLU 23 HB3 GLU 23 5.324 -4.815 7.575 33 HG2 GLU 23 HG2 GLU 23 3.447 -4.368 6.092 34 HG3 GLU 23 HG3 GLU 23 2.368 -4.129 7.468 35 H CYS 24 H CYS 24 1.585 -6.501 7.521 36 HA CYS 24 HA CYS 24 0.407 -6.885 10.261 37 HB2 CYS 24 HB2 CYS 24 -0.851 -5.520 7.865 38 HB3 CYS 24 HB3 CYS 24 -1.585 -5.731 9.450 39 H THR 25 H THR 25 -1.005 -7.295 7.047 40 HA THR 25 HA THR 25 -0.940 -10.209 7.006 41 HB THR 25 HB THR 25 -3.599 -8.720 7.244 42 HG1 THR 25 HG1 THR 25 -2.091 -9.748 9.074 43 HG21 THR 25 HG21 THR 25 -4.647 -10.989 7.158 44 HG22 THR 25 HG22 THR 25 -3.080 -11.672 6.676 45 HG23 THR 25 HG23 THR 25 -3.929 -10.511 5.622 46 H VAL 26 H VAL 26 -1.365 -10.955 4.834 47 HA VAL 26 HA VAL 26 -2.214 -8.949 2.815 48 HB VAL 26 HB VAL 26 -0.671 -9.954 1.150 49 HG11 VAL 26 HG11 VAL 26 -0.128 -7.831 2.270 50 HG12 VAL 26 HG12 VAL 26 0.759 -8.719 3.523 51 HG13 VAL 26 HG13 VAL 26 1.320 -8.757 1.837 52 HG21 VAL 26 HG21 VAL 26 0.702 -11.293 3.499 53 HG22 VAL 26 HG22 VAL 26 -0.192 -12.117 2.201 54 HG23 VAL 26 HG23 VAL 26 1.283 -11.222 1.824 55 HA PRO 27 HA PRO 27 -4.988 -12.146 1.397 56 HB2 PRO 27 HB2 PRO 27 -5.066 -11.699 -1.335 57 HB3 PRO 27 HB3 PRO 27 -5.905 -10.690 -0.122 58 HG2 PRO 27 HG2 PRO 27 -3.197 -10.178 -1.407 59 HG3 PRO 27 HG3 PRO 27 -4.568 -9.040 -1.217 60 HD2 PRO 27 HD2 PRO 27 -2.511 -9.033 0.510 61 HD3 PRO 27 HD3 PRO 27 -4.176 -8.834 1.115 62 H ILE 28 H ILE 28 -4.999 -14.190 0.410 63 HA ILE 28 HA ILE 28 -2.445 -15.504 0.137 64 HB ILE 28 HB ILE 28 -3.742 -17.500 -0.500 65 HG12 ILE 28 HG12 ILE 28 -6.253 -15.790 -0.170 66 HG13 ILE 28 HG13 ILE 28 -5.609 -16.329 -1.722 67 HG21 ILE 28 HG21 ILE 28 -4.875 -16.077 1.949 68 HG22 ILE 28 HG22 ILE 28 -4.727 -17.828 1.693 69 HG23 ILE 28 HG23 ILE 28 -3.275 -16.843 1.864 70 HD11 ILE 28 HD11 ILE 28 -6.661 -18.130 0.489 71 HD12 ILE 28 HD12 ILE 28 -7.399 -17.802 -1.084 72 HD13 ILE 28 HD13 ILE 28 -5.873 -18.704 -1.002 73 H GLY 29 H GLY 29 -1.512 -16.530 -1.634 74 HA2 GLY 29 HA2 GLY 29 -0.824 -16.836 -3.805 75 HA3 GLY 29 HA3 GLY 29 -2.408 -16.306 -4.351 76 H TRP 30 H TRP 30 -1.294 -13.709 -2.574 77 HA TRP 30 HA TRP 30 -0.595 -12.169 -4.924 78 HB2 TRP 30 HB2 TRP 30 -1.804 -11.630 -2.544 79 HB3 TRP 30 HB3 TRP 30 -0.190 -11.048 -2.184 80 HD1 TRP 30 HD1 TRP 30 -3.144 -10.553 -4.560 81 HE1 TRP 30 HE1 TRP 30 -3.094 -8.180 -5.572 82 HE3 TRP 30 HE3 TRP 30 1.281 -8.939 -2.604 83 HZ2 TRP 30 HZ2 TRP 30 -1.287 -5.943 -5.649 84 HZ3 TRP 30 HZ3 TRP 30 2.176 -6.680 -3.201 85 HH2 TRP 30 HH2 TRP 30 0.897 -5.181 -4.703 86 H SER 31 H SER 31 1.319 -10.575 -4.694 87 HA SER 31 HA SER 31 3.846 -11.977 -3.885 88 HB2 SER 31 HB2 SER 31 3.313 -10.619 -6.553 89 HB3 SER 31 HB3 SER 31 4.871 -11.258 -6.005 90 HG SER 31 HG SER 31 3.891 -13.345 -5.905 91 H GLU 32 H GLU 32 4.275 -10.694 -2.150 92 HA GLU 32 HA GLU 32 3.886 -7.858 -2.097 93 HB2 GLU 32 HB2 GLU 32 5.118 -7.905 0.009 94 HB3 GLU 32 HB3 GLU 32 3.819 -9.075 -0.042 95 HG2 GLU 32 HG2 GLU 32 6.669 -9.944 -0.647 96 HG3 GLU 32 HG3 GLU 32 6.151 -9.651 1.002 97 HA PRO 33 HA PRO 33 7.599 -6.399 -4.038 98 HB2 PRO 33 HB2 PRO 33 7.683 -3.803 -3.275 99 HB3 PRO 33 HB3 PRO 33 6.340 -4.459 -4.249 100 HG2 PRO 33 HG2 PRO 33 6.408 -4.088 -1.229 101 HG3 PRO 33 HG3 PRO 33 5.165 -3.515 -2.387 102 HD2 PRO 33 HD2 PRO 33 4.882 -5.858 -1.030 103 HD3 PRO 33 HD3 PRO 33 4.331 -5.686 -2.724 104 H VAL 34 H VAL 34 8.778 -7.988 -2.711 105 HA VAL 34 HA VAL 34 9.990 -7.485 -0.210 106 HB VAL 34 HB VAL 34 9.698 -9.682 -1.203 107 HG11 VAL 34 HG11 VAL 34 10.325 -9.234 -3.552 108 HG12 VAL 34 HG12 VAL 34 12.023 -9.045 -3.058 109 HG13 VAL 34 HG13 VAL 34 11.208 -10.605 -2.877 110 HG21 VAL 34 HG21 VAL 34 11.343 -9.399 0.617 111 HG22 VAL 34 HG22 VAL 34 11.737 -10.737 -0.475 112 HG23 VAL 34 HG23 VAL 34 12.638 -9.216 -0.598 113 H LYS 35 H LYS 35 10.964 -6.369 -3.297 114 HA LYS 35 HA LYS 35 13.524 -5.159 -2.297 115 HB2 LYS 35 HB2 LYS 35 12.510 -6.055 -5.007 116 HB3 LYS 35 HB3 LYS 35 13.882 -4.939 -4.870 117 HG2 LYS 35 HG2 LYS 35 15.053 -6.577 -3.388 118 HG3 LYS 35 HG3 LYS 35 13.768 -7.745 -3.694 119 HD2 LYS 35 HD2 LYS 35 15.561 -6.484 -5.819 120 HD3 LYS 35 HD3 LYS 35 15.791 -8.086 -5.104 121 HE2 LYS 35 HE2 LYS 35 13.581 -8.809 -5.975 122 HE3 LYS 35 HE3 LYS 35 13.344 -7.215 -6.706 123 HZ1 LYS 35 HZ1 LYS 35 15.310 -7.624 -8.086 124 HZ2 LYS 35 HZ2 LYS 35 14.211 -8.806 -8.322 125 HZ3 LYS 35 HZ3 LYS 35 15.533 -9.096 -7.413 126 H GLY 36 H GLY 36 10.492 -4.150 -2.376 127 HA2 GLY 36 HA2 GLY 36 10.529 -1.796 -4.054 128 HA3 GLY 36 HA3 GLY 36 9.285 -2.248 -2.896 129 H LEU 37 H LEU 37 12.713 -1.333 -2.530 130 HA LEU 37 HA LEU 37 12.225 0.278 -0.147 131 HB2 LEU 37 HB2 LEU 37 14.713 -0.413 -1.762 132 HB3 LEU 37 HB3 LEU 37 14.735 0.692 -0.396 133 HG LEU 37 HG LEU 37 13.806 -1.108 1.078 134 HD11 LEU 37 HD11 LEU 37 14.533 -2.888 -1.293 135 HD12 LEU 37 HD12 LEU 37 12.937 -2.748 -0.500 136 HD13 LEU 37 HD13 LEU 37 14.283 -3.466 0.369 137 HD21 LEU 37 HD21 LEU 37 16.005 -2.174 1.351 138 HD22 LEU 37 HD22 LEU 37 16.181 -0.443 1.040 139 HD23 LEU 37 HD23 LEU 37 16.495 -1.611 -0.264 140 H CYS 38 H CYS 38 10.689 1.482 -2.007 141 HA CYS 38 HA CYS 38 11.950 3.904 -3.109 142 HB2 CYS 38 HB2 CYS 38 9.064 3.041 -2.645 143 HB3 CYS 38 HB3 CYS 38 9.501 4.655 -3.232 144 HG CYS 38 HG CYS 38 10.304 1.717 -4.582 145 H LYS 39 H LYS 39 11.683 6.017 -2.340 146 HA LYS 39 HA LYS 39 10.843 6.492 0.470 147 HB2 LYS 39 HB2 LYS 39 12.974 7.581 1.013 148 HB3 LYS 39 HB3 LYS 39 13.113 5.864 0.766 149 HG2 LYS 39 HG2 LYS 39 13.713 7.623 -1.611 150 HG3 LYS 39 HG3 LYS 39 14.832 7.677 -0.246 151 HD2 LYS 39 HD2 LYS 39 15.154 5.229 -0.347 152 HD3 LYS 39 HD3 LYS 39 13.997 5.121 -1.668 153 HE2 LYS 39 HE2 LYS 39 16.173 4.991 -2.619 154 HE3 LYS 39 HE3 LYS 39 15.466 6.539 -3.088 155 HZ1 LYS 39 HZ1 LYS 39 17.433 6.162 -0.884 156 HZ2 LYS 39 HZ2 LYS 39 16.818 7.602 -1.359 157 HZ3 LYS 39 HZ3 LYS 39 17.787 6.756 -2.360 158 H ALA 40 H ALA 40 9.965 7.441 -2.302 159 HA ALA 40 HA ALA 40 10.050 10.393 -1.780 160 HB1 ALA 40 HB1 ALA 40 11.474 9.747 -3.694 161 HB2 ALA 40 HB2 ALA 40 10.080 8.963 -4.471 162 HB3 ALA 40 HB3 ALA 40 10.089 10.720 -4.214 163 H ARG 41 H ARG 41 8.284 11.591 -2.824 164 HA ARG 41 HA ARG 41 5.718 10.718 -1.931 165 HB2 ARG 41 HB2 ARG 41 6.793 13.078 -3.457 166 HB3 ARG 41 HB3 ARG 41 5.063 12.823 -3.528 167 HG2 ARG 41 HG2 ARG 41 6.595 13.030 -0.905 168 HG3 ARG 41 HG3 ARG 41 5.836 14.385 -1.736 169 HD2 ARG 41 HD2 ARG 41 3.948 13.960 -0.647 170 HD3 ARG 41 HD3 ARG 41 3.749 12.520 -1.628 171 HE ARG 41 HE ARG 41 4.964 12.677 1.112 172 HH11 ARG 41 HH11 ARG 41 3.448 10.563 -1.283 173 HH12 ARG 41 HH12 ARG 41 3.610 9.193 -0.204 174 HH21 ARG 41 HH21 ARG 41 4.991 10.882 2.396 175 HH22 ARG 41 HH22 ARG 41 4.401 9.372 1.740 176 H PHE 42 H PHE 42 7.189 10.058 -4.913 177 HA PHE 42 HA PHE 42 4.939 10.113 -6.642 178 HB2 PHE 42 HB2 PHE 42 7.382 8.374 -7.024 179 HB3 PHE 42 HB3 PHE 42 6.405 9.158 -8.257 180 HD1 PHE 42 HD2 PHE 42 6.296 12.000 -7.071 181 HD2 PHE 42 HD1 PHE 42 9.548 9.183 -7.471 182 HE1 PHE 42 HE2 PHE 42 7.920 13.867 -7.079 183 HE2 PHE 42 HE1 PHE 42 11.165 11.061 -7.471 184 HZ PHE 42 HZ PHE 42 10.356 13.404 -7.274 185 H THR 43 H THR 43 6.119 7.518 -4.582 186 HA THR 43 HA THR 43 4.622 5.375 -5.825 187 HB THR 43 HB THR 43 5.811 5.388 -3.022 188 HG1 THR 43 HG1 THR 43 7.637 4.478 -4.332 189 HG21 THR 43 HG21 THR 43 6.371 3.009 -3.663 190 HG22 THR 43 HG22 THR 43 5.406 3.216 -5.135 191 HG23 THR 43 HG23 THR 43 4.641 3.305 -3.526 192 H ARG 44 H ARG 44 3.032 4.024 -4.554 193 HA ARG 44 HA ARG 44 1.073 5.709 -3.045 194 HB2 ARG 44 HB2 ARG 44 -0.739 4.588 -4.203 195 HB3 ARG 44 HB3 ARG 44 0.280 5.456 -5.333 196 HG2 ARG 44 HG2 ARG 44 0.871 2.522 -4.885 197 HG3 ARG 44 HG3 ARG 44 -0.606 2.942 -5.726 198 HD2 ARG 44 HD2 ARG 44 2.075 4.007 -6.642 199 HD3 ARG 44 HD3 ARG 44 1.401 2.457 -7.178 200 HE ARG 44 HE ARG 44 -0.601 4.441 -7.525 201 HH11 ARG 44 HH11 ARG 44 2.451 3.610 -9.017 202 HH12 ARG 44 HH12 ARG 44 1.976 4.268 -10.558 203 HH21 ARG 44 HH21 ARG 44 -1.140 5.274 -9.490 204 HH22 ARG 44 HH22 ARG 44 -0.016 5.184 -10.811 205 H TYR 45 H TYR 45 -0.634 4.363 -1.971 206 HA TYR 45 HA TYR 45 0.597 2.083 -0.493 207 HB2 TYR 45 HB2 TYR 45 -0.883 4.324 0.873 208 HB3 TYR 45 HB3 TYR 45 0.144 3.106 1.604 209 HD1 TYR 45 HD2 TYR 45 2.716 3.383 0.153 210 HD2 TYR 45 HD1 TYR 45 -0.074 6.396 1.377 211 HE1 TYR 45 HE2 TYR 45 4.567 5.025 0.253 212 HE2 TYR 45 HE1 TYR 45 1.777 8.079 1.437 213 HH TYR 45 HH TYR 45 5.160 7.152 0.736 214 H TYR 46 H TYR 46 -0.868 0.538 0.229 215 HA TYR 46 HA TYR 46 -3.796 0.988 -0.203 216 HB2 TYR 46 HB2 TYR 46 -2.223 -1.312 -1.414 217 HB3 TYR 46 HB3 TYR 46 -3.970 -1.156 -1.423 218 HD1 TYR 46 HD1 TYR 46 -4.942 1.083 -2.485 219 HD2 TYR 46 HD2 TYR 46 -1.060 -0.595 -3.308 220 HE1 TYR 46 HE1 TYR 46 -4.884 2.250 -4.703 221 HE2 TYR 46 HE2 TYR 46 -1.020 0.581 -5.505 222 HH TYR 46 HH TYR 46 -3.638 2.792 -6.525 223 H CYS 47 H CYS 47 -5.116 -0.025 1.224 224 HA CYS 47 HA CYS 47 -3.907 -1.377 3.496 225 HB2 CYS 47 HB2 CYS 47 -5.793 0.239 3.728 226 HB3 CYS 47 HB3 CYS 47 -6.844 -0.936 2.921 227 H MET 48 H MET 48 -3.475 -3.456 3.630 228 HA MET 48 HA MET 48 -4.670 -5.392 1.705 229 HB2 MET 48 HB2 MET 48 -2.214 -5.429 3.486 230 HB3 MET 48 HB3 MET 48 -2.805 -6.873 2.663 231 HG2 MET 48 HG2 MET 48 -2.017 -4.312 1.247 232 HG3 MET 48 HG3 MET 48 -1.034 -5.764 1.422 233 HE1 MET 48 HE1 MET 48 -0.885 -7.599 -0.177 234 HE2 MET 48 HE2 MET 48 -1.666 -7.514 -1.762 235 HE3 MET 48 HE3 MET 48 -0.610 -6.186 -1.224 236 H GLY 49 H GLY 49 -5.492 -4.460 4.764 237 HA2 GLY 49 HA2 GLY 49 -7.487 -6.380 5.111 238 HA3 GLY 49 HA3 GLY 49 -6.119 -7.004 6.040 239 H ASN 50 H ASN 50 -5.018 -4.998 7.269 240 HA ASN 50 HA ASN 50 -7.095 -3.267 8.538 241 HB2 ASN 50 HB2 ASN 50 -6.167 -3.726 10.768 242 HB3 ASN 50 HB3 ASN 50 -6.854 -5.158 10.013 243 HD21 ASN 50 HD21 ASN 50 -5.574 -6.997 10.106 244 HD22 ASN 50 HD22 ASN 50 -3.847 -6.944 10.415 245 H CYS 51 H CYS 51 -3.829 -3.465 7.345 246 HA CYS 51 HA CYS 51 -3.496 -0.571 7.868 247 HB2 CYS 51 HB2 CYS 51 -1.452 -0.786 8.872 248 HB3 CYS 51 HB3 CYS 51 -2.235 -2.222 9.500 249 H CYS 52 H CYS 52 -1.674 0.332 6.454 250 HA CYS 52 HA CYS 52 -1.719 -0.974 3.783 251 HB2 CYS 52 HB2 CYS 52 -1.811 1.292 2.809 252 HB3 CYS 52 HB3 CYS 52 -3.266 0.783 3.651 253 H LYS 53 H LYS 53 0.139 -1.733 3.279 254 HA LYS 53 HA LYS 53 2.694 -0.369 3.855 255 HB2 LYS 53 HB2 LYS 53 2.089 -3.034 3.419 256 HB3 LYS 53 HB3 LYS 53 2.597 -2.534 1.808 257 HG2 LYS 53 HG2 LYS 53 4.649 -1.448 3.160 258 HG3 LYS 53 HG3 LYS 53 4.185 -2.632 4.367 259 HD2 LYS 53 HD2 LYS 53 4.924 -3.221 1.460 260 HD3 LYS 53 HD3 LYS 53 5.985 -3.411 2.869 261 HE2 LYS 53 HE2 LYS 53 4.203 -5.026 3.801 262 HE3 LYS 53 HE3 LYS 53 3.466 -4.970 2.192 263 HZ1 LYS 53 HZ1 LYS 53 5.807 -5.643 1.384 264 HZ2 LYS 53 HZ2 LYS 53 4.951 -6.802 2.165 265 HZ3 LYS 53 HZ3 LYS 53 6.140 -6.017 2.943 266 H VAL 54 H VAL 54 4.191 -0.244 1.919 267 HA VAL 54 HA VAL 54 3.079 1.475 -0.197 268 HB VAL 54 HB VAL 54 5.041 2.225 1.082 269 HG11 VAL 54 HG11 VAL 54 7.253 1.246 0.806 270 HG12 VAL 54 HG12 VAL 54 6.169 0.060 1.538 271 HG13 VAL 54 HG13 VAL 54 6.600 -0.069 -0.182 272 HG21 VAL 54 HG21 VAL 54 5.772 1.664 -1.804 273 HG22 VAL 54 HG22 VAL 54 4.713 2.981 -1.235 274 HG23 VAL 54 HG23 VAL 54 6.419 2.947 -0.761 275 H TYR 55 H TYR 55 3.004 1.063 -2.307 276 HA TYR 55 HA TYR 55 4.042 -1.510 -3.367 277 HB2 TYR 55 HB2 TYR 55 1.152 -0.591 -3.563 278 HB3 TYR 55 HB3 TYR 55 1.836 -1.948 -4.445 279 HD1 TYR 55 HD2 TYR 55 2.736 -3.948 -3.200 280 HD2 TYR 55 HD1 TYR 55 0.464 -0.856 -1.235 281 HE1 TYR 55 HE2 TYR 55 2.448 -5.417 -1.193 282 HE2 TYR 55 HE1 TYR 55 0.152 -2.352 0.742 283 HH TYR 55 HH TYR 55 1.524 -5.649 0.855 284 H GLU 56 H GLU 56 4.552 -1.500 -5.505 285 HA GLU 56 HA GLU 56 5.199 1.189 -6.492 286 HB2 GLU 56 HB2 GLU 56 6.169 -1.559 -7.344 287 HB3 GLU 56 HB3 GLU 56 6.835 -0.012 -7.885 288 HG2 GLU 56 HG2 GLU 56 7.396 0.561 -5.518 289 HG3 GLU 56 HG3 GLU 56 6.847 -1.039 -5.012 290 H GLY 57 H GLY 57 2.685 -0.846 -7.243 291 HA2 GLY 57 HA2 GLY 57 2.222 0.457 -9.892 292 HA3 GLY 57 HA3 GLY 57 2.018 -1.292 -9.731 293 H CYS 58 H CYS 58 -0.128 0.037 -10.585 294 HA CYS 58 HA CYS 58 -1.843 1.156 -8.577 295 HB2 CYS 58 HB2 CYS 58 -1.981 1.527 -11.076 296 HB3 CYS 58 HB3 CYS 58 -2.629 -0.115 -11.237 297 HG CYS 58 HG CYS 58 -3.800 2.489 -9.527 298 H TYR 59 H TYR 59 -3.490 0.332 -7.415 299 HA TYR 59 HA TYR 59 -4.283 -2.536 -7.650 300 HB2 TYR 59 HB2 TYR 59 -2.703 -1.910 -5.690 301 HB3 TYR 59 HB3 TYR 59 -4.119 -1.178 -4.963 302 HD1 TYR 59 HD2 TYR 59 -6.201 -3.366 -5.869 303 HD2 TYR 59 HD1 TYR 59 -2.250 -3.545 -4.110 304 HE1 TYR 59 HE2 TYR 59 -6.728 -5.566 -4.904 305 HE2 TYR 59 HE1 TYR 59 -2.796 -5.750 -3.134 306 HH TYR 59 HH TYR 59 -5.995 -7.316 -3.627 307 H THR 60 H THR 60 -5.912 -1.758 -8.982 308 HA THR 60 HA THR 60 -8.003 -1.064 -9.568 309 HB THR 60 HB THR 60 -8.922 -1.581 -6.740 310 HG1 THR 60 HG1 THR 60 -8.187 -3.542 -8.661 311 HG21 THR 60 HG21 THR 60 -10.745 -2.785 -7.924 312 HG22 THR 60 HG22 THR 60 -10.004 -2.379 -9.490 313 HG23 THR 60 HG23 THR 60 -10.666 -1.102 -8.455 314 H GLY 61 H GLY 61 -6.305 1.081 -8.660 315 HA2 GLY 61 HA2 GLY 61 -6.432 3.388 -8.562 316 HA3 GLY 61 HA3 GLY 61 -8.169 3.246 -8.786 317 H GLY 62 H GLY 62 -7.010 1.642 -5.976 318 HA2 GLY 62 HA2 GLY 62 -8.689 2.649 -4.134 319 HA3 GLY 62 HA3 GLY 62 -7.108 2.049 -3.699 320 H TYR 63 H TYR 63 -5.345 3.641 -3.484 321 HA TYR 63 HA TYR 63 -6.224 6.387 -2.714 322 HB2 TYR 63 HB2 TYR 63 -4.532 4.629 -0.925 323 HB3 TYR 63 HB3 TYR 63 -5.309 6.144 -0.528 324 HD1 TYR 63 HD2 TYR 63 -7.967 6.148 -0.616 325 HD2 TYR 63 HD1 TYR 63 -5.541 2.592 -0.378 326 HE1 TYR 63 HE2 TYR 63 -9.943 4.850 0.184 327 HE2 TYR 63 HE1 TYR 63 -7.526 1.292 0.404 328 HH TYR 63 HH TYR 63 -9.769 1.331 0.812 329 H SER 64 H SER 64 -4.406 7.807 -2.132 330 HA SER 64 HA SER 64 -1.789 7.151 -3.456 331 HB2 SER 64 HB2 SER 64 -3.379 9.725 -3.740 332 HB3 SER 64 HB3 SER 64 -1.734 9.452 -4.344 333 HG SER 64 HG SER 64 -3.324 9.110 -5.969 334 H ARG 65 H ARG 65 -3.407 8.651 -0.755 335 HA ARG 65 HA ARG 65 -0.753 9.495 0.395 336 HB2 ARG 65 HB2 ARG 65 -3.578 10.528 0.848 337 HB3 ARG 65 HB3 ARG 65 -2.255 10.932 1.926 338 HG2 ARG 65 HG2 ARG 65 -2.192 11.547 -1.063 339 HG3 ARG 65 HG3 ARG 65 -2.838 12.648 0.161 340 HD2 ARG 65 HD2 ARG 65 -0.662 12.590 1.360 341 HD3 ARG 65 HD3 ARG 65 0.021 11.603 0.055 342 HE ARG 65 HE ARG 65 -0.920 13.711 -1.358 343 HH11 ARG 65 HH11 ARG 65 1.058 13.757 1.524 344 HH12 ARG 65 HH12 ARG 65 1.762 15.300 1.127 345 HH21 ARG 65 HH21 ARG 65 0.012 15.659 -1.817 346 HH22 ARG 65 HH22 ARG 65 1.190 16.334 -0.732 347 H MET 66 H MET 66 -0.348 9.110 2.564 348 HA MET 66 HA MET 66 -1.054 6.484 3.482 349 HB2 MET 66 HB2 MET 66 1.101 7.624 3.931 350 HB3 MET 66 HB3 MET 66 0.274 8.788 4.956 351 HG2 MET 66 HG2 MET 66 1.372 7.088 6.302 352 HG3 MET 66 HG3 MET 66 -0.371 7.005 6.512 353 HE1 MET 66 HE1 MET 66 2.218 3.855 4.276 354 HE2 MET 66 HE2 MET 66 1.999 5.489 3.622 355 HE3 MET 66 HE3 MET 66 2.864 5.257 5.158 356 H GLY 67 H GLY 67 -2.192 9.717 4.443 357 HA2 GLY 67 HA2 GLY 67 -3.839 8.949 6.640 358 HA3 GLY 67 HA3 GLY 67 -4.044 10.399 5.657 359 H GLU 68 H GLU 68 -4.498 8.789 3.170 360 HA GLU 68 HA GLU 68 -7.380 8.360 3.359 361 HB2 GLU 68 HB2 GLU 68 -5.388 7.673 1.174 362 HB3 GLU 68 HB3 GLU 68 -7.138 7.523 1.033 363 HG2 GLU 68 HG2 GLU 68 -7.421 9.927 1.295 364 HG3 GLU 68 HG3 GLU 68 -5.684 10.148 1.514 365 H CYS 69 H CYS 69 -4.624 6.133 2.671 366 HA CYS 69 HA CYS 69 -6.281 3.781 2.725 367 HB2 CYS 69 HB2 CYS 69 -4.286 2.555 2.438 368 HB3 CYS 69 HB3 CYS 69 -4.176 4.016 1.479 369 H ALA 70 H ALA 70 -4.569 5.487 5.273 370 HA ALA 70 HA ALA 70 -4.995 3.527 7.354 371 HB1 ALA 70 HB1 ALA 70 -4.457 5.447 8.839 372 HB2 ALA 70 HB2 ALA 70 -3.288 5.290 7.512 373 HB3 ALA 70 HB3 ALA 70 -4.538 6.549 7.444 374 H ARG 71 H ARG 71 -6.770 6.640 6.673 375 HA ARG 71 HA ARG 71 -8.689 6.161 8.715 376 HB2 ARG 71 HB2 ARG 71 -9.830 8.077 8.021 377 HB3 ARG 71 HB3 ARG 71 -8.136 8.385 7.676 378 HG2 ARG 71 HG2 ARG 71 -8.633 7.754 5.242 379 HG3 ARG 71 HG3 ARG 71 -10.334 7.628 5.681 380 HD2 ARG 71 HD2 ARG 71 -9.975 9.764 4.673 381 HD3 ARG 71 HD3 ARG 71 -10.319 10.010 6.395 382 HE ARG 71 HE ARG 71 -7.504 9.820 6.071 383 HH11 ARG 71 HH11 ARG 71 -9.976 12.064 5.030 384 HH12 ARG 71 HH12 ARG 71 -8.894 13.430 5.056 385 HH21 ARG 71 HH21 ARG 71 -6.208 11.630 6.237 386 HH22 ARG 71 HH22 ARG 71 -6.800 13.170 5.692 387 H ASN 72 H ASN 72 -8.793 5.084 5.383 388 HA ASN 72 HA ASN 72 -11.583 4.256 5.503 389 HB2 ASN 72 HB2 ASN 72 -9.863 4.729 3.441 390 HB3 ASN 72 HB3 ASN 72 -9.724 2.981 3.531 391 HD21 ASN 72 HD21 ASN 72 -11.816 5.699 2.760 392 HD22 ASN 72 HD22 ASN 72 -13.139 4.715 2.144 393 H CYS 73 H CYS 73 -8.771 2.908 6.879 394 HA CYS 73 HA CYS 73 -9.977 0.190 7.139 395 HB2 CYS 73 HB2 CYS 73 -7.310 1.145 6.373 396 HB3 CYS 73 HB3 CYS 73 -7.240 0.013 7.701 397 HA PRO 74 HA PRO 74 -10.233 0.621 11.454 398 HB2 PRO 74 HB2 PRO 74 -9.527 -1.794 12.526 399 HB3 PRO 74 HB3 PRO 74 -10.980 -1.556 11.508 400 HG2 PRO 74 HG2 PRO 74 -8.250 -2.550 10.642 401 HG3 PRO 74 HG3 PRO 74 -9.847 -3.298 10.310 402 HD2 PRO 74 HD2 PRO 74 -8.637 -1.698 8.493 403 HD3 PRO 74 HD3 PRO 74 -10.403 -1.616 8.737 404 H GLY 75 H GLY 75 -7.054 -0.105 10.264 405 HA2 GLY 75 HA2 GLY 75 -4.999 0.821 10.904 406 HA3 GLY 75 HA3 GLY 75 -5.726 1.474 12.370 Start of MODEL 4 1 H1 GLY 19 H1 GLY 19 -5.244 -10.275 21.042 2 H2 GLY 19 H2 GLY 19 -4.865 -11.156 22.371 3 H3 GLY 19 H3 GLY 19 -4.653 -9.531 22.373 4 HA2 GLY 19 HA2 GLY 19 -2.530 -10.635 22.131 5 HA3 GLY 19 HA3 GLY 19 -3.172 -11.449 20.693 6 H ASP 20 H ASP 20 -0.860 -9.953 20.557 7 HA ASP 20 HA ASP 20 -1.624 -7.578 18.899 8 HB2 ASP 20 HB2 ASP 20 0.689 -7.847 20.862 9 HB3 ASP 20 HB3 ASP 20 0.525 -6.547 19.689 10 H LYS 21 H LYS 21 -0.053 -6.993 17.289 11 HA LYS 21 HA LYS 21 1.315 -9.344 16.030 12 HB2 LYS 21 HB2 LYS 21 -0.139 -6.942 14.863 13 HB3 LYS 21 HB3 LYS 21 0.738 -8.137 13.907 14 HG2 LYS 21 HG2 LYS 21 -0.772 -9.894 14.462 15 HG3 LYS 21 HG3 LYS 21 -1.547 -8.949 15.749 16 HD2 LYS 21 HD2 LYS 21 -2.373 -7.318 14.144 17 HD3 LYS 21 HD3 LYS 21 -1.633 -8.195 12.797 18 HE2 LYS 21 HE2 LYS 21 -3.765 -9.333 14.671 19 HE3 LYS 21 HE3 LYS 21 -4.114 -8.581 13.113 20 HZ1 LYS 21 HZ1 LYS 21 -2.469 -11.030 13.477 21 HZ2 LYS 21 HZ2 LYS 21 -2.772 -10.309 12.039 22 HZ3 LYS 21 HZ3 LYS 21 -3.989 -10.981 12.891 23 H GLU 22 H GLU 22 3.426 -9.222 15.836 24 HA GLU 22 HA GLU 22 4.994 -6.822 16.335 25 HB2 GLU 22 HB2 GLU 22 5.766 -9.545 15.212 26 HB3 GLU 22 HB3 GLU 22 6.908 -8.258 15.640 27 HG2 GLU 22 HG2 GLU 22 6.088 -8.298 17.980 28 HG3 GLU 22 HG3 GLU 22 4.981 -9.611 17.574 29 H GLU 23 H GLU 23 3.620 -8.175 13.439 30 HA GLU 23 HA GLU 23 4.502 -5.898 11.827 31 HB2 GLU 23 HB2 GLU 23 5.415 -7.237 10.007 32 HB3 GLU 23 HB3 GLU 23 6.342 -7.505 11.477 33 HG2 GLU 23 HG2 GLU 23 5.086 -9.656 11.843 34 HG3 GLU 23 HG3 GLU 23 4.236 -9.388 10.320 35 H CYS 24 H CYS 24 3.399 -5.979 9.610 36 HA CYS 24 HA CYS 24 0.857 -7.548 9.644 37 HB2 CYS 24 HB2 CYS 24 0.503 -5.144 10.271 38 HB3 CYS 24 HB3 CYS 24 1.039 -4.700 8.648 39 H THR 25 H THR 25 2.092 -9.077 8.483 40 HA THR 25 HA THR 25 2.930 -8.595 5.725 41 HB THR 25 HB THR 25 3.903 -10.370 7.144 42 HG1 THR 25 HG1 THR 25 3.955 -11.856 5.496 43 HG21 THR 25 HG21 THR 25 1.280 -11.871 6.723 44 HG22 THR 25 HG22 THR 25 1.846 -11.219 8.278 45 HG23 THR 25 HG23 THR 25 2.761 -12.498 7.469 46 H VAL 26 H VAL 26 1.913 -9.777 3.924 47 HA VAL 26 HA VAL 26 -0.964 -9.127 3.794 48 HB VAL 26 HB VAL 26 0.800 -10.233 1.607 49 HG11 VAL 26 HG11 VAL 26 -1.836 -8.762 1.396 50 HG12 VAL 26 HG12 VAL 26 -0.811 -9.300 0.052 51 HG13 VAL 26 HG13 VAL 26 -1.572 -10.498 1.094 52 HG21 VAL 26 HG21 VAL 26 1.732 -8.080 2.315 53 HG22 VAL 26 HG22 VAL 26 0.850 -7.817 0.813 54 HG23 VAL 26 HG23 VAL 26 0.117 -7.350 2.365 55 HA PRO 27 HA PRO 27 -2.046 -13.436 4.580 56 HB2 PRO 27 HB2 PRO 27 -4.737 -13.353 4.191 57 HB3 PRO 27 HB3 PRO 27 -3.948 -12.471 5.534 58 HG2 PRO 27 HG2 PRO 27 -4.733 -11.391 2.808 59 HG3 PRO 27 HG3 PRO 27 -5.143 -10.708 4.419 60 HD2 PRO 27 HD2 PRO 27 -2.988 -9.824 2.954 61 HD3 PRO 27 HD3 PRO 27 -2.935 -9.913 4.739 62 H ILE 28 H ILE 28 -3.345 -15.218 3.494 63 HA ILE 28 HA ILE 28 -2.265 -15.826 0.931 64 HB ILE 28 HB ILE 28 -4.628 -17.123 2.347 65 HG12 ILE 28 HG12 ILE 28 -1.666 -17.881 2.479 66 HG13 ILE 28 HG13 ILE 28 -2.540 -17.044 3.759 67 HG21 ILE 28 HG21 ILE 28 -2.762 -18.229 0.191 68 HG22 ILE 28 HG22 ILE 28 -4.048 -19.139 1.011 69 HG23 ILE 28 HG23 ILE 28 -4.478 -17.805 -0.030 70 HD11 ILE 28 HD11 ILE 28 -4.099 -18.998 3.956 71 HD12 ILE 28 HD12 ILE 28 -3.027 -19.892 2.848 72 HD13 ILE 28 HD13 ILE 28 -2.411 -19.319 4.401 73 H GLY 29 H GLY 29 -3.012 -15.717 -1.077 74 HA2 GLY 29 HA2 GLY 29 -4.960 -15.719 -2.641 75 HA3 GLY 29 HA3 GLY 29 -5.647 -14.399 -1.695 76 H TRP 30 H TRP 30 -3.721 -12.632 -1.313 77 HA TRP 30 HA TRP 30 -3.076 -11.540 -3.944 78 HB2 TRP 30 HB2 TRP 30 -2.551 -10.505 -1.167 79 HB3 TRP 30 HB3 TRP 30 -2.238 -9.609 -2.645 80 HD1 TRP 30 HD1 TRP 30 -4.654 -9.658 -4.329 81 HE1 TRP 30 HE1 TRP 30 -6.964 -8.765 -3.580 82 HE3 TRP 30 HE3 TRP 30 -4.013 -10.066 0.637 83 HZ2 TRP 30 HZ2 TRP 30 -8.334 -8.265 -1.075 84 HZ3 TRP 30 HZ3 TRP 30 -5.839 -9.338 2.270 85 HH2 TRP 30 HH2 TRP 30 -7.980 -8.457 1.393 86 H SER 31 H SER 31 -0.854 -10.351 -3.952 87 HA SER 31 HA SER 31 1.418 -12.185 -3.359 88 HB2 SER 31 HB2 SER 31 2.234 -11.824 -5.714 89 HB3 SER 31 HB3 SER 31 0.858 -12.911 -5.505 90 HG SER 31 HG SER 31 0.576 -11.458 -7.267 91 H GLU 32 H GLU 32 2.261 -10.855 -1.860 92 HA GLU 32 HA GLU 32 2.511 -8.018 -2.113 93 HB2 GLU 32 HB2 GLU 32 3.694 -8.107 -0.052 94 HB3 GLU 32 HB3 GLU 32 2.419 -9.319 0.001 95 HG2 GLU 32 HG2 GLU 32 4.101 -11.087 -0.511 96 HG3 GLU 32 HG3 GLU 32 5.376 -9.861 -0.459 97 HA PRO 33 HA PRO 33 6.275 -7.550 -4.432 98 HB2 PRO 33 HB2 PRO 33 7.323 -5.197 -3.511 99 HB3 PRO 33 HB3 PRO 33 5.807 -5.281 -4.458 100 HG2 PRO 33 HG2 PRO 33 6.102 -5.149 -1.437 101 HG3 PRO 33 HG3 PRO 33 5.063 -4.136 -2.490 102 HD2 PRO 33 HD2 PRO 33 4.079 -6.310 -1.213 103 HD3 PRO 33 HD3 PRO 33 3.560 -5.923 -2.880 104 H VAL 34 H VAL 34 8.447 -7.915 -4.378 105 HA VAL 34 HA VAL 34 9.681 -8.807 -1.803 106 HB VAL 34 HB VAL 34 10.459 -9.419 -4.675 107 HG11 VAL 34 HG11 VAL 34 12.433 -9.651 -3.247 108 HG12 VAL 34 HG12 VAL 34 11.496 -10.583 -2.054 109 HG13 VAL 34 HG13 VAL 34 11.827 -11.248 -3.669 110 HG21 VAL 34 HG21 VAL 34 9.584 -11.689 -4.168 111 HG22 VAL 34 HG22 VAL 34 9.022 -11.112 -2.582 112 HG23 VAL 34 HG23 VAL 34 8.311 -10.474 -4.080 113 H LYS 35 H LYS 35 9.939 -6.284 -4.140 114 HA LYS 35 HA LYS 35 12.491 -5.252 -2.961 115 HB2 LYS 35 HB2 LYS 35 11.316 -4.732 -5.734 116 HB3 LYS 35 HB3 LYS 35 12.794 -4.044 -5.082 117 HG2 LYS 35 HG2 LYS 35 13.767 -5.707 -6.232 118 HG3 LYS 35 HG3 LYS 35 13.504 -6.579 -4.739 119 HD2 LYS 35 HD2 LYS 35 12.885 -8.040 -6.530 120 HD3 LYS 35 HD3 LYS 35 11.390 -7.544 -5.762 121 HE2 LYS 35 HE2 LYS 35 10.989 -7.496 -8.094 122 HE3 LYS 35 HE3 LYS 35 11.073 -5.814 -7.575 123 HZ1 LYS 35 HZ1 LYS 35 13.285 -7.319 -8.884 124 HZ2 LYS 35 HZ2 LYS 35 13.366 -5.747 -8.436 125 HZ3 LYS 35 HZ3 LYS 35 12.342 -6.210 -9.617 126 H GLY 36 H GLY 36 12.625 -2.807 -3.223 127 HA2 GLY 36 HA2 GLY 36 10.320 -1.106 -3.155 128 HA3 GLY 36 HA3 GLY 36 10.737 -1.561 -1.502 129 H LEU 37 H LEU 37 11.861 0.102 -4.399 130 HA LEU 37 HA LEU 37 13.846 1.652 -2.789 131 HB2 LEU 37 HB2 LEU 37 14.757 -0.342 -4.175 132 HB3 LEU 37 HB3 LEU 37 14.524 0.694 -5.574 133 HG LEU 37 HG LEU 37 16.219 1.331 -3.104 134 HD11 LEU 37 HD11 LEU 37 17.057 0.492 -5.910 135 HD12 LEU 37 HD12 LEU 37 17.129 -0.521 -4.451 136 HD13 LEU 37 HD13 LEU 37 18.150 0.919 -4.571 137 HD21 LEU 37 HD21 LEU 37 16.022 2.820 -5.756 138 HD22 LEU 37 HD22 LEU 37 17.237 3.123 -4.490 139 HD23 LEU 37 HD23 LEU 37 15.535 3.434 -4.157 140 H CYS 38 H CYS 38 11.973 3.022 -2.762 141 HA CYS 38 HA CYS 38 11.186 4.552 -5.124 142 HB2 CYS 38 HB2 CYS 38 10.635 5.012 -2.161 143 HB3 CYS 38 HB3 CYS 38 9.854 5.855 -3.507 144 HG CYS 38 HG CYS 38 8.912 3.662 -4.673 145 H LYS 39 H LYS 39 12.944 5.584 -6.000 146 HA LYS 39 HA LYS 39 14.931 7.115 -4.610 147 HB2 LYS 39 HB2 LYS 39 13.929 7.135 -7.482 148 HB3 LYS 39 HB3 LYS 39 15.195 8.231 -6.947 149 HG2 LYS 39 HG2 LYS 39 15.399 5.202 -6.655 150 HG3 LYS 39 HG3 LYS 39 15.984 6.109 -8.055 151 HD2 LYS 39 HD2 LYS 39 17.457 7.464 -6.554 152 HD3 LYS 39 HD3 LYS 39 16.958 6.451 -5.183 153 HE2 LYS 39 HE2 LYS 39 17.829 4.446 -6.341 154 HE3 LYS 39 HE3 LYS 39 18.302 5.438 -7.725 155 HZ1 LYS 39 HZ1 LYS 39 19.833 6.642 -6.266 156 HZ2 LYS 39 HZ2 LYS 39 20.179 5.050 -6.229 157 HZ3 LYS 39 HZ3 LYS 39 19.394 5.742 -4.975 158 H ALA 40 H ALA 40 12.154 8.418 -6.445 159 HA ALA 40 HA ALA 40 12.428 11.067 -5.224 160 HB1 ALA 40 HB1 ALA 40 10.449 11.618 -6.559 161 HB2 ALA 40 HB2 ALA 40 11.619 10.740 -7.553 162 HB3 ALA 40 HB3 ALA 40 10.181 9.898 -6.928 163 H ARG 41 H ARG 41 10.516 12.096 -4.194 164 HA ARG 41 HA ARG 41 9.629 10.637 -1.811 165 HB2 ARG 41 HB2 ARG 41 9.033 13.458 -2.810 166 HB3 ARG 41 HB3 ARG 41 8.619 12.850 -1.210 167 HG2 ARG 41 HG2 ARG 41 11.464 13.141 -2.281 168 HG3 ARG 41 HG3 ARG 41 10.644 14.255 -1.188 169 HD2 ARG 41 HD2 ARG 41 10.422 12.466 0.504 170 HD3 ARG 41 HD3 ARG 41 11.268 11.336 -0.575 171 HE ARG 41 HE ARG 41 12.964 13.558 -0.290 172 HH11 ARG 41 HH11 ARG 41 11.701 11.100 1.851 173 HH12 ARG 41 HH12 ARG 41 13.090 11.164 2.902 174 HH21 ARG 41 HH21 ARG 41 14.713 13.592 1.077 175 HH22 ARG 41 HH22 ARG 41 14.749 12.543 2.463 176 H PHE 42 H PHE 42 8.410 10.342 -4.754 177 HA PHE 42 HA PHE 42 5.540 10.636 -4.151 178 HB2 PHE 42 HB2 PHE 42 6.765 9.781 -6.775 179 HB3 PHE 42 HB3 PHE 42 5.188 10.502 -6.479 180 HD1 PHE 42 HD2 PHE 42 5.801 12.898 -4.838 181 HD2 PHE 42 HD1 PHE 42 8.001 11.192 -8.142 182 HE1 PHE 42 HE2 PHE 42 6.871 15.092 -5.266 183 HE2 PHE 42 HE1 PHE 42 9.071 13.388 -8.557 184 HZ PHE 42 HZ PHE 42 8.535 15.326 -7.107 185 H THR 43 H THR 43 5.198 9.004 -2.716 186 HA THR 43 HA THR 43 5.239 6.187 -3.767 187 HB THR 43 HB THR 43 5.253 6.740 -0.800 188 HG1 THR 43 HG1 THR 43 7.566 6.620 -2.452 189 HG21 THR 43 HG21 THR 43 6.565 4.625 -0.807 190 HG22 THR 43 HG22 THR 43 6.404 4.536 -2.574 191 HG23 THR 43 HG23 THR 43 4.966 4.430 -1.537 192 H ARG 44 H ARG 44 3.520 4.768 -3.010 193 HA ARG 44 HA ARG 44 1.034 6.144 -2.095 194 HB2 ARG 44 HB2 ARG 44 1.305 6.000 -4.607 195 HB3 ARG 44 HB3 ARG 44 1.208 4.246 -4.477 196 HG2 ARG 44 HG2 ARG 44 -1.065 4.332 -3.769 197 HG3 ARG 44 HG3 ARG 44 -1.015 6.051 -3.412 198 HD2 ARG 44 HD2 ARG 44 -0.675 4.882 -6.201 199 HD3 ARG 44 HD3 ARG 44 -2.197 5.462 -5.545 200 HE ARG 44 HE ARG 44 -1.354 7.725 -5.521 201 HH11 ARG 44 HH11 ARG 44 0.694 5.568 -7.355 202 HH12 ARG 44 HH12 ARG 44 1.398 6.876 -8.268 203 HH21 ARG 44 HH21 ARG 44 -0.419 9.342 -6.713 204 HH22 ARG 44 HH22 ARG 44 0.775 8.939 -7.904 205 H TYR 45 H TYR 45 -0.628 4.727 -1.298 206 HA TYR 45 HA TYR 45 0.480 2.311 0.074 207 HB2 TYR 45 HB2 TYR 45 -1.084 4.526 1.431 208 HB3 TYR 45 HB3 TYR 45 -0.255 3.174 2.186 209 HD1 TYR 45 HD2 TYR 45 2.425 3.125 1.585 210 HD2 TYR 45 HD1 TYR 45 -0.088 6.627 1.640 211 HE1 TYR 45 HE2 TYR 45 4.424 4.546 1.984 212 HE2 TYR 45 HE1 TYR 45 1.923 8.051 2.003 213 HH TYR 45 HH TYR 45 5.205 6.669 2.341 214 H TYR 46 H TYR 46 -0.958 0.660 0.359 215 HA TYR 46 HA TYR 46 -3.829 1.091 -0.403 216 HB2 TYR 46 HB2 TYR 46 -2.026 -1.116 -1.452 217 HB3 TYR 46 HB3 TYR 46 -3.729 -0.904 -1.803 218 HD1 TYR 46 HD1 TYR 46 -4.031 1.929 -2.510 219 HD2 TYR 46 HD2 TYR 46 -0.818 -0.814 -3.411 220 HE1 TYR 46 HE1 TYR 46 -3.456 3.251 -4.531 221 HE2 TYR 46 HE2 TYR 46 -0.319 0.470 -5.488 222 HH TYR 46 HH TYR 46 -2.433 3.096 -6.583 223 H CYS 47 H CYS 47 -5.297 -0.035 0.753 224 HA CYS 47 HA CYS 47 -4.413 -1.682 2.996 225 HB2 CYS 47 HB2 CYS 47 -6.379 -0.183 3.158 226 HB3 CYS 47 HB3 CYS 47 -7.206 -1.171 1.945 227 H MET 48 H MET 48 -4.216 -3.795 3.087 228 HA MET 48 HA MET 48 -5.201 -5.543 0.849 229 HB2 MET 48 HB2 MET 48 -3.177 -5.995 3.063 230 HB3 MET 48 HB3 MET 48 -3.837 -7.311 2.083 231 HG2 MET 48 HG2 MET 48 -2.443 -4.883 0.893 232 HG3 MET 48 HG3 MET 48 -1.639 -6.386 1.320 233 HE1 MET 48 HE1 MET 48 -1.404 -7.082 -2.382 234 HE2 MET 48 HE2 MET 48 -1.102 -5.526 -1.577 235 HE3 MET 48 HE3 MET 48 -0.619 -7.050 -0.796 236 H GLY 49 H GLY 49 -4.883 -6.618 4.182 237 HA2 GLY 49 HA2 GLY 49 -7.733 -7.459 4.206 238 HA3 GLY 49 HA3 GLY 49 -6.440 -7.999 5.279 239 H ASN 50 H ASN 50 -5.507 -5.531 6.147 240 HA ASN 50 HA ASN 50 -7.704 -4.260 7.689 241 HB2 ASN 50 HB2 ASN 50 -7.145 -6.271 8.972 242 HB3 ASN 50 HB3 ASN 50 -5.429 -5.894 8.924 243 HD21 ASN 50 HD21 ASN 50 -4.581 -4.425 10.503 244 HD22 ASN 50 HD22 ASN 50 -5.645 -3.737 11.720 245 H CYS 51 H CYS 51 -4.149 -4.508 7.521 246 HA CYS 51 HA CYS 51 -3.786 -1.604 7.964 247 HB2 CYS 51 HB2 CYS 51 -1.414 -2.166 8.010 248 HB3 CYS 51 HB3 CYS 51 -2.310 -3.247 9.063 249 H CYS 52 H CYS 52 -2.258 -0.432 6.481 250 HA CYS 52 HA CYS 52 -2.337 -1.374 3.674 251 HB2 CYS 52 HB2 CYS 52 -2.335 1.004 2.951 252 HB3 CYS 52 HB3 CYS 52 -3.845 0.368 3.580 253 H LYS 53 H LYS 53 -0.478 -2.127 3.214 254 HA LYS 53 HA LYS 53 2.055 -1.034 4.222 255 HB2 LYS 53 HB2 LYS 53 1.312 -3.553 3.317 256 HB3 LYS 53 HB3 LYS 53 2.122 -2.888 1.897 257 HG2 LYS 53 HG2 LYS 53 4.024 -2.226 3.569 258 HG3 LYS 53 HG3 LYS 53 3.251 -3.351 4.678 259 HD2 LYS 53 HD2 LYS 53 4.203 -4.064 1.859 260 HD3 LYS 53 HD3 LYS 53 5.184 -4.232 3.321 261 HE2 LYS 53 HE2 LYS 53 3.364 -5.766 4.251 262 HE3 LYS 53 HE3 LYS 53 2.633 -5.740 2.639 263 HZ1 LYS 53 HZ1 LYS 53 4.151 -7.641 2.770 264 HZ2 LYS 53 HZ2 LYS 53 5.365 -6.703 3.324 265 HZ3 LYS 53 HZ3 LYS 53 4.839 -6.541 1.790 266 H VAL 54 H VAL 54 3.802 -0.835 2.440 267 HA VAL 54 HA VAL 54 3.068 1.342 0.570 268 HB VAL 54 HB VAL 54 4.920 1.654 2.161 269 HG11 VAL 54 HG11 VAL 54 6.505 -0.394 0.562 270 HG12 VAL 54 HG12 VAL 54 7.083 0.618 1.894 271 HG13 VAL 54 HG13 VAL 54 5.889 -0.648 2.211 272 HG21 VAL 54 HG21 VAL 54 5.829 1.663 -0.736 273 HG22 VAL 54 HG22 VAL 54 4.800 2.880 0.054 274 HG23 VAL 54 HG23 VAL 54 6.471 2.642 0.599 275 H TYR 55 H TYR 55 3.041 1.172 -1.590 276 HA TYR 55 HA TYR 55 4.209 -1.202 -2.940 277 HB2 TYR 55 HB2 TYR 55 1.383 -0.171 -3.363 278 HB3 TYR 55 HB3 TYR 55 2.131 -1.481 -4.257 279 HD1 TYR 55 HD2 TYR 55 2.576 -3.684 -3.181 280 HD2 TYR 55 HD1 TYR 55 0.541 -0.517 -1.078 281 HE1 TYR 55 HE2 TYR 55 1.857 -5.299 -1.408 282 HE2 TYR 55 HE1 TYR 55 -0.195 -2.151 0.655 283 HH TYR 55 HH TYR 55 0.819 -5.565 0.590 284 H GLU 56 H GLU 56 4.044 -0.831 -5.426 285 HA GLU 56 HA GLU 56 4.821 1.995 -6.067 286 HB2 GLU 56 HB2 GLU 56 6.250 -0.578 -6.844 287 HB3 GLU 56 HB3 GLU 56 6.557 1.007 -7.565 288 HG2 GLU 56 HG2 GLU 56 7.132 1.900 -5.297 289 HG3 GLU 56 HG3 GLU 56 6.944 0.273 -4.633 290 H GLY 57 H GLY 57 3.292 2.745 -7.342 291 HA2 GLY 57 HA2 GLY 57 2.142 3.102 -9.338 292 HA3 GLY 57 HA3 GLY 57 2.695 1.543 -9.954 293 H CYS 58 H CYS 58 0.146 2.249 -10.495 294 HA CYS 58 HA CYS 58 -1.827 1.650 -8.571 295 HB2 CYS 58 HB2 CYS 58 -3.356 1.410 -10.550 296 HB3 CYS 58 HB3 CYS 58 -2.487 2.931 -10.389 297 HG CYS 58 HG CYS 58 -2.679 2.284 -12.933 298 H TYR 59 H TYR 59 -2.672 -0.021 -7.773 299 HA TYR 59 HA TYR 59 -2.245 -2.768 -8.897 300 HB2 TYR 59 HB2 TYR 59 -0.477 -2.344 -7.300 301 HB3 TYR 59 HB3 TYR 59 -1.623 -1.745 -6.108 302 HD1 TYR 59 HD2 TYR 59 -0.996 -4.840 -8.174 303 HD2 TYR 59 HD1 TYR 59 -2.257 -3.185 -4.393 304 HE1 TYR 59 HE2 TYR 59 -1.359 -7.140 -7.294 305 HE2 TYR 59 HE1 TYR 59 -2.703 -5.490 -3.545 306 HH TYR 59 HH TYR 59 -2.101 -8.394 -5.569 307 H THR 60 H THR 60 -4.106 -0.800 -6.597 308 HA THR 60 HA THR 60 -6.520 -2.468 -7.129 309 HB THR 60 HB THR 60 -5.375 -3.450 -5.162 310 HG1 THR 60 HG1 THR 60 -7.581 -3.675 -5.317 311 HG21 THR 60 HG21 THR 60 -4.434 -1.395 -4.140 312 HG22 THR 60 HG22 THR 60 -5.408 -2.343 -3.004 313 HG23 THR 60 HG23 THR 60 -6.079 -0.864 -3.712 314 H GLY 61 H GLY 61 -5.183 0.618 -6.196 315 HA2 GLY 61 HA2 GLY 61 -7.572 2.065 -6.920 316 HA3 GLY 61 HA3 GLY 61 -7.278 2.074 -5.172 317 H GLY 62 H GLY 62 -7.053 4.411 -5.510 318 HA2 GLY 62 HA2 GLY 62 -4.247 5.230 -6.004 319 HA3 GLY 62 HA3 GLY 62 -5.474 5.946 -7.035 320 H TYR 63 H TYR 63 -5.098 5.273 -3.552 321 HA TYR 63 HA TYR 63 -6.716 7.510 -2.729 322 HB2 TYR 63 HB2 TYR 63 -4.703 5.906 -1.106 323 HB3 TYR 63 HB3 TYR 63 -5.959 6.941 -0.459 324 HD1 TYR 63 HD1 TYR 63 -8.421 6.286 -1.770 325 HD2 TYR 63 HD2 TYR 63 -5.176 3.683 -0.626 326 HE1 TYR 63 HE1 TYR 63 -10.009 4.384 -1.600 327 HE2 TYR 63 HE2 TYR 63 -6.793 1.778 -0.413 328 HH TYR 63 HH TYR 63 -10.262 2.149 -1.180 329 H SER 64 H SER 64 -3.303 7.210 -3.186 330 HA SER 64 HA SER 64 -1.451 8.422 -2.849 331 HB2 SER 64 HB2 SER 64 -1.389 10.615 -3.588 332 HB3 SER 64 HB3 SER 64 -2.664 9.826 -4.513 333 HG SER 64 HG SER 64 -4.138 10.740 -2.857 334 H ARG 65 H ARG 65 -3.672 8.549 -0.399 335 HA ARG 65 HA ARG 65 -1.755 9.868 1.489 336 HB2 ARG 65 HB2 ARG 65 -4.802 10.030 1.467 337 HB3 ARG 65 HB3 ARG 65 -3.782 10.651 2.755 338 HG2 ARG 65 HG2 ARG 65 -3.726 11.637 -0.131 339 HG3 ARG 65 HG3 ARG 65 -4.574 12.406 1.212 340 HD2 ARG 65 HD2 ARG 65 -2.417 12.673 2.422 341 HD3 ARG 65 HD3 ARG 65 -1.559 11.991 1.034 342 HE ARG 65 HE ARG 65 -3.066 14.031 -0.076 343 HH11 ARG 65 HH11 ARG 65 -0.628 14.031 2.427 344 HH12 ARG 65 HH12 ARG 65 -0.195 15.693 2.131 345 HH21 ARG 65 HH21 ARG 65 -2.490 16.129 -0.403 346 HH22 ARG 65 HH22 ARG 65 -1.228 16.844 0.553 347 H MET 66 H MET 66 -1.245 8.863 3.235 348 HA MET 66 HA MET 66 -1.930 6.148 3.780 349 HB2 MET 66 HB2 MET 66 0.174 7.328 4.371 350 HB3 MET 66 HB3 MET 66 -0.679 8.224 5.619 351 HG2 MET 66 HG2 MET 66 -1.168 6.254 6.881 352 HG3 MET 66 HG3 MET 66 -0.705 5.181 5.563 353 HE1 MET 66 HE1 MET 66 1.527 4.106 5.285 354 HE2 MET 66 HE2 MET 66 1.946 5.638 4.491 355 HE3 MET 66 HE3 MET 66 3.063 4.912 5.666 356 H GLY 67 H GLY 67 -3.292 9.190 5.026 357 HA2 GLY 67 HA2 GLY 67 -4.961 8.005 7.076 358 HA3 GLY 67 HA3 GLY 67 -5.154 9.605 6.361 359 H GLU 68 H GLU 68 -5.336 8.248 3.588 360 HA GLU 68 HA GLU 68 -8.231 7.664 3.676 361 HB2 GLU 68 HB2 GLU 68 -6.296 8.151 1.418 362 HB3 GLU 68 HB3 GLU 68 -7.927 7.505 1.161 363 HG2 GLU 68 HG2 GLU 68 -8.879 9.457 2.392 364 HG3 GLU 68 HG3 GLU 68 -7.256 10.126 2.567 365 H CYS 69 H CYS 69 -5.198 5.873 2.858 366 HA CYS 69 HA CYS 69 -6.625 3.430 2.285 367 HB2 CYS 69 HB2 CYS 69 -4.564 2.336 2.256 368 HB3 CYS 69 HB3 CYS 69 -4.320 3.925 1.568 369 H ALA 70 H ALA 70 -5.756 4.935 5.290 370 HA ALA 70 HA ALA 70 -6.353 2.679 7.022 371 HB1 ALA 70 HB1 ALA 70 -4.838 4.496 7.707 372 HB2 ALA 70 HB2 ALA 70 -6.146 5.687 7.548 373 HB3 ALA 70 HB3 ALA 70 -6.243 4.418 8.789 374 H ARG 71 H ARG 71 -8.177 5.761 6.390 375 HA ARG 71 HA ARG 71 -10.426 4.959 7.914 376 HB2 ARG 71 HB2 ARG 71 -11.528 6.897 7.197 377 HB3 ARG 71 HB3 ARG 71 -9.817 7.302 7.200 378 HG2 ARG 71 HG2 ARG 71 -9.856 6.777 4.667 379 HG3 ARG 71 HG3 ARG 71 -11.607 6.679 4.800 380 HD2 ARG 71 HD2 ARG 71 -11.017 8.853 3.984 381 HD3 ARG 71 HD3 ARG 71 -11.693 9.013 5.616 382 HE ARG 71 HE ARG 71 -8.890 8.811 5.914 383 HH11 ARG 71 HH11 ARG 71 -11.017 11.108 4.351 384 HH12 ARG 71 HH12 ARG 71 -9.943 12.448 4.650 385 HH21 ARG 71 HH21 ARG 71 -7.652 10.565 6.400 386 HH22 ARG 71 HH22 ARG 71 -8.062 12.130 5.764 387 H ASN 72 H ASN 72 -9.804 4.205 4.571 388 HA ASN 72 HA ASN 72 -12.484 3.159 4.003 389 HB2 ASN 72 HB2 ASN 72 -9.791 2.995 2.587 390 HB3 ASN 72 HB3 ASN 72 -11.201 2.108 2.026 391 HD21 ASN 72 HD21 ASN 72 -9.737 5.258 2.171 392 HD22 ASN 72 HD22 ASN 72 -11.017 6.058 1.247 393 H CYS 73 H CYS 73 -10.007 1.949 5.992 394 HA CYS 73 HA CYS 73 -11.007 -0.850 5.746 395 HB2 CYS 73 HB2 CYS 73 -8.327 0.321 5.385 396 HB3 CYS 73 HB3 CYS 73 -8.333 -0.982 6.552 397 HA PRO 74 HA PRO 74 -11.550 -0.992 10.068 398 HB2 PRO 74 HB2 PRO 74 -10.964 -3.552 10.806 399 HB3 PRO 74 HB3 PRO 74 -12.320 -3.129 9.719 400 HG2 PRO 74 HG2 PRO 74 -9.553 -4.089 8.954 401 HG3 PRO 74 HG3 PRO 74 -11.132 -4.686 8.360 402 HD2 PRO 74 HD2 PRO 74 -9.635 -2.867 6.987 403 HD3 PRO 74 HD3 PRO 74 -11.422 -2.814 6.973 404 H GLY 75 H GLY 75 -8.313 -1.255 9.011 405 HA2 GLY 75 HA2 GLY 75 -7.046 -1.394 11.686 406 HA3 GLY 75 HA3 GLY 75 -6.230 -1.340 10.130 Start of MODEL 5 1 H1 GLY 19 H1 GLY 19 2.614 -0.106 23.228 2 H2 GLY 19 H2 GLY 19 4.023 -0.394 22.424 3 H3 GLY 19 H3 GLY 19 3.365 1.103 22.417 4 HA2 GLY 19 HA2 GLY 19 2.084 -1.267 21.216 5 HA3 GLY 19 HA3 GLY 19 1.502 0.409 21.117 6 H ASP 20 H ASP 20 3.716 -1.952 19.868 7 HA ASP 20 HA ASP 20 5.267 0.075 18.305 8 HB2 ASP 20 HB2 ASP 20 6.175 -2.407 19.803 9 HB3 ASP 20 HB3 ASP 20 7.199 -1.412 18.767 10 H LYS 21 H LYS 21 3.900 -0.248 16.509 11 HA LYS 21 HA LYS 21 3.734 -2.856 15.147 12 HB2 LYS 21 HB2 LYS 21 2.814 -0.083 14.268 13 HB3 LYS 21 HB3 LYS 21 2.600 -1.571 13.360 14 HG2 LYS 21 HG2 LYS 21 0.556 -1.443 14.346 15 HG3 LYS 21 HG3 LYS 21 1.398 -2.504 15.462 16 HD2 LYS 21 HD2 LYS 21 0.066 -0.943 16.709 17 HD3 LYS 21 HD3 LYS 21 1.753 -0.521 16.995 18 HE2 LYS 21 HE2 LYS 21 1.573 1.297 15.287 19 HE3 LYS 21 HE3 LYS 21 -0.101 0.827 14.971 20 HZ1 LYS 21 HZ1 LYS 21 0.008 2.697 16.504 21 HZ2 LYS 21 HZ2 LYS 21 0.923 1.861 17.565 22 HZ3 LYS 21 HZ3 LYS 21 -0.627 1.413 17.280 23 H GLU 22 H GLU 22 5.994 -3.237 15.051 24 HA GLU 22 HA GLU 22 7.849 -1.785 13.416 25 HB2 GLU 22 HB2 GLU 22 7.711 -4.768 14.022 26 HB3 GLU 22 HB3 GLU 22 9.080 -3.946 13.265 27 HG2 GLU 22 HG2 GLU 22 9.311 -2.496 15.285 28 HG3 GLU 22 HG3 GLU 22 8.013 -3.398 16.067 29 H GLU 23 H GLU 23 5.477 -4.262 12.542 30 HA GLU 23 HA GLU 23 5.290 -3.323 9.820 31 HB2 GLU 23 HB2 GLU 23 5.807 -5.410 8.680 32 HB3 GLU 23 HB3 GLU 23 7.215 -4.836 9.554 33 HG2 GLU 23 HG2 GLU 23 6.729 -6.476 11.389 34 HG3 GLU 23 HG3 GLU 23 5.354 -7.078 10.457 35 H CYS 24 H CYS 24 3.695 -5.032 8.608 36 HA CYS 24 HA CYS 24 1.647 -6.087 10.475 37 HB2 CYS 24 HB2 CYS 24 0.912 -3.817 9.712 38 HB3 CYS 24 HB3 CYS 24 0.998 -4.392 8.042 39 H THR 25 H THR 25 1.278 -8.161 10.008 40 HA THR 25 HA THR 25 2.459 -9.578 7.865 41 HB THR 25 HB THR 25 0.105 -10.465 9.576 42 HG1 THR 25 HG1 THR 25 2.898 -10.703 10.053 43 HG21 THR 25 HG21 THR 25 0.597 -12.041 7.742 44 HG22 THR 25 HG22 THR 25 1.109 -12.720 9.292 45 HG23 THR 25 HG23 THR 25 2.321 -12.044 8.181 46 H VAL 26 H VAL 26 1.899 -9.809 5.812 47 HA VAL 26 HA VAL 26 -0.616 -8.818 4.739 48 HB VAL 26 HB VAL 26 1.439 -10.408 3.204 49 HG11 VAL 26 HG11 VAL 26 0.748 -9.038 1.319 50 HG12 VAL 26 HG12 VAL 26 -0.665 -9.821 2.028 51 HG13 VAL 26 HG13 VAL 26 -0.343 -8.104 2.363 52 HG21 VAL 26 HG21 VAL 26 2.769 -8.673 4.308 53 HG22 VAL 26 HG22 VAL 26 2.534 -8.220 2.625 54 HG23 VAL 26 HG23 VAL 26 1.560 -7.439 3.889 55 HA PRO 27 HA PRO 27 -2.647 -12.869 5.000 56 HB2 PRO 27 HB2 PRO 27 -4.977 -12.343 3.700 57 HB3 PRO 27 HB3 PRO 27 -4.573 -11.560 5.259 58 HG2 PRO 27 HG2 PRO 27 -4.123 -10.449 2.459 59 HG3 PRO 27 HG3 PRO 27 -4.987 -9.668 3.830 60 HD2 PRO 27 HD2 PRO 27 -2.355 -9.160 3.304 61 HD3 PRO 27 HD3 PRO 27 -2.952 -9.272 4.986 62 H ILE 28 H ILE 28 -3.513 -14.586 3.615 63 HA ILE 28 HA ILE 28 -1.931 -15.202 1.314 64 HB ILE 28 HB ILE 28 -4.587 -16.428 2.158 65 HG12 ILE 28 HG12 ILE 28 -3.140 -16.547 4.083 66 HG13 ILE 28 HG13 ILE 28 -3.298 -18.134 3.371 67 HG21 ILE 28 HG21 ILE 28 -4.027 -17.206 -0.055 68 HG22 ILE 28 HG22 ILE 28 -2.345 -17.537 0.418 69 HG23 ILE 28 HG23 ILE 28 -3.678 -18.505 1.078 70 HD11 ILE 28 HD11 ILE 28 -1.001 -17.737 4.102 71 HD12 ILE 28 HD12 ILE 28 -1.035 -17.911 2.341 72 HD13 ILE 28 HD13 ILE 28 -0.875 -16.298 3.080 73 H GLY 29 H GLY 29 -2.407 -15.273 -0.890 74 HA2 GLY 29 HA2 GLY 29 -3.483 -14.771 -2.899 75 HA3 GLY 29 HA3 GLY 29 -4.924 -14.289 -2.010 76 H TRP 30 H TRP 30 -1.814 -12.863 -1.289 77 HA TRP 30 HA TRP 30 -2.667 -10.174 -1.560 78 HB2 TRP 30 HB2 TRP 30 -0.282 -9.675 -1.048 79 HB3 TRP 30 HB3 TRP 30 -1.024 -10.840 0.011 80 HD1 TRP 30 HD1 TRP 30 0.832 -11.512 -3.355 81 HE1 TRP 30 HE1 TRP 30 2.703 -13.216 -2.910 82 HE3 TRP 30 HE3 TRP 30 0.331 -11.927 1.680 83 HZ2 TRP 30 HZ2 TRP 30 3.842 -14.588 -0.639 84 HZ3 TRP 30 HZ3 TRP 30 1.827 -13.446 3.004 85 HH2 TRP 30 HH2 TRP 30 3.579 -14.777 1.843 86 H SER 31 H SER 31 -1.105 -8.596 -2.591 87 HA SER 31 HA SER 31 -0.301 -9.199 -5.379 88 HB2 SER 31 HB2 SER 31 -2.705 -8.334 -5.310 89 HB3 SER 31 HB3 SER 31 -2.033 -6.771 -4.833 90 HG SER 31 HG SER 31 -1.534 -8.273 -7.223 91 H GLU 32 H GLU 32 1.387 -9.062 -3.426 92 HA GLU 32 HA GLU 32 2.565 -6.527 -2.781 93 HB2 GLU 32 HB2 GLU 32 4.465 -7.861 -1.968 94 HB3 GLU 32 HB3 GLU 32 2.915 -8.445 -1.421 95 HG2 GLU 32 HG2 GLU 32 3.932 -10.418 -1.870 96 HG3 GLU 32 HG3 GLU 32 3.083 -10.176 -3.384 97 HA PRO 33 HA PRO 33 4.476 -5.315 -6.446 98 HB2 PRO 33 HB2 PRO 33 6.611 -3.788 -5.680 99 HB3 PRO 33 HB3 PRO 33 4.910 -3.358 -5.296 100 HG2 PRO 33 HG2 PRO 33 6.891 -4.817 -3.518 101 HG3 PRO 33 HG3 PRO 33 5.917 -3.362 -3.127 102 HD2 PRO 33 HD2 PRO 33 5.069 -5.835 -2.435 103 HD3 PRO 33 HD3 PRO 33 3.903 -4.628 -3.051 104 H VAL 34 H VAL 34 6.205 -5.454 -7.964 105 HA VAL 34 HA VAL 34 7.829 -7.888 -7.714 106 HB VAL 34 HB VAL 34 6.595 -7.299 -9.769 107 HG11 VAL 34 HG11 VAL 34 8.745 -5.194 -10.257 108 HG12 VAL 34 HG12 VAL 34 7.460 -5.695 -11.369 109 HG13 VAL 34 HG13 VAL 34 7.039 -4.853 -9.873 110 HG21 VAL 34 HG21 VAL 34 8.277 -8.043 -11.333 111 HG22 VAL 34 HG22 VAL 34 9.585 -7.582 -10.228 112 HG23 VAL 34 HG23 VAL 34 8.474 -8.902 -9.796 113 H LYS 35 H LYS 35 8.391 -4.449 -7.505 114 HA LYS 35 HA LYS 35 11.338 -4.743 -7.374 115 HB2 LYS 35 HB2 LYS 35 11.483 -2.431 -7.528 116 HB3 LYS 35 HB3 LYS 35 10.184 -2.873 -8.619 117 HG2 LYS 35 HG2 LYS 35 8.807 -1.405 -7.620 118 HG3 LYS 35 HG3 LYS 35 8.930 -2.281 -6.107 119 HD2 LYS 35 HD2 LYS 35 9.603 -0.048 -5.601 120 HD3 LYS 35 HD3 LYS 35 11.069 -1.002 -5.613 121 HE2 LYS 35 HE2 LYS 35 11.657 0.960 -6.751 122 HE3 LYS 35 HE3 LYS 35 11.435 -0.232 -8.033 123 HZ1 LYS 35 HZ1 LYS 35 9.466 1.852 -7.207 124 HZ2 LYS 35 HZ2 LYS 35 9.188 0.731 -8.383 125 HZ3 LYS 35 HZ3 LYS 35 10.348 1.862 -8.582 126 H GLY 36 H GLY 36 12.365 -3.310 -5.591 127 HA2 GLY 36 HA2 GLY 36 11.603 -4.346 -2.939 128 HA3 GLY 36 HA3 GLY 36 12.999 -3.343 -3.330 129 H LEU 37 H LEU 37 12.911 -1.200 -2.833 130 HA LEU 37 HA LEU 37 10.442 0.308 -2.657 131 HB2 LEU 37 HB2 LEU 37 10.652 -0.886 -0.402 132 HB3 LEU 37 HB3 LEU 37 12.155 -0.004 -0.157 133 HG LEU 37 HG LEU 37 10.773 2.156 -0.458 134 HD11 LEU 37 HD11 LEU 37 8.359 1.984 -0.001 135 HD12 LEU 37 HD12 LEU 37 8.462 0.207 -0.022 136 HD13 LEU 37 HD13 LEU 37 8.750 1.143 -1.501 137 HD21 LEU 37 HD21 LEU 37 9.923 2.081 1.853 138 HD22 LEU 37 HD22 LEU 37 11.535 1.359 1.738 139 HD23 LEU 37 HD23 LEU 37 10.105 0.312 1.871 140 H CYS 38 H CYS 38 10.937 2.085 -3.652 141 HA CYS 38 HA CYS 38 13.632 3.118 -4.115 142 HB2 CYS 38 HB2 CYS 38 11.589 3.175 -5.686 143 HB3 CYS 38 HB3 CYS 38 10.947 4.457 -4.661 144 HG CYS 38 HG CYS 38 13.787 4.306 -6.400 145 H LYS 39 H LYS 39 13.932 5.543 -3.776 146 HA LYS 39 HA LYS 39 13.323 6.317 -0.943 147 HB2 LYS 39 HB2 LYS 39 15.475 7.378 -0.820 148 HB3 LYS 39 HB3 LYS 39 15.609 5.695 -1.271 149 HG2 LYS 39 HG2 LYS 39 17.213 6.733 -2.559 150 HG3 LYS 39 HG3 LYS 39 15.907 6.468 -3.710 151 HD2 LYS 39 HD2 LYS 39 15.278 8.836 -3.599 152 HD3 LYS 39 HD3 LYS 39 16.399 9.103 -2.245 153 HE2 LYS 39 HE2 LYS 39 18.299 8.449 -3.742 154 HE3 LYS 39 HE3 LYS 39 17.161 8.289 -5.086 155 HZ1 LYS 39 HZ1 LYS 39 17.690 10.801 -3.581 156 HZ2 LYS 39 HZ2 LYS 39 16.637 10.663 -4.825 157 HZ3 LYS 39 HZ3 LYS 39 18.237 10.468 -5.080 158 H ALA 40 H ALA 40 12.104 7.096 -3.768 159 HA ALA 40 HA ALA 40 12.229 9.931 -3.971 160 HB1 ALA 40 HB1 ALA 40 10.190 9.670 -5.350 161 HB2 ALA 40 HB2 ALA 40 11.401 8.441 -5.759 162 HB3 ALA 40 HB3 ALA 40 9.994 8.007 -4.760 163 H ARG 41 H ARG 41 10.665 11.504 -3.489 164 HA ARG 41 HA ARG 41 9.563 11.373 -0.778 165 HB2 ARG 41 HB2 ARG 41 9.313 13.741 -0.950 166 HB3 ARG 41 HB3 ARG 41 10.877 13.277 -1.603 167 HG2 ARG 41 HG2 ARG 41 9.781 13.394 -3.941 168 HG3 ARG 41 HG3 ARG 41 8.410 14.182 -3.149 169 HD2 ARG 41 HD2 ARG 41 11.310 15.114 -3.174 170 HD3 ARG 41 HD3 ARG 41 9.990 15.805 -4.128 171 HE ARG 41 HE ARG 41 9.058 16.081 -1.560 172 HH11 ARG 41 HH11 ARG 41 12.030 17.138 -3.065 173 HH12 ARG 41 HH12 ARG 41 12.235 18.464 -1.953 174 HH21 ARG 41 HH21 ARG 41 9.371 17.777 -0.167 175 HH22 ARG 41 HH22 ARG 41 10.753 18.813 -0.362 176 H PHE 42 H PHE 42 8.187 10.154 -3.387 177 HA PHE 42 HA PHE 42 5.425 10.629 -2.487 178 HB2 PHE 42 HB2 PHE 42 4.620 10.995 -4.753 179 HB3 PHE 42 HB3 PHE 42 5.696 12.275 -4.233 180 HD1 PHE 42 HD1 PHE 42 8.049 12.412 -5.171 181 HD2 PHE 42 HD2 PHE 42 5.113 9.665 -6.724 182 HE1 PHE 42 HE1 PHE 42 9.409 12.124 -7.227 183 HE2 PHE 42 HE2 PHE 42 6.473 9.378 -8.778 184 HZ PHE 42 HZ PHE 42 8.625 10.601 -9.030 185 H THR 43 H THR 43 4.648 8.717 -2.039 186 HA THR 43 HA THR 43 5.004 6.417 -3.878 187 HB THR 43 HB THR 43 5.223 5.954 -0.891 188 HG1 THR 43 HG1 THR 43 7.455 5.973 -1.093 189 HG21 THR 43 HG21 THR 43 6.595 3.999 -1.767 190 HG22 THR 43 HG22 THR 43 6.170 4.511 -3.404 191 HG23 THR 43 HG23 THR 43 4.898 3.971 -2.272 192 H ARG 44 H ARG 44 3.345 4.737 -3.603 193 HA ARG 44 HA ARG 44 0.774 5.917 -2.655 194 HB2 ARG 44 HB2 ARG 44 1.304 5.214 -5.096 195 HB3 ARG 44 HB3 ARG 44 1.102 3.554 -4.536 196 HG2 ARG 44 HG2 ARG 44 -1.246 4.053 -3.934 197 HG3 ARG 44 HG3 ARG 44 -0.983 5.764 -4.273 198 HD2 ARG 44 HD2 ARG 44 -0.354 5.124 -6.653 199 HD3 ARG 44 HD3 ARG 44 -0.934 3.504 -6.300 200 HE ARG 44 HE ARG 44 -2.622 5.977 -6.068 201 HH11 ARG 44 HH11 ARG 44 -2.382 2.697 -7.371 202 HH12 ARG 44 HH12 ARG 44 -3.984 2.794 -8.027 203 HH21 ARG 44 HH21 ARG 44 -4.653 5.969 -7.005 204 HH22 ARG 44 HH22 ARG 44 -5.150 4.581 -7.924 205 H TYR 45 H TYR 45 -0.763 4.635 -1.528 206 HA TYR 45 HA TYR 45 0.402 2.394 0.074 207 HB2 TYR 45 HB2 TYR 45 -1.562 4.424 1.137 208 HB3 TYR 45 HB3 TYR 45 -0.626 3.249 2.041 209 HD1 TYR 45 HD2 TYR 45 2.173 3.872 0.859 210 HD2 TYR 45 HD1 TYR 45 -1.014 6.384 2.289 211 HE1 TYR 45 HE2 TYR 45 3.818 5.648 1.392 212 HE2 TYR 45 HE1 TYR 45 0.640 8.196 2.763 213 HH TYR 45 HH TYR 45 4.141 7.761 2.207 214 H TYR 46 H TYR 46 -0.856 0.651 0.474 215 HA TYR 46 HA TYR 46 -3.667 0.585 -0.580 216 HB2 TYR 46 HB2 TYR 46 -1.702 -1.694 -0.890 217 HB3 TYR 46 HB3 TYR 46 -3.267 -1.504 -1.658 218 HD1 TYR 46 HD1 TYR 46 -3.232 1.098 -2.927 219 HD2 TYR 46 HD2 TYR 46 -0.055 -1.775 -2.510 220 HE1 TYR 46 HE1 TYR 46 -2.037 2.123 -4.869 221 HE2 TYR 46 HE2 TYR 46 1.134 -0.750 -4.449 222 HH TYR 46 HH TYR 46 1.093 0.875 -6.050 223 H CYS 47 H CYS 47 -5.136 -0.500 0.690 224 HA CYS 47 HA CYS 47 -4.229 -1.713 3.219 225 HB2 CYS 47 HB2 CYS 47 -6.249 -0.278 3.231 226 HB3 CYS 47 HB3 CYS 47 -7.052 -1.456 2.180 227 H MET 48 H MET 48 -3.314 -3.633 3.022 228 HA MET 48 HA MET 48 -3.977 -5.516 0.886 229 HB2 MET 48 HB2 MET 48 -2.211 -5.863 3.340 230 HB3 MET 48 HB3 MET 48 -2.296 -6.961 1.958 231 HG2 MET 48 HG2 MET 48 -1.417 -4.054 1.832 232 HG3 MET 48 HG3 MET 48 -0.335 -5.434 1.901 233 HE1 MET 48 HE1 MET 48 -1.005 -7.575 -0.108 234 HE2 MET 48 HE2 MET 48 -0.266 -6.920 -1.587 235 HE3 MET 48 HE3 MET 48 0.551 -6.713 -0.027 236 H GLY 49 H GLY 49 -5.230 -5.054 4.063 237 HA2 GLY 49 HA2 GLY 49 -7.276 -7.031 3.792 238 HA3 GLY 49 HA3 GLY 49 -6.012 -7.693 4.832 239 H ASN 50 H ASN 50 -5.448 -6.484 6.771 240 HA ASN 50 HA ASN 50 -7.739 -4.957 7.939 241 HB2 ASN 50 HB2 ASN 50 -7.083 -5.838 10.068 242 HB3 ASN 50 HB3 ASN 50 -7.167 -7.173 8.928 243 HD21 ASN 50 HD21 ASN 50 -5.015 -5.216 10.944 244 HD22 ASN 50 HD22 ASN 50 -3.611 -6.246 10.676 245 H CYS 51 H CYS 51 -4.750 -4.274 6.674 246 HA CYS 51 HA CYS 51 -4.444 -1.715 8.109 247 HB2 CYS 51 HB2 CYS 51 -2.030 -2.216 8.508 248 HB3 CYS 51 HB3 CYS 51 -3.095 -3.301 9.399 249 H CYS 52 H CYS 52 -3.059 -0.224 6.872 250 HA CYS 52 HA CYS 52 -2.428 -1.145 4.120 251 HB2 CYS 52 HB2 CYS 52 -2.584 1.167 3.331 252 HB3 CYS 52 HB3 CYS 52 -4.115 0.481 3.828 253 H LYS 53 H LYS 53 -0.623 -0.569 3.123 254 HA LYS 53 HA LYS 53 1.675 0.495 4.696 255 HB2 LYS 53 HB2 LYS 53 1.195 -2.335 3.948 256 HB3 LYS 53 HB3 LYS 53 2.740 -1.736 3.345 257 HG2 LYS 53 HG2 LYS 53 3.431 -1.061 5.593 258 HG3 LYS 53 HG3 LYS 53 1.841 -1.470 6.225 259 HD2 LYS 53 HD2 LYS 53 3.249 -3.278 6.823 260 HD3 LYS 53 HD3 LYS 53 2.153 -3.833 5.558 261 HE2 LYS 53 HE2 LYS 53 4.259 -4.740 5.090 262 HE3 LYS 53 HE3 LYS 53 3.970 -3.512 3.863 263 HZ1 LYS 53 HZ1 LYS 53 6.239 -3.394 4.744 264 HZ2 LYS 53 HZ2 LYS 53 5.705 -3.160 6.264 265 HZ3 LYS 53 HZ3 LYS 53 5.454 -2.017 5.120 266 H VAL 54 H VAL 54 3.600 0.642 3.395 267 HA VAL 54 HA VAL 54 3.041 1.987 0.835 268 HB VAL 54 HB VAL 54 4.526 3.006 2.541 269 HG11 VAL 54 HG11 VAL 54 5.840 0.961 3.218 270 HG12 VAL 54 HG12 VAL 54 6.658 1.032 1.637 271 HG13 VAL 54 HG13 VAL 54 6.834 2.364 2.786 272 HG21 VAL 54 HG21 VAL 54 4.549 3.668 0.162 273 HG22 VAL 54 HG22 VAL 54 6.131 3.871 0.935 274 HG23 VAL 54 HG23 VAL 54 5.843 2.490 -0.145 275 H TYR 55 H TYR 55 3.251 1.206 -1.109 276 HA TYR 55 HA TYR 55 5.125 -0.971 -1.746 277 HB2 TYR 55 HB2 TYR 55 2.146 -1.160 -2.296 278 HB3 TYR 55 HB3 TYR 55 3.347 -2.281 -2.898 279 HD1 TYR 55 HD1 TYR 55 4.807 -3.523 -1.052 280 HD2 TYR 55 HD2 TYR 55 1.012 -1.624 -0.270 281 HE1 TYR 55 HE1 TYR 55 4.480 -4.985 0.944 282 HE2 TYR 55 HE2 TYR 55 0.715 -3.060 1.733 283 HH TYR 55 HH TYR 55 1.557 -4.789 2.986 284 H GLU 56 H GLU 56 5.190 -1.311 -4.166 285 HA GLU 56 HA GLU 56 4.570 1.165 -5.736 286 HB2 GLU 56 HB2 GLU 56 7.296 -0.097 -5.270 287 HB3 GLU 56 HB3 GLU 56 6.932 1.030 -6.584 288 HG2 GLU 56 HG2 GLU 56 6.242 2.735 -4.890 289 HG3 GLU 56 HG3 GLU 56 6.754 1.631 -3.597 290 H GLY 57 H GLY 57 3.249 0.274 -7.300 291 HA2 GLY 57 HA2 GLY 57 4.384 -1.232 -9.427 292 HA3 GLY 57 HA3 GLY 57 3.436 -2.327 -8.412 293 H CYS 58 H CYS 58 2.489 -2.368 -10.718 294 HA CYS 58 HA CYS 58 0.731 -0.345 -11.688 295 HB2 CYS 58 HB2 CYS 58 0.815 -3.346 -12.235 296 HB3 CYS 58 HB3 CYS 58 0.017 -2.128 -13.242 297 HG CYS 58 HG CYS 58 2.172 -0.708 -13.760 298 H TYR 59 H TYR 59 0.167 -1.408 -8.847 299 HA TYR 59 HA TYR 59 -2.340 -2.765 -8.703 300 HB2 TYR 59 HB2 TYR 59 -0.426 -2.472 -6.999 301 HB3 TYR 59 HB3 TYR 59 -1.140 -0.924 -6.623 302 HD1 TYR 59 HD2 TYR 59 -4.140 -1.711 -6.639 303 HD2 TYR 59 HD1 TYR 59 -0.623 -3.621 -4.992 304 HE1 TYR 59 HE2 TYR 59 -5.548 -2.880 -5.012 305 HE2 TYR 59 HE1 TYR 59 -2.056 -4.763 -3.314 306 HH TYR 59 HH TYR 59 -5.615 -4.374 -3.269 307 H THR 60 H THR 60 -3.888 -1.840 -9.909 308 HA THR 60 HA THR 60 -4.529 0.764 -10.467 309 HB THR 60 HB THR 60 -6.591 -1.434 -10.054 310 HG1 THR 60 HG1 THR 60 -4.987 -0.857 -12.324 311 HG21 THR 60 HG21 THR 60 -7.744 -0.366 -11.967 312 HG22 THR 60 HG22 THR 60 -6.524 0.926 -11.994 313 HG23 THR 60 HG23 THR 60 -7.616 0.750 -10.601 314 H GLY 61 H GLY 61 -6.286 -1.050 -7.911 315 HA2 GLY 61 HA2 GLY 61 -7.699 1.295 -6.960 316 HA3 GLY 61 HA3 GLY 61 -7.767 -0.332 -6.295 317 H GLY 62 H GLY 62 -6.216 2.775 -6.128 318 HA2 GLY 62 HA2 GLY 62 -5.357 2.267 -3.346 319 HA3 GLY 62 HA3 GLY 62 -4.101 2.780 -4.483 320 H TYR 63 H TYR 63 -4.422 4.313 -2.399 321 HA TYR 63 HA TYR 63 -6.347 6.511 -3.058 322 HB2 TYR 63 HB2 TYR 63 -5.229 5.685 -0.366 323 HB3 TYR 63 HB3 TYR 63 -6.513 6.836 -0.695 324 HD1 TYR 63 HD2 TYR 63 -8.723 6.042 -1.645 325 HD2 TYR 63 HD1 TYR 63 -5.685 3.316 -0.241 326 HE1 TYR 63 HE2 TYR 63 -10.423 4.226 -1.486 327 HE2 TYR 63 HE1 TYR 63 -7.403 1.510 -0.053 328 HH TYR 63 HH TYR 63 -10.814 2.029 -0.986 329 H SER 64 H SER 64 -2.981 6.034 -2.656 330 HA SER 64 HA SER 64 -1.148 7.365 -2.494 331 HB2 SER 64 HB2 SER 64 -2.518 8.310 -4.531 332 HB3 SER 64 HB3 SER 64 -2.644 9.755 -3.516 333 HG SER 64 HG SER 64 -0.779 9.776 -4.869 334 H ARG 65 H ARG 65 -3.496 7.819 -0.331 335 HA ARG 65 HA ARG 65 -1.860 9.621 1.390 336 HB2 ARG 65 HB2 ARG 65 -4.873 9.788 0.949 337 HB3 ARG 65 HB3 ARG 65 -4.041 10.571 2.279 338 HG2 ARG 65 HG2 ARG 65 -3.497 11.205 -0.655 339 HG3 ARG 65 HG3 ARG 65 -4.593 12.093 0.405 340 HD2 ARG 65 HD2 ARG 65 -2.657 12.456 1.993 341 HD3 ARG 65 HD3 ARG 65 -1.583 11.825 0.727 342 HE ARG 65 HE ARG 65 -3.027 13.780 -0.580 343 HH11 ARG 65 HH11 ARG 65 -1.041 13.906 2.293 344 HH12 ARG 65 HH12 ARG 65 -0.729 15.612 2.114 345 HH21 ARG 65 HH21 ARG 65 -2.603 15.940 -0.756 346 HH22 ARG 65 HH22 ARG 65 -1.588 16.724 0.418 347 H MET 66 H MET 66 -1.819 9.122 3.480 348 HA MET 66 HA MET 66 -2.354 6.389 4.221 349 HB2 MET 66 HB2 MET 66 -0.393 7.725 4.944 350 HB3 MET 66 HB3 MET 66 -1.452 8.753 5.894 351 HG2 MET 66 HG2 MET 66 -0.342 7.126 7.319 352 HG3 MET 66 HG3 MET 66 -2.075 6.845 7.316 353 HE1 MET 66 HE1 MET 66 1.472 5.522 6.336 354 HE2 MET 66 HE2 MET 66 1.111 4.093 5.344 355 HE3 MET 66 HE3 MET 66 0.789 5.716 4.705 356 H GLY 67 H GLY 67 -4.099 9.413 4.851 357 HA2 GLY 67 HA2 GLY 67 -5.852 8.396 6.939 358 HA3 GLY 67 HA3 GLY 67 -6.141 9.814 5.921 359 H GLU 68 H GLU 68 -6.311 8.940 3.469 360 HA GLU 68 HA GLU 68 -8.784 7.715 3.169 361 HB2 GLU 68 HB2 GLU 68 -6.540 8.187 1.180 362 HB3 GLU 68 HB3 GLU 68 -8.117 7.528 0.747 363 HG2 GLU 68 HG2 GLU 68 -8.412 9.700 0.236 364 HG3 GLU 68 HG3 GLU 68 -9.167 9.601 1.819 365 H CYS 69 H CYS 69 -5.588 6.033 2.922 366 HA CYS 69 HA CYS 69 -6.876 3.497 2.273 367 HB2 CYS 69 HB2 CYS 69 -4.812 2.488 2.404 368 HB3 CYS 69 HB3 CYS 69 -4.533 4.071 1.717 369 H ALA 70 H ALA 70 -6.257 5.153 5.307 370 HA ALA 70 HA ALA 70 -6.723 2.821 6.979 371 HB1 ALA 70 HB1 ALA 70 -6.567 4.464 8.810 372 HB2 ALA 70 HB2 ALA 70 -5.219 4.639 7.672 373 HB3 ALA 70 HB3 ALA 70 -6.567 5.799 7.641 374 H ARG 71 H ARG 71 -8.784 5.690 6.012 375 HA ARG 71 HA ARG 71 -10.911 5.017 7.819 376 HB2 ARG 71 HB2 ARG 71 -12.242 6.624 6.626 377 HB3 ARG 71 HB3 ARG 71 -10.590 7.242 6.745 378 HG2 ARG 71 HG2 ARG 71 -10.165 6.390 4.422 379 HG3 ARG 71 HG3 ARG 71 -11.866 5.914 4.307 380 HD2 ARG 71 HD2 ARG 71 -12.562 8.242 4.580 381 HD3 ARG 71 HD3 ARG 71 -10.858 8.751 4.715 382 HE ARG 71 HE ARG 71 -10.892 7.285 2.411 383 HH11 ARG 71 HH11 ARG 71 -12.761 10.083 3.367 384 HH12 ARG 71 HH12 ARG 71 -13.041 10.598 1.727 385 HH21 ARG 71 HH21 ARG 71 -11.285 8.004 0.300 386 HH22 ARG 71 HH22 ARG 71 -12.213 9.447 0.050 387 H ASN 72 H ASN 72 -10.140 3.722 4.726 388 HA ASN 72 HA ASN 72 -12.675 2.296 4.300 389 HB2 ASN 72 HB2 ASN 72 -9.962 2.351 2.904 390 HB3 ASN 72 HB3 ASN 72 -11.220 1.203 2.461 391 HD21 ASN 72 HD21 ASN 72 -10.158 4.489 2.008 392 HD22 ASN 72 HD22 ASN 72 -11.598 4.921 1.075 393 H CYS 73 H CYS 73 -10.040 1.700 6.392 394 HA CYS 73 HA CYS 73 -10.656 -1.219 6.507 395 HB2 CYS 73 HB2 CYS 73 -8.091 0.231 5.981 396 HB3 CYS 73 HB3 CYS 73 -7.996 -1.163 7.036 397 HA PRO 74 HA PRO 74 -10.912 -0.845 10.852 398 HB2 PRO 74 HB2 PRO 74 -10.020 -3.207 11.866 399 HB3 PRO 74 HB3 PRO 74 -11.463 -3.086 10.815 400 HG2 PRO 74 HG2 PRO 74 -8.632 -3.803 10.011 401 HG3 PRO 74 HG3 PRO 74 -10.141 -4.683 9.616 402 HD2 PRO 74 HD2 PRO 74 -9.012 -2.918 7.876 403 HD3 PRO 74 HD3 PRO 74 -10.786 -3.061 8.031 404 H GLY 75 H GLY 75 -7.739 -1.026 9.576 405 HA2 GLY 75 HA2 GLY 75 -6.435 -0.106 12.127 406 HA3 GLY 75 HA3 GLY 75 -5.632 -1.071 10.882 Start of MODEL 6 1 H1 GLY 19 H1 GLY 19 10.278 -6.320 6.710 2 H2 GLY 19 H2 GLY 19 11.570 -5.644 5.964 3 H3 GLY 19 H3 GLY 19 11.757 -6.386 7.410 4 HA2 GLY 19 HA2 GLY 19 11.796 -3.989 7.705 5 HA3 GLY 19 HA3 GLY 19 10.202 -3.922 6.933 6 H ASP 20 H ASP 20 11.945 -4.566 9.877 7 HA ASP 20 HA ASP 20 10.035 -6.142 11.257 8 HB2 ASP 20 HB2 ASP 20 11.400 -5.774 13.183 9 HB3 ASP 20 HB3 ASP 20 12.445 -5.975 11.785 10 H LYS 21 H LYS 21 10.046 -2.683 10.811 11 HA LYS 21 HA LYS 21 8.610 -1.904 13.115 12 HB2 LYS 21 HB2 LYS 21 10.000 -0.563 11.295 13 HB3 LYS 21 HB3 LYS 21 8.453 -0.418 10.481 14 HG2 LYS 21 HG2 LYS 21 8.725 1.559 11.762 15 HG3 LYS 21 HG3 LYS 21 7.548 0.606 12.668 16 HD2 LYS 21 HD2 LYS 21 9.440 -0.207 14.144 17 HD3 LYS 21 HD3 LYS 21 10.544 0.833 13.230 18 HE2 LYS 21 HE2 LYS 21 9.169 2.821 13.871 19 HE3 LYS 21 HE3 LYS 21 8.086 1.766 14.790 20 HZ1 LYS 21 HZ1 LYS 21 10.974 2.171 15.372 21 HZ2 LYS 21 HZ2 LYS 21 9.982 1.180 16.214 22 HZ3 LYS 21 HZ3 LYS 21 9.738 2.791 16.236 23 H GLU 22 H GLU 22 7.303 -3.469 10.326 24 HA GLU 22 HA GLU 22 4.524 -2.936 11.328 25 HB2 GLU 22 HB2 GLU 22 5.361 -3.664 8.495 26 HB3 GLU 22 HB3 GLU 22 3.723 -3.584 9.118 27 HG2 GLU 22 HG2 GLU 22 3.743 -1.511 8.251 28 HG3 GLU 22 HG3 GLU 22 4.442 -1.093 9.804 29 H GLU 23 H GLU 23 3.813 -4.593 12.505 30 HA GLU 23 HA GLU 23 4.835 -7.320 12.200 31 HB2 GLU 23 HB2 GLU 23 2.600 -6.153 13.903 32 HB3 GLU 23 HB3 GLU 23 3.132 -7.837 13.952 33 HG2 GLU 23 HG2 GLU 23 5.445 -7.073 14.533 34 HG3 GLU 23 HG3 GLU 23 4.853 -5.412 14.617 35 H CYS 24 H CYS 24 2.272 -5.598 10.651 36 HA CYS 24 HA CYS 24 0.630 -7.943 10.048 37 HB2 CYS 24 HB2 CYS 24 -0.770 -6.503 8.880 38 HB3 CYS 24 HB3 CYS 24 -0.200 -5.560 10.243 39 H THR 25 H THR 25 0.289 -8.816 7.894 40 HA THR 25 HA THR 25 2.463 -8.485 5.892 41 HB THR 25 HB THR 25 1.649 -11.214 6.978 42 HG1 THR 25 HG1 THR 25 3.937 -9.626 7.508 43 HG21 THR 25 HG21 THR 25 3.714 -11.975 5.810 44 HG22 THR 25 HG22 THR 25 3.921 -10.347 5.130 45 HG23 THR 25 HG23 THR 25 2.512 -11.342 4.686 46 H VAL 26 H VAL 26 1.835 -8.954 3.790 47 HA VAL 26 HA VAL 26 -0.969 -8.850 3.182 48 HB VAL 26 HB VAL 26 1.193 -9.593 1.207 49 HG11 VAL 26 HG11 VAL 26 -0.212 -8.411 -0.407 50 HG12 VAL 26 HG12 VAL 26 -1.057 -9.771 0.324 51 HG13 VAL 26 HG13 VAL 26 -1.422 -8.117 0.857 52 HG21 VAL 26 HG21 VAL 26 0.434 -6.827 2.245 53 HG22 VAL 26 HG22 VAL 26 2.047 -7.572 2.265 54 HG23 VAL 26 HG23 VAL 26 1.319 -7.090 0.732 55 HA PRO 27 HA PRO 27 -1.624 -13.364 3.070 56 HB2 PRO 27 HB2 PRO 27 -4.222 -13.439 2.289 57 HB3 PRO 27 HB3 PRO 27 -3.743 -12.765 3.874 58 HG2 PRO 27 HG2 PRO 27 -4.261 -11.258 1.295 59 HG3 PRO 27 HG3 PRO 27 -4.972 -10.940 2.913 60 HD2 PRO 27 HD2 PRO 27 -2.748 -9.606 1.976 61 HD3 PRO 27 HD3 PRO 27 -2.963 -9.994 3.709 62 H ILE 28 H ILE 28 -2.827 -14.861 1.307 63 HA ILE 28 HA ILE 28 -1.269 -14.870 -1.085 64 HB ILE 28 HB ILE 28 -2.734 -16.700 -1.815 65 HG12 ILE 28 HG12 ILE 28 -4.375 -16.229 0.717 66 HG13 ILE 28 HG13 ILE 28 -4.894 -15.767 -0.904 67 HG21 ILE 28 HG21 ILE 28 -1.991 -16.989 1.126 68 HG22 ILE 28 HG22 ILE 28 -2.095 -18.269 -0.097 69 HG23 ILE 28 HG23 ILE 28 -0.834 -17.042 -0.221 70 HD11 ILE 28 HD11 ILE 28 -4.379 -18.604 0.063 71 HD12 ILE 28 HD12 ILE 28 -5.934 -17.858 -0.337 72 HD13 ILE 28 HD13 ILE 28 -4.747 -18.156 -1.622 73 H GLY 29 H GLY 29 -2.144 -14.985 -3.304 74 HA2 GLY 29 HA2 GLY 29 -3.507 -14.294 -5.088 75 HA3 GLY 29 HA3 GLY 29 -4.478 -13.303 -3.999 76 H TRP 30 H TRP 30 -2.951 -11.543 -2.873 77 HA TRP 30 HA TRP 30 -1.798 -9.814 -4.922 78 HB2 TRP 30 HB2 TRP 30 -1.921 -9.539 -1.923 79 HB3 TRP 30 HB3 TRP 30 -1.390 -8.283 -3.028 80 HD1 TRP 30 HD1 TRP 30 -3.425 -7.867 -5.105 81 HE1 TRP 30 HE1 TRP 30 -5.880 -7.225 -4.616 82 HE3 TRP 30 HE3 TRP 30 -3.737 -9.677 -0.417 83 HZ2 TRP 30 HZ2 TRP 30 -7.747 -7.488 -2.412 84 HZ3 TRP 30 HZ3 TRP 30 -5.884 -9.464 0.935 85 HH2 TRP 30 HH2 TRP 30 -7.864 -8.377 -0.076 86 H SER 31 H SER 31 0.330 -8.643 -4.025 87 HA SER 31 HA SER 31 2.427 -10.634 -3.319 88 HB2 SER 31 HB2 SER 31 3.993 -9.476 -4.860 89 HB3 SER 31 HB3 SER 31 2.713 -10.390 -5.664 90 HG SER 31 HG SER 31 1.642 -8.485 -6.133 91 H GLU 32 H GLU 32 3.789 -10.017 -1.784 92 HA GLU 32 HA GLU 32 3.305 -7.541 -0.338 93 HB2 GLU 32 HB2 GLU 32 4.909 -8.407 1.273 94 HB3 GLU 32 HB3 GLU 32 3.723 -9.630 0.839 95 HG2 GLU 32 HG2 GLU 32 5.414 -10.651 -0.728 96 HG3 GLU 32 HG3 GLU 32 6.599 -9.468 -0.167 97 HA PRO 33 HA PRO 33 6.564 -5.099 -2.156 98 HB2 PRO 33 HB2 PRO 33 7.061 -3.234 -0.226 99 HB3 PRO 33 HB3 PRO 33 5.506 -3.314 -1.106 100 HG2 PRO 33 HG2 PRO 33 6.167 -4.475 1.618 101 HG3 PRO 33 HG3 PRO 33 4.756 -3.468 1.153 102 HD2 PRO 33 HD2 PRO 33 4.635 -6.197 1.276 103 HD3 PRO 33 HD3 PRO 33 3.724 -5.284 0.041 104 H VAL 34 H VAL 34 8.801 -4.302 -1.746 105 HA VAL 34 HA VAL 34 10.450 -6.280 -0.192 106 HB VAL 34 HB VAL 34 11.036 -5.323 -3.006 107 HG11 VAL 34 HG11 VAL 34 12.186 -7.622 -1.370 108 HG12 VAL 34 HG12 VAL 34 12.546 -7.304 -3.081 109 HG13 VAL 34 HG13 VAL 34 13.043 -6.143 -1.861 110 HG21 VAL 34 HG21 VAL 34 10.365 -7.599 -3.782 111 HG22 VAL 34 HG22 VAL 34 9.727 -7.942 -2.159 112 HG23 VAL 34 HG23 VAL 34 9.002 -6.673 -3.173 113 H LYS 35 H LYS 35 9.958 -2.988 -1.047 114 HA LYS 35 HA LYS 35 11.038 -1.020 -0.850 115 HB2 LYS 35 HB2 LYS 35 11.922 -2.558 1.576 116 HB3 LYS 35 HB3 LYS 35 12.449 -0.885 1.328 117 HG2 LYS 35 HG2 LYS 35 10.074 -0.160 1.203 118 HG3 LYS 35 HG3 LYS 35 9.557 -1.834 1.448 119 HD2 LYS 35 HD2 LYS 35 9.379 -0.677 3.547 120 HD3 LYS 35 HD3 LYS 35 10.701 -1.847 3.673 121 HE2 LYS 35 HE2 LYS 35 12.349 -0.018 3.284 122 HE3 LYS 35 HE3 LYS 35 11.027 1.142 3.106 123 HZ1 LYS 35 HZ1 LYS 35 10.408 0.682 5.424 124 HZ2 LYS 35 HZ2 LYS 35 11.954 1.192 5.347 125 HZ3 LYS 35 HZ3 LYS 35 11.635 -0.389 5.584 126 H GLY 36 H GLY 36 12.834 -3.474 -1.971 127 HA2 GLY 36 HA2 GLY 36 15.396 -1.959 -2.187 128 HA3 GLY 36 HA3 GLY 36 15.167 -3.678 -2.460 129 H LEU 37 H LEU 37 12.653 -2.486 -4.167 130 HA LEU 37 HA LEU 37 14.052 -2.637 -6.744 131 HB2 LEU 37 HB2 LEU 37 11.153 -2.378 -5.916 132 HB3 LEU 37 HB3 LEU 37 11.663 -2.006 -7.559 133 HG LEU 37 HG LEU 37 12.707 -4.315 -7.695 134 HD11 LEU 37 HD11 LEU 37 12.779 -4.911 -5.295 135 HD12 LEU 37 HD12 LEU 37 11.765 -6.046 -6.186 136 HD13 LEU 37 HD13 LEU 37 11.003 -4.772 -5.210 137 HD21 LEU 37 HD21 LEU 37 10.538 -5.399 -8.147 138 HD22 LEU 37 HD22 LEU 37 10.565 -3.739 -8.758 139 HD23 LEU 37 HD23 LEU 37 9.700 -4.110 -7.251 140 H CYS 38 H CYS 38 11.837 -0.135 -5.496 141 HA CYS 38 HA CYS 38 13.777 1.991 -6.295 142 HB2 CYS 38 HB2 CYS 38 12.040 1.531 -8.095 143 HB3 CYS 38 HB3 CYS 38 10.799 2.041 -6.941 144 HG CYS 38 HG CYS 38 13.406 3.719 -8.161 145 H LYS 39 H LYS 39 13.543 3.954 -5.256 146 HA LYS 39 HA LYS 39 11.748 4.276 -2.899 147 HB2 LYS 39 HB2 LYS 39 14.744 4.203 -2.865 148 HB3 LYS 39 HB3 LYS 39 13.918 5.346 -1.801 149 HG2 LYS 39 HG2 LYS 39 12.987 3.752 -0.465 150 HG3 LYS 39 HG3 LYS 39 12.786 2.589 -1.768 151 HD2 LYS 39 HD2 LYS 39 14.371 1.748 -0.197 152 HD3 LYS 39 HD3 LYS 39 15.139 2.049 -1.765 153 HE2 LYS 39 HE2 LYS 39 16.088 4.176 -0.870 154 HE3 LYS 39 HE3 LYS 39 15.294 3.876 0.682 155 HZ1 LYS 39 HZ1 LYS 39 17.373 2.132 -0.531 156 HZ2 LYS 39 HZ2 LYS 39 16.641 1.856 0.904 157 HZ3 LYS 39 HZ3 LYS 39 17.614 3.152 0.719 158 H ALA 40 H ALA 40 10.580 5.612 -4.287 159 HA ALA 40 HA ALA 40 11.623 8.384 -4.488 160 HB1 ALA 40 HB1 ALA 40 10.241 6.932 -6.788 161 HB2 ALA 40 HB2 ALA 40 10.771 8.631 -6.772 162 HB3 ALA 40 HB3 ALA 40 11.973 7.332 -6.710 163 H ARG 41 H ARG 41 9.771 9.860 -5.232 164 HA ARG 41 HA ARG 41 7.722 9.700 -3.144 165 HB2 ARG 41 HB2 ARG 41 8.358 11.850 -5.218 166 HB3 ARG 41 HB3 ARG 41 7.167 11.996 -3.932 167 HG2 ARG 41 HG2 ARG 41 8.891 13.014 -2.869 168 HG3 ARG 41 HG3 ARG 41 9.150 11.361 -2.327 169 HD2 ARG 41 HD2 ARG 41 11.258 12.333 -2.863 170 HD3 ARG 41 HD3 ARG 41 10.928 11.106 -4.086 171 HE ARG 41 HE ARG 41 9.975 13.609 -5.063 172 HH11 ARG 41 HH11 ARG 41 13.089 12.196 -4.329 173 HH12 ARG 41 HH12 ARG 41 13.928 13.235 -5.449 174 HH21 ARG 41 HH21 ARG 41 11.094 14.905 -6.465 175 HH22 ARG 41 HH22 ARG 41 12.816 14.729 -6.621 176 H PHE 42 H PHE 42 7.692 8.509 -6.216 177 HA PHE 42 HA PHE 42 5.022 9.314 -7.025 178 HB2 PHE 42 HB2 PHE 42 6.734 7.157 -8.271 179 HB3 PHE 42 HB3 PHE 42 5.526 8.173 -9.050 180 HD1 PHE 42 HD2 PHE 42 6.257 10.919 -8.219 181 HD2 PHE 42 HD1 PHE 42 8.821 7.600 -9.236 182 HE1 PHE 42 HE2 PHE 42 8.059 12.500 -8.843 183 HE2 PHE 42 HE1 PHE 42 10.625 9.188 -9.846 184 HZ PHE 42 HZ PHE 42 10.249 11.637 -9.648 185 H THR 43 H THR 43 6.142 6.663 -5.109 186 HA THR 43 HA THR 43 4.132 4.721 -5.764 187 HB THR 43 HB THR 43 5.507 4.943 -3.060 188 HG1 THR 43 HG1 THR 43 6.556 3.887 -5.488 189 HG21 THR 43 HG21 THR 43 4.550 2.642 -4.811 190 HG22 THR 43 HG22 THR 43 3.994 3.055 -3.180 191 HG23 THR 43 HG23 THR 43 5.624 2.416 -3.414 192 H ARG 44 H ARG 44 2.419 3.960 -4.320 193 HA ARG 44 HA ARG 44 1.051 6.085 -2.712 194 HB2 ARG 44 HB2 ARG 44 0.281 6.217 -5.014 195 HB3 ARG 44 HB3 ARG 44 -0.105 4.507 -5.041 196 HG2 ARG 44 HG2 ARG 44 -2.004 4.820 -3.599 197 HG3 ARG 44 HG3 ARG 44 -1.459 6.395 -3.092 198 HD2 ARG 44 HD2 ARG 44 -3.261 6.783 -4.564 199 HD3 ARG 44 HD3 ARG 44 -1.788 7.266 -5.415 200 HE ARG 44 HE ARG 44 -2.338 4.562 -6.122 201 HH11 ARG 44 HH11 ARG 44 -3.712 7.729 -6.727 202 HH12 ARG 44 HH12 ARG 44 -4.539 7.188 -8.160 203 HH21 ARG 44 HH21 ARG 44 -3.534 3.917 -7.898 204 HH22 ARG 44 HH22 ARG 44 -4.395 5.096 -8.811 205 H TYR 45 H TYR 45 -0.828 5.232 -1.488 206 HA TYR 45 HA TYR 45 0.019 2.727 -0.125 207 HB2 TYR 45 HB2 TYR 45 -1.562 4.953 1.142 208 HB3 TYR 45 HB3 TYR 45 -0.604 3.710 1.923 209 HD1 TYR 45 HD2 TYR 45 2.012 4.177 0.210 210 HD2 TYR 45 HD1 TYR 45 -0.703 6.814 2.261 211 HE1 TYR 45 HE2 TYR 45 3.844 5.818 0.511 212 HE2 TYR 45 HE1 TYR 45 1.138 8.479 2.542 213 HH TYR 45 HH TYR 45 4.452 7.860 1.342 214 H TYR 46 H TYR 46 -1.403 1.138 0.286 215 HA TYR 46 HA TYR 46 -4.325 1.542 -0.214 216 HB2 TYR 46 HB2 TYR 46 -2.878 -0.894 -1.277 217 HB3 TYR 46 HB3 TYR 46 -4.514 -0.371 -1.613 218 HD1 TYR 46 HD1 TYR 46 -4.503 2.255 -2.561 219 HD2 TYR 46 HD2 TYR 46 -1.457 -0.734 -3.135 220 HE1 TYR 46 HE1 TYR 46 -3.644 3.497 -4.551 221 HE2 TYR 46 HE2 TYR 46 -0.597 0.511 -5.107 222 HH TYR 46 HH TYR 46 -0.859 2.335 -6.460 223 H CYS 47 H CYS 47 -5.665 -0.276 0.618 224 HA CYS 47 HA CYS 47 -4.517 -1.483 3.099 225 HB2 CYS 47 HB2 CYS 47 -6.446 0.014 3.461 226 HB3 CYS 47 HB3 CYS 47 -7.407 -0.977 2.359 227 H MET 48 H MET 48 -3.763 -3.447 2.678 228 HA MET 48 HA MET 48 -4.925 -5.265 0.669 229 HB2 MET 48 HB2 MET 48 -2.835 -5.694 2.835 230 HB3 MET 48 HB3 MET 48 -3.359 -6.951 1.710 231 HG2 MET 48 HG2 MET 48 -2.210 -4.286 0.829 232 HG3 MET 48 HG3 MET 48 -1.251 -5.737 1.101 233 HE1 MET 48 HE1 MET 48 -0.823 -5.721 -2.631 234 HE2 MET 48 HE2 MET 48 -0.736 -4.352 -1.495 235 HE3 MET 48 HE3 MET 48 -0.090 -5.935 -1.025 236 H GLY 49 H GLY 49 -4.670 -5.501 4.238 237 HA2 GLY 49 HA2 GLY 49 -7.300 -6.764 4.574 238 HA3 GLY 49 HA3 GLY 49 -5.953 -7.903 4.625 239 H ASN 50 H ASN 50 -7.677 -5.449 6.304 240 HA ASN 50 HA ASN 50 -7.634 -4.488 8.326 241 HB2 ASN 50 HB2 ASN 50 -6.049 -6.829 9.385 242 HB3 ASN 50 HB3 ASN 50 -7.243 -5.824 10.204 243 HD21 ASN 50 HD21 ASN 50 -6.774 -8.766 8.517 244 HD22 ASN 50 HD22 ASN 50 -8.485 -9.156 8.362 245 H CYS 51 H CYS 51 -5.091 -4.227 6.550 246 HA CYS 51 HA CYS 51 -3.633 -2.404 8.326 247 HB2 CYS 51 HB2 CYS 51 -2.653 -4.827 8.443 248 HB3 CYS 51 HB3 CYS 51 -2.134 -4.559 6.783 249 H CYS 52 H CYS 52 -2.546 -0.775 7.065 250 HA CYS 52 HA CYS 52 -2.596 -1.126 4.131 251 HB2 CYS 52 HB2 CYS 52 -3.313 1.028 3.657 252 HB3 CYS 52 HB3 CYS 52 -4.475 0.364 4.784 253 H LYS 53 H LYS 53 -1.002 -0.331 2.970 254 HA LYS 53 HA LYS 53 1.415 0.847 4.255 255 HB2 LYS 53 HB2 LYS 53 1.020 -2.017 3.761 256 HB3 LYS 53 HB3 LYS 53 2.394 -1.432 2.836 257 HG2 LYS 53 HG2 LYS 53 3.422 -0.566 4.919 258 HG3 LYS 53 HG3 LYS 53 1.982 -1.041 5.824 259 HD2 LYS 53 HD2 LYS 53 3.551 -2.745 6.245 260 HD3 LYS 53 HD3 LYS 53 2.328 -3.411 5.176 261 HE2 LYS 53 HE2 LYS 53 4.437 -4.185 4.474 262 HE3 LYS 53 HE3 LYS 53 3.863 -3.076 3.227 263 HZ1 LYS 53 HZ1 LYS 53 6.266 -2.766 3.918 264 HZ2 LYS 53 HZ2 LYS 53 5.761 -2.275 5.403 265 HZ3 LYS 53 HZ3 LYS 53 5.383 -1.401 4.085 266 H VAL 54 H VAL 54 3.205 0.970 2.725 267 HA VAL 54 HA VAL 54 2.425 2.138 0.148 268 HB VAL 54 HB VAL 54 4.145 3.184 1.554 269 HG11 VAL 54 HG11 VAL 54 5.977 0.849 0.889 270 HG12 VAL 54 HG12 VAL 54 6.392 2.324 1.776 271 HG13 VAL 54 HG13 VAL 54 5.265 1.162 2.488 272 HG21 VAL 54 HG21 VAL 54 5.744 3.677 -0.190 273 HG22 VAL 54 HG22 VAL 54 5.287 2.213 -1.081 274 HG23 VAL 54 HG23 VAL 54 4.121 3.549 -0.882 275 H TYR 55 H TYR 55 2.400 1.186 -1.753 276 HA TYR 55 HA TYR 55 3.710 -1.472 -2.131 277 HB2 TYR 55 HB2 TYR 55 0.827 -0.817 -2.790 278 HB3 TYR 55 HB3 TYR 55 1.657 -2.302 -3.208 279 HD1 TYR 55 HD2 TYR 55 2.942 -3.395 -0.988 280 HD2 TYR 55 HD1 TYR 55 -0.628 -0.992 -0.966 281 HE1 TYR 55 HE2 TYR 55 2.235 -4.404 1.228 282 HE2 TYR 55 HE1 TYR 55 -1.336 -2.080 1.157 283 HH TYR 55 HH TYR 55 -0.787 -3.545 2.835 284 H GLU 56 H GLU 56 5.132 -1.156 -3.653 285 HA GLU 56 HA GLU 56 5.028 0.792 -5.766 286 HB2 GLU 56 HB2 GLU 56 6.659 -1.772 -5.453 287 HB3 GLU 56 HB3 GLU 56 6.963 -0.523 -6.665 288 HG2 GLU 56 HG2 GLU 56 7.511 1.111 -4.941 289 HG3 GLU 56 HG3 GLU 56 7.064 -0.013 -3.657 290 H GLY 57 H GLY 57 4.616 0.572 -7.953 291 HA2 GLY 57 HA2 GLY 57 4.182 -0.752 -9.953 292 HA3 GLY 57 HA3 GLY 57 3.276 -1.913 -8.981 293 H CYS 58 H CYS 58 1.924 -1.250 -11.048 294 HA CYS 58 HA CYS 58 0.327 1.187 -10.840 295 HB2 CYS 58 HB2 CYS 58 -0.194 -1.331 -12.483 296 HB3 CYS 58 HB3 CYS 58 -0.979 0.231 -12.678 297 HG CYS 58 HG CYS 58 2.267 -0.433 -13.003 298 H TYR 59 H TYR 59 -1.764 1.412 -10.169 299 HA TYR 59 HA TYR 59 -3.458 -0.848 -9.455 300 HB2 TYR 59 HB2 TYR 59 -1.929 0.108 -7.378 301 HB3 TYR 59 HB3 TYR 59 -3.325 1.159 -7.254 302 HD1 TYR 59 HD1 TYR 59 -5.682 -0.043 -7.256 303 HD2 TYR 59 HD2 TYR 59 -1.938 -1.942 -6.255 304 HE1 TYR 59 HE1 TYR 59 -6.917 -1.827 -6.032 305 HE2 TYR 59 HE2 TYR 59 -3.177 -3.716 -5.017 306 HH TYR 59 HH TYR 59 -6.754 -3.743 -4.806 307 H THR 60 H THR 60 -5.301 -0.294 -10.493 308 HA THR 60 HA THR 60 -5.923 2.211 -11.569 309 HB THR 60 HB THR 60 -7.963 0.097 -10.784 310 HG1 THR 60 HG1 THR 60 -6.437 0.362 -13.165 311 HG21 THR 60 HG21 THR 60 -9.153 0.875 -12.821 312 HG22 THR 60 HG22 THR 60 -7.956 2.174 -13.024 313 HG23 THR 60 HG23 THR 60 -9.032 2.155 -11.609 314 H GLY 61 H GLY 61 -7.268 0.867 -8.534 315 HA2 GLY 61 HA2 GLY 61 -8.482 3.454 -7.746 316 HA3 GLY 61 HA3 GLY 61 -8.563 1.926 -6.869 317 H GLY 62 H GLY 62 -8.117 4.119 -5.402 318 HA2 GLY 62 HA2 GLY 62 -5.943 3.478 -3.817 319 HA3 GLY 62 HA3 GLY 62 -5.360 4.757 -4.902 320 H TYR 63 H TYR 63 -5.287 5.122 -2.247 321 HA TYR 63 HA TYR 63 -7.506 7.014 -1.567 322 HB2 TYR 63 HB2 TYR 63 -5.390 5.712 0.184 323 HB3 TYR 63 HB3 TYR 63 -6.689 6.749 0.729 324 HD1 TYR 63 HD1 TYR 63 -9.147 6.001 0.141 325 HD2 TYR 63 HD2 TYR 63 -5.719 3.394 0.205 326 HE1 TYR 63 HE1 TYR 63 -10.651 4.044 0.479 327 HE2 TYR 63 HE2 TYR 63 -7.239 1.425 0.578 328 HH TYR 63 HH TYR 63 -10.787 1.767 0.712 329 H SER 64 H SER 64 -4.150 6.991 -2.310 330 HA SER 64 HA SER 64 -2.407 8.379 -2.244 331 HB2 SER 64 HB2 SER 64 -2.658 10.541 -3.044 332 HB3 SER 64 HB3 SER 64 -3.937 9.581 -3.784 333 HG SER 64 HG SER 64 -5.299 10.411 -1.986 334 H ARG 65 H ARG 65 -4.318 8.431 0.464 335 HA ARG 65 HA ARG 65 -2.272 9.929 2.057 336 HB2 ARG 65 HB2 ARG 65 -5.310 10.018 2.285 337 HB3 ARG 65 HB3 ARG 65 -4.241 10.649 3.528 338 HG2 ARG 65 HG2 ARG 65 -4.178 11.622 0.643 339 HG3 ARG 65 HG3 ARG 65 -5.221 12.332 1.861 340 HD2 ARG 65 HD2 ARG 65 -2.290 12.037 2.524 341 HD3 ARG 65 HD3 ARG 65 -2.787 13.271 1.347 342 HE ARG 65 HE ARG 65 -4.430 13.427 3.704 343 HH11 ARG 65 HH11 ARG 65 -1.222 14.307 2.639 344 HH12 ARG 65 HH12 ARG 65 -1.118 15.651 3.744 345 HH21 ARG 65 HH21 ARG 65 -4.250 15.147 5.088 346 HH22 ARG 65 HH22 ARG 65 -2.799 16.101 5.098 347 H MET 66 H MET 66 -1.585 9.058 3.843 348 HA MET 66 HA MET 66 -2.027 6.309 4.508 349 HB2 MET 66 HB2 MET 66 0.050 7.650 4.923 350 HB3 MET 66 HB3 MET 66 -0.798 8.532 6.187 351 HG2 MET 66 HG2 MET 66 0.600 6.794 7.152 352 HG3 MET 66 HG3 MET 66 -1.094 6.473 7.478 353 HE1 MET 66 HE1 MET 66 1.202 5.705 4.264 354 HE2 MET 66 HE2 MET 66 2.185 5.307 5.691 355 HE3 MET 66 HE3 MET 66 1.613 4.015 4.612 356 H GLY 67 H GLY 67 -3.490 9.303 5.732 357 HA2 GLY 67 HA2 GLY 67 -4.860 8.123 8.004 358 HA3 GLY 67 HA3 GLY 67 -5.251 9.660 7.234 359 H GLU 68 H GLU 68 -5.756 8.628 4.616 360 HA GLU 68 HA GLU 68 -8.498 7.688 4.856 361 HB2 GLU 68 HB2 GLU 68 -6.645 8.103 2.499 362 HB3 GLU 68 HB3 GLU 68 -8.276 7.459 2.323 363 HG2 GLU 68 HG2 GLU 68 -7.544 10.175 3.479 364 HG3 GLU 68 HG3 GLU 68 -8.212 9.869 1.877 365 H CYS 69 H CYS 69 -5.449 6.039 3.764 366 HA CYS 69 HA CYS 69 -6.840 3.613 3.147 367 HB2 CYS 69 HB2 CYS 69 -4.794 2.581 2.848 368 HB3 CYS 69 HB3 CYS 69 -4.573 4.238 2.338 369 H ALA 70 H ALA 70 -5.750 4.876 6.183 370 HA ALA 70 HA ALA 70 -6.174 2.452 7.738 371 HB1 ALA 70 HB1 ALA 70 -5.852 5.394 8.508 372 HB2 ALA 70 HB2 ALA 70 -5.859 4.022 9.644 373 HB3 ALA 70 HB3 ALA 70 -4.568 4.175 8.432 374 H ARG 71 H ARG 71 -8.001 5.612 7.683 375 HA ARG 71 HA ARG 71 -10.083 4.543 9.302 376 HB2 ARG 71 HB2 ARG 71 -11.177 6.587 9.117 377 HB3 ARG 71 HB3 ARG 71 -9.463 6.976 8.989 378 HG2 ARG 71 HG2 ARG 71 -9.749 7.107 6.481 379 HG3 ARG 71 HG3 ARG 71 -11.471 6.787 6.689 380 HD2 ARG 71 HD2 ARG 71 -11.283 9.110 6.421 381 HD3 ARG 71 HD3 ARG 71 -11.659 8.841 8.115 382 HE ARG 71 HE ARG 71 -9.080 9.738 6.923 383 HH11 ARG 71 HH11 ARG 71 -10.824 9.191 9.909 384 HH12 ARG 71 HH12 ARG 71 -9.677 10.101 10.852 385 HH21 ARG 71 HH21 ARG 71 -7.685 10.920 8.172 386 HH22 ARG 71 HH22 ARG 71 -7.941 11.036 9.887 387 H ASN 72 H ASN 72 -9.822 4.419 5.820 388 HA ASN 72 HA ASN 72 -12.603 3.535 5.437 389 HB2 ASN 72 HB2 ASN 72 -10.209 3.574 3.555 390 HB3 ASN 72 HB3 ASN 72 -11.857 3.146 3.095 391 HD21 ASN 72 HD21 ASN 72 -9.806 5.609 2.862 392 HD22 ASN 72 HD22 ASN 72 -10.907 6.991 2.924 393 H CYS 73 H CYS 73 -10.012 1.979 6.830 394 HA CYS 73 HA CYS 73 -11.086 -0.726 6.193 395 HB2 CYS 73 HB2 CYS 73 -8.379 0.383 5.960 396 HB3 CYS 73 HB3 CYS 73 -8.405 -0.984 7.048 397 HA PRO 74 HA PRO 74 -11.577 -1.245 10.555 398 HB2 PRO 74 HB2 PRO 74 -11.184 -3.872 11.050 399 HB3 PRO 74 HB3 PRO 74 -12.463 -3.303 9.931 400 HG2 PRO 74 HG2 PRO 74 -9.686 -4.300 9.244 401 HG3 PRO 74 HG3 PRO 74 -11.247 -4.815 8.528 402 HD2 PRO 74 HD2 PRO 74 -9.620 -2.933 7.390 403 HD3 PRO 74 HD3 PRO 74 -11.403 -2.864 7.238 404 H GLY 75 H GLY 75 -8.428 -1.543 9.380 405 HA2 GLY 75 HA2 GLY 75 -6.880 -2.436 11.624 406 HA3 GLY 75 HA3 GLY 75 -6.280 -1.508 10.256 Start of MODEL 7 1 H1 GLY 19 H1 GLY 19 17.516 1.651 16.371 2 H2 GLY 19 H2 GLY 19 17.664 0.108 15.838 3 H3 GLY 19 H3 GLY 19 17.064 1.264 14.843 4 HA2 GLY 19 HA2 GLY 19 15.768 0.304 17.309 5 HA3 GLY 19 HA3 GLY 19 15.118 1.549 16.227 6 H ASP 20 H ASP 20 13.686 -0.717 16.903 7 HA ASP 20 HA ASP 20 13.770 -2.772 14.858 8 HB2 ASP 20 HB2 ASP 20 11.778 -3.595 15.919 9 HB3 ASP 20 HB3 ASP 20 12.929 -3.135 17.161 10 H LYS 21 H LYS 21 11.744 -3.284 13.623 11 HA LYS 21 HA LYS 21 10.491 -0.918 12.283 12 HB2 LYS 21 HB2 LYS 21 11.741 -3.337 10.896 13 HB3 LYS 21 HB3 LYS 21 10.676 -2.161 10.139 14 HG2 LYS 21 HG2 LYS 21 12.693 -1.329 9.488 15 HG3 LYS 21 HG3 LYS 21 12.406 -0.368 10.938 16 HD2 LYS 21 HD2 LYS 21 13.898 -1.995 12.204 17 HD3 LYS 21 HD3 LYS 21 14.208 -2.829 10.677 18 HE2 LYS 21 HE2 LYS 21 15.251 -0.850 9.737 19 HE3 LYS 21 HE3 LYS 21 14.712 0.145 11.098 20 HZ1 LYS 21 HZ1 LYS 21 17.042 -0.511 11.342 21 HZ2 LYS 21 HZ2 LYS 21 16.647 -2.096 11.334 22 HZ3 LYS 21 HZ3 LYS 21 16.140 -1.130 12.562 23 H GLU 22 H GLU 22 8.439 -1.034 12.801 24 HA GLU 22 HA GLU 22 7.000 -3.425 13.529 25 HB2 GLU 22 HB2 GLU 22 6.001 -0.670 12.684 26 HB3 GLU 22 HB3 GLU 22 4.983 -1.958 13.343 27 HG2 GLU 22 HG2 GLU 22 6.359 -1.979 15.422 28 HG3 GLU 22 HG3 GLU 22 7.308 -0.627 14.795 29 H GLU 23 H GLU 23 5.173 -4.389 12.466 30 HA GLU 23 HA GLU 23 4.881 -4.089 9.561 31 HB2 GLU 23 HB2 GLU 23 5.336 -6.411 9.048 32 HB3 GLU 23 HB3 GLU 23 6.753 -5.673 9.777 33 HG2 GLU 23 HG2 GLU 23 6.188 -6.743 11.962 34 HG3 GLU 23 HG3 GLU 23 4.772 -7.491 11.220 35 H CYS 24 H CYS 24 3.262 -5.919 8.788 36 HA CYS 24 HA CYS 24 1.086 -6.439 10.707 37 HB2 CYS 24 HB2 CYS 24 0.607 -4.215 9.645 38 HB3 CYS 24 HB3 CYS 24 0.711 -4.985 8.059 39 H THR 25 H THR 25 -0.306 -8.158 9.967 40 HA THR 25 HA THR 25 0.930 -10.159 8.240 41 HB THR 25 HB THR 25 -0.416 -10.699 10.261 42 HG1 THR 25 HG1 THR 25 -1.366 -12.468 9.287 43 HG21 THR 25 HG21 THR 25 -2.844 -10.795 10.146 44 HG22 THR 25 HG22 THR 25 -2.849 -10.073 8.527 45 HG23 THR 25 HG23 THR 25 -2.328 -9.116 9.930 46 H VAL 26 H VAL 26 -0.388 -11.201 6.502 47 HA VAL 26 HA VAL 26 -2.015 -9.386 4.841 48 HB VAL 26 HB VAL 26 0.359 -10.712 3.540 49 HG11 VAL 26 HG11 VAL 26 -0.055 -9.103 1.747 50 HG12 VAL 26 HG12 VAL 26 -1.513 -10.034 2.083 51 HG13 VAL 26 HG13 VAL 26 -1.376 -8.367 2.684 52 HG21 VAL 26 HG21 VAL 26 0.274 -7.825 4.506 53 HG22 VAL 26 HG22 VAL 26 1.387 -9.092 5.075 54 HG23 VAL 26 HG23 VAL 26 1.496 -8.514 3.416 55 HA PRO 27 HA PRO 27 -3.908 -13.433 4.328 56 HB2 PRO 27 HB2 PRO 27 -5.954 -12.836 2.626 57 HB3 PRO 27 HB3 PRO 27 -5.888 -12.193 4.295 58 HG2 PRO 27 HG2 PRO 27 -4.940 -10.821 1.745 59 HG3 PRO 27 HG3 PRO 27 -6.073 -10.177 2.984 60 HD2 PRO 27 HD2 PRO 27 -3.428 -9.573 3.062 61 HD3 PRO 27 HD3 PRO 27 -4.323 -9.928 4.567 62 H ILE 28 H ILE 28 -4.440 -15.055 2.708 63 HA ILE 28 HA ILE 28 -2.410 -15.528 0.773 64 HB ILE 28 HB ILE 28 -5.161 -16.840 0.918 65 HG12 ILE 28 HG12 ILE 28 -3.543 -18.668 2.096 66 HG13 ILE 28 HG13 ILE 28 -2.676 -17.227 2.597 67 HG21 ILE 28 HG21 ILE 28 -4.009 -18.775 -0.117 68 HG22 ILE 28 HG22 ILE 28 -3.980 -17.371 -1.168 69 HG23 ILE 28 HG23 ILE 28 -2.518 -17.817 -0.251 70 HD11 ILE 28 HD11 ILE 28 -4.762 -16.414 3.731 71 HD12 ILE 28 HD12 ILE 28 -5.635 -17.828 3.104 72 HD13 ILE 28 HD13 ILE 28 -4.321 -18.036 4.275 73 H GLY 29 H GLY 29 -2.294 -15.267 -1.421 74 HA2 GLY 29 HA2 GLY 29 -2.895 -14.661 -3.599 75 HA3 GLY 29 HA3 GLY 29 -4.544 -14.357 -3.064 76 H TRP 30 H TRP 30 -1.777 -12.806 -1.534 77 HA TRP 30 HA TRP 30 -2.823 -10.192 -1.732 78 HB2 TRP 30 HB2 TRP 30 -0.706 -9.541 -0.665 79 HB3 TRP 30 HB3 TRP 30 -1.457 -10.932 0.061 80 HD1 TRP 30 HD1 TRP 30 1.188 -10.791 -2.830 81 HE1 TRP 30 HE1 TRP 30 3.235 -12.152 -2.095 82 HE3 TRP 30 HE3 TRP 30 -0.404 -12.192 1.785 83 HZ2 TRP 30 HZ2 TRP 30 3.968 -13.870 0.101 84 HZ3 TRP 30 HZ3 TRP 30 0.978 -13.729 3.212 85 HH2 TRP 30 HH2 TRP 30 3.162 -14.571 2.366 86 H SER 31 H SER 31 -1.322 -8.375 -2.235 87 HA SER 31 HA SER 31 -0.064 -8.464 -4.950 88 HB2 SER 31 HB2 SER 31 -2.151 -6.454 -4.042 89 HB3 SER 31 HB3 SER 31 -1.130 -6.272 -5.481 90 HG SER 31 HG SER 31 -2.928 -8.432 -4.984 91 H GLU 32 H GLU 32 1.644 -8.690 -3.196 92 HA GLU 32 HA GLU 32 2.580 -6.404 -1.728 93 HB2 GLU 32 HB2 GLU 32 4.582 -7.722 -1.376 94 HB3 GLU 32 HB3 GLU 32 3.166 -8.752 -1.206 95 HG2 GLU 32 HG2 GLU 32 3.539 -9.579 -3.554 96 HG3 GLU 32 HG3 GLU 32 5.014 -8.614 -3.633 97 HA PRO 33 HA PRO 33 4.651 -4.074 -4.906 98 HB2 PRO 33 HB2 PRO 33 6.769 -2.903 -3.592 99 HB3 PRO 33 HB3 PRO 33 5.059 -2.459 -3.334 100 HG2 PRO 33 HG2 PRO 33 6.763 -4.383 -1.712 101 HG3 PRO 33 HG3 PRO 33 5.753 -3.032 -1.104 102 HD2 PRO 33 HD2 PRO 33 4.840 -5.578 -1.112 103 HD3 PRO 33 HD3 PRO 33 3.748 -4.227 -1.526 104 H VAL 34 H VAL 34 6.772 -3.647 -5.942 105 HA VAL 34 HA VAL 34 8.440 -6.114 -6.229 106 HB VAL 34 HB VAL 34 6.707 -5.685 -7.963 107 HG11 VAL 34 HG11 VAL 34 6.876 -3.228 -8.148 108 HG12 VAL 34 HG12 VAL 34 8.487 -3.398 -8.879 109 HG13 VAL 34 HG13 VAL 34 7.059 -4.044 -9.707 110 HG21 VAL 34 HG21 VAL 34 8.020 -6.352 -9.834 111 HG22 VAL 34 HG22 VAL 34 9.514 -5.752 -9.101 112 HG23 VAL 34 HG23 VAL 34 8.658 -7.134 -8.380 113 H LYS 35 H LYS 35 8.866 -3.669 -4.624 114 HA LYS 35 HA LYS 35 10.727 -1.861 -5.680 115 HB2 LYS 35 HB2 LYS 35 11.057 -1.121 -3.414 116 HB3 LYS 35 HB3 LYS 35 9.371 -1.578 -3.621 117 HG2 LYS 35 HG2 LYS 35 9.853 -3.778 -2.500 118 HG3 LYS 35 HG3 LYS 35 11.523 -3.236 -2.240 119 HD2 LYS 35 HD2 LYS 35 10.636 -1.271 -0.934 120 HD3 LYS 35 HD3 LYS 35 9.001 -1.894 -1.174 121 HE2 LYS 35 HE2 LYS 35 9.655 -2.563 1.008 122 HE3 LYS 35 HE3 LYS 35 9.675 -4.015 0.003 123 HZ1 LYS 35 HZ1 LYS 35 12.075 -2.418 0.750 124 HZ2 LYS 35 HZ2 LYS 35 12.105 -3.791 -0.140 125 HZ3 LYS 35 HZ3 LYS 35 11.653 -3.841 1.423 126 H GLY 36 H GLY 36 12.872 -1.397 -4.902 127 HA2 GLY 36 HA2 GLY 36 14.865 -2.605 -3.745 128 HA3 GLY 36 HA3 GLY 36 14.757 -3.714 -5.109 129 H LEU 37 H LEU 37 14.100 -1.589 -7.036 130 HA LEU 37 HA LEU 37 16.697 -0.090 -7.230 131 HB2 LEU 37 HB2 LEU 37 15.192 -1.560 -9.439 132 HB3 LEU 37 HB3 LEU 37 16.540 -0.468 -9.680 133 HG LEU 37 HG LEU 37 17.776 -2.101 -7.949 134 HD11 LEU 37 HD11 LEU 37 15.834 -3.654 -7.652 135 HD12 LEU 37 HD12 LEU 37 17.204 -4.453 -8.421 136 HD13 LEU 37 HD13 LEU 37 15.813 -3.942 -9.401 137 HD21 LEU 37 HD21 LEU 37 17.365 -2.694 -10.907 138 HD22 LEU 37 HD22 LEU 37 18.705 -3.289 -9.898 139 HD23 LEU 37 HD23 LEU 37 18.543 -1.557 -10.215 140 H CYS 38 H CYS 38 13.531 0.533 -6.753 141 HA CYS 38 HA CYS 38 12.852 2.465 -8.749 142 HB2 CYS 38 HB2 CYS 38 11.268 1.294 -7.170 143 HB3 CYS 38 HB3 CYS 38 11.896 2.310 -5.855 144 HG CYS 38 HG CYS 38 10.366 3.163 -8.685 145 H LYS 39 H LYS 39 13.198 4.599 -8.934 146 HA LYS 39 HA LYS 39 14.948 6.046 -6.958 147 HB2 LYS 39 HB2 LYS 39 14.741 6.293 -9.968 148 HB3 LYS 39 HB3 LYS 39 15.600 7.437 -8.926 149 HG2 LYS 39 HG2 LYS 39 16.955 5.526 -8.002 150 HG3 LYS 39 HG3 LYS 39 16.221 4.468 -9.228 151 HD2 LYS 39 HD2 LYS 39 17.070 5.941 -11.014 152 HD3 LYS 39 HD3 LYS 39 17.785 7.023 -9.810 153 HE2 LYS 39 HE2 LYS 39 18.530 4.079 -10.138 154 HE3 LYS 39 HE3 LYS 39 19.384 5.400 -10.940 155 HZ1 LYS 39 HZ1 LYS 39 20.500 4.795 -8.888 156 HZ2 LYS 39 HZ2 LYS 39 19.164 5.072 -7.994 157 HZ3 LYS 39 HZ3 LYS 39 19.923 6.312 -8.745 158 H ALA 40 H ALA 40 11.752 6.042 -7.995 159 HA ALA 40 HA ALA 40 11.229 8.911 -7.812 160 HB1 ALA 40 HB1 ALA 40 8.883 8.231 -7.906 161 HB2 ALA 40 HB2 ALA 40 9.807 7.356 -9.132 162 HB3 ALA 40 HB3 ALA 40 9.327 6.531 -7.629 163 H ARG 41 H ARG 41 9.610 9.674 -6.172 164 HA ARG 41 HA ARG 41 10.286 8.783 -3.387 165 HB2 ARG 41 HB2 ARG 41 10.440 11.100 -2.748 166 HB3 ARG 41 HB3 ARG 41 11.557 10.745 -4.057 167 HG2 ARG 41 HG2 ARG 41 9.956 11.780 -5.689 168 HG3 ARG 41 HG3 ARG 41 8.883 12.204 -4.349 169 HD2 ARG 41 HD2 ARG 41 11.777 13.113 -4.649 170 HD3 ARG 41 HD3 ARG 41 10.365 14.069 -5.129 171 HE ARG 41 HE ARG 41 9.848 13.487 -2.483 172 HH11 ARG 41 HH11 ARG 41 12.543 15.075 -4.043 173 HH12 ARG 41 HH12 ARG 41 12.907 16.043 -2.638 174 HH21 ARG 41 HH21 ARG 41 10.349 14.741 -0.732 175 HH22 ARG 41 HH22 ARG 41 11.681 15.855 -0.817 176 H PHE 42 H PHE 42 7.803 8.508 -5.244 177 HA PHE 42 HA PHE 42 5.726 9.922 -3.723 178 HB2 PHE 42 HB2 PHE 42 5.286 8.039 -6.027 179 HB3 PHE 42 HB3 PHE 42 4.283 9.377 -5.473 180 HD1 PHE 42 HD1 PHE 42 6.143 11.667 -5.326 181 HD2 PHE 42 HD2 PHE 42 6.019 8.435 -8.189 182 HE1 PHE 42 HE1 PHE 42 7.356 13.069 -6.974 183 HE2 PHE 42 HE2 PHE 42 7.229 9.843 -9.827 184 HZ PHE 42 HZ PHE 42 7.922 12.145 -9.217 185 H THR 43 H THR 43 6.217 8.730 -1.768 186 HA THR 43 HA THR 43 5.671 5.955 -1.416 187 HB THR 43 HB THR 43 4.919 7.541 0.969 188 HG1 THR 43 HG1 THR 43 6.436 9.004 0.495 189 HG21 THR 43 HG21 THR 43 6.515 6.038 2.005 190 HG22 THR 43 HG22 THR 43 7.142 5.534 0.415 191 HG23 THR 43 HG23 THR 43 5.478 5.133 0.880 192 H ARG 44 H ARG 44 3.847 4.750 -1.136 193 HA ARG 44 HA ARG 44 1.210 6.126 -0.937 194 HB2 ARG 44 HB2 ARG 44 2.293 5.323 -3.302 195 HB3 ARG 44 HB3 ARG 44 1.661 3.787 -2.772 196 HG2 ARG 44 HG2 ARG 44 0.033 4.678 -4.108 197 HG3 ARG 44 HG3 ARG 44 -0.623 5.025 -2.507 198 HD2 ARG 44 HD2 ARG 44 -0.058 7.367 -2.743 199 HD3 ARG 44 HD3 ARG 44 1.059 7.023 -4.079 200 HE ARG 44 HE ARG 44 -1.622 6.166 -4.701 201 HH11 ARG 44 HH11 ARG 44 0.407 9.000 -4.812 202 HH12 ARG 44 HH12 ARG 44 -0.397 9.645 -6.219 203 HH21 ARG 44 HH21 ARG 44 -2.677 7.070 -6.428 204 HH22 ARG 44 HH22 ARG 44 -2.119 8.578 -7.085 205 H TYR 45 H TYR 45 -0.534 4.805 -0.274 206 HA TYR 45 HA TYR 45 0.227 2.505 1.479 207 HB2 TYR 45 HB2 TYR 45 -1.731 4.632 2.318 208 HB3 TYR 45 HB3 TYR 45 -0.853 3.487 3.314 209 HD1 TYR 45 HD2 TYR 45 1.970 3.890 2.802 210 HD2 TYR 45 HD1 TYR 45 -1.186 6.825 2.770 211 HE1 TYR 45 HE2 TYR 45 3.619 5.660 3.334 212 HE2 TYR 45 HE1 TYR 45 0.483 8.609 3.270 213 HH TYR 45 HH TYR 45 3.948 7.880 3.787 214 H TYR 46 H TYR 46 -1.095 0.802 1.384 215 HA TYR 46 HA TYR 46 -3.787 1.026 0.065 216 HB2 TYR 46 HB2 TYR 46 -1.697 -1.059 -0.624 217 HB3 TYR 46 HB3 TYR 46 -3.267 -0.857 -1.356 218 HD1 TYR 46 HD2 TYR 46 0.180 0.516 -1.137 219 HD2 TYR 46 HD1 TYR 46 -3.647 0.796 -3.106 220 HE1 TYR 46 HE2 TYR 46 1.271 1.589 -3.082 221 HE2 TYR 46 HE1 TYR 46 -2.563 2.022 -4.990 222 HH TYR 46 HH TYR 46 0.980 2.407 -5.218 223 H CYS 47 H CYS 47 -5.355 -0.194 1.049 224 HA CYS 47 HA CYS 47 -4.688 -1.718 3.423 225 HB2 CYS 47 HB2 CYS 47 -6.759 -0.367 3.232 226 HB3 CYS 47 HB3 CYS 47 -7.347 -1.498 2.004 227 H MET 48 H MET 48 -4.275 -3.819 3.650 228 HA MET 48 HA MET 48 -5.527 -5.774 1.798 229 HB2 MET 48 HB2 MET 48 -2.568 -5.818 2.503 230 HB3 MET 48 HB3 MET 48 -3.488 -7.218 1.941 231 HG2 MET 48 HG2 MET 48 -4.213 -5.663 -0.029 232 HG3 MET 48 HG3 MET 48 -2.799 -4.712 0.416 233 HE1 MET 48 HE1 MET 48 0.153 -7.197 -0.356 234 HE2 MET 48 HE2 MET 48 -0.278 -5.486 -0.154 235 HE3 MET 48 HE3 MET 48 -0.551 -6.636 1.175 236 H GLY 49 H GLY 49 -3.310 -6.268 4.587 237 HA2 GLY 49 HA2 GLY 49 -5.142 -8.326 5.589 238 HA3 GLY 49 HA3 GLY 49 -3.526 -7.958 6.184 239 H ASN 50 H ASN 50 -6.735 -6.411 6.006 240 HA ASN 50 HA ASN 50 -7.937 -5.093 7.378 241 HB2 ASN 50 HB2 ASN 50 -6.626 -6.505 9.719 242 HB3 ASN 50 HB3 ASN 50 -8.210 -5.749 9.654 243 HD21 ASN 50 HD21 ASN 50 -9.660 -6.796 7.690 244 HD22 ASN 50 HD22 ASN 50 -9.603 -8.551 7.754 245 H CYS 51 H CYS 51 -5.022 -4.386 6.759 246 HA CYS 51 HA CYS 51 -4.843 -1.855 8.269 247 HB2 CYS 51 HB2 CYS 51 -2.442 -2.287 8.712 248 HB3 CYS 51 HB3 CYS 51 -3.452 -3.512 9.477 249 H CYS 52 H CYS 52 -3.431 -0.313 7.098 250 HA CYS 52 HA CYS 52 -2.800 -1.091 4.296 251 HB2 CYS 52 HB2 CYS 52 -3.057 1.229 3.615 252 HB3 CYS 52 HB3 CYS 52 -4.555 0.441 4.077 253 H LYS 53 H LYS 53 -0.851 -1.875 4.752 254 HA LYS 53 HA LYS 53 1.256 -0.274 5.990 255 HB2 LYS 53 HB2 LYS 53 0.990 -3.003 4.965 256 HB3 LYS 53 HB3 LYS 53 2.425 -2.246 4.279 257 HG2 LYS 53 HG2 LYS 53 3.144 -1.575 6.602 258 HG3 LYS 53 HG3 LYS 53 1.734 -2.425 7.235 259 HD2 LYS 53 HD2 LYS 53 3.569 -3.880 7.521 260 HD3 LYS 53 HD3 LYS 53 2.537 -4.542 6.257 261 HE2 LYS 53 HE2 LYS 53 4.743 -4.855 5.550 262 HE3 LYS 53 HE3 LYS 53 4.115 -3.559 4.536 263 HZ1 LYS 53 HZ1 LYS 53 5.898 -3.191 6.901 264 HZ2 LYS 53 HZ2 LYS 53 5.319 -1.970 5.978 265 HZ3 LYS 53 HZ3 LYS 53 6.353 -3.058 5.344 266 H VAL 54 H VAL 54 3.212 0.267 4.870 267 HA VAL 54 HA VAL 54 2.704 1.853 2.443 268 HB VAL 54 HB VAL 54 3.899 2.885 4.300 269 HG11 VAL 54 HG11 VAL 54 5.116 0.936 5.250 270 HG12 VAL 54 HG12 VAL 54 6.189 0.936 3.829 271 HG13 VAL 54 HG13 VAL 54 6.171 2.317 4.936 272 HG21 VAL 54 HG21 VAL 54 4.342 3.568 1.966 273 HG22 VAL 54 HG22 VAL 54 5.708 3.871 3.063 274 HG23 VAL 54 HG23 VAL 54 5.768 2.505 1.932 275 H TYR 55 H TYR 55 3.249 1.425 0.487 276 HA TYR 55 HA TYR 55 5.093 -0.828 -0.143 277 HB2 TYR 55 HB2 TYR 55 2.405 -0.366 -1.483 278 HB3 TYR 55 HB3 TYR 55 3.541 -1.635 -1.863 279 HD1 TYR 55 HD2 TYR 55 4.234 -2.653 0.930 280 HD2 TYR 55 HD1 TYR 55 0.487 -1.587 -0.889 281 HE1 TYR 55 HE2 TYR 55 3.041 -4.166 2.494 282 HE2 TYR 55 HE1 TYR 55 -0.719 -3.041 0.735 283 HH TYR 55 HH TYR 55 1.018 -4.988 3.178 284 H GLU 56 H GLU 56 6.055 -0.716 -2.214 285 HA GLU 56 HA GLU 56 6.114 1.989 -3.504 286 HB2 GLU 56 HB2 GLU 56 8.463 0.302 -2.573 287 HB3 GLU 56 HB3 GLU 56 8.590 1.702 -3.649 288 HG2 GLU 56 HG2 GLU 56 7.594 3.143 -1.888 289 HG3 GLU 56 HG3 GLU 56 7.494 1.754 -0.802 290 H GLY 57 H GLY 57 4.866 1.250 -5.245 291 HA2 GLY 57 HA2 GLY 57 6.205 0.266 -7.515 292 HA3 GLY 57 HA3 GLY 57 5.358 -1.108 -6.786 293 H CYS 58 H CYS 58 4.555 -0.569 -9.246 294 HA CYS 58 HA CYS 58 2.507 1.408 -9.556 295 HB2 CYS 58 HB2 CYS 58 2.726 -1.223 -11.073 296 HB3 CYS 58 HB3 CYS 58 1.964 0.268 -11.613 297 HG CYS 58 HG CYS 58 4.149 1.751 -11.607 298 H TYR 59 H TYR 59 0.333 1.339 -9.326 299 HA TYR 59 HA TYR 59 -1.144 -1.145 -8.889 300 HB2 TYR 59 HB2 TYR 59 -0.202 0.094 -6.622 301 HB3 TYR 59 HB3 TYR 59 -1.740 0.903 -6.812 302 HD1 TYR 59 HD2 TYR 59 -3.571 -1.269 -7.707 303 HD2 TYR 59 HD1 TYR 59 -0.359 -1.334 -4.813 304 HE1 TYR 59 HE2 TYR 59 -4.684 -3.130 -6.512 305 HE2 TYR 59 HE1 TYR 59 -1.484 -3.212 -3.630 306 HH TYR 59 HH TYR 59 -4.605 -4.569 -4.747 307 H THR 60 H THR 60 -2.794 -0.908 -10.276 308 HA THR 60 HA THR 60 -3.670 1.424 -11.535 309 HB THR 60 HB THR 60 -5.426 -0.998 -11.003 310 HG1 THR 60 HG1 THR 60 -4.442 -1.825 -12.875 311 HG21 THR 60 HG21 THR 60 -6.598 0.825 -12.199 312 HG22 THR 60 HG22 THR 60 -6.281 -0.528 -13.289 313 HG23 THR 60 HG23 THR 60 -5.264 0.927 -13.370 314 H GLY 61 H GLY 61 -4.927 0.061 -8.527 315 HA2 GLY 61 HA2 GLY 61 -6.909 2.264 -8.147 316 HA3 GLY 61 HA3 GLY 61 -6.849 0.740 -7.264 317 H GLY 62 H GLY 62 -7.079 2.183 -5.411 318 HA2 GLY 62 HA2 GLY 62 -5.594 2.226 -3.421 319 HA3 GLY 62 HA3 GLY 62 -4.468 3.220 -4.344 320 H TYR 63 H TYR 63 -5.137 4.114 -1.980 321 HA TYR 63 HA TYR 63 -7.387 6.061 -2.197 322 HB2 TYR 63 HB2 TYR 63 -5.805 5.140 0.221 323 HB3 TYR 63 HB3 TYR 63 -7.231 6.160 0.239 324 HD1 TYR 63 HD2 TYR 63 -9.471 5.256 -0.405 325 HD2 TYR 63 HD1 TYR 63 -6.006 2.719 0.021 326 HE1 TYR 63 HE2 TYR 63 -10.950 3.262 -0.277 327 HE2 TYR 63 HE1 TYR 63 -7.507 0.719 0.180 328 HH TYR 63 HH TYR 63 -11.052 0.973 -0.118 329 H SER 64 H SER 64 -3.961 6.078 -2.203 330 HA SER 64 HA SER 64 -2.315 7.616 -2.111 331 HB2 SER 64 HB2 SER 64 -3.865 8.647 -3.838 332 HB3 SER 64 HB3 SER 64 -4.359 9.792 -2.576 333 HG SER 64 HG SER 64 -2.631 10.599 -3.843 334 H ARG 65 H ARG 65 -4.790 7.956 0.221 335 HA ARG 65 HA ARG 65 -3.040 9.589 2.035 336 HB2 ARG 65 HB2 ARG 65 -6.080 9.457 1.856 337 HB3 ARG 65 HB3 ARG 65 -5.195 10.342 3.087 338 HG2 ARG 65 HG2 ARG 65 -5.096 10.931 0.094 339 HG3 ARG 65 HG3 ARG 65 -6.065 11.787 1.299 340 HD2 ARG 65 HD2 ARG 65 -3.964 12.382 2.528 341 HD3 ARG 65 HD3 ARG 65 -3.026 11.651 1.213 342 HE ARG 65 HE ARG 65 -4.893 13.527 0.110 343 HH11 ARG 65 HH11 ARG 65 -1.895 13.618 1.897 344 HH12 ARG 65 HH12 ARG 65 -1.461 15.186 1.270 345 HH21 ARG 65 HH21 ARG 65 -4.306 15.504 -0.652 346 HH22 ARG 65 HH22 ARG 65 -2.809 16.225 -0.144 347 H MET 66 H MET 66 -2.587 8.901 3.940 348 HA MET 66 HA MET 66 -2.953 6.240 4.850 349 HB2 MET 66 HB2 MET 66 -1.135 7.851 5.481 350 HB3 MET 66 HB3 MET 66 -2.295 8.740 6.457 351 HG2 MET 66 HG2 MET 66 -0.984 7.264 7.875 352 HG3 MET 66 HG3 MET 66 -2.672 6.783 7.880 353 HE1 MET 66 HE1 MET 66 1.005 5.740 7.223 354 HE2 MET 66 HE2 MET 66 0.858 4.412 6.050 355 HE3 MET 66 HE3 MET 66 0.487 6.077 5.558 356 H GLY 67 H GLY 67 -4.795 9.208 5.580 357 HA2 GLY 67 HA2 GLY 67 -6.476 8.026 7.625 358 HA3 GLY 67 HA3 GLY 67 -6.765 9.546 6.777 359 H GLU 68 H GLU 68 -6.742 8.188 4.105 360 HA GLU 68 HA GLU 68 -9.560 7.324 4.100 361 HB2 GLU 68 HB2 GLU 68 -7.622 7.789 1.822 362 HB3 GLU 68 HB3 GLU 68 -9.292 7.232 1.641 363 HG2 GLU 68 HG2 GLU 68 -10.029 9.281 2.960 364 HG3 GLU 68 HG3 GLU 68 -8.372 9.872 2.839 365 H CYS 69 H CYS 69 -6.370 5.792 3.383 366 HA CYS 69 HA CYS 69 -7.542 3.253 2.684 367 HB2 CYS 69 HB2 CYS 69 -5.375 2.367 2.734 368 HB3 CYS 69 HB3 CYS 69 -5.252 3.993 2.097 369 H ALA 70 H ALA 70 -6.949 4.742 5.760 370 HA ALA 70 HA ALA 70 -7.414 2.377 7.390 371 HB1 ALA 70 HB1 ALA 70 -7.562 4.061 9.216 372 HB2 ALA 70 HB2 ALA 70 -6.106 4.278 8.223 373 HB3 ALA 70 HB3 ALA 70 -7.488 5.370 8.014 374 H ARG 71 H ARG 71 -9.465 5.325 6.858 375 HA ARG 71 HA ARG 71 -11.695 4.227 8.203 376 HB2 ARG 71 HB2 ARG 71 -12.919 6.134 7.585 377 HB3 ARG 71 HB3 ARG 71 -11.244 6.654 7.728 378 HG2 ARG 71 HG2 ARG 71 -11.106 6.360 5.161 379 HG3 ARG 71 HG3 ARG 71 -12.852 6.138 5.180 380 HD2 ARG 71 HD2 ARG 71 -12.384 8.416 4.605 381 HD3 ARG 71 HD3 ARG 71 -13.127 8.380 6.214 382 HE ARG 71 HE ARG 71 -10.307 8.311 6.560 383 HH11 ARG 71 HH11 ARG 71 -12.572 10.635 5.256 384 HH12 ARG 71 HH12 ARG 71 -11.610 11.997 5.760 385 HH21 ARG 71 HH21 ARG 71 -9.226 10.069 7.330 386 HH22 ARG 71 HH22 ARG 71 -9.731 11.672 6.877 387 H ASN 72 H ASN 72 -10.902 3.782 4.836 388 HA ASN 72 HA ASN 72 -13.509 2.600 4.133 389 HB2 ASN 72 HB2 ASN 72 -10.836 2.810 2.687 390 HB3 ASN 72 HB3 ASN 72 -12.228 1.955 2.029 391 HD21 ASN 72 HD21 ASN 72 -10.871 5.092 2.596 392 HD22 ASN 72 HD22 ASN 72 -12.193 5.982 1.817 393 H CYS 73 H CYS 73 -10.956 1.432 5.988 394 HA CYS 73 HA CYS 73 -11.663 -1.416 5.459 395 HB2 CYS 73 HB2 CYS 73 -9.084 0.009 5.449 396 HB3 CYS 73 HB3 CYS 73 -9.076 -1.355 6.538 397 HA PRO 74 HA PRO 74 -12.600 -1.850 9.725 398 HB2 PRO 74 HB2 PRO 74 -11.697 -4.309 10.479 399 HB3 PRO 74 HB3 PRO 74 -12.976 -4.074 9.249 400 HG2 PRO 74 HG2 PRO 74 -10.010 -4.503 8.788 401 HG3 PRO 74 HG3 PRO 74 -11.383 -5.385 8.036 402 HD2 PRO 74 HD2 PRO 74 -10.152 -3.319 6.791 403 HD3 PRO 74 HD3 PRO 74 -11.920 -3.544 6.659 404 H GLY 75 H GLY 75 -9.330 -1.503 8.995 405 HA2 GLY 75 HA2 GLY 75 -7.879 -1.955 11.369 406 HA3 GLY 75 HA3 GLY 75 -7.440 -0.793 10.127 Start of MODEL 8 1 H1 GLY 19 H1 GLY 19 -0.254 1.455 20.432 2 H2 GLY 19 H2 GLY 19 0.957 2.545 20.277 3 H3 GLY 19 H3 GLY 19 -0.255 2.503 19.174 4 HA2 GLY 19 HA2 GLY 19 1.727 0.352 19.609 5 HA3 GLY 19 HA3 GLY 19 0.404 0.308 18.432 6 H ASP 20 H ASP 20 3.477 1.865 19.267 7 HA ASP 20 HA ASP 20 3.498 3.823 17.213 8 HB2 ASP 20 HB2 ASP 20 5.721 2.565 18.861 9 HB3 ASP 20 HB3 ASP 20 5.949 3.963 17.813 10 H LYS 21 H LYS 21 4.423 0.478 17.003 11 HA LYS 21 HA LYS 21 5.382 0.840 14.179 12 HB2 LYS 21 HB2 LYS 21 6.555 -1.037 16.273 13 HB3 LYS 21 HB3 LYS 21 6.931 -1.069 14.556 14 HG2 LYS 21 HG2 LYS 21 8.655 0.246 15.086 15 HG3 LYS 21 HG3 LYS 21 7.469 1.529 14.960 16 HD2 LYS 21 HD2 LYS 21 8.653 1.960 16.950 17 HD3 LYS 21 HD3 LYS 21 7.124 1.265 17.509 18 HE2 LYS 21 HE2 LYS 21 8.224 -0.948 17.769 19 HE3 LYS 21 HE3 LYS 21 9.733 -0.278 17.138 20 HZ1 LYS 21 HZ1 LYS 21 9.800 1.219 19.061 21 HZ2 LYS 21 HZ2 LYS 21 9.747 -0.332 19.560 22 HZ3 LYS 21 HZ3 LYS 21 8.408 0.595 19.653 23 H GLU 22 H GLU 22 2.683 0.194 15.229 24 HA GLU 22 HA GLU 22 1.945 -2.503 14.788 25 HB2 GLU 22 HB2 GLU 22 0.651 -0.815 16.019 26 HB3 GLU 22 HB3 GLU 22 0.477 0.152 14.562 27 HG2 GLU 22 HG2 GLU 22 -1.564 -0.995 15.017 28 HG3 GLU 22 HG3 GLU 22 -0.868 -1.580 13.509 29 H GLU 23 H GLU 23 1.959 -3.666 12.957 30 HA GLU 23 HA GLU 23 0.915 -2.563 10.458 31 HB2 GLU 23 HB2 GLU 23 2.717 -3.312 9.048 32 HB3 GLU 23 HB3 GLU 23 3.347 -2.167 10.224 33 HG2 GLU 23 HG2 GLU 23 4.281 -4.034 11.569 34 HG3 GLU 23 HG3 GLU 23 3.608 -5.203 10.430 35 H CYS 24 H CYS 24 0.728 -4.418 8.767 36 HA CYS 24 HA CYS 24 0.040 -7.008 10.053 37 HB2 CYS 24 HB2 CYS 24 -1.989 -7.092 8.874 38 HB3 CYS 24 HB3 CYS 24 -1.954 -5.536 9.677 39 H THR 25 H THR 25 -0.333 -8.761 8.324 40 HA THR 25 HA THR 25 1.868 -8.734 6.330 41 HB THR 25 HB THR 25 1.241 -11.161 6.075 42 HG1 THR 25 HG1 THR 25 -0.844 -11.187 6.853 43 HG21 THR 25 HG21 THR 25 1.924 -10.287 8.915 44 HG22 THR 25 HG22 THR 25 3.078 -10.439 7.571 45 HG23 THR 25 HG23 THR 25 2.240 -11.874 8.186 46 H VAL 26 H VAL 26 1.450 -9.593 4.166 47 HA VAL 26 HA VAL 26 -0.744 -8.272 2.851 48 HB VAL 26 HB VAL 26 0.023 -9.401 0.798 49 HG11 VAL 26 HG11 VAL 26 2.384 -8.322 2.378 50 HG12 VAL 26 HG12 VAL 26 2.146 -8.313 0.619 51 HG13 VAL 26 HG13 VAL 26 1.115 -7.318 1.652 52 HG21 VAL 26 HG21 VAL 26 2.084 -10.825 2.530 53 HG22 VAL 26 HG22 VAL 26 0.725 -11.592 1.675 54 HG23 VAL 26 HG23 VAL 26 2.014 -10.807 0.757 55 HA PRO 27 HA PRO 27 -3.931 -11.432 2.857 56 HB2 PRO 27 HB2 PRO 27 -5.055 -11.116 0.339 57 HB3 PRO 27 HB3 PRO 27 -5.343 -10.022 1.724 58 HG2 PRO 27 HG2 PRO 27 -3.329 -9.666 -0.530 59 HG3 PRO 27 HG3 PRO 27 -4.503 -8.473 0.109 60 HD2 PRO 27 HD2 PRO 27 -1.945 -8.464 0.905 61 HD3 PRO 27 HD3 PRO 27 -3.244 -8.202 2.106 62 H ILE 28 H ILE 28 -4.467 -13.487 1.974 63 HA ILE 28 HA ILE 28 -2.252 -15.024 1.032 64 HB ILE 28 HB ILE 28 -3.871 -16.879 0.772 65 HG12 ILE 28 HG12 ILE 28 -6.002 -14.943 1.793 66 HG13 ILE 28 HG13 ILE 28 -5.875 -15.481 0.118 67 HG21 ILE 28 HG21 ILE 28 -2.697 -16.328 2.902 68 HG22 ILE 28 HG22 ILE 28 -4.110 -15.384 3.421 69 HG23 ILE 28 HG23 ILE 28 -4.241 -17.135 3.163 70 HD11 ILE 28 HD11 ILE 28 -7.555 -16.799 1.229 71 HD12 ILE 28 HD12 ILE 28 -6.170 -17.845 0.854 72 HD13 ILE 28 HD13 ILE 28 -6.435 -17.263 2.518 73 H GLY 29 H GLY 29 -1.760 -15.988 -0.875 74 HA2 GLY 29 HA2 GLY 29 -1.633 -16.362 -3.142 75 HA3 GLY 29 HA3 GLY 29 -3.270 -15.748 -3.322 76 H TRP 30 H TRP 30 -1.777 -13.161 -1.883 77 HA TRP 30 HA TRP 30 -1.384 -11.745 -4.391 78 HB2 TRP 30 HB2 TRP 30 -2.286 -11.052 -1.943 79 HB3 TRP 30 HB3 TRP 30 -0.615 -10.555 -1.751 80 HD1 TRP 30 HD1 TRP 30 -3.783 -9.900 -3.798 81 HE1 TRP 30 HE1 TRP 30 -3.682 -7.557 -4.871 82 HE3 TRP 30 HE3 TRP 30 0.969 -8.629 -2.482 83 HZ2 TRP 30 HZ2 TRP 30 -1.755 -5.434 -5.168 84 HZ3 TRP 30 HZ3 TRP 30 1.957 -6.444 -3.222 85 HH2 TRP 30 HH2 TRP 30 0.596 -4.849 -4.549 86 H SER 31 H SER 31 0.632 -10.228 -4.490 87 HA SER 31 HA SER 31 3.131 -11.824 -4.033 88 HB2 SER 31 HB2 SER 31 2.224 -12.081 -6.334 89 HB3 SER 31 HB3 SER 31 2.454 -10.339 -6.584 90 HG SER 31 HG SER 31 4.253 -11.615 -7.302 91 H GLU 32 H GLU 32 3.878 -10.660 -2.380 92 HA GLU 32 HA GLU 32 3.796 -7.843 -2.072 93 HB2 GLU 32 HB2 GLU 32 5.194 -8.180 -0.144 94 HB3 GLU 32 HB3 GLU 32 4.036 -9.499 -0.251 95 HG2 GLU 32 HG2 GLU 32 5.852 -10.923 -1.300 96 HG3 GLU 32 HG3 GLU 32 6.992 -9.609 -0.983 97 HA PRO 33 HA PRO 33 7.216 -6.362 -4.479 98 HB2 PRO 33 HB2 PRO 33 7.833 -3.980 -3.321 99 HB3 PRO 33 HB3 PRO 33 6.270 -4.288 -4.128 100 HG2 PRO 33 HG2 PRO 33 6.878 -4.480 -1.155 101 HG3 PRO 33 HG3 PRO 33 5.549 -3.588 -1.957 102 HD2 PRO 33 HD2 PRO 33 5.196 -6.090 -0.936 103 HD3 PRO 33 HD3 PRO 33 4.384 -5.588 -2.448 104 H VAL 34 H VAL 34 8.615 -8.115 -4.001 105 HA VAL 34 HA VAL 34 10.430 -8.190 -1.777 106 HB VAL 34 HB VAL 34 9.719 -10.140 -3.102 107 HG11 VAL 34 HG11 VAL 34 11.724 -9.256 -5.216 108 HG12 VAL 34 HG12 VAL 34 10.779 -10.753 -5.189 109 HG13 VAL 34 HG13 VAL 34 9.954 -9.206 -5.404 110 HG21 VAL 34 HG21 VAL 34 11.793 -11.368 -3.000 111 HG22 VAL 34 HG22 VAL 34 12.744 -9.873 -3.005 112 HG23 VAL 34 HG23 VAL 34 11.696 -10.260 -1.622 113 H LYS 35 H LYS 35 10.682 -6.622 -4.871 114 HA LYS 35 HA LYS 35 13.551 -6.014 -4.705 115 HB2 LYS 35 HB2 LYS 35 11.318 -5.179 -6.593 116 HB3 LYS 35 HB3 LYS 35 12.963 -4.554 -6.748 117 HG2 LYS 35 HG2 LYS 35 12.257 -7.521 -6.826 118 HG3 LYS 35 HG3 LYS 35 12.407 -6.491 -8.249 119 HD2 LYS 35 HD2 LYS 35 14.767 -6.018 -7.714 120 HD3 LYS 35 HD3 LYS 35 14.660 -7.035 -6.260 121 HE2 LYS 35 HE2 LYS 35 14.090 -8.996 -7.649 122 HE3 LYS 35 HE3 LYS 35 14.176 -8.002 -9.109 123 HZ1 LYS 35 HZ1 LYS 35 16.249 -9.218 -8.723 124 HZ2 LYS 35 HZ2 LYS 35 16.457 -8.513 -7.267 125 HZ3 LYS 35 HZ3 LYS 35 16.532 -7.615 -8.632 126 H GLY 36 H GLY 36 10.797 -3.792 -4.873 127 HA2 GLY 36 HA2 GLY 36 10.438 -1.678 -3.983 128 HA3 GLY 36 HA3 GLY 36 11.305 -2.259 -2.567 129 H LEU 37 H LEU 37 12.432 -1.540 -5.897 130 HA LEU 37 HA LEU 37 14.682 0.048 -4.762 131 HB2 LEU 37 HB2 LEU 37 15.232 -2.204 -5.699 132 HB3 LEU 37 HB3 LEU 37 14.622 -1.666 -7.262 133 HG LEU 37 HG LEU 37 16.381 0.204 -7.188 134 HD11 LEU 37 HD11 LEU 37 18.333 -0.185 -5.708 135 HD12 LEU 37 HD12 LEU 37 17.456 -1.495 -4.889 136 HD13 LEU 37 HD13 LEU 37 16.886 0.184 -4.766 137 HD21 LEU 37 HD21 LEU 37 17.362 -2.679 -7.133 138 HD22 LEU 37 HD22 LEU 37 18.218 -1.295 -7.851 139 HD23 LEU 37 HD23 LEU 37 16.676 -1.828 -8.536 140 H CYS 38 H CYS 38 13.780 1.988 -4.870 141 HA CYS 38 HA CYS 38 13.125 3.205 -7.527 142 HB2 CYS 38 HB2 CYS 38 11.508 4.598 -6.321 143 HB3 CYS 38 HB3 CYS 38 11.215 2.888 -5.996 144 HG CYS 38 HG CYS 38 10.768 3.877 -3.776 145 H LYS 39 H LYS 39 13.159 5.695 -7.298 146 HA LYS 39 HA LYS 39 15.733 6.686 -6.106 147 HB2 LYS 39 HB2 LYS 39 14.699 7.113 -8.939 148 HB3 LYS 39 HB3 LYS 39 15.964 8.096 -8.224 149 HG2 LYS 39 HG2 LYS 39 16.138 5.067 -8.559 150 HG3 LYS 39 HG3 LYS 39 16.747 6.225 -9.729 151 HD2 LYS 39 HD2 LYS 39 17.737 6.037 -6.849 152 HD3 LYS 39 HD3 LYS 39 18.503 5.281 -8.247 153 HE2 LYS 39 HE2 LYS 39 18.782 7.516 -9.314 154 HE3 LYS 39 HE3 LYS 39 18.077 8.280 -7.884 155 HZ1 LYS 39 HZ1 LYS 39 20.500 8.297 -7.794 156 HZ2 LYS 39 HZ2 LYS 39 20.575 6.672 -7.893 157 HZ3 LYS 39 HZ3 LYS 39 19.924 7.383 -6.572 158 H ALA 40 H ALA 40 12.836 7.947 -7.785 159 HA ALA 40 HA ALA 40 12.839 10.445 -6.339 160 HB1 ALA 40 HB1 ALA 40 10.756 10.851 -7.546 161 HB2 ALA 40 HB2 ALA 40 11.941 10.132 -8.641 162 HB3 ALA 40 HB3 ALA 40 10.627 9.129 -7.977 163 H ARG 41 H ARG 41 10.722 11.167 -5.309 164 HA ARG 41 HA ARG 41 10.096 9.372 -2.990 165 HB2 ARG 41 HB2 ARG 41 9.863 11.416 -1.682 166 HB3 ARG 41 HB3 ARG 41 11.464 11.242 -2.366 167 HG2 ARG 41 HG2 ARG 41 11.303 13.089 -3.694 168 HG3 ARG 41 HG3 ARG 41 9.598 12.846 -4.072 169 HD2 ARG 41 HD2 ARG 41 10.603 13.859 -1.387 170 HD3 ARG 41 HD3 ARG 41 10.069 14.895 -2.727 171 HE ARG 41 HE ARG 41 8.039 12.955 -2.191 172 HH11 ARG 41 HH11 ARG 41 9.335 15.838 -0.693 173 HH12 ARG 41 HH12 ARG 41 7.830 16.229 0.097 174 HH21 ARG 41 HH21 ARG 41 6.154 13.495 -1.175 175 HH22 ARG 41 HH22 ARG 41 6.066 14.918 -0.177 176 H PHE 42 H PHE 42 8.554 8.846 -5.045 177 HA PHE 42 HA PHE 42 5.874 10.049 -4.437 178 HB2 PHE 42 HB2 PHE 42 6.780 8.987 -7.124 179 HB3 PHE 42 HB3 PHE 42 5.270 9.805 -6.747 180 HD1 PHE 42 HD2 PHE 42 5.918 12.238 -5.355 181 HD2 PHE 42 HD1 PHE 42 8.146 10.273 -8.490 182 HE1 PHE 42 HE2 PHE 42 7.007 14.387 -5.936 183 HE2 PHE 42 HE1 PHE 42 9.217 12.428 -9.075 184 HZ PHE 42 HZ PHE 42 8.672 14.479 -7.789 185 H THR 43 H THR 43 5.143 8.565 -2.998 186 HA THR 43 HA THR 43 4.703 5.775 -3.962 187 HB THR 43 HB THR 43 5.268 6.287 -1.033 188 HG1 THR 43 HG1 THR 43 7.093 7.079 -2.101 189 HG21 THR 43 HG21 THR 43 5.596 3.929 -2.932 190 HG22 THR 43 HG22 THR 43 4.447 4.075 -1.579 191 HG23 THR 43 HG23 THR 43 6.185 3.946 -1.266 192 H ARG 44 H ARG 44 2.856 4.708 -3.022 193 HA ARG 44 HA ARG 44 0.811 6.478 -1.753 194 HB2 ARG 44 HB2 ARG 44 0.622 6.596 -4.214 195 HB3 ARG 44 HB3 ARG 44 0.421 4.843 -4.294 196 HG2 ARG 44 HG2 ARG 44 -1.715 4.978 -3.129 197 HG3 ARG 44 HG3 ARG 44 -1.435 6.642 -2.688 198 HD2 ARG 44 HD2 ARG 44 -3.024 6.589 -4.507 199 HD3 ARG 44 HD3 ARG 44 -1.522 7.358 -5.043 200 HE ARG 44 HE ARG 44 -1.318 4.603 -5.696 201 HH11 ARG 44 HH11 ARG 44 -3.189 7.337 -6.821 202 HH12 ARG 44 HH12 ARG 44 -3.510 6.579 -8.356 203 HH21 ARG 44 HH21 ARG 44 -1.846 3.666 -7.529 204 HH22 ARG 44 HH22 ARG 44 -2.733 4.523 -8.765 205 H TYR 45 H TYR 45 -0.135 5.564 -0.110 206 HA TYR 45 HA TYR 45 0.395 2.813 0.650 207 HB2 TYR 45 HB2 TYR 45 -1.519 4.749 1.974 208 HB3 TYR 45 HB3 TYR 45 -0.657 3.407 2.715 209 HD1 TYR 45 HD2 TYR 45 2.164 3.844 1.866 210 HD2 TYR 45 HD1 TYR 45 -0.837 6.718 3.024 211 HE1 TYR 45 HE2 TYR 45 3.947 5.419 2.577 212 HE2 TYR 45 HE1 TYR 45 0.957 8.309 3.689 213 HH TYR 45 HH TYR 45 3.208 8.657 3.907 214 H TYR 46 H TYR 46 -0.986 1.078 0.736 215 HA TYR 46 HA TYR 46 -3.740 1.337 -0.427 216 HB2 TYR 46 HB2 TYR 46 -1.733 -0.848 -1.058 217 HB3 TYR 46 HB3 TYR 46 -3.355 -0.743 -1.682 218 HD1 TYR 46 HD1 TYR 46 -3.539 2.136 -2.498 219 HD2 TYR 46 HD2 TYR 46 -0.382 -0.744 -2.984 220 HE1 TYR 46 HE1 TYR 46 -2.672 3.416 -4.428 221 HE2 TYR 46 HE2 TYR 46 0.525 0.565 -4.905 222 HH TYR 46 HH TYR 46 0.234 2.373 -6.255 223 H CYS 47 H CYS 47 -5.283 0.377 0.729 224 HA CYS 47 HA CYS 47 -4.689 -1.161 3.128 225 HB2 CYS 47 HB2 CYS 47 -6.713 0.185 3.074 226 HB3 CYS 47 HB3 CYS 47 -7.317 -0.740 1.684 227 H MET 48 H MET 48 -4.195 -3.205 3.257 228 HA MET 48 HA MET 48 -5.119 -5.180 1.216 229 HB2 MET 48 HB2 MET 48 -2.241 -4.687 2.083 230 HB3 MET 48 HB3 MET 48 -2.820 -6.166 1.302 231 HG2 MET 48 HG2 MET 48 -3.634 -4.882 -0.617 232 HG3 MET 48 HG3 MET 48 -3.074 -3.384 0.114 233 HE1 MET 48 HE1 MET 48 -1.592 -6.996 -0.983 234 HE2 MET 48 HE2 MET 48 0.131 -6.540 -0.951 235 HE3 MET 48 HE3 MET 48 -0.792 -6.517 0.540 236 H GLY 49 H GLY 49 -6.304 -6.565 2.296 237 HA2 GLY 49 HA2 GLY 49 -6.883 -8.223 3.828 238 HA3 GLY 49 HA3 GLY 49 -5.369 -7.973 4.699 239 H ASN 50 H ASN 50 -5.269 -5.739 5.826 240 HA ASN 50 HA ASN 50 -7.843 -4.685 6.772 241 HB2 ASN 50 HB2 ASN 50 -7.265 -5.002 9.173 242 HB3 ASN 50 HB3 ASN 50 -7.662 -6.481 8.319 243 HD21 ASN 50 HD21 ASN 50 -6.095 -8.151 8.220 244 HD22 ASN 50 HD22 ASN 50 -4.540 -7.976 9.022 245 H CYS 51 H CYS 51 -4.283 -4.412 7.420 246 HA CYS 51 HA CYS 51 -4.589 -1.537 7.917 247 HB2 CYS 51 HB2 CYS 51 -2.370 -1.563 8.603 248 HB3 CYS 51 HB3 CYS 51 -3.013 -3.091 9.168 249 H CYS 52 H CYS 52 -2.920 -0.039 6.802 250 HA CYS 52 HA CYS 52 -2.563 -0.724 3.934 251 HB2 CYS 52 HB2 CYS 52 -2.861 1.609 3.333 252 HB3 CYS 52 HB3 CYS 52 -4.322 0.845 3.937 253 H LYS 53 H LYS 53 -0.584 -1.482 4.135 254 HA LYS 53 HA LYS 53 1.647 0.097 5.218 255 HB2 LYS 53 HB2 LYS 53 1.288 -2.584 4.803 256 HB3 LYS 53 HB3 LYS 53 2.180 -2.174 3.336 257 HG2 LYS 53 HG2 LYS 53 3.965 -1.119 4.764 258 HG3 LYS 53 HG3 LYS 53 3.070 -1.610 6.200 259 HD2 LYS 53 HD2 LYS 53 4.272 -3.477 4.099 260 HD3 LYS 53 HD3 LYS 53 4.930 -3.121 5.706 261 HE2 LYS 53 HE2 LYS 53 2.584 -3.916 6.575 262 HE3 LYS 53 HE3 LYS 53 2.417 -4.663 4.981 263 HZ1 LYS 53 HZ1 LYS 53 4.503 -5.889 5.471 264 HZ2 LYS 53 HZ2 LYS 53 3.337 -6.173 6.608 265 HZ3 LYS 53 HZ3 LYS 53 4.575 -5.174 6.963 266 H VAL 54 H VAL 54 3.588 0.327 3.768 267 HA VAL 54 HA VAL 54 2.994 1.943 1.393 268 HB VAL 54 HB VAL 54 4.690 2.615 3.062 269 HG11 VAL 54 HG11 VAL 54 6.898 1.656 3.138 270 HG12 VAL 54 HG12 VAL 54 5.732 0.393 3.559 271 HG13 VAL 54 HG13 VAL 54 6.475 0.421 1.944 272 HG21 VAL 54 HG21 VAL 54 6.341 3.373 1.449 273 HG22 VAL 54 HG22 VAL 54 5.783 2.168 0.269 274 HG23 VAL 54 HG23 VAL 54 4.703 3.490 0.787 275 H TYR 55 H TYR 55 3.085 1.319 -0.653 276 HA TYR 55 HA TYR 55 4.441 -1.165 -1.505 277 HB2 TYR 55 HB2 TYR 55 1.520 -0.511 -2.013 278 HB3 TYR 55 HB3 TYR 55 2.382 -1.840 -2.766 279 HD1 TYR 55 HD1 TYR 55 3.376 -3.671 -1.192 280 HD2 TYR 55 HD2 TYR 55 0.329 -0.871 0.003 281 HE1 TYR 55 HE1 TYR 55 2.737 -5.169 0.709 282 HE2 TYR 55 HE2 TYR 55 -0.340 -2.384 1.852 283 HH TYR 55 HH TYR 55 0.074 -4.353 2.948 284 H GLU 56 H GLU 56 4.610 -1.260 -3.882 285 HA GLU 56 HA GLU 56 4.519 1.427 -5.234 286 HB2 GLU 56 HB2 GLU 56 6.772 -0.612 -5.328 287 HB3 GLU 56 HB3 GLU 56 6.695 0.901 -6.243 288 HG2 GLU 56 HG2 GLU 56 6.530 2.132 -4.042 289 HG3 GLU 56 HG3 GLU 56 6.919 0.614 -3.224 290 H GLY 57 H GLY 57 3.242 -1.615 -5.482 291 HA2 GLY 57 HA2 GLY 57 3.551 -2.090 -8.356 292 HA3 GLY 57 HA3 GLY 57 2.521 -2.979 -7.234 293 H CYS 58 H CYS 58 1.570 -2.494 -9.695 294 HA CYS 58 HA CYS 58 -0.023 -0.128 -10.009 295 HB2 CYS 58 HB2 CYS 58 -0.457 -2.871 -11.250 296 HB3 CYS 58 HB3 CYS 58 -1.088 -1.332 -11.831 297 HG CYS 58 HG CYS 58 0.850 -2.133 -13.420 298 H TYR 59 H TYR 59 -1.458 0.389 -8.440 299 HA TYR 59 HA TYR 59 -3.674 -1.522 -7.865 300 HB2 TYR 59 HB2 TYR 59 -1.768 -1.206 -6.054 301 HB3 TYR 59 HB3 TYR 59 -2.657 0.256 -5.683 302 HD1 TYR 59 HD1 TYR 59 -5.529 -0.754 -6.067 303 HD2 TYR 59 HD2 TYR 59 -2.071 -2.464 -4.114 304 HE1 TYR 59 HE1 TYR 59 -7.014 -2.083 -4.609 305 HE2 TYR 59 HE2 TYR 59 -3.564 -3.774 -2.644 306 HH TYR 59 HH TYR 59 -5.753 -4.183 -2.006 307 H THR 60 H THR 60 -5.092 -0.556 -9.189 308 HA THR 60 HA THR 60 -5.562 2.089 -9.771 309 HB THR 60 HB THR 60 -7.746 -0.004 -9.475 310 HG1 THR 60 HG1 THR 60 -7.157 -0.564 -11.596 311 HG21 THR 60 HG21 THR 60 -8.599 2.246 -10.098 312 HG22 THR 60 HG22 THR 60 -8.722 1.125 -11.460 313 HG23 THR 60 HG23 THR 60 -7.415 2.332 -11.423 314 H GLY 61 H GLY 61 -7.149 0.326 -7.093 315 HA2 GLY 61 HA2 GLY 61 -8.697 2.614 -6.169 316 HA3 GLY 61 HA3 GLY 61 -8.589 1.027 -5.420 317 H GLY 62 H GLY 62 -6.392 3.788 -6.019 318 HA2 GLY 62 HA2 GLY 62 -5.078 3.482 -3.380 319 HA3 GLY 62 HA3 GLY 62 -4.643 4.620 -4.659 320 H TYR 63 H TYR 63 -4.747 5.276 -1.957 321 HA TYR 63 HA TYR 63 -7.052 7.198 -1.778 322 HB2 TYR 63 HB2 TYR 63 -5.414 5.980 0.464 323 HB3 TYR 63 HB3 TYR 63 -6.780 7.065 0.649 324 HD1 TYR 63 HD1 TYR 63 -9.095 6.323 0.102 325 HD2 TYR 63 HD2 TYR 63 -5.747 3.600 -0.003 326 HE1 TYR 63 HE1 TYR 63 -10.665 4.390 0.162 327 HE2 TYR 63 HE2 TYR 63 -7.333 1.665 0.074 328 HH TYR 63 HH TYR 63 -10.875 2.109 0.116 329 H SER 64 H SER 64 -3.594 6.994 -1.684 330 HA SER 64 HA SER 64 -1.881 8.468 -1.448 331 HB2 SER 64 HB2 SER 64 -3.397 9.558 -3.276 332 HB3 SER 64 HB3 SER 64 -3.663 10.809 -2.051 333 HG SER 64 HG SER 64 -1.856 11.259 -3.412 334 H ARG 65 H ARG 65 -4.115 8.329 0.850 335 HA ARG 65 HA ARG 65 -2.597 10.063 2.750 336 HB2 ARG 65 HB2 ARG 65 -5.626 9.847 2.503 337 HB3 ARG 65 HB3 ARG 65 -4.817 10.545 3.893 338 HG2 ARG 65 HG2 ARG 65 -4.600 11.640 1.056 339 HG3 ARG 65 HG3 ARG 65 -5.685 12.231 2.320 340 HD2 ARG 65 HD2 ARG 65 -3.674 12.644 3.783 341 HD3 ARG 65 HD3 ARG 65 -2.639 12.263 2.400 342 HE ARG 65 HE ARG 65 -4.365 14.166 1.386 343 HH11 ARG 65 HH11 ARG 65 -2.205 14.257 4.130 344 HH12 ARG 65 HH12 ARG 65 -2.091 15.997 4.096 345 HH21 ARG 65 HH21 ARG 65 -4.194 16.359 1.391 346 HH22 ARG 65 HH22 ARG 65 -3.188 17.150 2.568 347 H MET 66 H MET 66 -1.962 9.062 4.448 348 HA MET 66 HA MET 66 -2.435 6.323 5.059 349 HB2 MET 66 HB2 MET 66 -0.452 7.694 5.656 350 HB3 MET 66 HB3 MET 66 -1.397 8.521 6.886 351 HG2 MET 66 HG2 MET 66 -1.665 6.577 8.200 352 HG3 MET 66 HG3 MET 66 -1.245 5.490 6.878 353 HE1 MET 66 HE1 MET 66 2.512 5.262 6.792 354 HE2 MET 66 HE2 MET 66 0.967 4.419 6.545 355 HE3 MET 66 HE3 MET 66 1.316 5.915 5.654 356 H GLY 67 H GLY 67 -4.114 9.241 6.143 357 HA2 GLY 67 HA2 GLY 67 -5.595 7.978 8.305 358 HA3 GLY 67 HA3 GLY 67 -5.925 9.552 7.576 359 H GLU 68 H GLU 68 -6.266 8.590 4.875 360 HA GLU 68 HA GLU 68 -9.060 7.737 5.030 361 HB2 GLU 68 HB2 GLU 68 -7.309 8.246 2.608 362 HB3 GLU 68 HB3 GLU 68 -9.038 7.874 2.582 363 HG2 GLU 68 HG2 GLU 68 -9.339 9.887 4.175 364 HG3 GLU 68 HG3 GLU 68 -7.688 10.332 3.742 365 H CYS 69 H CYS 69 -6.018 6.190 3.843 366 HA CYS 69 HA CYS 69 -7.354 3.786 2.989 367 HB2 CYS 69 HB2 CYS 69 -5.204 2.847 2.719 368 HB3 CYS 69 HB3 CYS 69 -5.155 4.519 2.201 369 H ALA 70 H ALA 70 -6.421 4.875 6.136 370 HA ALA 70 HA ALA 70 -6.744 2.296 7.484 371 HB1 ALA 70 HB1 ALA 70 -5.212 3.994 8.366 372 HB2 ALA 70 HB2 ALA 70 -6.528 5.173 8.501 373 HB3 ALA 70 HB3 ALA 70 -6.530 3.714 9.521 374 H ARG 71 H ARG 71 -8.648 5.389 7.637 375 HA ARG 71 HA ARG 71 -10.773 4.205 9.097 376 HB2 ARG 71 HB2 ARG 71 -11.941 6.239 8.898 377 HB3 ARG 71 HB3 ARG 71 -10.229 6.646 8.942 378 HG2 ARG 71 HG2 ARG 71 -10.351 6.743 6.362 379 HG3 ARG 71 HG3 ARG 71 -12.099 6.612 6.524 380 HD2 ARG 71 HD2 ARG 71 -11.525 8.927 6.247 381 HD3 ARG 71 HD3 ARG 71 -12.130 8.681 7.897 382 HE ARG 71 HE ARG 71 -9.296 8.405 7.932 383 HH11 ARG 71 HH11 ARG 71 -11.516 11.021 7.269 384 HH12 ARG 71 HH12 ARG 71 -10.434 12.233 7.899 385 HH21 ARG 71 HH21 ARG 71 -8.048 9.964 8.906 386 HH22 ARG 71 HH22 ARG 71 -8.494 11.638 8.763 387 H ASN 72 H ASN 72 -10.394 4.264 5.615 388 HA ASN 72 HA ASN 72 -13.117 3.315 5.064 389 HB2 ASN 72 HB2 ASN 72 -10.595 3.501 3.365 390 HB3 ASN 72 HB3 ASN 72 -12.139 2.910 2.764 391 HD21 ASN 72 HD21 ASN 72 -10.338 5.577 2.627 392 HD22 ASN 72 HD22 ASN 72 -11.641 6.762 2.471 393 H CYS 73 H CYS 73 -10.527 1.719 6.507 394 HA CYS 73 HA CYS 73 -11.430 -0.956 5.549 395 HB2 CYS 73 HB2 CYS 73 -8.804 0.362 5.477 396 HB3 CYS 73 HB3 CYS 73 -8.747 -1.178 6.291 397 HA PRO 74 HA PRO 74 -12.030 -2.214 9.638 398 HB2 PRO 74 HB2 PRO 74 -11.426 -4.859 9.716 399 HB3 PRO 74 HB3 PRO 74 -12.699 -4.198 8.644 400 HG2 PRO 74 HG2 PRO 74 -9.819 -4.833 7.938 401 HG3 PRO 74 HG3 PRO 74 -11.302 -5.351 7.073 402 HD2 PRO 74 HD2 PRO 74 -9.863 -3.172 6.303 403 HD3 PRO 74 HD3 PRO 74 -11.647 -3.201 6.179 404 H GLY 75 H GLY 75 -8.779 -2.082 8.705 405 HA2 GLY 75 HA2 GLY 75 -7.287 -3.206 10.845 406 HA3 GLY 75 HA3 GLY 75 -6.757 -1.872 9.824 Start of MODEL 9 1 H1 GLY 19 H1 GLY 19 7.780 -12.134 11.225 2 H2 GLY 19 H2 GLY 19 7.996 -12.070 9.604 3 H3 GLY 19 H3 GLY 19 9.284 -11.932 10.604 4 HA2 GLY 19 HA2 GLY 19 8.693 -9.765 9.714 5 HA3 GLY 19 HA3 GLY 19 7.066 -9.996 10.374 6 H ASP 20 H ASP 20 10.396 -9.211 11.111 7 HA ASP 20 HA ASP 20 10.116 -9.324 14.009 8 HB2 ASP 20 HB2 ASP 20 12.286 -8.226 12.181 9 HB3 ASP 20 HB3 ASP 20 12.422 -8.349 13.932 10 H LYS 21 H LYS 21 9.435 -6.856 11.696 11 HA LYS 21 HA LYS 21 9.822 -4.572 13.549 12 HB2 LYS 21 HB2 LYS 21 8.933 -4.799 10.637 13 HB3 LYS 21 HB3 LYS 21 8.830 -3.298 11.538 14 HG2 LYS 21 HG2 LYS 21 10.821 -3.108 10.378 15 HG3 LYS 21 HG3 LYS 21 11.298 -3.457 12.038 16 HD2 LYS 21 HD2 LYS 21 11.806 -5.811 11.394 17 HD3 LYS 21 HD3 LYS 21 11.171 -5.501 9.772 18 HE2 LYS 21 HE2 LYS 21 13.538 -5.416 9.599 19 HE3 LYS 21 HE3 LYS 21 12.957 -3.756 9.459 20 HZ1 LYS 21 HZ1 LYS 21 13.578 -3.425 11.804 21 HZ2 LYS 21 HZ2 LYS 21 14.873 -3.927 10.951 22 HZ3 LYS 21 HZ3 LYS 21 14.094 -4.972 11.928 23 H GLU 22 H GLU 22 8.128 -2.973 13.794 24 HA GLU 22 HA GLU 22 5.637 -4.109 14.840 25 HB2 GLU 22 HB2 GLU 22 6.677 -1.254 14.668 26 HB3 GLU 22 HB3 GLU 22 5.168 -1.721 15.455 27 HG2 GLU 22 HG2 GLU 22 7.939 -2.696 16.278 28 HG3 GLU 22 HG3 GLU 22 7.051 -1.381 17.034 29 H GLU 23 H GLU 23 5.002 -4.996 12.720 30 HA GLU 23 HA GLU 23 3.043 -3.169 11.442 31 HB2 GLU 23 HB2 GLU 23 3.601 -3.946 9.197 32 HB3 GLU 23 HB3 GLU 23 4.959 -3.108 9.940 33 HG2 GLU 23 HG2 GLU 23 6.019 -5.318 10.463 34 HG3 GLU 23 HG3 GLU 23 4.666 -6.135 9.679 35 H CYS 24 H CYS 24 1.277 -4.244 10.385 36 HA CYS 24 HA CYS 24 0.372 -6.686 11.678 37 HB2 CYS 24 HB2 CYS 24 -0.711 -5.241 9.237 38 HB3 CYS 24 HB3 CYS 24 -1.566 -6.446 10.179 39 H THR 25 H THR 25 -0.075 -8.693 10.667 40 HA THR 25 HA THR 25 1.725 -9.615 8.568 41 HB THR 25 HB THR 25 0.934 -10.992 10.509 42 HG1 THR 25 HG1 THR 25 1.888 -12.101 8.949 43 HG21 THR 25 HG21 THR 25 -1.149 -12.216 10.359 44 HG22 THR 25 HG22 THR 25 -1.615 -11.364 8.878 45 HG23 THR 25 HG23 THR 25 -1.504 -10.481 10.419 46 H VAL 26 H VAL 26 0.356 -11.214 6.938 47 HA VAL 26 HA VAL 26 -1.555 -9.540 5.387 48 HB VAL 26 HB VAL 26 0.727 -10.975 4.029 49 HG11 VAL 26 HG11 VAL 26 -1.249 -10.444 2.646 50 HG12 VAL 26 HG12 VAL 26 -1.086 -8.735 3.087 51 HG13 VAL 26 HG13 VAL 26 0.177 -9.541 2.133 52 HG21 VAL 26 HG21 VAL 26 0.662 -8.021 4.777 53 HG22 VAL 26 HG22 VAL 26 1.835 -9.230 5.348 54 HG23 VAL 26 HG23 VAL 26 1.812 -8.768 3.649 55 HA PRO 27 HA PRO 27 -3.490 -13.619 5.235 56 HB2 PRO 27 HB2 PRO 27 -5.624 -13.105 3.625 57 HB3 PRO 27 HB3 PRO 27 -5.473 -12.378 5.254 58 HG2 PRO 27 HG2 PRO 27 -4.659 -11.138 2.592 59 HG3 PRO 27 HG3 PRO 27 -5.735 -10.431 3.847 60 HD2 PRO 27 HD2 PRO 27 -3.085 -9.834 3.740 61 HD3 PRO 27 HD3 PRO 27 -3.902 -10.057 5.314 62 H ILE 28 H ILE 28 -4.046 -15.331 3.723 63 HA ILE 28 HA ILE 28 -2.154 -15.790 1.630 64 HB ILE 28 HB ILE 28 -4.800 -17.243 2.073 65 HG12 ILE 28 HG12 ILE 28 -2.949 -18.910 3.190 66 HG13 ILE 28 HG13 ILE 28 -2.195 -17.376 3.588 67 HG21 ILE 28 HG21 ILE 28 -2.202 -18.126 0.737 68 HG22 ILE 28 HG22 ILE 28 -3.613 -19.161 1.039 69 HG23 ILE 28 HG23 ILE 28 -3.758 -17.814 -0.076 70 HD11 ILE 28 HD11 ILE 28 -3.654 -18.230 5.395 71 HD12 ILE 28 HD12 ILE 28 -4.307 -16.704 4.783 72 HD13 ILE 28 HD13 ILE 28 -5.044 -18.246 4.295 73 H GLY 29 H GLY 29 -2.312 -15.690 -0.605 74 HA2 GLY 29 HA2 GLY 29 -3.208 -15.204 -2.718 75 HA3 GLY 29 HA3 GLY 29 -4.762 -14.823 -1.986 76 H TRP 30 H TRP 30 -1.816 -13.304 -0.867 77 HA TRP 30 HA TRP 30 -2.751 -10.649 -1.060 78 HB2 TRP 30 HB2 TRP 30 -0.425 -10.129 -0.291 79 HB3 TRP 30 HB3 TRP 30 -1.270 -11.350 0.618 80 HD1 TRP 30 HD1 TRP 30 0.899 -11.953 -2.564 81 HE1 TRP 30 HE1 TRP 30 2.751 -13.625 -1.959 82 HE3 TRP 30 HE3 TRP 30 -0.093 -12.466 2.392 83 HZ2 TRP 30 HZ2 TRP 30 3.695 -15.005 0.394 84 HZ3 TRP 30 HZ3 TRP 30 1.295 -13.980 3.832 85 HH2 TRP 30 HH2 TRP 30 3.190 -15.246 2.834 86 H SER 31 H SER 31 -1.207 -8.926 -1.798 87 HA SER 31 HA SER 31 -0.288 -9.181 -4.626 88 HB2 SER 31 HB2 SER 31 -1.371 -6.943 -5.066 89 HB3 SER 31 HB3 SER 31 -2.446 -8.337 -4.920 90 HG SER 31 HG SER 31 -3.001 -6.293 -3.736 91 H GLU 32 H GLU 32 1.648 -9.395 -3.255 92 HA GLU 32 HA GLU 32 2.806 -7.189 -1.841 93 HB2 GLU 32 HB2 GLU 32 5.010 -8.544 -2.370 94 HB3 GLU 32 HB3 GLU 32 3.816 -9.088 -1.212 95 HG2 GLU 32 HG2 GLU 32 4.626 -10.951 -2.472 96 HG3 GLU 32 HG3 GLU 32 2.922 -10.717 -2.784 97 HA PRO 33 HA PRO 33 4.315 -4.501 -4.954 98 HB2 PRO 33 HB2 PRO 33 6.517 -3.336 -3.840 99 HB3 PRO 33 HB3 PRO 33 4.874 -3.111 -3.169 100 HG2 PRO 33 HG2 PRO 33 6.967 -5.143 -2.297 101 HG3 PRO 33 HG3 PRO 33 6.100 -3.964 -1.267 102 HD2 PRO 33 HD2 PRO 33 5.224 -6.506 -1.499 103 HD3 PRO 33 HD3 PRO 33 4.046 -5.162 -1.485 104 H VAL 34 H VAL 34 6.254 -3.871 -6.269 105 HA VAL 34 HA VAL 34 8.133 -6.113 -6.841 106 HB VAL 34 HB VAL 34 6.623 -4.750 -9.092 107 HG11 VAL 34 HG11 VAL 34 8.814 -5.836 -9.660 108 HG12 VAL 34 HG12 VAL 34 8.239 -7.347 -8.931 109 HG13 VAL 34 HG13 VAL 34 7.454 -6.692 -10.383 110 HG21 VAL 34 HG21 VAL 34 5.987 -7.428 -7.782 111 HG22 VAL 34 HG22 VAL 34 4.924 -6.004 -7.860 112 HG23 VAL 34 HG23 VAL 34 5.338 -6.866 -9.338 113 H LYS 35 H LYS 35 9.029 -4.274 -5.405 114 HA LYS 35 HA LYS 35 10.169 -1.914 -6.627 115 HB2 LYS 35 HB2 LYS 35 10.556 -3.484 -4.109 116 HB3 LYS 35 HB3 LYS 35 11.963 -2.571 -4.668 117 HG2 LYS 35 HG2 LYS 35 10.456 -0.527 -4.848 118 HG3 LYS 35 HG3 LYS 35 9.221 -1.445 -3.978 119 HD2 LYS 35 HD2 LYS 35 12.065 -0.861 -3.005 120 HD3 LYS 35 HD3 LYS 35 10.655 0.061 -2.524 121 HE2 LYS 35 HE2 LYS 35 11.005 -2.924 -1.980 122 HE3 LYS 35 HE3 LYS 35 11.482 -1.652 -0.857 123 HZ1 LYS 35 HZ1 LYS 35 8.701 -2.059 -1.816 124 HZ2 LYS 35 HZ2 LYS 35 9.186 -0.917 -0.742 125 HZ3 LYS 35 HZ3 LYS 35 9.270 -2.496 -0.346 126 H GLY 36 H GLY 36 11.805 -1.655 -7.921 127 HA2 GLY 36 HA2 GLY 36 14.070 -3.511 -8.212 128 HA3 GLY 36 HA3 GLY 36 12.948 -3.510 -9.576 129 H LEU 37 H LEU 37 15.041 -1.472 -7.601 130 HA LEU 37 HA LEU 37 16.132 0.509 -7.907 131 HB2 LEU 37 HB2 LEU 37 16.287 -0.374 -10.804 132 HB3 LEU 37 HB3 LEU 37 17.348 0.777 -10.004 133 HG LEU 37 HG LEU 37 17.152 -2.190 -9.309 134 HD11 LEU 37 HD11 LEU 37 19.298 -0.631 -10.802 135 HD12 LEU 37 HD12 LEU 37 18.149 -1.783 -11.521 136 HD13 LEU 37 HD13 LEU 37 19.359 -2.355 -10.360 137 HD21 LEU 37 HD21 LEU 37 19.226 -1.773 -8.013 138 HD22 LEU 37 HD22 LEU 37 17.863 -0.868 -7.352 139 HD23 LEU 37 HD23 LEU 37 19.082 -0.031 -8.342 140 H CYS 38 H CYS 38 13.314 0.726 -7.974 141 HA CYS 38 HA CYS 38 12.195 2.284 -10.010 142 HB2 CYS 38 HB2 CYS 38 11.515 2.230 -7.032 143 HB3 CYS 38 HB3 CYS 38 10.442 2.798 -8.319 144 HG CYS 38 HG CYS 38 10.345 0.544 -9.658 145 H LYS 39 H LYS 39 11.569 4.456 -10.144 146 HA LYS 39 HA LYS 39 13.372 6.485 -8.852 147 HB2 LYS 39 HB2 LYS 39 12.435 6.350 -11.736 148 HB3 LYS 39 HB3 LYS 39 13.401 7.644 -11.043 149 HG2 LYS 39 HG2 LYS 39 14.364 4.749 -11.252 150 HG3 LYS 39 HG3 LYS 39 14.580 5.966 -12.491 151 HD2 LYS 39 HD2 LYS 39 16.611 5.979 -11.422 152 HD3 LYS 39 HD3 LYS 39 15.804 7.401 -10.757 153 HE2 LYS 39 HE2 LYS 39 15.265 6.118 -8.697 154 HE3 LYS 39 HE3 LYS 39 15.957 4.659 -9.410 155 HZ1 LYS 39 HZ1 LYS 39 17.527 5.778 -7.925 156 HZ2 LYS 39 HZ2 LYS 39 17.477 7.146 -8.811 157 HZ3 LYS 39 HZ3 LYS 39 18.117 5.783 -9.445 158 H ALA 40 H ALA 40 11.621 6.588 -7.327 159 HA ALA 40 HA ALA 40 9.785 8.803 -8.062 160 HB1 ALA 40 HB1 ALA 40 8.924 6.321 -6.504 161 HB2 ALA 40 HB2 ALA 40 7.927 7.759 -6.814 162 HB3 ALA 40 HB3 ALA 40 8.432 6.729 -8.163 163 H ARG 41 H ARG 41 9.009 9.988 -6.215 164 HA ARG 41 HA ARG 41 10.799 9.981 -3.803 165 HB2 ARG 41 HB2 ARG 41 9.898 12.398 -5.427 166 HB3 ARG 41 HB3 ARG 41 10.881 12.415 -3.962 167 HG2 ARG 41 HG2 ARG 41 12.587 10.969 -5.216 168 HG3 ARG 41 HG3 ARG 41 11.651 11.295 -6.680 169 HD2 ARG 41 HD2 ARG 41 13.428 12.880 -6.666 170 HD3 ARG 41 HD3 ARG 41 11.960 13.761 -6.264 171 HE ARG 41 HE ARG 41 12.803 14.220 -4.142 172 HH11 ARG 41 HH11 ARG 41 14.899 11.785 -5.532 173 HH12 ARG 41 HH12 ARG 41 16.056 11.911 -4.236 174 HH21 ARG 41 HH21 ARG 41 14.303 14.329 -2.524 175 HH22 ARG 41 HH22 ARG 41 15.719 13.321 -2.582 176 H PHE 42 H PHE 42 7.857 9.179 -4.366 177 HA PHE 42 HA PHE 42 6.623 10.571 -2.052 178 HB2 PHE 42 HB2 PHE 42 4.526 10.790 -3.237 179 HB3 PHE 42 HB3 PHE 42 5.799 11.714 -4.004 180 HD1 PHE 42 HD1 PHE 42 6.779 10.953 -6.210 181 HD2 PHE 42 HD2 PHE 42 3.350 9.032 -4.429 182 HE1 PHE 42 HE1 PHE 42 6.252 9.872 -8.381 183 HE2 PHE 42 HE2 PHE 42 2.828 7.957 -6.600 184 HZ PHE 42 HZ PHE 42 4.282 8.368 -8.577 185 H THR 43 H THR 43 6.479 9.024 -0.580 186 HA THR 43 HA THR 43 5.973 6.241 -1.112 187 HB THR 43 HB THR 43 5.225 7.353 1.568 188 HG1 THR 43 HG1 THR 43 7.411 7.622 2.114 189 HG21 THR 43 HG21 THR 43 7.108 5.138 0.629 190 HG22 THR 43 HG22 THR 43 5.419 4.924 1.137 191 HG23 THR 43 HG23 THR 43 6.635 5.470 2.309 192 H ARG 44 H ARG 44 4.061 4.994 -0.462 193 HA ARG 44 HA ARG 44 1.487 6.446 -0.216 194 HB2 ARG 44 HB2 ARG 44 2.006 6.175 -2.620 195 HB3 ARG 44 HB3 ARG 44 2.136 4.434 -2.430 196 HG2 ARG 44 HG2 ARG 44 -0.218 4.188 -2.183 197 HG3 ARG 44 HG3 ARG 44 -0.388 5.807 -1.564 198 HD2 ARG 44 HD2 ARG 44 -1.383 5.703 -3.766 199 HD3 ARG 44 HD3 ARG 44 0.028 6.769 -3.784 200 HE ARG 44 HE ARG 44 0.474 3.942 -4.590 201 HH11 ARG 44 HH11 ARG 44 -0.155 7.142 -5.854 202 HH12 ARG 44 HH12 ARG 44 0.446 6.718 -7.434 203 HH21 ARG 44 HH21 ARG 44 1.237 3.483 -6.540 204 HH22 ARG 44 HH22 ARG 44 1.253 4.680 -7.807 205 H TYR 45 H TYR 45 -0.345 4.892 0.227 206 HA TYR 45 HA TYR 45 0.568 2.550 1.824 207 HB2 TYR 45 HB2 TYR 45 -1.696 4.195 2.853 208 HB3 TYR 45 HB3 TYR 45 -0.573 3.174 3.727 209 HD1 TYR 45 HD2 TYR 45 2.047 4.163 3.541 210 HD2 TYR 45 HD1 TYR 45 -1.594 6.427 3.234 211 HE1 TYR 45 HE2 TYR 45 3.290 6.233 4.146 212 HE2 TYR 45 HE1 TYR 45 -0.345 8.506 3.822 213 HH TYR 45 HH TYR 45 3.138 8.504 4.547 214 H TYR 46 H TYR 46 -0.815 0.843 1.990 215 HA TYR 46 HA TYR 46 -3.243 0.764 0.224 216 HB2 TYR 46 HB2 TYR 46 -0.903 -1.163 0.033 217 HB3 TYR 46 HB3 TYR 46 -2.434 -1.342 -0.773 218 HD1 TYR 46 HD1 TYR 46 0.366 1.211 -0.535 219 HD2 TYR 46 HD2 TYR 46 -2.520 -0.807 -3.036 220 HE1 TYR 46 HE1 TYR 46 1.254 2.393 -2.508 221 HE2 TYR 46 HE2 TYR 46 -1.524 0.285 -5.030 222 HH TYR 46 HH TYR 46 0.039 1.703 -5.801 223 H CYS 47 H CYS 47 -4.857 -0.460 1.008 224 HA CYS 47 HA CYS 47 -4.535 -1.970 3.525 225 HB2 CYS 47 HB2 CYS 47 -6.479 -0.435 3.185 226 HB3 CYS 47 HB3 CYS 47 -7.036 -1.499 1.888 227 H MET 48 H MET 48 -3.672 -3.918 3.359 228 HA MET 48 HA MET 48 -4.043 -5.754 1.127 229 HB2 MET 48 HB2 MET 48 -2.776 -5.862 3.865 230 HB3 MET 48 HB3 MET 48 -3.055 -7.365 2.998 231 HG2 MET 48 HG2 MET 48 -1.534 -5.038 1.771 232 HG3 MET 48 HG3 MET 48 -0.785 -6.348 2.683 233 HE1 MET 48 HE1 MET 48 0.473 -7.702 -0.612 234 HE2 MET 48 HE2 MET 48 0.505 -6.013 -0.049 235 HE3 MET 48 HE3 MET 48 0.789 -7.346 1.092 236 H GLY 49 H GLY 49 -6.209 -4.953 3.598 237 HA2 GLY 49 HA2 GLY 49 -8.307 -6.547 2.909 238 HA3 GLY 49 HA3 GLY 49 -7.401 -7.618 3.990 239 H ASN 50 H ASN 50 -6.508 -5.706 5.810 240 HA ASN 50 HA ASN 50 -8.910 -4.441 7.048 241 HB2 ASN 50 HB2 ASN 50 -8.811 -6.729 7.958 242 HB3 ASN 50 HB3 ASN 50 -7.120 -6.522 8.394 243 HD21 ASN 50 HD21 ASN 50 -10.350 -6.192 9.541 244 HD22 ASN 50 HD22 ASN 50 -9.918 -5.289 10.987 245 H CYS 51 H CYS 51 -5.435 -5.044 7.484 246 HA CYS 51 HA CYS 51 -5.062 -2.308 8.642 247 HB2 CYS 51 HB2 CYS 51 -4.504 -4.101 10.136 248 HB3 CYS 51 HB3 CYS 51 -3.508 -4.889 8.909 249 H CYS 52 H CYS 52 -4.423 -0.889 7.175 250 HA CYS 52 HA CYS 52 -2.871 -1.672 4.826 251 HB2 CYS 52 HB2 CYS 52 -2.877 0.718 4.235 252 HB3 CYS 52 HB3 CYS 52 -4.475 0.025 4.424 253 H LYS 53 H LYS 53 -0.878 -1.055 4.224 254 HA LYS 53 HA LYS 53 1.071 -0.150 6.315 255 HB2 LYS 53 HB2 LYS 53 1.167 -2.641 4.574 256 HB3 LYS 53 HB3 LYS 53 2.645 -1.854 5.025 257 HG2 LYS 53 HG2 LYS 53 2.525 -3.347 6.720 258 HG3 LYS 53 HG3 LYS 53 1.677 -2.008 7.482 259 HD2 LYS 53 HD2 LYS 53 0.317 -3.877 7.917 260 HD3 LYS 53 HD3 LYS 53 -0.487 -3.059 6.565 261 HE2 LYS 53 HE2 LYS 53 0.550 -4.633 4.976 262 HE3 LYS 53 HE3 LYS 53 1.306 -5.506 6.316 263 HZ1 LYS 53 HZ1 LYS 53 -0.794 -6.249 7.054 264 HZ2 LYS 53 HZ2 LYS 53 -0.919 -6.374 5.455 265 HZ3 LYS 53 HZ3 LYS 53 -1.636 -5.097 6.210 266 H VAL 54 H VAL 54 3.199 0.254 5.279 267 HA VAL 54 HA VAL 54 2.908 2.228 3.118 268 HB VAL 54 HB VAL 54 4.366 2.544 5.161 269 HG11 VAL 54 HG11 VAL 54 6.622 1.714 5.204 270 HG12 VAL 54 HG12 VAL 54 5.549 0.307 5.115 271 HG13 VAL 54 HG13 VAL 54 6.421 0.865 3.663 272 HG21 VAL 54 HG21 VAL 54 4.487 3.971 3.173 273 HG22 VAL 54 HG22 VAL 54 6.068 3.774 3.947 274 HG23 VAL 54 HG23 VAL 54 5.698 2.879 2.456 275 H TYR 55 H TYR 55 3.387 1.976 1.023 276 HA TYR 55 HA TYR 55 5.118 -0.219 0.106 277 HB2 TYR 55 HB2 TYR 55 2.289 0.106 -0.943 278 HB3 TYR 55 HB3 TYR 55 3.496 -0.954 -1.619 279 HD1 TYR 55 HD2 TYR 55 4.207 -3.004 -0.447 280 HD2 TYR 55 HD1 TYR 55 1.049 -0.529 1.089 281 HE1 TYR 55 HE2 TYR 55 3.488 -4.864 1.053 282 HE2 TYR 55 HE1 TYR 55 0.319 -2.399 2.601 283 HH TYR 55 HH TYR 55 2.068 -5.509 2.703 284 H GLU 56 H GLU 56 5.651 0.004 -2.203 285 HA GLU 56 HA GLU 56 5.030 2.456 -3.612 286 HB2 GLU 56 HB2 GLU 56 7.462 3.074 -3.917 287 HB3 GLU 56 HB3 GLU 56 6.743 3.474 -2.363 288 HG2 GLU 56 HG2 GLU 56 7.846 1.578 -1.273 289 HG3 GLU 56 HG3 GLU 56 8.486 1.024 -2.827 290 H GLY 57 H GLY 57 5.550 2.318 -5.827 291 HA2 GLY 57 HA2 GLY 57 6.847 0.833 -7.541 292 HA3 GLY 57 HA3 GLY 57 5.916 -0.473 -6.802 293 H CYS 58 H CYS 58 5.362 -0.571 -9.178 294 HA CYS 58 HA CYS 58 3.700 1.368 -10.432 295 HB2 CYS 58 HB2 CYS 58 4.206 -1.564 -11.118 296 HB3 CYS 58 HB3 CYS 58 3.560 -0.340 -12.222 297 HG CYS 58 HG CYS 58 6.071 -0.859 -12.828 298 H TYR 59 H TYR 59 2.605 -0.237 -7.930 299 HA TYR 59 HA TYR 59 0.213 -1.571 -8.797 300 HB2 TYR 59 HB2 TYR 59 1.558 -1.987 -6.723 301 HB3 TYR 59 HB3 TYR 59 0.948 -0.500 -6.054 302 HD1 TYR 59 HD2 TYR 59 -1.823 -1.985 -7.834 303 HD2 TYR 59 HD1 TYR 59 0.618 -2.467 -4.292 304 HE1 TYR 59 HE2 TYR 59 -3.626 -3.262 -6.764 305 HE2 TYR 59 HE1 TYR 59 -1.201 -3.793 -3.237 306 HH TYR 59 HH TYR 59 -4.326 -4.382 -4.909 307 H THR 60 H THR 60 -1.030 -0.253 -10.038 308 HA THR 60 HA THR 60 -1.671 2.395 -9.857 309 HB THR 60 HB THR 60 -3.642 0.260 -10.754 310 HG1 THR 60 HG1 THR 60 -1.483 1.418 -12.190 311 HG21 THR 60 HG21 THR 60 -3.126 3.090 -11.779 312 HG22 THR 60 HG22 THR 60 -4.572 2.536 -10.904 313 HG23 THR 60 HG23 THR 60 -4.223 1.902 -12.518 314 H GLY 61 H GLY 61 -3.466 -0.169 -8.148 315 HA2 GLY 61 HA2 GLY 61 -5.636 1.587 -7.315 316 HA3 GLY 61 HA3 GLY 61 -5.432 -0.113 -6.924 317 H GLY 62 H GLY 62 -3.703 2.929 -6.172 318 HA2 GLY 62 HA2 GLY 62 -3.430 2.134 -3.290 319 HA3 GLY 62 HA3 GLY 62 -2.473 3.351 -4.128 320 H TYR 63 H TYR 63 -3.370 4.028 -1.755 321 HA TYR 63 HA TYR 63 -5.743 5.833 -2.078 322 HB2 TYR 63 HB2 TYR 63 -4.328 4.764 0.397 323 HB3 TYR 63 HB3 TYR 63 -5.664 5.891 0.404 324 HD1 TYR 63 HD2 TYR 63 -4.694 2.383 -0.223 325 HD2 TYR 63 HD1 TYR 63 -7.959 5.180 -0.096 326 HE1 TYR 63 HE2 TYR 63 -6.325 0.481 -0.211 327 HE2 TYR 63 HE1 TYR 63 -9.581 3.285 -0.030 328 HH TYR 63 HH TYR 63 -8.533 -0.129 -0.188 329 H SER 64 H SER 64 -5.523 8.065 -1.107 330 HA SER 64 HA SER 64 -2.916 9.194 -1.872 331 HB2 SER 64 HB2 SER 64 -3.879 11.330 -1.642 332 HB3 SER 64 HB3 SER 64 -5.082 10.297 -2.428 333 HG SER 64 HG SER 64 -6.038 11.555 -0.797 334 H ARG 65 H ARG 65 -4.702 8.796 1.128 335 HA ARG 65 HA ARG 65 -2.270 9.334 2.784 336 HB2 ARG 65 HB2 ARG 65 -5.006 10.643 2.970 337 HB3 ARG 65 HB3 ARG 65 -3.995 10.530 4.395 338 HG2 ARG 65 HG2 ARG 65 -2.966 11.834 1.845 339 HG3 ARG 65 HG3 ARG 65 -3.963 12.682 3.011 340 HD2 ARG 65 HD2 ARG 65 -1.795 13.265 3.636 341 HD3 ARG 65 HD3 ARG 65 -2.323 12.087 4.828 342 HE ARG 65 HE ARG 65 -0.506 10.806 4.268 343 HH11 ARG 65 HH11 ARG 65 -1.013 12.886 1.513 344 HH12 ARG 65 HH12 ARG 65 0.456 12.367 0.737 345 HH21 ARG 65 HH21 ARG 65 1.345 10.135 3.205 346 HH22 ARG 65 HH22 ARG 65 1.724 10.859 1.676 347 H MET 66 H MET 66 -2.456 8.608 5.001 348 HA MET 66 HA MET 66 -3.320 5.882 5.075 349 HB2 MET 66 HB2 MET 66 -1.337 6.793 6.218 350 HB3 MET 66 HB3 MET 66 -2.371 7.659 7.346 351 HG2 MET 66 HG2 MET 66 -3.249 5.590 8.245 352 HG3 MET 66 HG3 MET 66 -2.500 4.638 6.964 353 HE1 MET 66 HE1 MET 66 1.213 4.404 7.900 354 HE2 MET 66 HE2 MET 66 -0.120 3.781 6.902 355 HE3 MET 66 HE3 MET 66 0.461 5.447 6.677 356 H GLY 67 H GLY 67 -4.834 8.846 6.241 357 HA2 GLY 67 HA2 GLY 67 -6.961 7.721 7.779 358 HA3 GLY 67 HA3 GLY 67 -7.008 9.264 6.925 359 H GLU 68 H GLU 68 -6.542 7.891 4.261 360 HA GLU 68 HA GLU 68 -9.315 7.130 3.654 361 HB2 GLU 68 HB2 GLU 68 -6.862 6.974 1.884 362 HB3 GLU 68 HB3 GLU 68 -8.543 6.701 1.416 363 HG2 GLU 68 HG2 GLU 68 -8.993 9.104 2.158 364 HG3 GLU 68 HG3 GLU 68 -7.234 9.318 2.172 365 H CYS 69 H CYS 69 -6.129 5.416 3.667 366 HA CYS 69 HA CYS 69 -7.289 2.903 2.883 367 HB2 CYS 69 HB2 CYS 69 -5.186 1.945 3.129 368 HB3 CYS 69 HB3 CYS 69 -4.936 3.565 2.524 369 H ALA 70 H ALA 70 -7.047 4.420 5.976 370 HA ALA 70 HA ALA 70 -7.899 2.100 7.535 371 HB1 ALA 70 HB1 ALA 70 -6.655 3.964 8.559 372 HB2 ALA 70 HB2 ALA 70 -7.916 5.116 8.082 373 HB3 ALA 70 HB3 ALA 70 -8.274 3.848 9.281 374 H ARG 71 H ARG 71 -9.690 5.153 6.672 375 HA ARG 71 HA ARG 71 -12.137 4.155 7.654 376 HB2 ARG 71 HB2 ARG 71 -13.176 6.103 6.879 377 HB3 ARG 71 HB3 ARG 71 -11.521 6.563 7.257 378 HG2 ARG 71 HG2 ARG 71 -11.010 6.337 4.757 379 HG3 ARG 71 HG3 ARG 71 -12.731 6.068 4.491 380 HD2 ARG 71 HD2 ARG 71 -12.263 8.363 4.019 381 HD3 ARG 71 HD3 ARG 71 -13.235 8.281 5.500 382 HE ARG 71 HE ARG 71 -10.453 8.293 6.185 383 HH11 ARG 71 HH11 ARG 71 -12.758 10.558 4.843 384 HH12 ARG 71 HH12 ARG 71 -11.945 11.942 5.522 385 HH21 ARG 71 HH21 ARG 71 -9.539 10.081 7.135 386 HH22 ARG 71 HH22 ARG 71 -10.144 11.668 6.765 387 H ASN 72 H ASN 72 -10.871 3.670 4.446 388 HA ASN 72 HA ASN 72 -13.407 2.619 3.357 389 HB2 ASN 72 HB2 ASN 72 -10.560 2.733 2.276 390 HB3 ASN 72 HB3 ASN 72 -11.909 2.012 1.406 391 HD21 ASN 72 HD21 ASN 72 -10.458 5.017 2.367 392 HD22 ASN 72 HD22 ASN 72 -11.581 6.036 1.441 393 H CYS 73 H CYS 73 -11.146 1.282 5.485 394 HA CYS 73 HA CYS 73 -11.773 -1.508 4.640 395 HB2 CYS 73 HB2 CYS 73 -9.239 -0.130 5.186 396 HB3 CYS 73 HB3 CYS 73 -9.416 -1.558 6.166 397 HA PRO 74 HA PRO 74 -13.504 -2.275 8.575 398 HB2 PRO 74 HB2 PRO 74 -12.871 -4.877 9.149 399 HB3 PRO 74 HB3 PRO 74 -13.947 -4.382 7.808 400 HG2 PRO 74 HG2 PRO 74 -10.999 -5.057 7.678 401 HG3 PRO 74 HG3 PRO 74 -12.317 -5.661 6.626 402 HD2 PRO 74 HD2 PRO 74 -10.723 -3.587 5.888 403 HD3 PRO 74 HD3 PRO 74 -12.461 -3.615 5.474 404 H GLY 75 H GLY 75 -10.139 -2.078 8.498 405 HA2 GLY 75 HA2 GLY 75 -9.564 -2.599 11.348 406 HA3 GLY 75 HA3 GLY 75 -8.430 -2.044 10.127 Start of MODEL 10 1 H1 GLY 19 H1 GLY 19 3.258 5.207 15.477 2 H2 GLY 19 H2 GLY 19 2.256 5.179 16.772 3 H3 GLY 19 H3 GLY 19 3.371 6.372 16.627 4 HA2 GLY 19 HA2 GLY 19 5.185 4.813 16.889 5 HA3 GLY 19 HA3 GLY 19 4.081 4.770 18.278 6 H ASP 20 H ASP 20 5.355 3.017 15.558 7 HA ASP 20 HA ASP 20 3.673 0.610 16.137 8 HB2 ASP 20 HB2 ASP 20 4.231 1.896 13.437 9 HB3 ASP 20 HB3 ASP 20 3.490 0.314 13.678 10 H LYS 21 H LYS 21 5.233 -0.572 17.091 11 HA LYS 21 HA LYS 21 8.002 -0.711 16.300 12 HB2 LYS 21 HB2 LYS 21 6.353 -2.690 17.937 13 HB3 LYS 21 HB3 LYS 21 8.110 -2.633 17.861 14 HG2 LYS 21 HG2 LYS 21 6.305 -0.469 19.026 15 HG3 LYS 21 HG3 LYS 21 7.255 -1.648 19.928 16 HD2 LYS 21 HD2 LYS 21 9.345 -0.699 18.883 17 HD3 LYS 21 HD3 LYS 21 8.367 0.593 18.175 18 HE2 LYS 21 HE2 LYS 21 8.587 -0.023 21.159 19 HE3 LYS 21 HE3 LYS 21 9.532 1.205 20.315 20 HZ1 LYS 21 HZ1 LYS 21 7.454 2.346 19.757 21 HZ2 LYS 21 HZ2 LYS 21 7.598 2.187 21.374 22 HZ3 LYS 21 HZ3 LYS 21 6.570 1.220 20.559 23 H GLU 22 H GLU 22 5.255 -2.696 15.431 24 HA GLU 22 HA GLU 22 6.933 -4.385 13.600 25 HB2 GLU 22 HB2 GLU 22 4.222 -4.987 14.850 26 HB3 GLU 22 HB3 GLU 22 5.126 -6.057 13.789 27 HG2 GLU 22 HG2 GLU 22 5.920 -5.188 16.596 28 HG3 GLU 22 HG3 GLU 22 5.330 -6.767 16.105 29 H GLU 23 H GLU 23 5.534 -5.280 11.727 30 HA GLU 23 HA GLU 23 3.767 -3.187 10.524 31 HB2 GLU 23 HB2 GLU 23 6.035 -4.687 9.149 32 HB3 GLU 23 HB3 GLU 23 4.813 -3.698 8.332 33 HG2 GLU 23 HG2 GLU 23 5.576 -1.699 9.574 34 HG3 GLU 23 HG3 GLU 23 6.801 -2.668 10.399 35 H CYS 24 H CYS 24 2.127 -3.969 9.164 36 HA CYS 24 HA CYS 24 1.139 -6.623 9.749 37 HB2 CYS 24 HB2 CYS 24 0.206 -4.714 7.584 38 HB3 CYS 24 HB3 CYS 24 -0.696 -6.046 8.298 39 H THR 25 H THR 25 1.288 -8.487 8.581 40 HA THR 25 HA THR 25 2.954 -8.656 6.168 41 HB THR 25 HB THR 25 2.870 -10.425 7.950 42 HG1 THR 25 HG1 THR 25 3.765 -11.042 6.109 43 HG21 THR 25 HG21 THR 25 0.398 -10.559 8.280 44 HG22 THR 25 HG22 THR 25 1.139 -12.120 7.889 45 HG23 THR 25 HG23 THR 25 0.237 -11.240 6.644 46 H VAL 26 H VAL 26 2.044 -9.923 4.276 47 HA VAL 26 HA VAL 26 -0.344 -8.511 3.234 48 HB VAL 26 HB VAL 26 1.402 -10.467 1.730 49 HG11 VAL 26 HG11 VAL 26 -0.741 -10.003 0.653 50 HG12 VAL 26 HG12 VAL 26 -0.425 -8.250 0.752 51 HG13 VAL 26 HG13 VAL 26 0.588 -9.291 -0.260 52 HG21 VAL 26 HG21 VAL 26 1.680 -7.436 1.975 53 HG22 VAL 26 HG22 VAL 26 2.884 -8.649 2.466 54 HG23 VAL 26 HG23 VAL 26 2.510 -8.420 0.756 55 HA PRO 27 HA PRO 27 -2.795 -12.201 4.164 56 HB2 PRO 27 HB2 PRO 27 -5.205 -11.452 3.162 57 HB3 PRO 27 HB3 PRO 27 -4.457 -10.598 4.543 58 HG2 PRO 27 HG2 PRO 27 -4.364 -9.829 1.614 59 HG3 PRO 27 HG3 PRO 27 -4.827 -8.801 3.004 60 HD2 PRO 27 HD2 PRO 27 -2.278 -8.848 1.943 61 HD3 PRO 27 HD3 PRO 27 -2.583 -8.553 3.683 62 H ILE 28 H ILE 28 -4.473 -13.583 2.873 63 HA ILE 28 HA ILE 28 -3.085 -15.082 0.939 64 HB ILE 28 HB ILE 28 -6.093 -15.025 1.413 65 HG12 ILE 28 HG12 ILE 28 -5.093 -15.287 3.589 66 HG13 ILE 28 HG13 ILE 28 -5.782 -16.808 3.078 67 HG21 ILE 28 HG21 ILE 28 -5.633 -16.397 -0.508 68 HG22 ILE 28 HG22 ILE 28 -4.293 -17.225 0.321 69 HG23 ILE 28 HG23 ILE 28 -5.973 -17.470 0.842 70 HD11 ILE 28 HD11 ILE 28 -3.508 -17.664 2.511 71 HD12 ILE 28 HD12 ILE 28 -2.808 -16.114 3.039 72 HD13 ILE 28 HD13 ILE 28 -3.640 -17.155 4.203 73 H GLY 29 H GLY 29 -3.317 -15.457 -1.230 74 HA2 GLY 29 HA2 GLY 29 -4.128 -15.108 -3.444 75 HA3 GLY 29 HA3 GLY 29 -4.828 -13.561 -2.970 76 H TRP 30 H TRP 30 -2.981 -12.068 -1.961 77 HA TRP 30 HA TRP 30 -0.928 -11.639 -4.020 78 HB2 TRP 30 HB2 TRP 30 -1.510 -10.058 -1.520 79 HB3 TRP 30 HB3 TRP 30 -0.528 -9.540 -2.884 80 HD1 TRP 30 HD1 TRP 30 -2.030 -9.479 -5.317 81 HE1 TRP 30 HE1 TRP 30 -4.356 -8.397 -5.670 82 HE3 TRP 30 HE3 TRP 30 -3.643 -9.594 -0.535 83 HZ2 TRP 30 HZ2 TRP 30 -6.625 -7.663 -4.028 84 HZ3 TRP 30 HZ3 TRP 30 -5.925 -8.702 0.100 85 HH2 TRP 30 HH2 TRP 30 -7.400 -7.739 -1.651 86 H SER 31 H SER 31 1.218 -10.690 -2.909 87 HA SER 31 HA SER 31 2.231 -12.215 -0.637 88 HB2 SER 31 HB2 SER 31 2.660 -13.678 -2.672 89 HB3 SER 31 HB3 SER 31 3.723 -12.396 -3.284 90 HG SER 31 HG SER 31 4.830 -14.042 -2.063 91 H GLU 32 H GLU 32 4.664 -11.500 -0.372 92 HA GLU 32 HA GLU 32 4.657 -8.550 -0.270 93 HB2 GLU 32 HB2 GLU 32 6.749 -8.854 1.076 94 HB3 GLU 32 HB3 GLU 32 5.225 -9.382 1.773 95 HG2 GLU 32 HG2 GLU 32 5.737 -11.711 1.432 96 HG3 GLU 32 HG3 GLU 32 7.159 -11.336 0.462 97 HA PRO 33 HA PRO 33 7.639 -8.453 -3.762 98 HB2 PRO 33 HB2 PRO 33 7.322 -5.839 -4.450 99 HB3 PRO 33 HB3 PRO 33 6.104 -7.080 -4.883 100 HG2 PRO 33 HG2 PRO 33 6.052 -5.148 -2.552 101 HG3 PRO 33 HG3 PRO 33 4.747 -5.534 -3.723 102 HD2 PRO 33 HD2 PRO 33 4.966 -6.712 -1.234 103 HD3 PRO 33 HD3 PRO 33 4.238 -7.528 -2.653 104 H VAL 34 H VAL 34 9.685 -7.479 -3.898 105 HA VAL 34 HA VAL 34 10.709 -6.018 -1.478 106 HB VAL 34 HB VAL 34 12.280 -7.572 -3.563 107 HG11 VAL 34 HG11 VAL 34 14.141 -7.396 -1.918 108 HG12 VAL 34 HG12 VAL 34 13.664 -5.816 -2.535 109 HG13 VAL 34 HG13 VAL 34 13.141 -6.324 -0.913 110 HG21 VAL 34 HG21 VAL 34 12.644 -9.215 -1.729 111 HG22 VAL 34 HG22 VAL 34 11.513 -8.306 -0.700 112 HG23 VAL 34 HG23 VAL 34 10.942 -9.111 -2.179 113 H LYS 35 H LYS 35 10.515 -5.859 -4.989 114 HA LYS 35 HA LYS 35 12.056 -3.460 -5.361 115 HB2 LYS 35 HB2 LYS 35 11.137 -3.383 -7.575 116 HB3 LYS 35 HB3 LYS 35 11.525 -5.051 -7.174 117 HG2 LYS 35 HG2 LYS 35 9.066 -5.456 -6.698 118 HG3 LYS 35 HG3 LYS 35 8.746 -3.784 -7.164 119 HD2 LYS 35 HD2 LYS 35 8.231 -5.030 -9.098 120 HD3 LYS 35 HD3 LYS 35 9.788 -4.279 -9.419 121 HE2 LYS 35 HE2 LYS 35 10.036 -6.463 -10.231 122 HE3 LYS 35 HE3 LYS 35 10.874 -6.496 -8.680 123 HZ1 LYS 35 HZ1 LYS 35 8.851 -7.532 -7.724 124 HZ2 LYS 35 HZ2 LYS 35 9.420 -8.426 -8.963 125 HZ3 LYS 35 HZ3 LYS 35 8.108 -7.486 -9.181 126 H GLY 36 H GLY 36 11.389 -1.356 -5.831 127 HA2 GLY 36 HA2 GLY 36 10.097 0.554 -5.789 128 HA3 GLY 36 HA3 GLY 36 8.679 -0.409 -5.389 129 H LEU 37 H LEU 37 10.722 -1.253 -2.977 130 HA LEU 37 HA LEU 37 9.684 0.696 -1.040 131 HB2 LEU 37 HB2 LEU 37 11.268 -1.887 -0.845 132 HB3 LEU 37 HB3 LEU 37 11.148 -0.792 0.521 133 HG LEU 37 HG LEU 37 8.628 -0.850 0.305 134 HD11 LEU 37 HD11 LEU 37 7.647 -2.892 -0.694 135 HD12 LEU 37 HD12 LEU 37 9.229 -3.318 -1.384 136 HD13 LEU 37 HD13 LEU 37 8.363 -1.862 -1.927 137 HD21 LEU 37 HD21 LEU 37 8.473 -2.946 1.564 138 HD22 LEU 37 HD22 LEU 37 9.880 -2.002 2.065 139 HD23 LEU 37 HD23 LEU 37 10.098 -3.416 1.005 140 H CYS 38 H CYS 38 11.370 1.794 -3.037 141 HA CYS 38 HA CYS 38 14.040 2.367 -2.250 142 HB2 CYS 38 HB2 CYS 38 12.153 3.896 -4.099 143 HB3 CYS 38 HB3 CYS 38 13.924 3.978 -4.092 144 HG CYS 38 HG CYS 38 13.275 2.591 -6.167 145 H LYS 39 H LYS 39 11.791 3.142 -0.267 146 HA LYS 39 HA LYS 39 11.193 4.676 1.280 147 HB2 LYS 39 HB2 LYS 39 13.982 5.798 0.994 148 HB3 LYS 39 HB3 LYS 39 12.960 5.749 2.426 149 HG2 LYS 39 HG2 LYS 39 14.300 3.363 1.085 150 HG3 LYS 39 HG3 LYS 39 14.788 4.147 2.580 151 HD2 LYS 39 HD2 LYS 39 12.709 3.442 3.692 152 HD3 LYS 39 HD3 LYS 39 12.135 2.690 2.187 153 HE2 LYS 39 HE2 LYS 39 14.105 1.194 2.165 154 HE3 LYS 39 HE3 LYS 39 14.690 1.927 3.665 155 HZ1 LYS 39 HZ1 LYS 39 12.138 0.431 3.375 156 HZ2 LYS 39 HZ2 LYS 39 12.665 1.117 4.764 157 HZ3 LYS 39 HZ3 LYS 39 13.486 -0.130 4.105 158 H ALA 40 H ALA 40 11.154 5.683 -1.680 159 HA ALA 40 HA ALA 40 11.077 8.568 -1.509 160 HB1 ALA 40 HB1 ALA 40 9.833 6.678 -3.560 161 HB2 ALA 40 HB2 ALA 40 10.216 8.401 -3.779 162 HB3 ALA 40 HB3 ALA 40 11.526 7.232 -3.580 163 H ARG 41 H ARG 41 9.084 9.793 -2.140 164 HA ARG 41 HA ARG 41 6.732 8.937 -0.481 165 HB2 ARG 41 HB2 ARG 41 7.799 11.739 -0.979 166 HB3 ARG 41 HB3 ARG 41 6.401 11.318 0.014 167 HG2 ARG 41 HG2 ARG 41 7.929 9.902 1.455 168 HG3 ARG 41 HG3 ARG 41 9.306 10.585 0.580 169 HD2 ARG 41 HD2 ARG 41 7.223 12.158 2.154 170 HD3 ARG 41 HD3 ARG 41 8.844 11.737 2.728 171 HE ARG 41 HE ARG 41 9.255 13.107 0.320 172 HH11 ARG 41 HH11 ARG 41 7.880 13.939 3.421 173 HH12 ARG 41 HH12 ARG 41 8.267 15.629 3.249 174 HH21 ARG 41 HH21 ARG 41 9.712 15.269 0.142 175 HH22 ARG 41 HH22 ARG 41 9.284 16.351 1.433 176 H PHE 42 H PHE 42 7.411 9.550 -3.708 177 HA PHE 42 HA PHE 42 4.799 10.680 -4.419 178 HB2 PHE 42 HB2 PHE 42 5.511 10.519 -6.671 179 HB3 PHE 42 HB3 PHE 42 6.883 11.082 -5.737 180 HD1 PHE 42 HD1 PHE 42 8.821 9.537 -5.296 181 HD2 PHE 42 HD2 PHE 42 5.518 8.367 -7.810 182 HE1 PHE 42 HE1 PHE 42 10.174 7.656 -6.216 183 HE2 PHE 42 HE2 PHE 42 6.862 6.480 -8.700 184 HZ PHE 42 HZ PHE 42 9.186 6.123 -7.899 185 H THR 43 H THR 43 6.085 7.425 -4.061 186 HA THR 43 HA THR 43 4.290 5.975 -5.664 187 HB THR 43 HB THR 43 5.559 5.044 -3.062 188 HG1 THR 43 HG1 THR 43 7.244 4.391 -4.463 189 HG21 THR 43 HG21 THR 43 4.591 3.570 -5.563 190 HG22 THR 43 HG22 THR 43 4.017 3.349 -3.891 191 HG23 THR 43 HG23 THR 43 5.645 2.838 -4.343 192 H ARG 44 H ARG 44 2.436 4.730 -5.190 193 HA ARG 44 HA ARG 44 0.574 6.149 -3.371 194 HB2 ARG 44 HB2 ARG 44 0.249 5.645 -5.889 195 HB3 ARG 44 HB3 ARG 44 -0.093 3.989 -5.404 196 HG2 ARG 44 HG2 ARG 44 -2.048 4.693 -4.157 197 HG3 ARG 44 HG3 ARG 44 -1.581 6.389 -4.255 198 HD2 ARG 44 HD2 ARG 44 -2.256 4.740 -6.710 199 HD3 ARG 44 HD3 ARG 44 -3.449 5.695 -5.806 200 HE ARG 44 HE ARG 44 -1.325 7.446 -6.375 201 HH11 ARG 44 HH11 ARG 44 -3.646 5.683 -8.301 202 HH12 ARG 44 HH12 ARG 44 -3.597 6.851 -9.594 203 HH21 ARG 44 HH21 ARG 44 -1.295 8.892 -8.043 204 HH22 ARG 44 HH22 ARG 44 -2.294 8.623 -9.437 205 H TYR 45 H TYR 45 -0.988 4.939 -2.066 206 HA TYR 45 HA TYR 45 0.300 2.573 -0.780 207 HB2 TYR 45 HB2 TYR 45 -1.317 4.741 0.567 208 HB3 TYR 45 HB3 TYR 45 -0.445 3.422 1.339 209 HD1 TYR 45 HD1 TYR 45 2.214 3.640 -0.206 210 HD2 TYR 45 HD2 TYR 45 -0.313 6.593 1.627 211 HE1 TYR 45 HE1 TYR 45 4.185 5.112 0.125 212 HE2 TYR 45 HE2 TYR 45 1.659 8.110 1.884 213 HH TYR 45 HH TYR 45 4.949 7.107 0.918 214 H TYR 46 H TYR 46 -0.819 0.781 -0.682 215 HA TYR 46 HA TYR 46 -3.754 0.847 -1.331 216 HB2 TYR 46 HB2 TYR 46 -1.810 -1.348 -2.066 217 HB3 TYR 46 HB3 TYR 46 -3.474 -1.170 -2.584 218 HD1 TYR 46 HD2 TYR 46 -3.421 1.804 -3.341 219 HD2 TYR 46 HD1 TYR 46 -0.737 -1.451 -4.183 220 HE1 TYR 46 HE2 TYR 46 -2.696 2.934 -5.434 221 HE2 TYR 46 HE1 TYR 46 0.031 -0.285 -6.249 222 HH TYR 46 HH TYR 46 -0.439 1.443 -7.721 223 H CYS 47 H CYS 47 -5.132 -0.146 -0.028 224 HA CYS 47 HA CYS 47 -4.211 -1.349 2.451 225 HB2 CYS 47 HB2 CYS 47 -6.179 0.091 2.410 226 HB3 CYS 47 HB3 CYS 47 -7.007 -1.057 1.344 227 H MET 48 H MET 48 -3.181 -3.203 2.158 228 HA MET 48 HA MET 48 -4.183 -5.508 0.619 229 HB2 MET 48 HB2 MET 48 -1.862 -5.067 2.535 230 HB3 MET 48 HB3 MET 48 -2.283 -6.655 1.898 231 HG2 MET 48 HG2 MET 48 -1.581 -4.262 0.171 232 HG3 MET 48 HG3 MET 48 -0.479 -5.559 0.644 233 HE1 MET 48 HE1 MET 48 -0.708 -6.531 -3.032 234 HE2 MET 48 HE2 MET 48 -0.464 -4.938 -2.275 235 HE3 MET 48 HE3 MET 48 0.328 -6.380 -1.595 236 H GLY 49 H GLY 49 -6.299 -5.478 1.554 237 HA2 GLY 49 HA2 GLY 49 -7.865 -6.760 2.713 238 HA3 GLY 49 HA3 GLY 49 -6.571 -7.459 3.684 239 H ASN 50 H ASN 50 -5.518 -5.707 5.149 240 HA ASN 50 HA ASN 50 -7.709 -4.398 6.750 241 HB2 ASN 50 HB2 ASN 50 -5.359 -6.054 7.770 242 HB3 ASN 50 HB3 ASN 50 -6.515 -5.185 8.774 243 HD21 ASN 50 HD21 ASN 50 -5.825 -8.239 7.678 244 HD22 ASN 50 HD22 ASN 50 -7.463 -8.879 7.761 245 H CYS 51 H CYS 51 -4.160 -4.457 6.364 246 HA CYS 51 HA CYS 51 -3.986 -1.591 7.213 247 HB2 CYS 51 HB2 CYS 51 -1.705 -3.539 6.817 248 HB3 CYS 51 HB3 CYS 51 -1.687 -2.017 7.699 249 H CYS 52 H CYS 52 -2.163 -0.369 5.983 250 HA CYS 52 HA CYS 52 -2.012 -1.179 3.119 251 HB2 CYS 52 HB2 CYS 52 -1.937 1.245 2.558 252 HB3 CYS 52 HB3 CYS 52 -3.488 0.675 3.155 253 H LYS 53 H LYS 53 -0.223 -0.449 1.928 254 HA LYS 53 HA LYS 53 2.226 0.422 3.312 255 HB2 LYS 53 HB2 LYS 53 1.794 -2.308 3.160 256 HB3 LYS 53 HB3 LYS 53 2.608 -2.007 1.627 257 HG2 LYS 53 HG2 LYS 53 4.477 -0.876 2.949 258 HG3 LYS 53 HG3 LYS 53 3.634 -1.398 4.414 259 HD2 LYS 53 HD2 LYS 53 5.264 -3.064 4.036 260 HD3 LYS 53 HD3 LYS 53 3.750 -3.791 3.467 261 HE2 LYS 53 HE2 LYS 53 4.364 -3.171 1.122 262 HE3 LYS 53 HE3 LYS 53 5.873 -2.465 1.713 263 HZ1 LYS 53 HZ1 LYS 53 6.487 -4.683 2.554 264 HZ2 LYS 53 HZ2 LYS 53 6.226 -4.740 0.941 265 HZ3 LYS 53 HZ3 LYS 53 5.098 -5.322 1.978 266 H VAL 54 H VAL 54 4.052 0.507 1.663 267 HA VAL 54 HA VAL 54 3.204 1.940 -0.744 268 HB VAL 54 HB VAL 54 5.072 2.677 0.734 269 HG11 VAL 54 HG11 VAL 54 6.228 0.453 1.054 270 HG12 VAL 54 HG12 VAL 54 6.777 0.564 -0.637 271 HG13 VAL 54 HG13 VAL 54 7.288 1.779 0.544 272 HG21 VAL 54 HG21 VAL 54 4.749 3.483 -1.577 273 HG22 VAL 54 HG22 VAL 54 6.446 3.504 -1.065 274 HG23 VAL 54 HG23 VAL 54 5.873 2.223 -2.151 275 H TYR 55 H TYR 55 2.913 1.172 -2.709 276 HA TYR 55 HA TYR 55 4.327 -1.277 -3.621 277 HB2 TYR 55 HB2 TYR 55 1.325 -0.892 -3.622 278 HB3 TYR 55 HB3 TYR 55 2.155 -2.182 -4.476 279 HD1 TYR 55 HD1 TYR 55 3.835 -3.612 -2.890 280 HD2 TYR 55 HD2 TYR 55 0.387 -1.402 -1.544 281 HE1 TYR 55 HE1 TYR 55 3.725 -5.004 -0.802 282 HE2 TYR 55 HE2 TYR 55 0.274 -2.807 0.501 283 HH TYR 55 HH TYR 55 1.285 -4.495 1.721 284 H GLU 56 H GLU 56 5.356 -0.588 -5.404 285 HA GLU 56 HA GLU 56 4.210 1.379 -7.280 286 HB2 GLU 56 HB2 GLU 56 6.678 -0.403 -7.458 287 HB3 GLU 56 HB3 GLU 56 6.170 0.775 -8.681 288 HG2 GLU 56 HG2 GLU 56 6.319 2.563 -6.906 289 HG3 GLU 56 HG3 GLU 56 7.075 1.370 -5.838 290 H GLY 57 H GLY 57 2.279 0.536 -8.140 291 HA2 GLY 57 HA2 GLY 57 2.533 -1.120 -10.435 292 HA3 GLY 57 HA3 GLY 57 1.867 -2.107 -9.130 293 H CYS 58 H CYS 58 0.436 -1.781 -11.398 294 HA CYS 58 HA CYS 58 -1.486 0.373 -11.333 295 HB2 CYS 58 HB2 CYS 58 -1.699 -2.318 -12.737 296 HB3 CYS 58 HB3 CYS 58 -2.594 -0.848 -13.115 297 HG CYS 58 HG CYS 58 -0.522 0.628 -13.765 298 H TYR 59 H TYR 59 -2.658 0.532 -9.474 299 HA TYR 59 HA TYR 59 -4.535 -1.700 -8.822 300 HB2 TYR 59 HB2 TYR 59 -2.447 -1.336 -7.278 301 HB3 TYR 59 HB3 TYR 59 -3.374 0.016 -6.651 302 HD1 TYR 59 HD2 TYR 59 -6.160 -1.076 -6.545 303 HD2 TYR 59 HD1 TYR 59 -2.359 -2.875 -5.548 304 HE1 TYR 59 HE2 TYR 59 -7.308 -2.620 -5.012 305 HE2 TYR 59 HE1 TYR 59 -3.517 -4.398 -3.952 306 HH TYR 59 HH TYR 59 -7.073 -4.319 -3.492 307 H THR 60 H THR 60 -6.221 -0.807 -9.863 308 HA THR 60 HA THR 60 -7.044 1.754 -10.220 309 HB THR 60 HB THR 60 -8.948 -0.547 -9.665 310 HG1 THR 60 HG1 THR 60 -8.655 -0.977 -11.884 311 HG21 THR 60 HG21 THR 60 -10.329 0.529 -11.432 312 HG22 THR 60 HG22 THR 60 -9.158 1.862 -11.540 313 HG23 THR 60 HG23 THR 60 -10.106 1.615 -10.055 314 H GLY 61 H GLY 61 -8.096 -0.201 -7.410 315 HA2 GLY 61 HA2 GLY 61 -9.352 2.146 -6.083 316 HA3 GLY 61 HA3 GLY 61 -9.462 0.459 -5.593 317 H GLY 62 H GLY 62 -7.210 3.203 -5.779 318 HA2 GLY 62 HA2 GLY 62 -5.797 2.273 -3.293 319 HA3 GLY 62 HA3 GLY 62 -4.931 2.879 -4.710 320 H TYR 63 H TYR 63 -4.307 4.078 -2.426 321 HA TYR 63 HA TYR 63 -5.758 6.696 -2.377 322 HB2 TYR 63 HB2 TYR 63 -4.524 5.186 -0.076 323 HB3 TYR 63 HB3 TYR 63 -5.362 6.721 0.036 324 HD1 TYR 63 HD1 TYR 63 -7.855 6.825 -0.262 325 HD2 TYR 63 HD2 TYR 63 -5.708 3.082 -0.150 326 HE1 TYR 63 HE1 TYR 63 -9.987 5.617 0.169 327 HE2 TYR 63 HE2 TYR 63 -7.857 1.873 0.289 328 HH TYR 63 HH TYR 63 -10.998 3.568 0.400 329 H SER 64 H SER 64 -4.540 8.502 -2.476 330 HA SER 64 HA SER 64 -1.658 8.358 -2.906 331 HB2 SER 64 HB2 SER 64 -1.910 10.798 -3.284 332 HB3 SER 64 HB3 SER 64 -3.016 9.819 -4.260 333 HG SER 64 HG SER 64 -4.090 11.598 -3.279 334 H ARG 65 H ARG 65 -3.474 8.591 -0.065 335 HA ARG 65 HA ARG 65 -1.222 9.883 1.441 336 HB2 ARG 65 HB2 ARG 65 -4.216 10.257 1.861 337 HB3 ARG 65 HB3 ARG 65 -2.987 10.843 2.970 338 HG2 ARG 65 HG2 ARG 65 -3.255 11.736 0.064 339 HG3 ARG 65 HG3 ARG 65 -3.881 12.599 1.472 340 HD2 ARG 65 HD2 ARG 65 -1.587 12.789 2.393 341 HD3 ARG 65 HD3 ARG 65 -0.942 11.981 0.951 342 HE ARG 65 HE ARG 65 -2.479 14.119 -0.009 343 HH11 ARG 65 HH11 ARG 65 0.415 13.871 1.934 344 HH12 ARG 65 HH12 ARG 65 1.014 15.419 1.400 345 HH21 ARG 65 HH21 ARG 65 -1.675 16.066 -0.654 346 HH22 ARG 65 HH22 ARG 65 -0.150 16.625 -0.036 347 H MET 66 H MET 66 -0.567 9.023 3.229 348 HA MET 66 HA MET 66 -1.157 6.307 3.897 349 HB2 MET 66 HB2 MET 66 1.018 7.477 4.211 350 HB3 MET 66 HB3 MET 66 0.303 8.439 5.493 351 HG2 MET 66 HG2 MET 66 1.601 6.612 6.433 352 HG3 MET 66 HG3 MET 66 -0.099 6.421 6.831 353 HE1 MET 66 HE1 MET 66 3.023 4.982 4.992 354 HE2 MET 66 HE2 MET 66 2.331 3.730 3.930 355 HE3 MET 66 HE3 MET 66 2.050 5.448 3.577 356 H GLY 67 H GLY 67 -2.340 9.374 5.236 357 HA2 GLY 67 HA2 GLY 67 -3.711 8.253 7.527 358 HA3 GLY 67 HA3 GLY 67 -4.021 9.830 6.788 359 H GLU 68 H GLU 68 -4.677 8.820 4.168 360 HA GLU 68 HA GLU 68 -7.477 8.096 4.540 361 HB2 GLU 68 HB2 GLU 68 -5.774 8.390 2.046 362 HB3 GLU 68 HB3 GLU 68 -7.483 7.981 2.023 363 HG2 GLU 68 HG2 GLU 68 -6.277 10.532 3.167 364 HG3 GLU 68 HG3 GLU 68 -7.117 10.381 1.628 365 H CYS 69 H CYS 69 -4.598 6.303 3.264 366 HA CYS 69 HA CYS 69 -6.133 3.986 2.591 367 HB2 CYS 69 HB2 CYS 69 -4.123 2.901 2.146 368 HB3 CYS 69 HB3 CYS 69 -3.851 4.586 1.759 369 H ALA 70 H ALA 70 -4.889 5.044 5.643 370 HA ALA 70 HA ALA 70 -5.426 2.554 7.078 371 HB1 ALA 70 HB1 ALA 70 -4.821 5.417 7.976 372 HB2 ALA 70 HB2 ALA 70 -4.903 3.997 9.050 373 HB3 ALA 70 HB3 ALA 70 -3.653 4.097 7.790 374 H ARG 71 H ARG 71 -6.962 5.841 7.271 375 HA ARG 71 HA ARG 71 -9.006 4.929 9.011 376 HB2 ARG 71 HB2 ARG 71 -9.960 7.080 8.895 377 HB3 ARG 71 HB3 ARG 71 -8.220 7.287 8.730 378 HG2 ARG 71 HG2 ARG 71 -8.617 7.405 6.188 379 HG3 ARG 71 HG3 ARG 71 -10.344 7.432 6.533 380 HD2 ARG 71 HD2 ARG 71 -9.579 9.688 6.173 381 HD3 ARG 71 HD3 ARG 71 -10.068 9.495 7.865 382 HE ARG 71 HE ARG 71 -7.269 8.970 7.637 383 HH11 ARG 71 HH11 ARG 71 -9.298 11.761 7.184 384 HH12 ARG 71 HH12 ARG 71 -8.127 12.870 7.847 385 HH21 ARG 71 HH21 ARG 71 -5.838 10.400 8.591 386 HH22 ARG 71 HH22 ARG 71 -6.182 12.103 8.564 387 H ASN 72 H ASN 72 -9.053 4.872 5.526 388 HA ASN 72 HA ASN 72 -11.940 4.267 5.375 389 HB2 ASN 72 HB2 ASN 72 -9.743 4.225 3.266 390 HB3 ASN 72 HB3 ASN 72 -11.449 3.924 2.958 391 HD21 ASN 72 HD21 ASN 72 -9.086 6.338 3.415 392 HD22 ASN 72 HD22 ASN 72 -10.120 7.755 3.229 393 H CYS 73 H CYS 73 -9.287 2.401 6.311 394 HA CYS 73 HA CYS 73 -10.597 -0.160 5.513 395 HB2 CYS 73 HB2 CYS 73 -7.852 0.798 5.228 396 HB3 CYS 73 HB3 CYS 73 -7.920 -0.655 6.198 397 HA PRO 74 HA PRO 74 -11.314 -1.134 9.627 398 HB2 PRO 74 HB2 PRO 74 -11.028 -3.830 9.868 399 HB3 PRO 74 HB3 PRO 74 -12.246 -3.075 8.795 400 HG2 PRO 74 HG2 PRO 74 -9.498 -4.107 8.048 401 HG3 PRO 74 HG3 PRO 74 -11.062 -4.472 7.250 402 HD2 PRO 74 HD2 PRO 74 -9.379 -2.549 6.318 403 HD3 PRO 74 HD3 PRO 74 -11.154 -2.335 6.251 404 H GLY 75 H GLY 75 -8.077 -1.768 8.621 405 HA2 GLY 75 HA2 GLY 75 -6.028 -2.025 9.685 406 HA3 GLY 75 HA3 GLY 75 -6.676 -0.860 10.833 Start of MODEL 11 1 H1 GLY 19 H1 GLY 19 10.218 -1.862 16.769 2 H2 GLY 19 H2 GLY 19 9.368 -2.218 18.125 3 H3 GLY 19 H3 GLY 19 10.702 -1.276 18.218 4 HA2 GLY 19 HA2 GLY 19 12.137 -3.077 17.585 5 HA3 GLY 19 HA3 GLY 19 11.194 -3.499 19.022 6 H ASP 20 H ASP 20 10.405 -5.523 18.949 7 HA ASP 20 HA ASP 20 10.259 -6.952 16.383 8 HB2 ASP 20 HB2 ASP 20 10.580 -8.908 17.676 9 HB3 ASP 20 HB3 ASP 20 11.717 -7.697 18.245 10 H LYS 21 H LYS 21 7.974 -5.269 17.798 11 HA LYS 21 HA LYS 21 5.693 -6.962 18.196 12 HB2 LYS 21 HB2 LYS 21 5.903 -4.075 17.225 13 HB3 LYS 21 HB3 LYS 21 4.391 -4.863 17.676 14 HG2 LYS 21 HG2 LYS 21 5.162 -5.173 19.983 15 HG3 LYS 21 HG3 LYS 21 6.749 -4.512 19.575 16 HD2 LYS 21 HD2 LYS 21 5.492 -2.801 20.690 17 HD3 LYS 21 HD3 LYS 21 5.700 -2.330 18.999 18 HE2 LYS 21 HE2 LYS 21 3.384 -3.127 18.507 19 HE3 LYS 21 HE3 LYS 21 3.195 -3.602 20.201 20 HZ1 LYS 21 HZ1 LYS 21 3.659 -0.823 19.248 21 HZ2 LYS 21 HZ2 LYS 21 3.486 -1.257 20.815 22 HZ3 LYS 21 HZ3 LYS 21 2.235 -1.412 19.781 23 H GLU 22 H GLU 22 3.790 -7.122 16.861 24 HA GLU 22 HA GLU 22 4.251 -8.053 14.156 25 HB2 GLU 22 HB2 GLU 22 1.676 -7.367 15.636 26 HB3 GLU 22 HB3 GLU 22 1.754 -8.133 14.045 27 HG2 GLU 22 HG2 GLU 22 3.033 -10.033 15.020 28 HG3 GLU 22 HG3 GLU 22 2.891 -9.304 16.621 29 H GLU 23 H GLU 23 3.531 -7.174 12.188 30 HA GLU 23 HA GLU 23 2.787 -4.304 12.027 31 HB2 GLU 23 HB2 GLU 23 5.165 -5.630 10.651 32 HB3 GLU 23 HB3 GLU 23 4.500 -4.093 10.136 33 HG2 GLU 23 HG2 GLU 23 5.741 -4.657 12.858 34 HG3 GLU 23 HG3 GLU 23 6.510 -3.829 11.515 35 H CYS 24 H CYS 24 2.213 -3.721 9.719 36 HA CYS 24 HA CYS 24 0.275 -5.613 8.685 37 HB2 CYS 24 HB2 CYS 24 0.251 -2.998 8.676 38 HB3 CYS 24 HB3 CYS 24 1.234 -3.146 7.219 39 H THR 25 H THR 25 0.544 -7.158 7.149 40 HA THR 25 HA THR 25 2.894 -7.127 5.307 41 HB THR 25 HB THR 25 3.172 -9.569 5.708 42 HG1 THR 25 HG1 THR 25 2.267 -10.416 7.614 43 HG21 THR 25 HG21 THR 25 4.397 -9.430 7.790 44 HG22 THR 25 HG22 THR 25 3.540 -7.947 8.255 45 HG23 THR 25 HG23 THR 25 4.646 -7.941 6.863 46 H VAL 26 H VAL 26 2.700 -8.907 3.627 47 HA VAL 26 HA VAL 26 0.237 -8.556 2.182 48 HB VAL 26 HB VAL 26 2.320 -10.651 1.530 49 HG11 VAL 26 HG11 VAL 26 0.298 -10.749 0.204 50 HG12 VAL 26 HG12 VAL 26 0.479 -9.029 -0.243 51 HG13 VAL 26 HG13 VAL 26 1.665 -10.237 -0.777 52 HG21 VAL 26 HG21 VAL 26 2.373 -7.678 0.837 53 HG22 VAL 26 HG22 VAL 26 3.587 -8.551 1.805 54 HG23 VAL 26 HG23 VAL 26 3.412 -8.900 0.090 55 HA PRO 27 HA PRO 27 -1.924 -12.054 4.063 56 HB2 PRO 27 HB2 PRO 27 -4.040 -12.294 2.311 57 HB3 PRO 27 HB3 PRO 27 -3.886 -10.982 3.517 58 HG2 PRO 27 HG2 PRO 27 -3.166 -10.885 0.568 59 HG3 PRO 27 HG3 PRO 27 -4.081 -9.688 1.528 60 HD2 PRO 27 HD2 PRO 27 -1.417 -9.448 0.990 61 HD3 PRO 27 HD3 PRO 27 -2.114 -8.876 2.535 62 H ILE 28 H ILE 28 -2.470 -14.269 3.653 63 HA ILE 28 HA ILE 28 -0.603 -15.693 1.990 64 HB ILE 28 HB ILE 28 -3.107 -16.698 3.387 65 HG12 ILE 28 HG12 ILE 28 -0.174 -16.771 4.266 66 HG13 ILE 28 HG13 ILE 28 -1.381 -15.659 4.904 67 HG21 ILE 28 HG21 ILE 28 -2.396 -18.277 1.618 68 HG22 ILE 28 HG22 ILE 28 -0.735 -18.262 2.259 69 HG23 ILE 28 HG23 ILE 28 -2.075 -18.952 3.197 70 HD11 ILE 28 HD11 ILE 28 -1.121 -17.398 6.499 71 HD12 ILE 28 HD12 ILE 28 -2.712 -17.612 5.743 72 HD13 ILE 28 HD13 ILE 28 -1.347 -18.666 5.290 73 H GLY 29 H GLY 29 -0.786 -16.573 0.052 74 HA2 GLY 29 HA2 GLY 29 -1.680 -17.317 -1.971 75 HA3 GLY 29 HA3 GLY 29 -3.283 -16.796 -1.470 76 H TRP 30 H TRP 30 -1.687 -13.958 -0.982 77 HA TRP 30 HA TRP 30 -2.319 -12.846 -3.578 78 HB2 TRP 30 HB2 TRP 30 -2.035 -11.927 -0.953 79 HB3 TRP 30 HB3 TRP 30 -0.631 -11.270 -1.748 80 HD1 TRP 30 HD1 TRP 30 -4.458 -11.465 -2.363 81 HE1 TRP 30 HE1 TRP 30 -5.264 -9.232 -3.372 82 HE3 TRP 30 HE3 TRP 30 0.024 -9.070 -2.665 83 HZ2 TRP 30 HZ2 TRP 30 -4.094 -6.735 -4.225 84 HZ3 TRP 30 HZ3 TRP 30 0.171 -6.746 -3.605 85 HH2 TRP 30 HH2 TRP 30 -1.879 -5.583 -4.369 86 H SER 31 H SER 31 -0.634 -11.332 -4.582 87 HA SER 31 HA SER 31 1.936 -12.806 -5.050 88 HB2 SER 31 HB2 SER 31 0.397 -12.660 -6.967 89 HB3 SER 31 HB3 SER 31 0.501 -10.892 -6.912 90 HG SER 31 HG SER 31 2.677 -11.022 -7.417 91 H GLU 32 H GLU 32 3.119 -11.929 -3.435 92 HA GLU 32 HA GLU 32 3.152 -9.275 -2.550 93 HB2 GLU 32 HB2 GLU 32 5.152 -9.796 -1.325 94 HB3 GLU 32 HB3 GLU 32 3.939 -11.041 -1.217 95 HG2 GLU 32 HG2 GLU 32 5.778 -12.336 -1.371 96 HG3 GLU 32 HG3 GLU 32 5.286 -12.306 -3.052 97 HA PRO 33 HA PRO 33 5.371 -7.418 -6.021 98 HB2 PRO 33 HB2 PRO 33 4.905 -4.795 -5.527 99 HB3 PRO 33 HB3 PRO 33 3.626 -5.915 -6.080 100 HG2 PRO 33 HG2 PRO 33 4.224 -5.042 -3.238 101 HG3 PRO 33 HG3 PRO 33 2.637 -5.063 -4.075 102 HD2 PRO 33 HD2 PRO 33 3.488 -7.077 -2.419 103 HD3 PRO 33 HD3 PRO 33 2.455 -7.385 -3.847 104 H VAL 34 H VAL 34 7.427 -8.136 -5.440 105 HA VAL 34 HA VAL 34 9.101 -6.859 -3.451 106 HB VAL 34 HB VAL 34 9.399 -9.168 -4.276 107 HG11 VAL 34 HG11 VAL 34 10.594 -9.646 -6.338 108 HG12 VAL 34 HG12 VAL 34 9.085 -8.808 -6.713 109 HG13 VAL 34 HG13 VAL 34 10.632 -7.929 -6.773 110 HG21 VAL 34 HG21 VAL 34 11.802 -9.212 -4.195 111 HG22 VAL 34 HG22 VAL 34 11.913 -7.499 -4.639 112 HG23 VAL 34 HG23 VAL 34 11.212 -7.973 -3.076 113 H LYS 35 H LYS 35 8.330 -6.030 -6.708 114 HA LYS 35 HA LYS 35 10.507 -4.228 -7.353 115 HB2 LYS 35 HB2 LYS 35 7.592 -4.309 -8.248 116 HB3 LYS 35 HB3 LYS 35 8.823 -3.309 -9.007 117 HG2 LYS 35 HG2 LYS 35 8.885 -6.371 -8.949 118 HG3 LYS 35 HG3 LYS 35 8.219 -5.382 -10.235 119 HD2 LYS 35 HD2 LYS 35 10.270 -5.847 -11.104 120 HD3 LYS 35 HD3 LYS 35 10.579 -4.273 -10.371 121 HE2 LYS 35 HE2 LYS 35 11.582 -5.456 -8.383 122 HE3 LYS 35 HE3 LYS 35 11.237 -7.004 -9.157 123 HZ1 LYS 35 HZ1 LYS 35 13.041 -4.916 -10.267 124 HZ2 LYS 35 HZ2 LYS 35 12.731 -6.358 -10.969 125 HZ3 LYS 35 HZ3 LYS 35 13.531 -6.298 -9.551 126 H GLY 36 H GLY 36 10.509 -1.951 -7.400 127 HA2 GLY 36 HA2 GLY 36 10.153 0.196 -6.581 128 HA3 GLY 36 HA3 GLY 36 8.580 -0.324 -5.989 129 H LEU 37 H LEU 37 11.630 -1.810 -4.979 130 HA LEU 37 HA LEU 37 11.105 -1.358 -2.165 131 HB2 LEU 37 HB2 LEU 37 12.140 -3.413 -3.282 132 HB3 LEU 37 HB3 LEU 37 13.605 -2.462 -3.481 133 HG LEU 37 HG LEU 37 13.559 -2.152 -0.897 134 HD11 LEU 37 HD11 LEU 37 11.211 -2.844 -0.504 135 HD12 LEU 37 HD12 LEU 37 12.343 -3.891 0.358 136 HD13 LEU 37 HD13 LEU 37 11.580 -4.461 -1.142 137 HD21 LEU 37 HD21 LEU 37 14.561 -4.366 -0.509 138 HD22 LEU 37 HD22 LEU 37 15.117 -3.674 -2.040 139 HD23 LEU 37 HD23 LEU 37 13.884 -4.954 -2.046 140 H CYS 38 H CYS 38 11.061 1.069 -2.776 141 HA CYS 38 HA CYS 38 13.440 2.341 -1.600 142 HB2 CYS 38 HB2 CYS 38 13.718 3.980 -3.413 143 HB3 CYS 38 HB3 CYS 38 13.943 2.340 -4.022 144 HG CYS 38 HG CYS 38 11.484 2.051 -4.940 145 H LYS 39 H LYS 39 13.044 4.771 -1.375 146 HA LYS 39 HA LYS 39 10.202 5.489 -0.758 147 HB2 LYS 39 HB2 LYS 39 12.609 5.631 1.093 148 HB3 LYS 39 HB3 LYS 39 11.196 6.620 1.366 149 HG2 LYS 39 HG2 LYS 39 10.541 3.738 1.019 150 HG3 LYS 39 HG3 LYS 39 11.641 4.070 2.340 151 HD2 LYS 39 HD2 LYS 39 9.470 4.052 3.237 152 HD3 LYS 39 HD3 LYS 39 9.999 5.725 3.286 153 HE2 LYS 39 HE2 LYS 39 8.299 4.620 1.006 154 HE3 LYS 39 HE3 LYS 39 7.563 5.110 2.532 155 HZ1 LYS 39 HZ1 LYS 39 9.191 6.967 0.889 156 HZ2 LYS 39 HZ2 LYS 39 8.298 7.342 2.208 157 HZ3 LYS 39 HZ3 LYS 39 7.580 6.881 0.805 158 H ALA 40 H ALA 40 10.401 6.590 -2.803 159 HA ALA 40 HA ALA 40 11.969 9.069 -2.937 160 HB1 ALA 40 HB1 ALA 40 9.582 8.156 -4.595 161 HB2 ALA 40 HB2 ALA 40 10.671 9.514 -4.957 162 HB3 ALA 40 HB3 ALA 40 11.293 7.856 -4.985 163 H ARG 41 H ARG 41 10.583 11.089 -3.480 164 HA ARG 41 HA ARG 41 8.986 11.968 -1.207 165 HB2 ARG 41 HB2 ARG 41 9.483 13.213 -3.959 166 HB3 ARG 41 HB3 ARG 41 8.637 13.989 -2.630 167 HG2 ARG 41 HG2 ARG 41 10.695 14.910 -2.448 168 HG3 ARG 41 HG3 ARG 41 10.772 13.646 -1.228 169 HD2 ARG 41 HD2 ARG 41 11.850 13.135 -4.015 170 HD3 ARG 41 HD3 ARG 41 12.759 14.164 -2.902 171 HE ARG 41 HE ARG 41 12.184 11.870 -1.423 172 HH11 ARG 41 HH11 ARG 41 14.125 12.645 -4.219 173 HH12 ARG 41 HH12 ARG 41 15.255 11.354 -3.918 174 HH21 ARG 41 HH21 ARG 41 13.630 10.192 -1.106 175 HH22 ARG 41 HH22 ARG 41 14.978 10.027 -2.185 176 H PHE 42 H PHE 42 8.181 10.155 -3.908 177 HA PHE 42 HA PHE 42 5.251 10.593 -3.646 178 HB2 PHE 42 HB2 PHE 42 5.169 10.029 -6.109 179 HB3 PHE 42 HB3 PHE 42 5.768 11.615 -5.675 180 HD1 PHE 42 HD2 PHE 42 8.143 12.239 -5.964 181 HD2 PHE 42 HD1 PHE 42 6.666 8.383 -7.210 182 HE1 PHE 42 HE2 PHE 42 10.206 11.877 -7.296 183 HE2 PHE 42 HE1 PHE 42 8.726 8.028 -8.545 184 HZ PHE 42 HZ PHE 42 10.502 9.769 -8.582 185 H THR 43 H THR 43 4.604 8.922 -2.542 186 HA THR 43 HA THR 43 5.469 6.119 -3.198 187 HB THR 43 HB THR 43 4.869 7.201 -0.418 188 HG1 THR 43 HG1 THR 43 6.866 8.000 -1.407 189 HG21 THR 43 HG21 THR 43 6.075 5.146 0.313 190 HG22 THR 43 HG22 THR 43 6.127 4.592 -1.373 191 HG23 THR 43 HG23 THR 43 4.575 4.793 -0.519 192 H ARG 44 H ARG 44 3.805 4.459 -2.633 193 HA ARG 44 HA ARG 44 1.020 5.539 -2.319 194 HB2 ARG 44 HB2 ARG 44 2.022 3.218 -4.016 195 HB3 ARG 44 HB3 ARG 44 0.397 3.248 -3.365 196 HG2 ARG 44 HG2 ARG 44 0.089 4.088 -5.436 197 HG3 ARG 44 HG3 ARG 44 0.084 5.536 -4.446 198 HD2 ARG 44 HD2 ARG 44 2.337 6.108 -5.126 199 HD3 ARG 44 HD3 ARG 44 2.570 4.523 -5.896 200 HE ARG 44 HE ARG 44 0.361 5.567 -7.168 201 HH11 ARG 44 HH11 ARG 44 3.666 6.662 -6.857 202 HH12 ARG 44 HH12 ARG 44 3.612 7.567 -8.346 203 HH21 ARG 44 HH21 ARG 44 0.362 6.687 -9.081 204 HH22 ARG 44 HH22 ARG 44 1.773 7.579 -9.572 205 H TYR 45 H TYR 45 -0.473 4.109 -1.356 206 HA TYR 45 HA TYR 45 0.546 2.175 0.622 207 HB2 TYR 45 HB2 TYR 45 -1.039 4.606 1.530 208 HB3 TYR 45 HB3 TYR 45 -0.416 3.301 2.535 209 HD1 TYR 45 HD2 TYR 45 2.042 3.102 2.993 210 HD2 TYR 45 HD1 TYR 45 0.364 6.482 0.906 211 HE1 TYR 45 HE2 TYR 45 4.165 4.374 3.321 212 HE2 TYR 45 HE1 TYR 45 2.489 7.732 1.213 213 HH TYR 45 HH TYR 45 4.569 7.732 2.183 214 H TYR 46 H TYR 46 -0.889 0.516 0.836 215 HA TYR 46 HA TYR 46 -3.731 0.868 -0.069 216 HB2 TYR 46 HB2 TYR 46 -1.748 -1.229 -1.002 217 HB3 TYR 46 HB3 TYR 46 -3.471 -1.457 -1.099 218 HD1 TYR 46 HD1 TYR 46 -0.710 0.747 -2.340 219 HD2 TYR 46 HD2 TYR 46 -4.764 -0.622 -2.875 220 HE1 TYR 46 HE1 TYR 46 -0.795 1.849 -4.578 221 HE2 TYR 46 HE2 TYR 46 -4.828 0.467 -5.111 222 HH TYR 46 HH TYR 46 -2.241 2.617 -6.217 223 H CYS 47 H CYS 47 -5.241 -0.264 1.017 224 HA CYS 47 HA CYS 47 -4.469 -1.547 3.541 225 HB2 CYS 47 HB2 CYS 47 -6.359 0.058 3.455 226 HB3 CYS 47 HB3 CYS 47 -7.243 -1.092 2.438 227 H MET 48 H MET 48 -3.977 -3.561 3.708 228 HA MET 48 HA MET 48 -4.694 -5.526 1.603 229 HB2 MET 48 HB2 MET 48 -2.832 -5.736 4.002 230 HB3 MET 48 HB3 MET 48 -3.033 -6.946 2.737 231 HG2 MET 48 HG2 MET 48 -1.928 -4.140 2.414 232 HG3 MET 48 HG3 MET 48 -1.036 -5.649 2.317 233 HE1 MET 48 HE1 MET 48 -2.736 -7.573 0.446 234 HE2 MET 48 HE2 MET 48 -2.086 -7.131 -1.129 235 HE3 MET 48 HE3 MET 48 -0.990 -7.256 0.257 236 H GLY 49 H GLY 49 -5.978 -4.659 4.619 237 HA2 GLY 49 HA2 GLY 49 -8.097 -6.513 4.537 238 HA3 GLY 49 HA3 GLY 49 -6.897 -7.204 5.633 239 H ASN 50 H ASN 50 -6.424 -6.128 7.595 240 HA ASN 50 HA ASN 50 -8.455 -4.196 8.574 241 HB2 ASN 50 HB2 ASN 50 -6.128 -5.596 9.965 242 HB3 ASN 50 HB3 ASN 50 -7.249 -4.487 10.751 243 HD21 ASN 50 HD21 ASN 50 -6.680 -7.722 10.469 244 HD22 ASN 50 HD22 ASN 50 -8.344 -8.263 10.644 245 H CYS 51 H CYS 51 -5.091 -4.217 7.584 246 HA CYS 51 HA CYS 51 -4.699 -1.352 8.342 247 HB2 CYS 51 HB2 CYS 51 -2.369 -2.016 8.849 248 HB3 CYS 51 HB3 CYS 51 -3.534 -2.894 9.829 249 H CYS 52 H CYS 52 -2.925 -0.286 7.091 250 HA CYS 52 HA CYS 52 -2.524 -1.462 4.394 251 HB2 CYS 52 HB2 CYS 52 -2.211 0.825 3.515 252 HB3 CYS 52 HB3 CYS 52 -3.852 0.421 3.980 253 H LYS 53 H LYS 53 -0.666 -1.155 3.338 254 HA LYS 53 HA LYS 53 1.794 -0.628 4.979 255 HB2 LYS 53 HB2 LYS 53 1.068 -3.140 4.288 256 HB3 LYS 53 HB3 LYS 53 1.772 -2.657 2.756 257 HG2 LYS 53 HG2 LYS 53 3.860 -1.943 4.234 258 HG3 LYS 53 HG3 LYS 53 3.086 -2.937 5.459 259 HD2 LYS 53 HD2 LYS 53 4.624 -4.364 4.374 260 HD3 LYS 53 HD3 LYS 53 3.053 -4.827 3.684 261 HE2 LYS 53 HE2 LYS 53 3.491 -3.525 1.667 262 HE3 LYS 53 HE3 LYS 53 4.931 -2.802 2.382 263 HZ1 LYS 53 HZ1 LYS 53 5.515 -4.597 0.875 264 HZ2 LYS 53 HZ2 LYS 53 4.653 -5.687 1.738 265 HZ3 LYS 53 HZ3 LYS 53 5.981 -4.988 2.387 266 H VAL 54 H VAL 54 3.702 -0.176 3.603 267 HA VAL 54 HA VAL 54 3.182 1.769 1.502 268 HB VAL 54 HB VAL 54 5.075 1.864 3.154 269 HG11 VAL 54 HG11 VAL 54 7.173 0.767 2.698 270 HG12 VAL 54 HG12 VAL 54 5.944 -0.500 2.875 271 HG13 VAL 54 HG13 VAL 54 6.528 -0.028 1.255 272 HG21 VAL 54 HG21 VAL 54 4.919 3.265 1.160 273 HG22 VAL 54 HG22 VAL 54 6.602 2.910 1.592 274 HG23 VAL 54 HG23 VAL 54 5.843 2.076 0.219 275 H TYR 55 H TYR 55 3.288 1.591 -0.631 276 HA TYR 55 HA TYR 55 4.418 -0.757 -1.985 277 HB2 TYR 55 HB2 TYR 55 1.509 0.086 -2.342 278 HB3 TYR 55 HB3 TYR 55 2.355 -1.033 -3.398 279 HD1 TYR 55 HD2 TYR 55 3.407 -3.134 -2.375 280 HD2 TYR 55 HD1 TYR 55 0.439 -0.770 -0.359 281 HE1 TYR 55 HE2 TYR 55 2.911 -5.061 -0.851 282 HE2 TYR 55 HE1 TYR 55 -0.068 -2.706 1.158 283 HH TYR 55 HH TYR 55 1.634 -5.821 0.862 284 H GLU 56 H GLU 56 4.094 -0.317 -4.507 285 HA GLU 56 HA GLU 56 4.279 2.567 -5.132 286 HB2 GLU 56 HB2 GLU 56 6.407 0.484 -5.741 287 HB3 GLU 56 HB3 GLU 56 6.278 1.967 -6.673 288 HG2 GLU 56 HG2 GLU 56 6.723 1.901 -3.650 289 HG3 GLU 56 HG3 GLU 56 7.985 2.011 -4.867 290 H GLY 57 H GLY 57 4.073 3.092 -7.329 291 HA2 GLY 57 HA2 GLY 57 2.920 3.050 -9.333 292 HA3 GLY 57 HA3 GLY 57 2.937 1.284 -9.294 293 H CYS 58 H CYS 58 0.767 2.271 -10.302 294 HA CYS 58 HA CYS 58 -1.380 2.535 -8.265 295 HB2 CYS 58 HB2 CYS 58 -1.392 2.803 -11.295 296 HB3 CYS 58 HB3 CYS 58 -2.805 3.006 -10.243 297 HG CYS 58 HG CYS 58 -1.908 5.368 -10.987 298 H TYR 59 H TYR 59 -1.272 0.418 -7.391 299 HA TYR 59 HA TYR 59 -1.480 -1.977 -8.983 300 HB2 TYR 59 HB2 TYR 59 -0.515 -1.594 -6.598 301 HB3 TYR 59 HB3 TYR 59 -2.150 -1.846 -6.032 302 HD1 TYR 59 HD1 TYR 59 -3.266 -4.098 -7.468 303 HD2 TYR 59 HD2 TYR 59 0.862 -3.420 -6.359 304 HE1 TYR 59 HE1 TYR 59 -2.812 -6.511 -7.678 305 HE2 TYR 59 HE2 TYR 59 1.290 -5.862 -6.532 306 HH TYR 59 HH TYR 59 -1.260 -8.176 -7.534 307 H THR 60 H THR 60 -3.232 -1.602 -10.348 308 HA THR 60 HA THR 60 -5.340 -1.711 -11.160 309 HB THR 60 HB THR 60 -6.384 -2.941 -8.605 310 HG1 THR 60 HG1 THR 60 -4.847 -4.205 -10.637 311 HG21 THR 60 HG21 THR 60 -8.024 -2.711 -10.426 312 HG22 THR 60 HG22 THR 60 -7.585 -4.408 -10.235 313 HG23 THR 60 HG23 THR 60 -6.894 -3.459 -11.573 314 H GLY 61 H GLY 61 -4.532 0.400 -8.999 315 HA2 GLY 61 HA2 GLY 61 -5.333 2.582 -8.608 316 HA3 GLY 61 HA3 GLY 61 -6.941 2.112 -9.163 317 H GLY 62 H GLY 62 -6.129 3.574 -6.760 318 HA2 GLY 62 HA2 GLY 62 -7.961 2.565 -4.854 319 HA3 GLY 62 HA3 GLY 62 -6.365 2.015 -4.358 320 H TYR 63 H TYR 63 -4.800 3.549 -3.705 321 HA TYR 63 HA TYR 63 -5.784 6.319 -3.157 322 HB2 TYR 63 HB2 TYR 63 -4.365 4.598 -1.111 323 HB3 TYR 63 HB3 TYR 63 -5.114 6.161 -0.859 324 HD1 TYR 63 HD2 TYR 63 -7.747 6.252 -1.399 325 HD2 TYR 63 HD1 TYR 63 -5.522 2.673 -0.479 326 HE1 TYR 63 HE2 TYR 63 -9.863 5.097 -0.756 327 HE2 TYR 63 HE1 TYR 63 -7.642 1.520 0.157 328 HH TYR 63 HH TYR 63 -9.921 1.662 0.241 329 H SER 64 H SER 64 -4.255 7.867 -2.706 330 HA SER 64 HA SER 64 -1.392 7.327 -3.432 331 HB2 SER 64 HB2 SER 64 -3.037 9.826 -3.955 332 HB3 SER 64 HB3 SER 64 -1.331 9.583 -4.379 333 HG SER 64 HG SER 64 -2.767 9.173 -6.142 334 H ARG 65 H ARG 65 -3.134 7.818 -0.781 335 HA ARG 65 HA ARG 65 -1.023 9.312 0.699 336 HB2 ARG 65 HB2 ARG 65 -4.019 9.871 0.708 337 HB3 ARG 65 HB3 ARG 65 -2.985 10.369 2.033 338 HG2 ARG 65 HG2 ARG 65 -2.596 11.300 -0.846 339 HG3 ARG 65 HG3 ARG 65 -3.518 12.158 0.387 340 HD2 ARG 65 HD2 ARG 65 -1.403 12.137 1.843 341 HD3 ARG 65 HD3 ARG 65 -0.539 11.545 0.429 342 HE ARG 65 HE ARG 65 -0.649 13.653 -0.546 343 HH11 ARG 65 HH11 ARG 65 -2.810 13.731 2.213 344 HH12 ARG 65 HH12 ARG 65 -3.024 15.456 2.104 345 HH21 ARG 65 HH21 ARG 65 -0.962 15.842 -0.619 346 HH22 ARG 65 HH22 ARG 65 -2.000 16.609 0.544 347 H MET 66 H MET 66 -0.563 8.486 2.615 348 HA MET 66 HA MET 66 -1.477 5.959 3.565 349 HB2 MET 66 HB2 MET 66 0.706 6.944 4.092 350 HB3 MET 66 HB3 MET 66 -0.066 8.257 4.960 351 HG2 MET 66 HG2 MET 66 0.768 6.699 6.577 352 HG3 MET 66 HG3 MET 66 -0.982 6.603 6.601 353 HE1 MET 66 HE1 MET 66 2.325 4.983 5.321 354 HE2 MET 66 HE2 MET 66 2.052 4.569 7.026 355 HE3 MET 66 HE3 MET 66 2.030 3.292 5.789 356 H GLY 67 H GLY 67 -2.585 9.262 4.336 357 HA2 GLY 67 HA2 GLY 67 -4.315 8.592 6.520 358 HA3 GLY 67 HA3 GLY 67 -4.422 10.038 5.518 359 H GLU 68 H GLU 68 -4.817 8.251 3.050 360 HA GLU 68 HA GLU 68 -7.748 7.971 3.262 361 HB2 GLU 68 HB2 GLU 68 -5.809 7.542 0.966 362 HB3 GLU 68 HB3 GLU 68 -7.545 7.275 0.857 363 HG2 GLU 68 HG2 GLU 68 -6.198 9.922 1.522 364 HG3 GLU 68 HG3 GLU 68 -6.880 9.474 -0.039 365 H CYS 69 H CYS 69 -4.944 5.755 2.718 366 HA CYS 69 HA CYS 69 -6.586 3.402 2.550 367 HB2 CYS 69 HB2 CYS 69 -4.605 2.152 2.627 368 HB3 CYS 69 HB3 CYS 69 -4.273 3.609 1.713 369 H ALA 70 H ALA 70 -5.404 5.181 5.303 370 HA ALA 70 HA ALA 70 -6.075 3.214 7.330 371 HB1 ALA 70 HB1 ALA 70 -4.392 4.984 7.691 372 HB2 ALA 70 HB2 ALA 70 -5.617 6.244 7.442 373 HB3 ALA 70 HB3 ALA 70 -5.726 5.160 8.850 374 H ARG 71 H ARG 71 -7.713 6.348 6.456 375 HA ARG 71 HA ARG 71 -9.919 5.863 8.170 376 HB2 ARG 71 HB2 ARG 71 -10.952 7.783 7.265 377 HB3 ARG 71 HB3 ARG 71 -9.216 8.076 7.266 378 HG2 ARG 71 HG2 ARG 71 -9.218 7.425 4.790 379 HG3 ARG 71 HG3 ARG 71 -10.979 7.348 4.873 380 HD2 ARG 71 HD2 ARG 71 -10.360 9.484 3.968 381 HD3 ARG 71 HD3 ARG 71 -11.043 9.727 5.586 382 HE ARG 71 HE ARG 71 -8.158 9.449 5.671 383 HH11 ARG 71 HH11 ARG 71 -10.535 11.842 4.771 384 HH12 ARG 71 HH12 ARG 71 -9.505 13.181 5.201 385 HH21 ARG 71 HH21 ARG 71 -6.913 11.168 6.265 386 HH22 ARG 71 HH22 ARG 71 -7.478 12.793 6.002 387 H ASN 72 H ASN 72 -9.527 4.726 4.909 388 HA ASN 72 HA ASN 72 -12.324 3.834 4.631 389 HB2 ASN 72 HB2 ASN 72 -9.810 3.431 2.958 390 HB3 ASN 72 HB3 ASN 72 -11.360 2.691 2.573 391 HD21 ASN 72 HD21 ASN 72 -9.570 5.674 2.521 392 HD22 ASN 72 HD22 ASN 72 -10.829 6.616 1.719 393 H CYS 73 H CYS 73 -9.790 2.633 6.494 394 HA CYS 73 HA CYS 73 -10.909 -0.132 6.517 395 HB2 CYS 73 HB2 CYS 73 -8.160 0.878 6.075 396 HB3 CYS 73 HB3 CYS 73 -8.260 -0.402 7.249 397 HA PRO 74 HA PRO 74 -11.480 0.246 10.798 398 HB2 PRO 74 HB2 PRO 74 -11.012 -2.212 11.867 399 HB3 PRO 74 HB3 PRO 74 -12.313 -1.908 10.675 400 HG2 PRO 74 HG2 PRO 74 -9.520 -2.961 10.150 401 HG3 PRO 74 HG3 PRO 74 -11.077 -3.667 9.606 402 HD2 PRO 74 HD2 PRO 74 -9.610 -2.062 7.981 403 HD3 PRO 74 HD3 PRO 74 -11.394 -1.967 7.994 404 H GLY 75 H GLY 75 -8.241 -0.450 9.850 405 HA2 GLY 75 HA2 GLY 75 -7.059 0.084 12.551 406 HA3 GLY 75 HA3 GLY 75 -6.241 -0.644 11.172 Start of MODEL 12 1 H1 GLY 19 H1 GLY 19 -9.399 -10.793 14.278 2 H2 GLY 19 H2 GLY 19 -10.248 -9.815 15.277 3 H3 GLY 19 H3 GLY 19 -10.283 -9.558 13.659 4 HA2 GLY 19 HA2 GLY 19 -7.945 -8.966 13.631 5 HA3 GLY 19 HA3 GLY 19 -8.871 -7.923 14.725 6 H ASP 20 H ASP 20 -6.477 -10.462 14.493 7 HA ASP 20 HA ASP 20 -6.106 -10.541 17.469 8 HB2 ASP 20 HB2 ASP 20 -6.222 -12.837 15.481 9 HB3 ASP 20 HB3 ASP 20 -5.725 -12.978 17.168 10 H LYS 21 H LYS 21 -4.454 -9.012 17.158 11 HA LYS 21 HA LYS 21 -2.350 -8.189 16.875 12 HB2 LYS 21 HB2 LYS 21 -1.506 -11.088 17.256 13 HB3 LYS 21 HB3 LYS 21 -0.453 -9.688 17.329 14 HG2 LYS 21 HG2 LYS 21 -0.804 -9.891 19.539 15 HG3 LYS 21 HG3 LYS 21 -2.107 -8.789 19.154 16 HD2 LYS 21 HD2 LYS 21 -2.977 -10.436 20.661 17 HD3 LYS 21 HD3 LYS 21 -3.691 -10.762 19.096 18 HE2 LYS 21 HE2 LYS 21 -3.109 -12.870 20.006 19 HE3 LYS 21 HE3 LYS 21 -1.933 -12.557 18.731 20 HZ1 LYS 21 HZ1 LYS 21 -1.461 -12.140 21.642 21 HZ2 LYS 21 HZ2 LYS 21 -0.350 -11.871 20.471 22 HZ3 LYS 21 HZ3 LYS 21 -0.878 -13.384 20.766 23 H GLU 22 H GLU 22 -3.772 -9.175 14.362 24 HA GLU 22 HA GLU 22 -1.743 -9.683 12.395 25 HB2 GLU 22 HB2 GLU 22 -4.123 -10.255 12.123 26 HB3 GLU 22 HB3 GLU 22 -4.576 -8.563 12.312 27 HG2 GLU 22 HG2 GLU 22 -4.751 -9.100 10.037 28 HG3 GLU 22 HG3 GLU 22 -3.382 -8.022 10.205 29 H GLU 23 H GLU 23 -0.817 -8.248 10.950 30 HA GLU 23 HA GLU 23 -0.959 -5.312 11.426 31 HB2 GLU 23 HB2 GLU 23 1.642 -6.905 11.405 32 HB3 GLU 23 HB3 GLU 23 1.512 -5.142 11.389 33 HG2 GLU 23 HG2 GLU 23 0.280 -5.240 13.571 34 HG3 GLU 23 HG3 GLU 23 0.629 -6.969 13.647 35 H CYS 24 H CYS 24 1.106 -4.635 9.605 36 HA CYS 24 HA CYS 24 -0.192 -4.966 7.023 37 HB2 CYS 24 HB2 CYS 24 2.240 -3.537 8.072 38 HB3 CYS 24 HB3 CYS 24 2.082 -3.823 6.352 39 H THR 25 H THR 25 -0.212 -7.296 7.139 40 HA THR 25 HA THR 25 2.180 -8.592 5.866 41 HB THR 25 HB THR 25 0.065 -9.838 7.666 42 HG1 THR 25 HG1 THR 25 1.765 -10.008 9.115 43 HG21 THR 25 HG21 THR 25 2.606 -11.026 6.451 44 HG22 THR 25 HG22 THR 25 0.934 -11.501 6.062 45 HG23 THR 25 HG23 THR 25 1.583 -11.812 7.672 46 H VAL 26 H VAL 26 1.809 -9.817 4.017 47 HA VAL 26 HA VAL 26 -0.552 -9.117 2.491 48 HB VAL 26 HB VAL 26 1.466 -11.209 1.650 49 HG11 VAL 26 HG11 VAL 26 0.952 -10.445 -0.597 50 HG12 VAL 26 HG12 VAL 26 -0.492 -10.996 0.240 51 HG13 VAL 26 HG13 VAL 26 -0.189 -9.248 0.047 52 HG21 VAL 26 HG21 VAL 26 2.689 -9.312 0.499 53 HG22 VAL 26 HG22 VAL 26 1.706 -8.170 1.437 54 HG23 VAL 26 HG23 VAL 26 2.842 -9.282 2.250 55 HA PRO 27 HA PRO 27 -2.982 -12.758 3.689 56 HB2 PRO 27 HB2 PRO 27 -4.837 -12.768 1.643 57 HB3 PRO 27 HB3 PRO 27 -4.873 -11.630 3.024 58 HG2 PRO 27 HG2 PRO 27 -3.718 -11.147 0.253 59 HG3 PRO 27 HG3 PRO 27 -4.819 -10.093 1.194 60 HD2 PRO 27 HD2 PRO 27 -2.137 -9.715 1.137 61 HD3 PRO 27 HD3 PRO 27 -3.063 -9.437 2.643 62 H ILE 28 H ILE 28 -3.217 -14.915 3.094 63 HA ILE 28 HA ILE 28 -1.128 -16.043 1.521 64 HB ILE 28 HB ILE 28 -3.655 -17.416 2.518 65 HG12 ILE 28 HG12 ILE 28 -1.795 -18.321 4.223 66 HG13 ILE 28 HG13 ILE 28 -0.989 -16.806 3.847 67 HG21 ILE 28 HG21 ILE 28 -2.301 -19.491 2.362 68 HG22 ILE 28 HG22 ILE 28 -2.542 -18.755 0.789 69 HG23 ILE 28 HG23 ILE 28 -0.977 -18.568 1.620 70 HD11 ILE 28 HD11 ILE 28 -2.954 -15.563 4.740 71 HD12 ILE 28 HD12 ILE 28 -3.828 -17.099 4.952 72 HD13 ILE 28 HD13 ILE 28 -2.381 -16.750 5.914 73 H GLY 29 H GLY 29 -0.992 -16.717 -0.476 74 HA2 GLY 29 HA2 GLY 29 -1.587 -17.442 -2.619 75 HA3 GLY 29 HA3 GLY 29 -3.277 -17.087 -2.290 76 H TRP 30 H TRP 30 -2.080 -14.136 -1.458 77 HA TRP 30 HA TRP 30 -2.536 -12.966 -4.050 78 HB2 TRP 30 HB2 TRP 30 -2.932 -12.154 -1.554 79 HB3 TRP 30 HB3 TRP 30 -1.295 -11.541 -1.711 80 HD1 TRP 30 HD1 TRP 30 -4.750 -11.321 -3.369 81 HE1 TRP 30 HE1 TRP 30 -5.087 -8.964 -4.387 82 HE3 TRP 30 HE3 TRP 30 -0.122 -9.400 -2.466 83 HZ2 TRP 30 HZ2 TRP 30 -3.537 -6.552 -4.714 84 HZ3 TRP 30 HZ3 TRP 30 0.438 -7.048 -3.128 85 HH2 TRP 30 HH2 TRP 30 -1.264 -5.628 -4.237 86 H SER 31 H SER 31 -1.016 -11.469 -5.080 87 HA SER 31 HA SER 31 1.634 -12.714 -5.468 88 HB2 SER 31 HB2 SER 31 0.247 -10.416 -6.884 89 HB3 SER 31 HB3 SER 31 1.844 -11.060 -7.311 90 HG SER 31 HG SER 31 -0.592 -12.558 -7.257 91 H GLU 32 H GLU 32 2.339 -12.186 -3.287 92 HA GLU 32 HA GLU 32 2.778 -9.656 -2.217 93 HB2 GLU 32 HB2 GLU 32 4.441 -10.642 -0.766 94 HB3 GLU 32 HB3 GLU 32 2.968 -11.593 -0.888 95 HG2 GLU 32 HG2 GLU 32 4.158 -13.150 -2.478 96 HG3 GLU 32 HG3 GLU 32 5.652 -12.267 -2.148 97 HA PRO 33 HA PRO 33 5.865 -8.193 -5.176 98 HB2 PRO 33 HB2 PRO 33 5.798 -5.525 -4.626 99 HB3 PRO 33 HB3 PRO 33 4.481 -6.384 -5.486 100 HG2 PRO 33 HG2 PRO 33 4.606 -5.601 -2.567 101 HG3 PRO 33 HG3 PRO 33 3.245 -5.445 -3.727 102 HD2 PRO 33 HD2 PRO 33 3.503 -7.529 -1.926 103 HD3 PRO 33 HD3 PRO 33 2.656 -7.670 -3.494 104 H VAL 34 H VAL 34 7.886 -8.818 -4.712 105 HA VAL 34 HA VAL 34 9.259 -8.197 -2.210 106 HB VAL 34 HB VAL 34 9.568 -10.294 -3.483 107 HG11 VAL 34 HG11 VAL 34 11.256 -8.655 -5.421 108 HG12 VAL 34 HG12 VAL 34 11.067 -10.416 -5.392 109 HG13 VAL 34 HG13 VAL 34 9.683 -9.395 -5.797 110 HG21 VAL 34 HG21 VAL 34 12.184 -8.804 -3.076 111 HG22 VAL 34 HG22 VAL 34 11.211 -9.545 -1.784 112 HG23 VAL 34 HG23 VAL 34 11.919 -10.556 -3.055 113 H LYS 35 H LYS 35 9.063 -6.645 -5.300 114 HA LYS 35 HA LYS 35 11.480 -5.096 -5.185 115 HB2 LYS 35 HB2 LYS 35 10.676 -3.898 -7.057 116 HB3 LYS 35 HB3 LYS 35 10.258 -5.580 -7.284 117 HG2 LYS 35 HG2 LYS 35 8.189 -3.629 -6.188 118 HG3 LYS 35 HG3 LYS 35 8.600 -3.647 -7.897 119 HD2 LYS 35 HD2 LYS 35 8.001 -6.068 -8.034 120 HD3 LYS 35 HD3 LYS 35 7.537 -6.026 -6.331 121 HE2 LYS 35 HE2 LYS 35 5.529 -5.835 -7.599 122 HE3 LYS 35 HE3 LYS 35 5.835 -4.262 -6.855 123 HZ1 LYS 35 HZ1 LYS 35 5.180 -4.074 -9.200 124 HZ2 LYS 35 HZ2 LYS 35 6.455 -4.966 -9.683 125 HZ3 LYS 35 HZ3 LYS 35 6.691 -3.492 -9.010 126 H GLY 36 H GLY 36 11.520 -2.700 -5.272 127 HA2 GLY 36 HA2 GLY 36 9.579 -1.098 -3.884 128 HA3 GLY 36 HA3 GLY 36 10.981 -1.417 -2.852 129 H LEU 37 H LEU 37 10.371 1.149 -3.543 130 HA LEU 37 HA LEU 37 12.761 1.984 -5.056 131 HB2 LEU 37 HB2 LEU 37 10.810 1.778 -6.690 132 HB3 LEU 37 HB3 LEU 37 10.031 3.076 -5.793 133 HG LEU 37 HG LEU 37 12.112 4.508 -6.294 134 HD11 LEU 37 HD11 LEU 37 12.622 2.245 -8.279 135 HD12 LEU 37 HD12 LEU 37 13.683 2.708 -6.932 136 HD13 LEU 37 HD13 LEU 37 13.435 3.824 -8.278 137 HD21 LEU 37 HD21 LEU 37 10.441 3.491 -8.629 138 HD22 LEU 37 HD22 LEU 37 11.350 5.020 -8.580 139 HD23 LEU 37 HD23 LEU 37 9.981 4.774 -7.486 140 H CYS 38 H CYS 38 13.258 2.333 -2.819 141 HA CYS 38 HA CYS 38 12.076 4.400 -1.210 142 HB2 CYS 38 HB2 CYS 38 14.905 3.246 -1.217 143 HB3 CYS 38 HB3 CYS 38 14.216 4.252 0.071 144 HG CYS 38 HG CYS 38 14.234 1.760 0.872 145 H LYS 39 H LYS 39 13.245 6.382 -0.525 146 HA LYS 39 HA LYS 39 13.847 8.514 -0.843 147 HB2 LYS 39 HB2 LYS 39 15.827 7.483 -2.883 148 HB3 LYS 39 HB3 LYS 39 15.920 8.954 -1.927 149 HG2 LYS 39 HG2 LYS 39 16.155 6.120 -0.846 150 HG3 LYS 39 HG3 LYS 39 17.470 7.254 -1.132 151 HD2 LYS 39 HD2 LYS 39 16.411 8.837 0.521 152 HD3 LYS 39 HD3 LYS 39 15.245 7.575 0.933 153 HE2 LYS 39 HE2 LYS 39 18.284 7.330 1.158 154 HE3 LYS 39 HE3 LYS 39 17.209 7.750 2.492 155 HZ1 LYS 39 HZ1 LYS 39 16.134 5.576 2.236 156 HZ2 LYS 39 HZ2 LYS 39 17.727 5.398 2.524 157 HZ3 LYS 39 HZ3 LYS 39 17.158 5.171 1.018 158 H ALA 40 H ALA 40 12.175 7.119 -3.318 159 HA ALA 40 HA ALA 40 12.256 9.137 -5.352 160 HB1 ALA 40 HB1 ALA 40 10.191 8.021 -6.145 161 HB2 ALA 40 HB2 ALA 40 11.429 6.834 -5.701 162 HB3 ALA 40 HB3 ALA 40 10.065 7.145 -4.605 163 H ARG 41 H ARG 41 10.556 10.595 -5.950 164 HA ARG 41 HA ARG 41 9.479 12.216 -3.743 165 HB2 ARG 41 HB2 ARG 41 8.950 13.847 -5.394 166 HB3 ARG 41 HB3 ARG 41 10.561 13.227 -5.738 167 HG2 ARG 41 HG2 ARG 41 9.649 11.823 -7.571 168 HG3 ARG 41 HG3 ARG 41 8.007 12.370 -7.185 169 HD2 ARG 41 HD2 ARG 41 8.727 14.732 -7.663 170 HD3 ARG 41 HD3 ARG 41 10.304 14.113 -8.148 171 HE ARG 41 HE ARG 41 9.411 13.327 -10.147 172 HH11 ARG 41 HH11 ARG 41 6.698 14.278 -8.147 173 HH12 ARG 41 HH12 ARG 41 5.562 14.124 -9.461 174 HH21 ARG 41 HH21 ARG 41 7.922 13.152 -11.769 175 HH22 ARG 41 HH22 ARG 41 6.249 13.502 -11.456 176 H PHE 42 H PHE 42 8.218 9.462 -4.968 177 HA PHE 42 HA PHE 42 5.423 10.218 -4.522 178 HB2 PHE 42 HB2 PHE 42 4.704 8.983 -6.494 179 HB3 PHE 42 HB3 PHE 42 5.695 10.358 -6.935 180 HD1 PHE 42 HD2 PHE 42 7.945 10.047 -7.927 181 HD2 PHE 42 HD1 PHE 42 5.480 6.665 -6.889 182 HE1 PHE 42 HE2 PHE 42 9.400 8.570 -9.288 183 HE2 PHE 42 HE1 PHE 42 6.938 5.190 -8.253 184 HZ PHE 42 HZ PHE 42 8.895 6.141 -9.454 185 H THR 43 H THR 43 4.386 8.785 -3.470 186 HA THR 43 HA THR 43 5.298 5.974 -3.056 187 HB THR 43 HB THR 43 4.412 7.724 -0.721 188 HG1 THR 43 HG1 THR 43 6.390 8.529 -1.426 189 HG21 THR 43 HG21 THR 43 5.830 5.037 -0.950 190 HG22 THR 43 HG22 THR 43 4.178 5.343 -0.349 191 HG23 THR 43 HG23 THR 43 5.574 5.918 0.570 192 H ARG 44 H ARG 44 3.582 4.488 -2.715 193 HA ARG 44 HA ARG 44 0.795 5.562 -2.697 194 HB2 ARG 44 HB2 ARG 44 1.881 4.473 -4.879 195 HB3 ARG 44 HB3 ARG 44 1.644 2.968 -4.015 196 HG2 ARG 44 HG2 ARG 44 -0.191 3.233 -5.438 197 HG3 ARG 44 HG3 ARG 44 -0.819 3.538 -3.824 198 HD2 ARG 44 HD2 ARG 44 -1.789 5.100 -5.395 199 HD3 ARG 44 HD3 ARG 44 -0.729 5.996 -4.295 200 HE ARG 44 HE ARG 44 0.743 5.234 -6.628 201 HH11 ARG 44 HH11 ARG 44 -1.900 7.460 -5.914 202 HH12 ARG 44 HH12 ARG 44 -1.362 8.583 -7.115 203 HH21 ARG 44 HH21 ARG 44 1.331 6.729 -8.159 204 HH22 ARG 44 HH22 ARG 44 0.379 8.164 -8.367 205 H TYR 45 H TYR 45 -0.786 4.127 -1.686 206 HA TYR 45 HA TYR 45 0.287 2.095 0.191 207 HB2 TYR 45 HB2 TYR 45 -1.465 4.392 1.124 208 HB3 TYR 45 HB3 TYR 45 -0.748 3.118 2.102 209 HD1 TYR 45 HD2 TYR 45 1.719 3.113 2.566 210 HD2 TYR 45 HD1 TYR 45 -0.239 6.400 0.582 211 HE1 TYR 45 HE2 TYR 45 3.670 4.580 3.063 212 HE2 TYR 45 HE1 TYR 45 1.718 7.862 1.073 213 HH TYR 45 HH TYR 45 4.530 6.702 2.947 214 H TYR 46 H TYR 46 -1.128 0.444 0.608 215 HA TYR 46 HA TYR 46 -3.982 0.666 -0.235 216 HB2 TYR 46 HB2 TYR 46 -2.070 -1.489 -1.189 217 HB3 TYR 46 HB3 TYR 46 -3.804 -1.494 -1.430 218 HD1 TYR 46 HD1 TYR 46 -4.877 0.461 -2.748 219 HD2 TYR 46 HD2 TYR 46 -0.665 -0.447 -2.829 220 HE1 TYR 46 HE1 TYR 46 -4.638 1.692 -4.904 221 HE2 TYR 46 HE2 TYR 46 -0.438 0.782 -4.986 222 HH TYR 46 HH TYR 46 -3.224 2.436 -6.513 223 H CYS 47 H CYS 47 -5.366 -0.378 1.085 224 HA CYS 47 HA CYS 47 -4.328 -1.650 3.519 225 HB2 CYS 47 HB2 CYS 47 -6.245 -0.010 3.533 226 HB3 CYS 47 HB3 CYS 47 -7.223 -1.254 2.749 227 H MET 48 H MET 48 -4.071 -3.697 3.894 228 HA MET 48 HA MET 48 -5.025 -5.716 1.894 229 HB2 MET 48 HB2 MET 48 -2.651 -5.770 3.790 230 HB3 MET 48 HB3 MET 48 -3.080 -7.044 2.648 231 HG2 MET 48 HG2 MET 48 -2.273 -4.202 1.946 232 HG3 MET 48 HG3 MET 48 -1.288 -5.646 1.775 233 HE1 MET 48 HE1 MET 48 -2.740 -7.481 -1.298 234 HE2 MET 48 HE2 MET 48 -1.276 -7.202 -0.336 235 HE3 MET 48 HE3 MET 48 -2.758 -7.850 0.423 236 H GLY 49 H GLY 49 -5.998 -4.711 4.842 237 HA2 GLY 49 HA2 GLY 49 -7.885 -6.620 5.370 238 HA3 GLY 49 HA3 GLY 49 -6.474 -7.268 6.217 239 H ASN 50 H ASN 50 -5.447 -5.907 7.822 240 HA ASN 50 HA ASN 50 -7.278 -3.930 9.146 241 HB2 ASN 50 HB2 ASN 50 -5.268 -5.851 10.391 242 HB3 ASN 50 HB3 ASN 50 -6.209 -4.650 11.269 243 HD21 ASN 50 HD21 ASN 50 -6.210 -7.912 10.362 244 HD22 ASN 50 HD22 ASN 50 -7.937 -8.165 10.589 245 H CYS 51 H CYS 51 -4.534 -3.913 7.324 246 HA CYS 51 HA CYS 51 -3.537 -1.366 8.423 247 HB2 CYS 51 HB2 CYS 51 -2.385 -3.228 9.610 248 HB3 CYS 51 HB3 CYS 51 -1.833 -3.873 8.077 249 H CYS 52 H CYS 52 -2.184 -0.230 6.835 250 HA CYS 52 HA CYS 52 -2.340 -1.315 4.076 251 HB2 CYS 52 HB2 CYS 52 -2.650 0.918 3.195 252 HB3 CYS 52 HB3 CYS 52 -4.007 0.368 4.155 253 H LYS 53 H LYS 53 -0.479 -1.991 3.534 254 HA LYS 53 HA LYS 53 2.029 -0.873 4.507 255 HB2 LYS 53 HB2 LYS 53 1.346 -3.349 3.614 256 HB3 LYS 53 HB3 LYS 53 1.971 -2.686 2.108 257 HG2 LYS 53 HG2 LYS 53 4.085 -2.025 3.388 258 HG3 LYS 53 HG3 LYS 53 3.454 -2.936 4.752 259 HD2 LYS 53 HD2 LYS 53 4.113 -4.031 1.975 260 HD3 LYS 53 HD3 LYS 53 5.089 -4.198 3.442 261 HE2 LYS 53 HE2 LYS 53 2.974 -5.314 4.476 262 HE3 LYS 53 HE3 LYS 53 2.403 -5.460 2.804 263 HZ1 LYS 53 HZ1 LYS 53 4.464 -6.709 2.317 264 HZ2 LYS 53 HZ2 LYS 53 3.644 -7.441 3.532 265 HZ3 LYS 53 HZ3 LYS 53 4.964 -6.554 3.866 266 H VAL 54 H VAL 54 3.765 -0.272 2.999 267 HA VAL 54 HA VAL 54 2.964 1.758 1.032 268 HB VAL 54 HB VAL 54 4.832 2.100 2.627 269 HG11 VAL 54 HG11 VAL 54 7.032 1.176 2.256 270 HG12 VAL 54 HG12 VAL 54 5.913 -0.173 2.527 271 HG13 VAL 54 HG13 VAL 54 6.470 0.217 0.880 272 HG21 VAL 54 HG21 VAL 54 5.696 2.229 -0.282 273 HG22 VAL 54 HG22 VAL 54 4.562 3.336 0.520 274 HG23 VAL 54 HG23 VAL 54 6.249 3.247 1.067 275 H TYR 55 H TYR 55 3.119 1.638 -1.112 276 HA TYR 55 HA TYR 55 4.403 -0.640 -2.487 277 HB2 TYR 55 HB2 TYR 55 1.550 0.283 -3.013 278 HB3 TYR 55 HB3 TYR 55 2.435 -0.882 -3.985 279 HD1 TYR 55 HD1 TYR 55 2.856 -3.167 -3.203 280 HD2 TYR 55 HD2 TYR 55 0.687 -0.355 -0.766 281 HE1 TYR 55 HE1 TYR 55 2.122 -5.029 -1.672 282 HE2 TYR 55 HE2 TYR 55 -0.025 -2.228 0.747 283 HH TYR 55 HH TYR 55 1.027 -5.590 0.187 284 H GLU 56 H GLU 56 4.425 -0.130 -4.927 285 HA GLU 56 HA GLU 56 4.959 2.770 -5.420 286 HB2 GLU 56 HB2 GLU 56 6.814 0.485 -6.210 287 HB3 GLU 56 HB3 GLU 56 7.016 2.199 -6.521 288 HG2 GLU 56 HG2 GLU 56 8.423 1.866 -4.731 289 HG3 GLU 56 HG3 GLU 56 7.001 2.565 -3.975 290 H GLY 57 H GLY 57 4.024 3.515 -7.170 291 HA2 GLY 57 HA2 GLY 57 3.150 3.599 -9.354 292 HA3 GLY 57 HA3 GLY 57 3.402 1.864 -9.548 293 H CYS 58 H CYS 58 1.111 2.705 -10.475 294 HA CYS 58 HA CYS 58 -1.064 2.743 -8.490 295 HB2 CYS 58 HB2 CYS 58 -1.063 2.862 -11.535 296 HB3 CYS 58 HB3 CYS 58 -2.495 3.018 -10.505 297 HG CYS 58 HG CYS 58 0.252 4.890 -10.514 298 H TYR 59 H TYR 59 -0.873 0.680 -7.526 299 HA TYR 59 HA TYR 59 -1.226 -1.778 -9.082 300 HB2 TYR 59 HB2 TYR 59 -0.017 -1.472 -6.809 301 HB3 TYR 59 HB3 TYR 59 -1.608 -1.577 -6.087 302 HD1 TYR 59 HD2 TYR 59 -3.078 -3.708 -7.284 303 HD2 TYR 59 HD1 TYR 59 1.209 -3.423 -6.759 304 HE1 TYR 59 HE2 TYR 59 -2.883 -6.162 -7.497 305 HE2 TYR 59 HE1 TYR 59 1.385 -5.889 -6.918 306 HH TYR 59 HH TYR 59 0.266 -7.855 -7.219 307 H THR 60 H THR 60 -3.059 -1.564 -10.233 308 HA THR 60 HA THR 60 -5.205 -1.630 -10.888 309 HB THR 60 HB THR 60 -6.693 -3.186 -9.741 310 HG1 THR 60 HG1 THR 60 -6.115 -2.686 -7.571 311 HG21 THR 60 HG21 THR 60 -3.812 -4.158 -9.794 312 HG22 THR 60 HG22 THR 60 -4.883 -4.015 -11.208 313 HG23 THR 60 HG23 THR 60 -5.281 -5.148 -9.904 314 H GLY 61 H GLY 61 -4.711 0.387 -8.396 315 HA2 GLY 61 HA2 GLY 61 -5.844 2.507 -8.192 316 HA3 GLY 61 HA3 GLY 61 -7.348 1.762 -8.730 317 H GLY 62 H GLY 62 -6.969 3.385 -6.394 318 HA2 GLY 62 HA2 GLY 62 -8.511 2.171 -4.432 319 HA3 GLY 62 HA3 GLY 62 -6.867 1.757 -3.972 320 H TYR 63 H TYR 63 -5.394 3.465 -3.433 321 HA TYR 63 HA TYR 63 -6.627 6.082 -2.667 322 HB2 TYR 63 HB2 TYR 63 -4.725 4.535 -0.893 323 HB3 TYR 63 HB3 TYR 63 -5.683 5.939 -0.480 324 HD1 TYR 63 HD2 TYR 63 -8.286 5.653 -0.429 325 HD2 TYR 63 HD1 TYR 63 -5.508 2.360 -0.475 326 HE1 TYR 63 HE2 TYR 63 -10.041 4.166 0.521 327 HE2 TYR 63 HE1 TYR 63 -7.288 0.857 0.464 328 HH TYR 63 HH TYR 63 -10.592 2.023 1.135 329 H SER 64 H SER 64 -5.084 7.774 -2.195 330 HA SER 64 HA SER 64 -2.374 7.465 -3.464 331 HB2 SER 64 HB2 SER 64 -4.297 9.799 -3.707 332 HB3 SER 64 HB3 SER 64 -2.606 9.818 -4.241 333 HG SER 64 HG SER 64 -4.726 8.187 -5.197 334 H ARG 65 H ARG 65 -3.815 8.112 -0.540 335 HA ARG 65 HA ARG 65 -1.260 9.130 0.557 336 HB2 ARG 65 HB2 ARG 65 -3.999 10.410 0.939 337 HB3 ARG 65 HB3 ARG 65 -2.806 10.509 2.222 338 HG2 ARG 65 HG2 ARG 65 -2.241 11.478 -0.610 339 HG3 ARG 65 HG3 ARG 65 -2.907 12.497 0.669 340 HD2 ARG 65 HD2 ARG 65 -0.964 12.114 2.090 341 HD3 ARG 65 HD3 ARG 65 -0.254 11.016 0.891 342 HE ARG 65 HE ARG 65 -0.677 13.400 -0.488 343 HH11 ARG 65 HH11 ARG 65 1.237 12.517 2.307 344 HH12 ARG 65 HH12 ARG 65 2.452 13.720 1.971 345 HH21 ARG 65 HH21 ARG 65 0.906 14.904 -0.868 346 HH22 ARG 65 HH22 ARG 65 2.260 15.031 0.214 347 H MET 66 H MET 66 -0.787 8.372 2.600 348 HA MET 66 HA MET 66 -1.967 5.899 3.371 349 HB2 MET 66 HB2 MET 66 0.330 6.381 3.892 350 HB3 MET 66 HB3 MET 66 -0.125 7.756 4.895 351 HG2 MET 66 HG2 MET 66 -1.261 6.238 6.468 352 HG3 MET 66 HG3 MET 66 -0.911 4.855 5.440 353 HE1 MET 66 HE1 MET 66 1.675 4.172 4.857 354 HE2 MET 66 HE2 MET 66 2.543 3.750 6.347 355 HE3 MET 66 HE3 MET 66 0.855 3.237 6.123 356 H GLY 67 H GLY 67 -2.666 9.209 4.439 357 HA2 GLY 67 HA2 GLY 67 -4.313 8.680 6.674 358 HA3 GLY 67 HA3 GLY 67 -4.474 10.074 5.603 359 H GLU 68 H GLU 68 -5.134 8.447 3.231 360 HA GLU 68 HA GLU 68 -8.013 8.054 3.638 361 HB2 GLU 68 HB2 GLU 68 -6.166 7.571 1.271 362 HB3 GLU 68 HB3 GLU 68 -7.885 7.207 1.244 363 HG2 GLU 68 HG2 GLU 68 -6.805 9.986 1.844 364 HG3 GLU 68 HG3 GLU 68 -7.189 9.415 0.225 365 H CYS 69 H CYS 69 -5.243 5.844 2.909 366 HA CYS 69 HA CYS 69 -6.902 3.479 2.952 367 HB2 CYS 69 HB2 CYS 69 -4.959 2.220 2.746 368 HB3 CYS 69 HB3 CYS 69 -4.747 3.666 1.782 369 H ALA 70 H ALA 70 -5.162 5.200 5.509 370 HA ALA 70 HA ALA 70 -5.651 3.249 7.578 371 HB1 ALA 70 HB1 ALA 70 -3.868 4.953 7.695 372 HB2 ALA 70 HB2 ALA 70 -5.075 6.255 7.697 373 HB3 ALA 70 HB3 ALA 70 -4.982 5.123 9.067 374 H ARG 71 H ARG 71 -7.339 6.414 6.935 375 HA ARG 71 HA ARG 71 -9.172 6.071 9.065 376 HB2 ARG 71 HB2 ARG 71 -10.320 7.977 8.313 377 HB3 ARG 71 HB3 ARG 71 -8.628 8.224 7.909 378 HG2 ARG 71 HG2 ARG 71 -9.200 7.480 5.526 379 HG3 ARG 71 HG3 ARG 71 -10.893 7.424 6.014 380 HD2 ARG 71 HD2 ARG 71 -10.496 9.493 4.879 381 HD3 ARG 71 HD3 ARG 71 -10.815 9.835 6.587 382 HE ARG 71 HE ARG 71 -8.008 9.579 6.258 383 HH11 ARG 71 HH11 ARG 71 -10.383 11.739 4.923 384 HH12 ARG 71 HH12 ARG 71 -9.323 13.123 4.955 385 HH21 ARG 71 HH21 ARG 71 -6.702 11.390 6.368 386 HH22 ARG 71 HH22 ARG 71 -7.262 12.896 5.707 387 H ASN 72 H ASN 72 -9.483 4.829 5.828 388 HA ASN 72 HA ASN 72 -12.309 4.043 6.160 389 HB2 ASN 72 HB2 ASN 72 -10.229 3.537 3.987 390 HB3 ASN 72 HB3 ASN 72 -11.866 2.885 3.943 391 HD21 ASN 72 HD21 ASN 72 -9.956 5.749 3.430 392 HD22 ASN 72 HD22 ASN 72 -11.326 6.744 2.915 393 H CYS 73 H CYS 73 -9.247 2.569 6.902 394 HA CYS 73 HA CYS 73 -10.454 -0.135 7.226 395 HB2 CYS 73 HB2 CYS 73 -7.749 0.916 6.607 396 HB3 CYS 73 HB3 CYS 73 -7.758 -0.409 7.723 397 HA PRO 74 HA PRO 74 -10.550 0.197 11.585 398 HB2 PRO 74 HB2 PRO 74 -9.918 -2.263 12.559 399 HB3 PRO 74 HB3 PRO 74 -11.355 -1.965 11.533 400 HG2 PRO 74 HG2 PRO 74 -8.630 -2.977 10.675 401 HG3 PRO 74 HG3 PRO 74 -10.237 -3.690 10.302 402 HD2 PRO 74 HD2 PRO 74 -8.966 -2.055 8.552 403 HD3 PRO 74 HD3 PRO 74 -10.740 -1.986 8.754 404 H GLY 75 H GLY 75 -7.471 -0.164 10.249 405 HA2 GLY 75 HA2 GLY 75 -5.839 -0.293 12.685 406 HA3 GLY 75 HA3 GLY 75 -5.264 -0.091 11.036 Start of MODEL 13 1 H1 GLY 19 H1 GLY 19 -2.014 -18.169 20.465 2 H2 GLY 19 H2 GLY 19 -3.009 -19.462 20.324 3 H3 GLY 19 H3 GLY 19 -1.401 -19.686 20.530 4 HA2 GLY 19 HA2 GLY 19 -0.915 -18.715 18.380 5 HA3 GLY 19 HA3 GLY 19 -2.001 -20.106 18.239 6 H ASP 20 H ASP 20 -1.764 -16.590 18.114 7 HA ASP 20 HA ASP 20 -4.122 -16.380 16.396 8 HB2 ASP 20 HB2 ASP 20 -5.237 -14.700 17.757 9 HB3 ASP 20 HB3 ASP 20 -5.118 -16.208 18.644 10 H LYS 21 H LYS 21 -4.358 -14.115 15.568 11 HA LYS 21 HA LYS 21 -1.719 -12.988 14.839 12 HB2 LYS 21 HB2 LYS 21 -4.532 -12.310 13.880 13 HB3 LYS 21 HB3 LYS 21 -3.044 -11.613 13.246 14 HG2 LYS 21 HG2 LYS 21 -3.843 -14.554 13.094 15 HG3 LYS 21 HG3 LYS 21 -3.937 -13.371 11.789 16 HD2 LYS 21 HD2 LYS 21 -1.444 -13.050 11.951 17 HD3 LYS 21 HD3 LYS 21 -1.376 -14.383 13.111 18 HE2 LYS 21 HE2 LYS 21 -2.464 -14.587 10.266 19 HE3 LYS 21 HE3 LYS 21 -0.819 -15.013 10.744 20 HZ1 LYS 21 HZ1 LYS 21 -3.276 -16.342 11.757 21 HZ2 LYS 21 HZ2 LYS 21 -1.752 -16.709 12.229 22 HZ3 LYS 21 HZ3 LYS 21 -2.219 -16.974 10.691 23 H GLU 22 H GLU 22 -0.845 -11.794 16.373 24 HA GLU 22 HA GLU 22 -2.425 -9.694 17.769 25 HB2 GLU 22 HB2 GLU 22 -0.724 -9.603 19.372 26 HB3 GLU 22 HB3 GLU 22 -1.099 -11.295 19.115 27 HG2 GLU 22 HG2 GLU 22 1.319 -9.878 17.901 28 HG3 GLU 22 HG3 GLU 22 1.330 -10.701 19.444 29 H GLU 23 H GLU 23 -0.591 -9.849 14.997 30 HA GLU 23 HA GLU 23 -0.005 -6.919 15.014 31 HB2 GLU 23 HB2 GLU 23 1.820 -9.231 14.255 32 HB3 GLU 23 HB3 GLU 23 2.059 -7.645 13.554 33 HG2 GLU 23 HG2 GLU 23 2.091 -8.234 16.535 34 HG3 GLU 23 HG3 GLU 23 3.510 -8.090 15.504 35 H CYS 24 H CYS 24 0.318 -5.995 12.894 36 HA CYS 24 HA CYS 24 -1.639 -6.686 10.900 37 HB2 CYS 24 HB2 CYS 24 0.699 -4.781 11.084 38 HB3 CYS 24 HB3 CYS 24 -0.084 -5.052 9.532 39 H THR 25 H THR 25 -1.572 -8.082 9.277 40 HA THR 25 HA THR 25 0.928 -8.734 7.906 41 HB THR 25 HB THR 25 0.708 -10.483 9.690 42 HG1 THR 25 HG1 THR 25 1.884 -11.139 8.058 43 HG21 THR 25 HG21 THR 25 -0.890 -12.293 9.428 44 HG22 THR 25 HG22 THR 25 -1.680 -11.471 8.074 45 HG23 THR 25 HG23 THR 25 -1.757 -10.774 9.711 46 H VAL 26 H VAL 26 0.455 -10.046 5.921 47 HA VAL 26 HA VAL 26 -1.601 -8.668 4.369 48 HB VAL 26 HB VAL 26 -0.672 -10.058 2.466 49 HG11 VAL 26 HG11 VAL 26 1.397 -8.498 4.063 50 HG12 VAL 26 HG12 VAL 26 1.400 -8.807 2.315 51 HG13 VAL 26 HG13 VAL 26 0.149 -7.777 3.029 52 HG21 VAL 26 HG21 VAL 26 1.395 -10.979 4.514 53 HG22 VAL 26 HG22 VAL 26 0.177 -12.009 3.727 54 HG23 VAL 26 HG23 VAL 26 1.444 -11.229 2.768 55 HA PRO 27 HA PRO 27 -4.751 -11.852 4.446 56 HB2 PRO 27 HB2 PRO 27 -5.978 -11.589 2.025 57 HB3 PRO 27 HB3 PRO 27 -6.089 -10.320 3.285 58 HG2 PRO 27 HG2 PRO 27 -4.146 -10.446 0.945 59 HG3 PRO 27 HG3 PRO 27 -5.218 -9.080 1.413 60 HD2 PRO 27 HD2 PRO 27 -2.631 -9.163 2.186 61 HD3 PRO 27 HD3 PRO 27 -3.889 -8.585 3.313 62 H ILE 28 H ILE 28 -5.212 -13.966 3.556 63 HA ILE 28 HA ILE 28 -2.899 -15.411 2.747 64 HB ILE 28 HB ILE 28 -5.807 -16.272 2.610 65 HG12 ILE 28 HG12 ILE 28 -3.751 -16.735 4.832 66 HG13 ILE 28 HG13 ILE 28 -5.001 -15.498 4.900 67 HG21 ILE 28 HG21 ILE 28 -4.912 -18.592 2.734 68 HG22 ILE 28 HG22 ILE 28 -4.368 -17.783 1.284 69 HG23 ILE 28 HG23 ILE 28 -3.257 -17.957 2.664 70 HD11 ILE 28 HD11 ILE 28 -5.480 -18.492 4.887 71 HD12 ILE 28 HD12 ILE 28 -5.759 -17.339 6.196 72 HD13 ILE 28 HD13 ILE 28 -6.760 -17.261 4.734 73 H GLY 29 H GLY 29 -2.128 -16.101 0.864 74 HA2 GLY 29 HA2 GLY 29 -1.715 -16.304 -1.410 75 HA3 GLY 29 HA3 GLY 29 -3.459 -16.269 -1.657 76 H TRP 30 H TRP 30 -1.008 -13.810 -0.575 77 HA TRP 30 HA TRP 30 -2.246 -11.668 -2.099 78 HB2 TRP 30 HB2 TRP 30 -0.569 -10.322 -0.978 79 HB3 TRP 30 HB3 TRP 30 -1.321 -11.387 0.185 80 HD1 TRP 30 HD1 TRP 30 1.943 -10.595 -1.427 81 HE1 TRP 30 HE1 TRP 30 3.892 -11.925 -0.324 82 HE3 TRP 30 HE3 TRP 30 -0.810 -13.762 1.329 83 HZ2 TRP 30 HZ2 TRP 30 4.148 -14.103 1.559 84 HZ3 TRP 30 HZ3 TRP 30 0.262 -15.520 2.792 85 HH2 TRP 30 HH2 TRP 30 2.740 -15.674 2.906 86 H SER 31 H SER 31 -0.431 -10.213 -3.039 87 HA SER 31 HA SER 31 1.378 -11.648 -4.951 88 HB2 SER 31 HB2 SER 31 -0.569 -9.443 -5.729 89 HB3 SER 31 HB3 SER 31 0.701 -10.115 -6.766 90 HG SER 31 HG SER 31 -0.339 -12.171 -6.569 91 H GLU 32 H GLU 32 3.196 -11.060 -3.841 92 HA GLU 32 HA GLU 32 3.628 -8.656 -2.504 93 HB2 GLU 32 HB2 GLU 32 5.995 -9.271 -2.392 94 HB3 GLU 32 HB3 GLU 32 4.861 -10.517 -1.894 95 HG2 GLU 32 HG2 GLU 32 5.182 -11.660 -4.112 96 HG3 GLU 32 HG3 GLU 32 6.413 -10.459 -4.514 97 HA PRO 33 HA PRO 33 4.378 -5.945 -6.037 98 HB2 PRO 33 HB2 PRO 33 4.405 -3.538 -4.737 99 HB3 PRO 33 HB3 PRO 33 2.907 -4.480 -5.026 100 HG2 PRO 33 HG2 PRO 33 4.626 -4.386 -2.548 101 HG3 PRO 33 HG3 PRO 33 2.843 -4.235 -2.653 102 HD2 PRO 33 HD2 PRO 33 4.097 -6.572 -2.016 103 HD3 PRO 33 HD3 PRO 33 2.582 -6.540 -2.967 104 H VAL 34 H VAL 34 6.383 -6.393 -6.779 105 HA VAL 34 HA VAL 34 8.704 -4.917 -5.592 106 HB VAL 34 HB VAL 34 8.936 -7.707 -6.775 107 HG11 VAL 34 HG11 VAL 34 10.913 -5.937 -5.248 108 HG12 VAL 34 HG12 VAL 34 11.217 -7.594 -5.811 109 HG13 VAL 34 HG13 VAL 34 10.987 -6.300 -6.986 110 HG21 VAL 34 HG21 VAL 34 7.794 -7.909 -4.618 111 HG22 VAL 34 HG22 VAL 34 9.467 -8.436 -4.457 112 HG23 VAL 34 HG23 VAL 34 8.986 -6.834 -3.853 113 H LYS 35 H LYS 35 7.968 -3.309 -7.047 114 HA LYS 35 HA LYS 35 9.299 -3.398 -9.664 115 HB2 LYS 35 HB2 LYS 35 7.363 -2.818 -10.960 116 HB3 LYS 35 HB3 LYS 35 6.969 -4.260 -10.026 117 HG2 LYS 35 HG2 LYS 35 5.794 -2.755 -8.338 118 HG3 LYS 35 HG3 LYS 35 6.098 -1.403 -9.436 119 HD2 LYS 35 HD2 LYS 35 3.897 -2.063 -9.876 120 HD3 LYS 35 HD3 LYS 35 4.825 -2.694 -11.233 121 HE2 LYS 35 HE2 LYS 35 4.739 -4.942 -10.344 122 HE3 LYS 35 HE3 LYS 35 4.166 -4.371 -8.772 123 HZ1 LYS 35 HZ1 LYS 35 2.345 -5.275 -10.111 124 HZ2 LYS 35 HZ2 LYS 35 2.599 -4.172 -11.287 125 HZ3 LYS 35 HZ3 LYS 35 2.088 -3.688 -9.804 126 H GLY 36 H GLY 36 8.974 -1.146 -10.749 127 HA2 GLY 36 HA2 GLY 36 9.287 1.152 -10.732 128 HA3 GLY 36 HA3 GLY 36 8.200 1.160 -9.346 129 H LEU 37 H LEU 37 11.588 0.362 -10.089 130 HA LEU 37 HA LEU 37 12.685 0.753 -7.528 131 HB2 LEU 37 HB2 LEU 37 14.824 0.606 -8.584 132 HB3 LEU 37 HB3 LEU 37 13.747 -0.578 -9.281 133 HG LEU 37 HG LEU 37 13.959 2.059 -10.742 134 HD11 LEU 37 HD11 LEU 37 16.175 -0.026 -10.763 135 HD12 LEU 37 HD12 LEU 37 16.301 1.635 -10.138 136 HD13 LEU 37 HD13 LEU 37 16.036 1.364 -11.867 137 HD21 LEU 37 HD21 LEU 37 13.996 -0.851 -11.666 138 HD22 LEU 37 HD22 LEU 37 13.926 0.577 -12.717 139 HD23 LEU 37 HD23 LEU 37 12.566 0.201 -11.660 140 H CYS 38 H CYS 38 11.483 3.291 -9.308 141 HA CYS 38 HA CYS 38 13.375 5.392 -8.993 142 HB2 CYS 38 HB2 CYS 38 10.321 5.455 -9.077 143 HB3 CYS 38 HB3 CYS 38 11.385 6.840 -9.370 144 HG CYS 38 HG CYS 38 10.391 5.977 -11.648 145 H LYS 39 H LYS 39 13.101 7.311 -7.636 146 HA LYS 39 HA LYS 39 12.217 6.783 -4.810 147 HB2 LYS 39 HB2 LYS 39 14.814 8.077 -5.690 148 HB3 LYS 39 HB3 LYS 39 14.179 8.018 -4.038 149 HG2 LYS 39 HG2 LYS 39 14.148 5.474 -4.233 150 HG3 LYS 39 HG3 LYS 39 15.048 5.658 -5.755 151 HD2 LYS 39 HD2 LYS 39 16.805 6.939 -4.514 152 HD3 LYS 39 HD3 LYS 39 15.895 6.669 -3.009 153 HE2 LYS 39 HE2 LYS 39 16.120 4.207 -3.333 154 HE3 LYS 39 HE3 LYS 39 17.045 4.490 -4.813 155 HZ1 LYS 39 HZ1 LYS 39 18.733 5.624 -3.457 156 HZ2 LYS 39 HZ2 LYS 39 18.514 4.100 -2.920 157 HZ3 LYS 39 HZ3 LYS 39 17.878 5.351 -2.091 158 H ALA 40 H ALA 40 10.276 7.832 -5.591 159 HA ALA 40 HA ALA 40 10.215 10.698 -6.090 160 HB1 ALA 40 HB1 ALA 40 8.066 8.740 -5.162 161 HB2 ALA 40 HB2 ALA 40 7.768 10.410 -5.684 162 HB3 ALA 40 HB3 ALA 40 8.405 9.224 -6.836 163 H ARG 41 H ARG 41 9.088 12.200 -4.632 164 HA ARG 41 HA ARG 41 10.223 12.251 -1.915 165 HB2 ARG 41 HB2 ARG 41 8.484 14.207 -3.477 166 HB3 ARG 41 HB3 ARG 41 9.081 14.507 -1.840 167 HG2 ARG 41 HG2 ARG 41 11.414 14.249 -2.593 168 HG3 ARG 41 HG3 ARG 41 10.878 13.987 -4.255 169 HD2 ARG 41 HD2 ARG 41 10.306 16.511 -2.645 170 HD3 ARG 41 HD3 ARG 41 11.687 16.303 -3.734 171 HE ARG 41 HE ARG 41 9.254 15.697 -5.139 172 HH11 ARG 41 HH11 ARG 41 11.031 18.476 -3.993 173 HH12 ARG 41 HH12 ARG 41 10.396 19.519 -5.237 174 HH21 ARG 41 HH21 ARG 41 8.466 17.060 -6.694 175 HH22 ARG 41 HH22 ARG 41 8.971 18.723 -6.725 176 H PHE 42 H PHE 42 7.651 10.543 -2.926 177 HA PHE 42 HA PHE 42 6.387 10.421 -0.336 178 HB2 PHE 42 HB2 PHE 42 4.133 10.531 -1.301 179 HB3 PHE 42 HB3 PHE 42 4.972 12.050 -1.531 180 HD1 PHE 42 HD1 PHE 42 5.836 12.697 -3.815 181 HD2 PHE 42 HD2 PHE 42 3.412 9.178 -3.201 182 HE1 PHE 42 HE1 PHE 42 5.356 12.603 -6.245 183 HE2 PHE 42 HE2 PHE 42 2.944 9.086 -5.637 184 HZ PHE 42 HZ PHE 42 3.908 10.800 -7.158 185 H THR 43 H THR 43 5.077 8.497 -0.318 186 HA THR 43 HA THR 43 5.797 6.308 -2.229 187 HB THR 43 HB THR 43 5.863 6.001 0.804 188 HG1 THR 43 HG1 THR 43 7.653 7.161 0.014 189 HG21 THR 43 HG21 THR 43 7.037 3.844 0.190 190 HG22 THR 43 HG22 THR 43 6.546 4.108 -1.492 191 HG23 THR 43 HG23 THR 43 5.316 3.873 -0.215 192 H ARG 44 H ARG 44 4.284 4.560 -2.312 193 HA ARG 44 HA ARG 44 1.504 5.425 -1.828 194 HB2 ARG 44 HB2 ARG 44 2.754 4.139 -3.954 195 HB3 ARG 44 HB3 ARG 44 2.065 2.769 -3.084 196 HG2 ARG 44 HG2 ARG 44 0.499 3.451 -4.707 197 HG3 ARG 44 HG3 ARG 44 -0.159 3.985 -3.160 198 HD2 ARG 44 HD2 ARG 44 0.679 6.297 -3.667 199 HD3 ARG 44 HD3 ARG 44 1.388 5.686 -5.182 200 HE ARG 44 HE ARG 44 -1.408 5.022 -4.897 201 HH11 ARG 44 HH11 ARG 44 0.601 7.649 -6.039 202 HH12 ARG 44 HH12 ARG 44 -0.671 8.280 -7.052 203 HH21 ARG 44 HH21 ARG 44 -2.915 5.822 -6.126 204 HH22 ARG 44 HH22 ARG 44 -2.670 7.267 -7.094 205 H TYR 45 H TYR 45 -0.077 4.186 -0.796 206 HA TYR 45 HA TYR 45 0.883 2.138 1.145 207 HB2 TYR 45 HB2 TYR 45 -1.057 4.348 1.846 208 HB3 TYR 45 HB3 TYR 45 -0.330 3.171 2.928 209 HD1 TYR 45 HD2 TYR 45 2.454 3.271 2.796 210 HD2 TYR 45 HD1 TYR 45 -0.271 6.501 2.044 211 HE1 TYR 45 HE2 TYR 45 4.239 4.915 3.388 212 HE2 TYR 45 HE1 TYR 45 1.518 8.149 2.587 213 HH TYR 45 HH TYR 45 3.680 8.441 3.284 214 H TYR 46 H TYR 46 -0.351 0.371 1.250 215 HA TYR 46 HA TYR 46 -3.036 0.377 -0.114 216 HB2 TYR 46 HB2 TYR 46 -0.978 -1.846 -0.155 217 HB3 TYR 46 HB3 TYR 46 -2.494 -1.788 -1.037 218 HD1 TYR 46 HD1 TYR 46 -2.508 0.873 -2.298 219 HD2 TYR 46 HD2 TYR 46 0.733 -1.906 -1.723 220 HE1 TYR 46 HE1 TYR 46 -1.368 1.779 -4.320 221 HE2 TYR 46 HE2 TYR 46 1.904 -0.945 -3.710 222 HH TYR 46 HH TYR 46 0.532 1.731 -5.614 223 H CYS 47 H CYS 47 -4.711 -0.522 0.952 224 HA CYS 47 HA CYS 47 -4.372 -1.666 3.621 225 HB2 CYS 47 HB2 CYS 47 -6.346 -0.300 3.084 226 HB3 CYS 47 HB3 CYS 47 -6.861 -1.530 1.914 227 H MET 48 H MET 48 -3.821 -3.611 4.062 228 HA MET 48 HA MET 48 -4.279 -5.867 2.141 229 HB2 MET 48 HB2 MET 48 -1.932 -5.366 4.010 230 HB3 MET 48 HB3 MET 48 -2.196 -6.845 3.083 231 HG2 MET 48 HG2 MET 48 -1.836 -4.080 1.876 232 HG3 MET 48 HG3 MET 48 -0.564 -5.275 2.051 233 HE1 MET 48 HE1 MET 48 -0.984 -7.743 -0.757 234 HE2 MET 48 HE2 MET 48 0.120 -6.899 0.353 235 HE3 MET 48 HE3 MET 48 -1.156 -7.957 0.997 236 H GLY 49 H GLY 49 -6.194 -6.546 3.001 237 HA2 GLY 49 HA2 GLY 49 -7.386 -8.066 4.313 238 HA3 GLY 49 HA3 GLY 49 -6.065 -8.107 5.481 239 H ASN 50 H ASN 50 -5.778 -5.902 6.616 240 HA ASN 50 HA ASN 50 -8.422 -4.863 7.604 241 HB2 ASN 50 HB2 ASN 50 -6.155 -6.099 9.230 242 HB3 ASN 50 HB3 ASN 50 -7.402 -5.086 9.941 243 HD21 ASN 50 HD21 ASN 50 -9.402 -5.976 10.422 244 HD22 ASN 50 HD22 ASN 50 -9.784 -7.654 10.066 245 H CYS 51 H CYS 51 -4.925 -4.430 8.119 246 HA CYS 51 HA CYS 51 -5.228 -1.472 8.299 247 HB2 CYS 51 HB2 CYS 51 -2.766 -1.750 9.098 248 HB3 CYS 51 HB3 CYS 51 -4.086 -2.202 10.165 249 H CYS 52 H CYS 52 -3.378 -0.192 7.286 250 HA CYS 52 HA CYS 52 -2.583 -1.396 4.685 251 HB2 CYS 52 HB2 CYS 52 -2.424 0.883 3.775 252 HB3 CYS 52 HB3 CYS 52 -4.055 0.366 4.153 253 H LYS 53 H LYS 53 -0.651 -1.022 3.796 254 HA LYS 53 HA LYS 53 1.592 -0.227 5.619 255 HB2 LYS 53 HB2 LYS 53 0.935 -2.914 4.545 256 HB3 LYS 53 HB3 LYS 53 2.580 -2.407 4.163 257 HG2 LYS 53 HG2 LYS 53 3.077 -1.992 6.518 258 HG3 LYS 53 HG3 LYS 53 1.400 -2.309 6.957 259 HD2 LYS 53 HD2 LYS 53 2.706 -4.264 7.497 260 HD3 LYS 53 HD3 LYS 53 1.658 -4.671 6.129 261 HE2 LYS 53 HE2 LYS 53 3.566 -4.296 4.568 262 HE3 LYS 53 HE3 LYS 53 4.598 -3.857 5.936 263 HZ1 LYS 53 HZ1 LYS 53 4.911 -6.178 5.315 264 HZ2 LYS 53 HZ2 LYS 53 3.329 -6.510 5.514 265 HZ3 LYS 53 HZ3 LYS 53 4.255 -6.121 6.809 266 H VAL 54 H VAL 54 3.605 -0.047 4.603 267 HA VAL 54 HA VAL 54 3.498 1.602 2.168 268 HB VAL 54 HB VAL 54 4.785 2.267 4.188 269 HG11 VAL 54 HG11 VAL 54 6.910 0.268 3.334 270 HG12 VAL 54 HG12 VAL 54 6.969 1.417 4.677 271 HG13 VAL 54 HG13 VAL 54 5.847 0.048 4.748 272 HG21 VAL 54 HG21 VAL 54 5.185 3.244 1.982 273 HG22 VAL 54 HG22 VAL 54 6.659 3.199 2.959 274 HG23 VAL 54 HG23 VAL 54 6.433 2.019 1.651 275 H TYR 55 H TYR 55 3.892 1.011 0.174 276 HA TYR 55 HA TYR 55 5.632 -1.321 -0.419 277 HB2 TYR 55 HB2 TYR 55 2.729 -1.024 -1.190 278 HB3 TYR 55 HB3 TYR 55 3.831 -2.108 -2.024 279 HD1 TYR 55 HD1 TYR 55 5.159 -3.810 -0.477 280 HD2 TYR 55 HD2 TYR 55 1.448 -1.897 0.605 281 HE1 TYR 55 HE1 TYR 55 4.716 -5.606 1.208 282 HE2 TYR 55 HE2 TYR 55 1.011 -3.679 2.269 283 HH TYR 55 HH TYR 55 1.712 -5.680 3.141 284 H GLU 56 H GLU 56 7.145 -0.212 -1.485 285 HA GLU 56 HA GLU 56 6.750 1.835 -3.451 286 HB2 GLU 56 HB2 GLU 56 9.090 -0.105 -3.373 287 HB3 GLU 56 HB3 GLU 56 9.025 1.529 -4.017 288 HG2 GLU 56 HG2 GLU 56 10.047 2.049 -2.068 289 HG3 GLU 56 HG3 GLU 56 8.410 2.099 -1.429 290 H GLY 57 H GLY 57 5.587 1.580 -5.297 291 HA2 GLY 57 HA2 GLY 57 6.063 0.148 -7.532 292 HA3 GLY 57 HA3 GLY 57 5.256 -1.068 -6.535 293 H CYS 58 H CYS 58 3.622 -1.174 -8.089 294 HA CYS 58 HA CYS 58 1.437 0.806 -7.806 295 HB2 CYS 58 HB2 CYS 58 2.476 -0.347 -10.426 296 HB3 CYS 58 HB3 CYS 58 0.877 0.367 -10.236 297 HG CYS 58 HG CYS 58 3.718 1.843 -9.377 298 H TYR 59 H TYR 59 -0.053 -0.296 -6.754 299 HA TYR 59 HA TYR 59 -0.756 -3.108 -7.496 300 HB2 TYR 59 HB2 TYR 59 0.444 -2.552 -5.272 301 HB3 TYR 59 HB3 TYR 59 -1.098 -1.909 -4.742 302 HD1 TYR 59 HD2 TYR 59 -2.928 -4.140 -5.998 303 HD2 TYR 59 HD1 TYR 59 0.733 -4.218 -3.707 304 HE1 TYR 59 HE2 TYR 59 -3.498 -6.390 -5.150 305 HE2 TYR 59 HE1 TYR 59 0.147 -6.476 -2.854 306 HH TYR 59 HH TYR 59 -2.888 -8.130 -3.806 307 H THR 60 H THR 60 -2.336 -2.592 -8.921 308 HA THR 60 HA THR 60 -4.327 -1.920 -9.804 309 HB THR 60 HB THR 60 -5.551 -2.600 -7.131 310 HG1 THR 60 HG1 THR 60 -5.282 -4.773 -7.755 311 HG21 THR 60 HG21 THR 60 -7.160 -3.829 -8.556 312 HG22 THR 60 HG22 THR 60 -6.248 -3.376 -10.011 313 HG23 THR 60 HG23 THR 60 -7.100 -2.142 -9.064 314 H GLY 61 H GLY 61 -2.980 0.374 -8.916 315 HA2 GLY 61 HA2 GLY 61 -3.391 2.654 -8.899 316 HA3 GLY 61 HA3 GLY 61 -5.095 2.293 -9.140 317 H GLY 62 H GLY 62 -3.540 1.040 -6.263 318 HA2 GLY 62 HA2 GLY 62 -5.380 2.145 -4.459 319 HA3 GLY 62 HA3 GLY 62 -3.838 1.430 -4.023 320 H TYR 63 H TYR 63 -4.634 3.192 -2.359 321 HA TYR 63 HA TYR 63 -4.896 5.841 -2.944 322 HB2 TYR 63 HB2 TYR 63 -4.080 4.697 -0.257 323 HB3 TYR 63 HB3 TYR 63 -4.959 6.190 -0.539 324 HD1 TYR 63 HD2 TYR 63 -7.293 6.066 -1.632 325 HD2 TYR 63 HD1 TYR 63 -5.230 2.599 -0.096 326 HE1 TYR 63 HE2 TYR 63 -9.448 4.812 -1.549 327 HE2 TYR 63 HE1 TYR 63 -7.384 1.348 -0.035 328 HH TYR 63 HH TYR 63 -9.624 1.389 -0.530 329 H SER 64 H SER 64 -3.807 7.678 -2.966 330 HA SER 64 HA SER 64 -0.942 7.832 -3.041 331 HB2 SER 64 HB2 SER 64 -2.975 10.083 -2.817 332 HB3 SER 64 HB3 SER 64 -1.308 10.204 -3.412 333 HG SER 64 HG SER 64 -2.867 10.066 -5.108 334 H ARG 65 H ARG 65 -3.128 8.109 -0.376 335 HA ARG 65 HA ARG 65 -1.006 9.166 1.442 336 HB2 ARG 65 HB2 ARG 65 -3.827 10.235 1.040 337 HB3 ARG 65 HB3 ARG 65 -3.002 10.465 2.567 338 HG2 ARG 65 HG2 ARG 65 -1.897 11.471 -0.091 339 HG3 ARG 65 HG3 ARG 65 -2.864 12.418 1.047 340 HD2 ARG 65 HD2 ARG 65 -1.150 11.897 2.835 341 HD3 ARG 65 HD3 ARG 65 -0.116 11.213 1.562 342 HE ARG 65 HE ARG 65 -0.801 13.763 0.655 343 HH11 ARG 65 HH11 ARG 65 0.897 12.571 3.475 344 HH12 ARG 65 HH12 ARG 65 1.792 14.053 3.675 345 HH21 ARG 65 HH21 ARG 65 0.369 15.626 0.969 346 HH22 ARG 65 HH22 ARG 65 1.499 15.723 2.285 347 H MET 66 H MET 66 -1.259 8.699 3.624 348 HA MET 66 HA MET 66 -2.274 6.037 4.046 349 HB2 MET 66 HB2 MET 66 -0.152 6.901 4.968 350 HB3 MET 66 HB3 MET 66 -1.057 7.945 6.066 351 HG2 MET 66 HG2 MET 66 -2.050 6.016 7.157 352 HG3 MET 66 HG3 MET 66 -1.398 4.916 5.948 353 HE1 MET 66 HE1 MET 66 1.591 5.506 5.527 354 HE2 MET 66 HE2 MET 66 2.311 4.511 6.808 355 HE3 MET 66 HE3 MET 66 0.910 3.906 5.898 356 H GLY 67 H GLY 67 -3.523 9.235 4.883 357 HA2 GLY 67 HA2 GLY 67 -5.531 8.407 6.786 358 HA3 GLY 67 HA3 GLY 67 -5.555 9.886 5.820 359 H GLU 68 H GLU 68 -5.445 8.445 3.273 360 HA GLU 68 HA GLU 68 -8.240 7.762 2.815 361 HB2 GLU 68 HB2 GLU 68 -5.725 7.951 1.155 362 HB3 GLU 68 HB3 GLU 68 -7.122 7.094 0.526 363 HG2 GLU 68 HG2 GLU 68 -6.973 9.464 -0.197 364 HG3 GLU 68 HG3 GLU 68 -8.500 8.988 0.539 365 H CYS 69 H CYS 69 -5.167 5.807 2.805 366 HA CYS 69 HA CYS 69 -6.587 3.349 2.291 367 HB2 CYS 69 HB2 CYS 69 -4.583 2.210 2.596 368 HB3 CYS 69 HB3 CYS 69 -4.188 3.727 1.822 369 H ALA 70 H ALA 70 -5.964 5.063 5.263 370 HA ALA 70 HA ALA 70 -6.763 2.939 7.061 371 HB1 ALA 70 HB1 ALA 70 -5.292 4.789 7.754 372 HB2 ALA 70 HB2 ALA 70 -6.562 5.976 7.398 373 HB3 ALA 70 HB3 ALA 70 -6.782 4.802 8.717 374 H ARG 71 H ARG 71 -8.500 5.970 6.040 375 HA ARG 71 HA ARG 71 -10.860 5.298 7.464 376 HB2 ARG 71 HB2 ARG 71 -11.916 7.151 6.457 377 HB3 ARG 71 HB3 ARG 71 -10.222 7.572 6.682 378 HG2 ARG 71 HG2 ARG 71 -9.855 7.006 4.215 379 HG3 ARG 71 HG3 ARG 71 -11.597 6.758 4.070 380 HD2 ARG 71 HD2 ARG 71 -11.063 8.971 3.286 381 HD3 ARG 71 HD3 ARG 71 -12.002 9.089 4.787 382 HE ARG 71 HE ARG 71 -9.147 9.110 5.292 383 HH11 ARG 71 HH11 ARG 71 -11.655 11.261 4.138 384 HH12 ARG 71 HH12 ARG 71 -10.846 12.688 4.726 385 HH21 ARG 71 HH21 ARG 71 -8.188 10.957 6.065 386 HH22 ARG 71 HH22 ARG 71 -8.913 12.509 5.770 387 H ASN 72 H ASN 72 -9.991 4.286 4.257 388 HA ASN 72 HA ASN 72 -12.651 3.212 3.592 389 HB2 ASN 72 HB2 ASN 72 -9.906 3.029 2.281 390 HB3 ASN 72 HB3 ASN 72 -11.319 2.173 1.675 391 HD21 ASN 72 HD21 ASN 72 -9.766 5.279 1.827 392 HD22 ASN 72 HD22 ASN 72 -11.015 6.115 0.890 393 H CYS 73 H CYS 73 -10.267 2.113 5.730 394 HA CYS 73 HA CYS 73 -11.194 -0.722 5.535 395 HB2 CYS 73 HB2 CYS 73 -8.512 0.494 5.296 396 HB3 CYS 73 HB3 CYS 73 -8.579 -0.798 6.461 397 HA PRO 74 HA PRO 74 -11.894 -0.628 9.882 398 HB2 PRO 74 HB2 PRO 74 -11.144 -3.070 10.835 399 HB3 PRO 74 HB3 PRO 74 -12.519 -2.844 9.710 400 HG2 PRO 74 HG2 PRO 74 -9.669 -3.618 9.036 401 HG3 PRO 74 HG3 PRO 74 -11.180 -4.429 8.507 402 HD2 PRO 74 HD2 PRO 74 -9.914 -2.638 6.913 403 HD3 PRO 74 HD3 PRO 74 -11.697 -2.685 6.994 404 H GLY 75 H GLY 75 -8.593 -1.186 8.891 405 HA2 GLY 75 HA2 GLY 75 -6.567 -0.437 9.741 406 HA3 GLY 75 HA3 GLY 75 -7.446 0.512 10.936 Start of MODEL 14 1 H1 GLY 19 H1 GLY 19 14.820 2.686 10.385 2 H2 GLY 19 H2 GLY 19 14.814 2.765 12.022 3 H3 GLY 19 H3 GLY 19 16.228 2.600 11.215 4 HA2 GLY 19 HA2 GLY 19 15.607 0.405 10.432 5 HA3 GLY 19 HA3 GLY 19 15.621 0.502 12.199 6 H ASP 20 H ASP 20 13.587 0.281 9.330 7 HA ASP 20 HA ASP 20 11.027 0.317 10.733 8 HB2 ASP 20 HB2 ASP 20 11.832 -0.594 7.938 9 HB3 ASP 20 HB3 ASP 20 10.174 -0.468 8.520 10 H LYS 21 H LYS 21 9.572 -1.453 10.904 11 HA LYS 21 HA LYS 21 10.729 -4.223 11.001 12 HB2 LYS 21 HB2 LYS 21 8.833 -2.807 12.913 13 HB3 LYS 21 HB3 LYS 21 9.171 -4.538 12.974 14 HG2 LYS 21 HG2 LYS 21 11.395 -4.238 13.705 15 HG3 LYS 21 HG3 LYS 21 11.485 -2.582 13.117 16 HD2 LYS 21 HD2 LYS 21 11.354 -2.496 15.510 17 HD3 LYS 21 HD3 LYS 21 9.908 -1.804 14.781 18 HE2 LYS 21 HE2 LYS 21 9.239 -3.099 16.697 19 HE3 LYS 21 HE3 LYS 21 8.663 -3.921 15.248 20 HZ1 LYS 21 HZ1 LYS 21 9.685 -5.463 16.840 21 HZ2 LYS 21 HZ2 LYS 21 11.105 -4.665 16.783 22 HZ3 LYS 21 HZ3 LYS 21 10.557 -5.458 15.462 23 H GLU 22 H GLU 22 9.451 -5.883 10.386 24 HA GLU 22 HA GLU 22 7.073 -5.269 8.711 25 HB2 GLU 22 HB2 GLU 22 8.858 -7.713 8.974 26 HB3 GLU 22 HB3 GLU 22 7.330 -7.724 8.095 27 HG2 GLU 22 HG2 GLU 22 9.071 -7.392 6.506 28 HG3 GLU 22 HG3 GLU 22 8.100 -5.931 6.610 29 H GLU 23 H GLU 23 5.589 -4.787 10.349 30 HA GLU 23 HA GLU 23 4.653 -7.070 12.060 31 HB2 GLU 23 HB2 GLU 23 4.187 -4.079 12.283 32 HB3 GLU 23 HB3 GLU 23 3.414 -5.304 13.301 33 HG2 GLU 23 HG2 GLU 23 5.659 -6.105 14.038 34 HG3 GLU 23 HG3 GLU 23 6.423 -4.840 13.075 35 H CYS 24 H CYS 24 3.343 -4.623 9.809 36 HA CYS 24 HA CYS 24 0.760 -6.004 9.531 37 HB2 CYS 24 HB2 CYS 24 0.741 -3.652 9.252 38 HB3 CYS 24 HB3 CYS 24 2.063 -3.688 8.088 39 H THR 25 H THR 25 1.157 -8.075 8.952 40 HA THR 25 HA THR 25 2.641 -8.803 6.493 41 HB THR 25 HB THR 25 1.839 -11.101 6.993 42 HG1 THR 25 HG1 THR 25 1.012 -10.293 9.526 43 HG21 THR 25 HG21 THR 25 3.169 -9.748 9.380 44 HG22 THR 25 HG22 THR 25 3.989 -10.328 7.916 45 HG23 THR 25 HG23 THR 25 3.183 -11.482 8.992 46 H VAL 26 H VAL 26 1.342 -10.430 5.026 47 HA VAL 26 HA VAL 26 -1.236 -9.143 4.229 48 HB VAL 26 HB VAL 26 0.706 -10.469 2.345 49 HG11 VAL 26 HG11 VAL 26 -1.587 -10.341 1.512 50 HG12 VAL 26 HG12 VAL 26 -1.610 -8.584 1.817 51 HG13 VAL 26 HG13 VAL 26 -0.517 -9.278 0.602 52 HG21 VAL 26 HG21 VAL 26 1.321 -8.170 1.566 53 HG22 VAL 26 HG22 VAL 26 0.415 -7.489 2.936 54 HG23 VAL 26 HG23 VAL 26 1.868 -8.478 3.214 55 HA PRO 27 HA PRO 27 -2.745 -13.385 4.751 56 HB2 PRO 27 HB2 PRO 27 -5.357 -13.045 4.116 57 HB3 PRO 27 HB3 PRO 27 -4.634 -12.207 5.517 58 HG2 PRO 27 HG2 PRO 27 -4.997 -11.119 2.702 59 HG3 PRO 27 HG3 PRO 27 -5.572 -10.399 4.241 60 HD2 PRO 27 HD2 PRO 27 -3.171 -9.685 3.090 61 HD3 PRO 27 HD3 PRO 27 -3.370 -9.766 4.864 62 H ILE 28 H ILE 28 -4.470 -14.746 3.287 63 HA ILE 28 HA ILE 28 -3.165 -15.681 0.961 64 HB ILE 28 HB ILE 28 -5.240 -16.954 0.547 65 HG12 ILE 28 HG12 ILE 28 -6.444 -15.523 2.961 66 HG13 ILE 28 HG13 ILE 28 -6.846 -15.132 1.290 67 HG21 ILE 28 HG21 ILE 28 -4.458 -16.985 3.493 68 HG22 ILE 28 HG22 ILE 28 -5.112 -18.325 2.533 69 HG23 ILE 28 HG23 ILE 28 -3.502 -17.700 2.177 70 HD11 ILE 28 HD11 ILE 28 -7.649 -17.460 0.931 71 HD12 ILE 28 HD12 ILE 28 -7.355 -17.801 2.655 72 HD13 ILE 28 HD13 ILE 28 -8.549 -16.581 2.182 73 H GLY 29 H GLY 29 -4.090 -15.888 -1.207 74 HA2 GLY 29 HA2 GLY 29 -5.102 -15.111 -3.171 75 HA3 GLY 29 HA3 GLY 29 -5.733 -13.701 -2.317 76 H TRP 30 H TRP 30 -3.814 -12.329 -1.383 77 HA TRP 30 HA TRP 30 -2.054 -11.448 -3.568 78 HB2 TRP 30 HB2 TRP 30 -2.237 -10.452 -0.737 79 HB3 TRP 30 HB3 TRP 30 -1.426 -9.652 -2.076 80 HD1 TRP 30 HD1 TRP 30 -3.284 -9.113 -4.230 81 HE1 TRP 30 HE1 TRP 30 -5.536 -7.867 -3.978 82 HE3 TRP 30 HE3 TRP 30 -4.095 -10.023 0.665 83 HZ2 TRP 30 HZ2 TRP 30 -7.417 -7.288 -1.850 84 HZ3 TRP 30 HZ3 TRP 30 -6.142 -9.109 1.847 85 HH2 TRP 30 HH2 TRP 30 -7.786 -7.745 0.581 86 H SER 31 H SER 31 0.231 -10.737 -2.675 87 HA SER 31 HA SER 31 1.452 -12.422 -0.662 88 HB2 SER 31 HB2 SER 31 1.798 -13.669 -2.887 89 HB3 SER 31 HB3 SER 31 2.820 -12.307 -3.374 90 HG SER 31 HG SER 31 3.183 -14.193 -1.276 91 H GLU 32 H GLU 32 3.913 -11.608 -0.554 92 HA GLU 32 HA GLU 32 3.774 -8.674 -0.235 93 HB2 GLU 32 HB2 GLU 32 5.879 -8.899 1.017 94 HB3 GLU 32 HB3 GLU 32 4.483 -9.724 1.692 95 HG2 GLU 32 HG2 GLU 32 5.347 -11.904 0.822 96 HG3 GLU 32 HG3 GLU 32 6.787 -11.075 0.226 97 HA PRO 33 HA PRO 33 5.987 -8.427 -4.194 98 HB2 PRO 33 HB2 PRO 33 5.831 -5.722 -4.606 99 HB3 PRO 33 HB3 PRO 33 4.442 -6.833 -4.822 100 HG2 PRO 33 HG2 PRO 33 5.118 -5.133 -2.409 101 HG3 PRO 33 HG3 PRO 33 3.541 -5.287 -3.250 102 HD2 PRO 33 HD2 PRO 33 4.137 -6.706 -0.998 103 HD3 PRO 33 HD3 PRO 33 3.145 -7.403 -2.313 104 H VAL 34 H VAL 34 8.120 -8.655 -4.269 105 HA VAL 34 HA VAL 34 9.984 -7.245 -2.502 106 HB VAL 34 HB VAL 34 10.257 -9.601 -3.205 107 HG11 VAL 34 HG11 VAL 34 9.645 -9.416 -5.607 108 HG12 VAL 34 HG12 VAL 34 11.142 -8.500 -5.905 109 HG13 VAL 34 HG13 VAL 34 11.216 -10.183 -5.359 110 HG21 VAL 34 HG21 VAL 34 12.651 -9.572 -3.418 111 HG22 VAL 34 HG22 VAL 34 12.645 -7.889 -3.975 112 HG23 VAL 34 HG23 VAL 34 12.155 -8.281 -2.310 113 H LYS 35 H LYS 35 8.765 -6.671 -5.695 114 HA LYS 35 HA LYS 35 10.912 -5.055 -6.760 115 HB2 LYS 35 HB2 LYS 35 7.940 -5.254 -7.434 116 HB3 LYS 35 HB3 LYS 35 9.068 -4.290 -8.377 117 HG2 LYS 35 HG2 LYS 35 9.394 -7.294 -7.948 118 HG3 LYS 35 HG3 LYS 35 8.538 -6.568 -9.310 119 HD2 LYS 35 HD2 LYS 35 10.590 -5.335 -9.966 120 HD3 LYS 35 HD3 LYS 35 11.495 -6.124 -8.670 121 HE2 LYS 35 HE2 LYS 35 10.053 -7.601 -10.920 122 HE3 LYS 35 HE3 LYS 35 11.750 -7.123 -10.987 123 HZ1 LYS 35 HZ1 LYS 35 12.166 -8.504 -9.026 124 HZ2 LYS 35 HZ2 LYS 35 11.542 -9.401 -10.234 125 HZ3 LYS 35 HZ3 LYS 35 10.597 -8.981 -8.976 126 H GLY 36 H GLY 36 10.964 -2.858 -7.179 127 HA2 GLY 36 HA2 GLY 36 9.570 -0.662 -6.702 128 HA3 GLY 36 HA3 GLY 36 9.845 -1.113 -5.021 129 H LEU 37 H LEU 37 11.955 -1.004 -7.937 130 HA LEU 37 HA LEU 37 14.200 0.123 -6.403 131 HB2 LEU 37 HB2 LEU 37 13.855 -0.656 -9.322 132 HB3 LEU 37 HB3 LEU 37 15.354 -0.020 -8.648 133 HG LEU 37 HG LEU 37 14.029 -2.585 -7.665 134 HD11 LEU 37 HD11 LEU 37 14.769 -2.805 -10.002 135 HD12 LEU 37 HD12 LEU 37 15.804 -3.743 -8.915 136 HD13 LEU 37 HD13 LEU 37 16.379 -2.190 -9.564 137 HD21 LEU 37 HD21 LEU 37 16.271 -3.012 -6.668 138 HD22 LEU 37 HD22 LEU 37 15.516 -1.578 -5.973 139 HD23 LEU 37 HD23 LEU 37 16.803 -1.397 -7.185 140 H CYS 38 H CYS 38 12.576 1.908 -5.893 141 HA CYS 38 HA CYS 38 12.840 4.204 -7.805 142 HB2 CYS 38 HB2 CYS 38 10.663 3.599 -5.760 143 HB3 CYS 38 HB3 CYS 38 10.732 5.038 -6.787 144 HG CYS 38 HG CYS 38 10.713 3.745 -9.090 145 H LYS 39 H LYS 39 13.103 6.283 -6.928 146 HA LYS 39 HA LYS 39 14.295 6.558 -4.210 147 HB2 LYS 39 HB2 LYS 39 16.314 7.628 -5.195 148 HB3 LYS 39 HB3 LYS 39 16.185 5.911 -5.453 149 HG2 LYS 39 HG2 LYS 39 15.118 7.649 -7.666 150 HG3 LYS 39 HG3 LYS 39 16.861 7.691 -7.385 151 HD2 LYS 39 HD2 LYS 39 17.040 5.266 -7.621 152 HD3 LYS 39 HD3 LYS 39 15.288 5.118 -7.837 153 HE2 LYS 39 HE2 LYS 39 15.416 6.514 -9.884 154 HE3 LYS 39 HE3 LYS 39 17.166 6.669 -9.670 155 HZ1 LYS 39 HZ1 LYS 39 16.603 4.889 -11.235 156 HZ2 LYS 39 HZ2 LYS 39 15.736 4.094 -10.103 157 HZ3 LYS 39 HZ3 LYS 39 17.354 4.258 -9.933 158 H ALA 40 H ALA 40 11.846 7.593 -5.409 159 HA ALA 40 HA ALA 40 12.262 10.506 -4.890 160 HB1 ALA 40 HB1 ALA 40 10.420 9.288 -6.995 161 HB2 ALA 40 HB2 ALA 40 10.589 11.017 -6.622 162 HB3 ALA 40 HB3 ALA 40 11.953 10.128 -7.319 163 H ARG 41 H ARG 41 10.213 11.593 -4.318 164 HA ARG 41 HA ARG 41 8.949 10.318 -2.038 165 HB2 ARG 41 HB2 ARG 41 7.944 12.492 -1.640 166 HB3 ARG 41 HB3 ARG 41 9.656 12.643 -2.008 167 HG2 ARG 41 HG2 ARG 41 9.069 13.316 -4.362 168 HG3 ARG 41 HG3 ARG 41 7.350 13.246 -3.920 169 HD2 ARG 41 HD2 ARG 41 7.689 14.975 -2.213 170 HD3 ARG 41 HD3 ARG 41 9.437 14.976 -2.526 171 HE ARG 41 HE ARG 41 8.042 15.534 -4.964 172 HH11 ARG 41 HH11 ARG 41 8.833 17.147 -1.967 173 HH12 ARG 41 HH12 ARG 41 8.803 18.728 -2.698 174 HH21 ARG 41 HH21 ARG 41 8.007 17.572 -5.844 175 HH22 ARG 41 HH22 ARG 41 8.342 18.950 -4.839 176 H PHE 42 H PHE 42 8.133 9.784 -5.094 177 HA PHE 42 HA PHE 42 5.231 10.135 -4.959 178 HB2 PHE 42 HB2 PHE 42 6.843 8.776 -7.120 179 HB3 PHE 42 HB3 PHE 42 5.236 9.491 -7.237 180 HD1 PHE 42 HD1 PHE 42 5.667 12.170 -5.922 181 HD2 PHE 42 HD2 PHE 42 8.207 9.948 -8.615 182 HE1 PHE 42 HE1 PHE 42 6.708 14.280 -6.687 183 HE2 PHE 42 HE2 PHE 42 9.271 12.061 -9.348 184 HZ PHE 42 HZ PHE 42 8.527 14.230 -8.388 185 H THR 43 H THR 43 4.761 8.826 -3.203 186 HA THR 43 HA THR 43 4.647 5.871 -3.712 187 HB THR 43 HB THR 43 4.836 6.815 -0.876 188 HG1 THR 43 HG1 THR 43 7.105 6.802 -0.994 189 HG21 THR 43 HG21 THR 43 6.051 4.495 -2.442 190 HG22 THR 43 HG22 THR 43 4.630 4.419 -1.378 191 HG23 THR 43 HG23 THR 43 6.228 4.760 -0.699 192 H ARG 44 H ARG 44 2.939 4.702 -2.582 193 HA ARG 44 HA ARG 44 0.613 6.286 -1.643 194 HB2 ARG 44 HB2 ARG 44 0.670 6.077 -4.187 195 HB3 ARG 44 HB3 ARG 44 0.432 4.342 -3.987 196 HG2 ARG 44 HG2 ARG 44 -1.788 4.673 -3.143 197 HG3 ARG 44 HG3 ARG 44 -1.461 6.340 -2.729 198 HD2 ARG 44 HD2 ARG 44 -2.938 6.133 -4.710 199 HD3 ARG 44 HD3 ARG 44 -1.473 7.096 -4.960 200 HE ARG 44 HE ARG 44 -0.968 4.377 -5.752 201 HH11 ARG 44 HH11 ARG 44 -2.542 7.253 -6.979 202 HH12 ARG 44 HH12 ARG 44 -2.292 6.774 -8.636 203 HH21 ARG 44 HH21 ARG 44 -0.727 3.819 -7.760 204 HH22 ARG 44 HH22 ARG 44 -1.238 4.849 -9.085 205 H TYR 45 H TYR 45 -1.171 4.881 -0.824 206 HA TYR 45 HA TYR 45 0.027 2.571 0.635 207 HB2 TYR 45 HB2 TYR 45 -1.958 4.564 1.722 208 HB3 TYR 45 HB3 TYR 45 -1.065 3.337 2.609 209 HD1 TYR 45 HD2 TYR 45 1.767 3.854 1.557 210 HD2 TYR 45 HD1 TYR 45 -1.362 6.538 2.780 211 HE1 TYR 45 HE2 TYR 45 3.469 5.559 2.169 212 HE2 TYR 45 HE1 TYR 45 0.347 8.264 3.353 213 HH TYR 45 HH TYR 45 2.577 8.763 3.468 214 H TYR 46 H TYR 46 -0.916 0.704 0.145 215 HA TYR 46 HA TYR 46 -3.742 0.727 -0.854 216 HB2 TYR 46 HB2 TYR 46 -1.646 -1.356 -1.435 217 HB3 TYR 46 HB3 TYR 46 -3.213 -1.174 -2.184 218 HD1 TYR 46 HD1 TYR 46 -3.292 1.778 -2.764 219 HD2 TYR 46 HD2 TYR 46 -0.122 -1.108 -3.282 220 HE1 TYR 46 HE1 TYR 46 -2.356 3.120 -4.610 221 HE2 TYR 46 HE2 TYR 46 0.818 0.263 -5.129 222 HH TYR 46 HH TYR 46 0.678 2.250 -6.272 223 H CYS 47 H CYS 47 -5.264 -0.183 0.248 224 HA CYS 47 HA CYS 47 -4.818 -1.594 2.743 225 HB2 CYS 47 HB2 CYS 47 -6.701 -0.043 2.425 226 HB3 CYS 47 HB3 CYS 47 -7.386 -1.136 1.215 227 H MET 48 H MET 48 -4.203 -3.606 2.862 228 HA MET 48 HA MET 48 -5.255 -5.754 1.074 229 HB2 MET 48 HB2 MET 48 -2.330 -5.066 1.544 230 HB3 MET 48 HB3 MET 48 -2.885 -6.652 0.979 231 HG2 MET 48 HG2 MET 48 -3.843 -5.711 -1.011 232 HG3 MET 48 HG3 MET 48 -3.545 -4.068 -0.462 233 HE1 MET 48 HE1 MET 48 -1.626 -7.466 -1.266 234 HE2 MET 48 HE2 MET 48 0.023 -6.856 -1.543 235 HE3 MET 48 HE3 MET 48 -0.671 -6.800 0.082 236 H GLY 49 H GLY 49 -6.530 -6.309 2.881 237 HA2 GLY 49 HA2 GLY 49 -6.916 -8.046 4.424 238 HA3 GLY 49 HA3 GLY 49 -5.179 -8.226 4.650 239 H ASN 50 H ASN 50 -7.721 -5.815 5.309 240 HA ASN 50 HA ASN 50 -8.187 -4.441 7.040 241 HB2 ASN 50 HB2 ASN 50 -7.138 -6.550 8.920 242 HB3 ASN 50 HB3 ASN 50 -8.502 -5.449 9.122 243 HD21 ASN 50 HD21 ASN 50 -7.941 -8.626 8.852 244 HD22 ASN 50 HD22 ASN 50 -9.367 -9.074 7.921 245 H CYS 51 H CYS 51 -5.450 -4.243 5.972 246 HA CYS 51 HA CYS 51 -4.448 -2.175 7.779 247 HB2 CYS 51 HB2 CYS 51 -3.119 -4.079 8.559 248 HB3 CYS 51 HB3 CYS 51 -2.858 -4.621 6.905 249 H CYS 52 H CYS 52 -3.225 -0.620 6.529 250 HA CYS 52 HA CYS 52 -2.914 -1.188 3.625 251 HB2 CYS 52 HB2 CYS 52 -2.978 1.264 3.245 252 HB3 CYS 52 HB3 CYS 52 -4.512 0.509 3.646 253 H LYS 53 H LYS 53 -0.994 -1.371 2.949 254 HA LYS 53 HA LYS 53 1.342 -0.537 4.632 255 HB2 LYS 53 HB2 LYS 53 0.691 -2.996 3.455 256 HB3 LYS 53 HB3 LYS 53 1.764 -2.264 2.265 257 HG2 LYS 53 HG2 LYS 53 3.416 -1.890 4.224 258 HG3 LYS 53 HG3 LYS 53 2.350 -2.977 5.145 259 HD2 LYS 53 HD2 LYS 53 2.569 -4.567 3.080 260 HD3 LYS 53 HD3 LYS 53 3.939 -3.559 2.607 261 HE2 LYS 53 HE2 LYS 53 3.580 -5.203 5.142 262 HE3 LYS 53 HE3 LYS 53 4.616 -5.594 3.770 263 HZ1 LYS 53 HZ1 LYS 53 5.940 -3.594 4.299 264 HZ2 LYS 53 HZ2 LYS 53 5.909 -4.616 5.572 265 HZ3 LYS 53 HZ3 LYS 53 4.992 -3.269 5.595 266 H VAL 54 H VAL 54 3.226 0.234 3.538 267 HA VAL 54 HA VAL 54 2.744 2.047 1.275 268 HB VAL 54 HB VAL 54 4.248 2.653 3.158 269 HG11 VAL 54 HG11 VAL 54 6.314 0.780 1.929 270 HG12 VAL 54 HG12 VAL 54 6.511 1.862 3.315 271 HG13 VAL 54 HG13 VAL 54 5.450 0.451 3.452 272 HG21 VAL 54 HG21 VAL 54 5.906 3.736 1.770 273 HG22 VAL 54 HG22 VAL 54 5.604 2.595 0.442 274 HG23 VAL 54 HG23 VAL 54 4.338 3.738 0.943 275 H TYR 55 H TYR 55 2.948 1.576 -0.826 276 HA TYR 55 HA TYR 55 4.865 -0.554 -1.622 277 HB2 TYR 55 HB2 TYR 55 2.070 -0.199 -2.737 278 HB3 TYR 55 HB3 TYR 55 3.283 -1.308 -3.356 279 HD1 TYR 55 HD1 TYR 55 4.241 -3.087 -1.653 280 HD2 TYR 55 HD2 TYR 55 0.539 -0.961 -1.101 281 HE1 TYR 55 HE1 TYR 55 3.433 -4.864 -0.078 282 HE2 TYR 55 HE2 TYR 55 -0.324 -2.811 0.328 283 HH TYR 55 HH TYR 55 0.152 -4.812 1.304 284 H GLU 56 H GLU 56 5.822 -0.285 -3.598 285 HA GLU 56 HA GLU 56 5.900 2.469 -4.711 286 HB2 GLU 56 HB2 GLU 56 7.573 -0.020 -5.248 287 HB3 GLU 56 HB3 GLU 56 7.866 1.556 -5.968 288 HG2 GLU 56 HG2 GLU 56 8.008 0.913 -2.976 289 HG3 GLU 56 HG3 GLU 56 9.379 1.031 -4.068 290 H GLY 57 H GLY 57 5.670 2.836 -6.982 291 HA2 GLY 57 HA2 GLY 57 4.764 2.589 -9.093 292 HA3 GLY 57 HA3 GLY 57 4.732 0.843 -8.853 293 H CYS 58 H CYS 58 2.767 1.418 -10.237 294 HA CYS 58 HA CYS 58 0.435 2.528 -8.812 295 HB2 CYS 58 HB2 CYS 58 0.796 1.719 -11.704 296 HB3 CYS 58 HB3 CYS 58 -0.571 2.614 -11.047 297 HG CYS 58 HG CYS 58 2.624 3.542 -11.041 298 H TYR 59 H TYR 59 1.392 -0.268 -8.246 299 HA TYR 59 HA TYR 59 0.218 -2.386 -9.386 300 HB2 TYR 59 HB2 TYR 59 1.735 -2.602 -7.559 301 HB3 TYR 59 HB3 TYR 59 0.631 -1.808 -6.447 302 HD1 TYR 59 HD2 TYR 59 0.578 -4.808 -8.760 303 HD2 TYR 59 HD1 TYR 59 -0.427 -3.171 -4.890 304 HE1 TYR 59 HE2 TYR 59 -0.352 -7.008 -8.064 305 HE2 TYR 59 HE1 TYR 59 -1.333 -5.376 -4.196 306 HH TYR 59 HH TYR 59 -1.373 -8.198 -6.411 307 H THR 60 H THR 60 -1.632 -0.372 -7.088 308 HA THR 60 HA THR 60 -4.154 -1.104 -8.304 309 HB THR 60 HB THR 60 -3.708 -1.918 -5.393 310 HG1 THR 60 HG1 THR 60 -3.307 -3.259 -7.588 311 HG21 THR 60 HG21 THR 60 -6.040 -2.779 -5.571 312 HG22 THR 60 HG22 THR 60 -6.174 -2.032 -7.184 313 HG23 THR 60 HG23 THR 60 -5.978 -1.021 -5.737 314 H GLY 61 H GLY 61 -3.944 1.157 -8.729 315 HA2 GLY 61 HA2 GLY 61 -3.433 3.266 -7.016 316 HA3 GLY 61 HA3 GLY 61 -4.484 3.378 -8.421 317 H GLY 62 H GLY 62 -4.314 3.365 -5.002 318 HA2 GLY 62 HA2 GLY 62 -7.289 3.612 -4.659 319 HA3 GLY 62 HA3 GLY 62 -6.230 2.799 -3.522 320 H TYR 63 H TYR 63 -4.908 4.067 -2.127 321 HA TYR 63 HA TYR 63 -6.039 6.790 -1.641 322 HB2 TYR 63 HB2 TYR 63 -5.182 4.669 0.321 323 HB3 TYR 63 HB3 TYR 63 -5.896 6.228 0.729 324 HD1 TYR 63 HD2 TYR 63 -8.288 6.704 -0.339 325 HD2 TYR 63 HD1 TYR 63 -6.561 2.782 0.191 326 HE1 TYR 63 HE2 TYR 63 -10.557 5.690 -0.436 327 HE2 TYR 63 HE1 TYR 63 -8.844 1.773 0.104 328 HH TYR 63 HH TYR 63 -11.770 3.743 -0.481 329 H SER 64 H SER 64 -4.651 8.382 -1.853 330 HA SER 64 HA SER 64 -1.759 8.095 -1.528 331 HB2 SER 64 HB2 SER 64 -3.450 10.538 -2.132 332 HB3 SER 64 HB3 SER 64 -1.683 10.414 -2.274 333 HG SER 64 HG SER 64 -2.753 10.061 -4.284 334 H ARG 65 H ARG 65 -4.081 8.554 0.804 335 HA ARG 65 HA ARG 65 -2.093 9.792 2.669 336 HB2 ARG 65 HB2 ARG 65 -5.072 10.402 2.470 337 HB3 ARG 65 HB3 ARG 65 -4.149 10.745 3.918 338 HG2 ARG 65 HG2 ARG 65 -3.393 11.898 1.200 339 HG3 ARG 65 HG3 ARG 65 -4.466 12.702 2.356 340 HD2 ARG 65 HD2 ARG 65 -2.703 12.669 4.077 341 HD3 ARG 65 HD3 ARG 65 -1.596 11.862 2.948 342 HE ARG 65 HE ARG 65 -2.489 14.239 1.699 343 HH11 ARG 65 HH11 ARG 65 -0.510 13.399 4.459 344 HH12 ARG 65 HH12 ARG 65 0.458 14.841 4.327 345 HH21 ARG 65 HH21 ARG 65 -1.220 16.058 1.576 346 HH22 ARG 65 HH22 ARG 65 0.055 16.304 2.731 347 H MET 66 H MET 66 -1.835 8.863 4.575 348 HA MET 66 HA MET 66 -2.737 6.161 4.875 349 HB2 MET 66 HB2 MET 66 -0.539 7.006 5.575 350 HB3 MET 66 HB3 MET 66 -1.291 7.907 6.888 351 HG2 MET 66 HG2 MET 66 -1.973 5.895 7.994 352 HG3 MET 66 HG3 MET 66 -1.675 4.905 6.565 353 HE1 MET 66 HE1 MET 66 0.516 3.836 5.884 354 HE2 MET 66 HE2 MET 66 1.127 5.451 5.462 355 HE3 MET 66 HE3 MET 66 2.116 4.359 6.450 356 H GLY 67 H GLY 67 -3.989 9.188 6.116 357 HA2 GLY 67 HA2 GLY 67 -5.773 8.077 8.121 358 HA3 GLY 67 HA3 GLY 67 -5.896 9.669 7.365 359 H GLU 68 H GLU 68 -6.031 8.621 4.629 360 HA GLU 68 HA GLU 68 -8.871 7.909 4.455 361 HB2 GLU 68 HB2 GLU 68 -6.719 8.211 2.331 362 HB3 GLU 68 HB3 GLU 68 -8.384 7.769 1.988 363 HG2 GLU 68 HG2 GLU 68 -7.445 10.357 3.281 364 HG3 GLU 68 HG3 GLU 68 -7.992 10.155 1.619 365 H CYS 69 H CYS 69 -5.767 6.202 3.727 366 HA CYS 69 HA CYS 69 -7.091 3.846 2.799 367 HB2 CYS 69 HB2 CYS 69 -5.016 2.853 2.628 368 HB3 CYS 69 HB3 CYS 69 -4.707 4.559 2.385 369 H ALA 70 H ALA 70 -6.384 4.903 6.026 370 HA ALA 70 HA ALA 70 -7.146 2.420 7.354 371 HB1 ALA 70 HB1 ALA 70 -7.078 3.903 9.372 372 HB2 ALA 70 HB2 ALA 70 -5.601 4.026 8.393 373 HB3 ALA 70 HB3 ALA 70 -6.819 5.311 8.312 374 H ARG 71 H ARG 71 -8.799 5.660 7.238 375 HA ARG 71 HA ARG 71 -11.097 4.683 8.558 376 HB2 ARG 71 HB2 ARG 71 -12.085 6.785 8.267 377 HB3 ARG 71 HB3 ARG 71 -10.354 7.082 8.363 378 HG2 ARG 71 HG2 ARG 71 -10.350 7.178 5.801 379 HG3 ARG 71 HG3 ARG 71 -12.108 7.068 5.856 380 HD2 ARG 71 HD2 ARG 71 -11.506 9.370 5.587 381 HD3 ARG 71 HD3 ARG 71 -12.215 9.145 7.197 382 HE ARG 71 HE ARG 71 -9.370 8.875 7.367 383 HH11 ARG 71 HH11 ARG 71 -11.622 11.451 6.678 384 HH12 ARG 71 HH12 ARG 71 -10.621 12.675 7.410 385 HH21 ARG 71 HH21 ARG 71 -8.171 10.460 8.388 386 HH22 ARG 71 HH22 ARG 71 -8.689 12.118 8.311 387 H ASN 72 H ASN 72 -10.497 4.602 5.127 388 HA ASN 72 HA ASN 72 -13.286 3.877 4.461 389 HB2 ASN 72 HB2 ASN 72 -10.763 3.985 2.758 390 HB3 ASN 72 HB3 ASN 72 -12.386 3.650 2.164 391 HD21 ASN 72 HD21 ASN 72 -10.201 6.101 3.077 392 HD22 ASN 72 HD22 ASN 72 -11.220 7.498 2.741 393 H CYS 73 H CYS 73 -10.746 2.123 5.808 394 HA CYS 73 HA CYS 73 -11.751 -0.476 4.739 395 HB2 CYS 73 HB2 CYS 73 -9.043 0.630 4.981 396 HB3 CYS 73 HB3 CYS 73 -9.192 -0.875 5.847 397 HA PRO 74 HA PRO 74 -12.851 -1.631 8.825 398 HB2 PRO 74 HB2 PRO 74 -12.293 -4.274 9.085 399 HB3 PRO 74 HB3 PRO 74 -13.454 -3.657 7.867 400 HG2 PRO 74 HG2 PRO 74 -10.528 -4.339 7.472 401 HG3 PRO 74 HG3 PRO 74 -11.925 -4.891 6.491 402 HD2 PRO 74 HD2 PRO 74 -10.362 -2.783 5.794 403 HD3 PRO 74 HD3 PRO 74 -12.121 -2.790 5.445 404 H GLY 75 H GLY 75 -9.521 -1.602 8.146 405 HA2 GLY 75 HA2 GLY 75 -8.720 -1.003 10.858 406 HA3 GLY 75 HA3 GLY 75 -8.073 -2.548 10.294 Start of MODEL 15 1 H1 GLY 19 H1 GLY 19 10.580 2.891 18.926 2 H2 GLY 19 H2 GLY 19 9.031 2.369 18.897 3 H3 GLY 19 H3 GLY 19 10.145 1.579 19.801 4 HA2 GLY 19 HA2 GLY 19 10.136 1.734 16.849 5 HA3 GLY 19 HA3 GLY 19 11.362 0.917 17.826 6 H ASP 20 H ASP 20 7.980 0.833 16.778 7 HA ASP 20 HA ASP 20 7.364 -1.636 18.216 8 HB2 ASP 20 HB2 ASP 20 5.777 0.259 17.921 9 HB3 ASP 20 HB3 ASP 20 5.728 -0.067 16.189 10 H LYS 21 H LYS 21 8.307 -3.434 17.476 11 HA LYS 21 HA LYS 21 9.081 -4.004 14.754 12 HB2 LYS 21 HB2 LYS 21 8.843 -5.671 17.287 13 HB3 LYS 21 HB3 LYS 21 9.182 -6.431 15.740 14 HG2 LYS 21 HG2 LYS 21 11.244 -6.097 16.869 15 HG3 LYS 21 HG3 LYS 21 11.205 -5.076 15.433 16 HD2 LYS 21 HD2 LYS 21 10.807 -3.091 16.787 17 HD3 LYS 21 HD3 LYS 21 10.614 -4.080 18.257 18 HE2 LYS 21 HE2 LYS 21 12.965 -4.861 18.013 19 HE3 LYS 21 HE3 LYS 21 13.147 -3.860 16.567 20 HZ1 LYS 21 HZ1 LYS 21 14.003 -2.732 18.543 21 HZ2 LYS 21 HZ2 LYS 21 12.554 -2.824 19.290 22 HZ3 LYS 21 HZ3 LYS 21 12.727 -1.900 17.955 23 H GLU 22 H GLU 22 6.030 -4.642 16.437 24 HA GLU 22 HA GLU 22 5.064 -6.557 14.455 25 HB2 GLU 22 HB2 GLU 22 4.590 -6.793 16.854 26 HB3 GLU 22 HB3 GLU 22 3.856 -5.197 16.897 27 HG2 GLU 22 HG2 GLU 22 2.151 -6.879 16.889 28 HG3 GLU 22 HG3 GLU 22 2.070 -5.912 15.420 29 H GLU 23 H GLU 23 4.357 -5.842 12.510 30 HA GLU 23 HA GLU 23 2.581 -3.479 12.339 31 HB2 GLU 23 HB2 GLU 23 3.800 -2.492 10.511 32 HB3 GLU 23 HB3 GLU 23 4.860 -2.630 11.909 33 HG2 GLU 23 HG2 GLU 23 5.881 -4.693 10.895 34 HG3 GLU 23 HG3 GLU 23 4.862 -4.472 9.473 35 H CYS 24 H CYS 24 1.552 -3.280 10.149 36 HA CYS 24 HA CYS 24 0.372 -5.760 9.284 37 HB2 CYS 24 HB2 CYS 24 0.398 -3.005 7.993 38 HB3 CYS 24 HB3 CYS 24 -0.616 -4.356 7.495 39 H THR 25 H THR 25 0.912 -7.130 7.693 40 HA THR 25 HA THR 25 3.008 -6.442 5.680 41 HB THR 25 HB THR 25 3.835 -8.785 5.839 42 HG1 THR 25 HG1 THR 25 2.179 -9.855 6.833 43 HG21 THR 25 HG21 THR 25 4.041 -7.305 8.489 44 HG22 THR 25 HG22 THR 25 5.011 -6.958 7.038 45 HG23 THR 25 HG23 THR 25 5.155 -8.528 7.850 46 H VAL 26 H VAL 26 3.008 -8.197 3.896 47 HA VAL 26 HA VAL 26 0.609 -7.971 2.467 48 HB VAL 26 HB VAL 26 2.795 -10.010 2.061 49 HG11 VAL 26 HG11 VAL 26 0.812 -9.060 0.040 50 HG12 VAL 26 HG12 VAL 26 2.241 -10.058 -0.275 51 HG13 VAL 26 HG13 VAL 26 0.967 -10.683 0.761 52 HG21 VAL 26 HG21 VAL 26 3.703 -7.676 2.037 53 HG22 VAL 26 HG22 VAL 26 3.706 -8.345 0.411 54 HG23 VAL 26 HG23 VAL 26 2.435 -7.210 0.886 55 HA PRO 27 HA PRO 27 -1.885 -11.246 4.291 56 HB2 PRO 27 HB2 PRO 27 -3.817 -11.497 2.328 57 HB3 PRO 27 HB3 PRO 27 -3.729 -10.137 3.484 58 HG2 PRO 27 HG2 PRO 27 -2.669 -10.220 0.635 59 HG3 PRO 27 HG3 PRO 27 -3.653 -8.943 1.415 60 HD2 PRO 27 HD2 PRO 27 -0.942 -8.794 1.201 61 HD3 PRO 27 HD3 PRO 27 -1.790 -8.169 2.649 62 H ILE 28 H ILE 28 -2.430 -13.462 4.017 63 HA ILE 28 HA ILE 28 -0.433 -15.025 2.783 64 HB ILE 28 HB ILE 28 -1.868 -16.991 3.273 65 HG12 ILE 28 HG12 ILE 28 -3.844 -15.004 4.491 66 HG13 ILE 28 HG13 ILE 28 -4.108 -15.863 2.972 67 HG21 ILE 28 HG21 ILE 28 -0.239 -15.977 4.869 68 HG22 ILE 28 HG22 ILE 28 -1.556 -15.023 5.585 69 HG23 ILE 28 HG23 ILE 28 -1.570 -16.796 5.682 70 HD11 ILE 28 HD11 ILE 28 -3.945 -18.041 4.178 71 HD12 ILE 28 HD12 ILE 28 -3.830 -17.146 5.714 72 HD13 ILE 28 HD13 ILE 28 -5.288 -17.016 4.721 73 H GLY 29 H GLY 29 -0.164 -16.095 0.970 74 HA2 GLY 29 HA2 GLY 29 -0.517 -16.969 -1.142 75 HA3 GLY 29 HA3 GLY 29 -2.218 -16.541 -1.046 76 H TRP 30 H TRP 30 -1.030 -13.541 -0.464 77 HA TRP 30 HA TRP 30 -1.288 -12.704 -3.206 78 HB2 TRP 30 HB2 TRP 30 -1.919 -11.624 -0.871 79 HB3 TRP 30 HB3 TRP 30 -0.301 -10.959 -0.962 80 HD1 TRP 30 HD1 TRP 30 -3.722 -10.895 -2.593 81 HE1 TRP 30 HE1 TRP 30 -3.986 -8.776 -4.070 82 HE3 TRP 30 HE3 TRP 30 1.037 -9.142 -2.312 83 HZ2 TRP 30 HZ2 TRP 30 -2.292 -6.669 -5.070 84 HZ3 TRP 30 HZ3 TRP 30 1.718 -7.069 -3.547 85 HH2 TRP 30 HH2 TRP 30 0.061 -5.837 -4.922 86 H SER 31 H SER 31 0.259 -11.703 -4.519 87 HA SER 31 HA SER 31 3.012 -12.725 -4.163 88 HB2 SER 31 HB2 SER 31 1.703 -13.101 -6.257 89 HB3 SER 31 HB3 SER 31 1.801 -11.364 -6.587 90 HG SER 31 HG SER 31 3.929 -13.264 -6.367 91 H GLU 32 H GLU 32 4.054 -11.432 -2.768 92 HA GLU 32 HA GLU 32 3.827 -8.653 -2.493 93 HB2 GLU 32 HB2 GLU 32 5.763 -8.753 -1.046 94 HB3 GLU 32 HB3 GLU 32 4.668 -10.085 -0.776 95 HG2 GLU 32 HG2 GLU 32 6.729 -11.073 -0.576 96 HG3 GLU 32 HG3 GLU 32 6.187 -11.565 -2.170 97 HA PRO 33 HA PRO 33 5.958 -6.990 -5.926 98 HB2 PRO 33 HB2 PRO 33 6.177 -4.361 -5.290 99 HB3 PRO 33 HB3 PRO 33 4.599 -5.179 -5.458 100 HG2 PRO 33 HG2 PRO 33 6.125 -4.626 -2.895 101 HG3 PRO 33 HG3 PRO 33 4.400 -4.296 -3.278 102 HD2 PRO 33 HD2 PRO 33 5.222 -6.552 -1.938 103 HD3 PRO 33 HD3 PRO 33 3.807 -6.530 -3.030 104 H VAL 34 H VAL 34 7.839 -8.338 -5.586 105 HA VAL 34 HA VAL 34 10.154 -7.638 -4.129 106 HB VAL 34 HB VAL 34 9.619 -9.862 -5.067 107 HG11 VAL 34 HG11 VAL 34 8.998 -9.193 -7.389 108 HG12 VAL 34 HG12 VAL 34 10.716 -8.855 -7.717 109 HG13 VAL 34 HG13 VAL 34 10.189 -10.497 -7.319 110 HG21 VAL 34 HG21 VAL 34 11.885 -10.577 -5.492 111 HG22 VAL 34 HG22 VAL 34 12.398 -8.919 -5.859 112 HG23 VAL 34 HG23 VAL 34 11.883 -9.353 -4.212 113 H LYS 35 H LYS 35 9.134 -6.512 -7.231 114 HA LYS 35 HA LYS 35 11.631 -5.121 -7.955 115 HB2 LYS 35 HB2 LYS 35 8.833 -5.301 -9.143 116 HB3 LYS 35 HB3 LYS 35 10.101 -4.308 -9.869 117 HG2 LYS 35 HG2 LYS 35 10.282 -7.325 -9.466 118 HG3 LYS 35 HG3 LYS 35 9.825 -6.515 -10.961 119 HD2 LYS 35 HD2 LYS 35 12.039 -5.401 -11.064 120 HD3 LYS 35 HD3 LYS 35 12.532 -6.238 -9.576 121 HE2 LYS 35 HE2 LYS 35 12.184 -8.425 -10.671 122 HE3 LYS 35 HE3 LYS 35 11.686 -7.612 -12.160 123 HZ1 LYS 35 HZ1 LYS 35 14.372 -7.362 -10.907 124 HZ2 LYS 35 HZ2 LYS 35 13.910 -6.626 -12.290 125 HZ3 LYS 35 HZ3 LYS 35 14.033 -8.249 -12.231 126 H GLY 36 H GLY 36 9.265 -4.324 -5.759 127 HA2 GLY 36 HA2 GLY 36 9.267 -1.392 -6.234 128 HA3 GLY 36 HA3 GLY 36 8.375 -2.278 -4.996 129 H LEU 37 H LEU 37 9.017 -1.143 -3.260 130 HA LEU 37 HA LEU 37 10.151 -0.645 -1.375 131 HB2 LEU 37 HB2 LEU 37 12.244 -2.659 -2.225 132 HB3 LEU 37 HB3 LEU 37 11.876 -2.126 -0.595 133 HG LEU 37 HG LEU 37 10.012 -3.784 -2.362 134 HD11 LEU 37 HD11 LEU 37 11.682 -4.563 0.057 135 HD12 LEU 37 HD12 LEU 37 12.008 -5.015 -1.632 136 HD13 LEU 37 HD13 LEU 37 10.547 -5.610 -0.828 137 HD21 LEU 37 HD21 LEU 37 9.772 -2.973 0.572 138 HD22 LEU 37 HD22 LEU 37 8.708 -4.112 -0.288 139 HD23 LEU 37 HD23 LEU 37 8.732 -2.409 -0.757 140 H CYS 38 H CYS 38 11.074 0.705 -4.057 141 HA CYS 38 HA CYS 38 13.820 1.537 -3.542 142 HB2 CYS 38 HB2 CYS 38 12.720 1.270 -5.795 143 HB3 CYS 38 HB3 CYS 38 11.742 2.702 -5.446 144 HG CYS 38 HG CYS 38 13.681 4.399 -5.221 145 H LYS 39 H LYS 39 14.547 3.572 -2.973 146 HA LYS 39 HA LYS 39 13.069 5.048 -0.969 147 HB2 LYS 39 HB2 LYS 39 15.634 4.264 -1.295 148 HB3 LYS 39 HB3 LYS 39 15.810 5.873 -1.948 149 HG2 LYS 39 HG2 LYS 39 14.591 5.171 0.767 150 HG3 LYS 39 HG3 LYS 39 16.302 5.475 0.526 151 HD2 LYS 39 HD2 LYS 39 14.092 7.531 0.109 152 HD3 LYS 39 HD3 LYS 39 15.161 7.408 1.507 153 HE2 LYS 39 HE2 LYS 39 17.146 7.740 0.032 154 HE3 LYS 39 HE3 LYS 39 16.068 7.934 -1.358 155 HZ1 LYS 39 HZ1 LYS 39 16.716 10.079 -0.434 156 HZ2 LYS 39 HZ2 LYS 39 16.093 9.706 1.026 157 HZ3 LYS 39 HZ3 LYS 39 15.106 9.879 -0.268 158 H ALA 40 H ALA 40 11.743 5.409 -3.399 159 HA ALA 40 HA ALA 40 12.443 7.885 -4.739 160 HB1 ALA 40 HB1 ALA 40 10.230 7.635 -5.813 161 HB2 ALA 40 HB2 ALA 40 11.108 6.097 -5.811 162 HB3 ALA 40 HB3 ALA 40 9.795 6.369 -4.644 163 H ARG 41 H ARG 41 11.189 9.822 -4.775 164 HA ARG 41 HA ARG 41 10.373 10.815 -2.112 165 HB2 ARG 41 HB2 ARG 41 10.517 13.010 -3.049 166 HB3 ARG 41 HB3 ARG 41 11.944 12.091 -3.505 167 HG2 ARG 41 HG2 ARG 41 10.943 11.687 -5.767 168 HG3 ARG 41 HG3 ARG 41 9.552 12.684 -5.318 169 HD2 ARG 41 HD2 ARG 41 12.446 13.636 -5.379 170 HD3 ARG 41 HD3 ARG 41 11.278 13.855 -6.691 171 HE ARG 41 HE ARG 41 10.116 14.926 -4.331 172 HH11 ARG 41 HH11 ARG 41 12.745 15.727 -6.487 173 HH12 ARG 41 HH12 ARG 41 12.638 17.433 -6.139 174 HH21 ARG 41 HH21 ARG 41 10.030 17.100 -3.913 175 HH22 ARG 41 HH22 ARG 41 11.133 18.179 -4.714 176 H PHE 42 H PHE 42 8.617 9.191 -4.292 177 HA PHE 42 HA PHE 42 6.049 10.392 -3.527 178 HB2 PHE 42 HB2 PHE 42 5.223 10.477 -5.793 179 HB3 PHE 42 HB3 PHE 42 6.617 11.524 -5.634 180 HD1 PHE 42 HD2 PHE 42 8.884 10.726 -6.565 181 HD2 PHE 42 HD1 PHE 42 5.168 8.722 -7.439 182 HE1 PHE 42 HE2 PHE 42 9.968 9.552 -8.459 183 HE2 PHE 42 HE1 PHE 42 6.253 7.553 -9.338 184 HZ PHE 42 HZ PHE 42 8.664 7.945 -9.829 185 H THR 43 H THR 43 4.852 8.782 -2.784 186 HA THR 43 HA THR 43 4.737 6.166 -4.130 187 HB THR 43 HB THR 43 5.132 6.166 -1.117 188 HG1 THR 43 HG1 THR 43 7.127 6.132 -3.119 189 HG21 THR 43 HG21 THR 43 6.165 3.891 -1.823 190 HG22 THR 43 HG22 THR 43 5.416 4.177 -3.397 191 HG23 THR 43 HG23 THR 43 4.406 4.056 -1.935 192 H ARG 44 H ARG 44 2.975 4.750 -3.107 193 HA ARG 44 HA ARG 44 0.656 6.383 -2.141 194 HB2 ARG 44 HB2 ARG 44 0.822 5.956 -4.658 195 HB3 ARG 44 HB3 ARG 44 0.550 4.251 -4.320 196 HG2 ARG 44 HG2 ARG 44 -1.671 4.670 -3.541 197 HG3 ARG 44 HG3 ARG 44 -1.393 6.391 -3.361 198 HD2 ARG 44 HD2 ARG 44 -1.260 5.049 -6.075 199 HD3 ARG 44 HD3 ARG 44 -2.759 5.677 -5.383 200 HE ARG 44 HE ARG 44 -0.581 7.628 -5.392 201 HH11 ARG 44 HH11 ARG 44 -3.194 6.389 -7.337 202 HH12 ARG 44 HH12 ARG 44 -3.296 7.839 -8.307 203 HH21 ARG 44 HH21 ARG 44 -0.754 9.457 -6.631 204 HH22 ARG 44 HH22 ARG 44 -1.941 9.528 -7.902 205 H TYR 45 H TYR 45 -1.134 5.048 -1.198 206 HA TYR 45 HA TYR 45 0.066 2.844 0.430 207 HB2 TYR 45 HB2 TYR 45 -1.748 5.025 1.458 208 HB3 TYR 45 HB3 TYR 45 -0.921 3.775 2.380 209 HD1 TYR 45 HD2 TYR 45 1.891 3.955 1.344 210 HD2 TYR 45 HD1 TYR 45 -0.958 7.040 2.268 211 HE1 TYR 45 HE2 TYR 45 3.756 5.542 1.836 212 HE2 TYR 45 HE1 TYR 45 0.896 8.629 2.717 213 HH TYR 45 HH TYR 45 3.168 8.921 2.823 214 H TYR 46 H TYR 46 -0.913 1.052 -0.124 215 HA TYR 46 HA TYR 46 -3.791 1.101 -0.903 216 HB2 TYR 46 HB2 TYR 46 -1.698 -1.006 -1.444 217 HB3 TYR 46 HB3 TYR 46 -3.317 -0.939 -2.118 218 HD1 TYR 46 HD1 TYR 46 -3.608 1.903 -2.916 219 HD2 TYR 46 HD2 TYR 46 -0.247 -0.772 -3.304 220 HE1 TYR 46 HE1 TYR 46 -2.846 3.160 -4.917 221 HE2 TYR 46 HE2 TYR 46 0.508 0.489 -5.323 222 HH TYR 46 HH TYR 46 -0.053 2.103 -6.862 223 H CYS 47 H CYS 47 -5.280 0.300 0.297 224 HA CYS 47 HA CYS 47 -4.793 -1.286 2.709 225 HB2 CYS 47 HB2 CYS 47 -6.605 0.383 2.655 226 HB3 CYS 47 HB3 CYS 47 -7.409 -0.552 1.385 227 H MET 48 H MET 48 -4.047 -3.245 2.395 228 HA MET 48 HA MET 48 -5.541 -5.194 0.716 229 HB2 MET 48 HB2 MET 48 -3.415 -6.099 -0.116 230 HB3 MET 48 HB3 MET 48 -3.774 -4.461 -0.647 231 HG2 MET 48 HG2 MET 48 -1.671 -3.980 -0.152 232 HG3 MET 48 HG3 MET 48 -2.208 -3.889 1.512 233 HE1 MET 48 HE1 MET 48 0.408 -7.048 -0.497 234 HE2 MET 48 HE2 MET 48 -1.329 -7.293 -0.770 235 HE3 MET 48 HE3 MET 48 -0.533 -5.773 -1.272 236 H GLY 49 H GLY 49 -6.312 -6.672 2.010 237 HA2 GLY 49 HA2 GLY 49 -6.458 -8.281 3.705 238 HA3 GLY 49 HA3 GLY 49 -4.758 -8.023 4.097 239 H ASN 50 H ASN 50 -7.688 -5.985 4.121 240 HA ASN 50 HA ASN 50 -8.718 -4.620 5.524 241 HB2 ASN 50 HB2 ASN 50 -7.599 -6.466 7.663 242 HB3 ASN 50 HB3 ASN 50 -8.914 -5.323 7.866 243 HD21 ASN 50 HD21 ASN 50 -8.603 -8.484 7.758 244 HD22 ASN 50 HD22 ASN 50 -10.026 -8.887 6.804 245 H CYS 51 H CYS 51 -5.367 -4.595 5.725 246 HA CYS 51 HA CYS 51 -5.342 -1.938 7.117 247 HB2 CYS 51 HB2 CYS 51 -4.394 -3.822 8.473 248 HB3 CYS 51 HB3 CYS 51 -3.251 -4.151 7.175 249 H CYS 52 H CYS 52 -3.602 -0.476 6.326 250 HA CYS 52 HA CYS 52 -2.777 -1.095 3.526 251 HB2 CYS 52 HB2 CYS 52 -2.628 1.316 3.154 252 HB3 CYS 52 HB3 CYS 52 -4.259 0.770 3.505 253 H LYS 53 H LYS 53 -0.827 -0.637 2.779 254 HA LYS 53 HA LYS 53 1.285 0.413 4.594 255 HB2 LYS 53 HB2 LYS 53 1.087 -2.308 4.328 256 HB3 LYS 53 HB3 LYS 53 2.067 -1.934 2.915 257 HG2 LYS 53 HG2 LYS 53 3.614 -0.628 4.562 258 HG3 LYS 53 HG3 LYS 53 2.669 -1.395 5.839 259 HD2 LYS 53 HD2 LYS 53 4.590 -2.749 5.534 260 HD3 LYS 53 HD3 LYS 53 3.265 -3.647 4.771 261 HE2 LYS 53 HE2 LYS 53 3.974 -2.872 2.548 262 HE3 LYS 53 HE3 LYS 53 5.202 -1.825 3.265 263 HZ1 LYS 53 HZ1 LYS 53 6.310 -3.829 4.120 264 HZ2 LYS 53 HZ2 LYS 53 6.188 -3.888 2.494 265 HZ3 LYS 53 HZ3 LYS 53 5.186 -4.791 3.418 266 H VAL 54 H VAL 54 3.335 0.797 3.390 267 HA VAL 54 HA VAL 54 2.906 2.220 0.880 268 HB VAL 54 HB VAL 54 4.446 2.988 2.701 269 HG11 VAL 54 HG11 VAL 54 6.698 2.177 2.877 270 HG12 VAL 54 HG12 VAL 54 5.628 0.792 3.153 271 HG13 VAL 54 HG13 VAL 54 6.457 0.993 1.586 272 HG21 VAL 54 HG21 VAL 54 6.097 3.897 1.176 273 HG22 VAL 54 HG22 VAL 54 5.731 2.636 -0.019 274 HG23 VAL 54 HG23 VAL 54 4.507 3.862 0.394 275 H TYR 55 H TYR 55 3.066 1.507 -1.100 276 HA TYR 55 HA TYR 55 4.861 -0.718 -1.809 277 HB2 TYR 55 HB2 TYR 55 1.893 -0.708 -2.477 278 HB3 TYR 55 HB3 TYR 55 3.069 -1.820 -3.159 279 HD1 TYR 55 HD2 TYR 55 4.541 -3.150 -1.341 280 HD2 TYR 55 HD1 TYR 55 0.629 -1.470 -0.635 281 HE1 TYR 55 HE2 TYR 55 4.198 -4.731 0.562 282 HE2 TYR 55 HE1 TYR 55 0.308 -3.024 1.268 283 HH TYR 55 HH TYR 55 1.205 -4.773 2.480 284 H GLU 56 H GLU 56 5.051 -0.930 -4.191 285 HA GLU 56 HA GLU 56 4.676 1.669 -5.636 286 HB2 GLU 56 HB2 GLU 56 7.126 -0.133 -5.648 287 HB3 GLU 56 HB3 GLU 56 6.856 1.262 -6.701 288 HG2 GLU 56 HG2 GLU 56 6.673 2.696 -4.622 289 HG3 GLU 56 HG3 GLU 56 7.208 1.304 -3.669 290 H GLY 57 H GLY 57 3.101 1.208 -7.049 291 HA2 GLY 57 HA2 GLY 57 3.313 -0.163 -9.416 292 HA3 GLY 57 HA3 GLY 57 2.695 -1.385 -8.290 293 H CYS 58 H CYS 58 0.981 -1.039 -10.150 294 HA CYS 58 HA CYS 58 -0.972 1.117 -9.491 295 HB2 CYS 58 HB2 CYS 58 -0.751 -0.770 -11.869 296 HB3 CYS 58 HB3 CYS 58 -2.024 0.440 -11.638 297 HG CYS 58 HG CYS 58 -0.293 1.337 -13.396 298 H TYR 59 H TYR 59 -2.170 0.499 -7.766 299 HA TYR 59 HA TYR 59 -3.593 -2.138 -7.855 300 HB2 TYR 59 HB2 TYR 59 -1.743 -1.761 -6.132 301 HB3 TYR 59 HB3 TYR 59 -2.847 -0.652 -5.345 302 HD1 TYR 59 HD2 TYR 59 -5.337 -2.775 -6.160 303 HD2 TYR 59 HD1 TYR 59 -1.580 -2.938 -4.019 304 HE1 TYR 59 HE2 TYR 59 -6.175 -4.664 -4.829 305 HE2 TYR 59 HE1 TYR 59 -2.443 -4.860 -2.693 306 HH TYR 59 HH TYR 59 -5.739 -6.176 -3.174 307 H THR 60 H THR 60 -5.258 -1.270 -9.003 308 HA THR 60 HA THR 60 -7.227 -0.321 -9.494 309 HB THR 60 HB THR 60 -7.583 -2.169 -7.839 310 HG1 THR 60 HG1 THR 60 -9.205 -1.493 -9.171 311 HG21 THR 60 HG21 THR 60 -8.521 0.056 -5.988 312 HG22 THR 60 HG22 THR 60 -7.146 -1.035 -5.703 313 HG23 THR 60 HG23 THR 60 -8.787 -1.683 -5.780 314 H GLY 61 H GLY 61 -5.325 1.750 -8.265 315 HA2 GLY 61 HA2 GLY 61 -5.427 4.084 -8.202 316 HA3 GLY 61 HA3 GLY 61 -7.167 4.016 -8.460 317 H GLY 62 H GLY 62 -5.490 2.355 -5.799 318 HA2 GLY 62 HA2 GLY 62 -7.139 3.380 -3.728 319 HA3 GLY 62 HA3 GLY 62 -5.605 2.555 -3.505 320 H TYR 63 H TYR 63 -6.037 4.232 -1.637 321 HA TYR 63 HA TYR 63 -6.024 6.986 -2.134 322 HB2 TYR 63 HB2 TYR 63 -5.295 5.672 0.492 323 HB3 TYR 63 HB3 TYR 63 -6.061 7.231 0.253 324 HD1 TYR 63 HD1 TYR 63 -8.461 7.343 -0.564 325 HD2 TYR 63 HD2 TYR 63 -6.566 3.618 0.523 326 HE1 TYR 63 HE1 TYR 63 -10.689 6.236 -0.457 327 HE2 TYR 63 HE2 TYR 63 -8.806 2.523 0.650 328 HH TYR 63 HH TYR 63 -11.822 4.264 -0.153 329 H SER 64 H SER 64 -4.638 8.656 -1.782 330 HA SER 64 HA SER 64 -1.720 8.138 -1.807 331 HB2 SER 64 HB2 SER 64 -2.809 9.745 -3.376 332 HB3 SER 64 HB3 SER 64 -3.259 10.752 -1.991 333 HG SER 64 HG SER 64 -0.608 10.051 -2.817 334 H ARG 65 H ARG 65 -4.154 9.392 0.430 335 HA ARG 65 HA ARG 65 -2.108 10.228 2.427 336 HB2 ARG 65 HB2 ARG 65 -5.133 10.432 2.308 337 HB3 ARG 65 HB3 ARG 65 -4.251 10.795 3.775 338 HG2 ARG 65 HG2 ARG 65 -3.464 12.149 1.175 339 HG3 ARG 65 HG3 ARG 65 -4.859 12.729 2.083 340 HD2 ARG 65 HD2 ARG 65 -2.151 12.324 3.412 341 HD3 ARG 65 HD3 ARG 65 -2.593 13.819 2.559 342 HE ARG 65 HE ARG 65 -4.704 13.282 4.344 343 HH11 ARG 65 HH11 ARG 65 -1.346 14.192 4.650 344 HH12 ARG 65 HH12 ARG 65 -1.617 15.030 6.156 345 HH21 ARG 65 HH21 ARG 65 -4.994 14.353 6.248 346 HH22 ARG 65 HH22 ARG 65 -3.641 15.112 7.028 347 H MET 66 H MET 66 -1.559 9.146 4.153 348 HA MET 66 HA MET 66 -2.296 6.390 4.507 349 HB2 MET 66 HB2 MET 66 -0.097 7.427 5.041 350 HB3 MET 66 HB3 MET 66 -0.820 8.209 6.439 351 HG2 MET 66 HG2 MET 66 -1.280 6.114 7.507 352 HG3 MET 66 HG3 MET 66 -0.992 5.198 6.030 353 HE1 MET 66 HE1 MET 66 1.669 5.912 4.793 354 HE2 MET 66 HE2 MET 66 2.793 4.884 5.702 355 HE3 MET 66 HE3 MET 66 1.197 4.259 5.239 356 H GLY 67 H GLY 67 -3.595 9.361 5.834 357 HA2 GLY 67 HA2 GLY 67 -5.152 8.226 7.999 358 HA3 GLY 67 HA3 GLY 67 -5.455 9.766 7.184 359 H GLU 68 H GLU 68 -5.886 8.970 4.593 360 HA GLU 68 HA GLU 68 -8.596 8.010 4.580 361 HB2 GLU 68 HB2 GLU 68 -6.601 8.365 2.319 362 HB3 GLU 68 HB3 GLU 68 -8.283 7.874 2.100 363 HG2 GLU 68 HG2 GLU 68 -8.994 9.964 3.324 364 HG3 GLU 68 HG3 GLU 68 -7.315 10.504 3.278 365 H CYS 69 H CYS 69 -5.524 6.320 3.697 366 HA CYS 69 HA CYS 69 -6.909 3.942 2.877 367 HB2 CYS 69 HB2 CYS 69 -4.844 2.943 2.570 368 HB3 CYS 69 HB3 CYS 69 -4.576 4.634 2.231 369 H ALA 70 H ALA 70 -5.999 5.050 6.024 370 HA ALA 70 HA ALA 70 -6.657 2.530 7.381 371 HB1 ALA 70 HB1 ALA 70 -6.146 5.380 8.363 372 HB2 ALA 70 HB2 ALA 70 -6.371 3.955 9.410 373 HB3 ALA 70 HB3 ALA 70 -4.976 4.054 8.310 374 H ARG 71 H ARG 71 -8.200 5.837 7.531 375 HA ARG 71 HA ARG 71 -10.428 4.892 8.949 376 HB2 ARG 71 HB2 ARG 71 -11.211 7.088 8.874 377 HB3 ARG 71 HB3 ARG 71 -9.459 7.227 8.766 378 HG2 ARG 71 HG2 ARG 71 -9.957 7.271 6.134 379 HG3 ARG 71 HG3 ARG 71 -11.573 7.740 6.663 380 HD2 ARG 71 HD2 ARG 71 -8.940 9.179 7.105 381 HD3 ARG 71 HD3 ARG 71 -10.341 9.759 6.224 382 HE ARG 71 HE ARG 71 -9.982 9.530 9.173 383 HH11 ARG 71 HH11 ARG 71 -12.086 10.684 6.623 384 HH12 ARG 71 HH12 ARG 71 -13.006 11.695 7.703 385 HH21 ARG 71 HH21 ARG 71 -11.178 10.860 10.498 386 HH22 ARG 71 HH22 ARG 71 -12.502 11.778 9.844 387 H ASN 72 H ASN 72 -10.075 4.921 5.470 388 HA ASN 72 HA ASN 72 -12.952 4.380 5.021 389 HB2 ASN 72 HB2 ASN 72 -10.598 4.431 3.095 390 HB3 ASN 72 HB3 ASN 72 -12.293 4.257 2.650 391 HD21 ASN 72 HD21 ASN 72 -10.172 6.446 2.164 392 HD22 ASN 72 HD22 ASN 72 -11.100 7.898 2.544 393 H CYS 73 H CYS 73 -10.431 2.459 6.103 394 HA CYS 73 HA CYS 73 -11.606 -0.038 4.972 395 HB2 CYS 73 HB2 CYS 73 -8.845 0.910 5.169 396 HB3 CYS 73 HB3 CYS 73 -9.049 -0.601 6.020 397 HA PRO 74 HA PRO 74 -12.786 -1.254 8.978 398 HB2 PRO 74 HB2 PRO 74 -12.496 -3.960 9.073 399 HB3 PRO 74 HB3 PRO 74 -13.606 -3.143 7.931 400 HG2 PRO 74 HG2 PRO 74 -10.781 -4.107 7.404 401 HG3 PRO 74 HG3 PRO 74 -12.253 -4.434 6.433 402 HD2 PRO 74 HD2 PRO 74 -10.505 -2.451 5.805 403 HD3 PRO 74 HD3 PRO 74 -12.265 -2.245 5.560 404 H GLY 75 H GLY 75 -9.462 -1.554 8.328 405 HA2 GLY 75 HA2 GLY 75 -8.312 -2.798 10.580 406 HA3 GLY 75 HA3 GLY 75 -7.546 -1.544 9.612 Start of MODEL 16 1 H1 GLY 19 H1 GLY 19 3.652 5.812 6.967 2 H2 GLY 19 H2 GLY 19 4.690 6.010 8.219 3 H3 GLY 19 H3 GLY 19 5.237 6.105 6.675 4 HA2 GLY 19 HA2 GLY 19 4.154 3.670 7.950 5 HA3 GLY 19 HA3 GLY 19 4.737 3.784 6.283 6 H ASP 20 H ASP 20 5.632 3.379 9.609 7 HA ASP 20 HA ASP 20 8.320 2.562 8.830 8 HB2 ASP 20 HB2 ASP 20 8.607 4.986 9.342 9 HB3 ASP 20 HB3 ASP 20 7.882 4.730 10.930 10 H LYS 21 H LYS 21 9.307 1.267 10.459 11 HA LYS 21 HA LYS 21 9.233 -0.664 11.703 12 HB2 LYS 21 HB2 LYS 21 9.353 1.445 13.269 13 HB3 LYS 21 HB3 LYS 21 7.744 0.962 13.772 14 HG2 LYS 21 HG2 LYS 21 9.265 0.098 15.359 15 HG3 LYS 21 HG3 LYS 21 8.741 -1.305 14.429 16 HD2 LYS 21 HD2 LYS 21 10.839 -1.236 13.115 17 HD3 LYS 21 HD3 LYS 21 11.361 0.215 13.973 18 HE2 LYS 21 HE2 LYS 21 10.791 -2.476 15.301 19 HE3 LYS 21 HE3 LYS 21 12.387 -1.972 14.742 20 HZ1 LYS 21 HZ1 LYS 21 12.276 -0.089 16.282 21 HZ2 LYS 21 HZ2 LYS 21 12.124 -1.495 17.089 22 HZ3 LYS 21 HZ3 LYS 21 10.811 -0.566 16.831 23 H GLU 22 H GLU 22 7.042 -0.519 9.918 24 HA GLU 22 HA GLU 22 4.518 -1.274 11.007 25 HB2 GLU 22 HB2 GLU 22 5.713 -1.642 8.235 26 HB3 GLU 22 HB3 GLU 22 4.029 -2.004 8.643 27 HG2 GLU 22 HG2 GLU 22 3.597 0.313 9.235 28 HG3 GLU 22 HG3 GLU 22 5.300 0.730 9.043 29 H GLU 23 H GLU 23 4.232 -3.046 12.250 30 HA GLU 23 HA GLU 23 5.593 -5.586 11.761 31 HB2 GLU 23 HB2 GLU 23 3.372 -4.810 13.692 32 HB3 GLU 23 HB3 GLU 23 4.191 -6.375 13.659 33 HG2 GLU 23 HG2 GLU 23 6.381 -5.198 14.036 34 HG3 GLU 23 HG3 GLU 23 5.495 -3.685 14.241 35 H CYS 24 H CYS 24 2.630 -4.272 10.525 36 HA CYS 24 HA CYS 24 1.157 -6.738 10.324 37 HB2 CYS 24 HB2 CYS 24 0.274 -4.306 10.186 38 HB3 CYS 24 HB3 CYS 24 0.739 -4.377 8.482 39 H THR 25 H THR 25 0.694 -8.048 8.536 40 HA THR 25 HA THR 25 2.572 -8.037 6.216 41 HB THR 25 HB THR 25 2.657 -10.520 6.410 42 HG1 THR 25 HG1 THR 25 2.062 -11.425 8.401 43 HG21 THR 25 HG21 THR 25 4.285 -10.640 8.205 44 HG22 THR 25 HG22 THR 25 3.694 -9.122 8.909 45 HG23 THR 25 HG23 THR 25 4.498 -9.118 7.324 46 H VAL 26 H VAL 26 1.855 -9.551 4.473 47 HA VAL 26 HA VAL 26 -0.846 -8.912 3.658 48 HB VAL 26 HB VAL 26 -0.321 -10.210 1.628 49 HG11 VAL 26 HG11 VAL 26 1.383 -8.767 0.777 50 HG12 VAL 26 HG12 VAL 26 0.422 -7.830 1.935 51 HG13 VAL 26 HG13 VAL 26 2.025 -8.436 2.397 52 HG21 VAL 26 HG21 VAL 26 1.890 -11.169 1.238 53 HG22 VAL 26 HG22 VAL 26 2.357 -10.872 2.923 54 HG23 VAL 26 HG23 VAL 26 1.063 -12.029 2.540 55 HA PRO 27 HA PRO 27 -2.982 -12.604 5.014 56 HB2 PRO 27 HB2 PRO 27 -4.888 -12.964 3.056 57 HB3 PRO 27 HB3 PRO 27 -4.962 -11.685 4.303 58 HG2 PRO 27 HG2 PRO 27 -3.996 -11.437 1.443 59 HG3 PRO 27 HG3 PRO 27 -5.071 -10.339 2.350 60 HD2 PRO 27 HD2 PRO 27 -2.404 -9.929 2.014 61 HD3 PRO 27 HD3 PRO 27 -3.259 -9.388 3.495 62 H ILE 28 H ILE 28 -3.242 -14.843 4.540 63 HA ILE 28 HA ILE 28 -1.039 -15.987 3.080 64 HB ILE 28 HB ILE 28 -3.468 -17.351 4.292 65 HG12 ILE 28 HG12 ILE 28 -0.662 -16.907 5.438 66 HG13 ILE 28 HG13 ILE 28 -2.095 -16.008 5.924 67 HG21 ILE 28 HG21 ILE 28 -2.067 -19.406 4.280 68 HG22 ILE 28 HG22 ILE 28 -2.337 -18.825 2.654 69 HG23 ILE 28 HG23 ILE 28 -0.772 -18.520 3.448 70 HD11 ILE 28 HD11 ILE 28 -3.149 -18.143 6.708 71 HD12 ILE 28 HD12 ILE 28 -1.587 -18.954 6.421 72 HD13 ILE 28 HD13 ILE 28 -1.698 -17.641 7.597 73 H GLY 29 H GLY 29 -0.920 -16.924 1.154 74 HA2 GLY 29 HA2 GLY 29 -1.480 -17.777 -0.933 75 HA3 GLY 29 HA3 GLY 29 -3.184 -17.665 -0.516 76 H TRP 30 H TRP 30 -1.985 -14.551 -0.042 77 HA TRP 30 HA TRP 30 -3.115 -13.529 -2.502 78 HB2 TRP 30 HB2 TRP 30 -2.823 -12.611 0.031 79 HB3 TRP 30 HB3 TRP 30 -1.447 -11.817 -0.699 80 HD1 TRP 30 HD1 TRP 30 -5.262 -12.165 -1.059 81 HE1 TRP 30 HE1 TRP 30 -6.258 -9.980 -1.995 82 HE3 TRP 30 HE3 TRP 30 -0.934 -9.614 -1.865 83 HZ2 TRP 30 HZ2 TRP 30 -5.292 -7.424 -2.891 84 HZ3 TRP 30 HZ3 TRP 30 -0.984 -7.266 -2.749 85 HH2 TRP 30 HH2 TRP 30 -3.172 -6.165 -3.219 86 H SER 31 H SER 31 -1.780 -11.696 -3.627 87 HA SER 31 HA SER 31 0.974 -12.655 -4.315 88 HB2 SER 31 HB2 SER 31 -0.710 -13.414 -5.978 89 HB3 SER 31 HB3 SER 31 -1.065 -11.714 -6.345 90 HG SER 31 HG SER 31 0.536 -12.646 -7.746 91 H GLU 32 H GLU 32 1.995 -11.146 -3.163 92 HA GLU 32 HA GLU 32 1.328 -8.378 -3.021 93 HB2 GLU 32 HB2 GLU 32 3.653 -8.145 -2.017 94 HB3 GLU 32 HB3 GLU 32 2.485 -9.182 -1.234 95 HG2 GLU 32 HG2 GLU 32 4.468 -10.325 -1.007 96 HG3 GLU 32 HG3 GLU 32 3.624 -11.200 -2.258 97 HA PRO 33 HA PRO 33 2.967 -6.666 -6.726 98 HB2 PRO 33 HB2 PRO 33 3.477 -4.049 -6.004 99 HB3 PRO 33 HB3 PRO 33 1.825 -4.736 -6.164 100 HG2 PRO 33 HG2 PRO 33 3.528 -4.448 -3.699 101 HG3 PRO 33 HG3 PRO 33 1.821 -3.924 -3.907 102 HD2 PRO 33 HD2 PRO 33 2.440 -6.264 -2.698 103 HD3 PRO 33 HD3 PRO 33 1.052 -6.166 -3.822 104 H VAL 34 H VAL 34 4.826 -5.373 -7.639 105 HA VAL 34 HA VAL 34 7.388 -6.475 -6.572 106 HB VAL 34 HB VAL 34 6.657 -5.888 -9.462 107 HG11 VAL 34 HG11 VAL 34 9.077 -7.272 -8.203 108 HG12 VAL 34 HG12 VAL 34 8.740 -7.150 -9.943 109 HG13 VAL 34 HG13 VAL 34 9.091 -5.690 -9.016 110 HG21 VAL 34 HG21 VAL 34 6.693 -8.361 -9.713 111 HG22 VAL 34 HG22 VAL 34 6.870 -8.533 -7.953 112 HG23 VAL 34 HG23 VAL 34 5.391 -7.833 -8.647 113 H LYS 35 H LYS 35 8.048 -4.897 -5.369 114 HA LYS 35 HA LYS 35 8.430 -2.117 -6.426 115 HB2 LYS 35 HB2 LYS 35 8.167 -1.347 -4.169 116 HB3 LYS 35 HB3 LYS 35 6.829 -2.380 -4.599 117 HG2 LYS 35 HG2 LYS 35 7.196 -3.185 -2.506 118 HG3 LYS 35 HG3 LYS 35 8.238 -4.281 -3.386 119 HD2 LYS 35 HD2 LYS 35 9.396 -3.528 -1.398 120 HD3 LYS 35 HD3 LYS 35 10.198 -2.786 -2.780 121 HE2 LYS 35 HE2 LYS 35 8.651 -0.751 -2.362 122 HE3 LYS 35 HE3 LYS 35 8.226 -1.498 -0.827 123 HZ1 LYS 35 HZ1 LYS 35 10.134 0.191 -0.935 124 HZ2 LYS 35 HZ2 LYS 35 11.046 -0.973 -1.578 125 HZ3 LYS 35 HZ3 LYS 35 10.438 -1.187 -0.069 126 H GLY 36 H GLY 36 10.242 -0.889 -5.206 127 HA2 GLY 36 HA2 GLY 36 12.389 -1.751 -3.922 128 HA3 GLY 36 HA3 GLY 36 12.782 -2.426 -5.499 129 H LEU 37 H LEU 37 11.408 0.176 -6.645 130 HA LEU 37 HA LEU 37 13.911 1.740 -6.803 131 HB2 LEU 37 HB2 LEU 37 11.278 1.844 -8.312 132 HB3 LEU 37 HB3 LEU 37 12.479 3.127 -8.410 133 HG LEU 37 HG LEU 37 14.203 1.459 -9.143 134 HD11 LEU 37 HD11 LEU 37 11.774 -0.359 -9.481 135 HD12 LEU 37 HD12 LEU 37 13.218 -0.680 -8.488 136 HD13 LEU 37 HD13 LEU 37 13.359 -0.624 -10.241 137 HD21 LEU 37 HD21 LEU 37 13.389 1.412 -11.460 138 HD22 LEU 37 HD22 LEU 37 13.044 2.970 -10.700 139 HD23 LEU 37 HD23 LEU 37 11.739 1.778 -10.904 140 H CYS 38 H CYS 38 13.504 1.916 -4.385 141 HA CYS 38 HA CYS 38 11.730 3.919 -3.338 142 HB2 CYS 38 HB2 CYS 38 12.817 1.912 -2.185 143 HB3 CYS 38 HB3 CYS 38 14.299 2.881 -2.078 144 HG CYS 38 HG CYS 38 13.026 4.951 -0.904 145 H LYS 39 H LYS 39 14.172 4.529 -5.384 146 HA LYS 39 HA LYS 39 15.614 6.765 -4.244 147 HB2 LYS 39 HB2 LYS 39 15.065 5.964 -7.135 148 HB3 LYS 39 HB3 LYS 39 16.193 7.226 -6.667 149 HG2 LYS 39 HG2 LYS 39 16.443 4.314 -5.782 150 HG3 LYS 39 HG3 LYS 39 17.216 4.968 -7.210 151 HD2 LYS 39 HD2 LYS 39 17.702 6.025 -4.388 152 HD3 LYS 39 HD3 LYS 39 18.686 4.791 -5.149 153 HE2 LYS 39 HE2 LYS 39 18.289 7.584 -6.314 154 HE3 LYS 39 HE3 LYS 39 19.611 7.145 -5.233 155 HZ1 LYS 39 HZ1 LYS 39 20.339 5.493 -6.861 156 HZ2 LYS 39 HZ2 LYS 39 20.303 6.974 -7.540 157 HZ3 LYS 39 HZ3 LYS 39 19.130 5.896 -7.886 158 H ALA 40 H ALA 40 12.426 6.589 -5.579 159 HA ALA 40 HA ALA 40 12.051 9.425 -6.100 160 HB1 ALA 40 HB1 ALA 40 10.630 7.669 -7.106 161 HB2 ALA 40 HB2 ALA 40 10.044 7.203 -5.493 162 HB3 ALA 40 HB3 ALA 40 9.654 8.801 -6.159 163 H ARG 41 H ARG 41 10.429 10.700 -4.867 164 HA ARG 41 HA ARG 41 10.656 10.420 -1.887 165 HB2 ARG 41 HB2 ARG 41 10.644 12.826 -1.723 166 HB3 ARG 41 HB3 ARG 41 11.992 12.252 -2.694 167 HG2 ARG 41 HG2 ARG 41 10.839 12.926 -4.767 168 HG3 ARG 41 HG3 ARG 41 9.417 13.441 -3.832 169 HD2 ARG 41 HD2 ARG 41 10.747 15.128 -2.665 170 HD3 ARG 41 HD3 ARG 41 12.226 14.568 -3.475 171 HE ARG 41 HE ARG 41 10.388 15.252 -5.509 172 HH11 ARG 41 HH11 ARG 41 12.132 16.970 -3.016 173 HH12 ARG 41 HH12 ARG 41 12.200 18.445 -3.944 174 HH21 ARG 41 HH21 ARG 41 10.512 17.145 -6.653 175 HH22 ARG 41 HH22 ARG 41 11.302 18.529 -5.955 176 H PHE 42 H PHE 42 8.564 9.430 -3.796 177 HA PHE 42 HA PHE 42 6.177 10.304 -2.318 178 HB2 PHE 42 HB2 PHE 42 4.894 10.404 -4.454 179 HB3 PHE 42 HB3 PHE 42 6.026 11.715 -4.206 180 HD1 PHE 42 HD2 PHE 42 8.039 11.976 -5.609 181 HD2 PHE 42 HD1 PHE 42 5.239 8.768 -6.293 182 HE1 PHE 42 HE2 PHE 42 9.034 11.583 -7.849 183 HE2 PHE 42 HE1 PHE 42 6.240 8.376 -8.528 184 HZ PHE 42 HZ PHE 42 8.139 9.779 -9.307 185 H THR 43 H THR 43 5.242 8.617 -1.566 186 HA THR 43 HA THR 43 5.177 5.991 -2.975 187 HB THR 43 HB THR 43 5.593 6.134 0.031 188 HG1 THR 43 HG1 THR 43 7.601 6.008 -1.980 189 HG21 THR 43 HG21 THR 43 4.960 3.953 -0.768 190 HG22 THR 43 HG22 THR 43 6.691 3.909 -0.426 191 HG23 THR 43 HG23 THR 43 6.132 4.033 -2.107 192 H ARG 44 H ARG 44 3.474 4.516 -1.983 193 HA ARG 44 HA ARG 44 1.198 5.994 -0.760 194 HB2 ARG 44 HB2 ARG 44 -0.366 5.245 -2.393 195 HB3 ARG 44 HB3 ARG 44 0.970 6.004 -3.249 196 HG2 ARG 44 HG2 ARG 44 1.924 3.584 -3.499 197 HG3 ARG 44 HG3 ARG 44 0.342 3.041 -2.955 198 HD2 ARG 44 HD2 ARG 44 0.423 2.978 -5.356 199 HD3 ARG 44 HD3 ARG 44 -0.727 4.232 -4.848 200 HE ARG 44 HE ARG 44 1.993 5.203 -5.387 201 HH11 ARG 44 HH11 ARG 44 -1.041 4.476 -6.932 202 HH12 ARG 44 HH12 ARG 44 -0.694 5.478 -8.323 203 HH21 ARG 44 HH21 ARG 44 2.418 6.432 -7.187 204 HH22 ARG 44 HH22 ARG 44 1.257 6.514 -8.475 205 H TYR 45 H TYR 45 -0.636 4.399 -0.375 206 HA TYR 45 HA TYR 45 0.473 2.173 1.281 207 HB2 TYR 45 HB2 TYR 45 -1.334 4.358 2.344 208 HB3 TYR 45 HB3 TYR 45 -0.592 3.056 3.253 209 HD1 TYR 45 HD2 TYR 45 2.318 3.262 2.363 210 HD2 TYR 45 HD1 TYR 45 -0.564 6.316 3.333 211 HE1 TYR 45 HE2 TYR 45 4.143 4.758 3.111 212 HE2 TYR 45 HE1 TYR 45 1.275 7.822 4.038 213 HH TYR 45 HH TYR 45 3.544 8.076 4.276 214 H TYR 46 H TYR 46 -0.667 0.386 0.759 215 HA TYR 46 HA TYR 46 -3.525 0.632 -0.130 216 HB2 TYR 46 HB2 TYR 46 -1.496 -1.588 -0.490 217 HB3 TYR 46 HB3 TYR 46 -3.185 -1.709 -0.938 218 HD1 TYR 46 HD1 TYR 46 -4.129 -0.488 -2.843 219 HD2 TYR 46 HD2 TYR 46 0.047 -0.188 -1.830 220 HE1 TYR 46 HE1 TYR 46 -3.645 0.495 -5.088 221 HE2 TYR 46 HE2 TYR 46 0.523 0.776 -4.098 222 HH TYR 46 HH TYR 46 -2.130 1.571 -6.348 223 H CYS 47 H CYS 47 -5.158 -0.294 1.018 224 HA CYS 47 HA CYS 47 -4.669 -1.360 3.699 225 HB2 CYS 47 HB2 CYS 47 -6.686 -0.062 3.304 226 HB3 CYS 47 HB3 CYS 47 -7.239 -1.255 2.113 227 H MET 48 H MET 48 -4.360 -3.376 4.259 228 HA MET 48 HA MET 48 -4.862 -5.652 2.371 229 HB2 MET 48 HB2 MET 48 -2.623 -5.302 4.401 230 HB3 MET 48 HB3 MET 48 -2.982 -6.800 3.541 231 HG2 MET 48 HG2 MET 48 -2.158 -4.151 2.289 232 HG3 MET 48 HG3 MET 48 -1.135 -5.566 2.475 233 HE1 MET 48 HE1 MET 48 -3.017 -8.186 0.277 234 HE2 MET 48 HE2 MET 48 -1.295 -7.753 0.231 235 HE3 MET 48 HE3 MET 48 -2.133 -7.876 1.783 236 H GLY 49 H GLY 49 -6.989 -5.701 3.173 237 HA2 GLY 49 HA2 GLY 49 -8.587 -6.944 4.313 238 HA3 GLY 49 HA3 GLY 49 -7.340 -7.541 5.410 239 H ASN 50 H ASN 50 -6.424 -5.642 6.805 240 HA ASN 50 HA ASN 50 -8.613 -3.949 7.907 241 HB2 ASN 50 HB2 ASN 50 -8.073 -4.645 10.212 242 HB3 ASN 50 HB3 ASN 50 -8.767 -5.930 9.237 243 HD21 ASN 50 HD21 ASN 50 -7.503 -7.827 8.818 244 HD22 ASN 50 HD22 ASN 50 -5.945 -8.038 9.607 245 H CYS 51 H CYS 51 -5.113 -4.630 8.305 246 HA CYS 51 HA CYS 51 -4.498 -1.846 8.983 247 HB2 CYS 51 HB2 CYS 51 -2.253 -2.623 9.167 248 HB3 CYS 51 HB3 CYS 51 -3.270 -3.901 9.818 249 H CYS 52 H CYS 52 -2.607 -0.825 7.577 250 HA CYS 52 HA CYS 52 -2.867 -1.550 4.707 251 HB2 CYS 52 HB2 CYS 52 -1.805 1.112 4.946 252 HB3 CYS 52 HB3 CYS 52 -3.142 0.536 3.977 253 H LYS 53 H LYS 53 -0.966 -1.201 3.440 254 HA LYS 53 HA LYS 53 1.623 -1.206 4.942 255 HB2 LYS 53 HB2 LYS 53 0.506 -3.530 3.793 256 HB3 LYS 53 HB3 LYS 53 1.589 -2.928 2.549 257 HG2 LYS 53 HG2 LYS 53 3.315 -2.733 4.598 258 HG3 LYS 53 HG3 LYS 53 2.199 -3.901 5.336 259 HD2 LYS 53 HD2 LYS 53 2.454 -5.120 2.984 260 HD3 LYS 53 HD3 LYS 53 3.912 -4.141 2.842 261 HE2 LYS 53 HE2 LYS 53 3.240 -6.374 4.763 262 HE3 LYS 53 HE3 LYS 53 4.572 -6.256 3.607 263 HZ1 LYS 53 HZ1 LYS 53 5.494 -4.458 5.070 264 HZ2 LYS 53 HZ2 LYS 53 5.402 -5.900 5.832 265 HZ3 LYS 53 HZ3 LYS 53 4.301 -4.759 6.166 266 H VAL 54 H VAL 54 3.434 -0.555 3.766 267 HA VAL 54 HA VAL 54 2.903 1.388 1.627 268 HB VAL 54 HB VAL 54 4.406 1.924 3.504 269 HG11 VAL 54 HG11 VAL 54 6.473 0.088 2.224 270 HG12 VAL 54 HG12 VAL 54 6.672 1.123 3.646 271 HG13 VAL 54 HG13 VAL 54 5.598 -0.280 3.732 272 HG21 VAL 54 HG21 VAL 54 4.543 3.113 1.344 273 HG22 VAL 54 HG22 VAL 54 6.095 3.064 2.195 274 HG23 VAL 54 HG23 VAL 54 5.814 1.988 0.812 275 H TYR 55 H TYR 55 3.225 1.233 -0.459 276 HA TYR 55 HA TYR 55 5.102 -0.698 -1.610 277 HB2 TYR 55 HB2 TYR 55 2.140 -0.762 -2.290 278 HB3 TYR 55 HB3 TYR 55 3.378 -1.509 -3.273 279 HD1 TYR 55 HD1 TYR 55 5.004 -3.174 -2.070 280 HD2 TYR 55 HD2 TYR 55 1.067 -2.151 -0.651 281 HE1 TYR 55 HE1 TYR 55 4.912 -5.317 -0.755 282 HE2 TYR 55 HE2 TYR 55 0.954 -4.323 0.581 283 HH TYR 55 HH TYR 55 1.975 -6.342 0.946 284 H GLU 56 H GLU 56 5.128 -0.389 -4.098 285 HA GLU 56 HA GLU 56 5.224 2.562 -4.641 286 HB2 GLU 56 HB2 GLU 56 7.243 0.398 -5.297 287 HB3 GLU 56 HB3 GLU 56 7.377 2.086 -5.788 288 HG2 GLU 56 HG2 GLU 56 7.651 2.844 -3.523 289 HG3 GLU 56 HG3 GLU 56 7.259 1.258 -2.855 290 H GLY 57 H GLY 57 5.373 3.152 -6.904 291 HA2 GLY 57 HA2 GLY 57 4.745 3.121 -9.121 292 HA3 GLY 57 HA3 GLY 57 4.686 1.359 -9.066 293 H CYS 58 H CYS 58 2.868 2.325 -10.616 294 HA CYS 58 HA CYS 58 0.311 2.865 -9.246 295 HB2 CYS 58 HB2 CYS 58 0.962 3.966 -11.407 296 HB3 CYS 58 HB3 CYS 58 0.850 2.388 -12.203 297 HG CYS 58 HG CYS 58 -1.460 4.143 -10.564 298 H TYR 59 H TYR 59 0.287 0.886 -7.955 299 HA TYR 59 HA TYR 59 -0.344 -1.606 -9.410 300 HB2 TYR 59 HB2 TYR 59 1.018 -1.757 -7.400 301 HB3 TYR 59 HB3 TYR 59 -0.244 -1.011 -6.448 302 HD1 TYR 59 HD1 TYR 59 -0.717 -3.690 -9.092 303 HD2 TYR 59 HD2 TYR 59 -0.726 -2.701 -4.879 304 HE1 TYR 59 HE1 TYR 59 -1.672 -5.902 -8.574 305 HE2 TYR 59 HE2 TYR 59 -1.654 -4.943 -4.370 306 HH TYR 59 HH TYR 59 -2.359 -6.976 -5.234 307 H THR 60 H THR 60 -2.066 -0.623 -10.589 308 HA THR 60 HA THR 60 -4.273 -0.330 -11.112 309 HB THR 60 HB THR 60 -4.941 -2.013 -8.678 310 HG1 THR 60 HG1 THR 60 -4.051 -2.859 -11.241 311 HG21 THR 60 HG21 THR 60 -6.129 -1.820 -11.491 312 HG22 THR 60 HG22 THR 60 -6.927 -1.320 -9.987 313 HG23 THR 60 HG23 THR 60 -6.595 -3.027 -10.267 314 H GLY 61 H GLY 61 -3.093 1.709 -9.552 315 HA2 GLY 61 HA2 GLY 61 -3.727 3.819 -8.823 316 HA3 GLY 61 HA3 GLY 61 -5.416 3.339 -8.956 317 H GLY 62 H GLY 62 -6.374 2.201 -7.168 318 HA2 GLY 62 HA2 GLY 62 -7.000 2.040 -4.957 319 HA3 GLY 62 HA3 GLY 62 -5.308 1.757 -4.579 320 H TYR 63 H TYR 63 -4.741 3.044 -2.925 321 HA TYR 63 HA TYR 63 -5.992 5.726 -2.591 322 HB2 TYR 63 HB2 TYR 63 -4.427 4.087 -0.587 323 HB3 TYR 63 HB3 TYR 63 -5.410 5.496 -0.255 324 HD1 TYR 63 HD1 TYR 63 -7.998 5.168 -1.270 325 HD2 TYR 63 HD2 TYR 63 -5.330 2.075 0.111 326 HE1 TYR 63 HE1 TYR 63 -9.938 3.647 -0.913 327 HE2 TYR 63 HE2 TYR 63 -7.288 0.555 0.470 328 HH TYR 63 HH TYR 63 -9.544 0.288 0.253 329 H SER 64 H SER 64 -4.679 7.443 -1.740 330 HA SER 64 HA SER 64 -1.781 7.392 -2.541 331 HB2 SER 64 HB2 SER 64 -3.741 9.688 -2.862 332 HB3 SER 64 HB3 SER 64 -2.040 9.674 -3.354 333 HG SER 64 HG SER 64 -2.555 7.968 -4.817 334 H ARG 65 H ARG 65 -3.629 7.610 0.177 335 HA ARG 65 HA ARG 65 -1.567 9.108 1.670 336 HB2 ARG 65 HB2 ARG 65 -4.521 9.877 1.739 337 HB3 ARG 65 HB3 ARG 65 -3.327 10.378 2.936 338 HG2 ARG 65 HG2 ARG 65 -1.984 11.397 0.986 339 HG3 ARG 65 HG3 ARG 65 -3.466 11.180 0.020 340 HD2 ARG 65 HD2 ARG 65 -4.715 12.430 1.816 341 HD3 ARG 65 HD3 ARG 65 -3.163 12.723 2.630 342 HE ARG 65 HE ARG 65 -2.948 13.615 -0.074 343 HH11 ARG 65 HH11 ARG 65 -4.616 14.623 2.827 344 HH12 ARG 65 HH12 ARG 65 -4.705 16.287 2.312 345 HH21 ARG 65 HH21 ARG 65 -3.095 15.738 -0.683 346 HH22 ARG 65 HH22 ARG 65 -3.858 16.892 0.369 347 H MET 66 H MET 66 -1.722 8.898 3.904 348 HA MET 66 HA MET 66 -2.174 6.253 4.898 349 HB2 MET 66 HB2 MET 66 -0.746 8.521 5.620 350 HB3 MET 66 HB3 MET 66 -1.997 8.496 6.839 351 HG2 MET 66 HG2 MET 66 0.273 6.618 6.317 352 HG3 MET 66 HG3 MET 66 -0.179 7.430 7.799 353 HE1 MET 66 HE1 MET 66 -1.025 3.246 6.452 354 HE2 MET 66 HE2 MET 66 -0.856 4.619 5.323 355 HE3 MET 66 HE3 MET 66 0.458 4.236 6.443 356 H GLY 67 H GLY 67 -4.017 9.287 5.326 357 HA2 GLY 67 HA2 GLY 67 -6.103 8.177 6.965 358 HA3 GLY 67 HA3 GLY 67 -6.188 9.677 6.045 359 H GLU 68 H GLU 68 -5.644 8.115 3.470 360 HA GLU 68 HA GLU 68 -8.418 7.407 2.815 361 HB2 GLU 68 HB2 GLU 68 -5.822 7.364 1.251 362 HB3 GLU 68 HB3 GLU 68 -7.322 6.744 0.588 363 HG2 GLU 68 HG2 GLU 68 -6.928 9.586 1.604 364 HG3 GLU 68 HG3 GLU 68 -6.779 9.087 -0.078 365 H CYS 69 H CYS 69 -5.340 5.554 3.130 366 HA CYS 69 HA CYS 69 -6.491 2.972 2.598 367 HB2 CYS 69 HB2 CYS 69 -4.485 2.112 3.112 368 HB3 CYS 69 HB3 CYS 69 -4.061 3.741 2.632 369 H ALA 70 H ALA 70 -6.356 4.897 5.537 370 HA ALA 70 HA ALA 70 -7.342 2.816 7.307 371 HB1 ALA 70 HB1 ALA 70 -7.301 4.668 8.960 372 HB2 ALA 70 HB2 ALA 70 -5.783 4.586 8.041 373 HB3 ALA 70 HB3 ALA 70 -6.985 5.837 7.656 374 H ARG 71 H ARG 71 -8.882 5.897 6.067 375 HA ARG 71 HA ARG 71 -11.324 5.491 7.432 376 HB2 ARG 71 HB2 ARG 71 -12.269 7.220 6.118 377 HB3 ARG 71 HB3 ARG 71 -10.576 7.619 6.374 378 HG2 ARG 71 HG2 ARG 71 -10.119 6.665 4.036 379 HG3 ARG 71 HG3 ARG 71 -11.861 6.488 3.837 380 HD2 ARG 71 HD2 ARG 71 -11.145 8.510 2.751 381 HD3 ARG 71 HD3 ARG 71 -12.169 8.913 4.140 382 HE ARG 71 HE ARG 71 -9.442 8.913 4.977 383 HH11 ARG 71 HH11 ARG 71 -11.393 10.831 2.815 384 HH12 ARG 71 HH12 ARG 71 -10.573 12.316 3.202 385 HH21 ARG 71 HH21 ARG 71 -8.463 10.862 5.504 386 HH22 ARG 71 HH22 ARG 71 -8.927 12.310 4.665 387 H ASN 72 H ASN 72 -10.342 4.031 4.458 388 HA ASN 72 HA ASN 72 -13.011 2.961 3.796 389 HB2 ASN 72 HB2 ASN 72 -10.238 2.641 2.565 390 HB3 ASN 72 HB3 ASN 72 -11.680 1.825 1.964 391 HD21 ASN 72 HD21 ASN 72 -9.942 4.825 1.945 392 HD22 ASN 72 HD22 ASN 72 -11.121 5.696 0.973 393 H CYS 73 H CYS 73 -10.680 2.008 6.069 394 HA CYS 73 HA CYS 73 -11.525 -0.853 5.944 395 HB2 CYS 73 HB2 CYS 73 -8.822 0.426 5.909 396 HB3 CYS 73 HB3 CYS 73 -8.986 -1.042 6.833 397 HA PRO 74 HA PRO 74 -12.452 -0.700 10.184 398 HB2 PRO 74 HB2 PRO 74 -12.051 -3.238 11.080 399 HB3 PRO 74 HB3 PRO 74 -13.256 -2.838 9.818 400 HG2 PRO 74 HG2 PRO 74 -10.418 -3.840 9.426 401 HG3 PRO 74 HG3 PRO 74 -11.924 -4.510 8.717 402 HD2 PRO 74 HD2 PRO 74 -10.376 -2.770 7.323 403 HD3 PRO 74 HD3 PRO 74 -12.157 -2.678 7.242 404 H GLY 75 H GLY 75 -9.137 -1.112 9.464 405 HA2 GLY 75 HA2 GLY 75 -8.295 -0.543 12.288 406 HA3 GLY 75 HA3 GLY 75 -7.512 -1.824 11.366 Start of MODEL 17 1 H1 GLY 19 H1 GLY 19 12.076 3.467 17.151 2 H2 GLY 19 H2 GLY 19 11.647 4.899 16.480 3 H3 GLY 19 H3 GLY 19 10.772 4.271 17.725 4 HA2 GLY 19 HA2 GLY 19 9.631 3.987 15.582 5 HA3 GLY 19 HA3 GLY 19 11.024 3.019 15.065 6 H ASP 20 H ASP 20 8.167 3.138 17.043 7 HA ASP 20 HA ASP 20 8.640 0.389 18.149 8 HB2 ASP 20 HB2 ASP 20 7.497 2.883 19.460 9 HB3 ASP 20 HB3 ASP 20 7.614 1.299 20.218 10 H LYS 21 H LYS 21 6.623 1.839 16.034 11 HA LYS 21 HA LYS 21 3.978 0.981 16.971 12 HB2 LYS 21 HB2 LYS 21 5.048 2.005 14.297 13 HB3 LYS 21 HB3 LYS 21 3.402 1.434 14.497 14 HG2 LYS 21 HG2 LYS 21 3.275 3.751 14.665 15 HG3 LYS 21 HG3 LYS 21 3.018 3.130 16.294 16 HD2 LYS 21 HD2 LYS 21 5.278 3.813 16.954 17 HD3 LYS 21 HD3 LYS 21 5.669 4.255 15.271 18 HE2 LYS 21 HE2 LYS 21 3.857 5.962 15.325 19 HE3 LYS 21 HE3 LYS 21 3.497 5.528 16.999 20 HZ1 LYS 21 HZ1 LYS 21 6.082 6.652 16.049 21 HZ2 LYS 21 HZ2 LYS 21 5.747 6.255 17.601 22 HZ3 LYS 21 HZ3 LYS 21 4.944 7.473 16.876 23 H GLU 22 H GLU 22 2.644 -0.541 15.880 24 HA GLU 22 HA GLU 22 3.888 -3.125 15.234 25 HB2 GLU 22 HB2 GLU 22 0.999 -2.152 15.123 26 HB3 GLU 22 HB3 GLU 22 1.519 -3.811 14.809 27 HG2 GLU 22 HG2 GLU 22 2.466 -3.956 17.103 28 HG3 GLU 22 HG3 GLU 22 1.890 -2.323 17.443 29 H GLU 23 H GLU 23 3.390 -4.301 13.228 30 HA GLU 23 HA GLU 23 2.879 -2.688 10.781 31 HB2 GLU 23 HB2 GLU 23 5.271 -4.532 11.187 32 HB3 GLU 23 HB3 GLU 23 4.766 -3.839 9.646 33 HG2 GLU 23 HG2 GLU 23 5.166 -1.555 10.522 34 HG3 GLU 23 HG3 GLU 23 5.702 -2.232 12.061 35 H CYS 24 H CYS 24 1.749 -3.789 9.240 36 HA CYS 24 HA CYS 24 0.790 -6.536 9.762 37 HB2 CYS 24 HB2 CYS 24 0.266 -4.639 7.440 38 HB3 CYS 24 HB3 CYS 24 -0.517 -6.185 7.701 39 H THR 25 H THR 25 0.788 -8.073 7.850 40 HA THR 25 HA THR 25 3.024 -7.806 5.929 41 HB THR 25 HB THR 25 3.545 -10.238 6.124 42 HG1 THR 25 HG1 THR 25 2.214 -10.039 8.619 43 HG21 THR 25 HG21 THR 25 5.000 -10.098 8.060 44 HG22 THR 25 HG22 THR 25 4.111 -8.693 8.687 45 HG23 THR 25 HG23 THR 25 5.032 -8.564 7.171 46 H VAL 26 H VAL 26 2.784 -9.214 4.063 47 HA VAL 26 HA VAL 26 0.001 -9.372 3.150 48 HB VAL 26 HB VAL 26 1.466 -8.458 1.577 49 HG11 VAL 26 HG11 VAL 26 3.676 -9.350 2.341 50 HG12 VAL 26 HG12 VAL 26 3.239 -10.932 1.665 51 HG13 VAL 26 HG13 VAL 26 3.428 -9.531 0.602 52 HG21 VAL 26 HG21 VAL 26 1.014 -11.246 0.574 53 HG22 VAL 26 HG22 VAL 26 -0.226 -9.966 0.678 54 HG23 VAL 26 HG23 VAL 26 1.190 -9.751 -0.357 55 HA PRO 27 HA PRO 27 -0.141 -13.840 4.035 56 HB2 PRO 27 HB2 PRO 27 -2.559 -14.444 2.922 57 HB3 PRO 27 HB3 PRO 27 -2.400 -13.574 4.479 58 HG2 PRO 27 HG2 PRO 27 -2.865 -12.388 1.724 59 HG3 PRO 27 HG3 PRO 27 -3.739 -12.029 3.248 60 HD2 PRO 27 HD2 PRO 27 -1.706 -10.464 2.327 61 HD3 PRO 27 HD3 PRO 27 -1.949 -10.739 4.077 62 H ILE 28 H ILE 28 0.512 -15.601 2.849 63 HA ILE 28 HA ILE 28 1.713 -15.205 0.333 64 HB ILE 28 HB ILE 28 1.965 -17.681 0.223 65 HG12 ILE 28 HG12 ILE 28 0.595 -17.727 2.955 66 HG13 ILE 28 HG13 ILE 28 -0.151 -18.292 1.460 67 HG21 ILE 28 HG21 ILE 28 2.762 -16.402 2.876 68 HG22 ILE 28 HG22 ILE 28 3.590 -17.730 2.037 69 HG23 ILE 28 HG23 ILE 28 3.571 -16.122 1.319 70 HD11 ILE 28 HD11 ILE 28 1.677 -19.971 1.189 71 HD12 ILE 28 HD12 ILE 28 2.319 -19.480 2.777 72 HD13 ILE 28 HD13 ILE 28 0.705 -20.194 2.657 73 H GLY 29 H GLY 29 1.229 -15.480 -1.715 74 HA2 GLY 29 HA2 GLY 29 0.017 -16.336 -3.584 75 HA3 GLY 29 HA3 GLY 29 -1.402 -16.586 -2.581 76 H TRP 30 H TRP 30 -0.512 -13.481 -1.685 77 HA TRP 30 HA TRP 30 -2.251 -12.140 -3.629 78 HB2 TRP 30 HB2 TRP 30 -2.335 -11.638 -1.204 79 HB3 TRP 30 HB3 TRP 30 -0.628 -11.229 -1.222 80 HD1 TRP 30 HD1 TRP 30 0.110 -9.134 -2.551 81 HE1 TRP 30 HE1 TRP 30 -1.023 -6.836 -2.928 82 HE3 TRP 30 HE3 TRP 30 -4.684 -10.462 -1.438 83 HZ2 TRP 30 HZ2 TRP 30 -3.689 -5.721 -2.614 84 HZ3 TRP 30 HZ3 TRP 30 -6.503 -8.763 -1.425 85 HH2 TRP 30 HH2 TRP 30 -6.017 -6.397 -2.002 86 H SER 31 H SER 31 -1.437 -10.398 -4.955 87 HA SER 31 HA SER 31 1.172 -10.952 -6.171 88 HB2 SER 31 HB2 SER 31 -0.950 -10.433 -7.416 89 HB3 SER 31 HB3 SER 31 -0.770 -8.748 -6.902 90 HG SER 31 HG SER 31 0.996 -10.329 -8.510 91 H GLU 32 H GLU 32 2.276 -10.461 -4.189 92 HA GLU 32 HA GLU 32 2.571 -7.832 -3.092 93 HB2 GLU 32 HB2 GLU 32 4.394 -8.755 -1.802 94 HB3 GLU 32 HB3 GLU 32 3.079 -9.918 -1.889 95 HG2 GLU 32 HG2 GLU 32 4.326 -11.136 -3.703 96 HG3 GLU 32 HG3 GLU 32 5.664 -10.003 -3.505 97 HA PRO 33 HA PRO 33 5.594 -5.933 -5.802 98 HB2 PRO 33 HB2 PRO 33 6.771 -4.067 -4.212 99 HB3 PRO 33 HB3 PRO 33 5.048 -3.960 -4.684 100 HG2 PRO 33 HG2 PRO 33 6.202 -5.061 -2.100 101 HG3 PRO 33 HG3 PRO 33 4.867 -3.882 -2.303 102 HD2 PRO 33 HD2 PRO 33 4.414 -6.551 -1.930 103 HD3 PRO 33 HD3 PRO 33 3.369 -5.548 -2.969 104 H VAL 34 H VAL 34 7.778 -6.017 -6.348 105 HA VAL 34 HA VAL 34 9.731 -7.310 -4.491 106 HB VAL 34 HB VAL 34 9.365 -8.257 -7.356 107 HG11 VAL 34 HG11 VAL 34 11.667 -8.519 -6.431 108 HG12 VAL 34 HG12 VAL 34 10.998 -9.349 -5.010 109 HG13 VAL 34 HG13 VAL 34 10.872 -10.081 -6.623 110 HG21 VAL 34 HG21 VAL 34 7.426 -9.044 -6.092 111 HG22 VAL 34 HG22 VAL 34 8.539 -10.381 -6.364 112 HG23 VAL 34 HG23 VAL 34 8.476 -9.600 -4.769 113 H LYS 35 H LYS 35 10.337 -5.114 -4.310 114 HA LYS 35 HA LYS 35 12.391 -4.273 -6.320 115 HB2 LYS 35 HB2 LYS 35 11.561 -2.041 -6.480 116 HB3 LYS 35 HB3 LYS 35 10.274 -3.169 -6.906 117 HG2 LYS 35 HG2 LYS 35 8.996 -1.826 -5.597 118 HG3 LYS 35 HG3 LYS 35 9.634 -2.811 -4.303 119 HD2 LYS 35 HD2 LYS 35 10.157 -0.812 -3.377 120 HD3 LYS 35 HD3 LYS 35 11.594 -0.886 -4.387 121 HE2 LYS 35 HE2 LYS 35 8.974 0.539 -5.010 122 HE3 LYS 35 HE3 LYS 35 10.469 1.315 -4.501 123 HZ1 LYS 35 HZ1 LYS 35 11.481 0.595 -6.621 124 HZ2 LYS 35 HZ2 LYS 35 10.089 1.448 -6.894 125 HZ3 LYS 35 HZ3 LYS 35 10.057 -0.142 -7.051 126 H GLY 36 H GLY 36 11.249 -4.040 -3.044 127 HA2 GLY 36 HA2 GLY 36 13.415 -3.591 -1.477 128 HA3 GLY 36 HA3 GLY 36 13.256 -2.040 -2.323 129 H LEU 37 H LEU 37 13.041 -1.366 -0.020 130 HA LEU 37 HA LEU 37 10.213 -1.085 0.777 131 HB2 LEU 37 HB2 LEU 37 12.540 -1.828 2.597 132 HB3 LEU 37 HB3 LEU 37 10.994 -1.219 3.178 133 HG LEU 37 HG LEU 37 11.328 -3.809 1.595 134 HD11 LEU 37 HD11 LEU 37 10.960 -4.930 3.749 135 HD12 LEU 37 HD12 LEU 37 10.929 -3.358 4.581 136 HD13 LEU 37 HD13 LEU 37 12.419 -3.930 3.798 137 HD21 LEU 37 HD21 LEU 37 9.051 -2.883 1.380 138 HD22 LEU 37 HD22 LEU 37 8.953 -2.666 3.144 139 HD23 LEU 37 HD23 LEU 37 9.037 -4.295 2.436 140 H CYS 38 H CYS 38 9.861 0.927 0.519 141 HA CYS 38 HA CYS 38 9.931 3.218 0.502 142 HB2 CYS 38 HB2 CYS 38 11.849 2.819 2.813 143 HB3 CYS 38 HB3 CYS 38 10.971 4.306 2.428 144 HG CYS 38 HG CYS 38 9.842 3.121 4.497 145 H LYS 39 H LYS 39 11.812 1.869 -1.224 146 HA LYS 39 HA LYS 39 14.280 3.224 -1.654 147 HB2 LYS 39 HB2 LYS 39 12.319 2.039 -3.661 148 HB3 LYS 39 HB3 LYS 39 13.918 2.614 -4.104 149 HG2 LYS 39 HG2 LYS 39 13.444 0.387 -2.073 150 HG3 LYS 39 HG3 LYS 39 13.693 0.136 -3.805 151 HD2 LYS 39 HD2 LYS 39 15.917 1.323 -3.617 152 HD3 LYS 39 HD3 LYS 39 15.672 1.399 -1.872 153 HE2 LYS 39 HE2 LYS 39 17.103 -0.446 -2.288 154 HE3 LYS 39 HE3 LYS 39 15.545 -1.108 -1.803 155 HZ1 LYS 39 HZ1 LYS 39 16.462 -0.874 -4.630 156 HZ2 LYS 39 HZ2 LYS 39 15.098 -1.646 -4.140 157 HZ3 LYS 39 HZ3 LYS 39 16.559 -2.238 -3.749 158 H ALA 40 H ALA 40 11.120 4.072 -3.060 159 HA ALA 40 HA ALA 40 12.115 6.773 -3.835 160 HB1 ALA 40 HB1 ALA 40 9.475 5.376 -4.468 161 HB2 ALA 40 HB2 ALA 40 10.035 6.924 -5.139 162 HB3 ALA 40 HB3 ALA 40 10.898 5.430 -5.534 163 H ARG 41 H ARG 41 10.583 8.558 -3.473 164 HA ARG 41 HA ARG 41 9.468 8.580 -0.694 165 HB2 ARG 41 HB2 ARG 41 10.060 10.920 -0.580 166 HB3 ARG 41 HB3 ARG 41 11.429 9.909 -0.971 167 HG2 ARG 41 HG2 ARG 41 11.810 11.696 -2.347 168 HG3 ARG 41 HG3 ARG 41 11.034 10.587 -3.456 169 HD2 ARG 41 HD2 ARG 41 10.119 12.762 -3.862 170 HD3 ARG 41 HD3 ARG 41 8.857 11.843 -3.067 171 HE ARG 41 HE ARG 41 9.008 13.209 -1.178 172 HH11 ARG 41 HH11 ARG 41 11.668 14.068 -3.289 173 HH12 ARG 41 HH12 ARG 41 12.058 15.494 -2.367 174 HH21 ARG 41 HH21 ARG 41 9.560 15.029 -0.046 175 HH22 ARG 41 HH22 ARG 41 10.888 16.014 -0.580 176 H PHE 42 H PHE 42 8.169 8.167 -3.543 177 HA PHE 42 HA PHE 42 5.610 9.508 -2.895 178 HB2 PHE 42 HB2 PHE 42 5.372 10.415 -5.133 179 HB3 PHE 42 HB3 PHE 42 6.747 11.115 -4.307 180 HD1 PHE 42 HD1 PHE 42 9.127 10.242 -4.912 181 HD2 PHE 42 HD2 PHE 42 5.628 9.416 -7.288 182 HE1 PHE 42 HE1 PHE 42 10.577 9.616 -6.819 183 HE2 PHE 42 HE2 PHE 42 7.083 8.796 -9.202 184 HZ PHE 42 HZ PHE 42 9.561 8.865 -8.955 185 H THR 43 H THR 43 4.394 7.690 -2.583 186 HA THR 43 HA THR 43 3.961 5.852 -4.849 187 HB THR 43 HB THR 43 4.766 4.788 -2.103 188 HG1 THR 43 HG1 THR 43 6.243 5.287 -4.423 189 HG21 THR 43 HG21 THR 43 4.117 3.501 -4.776 190 HG22 THR 43 HG22 THR 43 3.453 3.139 -3.154 191 HG23 THR 43 HG23 THR 43 5.107 2.673 -3.572 192 H ARG 44 H ARG 44 2.039 4.518 -4.587 193 HA ARG 44 HA ARG 44 -0.114 5.781 -3.004 194 HB2 ARG 44 HB2 ARG 44 0.049 3.795 -5.276 195 HB3 ARG 44 HB3 ARG 44 -1.282 3.608 -4.138 196 HG2 ARG 44 HG2 ARG 44 -2.158 4.931 -5.798 197 HG3 ARG 44 HG3 ARG 44 -1.838 6.016 -4.458 198 HD2 ARG 44 HD2 ARG 44 0.338 6.662 -5.630 199 HD3 ARG 44 HD3 ARG 44 -0.253 5.729 -7.034 200 HE ARG 44 HE ARG 44 -2.181 7.587 -5.894 201 HH11 ARG 44 HH11 ARG 44 0.327 7.494 -8.329 202 HH12 ARG 44 HH12 ARG 44 -0.319 8.885 -9.166 203 HH21 ARG 44 HH21 ARG 44 -2.889 9.287 -6.885 204 HH22 ARG 44 HH22 ARG 44 -2.158 9.906 -8.360 205 H TYR 45 H TYR 45 -1.604 4.499 -1.788 206 HA TYR 45 HA TYR 45 -0.303 2.370 -0.145 207 HB2 TYR 45 HB2 TYR 45 -1.827 4.707 1.011 208 HB3 TYR 45 HB3 TYR 45 -1.030 3.416 1.896 209 HD1 TYR 45 HD1 TYR 45 1.682 3.286 0.607 210 HD2 TYR 45 HD2 TYR 45 -0.769 6.661 1.657 211 HE1 TYR 45 HE1 TYR 45 3.715 4.702 0.806 212 HE2 TYR 45 HE2 TYR 45 1.267 8.094 1.807 213 HH TYR 45 HH TYR 45 3.546 8.172 1.642 214 H TYR 46 H TYR 46 -1.484 0.612 -0.433 215 HA TYR 46 HA TYR 46 -4.439 0.845 -0.899 216 HB2 TYR 46 HB2 TYR 46 -2.429 -1.160 -1.906 217 HB3 TYR 46 HB3 TYR 46 -4.137 -1.255 -2.220 218 HD1 TYR 46 HD2 TYR 46 -4.471 1.905 -2.756 219 HD2 TYR 46 HD1 TYR 46 -1.767 -1.131 -4.190 220 HE1 TYR 46 HE2 TYR 46 -4.136 3.183 -4.861 221 HE2 TYR 46 HE1 TYR 46 -1.431 0.168 -6.293 222 HH TYR 46 HH TYR 46 -1.867 2.131 -7.383 223 H CYS 47 H CYS 47 -5.756 -0.021 0.424 224 HA CYS 47 HA CYS 47 -4.941 -1.515 2.775 225 HB2 CYS 47 HB2 CYS 47 -6.797 0.107 2.793 226 HB3 CYS 47 HB3 CYS 47 -7.741 -0.997 1.778 227 H MET 48 H MET 48 -4.588 -3.550 2.960 228 HA MET 48 HA MET 48 -5.863 -5.565 1.124 229 HB2 MET 48 HB2 MET 48 -3.662 -6.588 0.819 230 HB3 MET 48 HB3 MET 48 -3.754 -4.964 0.157 231 HG2 MET 48 HG2 MET 48 -2.050 -4.243 1.389 232 HG3 MET 48 HG3 MET 48 -2.789 -4.769 2.888 233 HE1 MET 48 HE1 MET 48 -0.056 -7.386 0.265 234 HE2 MET 48 HE2 MET 48 -1.805 -7.608 0.165 235 HE3 MET 48 HE3 MET 48 -1.100 -6.036 -0.268 236 H GLY 49 H GLY 49 -5.101 -4.897 4.364 237 HA2 GLY 49 HA2 GLY 49 -6.152 -7.260 5.501 238 HA3 GLY 49 HA3 GLY 49 -4.421 -7.549 5.291 239 H ASN 50 H ASN 50 -6.720 -5.207 6.606 240 HA ASN 50 HA ASN 50 -6.763 -3.735 8.264 241 HB2 ASN 50 HB2 ASN 50 -4.920 -5.656 9.710 242 HB3 ASN 50 HB3 ASN 50 -5.959 -4.424 10.423 243 HD21 ASN 50 HD21 ASN 50 -8.111 -4.950 10.903 244 HD22 ASN 50 HD22 ASN 50 -8.804 -6.495 10.426 245 H CYS 51 H CYS 51 -3.984 -3.815 6.542 246 HA CYS 51 HA CYS 51 -3.381 -1.072 7.503 247 HB2 CYS 51 HB2 CYS 51 -1.289 -3.086 6.576 248 HB3 CYS 51 HB3 CYS 51 -1.012 -1.377 6.848 249 H CYS 52 H CYS 52 -2.597 0.308 5.783 250 HA CYS 52 HA CYS 52 -3.154 -0.619 3.022 251 HB2 CYS 52 HB2 CYS 52 -3.109 1.869 2.487 252 HB3 CYS 52 HB3 CYS 52 -4.535 1.174 3.223 253 H LYS 53 H LYS 53 -1.417 -1.680 2.513 254 HA LYS 53 HA LYS 53 1.298 -0.942 3.189 255 HB2 LYS 53 HB2 LYS 53 0.432 -3.296 2.793 256 HB3 LYS 53 HB3 LYS 53 0.243 -2.896 1.108 257 HG2 LYS 53 HG2 LYS 53 2.590 -2.777 0.743 258 HG3 LYS 53 HG3 LYS 53 2.931 -2.520 2.462 259 HD2 LYS 53 HD2 LYS 53 2.343 -4.845 2.969 260 HD3 LYS 53 HD3 LYS 53 1.988 -5.151 1.249 261 HE2 LYS 53 HE2 LYS 53 4.287 -4.641 0.617 262 HE3 LYS 53 HE3 LYS 53 4.664 -4.065 2.248 263 HZ1 LYS 53 HZ1 LYS 53 4.001 -6.875 1.574 264 HZ2 LYS 53 HZ2 LYS 53 4.380 -6.313 3.073 265 HZ3 LYS 53 HZ3 LYS 53 5.501 -6.308 1.892 266 H VAL 54 H VAL 54 2.984 -0.379 1.795 267 HA VAL 54 HA VAL 54 2.463 1.570 -0.265 268 HB VAL 54 HB VAL 54 4.386 1.601 1.300 269 HG11 VAL 54 HG11 VAL 54 5.729 -0.395 -0.562 270 HG12 VAL 54 HG12 VAL 54 6.411 0.380 0.878 271 HG13 VAL 54 HG13 VAL 54 5.111 -0.816 1.055 272 HG21 VAL 54 HG21 VAL 54 5.931 2.580 -0.257 273 HG22 VAL 54 HG22 VAL 54 5.205 1.688 -1.607 274 HG23 VAL 54 HG23 VAL 54 4.278 2.961 -0.770 275 H TYR 55 H TYR 55 1.935 1.284 -2.284 276 HA TYR 55 HA TYR 55 2.979 -1.027 -3.852 277 HB2 TYR 55 HB2 TYR 55 0.144 -0.257 -3.261 278 HB3 TYR 55 HB3 TYR 55 0.530 -0.844 -4.878 279 HD1 TYR 55 HD1 TYR 55 1.233 -3.111 -5.322 280 HD2 TYR 55 HD2 TYR 55 0.299 -1.805 -1.318 281 HE1 TYR 55 HE1 TYR 55 1.275 -5.473 -4.532 282 HE2 TYR 55 HE2 TYR 55 0.378 -4.176 -0.525 283 HH TYR 55 HH TYR 55 1.071 -6.293 -1.084 284 H GLU 56 H GLU 56 3.929 -0.364 -5.629 285 HA GLU 56 HA GLU 56 3.576 2.320 -6.764 286 HB2 GLU 56 HB2 GLU 56 5.078 -0.128 -7.784 287 HB3 GLU 56 HB3 GLU 56 5.130 1.488 -8.503 288 HG2 GLU 56 HG2 GLU 56 6.025 2.387 -6.335 289 HG3 GLU 56 HG3 GLU 56 6.115 0.737 -5.711 290 H GLY 57 H GLY 57 2.727 2.818 -8.781 291 HA2 GLY 57 HA2 GLY 57 1.433 2.710 -10.668 292 HA3 GLY 57 HA3 GLY 57 1.588 0.955 -10.634 293 H CYS 58 H CYS 58 -0.648 1.804 -11.605 294 HA CYS 58 HA CYS 58 -2.817 2.180 -9.694 295 HB2 CYS 58 HB2 CYS 58 -4.181 2.228 -11.793 296 HB3 CYS 58 HB3 CYS 58 -2.866 3.399 -11.716 297 HG CYS 58 HG CYS 58 -3.099 2.506 -14.184 298 H TYR 59 H TYR 59 -1.493 -0.256 -9.164 299 HA TYR 59 HA TYR 59 -2.623 -2.623 -10.171 300 HB2 TYR 59 HB2 TYR 59 -0.724 -2.647 -8.700 301 HB3 TYR 59 HB3 TYR 59 -1.632 -1.886 -7.401 302 HD1 TYR 59 HD1 TYR 59 -1.550 -5.005 -9.501 303 HD2 TYR 59 HD2 TYR 59 -2.728 -3.186 -5.766 304 HE1 TYR 59 HE1 TYR 59 -2.286 -7.224 -8.649 305 HE2 TYR 59 HE2 TYR 59 -3.474 -5.403 -4.928 306 HH TYR 59 HH TYR 59 -3.360 -8.346 -6.958 307 H THR 60 H THR 60 -4.017 -0.426 -7.825 308 HA THR 60 HA THR 60 -6.680 -1.524 -8.444 309 HB THR 60 HB THR 60 -6.043 -2.833 -6.474 310 HG1 THR 60 HG1 THR 60 -8.203 -2.399 -6.769 311 HG21 THR 60 HG21 THR 60 -5.932 -1.847 -4.254 312 HG22 THR 60 HG22 THR 60 -6.065 -0.212 -4.925 313 HG23 THR 60 HG23 THR 60 -4.634 -1.214 -5.273 314 H GLY 61 H GLY 61 -4.749 1.166 -7.218 315 HA2 GLY 61 HA2 GLY 61 -5.098 3.396 -7.616 316 HA3 GLY 61 HA3 GLY 61 -6.592 3.000 -8.451 317 H GLY 62 H GLY 62 -6.432 1.855 -5.213 318 HA2 GLY 62 HA2 GLY 62 -8.784 3.017 -4.322 319 HA3 GLY 62 HA3 GLY 62 -7.545 2.374 -3.258 320 H TYR 63 H TYR 63 -5.659 3.956 -2.927 321 HA TYR 63 HA TYR 63 -6.610 6.759 -2.487 322 HB2 TYR 63 HB2 TYR 63 -5.345 5.035 -0.341 323 HB3 TYR 63 HB3 TYR 63 -5.989 6.656 -0.145 324 HD1 TYR 63 HD2 TYR 63 -8.530 7.013 -0.432 325 HD2 TYR 63 HD1 TYR 63 -6.722 3.112 -0.058 326 HE1 TYR 63 HE2 TYR 63 -10.757 6.024 0.111 327 HE2 TYR 63 HE1 TYR 63 -8.948 2.133 0.490 328 HH TYR 63 HH TYR 63 -11.195 2.517 0.661 329 H SER 64 H SER 64 -5.043 8.308 -2.198 330 HA SER 64 HA SER 64 -2.225 7.588 -2.940 331 HB2 SER 64 HB2 SER 64 -3.753 10.129 -3.574 332 HB3 SER 64 HB3 SER 64 -2.093 9.744 -4.056 333 HG SER 64 HG SER 64 -4.481 8.402 -4.840 334 H ARG 65 H ARG 65 -3.841 8.528 -0.252 335 HA ARG 65 HA ARG 65 -1.389 9.687 0.973 336 HB2 ARG 65 HB2 ARG 65 -4.209 10.811 1.211 337 HB3 ARG 65 HB3 ARG 65 -2.971 11.154 2.402 338 HG2 ARG 65 HG2 ARG 65 -2.710 11.880 -0.549 339 HG3 ARG 65 HG3 ARG 65 -3.311 12.951 0.722 340 HD2 ARG 65 HD2 ARG 65 -1.143 12.587 1.969 341 HD3 ARG 65 HD3 ARG 65 -0.518 11.761 0.526 342 HE ARG 65 HE ARG 65 -1.429 14.162 -0.470 343 HH11 ARG 65 HH11 ARG 65 0.853 13.433 2.077 344 HH12 ARG 65 HH12 ARG 65 1.682 14.955 1.898 345 HH21 ARG 65 HH21 ARG 65 -0.339 16.081 -0.650 346 HH22 ARG 65 HH22 ARG 65 1.024 16.404 0.380 347 H MET 66 H MET 66 -1.017 9.064 3.026 348 HA MET 66 HA MET 66 -2.072 6.565 3.887 349 HB2 MET 66 HB2 MET 66 0.207 7.481 4.359 350 HB3 MET 66 HB3 MET 66 -0.511 8.618 5.493 351 HG2 MET 66 HG2 MET 66 0.422 6.724 6.682 352 HG3 MET 66 HG3 MET 66 -1.327 6.740 6.869 353 HE1 MET 66 HE1 MET 66 1.056 5.361 3.935 354 HE2 MET 66 HE2 MET 66 1.815 4.858 5.461 355 HE3 MET 66 HE3 MET 66 1.094 3.645 4.381 356 H GLY 67 H GLY 67 -2.910 9.876 4.843 357 HA2 GLY 67 HA2 GLY 67 -4.710 9.180 7.002 358 HA3 GLY 67 HA3 GLY 67 -4.591 10.737 6.187 359 H GLU 68 H GLU 68 -5.137 8.899 3.596 360 HA GLU 68 HA GLU 68 -8.113 9.116 3.747 361 HB2 GLU 68 HB2 GLU 68 -6.242 8.776 1.379 362 HB3 GLU 68 HB3 GLU 68 -7.997 8.838 1.281 363 HG2 GLU 68 HG2 GLU 68 -6.189 11.067 2.306 364 HG3 GLU 68 HG3 GLU 68 -6.958 11.005 0.725 365 H CYS 69 H CYS 69 -5.525 6.700 3.103 366 HA CYS 69 HA CYS 69 -7.437 4.511 2.779 367 HB2 CYS 69 HB2 CYS 69 -5.595 3.079 2.752 368 HB3 CYS 69 HB3 CYS 69 -5.274 4.475 1.761 369 H ALA 70 H ALA 70 -5.435 5.646 5.559 370 HA ALA 70 HA ALA 70 -6.388 3.618 7.328 371 HB1 ALA 70 HB1 ALA 70 -4.223 4.825 7.512 372 HB2 ALA 70 HB2 ALA 70 -5.097 6.317 7.934 373 HB3 ALA 70 HB3 ALA 70 -5.159 4.910 9.017 374 H ARG 71 H ARG 71 -8.040 6.525 6.391 375 HA ARG 71 HA ARG 71 -9.842 6.414 8.769 376 HB2 ARG 71 HB2 ARG 71 -11.032 8.255 7.890 377 HB3 ARG 71 HB3 ARG 71 -9.309 8.611 7.791 378 HG2 ARG 71 HG2 ARG 71 -9.334 8.128 5.375 379 HG3 ARG 71 HG3 ARG 71 -11.038 7.661 5.457 380 HD2 ARG 71 HD2 ARG 71 -10.905 9.878 4.557 381 HD3 ARG 71 HD3 ARG 71 -11.635 9.948 6.173 382 HE ARG 71 HE ARG 71 -8.736 10.359 6.168 383 HH11 ARG 71 HH11 ARG 71 -11.712 12.110 5.639 384 HH12 ARG 71 HH12 ARG 71 -11.013 13.638 6.105 385 HH21 ARG 71 HH21 ARG 71 -7.906 12.294 6.752 386 HH22 ARG 71 HH22 ARG 71 -8.886 13.734 6.716 387 H ASN 72 H ASN 72 -9.732 5.077 5.579 388 HA ASN 72 HA ASN 72 -12.581 4.221 5.639 389 HB2 ASN 72 HB2 ASN 72 -10.369 4.125 3.545 390 HB3 ASN 72 HB3 ASN 72 -11.887 3.248 3.365 391 HD21 ASN 72 HD21 ASN 72 -10.407 6.386 3.049 392 HD22 ASN 72 HD22 ASN 72 -11.915 7.198 2.623 393 H CYS 73 H CYS 73 -9.370 2.843 6.087 394 HA CYS 73 HA CYS 73 -10.548 0.153 6.651 395 HB2 CYS 73 HB2 CYS 73 -7.993 1.124 5.461 396 HB3 CYS 73 HB3 CYS 73 -7.847 -0.226 6.566 397 HA PRO 74 HA PRO 74 -9.945 0.465 10.884 398 HB2 PRO 74 HB2 PRO 74 -9.294 -2.017 11.777 399 HB3 PRO 74 HB3 PRO 74 -10.825 -1.671 10.916 400 HG2 PRO 74 HG2 PRO 74 -8.247 -2.772 9.760 401 HG3 PRO 74 HG3 PRO 74 -9.908 -3.430 9.572 402 HD2 PRO 74 HD2 PRO 74 -8.759 -1.829 7.710 403 HD3 PRO 74 HD3 PRO 74 -10.510 -1.725 8.069 404 H GLY 75 H GLY 75 -7.110 0.085 9.180 405 HA2 GLY 75 HA2 GLY 75 -5.014 -0.466 10.958 406 HA3 GLY 75 HA3 GLY 75 -4.865 0.576 9.554 Start of MODEL 18 1 H1 GLY 19 H1 GLY 19 0.163 3.846 17.906 2 H2 GLY 19 H2 GLY 19 0.715 3.590 19.426 3 H3 GLY 19 H3 GLY 19 1.287 4.851 18.550 4 HA2 GLY 19 HA2 GLY 19 2.339 3.367 16.968 5 HA3 GLY 19 HA3 GLY 19 2.928 3.096 18.617 6 H ASP 20 H ASP 20 0.919 1.841 16.012 7 HA ASP 20 HA ASP 20 0.784 -0.856 17.256 8 HB2 ASP 20 HB2 ASP 20 -1.592 0.735 16.185 9 HB3 ASP 20 HB3 ASP 20 -1.633 -0.970 16.610 10 H LYS 21 H LYS 21 -0.143 -2.425 15.626 11 HA LYS 21 HA LYS 21 0.286 -3.655 13.714 12 HB2 LYS 21 HB2 LYS 21 -0.638 -1.117 12.327 13 HB3 LYS 21 HB3 LYS 21 -0.712 -2.757 11.693 14 HG2 LYS 21 HG2 LYS 21 -2.307 -1.666 14.049 15 HG3 LYS 21 HG3 LYS 21 -2.896 -1.973 12.420 16 HD2 LYS 21 HD2 LYS 21 -2.343 -4.404 12.702 17 HD3 LYS 21 HD3 LYS 21 -1.947 -4.094 14.397 18 HE2 LYS 21 HE2 LYS 21 -4.642 -3.521 13.076 19 HE3 LYS 21 HE3 LYS 21 -4.266 -4.980 13.998 20 HZ1 LYS 21 HZ1 LYS 21 -5.388 -3.373 15.398 21 HZ2 LYS 21 HZ2 LYS 21 -4.271 -2.222 15.107 22 HZ3 LYS 21 HZ3 LYS 21 -3.869 -3.567 15.953 23 H GLU 22 H GLU 22 2.633 -2.836 14.675 24 HA GLU 22 HA GLU 22 4.392 -1.432 13.010 25 HB2 GLU 22 HB2 GLU 22 4.647 -2.125 15.429 26 HB3 GLU 22 HB3 GLU 22 5.040 -3.759 14.871 27 HG2 GLU 22 HG2 GLU 22 6.977 -2.851 13.626 28 HG3 GLU 22 HG3 GLU 22 6.523 -1.214 14.120 29 H GLU 23 H GLU 23 3.425 -4.822 12.844 30 HA GLU 23 HA GLU 23 5.002 -5.220 10.326 31 HB2 GLU 23 HB2 GLU 23 3.817 -7.275 12.241 32 HB3 GLU 23 HB3 GLU 23 4.577 -7.641 10.689 33 HG2 GLU 23 HG2 GLU 23 6.707 -6.630 11.497 34 HG3 GLU 23 HG3 GLU 23 5.967 -6.348 13.075 35 H CYS 24 H CYS 24 3.883 -6.295 8.598 36 HA CYS 24 HA CYS 24 0.926 -6.322 8.652 37 HB2 CYS 24 HB2 CYS 24 1.686 -4.076 7.848 38 HB3 CYS 24 HB3 CYS 24 2.550 -4.860 6.530 39 H THR 25 H THR 25 -0.001 -7.796 7.265 40 HA THR 25 HA THR 25 1.813 -9.784 5.941 41 HB THR 25 HB THR 25 -0.514 -10.379 7.815 42 HG1 THR 25 HG1 THR 25 2.284 -10.663 8.224 43 HG21 THR 25 HG21 THR 25 -0.186 -12.232 6.249 44 HG22 THR 25 HG22 THR 25 0.428 -12.687 7.838 45 HG23 THR 25 HG23 THR 25 1.569 -12.226 6.556 46 H VAL 26 H VAL 26 0.940 -10.976 4.250 47 HA VAL 26 HA VAL 26 -1.311 -9.633 2.870 48 HB VAL 26 HB VAL 26 -0.361 -10.494 0.808 49 HG11 VAL 26 HG11 VAL 26 1.898 -9.329 2.480 50 HG12 VAL 26 HG12 VAL 26 1.651 -9.200 0.729 51 HG13 VAL 26 HG13 VAL 26 0.546 -8.379 1.834 52 HG21 VAL 26 HG21 VAL 26 1.767 -11.702 0.727 53 HG22 VAL 26 HG22 VAL 26 1.788 -11.841 2.494 54 HG23 VAL 26 HG23 VAL 26 0.533 -12.663 1.539 55 HA PRO 27 HA PRO 27 -3.875 -13.317 2.876 56 HB2 PRO 27 HB2 PRO 27 -5.266 -13.070 0.512 57 HB3 PRO 27 HB3 PRO 27 -5.572 -12.063 1.959 58 HG2 PRO 27 HG2 PRO 27 -3.889 -11.361 -0.469 59 HG3 PRO 27 HG3 PRO 27 -5.130 -10.364 0.346 60 HD2 PRO 27 HD2 PRO 27 -2.476 -10.095 0.823 61 HD3 PRO 27 HD3 PRO 27 -3.677 -9.869 2.129 62 H ILE 28 H ILE 28 -4.151 -15.353 1.846 63 HA ILE 28 HA ILE 28 -1.749 -16.444 0.718 64 HB ILE 28 HB ILE 28 -4.506 -17.722 0.952 65 HG12 ILE 28 HG12 ILE 28 -3.177 -18.947 2.905 66 HG13 ILE 28 HG13 ILE 28 -2.172 -17.507 2.895 67 HG21 ILE 28 HG21 ILE 28 -3.260 -19.870 0.857 68 HG22 ILE 28 HG22 ILE 28 -3.104 -18.963 -0.634 69 HG23 ILE 28 HG23 ILE 28 -1.758 -18.980 0.534 70 HD11 ILE 28 HD11 ILE 28 -4.004 -17.519 4.601 71 HD12 ILE 28 HD12 ILE 28 -4.147 -16.139 3.513 72 HD13 ILE 28 HD13 ILE 28 -5.207 -17.555 3.299 73 H GLY 29 H GLY 29 -1.208 -17.007 -1.292 74 HA2 GLY 29 HA2 GLY 29 -1.285 -17.397 -3.574 75 HA3 GLY 29 HA3 GLY 29 -3.023 -17.138 -3.557 76 H TRP 30 H TRP 30 -1.882 -14.346 -2.202 77 HA TRP 30 HA TRP 30 -2.185 -12.782 -4.615 78 HB2 TRP 30 HB2 TRP 30 -2.756 -12.357 -2.058 79 HB3 TRP 30 HB3 TRP 30 -1.143 -11.668 -2.017 80 HD1 TRP 30 HD1 TRP 30 -4.540 -11.319 -3.753 81 HE1 TRP 30 HE1 TRP 30 -4.887 -8.881 -4.556 82 HE3 TRP 30 HE3 TRP 30 0.025 -9.425 -2.530 83 HZ2 TRP 30 HZ2 TRP 30 -3.353 -6.444 -4.659 84 HZ3 TRP 30 HZ3 TRP 30 0.592 -7.033 -3.032 85 HH2 TRP 30 HH2 TRP 30 -1.090 -5.550 -4.088 86 H SER 31 H SER 31 -0.558 -10.894 -4.951 87 HA SER 31 HA SER 31 2.188 -12.057 -5.283 88 HB2 SER 31 HB2 SER 31 0.790 -11.861 -7.338 89 HB3 SER 31 HB3 SER 31 0.821 -10.101 -7.137 90 HG SER 31 HG SER 31 3.012 -11.892 -7.566 91 H GLU 32 H GLU 32 2.790 -11.247 -3.310 92 HA GLU 32 HA GLU 32 2.646 -8.495 -2.518 93 HB2 GLU 32 HB2 GLU 32 3.976 -9.162 -0.616 94 HB3 GLU 32 HB3 GLU 32 2.782 -10.404 -0.969 95 HG2 GLU 32 HG2 GLU 32 4.565 -11.743 -2.124 96 HG3 GLU 32 HG3 GLU 32 5.751 -10.521 -1.656 97 HA PRO 33 HA PRO 33 6.362 -6.743 -4.342 98 HB2 PRO 33 HB2 PRO 33 6.925 -4.671 -2.660 99 HB3 PRO 33 HB3 PRO 33 5.445 -4.703 -3.665 100 HG2 PRO 33 HG2 PRO 33 5.730 -5.565 -0.763 101 HG3 PRO 33 HG3 PRO 33 4.538 -4.418 -1.452 102 HD2 PRO 33 HD2 PRO 33 3.912 -7.020 -1.067 103 HD3 PRO 33 HD3 PRO 33 3.347 -6.163 -2.530 104 H VAL 34 H VAL 34 8.639 -6.249 -3.883 105 HA VAL 34 HA VAL 34 9.857 -7.886 -1.689 106 HB VAL 34 HB VAL 34 11.165 -7.820 -4.393 107 HG11 VAL 34 HG11 VAL 34 12.327 -8.906 -2.455 108 HG12 VAL 34 HG12 VAL 34 10.926 -9.968 -2.225 109 HG13 VAL 34 HG13 VAL 34 11.909 -10.079 -3.700 110 HG21 VAL 34 HG21 VAL 34 8.916 -8.545 -5.028 111 HG22 VAL 34 HG22 VAL 34 10.007 -9.925 -5.039 112 HG23 VAL 34 HG23 VAL 34 8.881 -9.710 -3.682 113 H LYS 35 H LYS 35 9.519 -4.855 -2.320 114 HA LYS 35 HA LYS 35 12.288 -4.011 -1.562 115 HB2 LYS 35 HB2 LYS 35 10.518 -2.642 -3.630 116 HB3 LYS 35 HB3 LYS 35 12.045 -2.004 -3.012 117 HG2 LYS 35 HG2 LYS 35 13.214 -4.053 -3.889 118 HG3 LYS 35 HG3 LYS 35 11.704 -4.539 -4.670 119 HD2 LYS 35 HD2 LYS 35 13.225 -1.945 -5.195 120 HD3 LYS 35 HD3 LYS 35 13.248 -3.387 -6.222 121 HE2 LYS 35 HE2 LYS 35 10.793 -3.180 -6.581 122 HE3 LYS 35 HE3 LYS 35 10.769 -1.731 -5.571 123 HZ1 LYS 35 HZ1 LYS 35 12.265 -0.673 -7.193 124 HZ2 LYS 35 HZ2 LYS 35 10.847 -1.129 -7.873 125 HZ3 LYS 35 HZ3 LYS 35 12.208 -2.004 -8.150 126 H GLY 36 H GLY 36 12.317 -1.762 -0.729 127 HA2 GLY 36 HA2 GLY 36 9.915 -0.640 0.552 128 HA3 GLY 36 HA3 GLY 36 11.001 -1.475 1.661 129 H LEU 37 H LEU 37 12.035 0.478 -1.135 130 HA LEU 37 HA LEU 37 13.764 2.109 0.644 131 HB2 LEU 37 HB2 LEU 37 13.771 1.570 -2.350 132 HB3 LEU 37 HB3 LEU 37 14.710 2.853 -1.598 133 HG LEU 37 HG LEU 37 15.842 1.153 -0.131 134 HD11 LEU 37 HD11 LEU 37 15.895 -1.202 -1.008 135 HD12 LEU 37 HD12 LEU 37 14.495 -0.819 -2.033 136 HD13 LEU 37 HD13 LEU 37 14.368 -0.776 -0.250 137 HD21 LEU 37 HD21 LEU 37 16.140 0.828 -3.145 138 HD22 LEU 37 HD22 LEU 37 17.362 0.415 -1.919 139 HD23 LEU 37 HD23 LEU 37 16.883 2.101 -2.149 140 H CYS 38 H CYS 38 12.088 3.339 1.514 141 HA CYS 38 HA CYS 38 10.411 5.155 0.054 142 HB2 CYS 38 HB2 CYS 38 11.379 5.250 2.931 143 HB3 CYS 38 HB3 CYS 38 10.069 6.226 2.243 144 HG CYS 38 HG CYS 38 9.040 4.279 3.690 145 H LYS 39 H LYS 39 11.999 5.884 -1.440 146 HA LYS 39 HA LYS 39 13.451 8.414 -0.667 147 HB2 LYS 39 HB2 LYS 39 14.272 6.226 -2.621 148 HB3 LYS 39 HB3 LYS 39 15.073 7.781 -2.524 149 HG2 LYS 39 HG2 LYS 39 14.871 5.786 -0.233 150 HG3 LYS 39 HG3 LYS 39 16.236 5.898 -1.321 151 HD2 LYS 39 HD2 LYS 39 15.385 8.285 0.386 152 HD3 LYS 39 HD3 LYS 39 16.388 6.989 0.998 153 HE2 LYS 39 HE2 LYS 39 17.910 8.634 0.375 154 HE3 LYS 39 HE3 LYS 39 18.035 7.386 -0.861 155 HZ1 LYS 39 HZ1 LYS 39 16.525 9.937 -1.156 156 HZ2 LYS 39 HZ2 LYS 39 16.711 8.806 -2.332 157 HZ3 LYS 39 HZ3 LYS 39 17.995 9.642 -1.790 158 H ALA 40 H ALA 40 11.378 9.355 -1.131 159 HA ALA 40 HA ALA 40 9.799 10.456 -2.397 160 HB1 ALA 40 HB1 ALA 40 11.782 11.870 -2.555 161 HB2 ALA 40 HB2 ALA 40 12.257 11.014 -4.052 162 HB3 ALA 40 HB3 ALA 40 10.760 11.977 -4.015 163 H ARG 41 H ARG 41 9.688 7.885 -2.953 164 HA ARG 41 HA ARG 41 9.525 7.237 -5.822 165 HB2 ARG 41 HB2 ARG 41 8.278 5.737 -3.487 166 HB3 ARG 41 HB3 ARG 41 8.545 5.119 -5.116 167 HG2 ARG 41 HG2 ARG 41 10.783 5.892 -3.191 168 HG3 ARG 41 HG3 ARG 41 10.134 4.271 -3.415 169 HD2 ARG 41 HD2 ARG 41 12.075 4.288 -4.710 170 HD3 ARG 41 HD3 ARG 41 10.756 4.452 -5.876 171 HE ARG 41 HE ARG 41 12.193 6.880 -4.842 172 HH11 ARG 41 HH11 ARG 41 11.598 4.896 -7.661 173 HH12 ARG 41 HH12 ARG 41 12.222 6.115 -8.740 174 HH21 ARG 41 HH21 ARG 41 12.914 8.345 -6.191 175 HH22 ARG 41 HH22 ARG 41 12.970 8.051 -7.912 176 H PHE 42 H PHE 42 7.246 8.473 -3.511 177 HA PHE 42 HA PHE 42 5.021 8.975 -3.527 178 HB2 PHE 42 HB2 PHE 42 5.804 9.826 -6.319 179 HB3 PHE 42 HB3 PHE 42 4.261 10.222 -5.578 180 HD1 PHE 42 HD2 PHE 42 4.140 11.557 -3.474 181 HD2 PHE 42 HD1 PHE 42 7.826 11.087 -5.661 182 HE1 PHE 42 HE2 PHE 42 5.090 13.541 -2.309 183 HE2 PHE 42 HE1 PHE 42 8.758 13.076 -4.517 184 HZ PHE 42 HZ PHE 42 7.404 14.297 -2.833 185 H THR 43 H THR 43 5.680 6.284 -4.233 186 HA THR 43 HA THR 43 3.985 5.016 -6.080 187 HB THR 43 HB THR 43 5.045 3.968 -3.423 188 HG1 THR 43 HG1 THR 43 6.730 3.232 -4.780 189 HG21 THR 43 HG21 THR 43 4.080 2.544 -5.933 190 HG22 THR 43 HG22 THR 43 3.508 2.318 -4.257 191 HG23 THR 43 HG23 THR 43 5.118 1.768 -4.723 192 H ARG 44 H ARG 44 2.087 3.768 -5.850 193 HA ARG 44 HA ARG 44 -0.072 4.976 -4.348 194 HB2 ARG 44 HB2 ARG 44 0.112 3.517 -6.686 195 HB3 ARG 44 HB3 ARG 44 -0.404 2.259 -5.570 196 HG2 ARG 44 HG2 ARG 44 -2.435 3.047 -6.321 197 HG3 ARG 44 HG3 ARG 44 -2.230 4.083 -4.905 198 HD2 ARG 44 HD2 ARG 44 -1.071 5.739 -6.569 199 HD3 ARG 44 HD3 ARG 44 -1.740 4.711 -7.852 200 HE ARG 44 HE ARG 44 -3.416 5.810 -5.673 201 HH11 ARG 44 HH11 ARG 44 -2.840 5.908 -9.138 202 HH12 ARG 44 HH12 ARG 44 -4.300 6.803 -9.447 203 HH21 ARG 44 HH21 ARG 44 -5.273 6.916 -6.151 204 HH22 ARG 44 HH22 ARG 44 -5.643 7.359 -7.792 205 H TYR 45 H TYR 45 -1.398 3.999 -2.759 206 HA TYR 45 HA TYR 45 -0.222 1.743 -1.183 207 HB2 TYR 45 HB2 TYR 45 -1.580 4.158 0.034 208 HB3 TYR 45 HB3 TYR 45 -0.728 2.872 0.868 209 HD1 TYR 45 HD1 TYR 45 1.899 2.692 -0.442 210 HD2 TYR 45 HD2 TYR 45 -0.511 6.176 0.408 211 HE1 TYR 45 HE1 TYR 45 3.952 4.086 -0.283 212 HE2 TYR 45 HE2 TYR 45 1.556 7.570 0.492 213 HH TYR 45 HH TYR 45 4.816 6.166 0.066 214 H TYR 46 H TYR 46 -1.654 0.311 -0.280 215 HA TYR 46 HA TYR 46 -4.597 0.771 -0.448 216 HB2 TYR 46 HB2 TYR 46 -3.109 -1.636 -1.551 217 HB3 TYR 46 HB3 TYR 46 -4.843 -1.560 -1.348 218 HD1 TYR 46 HD2 TYR 46 -1.960 -0.077 -3.218 219 HD2 TYR 46 HD1 TYR 46 -6.238 -0.637 -3.060 220 HE1 TYR 46 HE2 TYR 46 -2.149 0.741 -5.547 221 HE2 TYR 46 HE1 TYR 46 -6.422 0.200 -5.403 222 HH TYR 46 HH TYR 46 -3.556 1.392 -7.193 223 H CYS 47 H CYS 47 -5.729 -0.208 1.226 224 HA CYS 47 HA CYS 47 -4.172 -1.580 3.354 225 HB2 CYS 47 HB2 CYS 47 -5.666 0.325 3.984 226 HB3 CYS 47 HB3 CYS 47 -7.044 -0.634 3.422 227 H MET 48 H MET 48 -4.104 -3.686 3.486 228 HA MET 48 HA MET 48 -5.928 -5.431 1.959 229 HB2 MET 48 HB2 MET 48 -3.508 -5.890 3.721 230 HB3 MET 48 HB3 MET 48 -4.528 -7.241 3.199 231 HG2 MET 48 HG2 MET 48 -4.269 -6.624 0.860 232 HG3 MET 48 HG3 MET 48 -3.256 -5.242 1.297 233 HE1 MET 48 HE1 MET 48 -1.137 -8.264 -0.448 234 HE2 MET 48 HE2 MET 48 -2.912 -8.294 -0.513 235 HE3 MET 48 HE3 MET 48 -2.043 -6.782 -0.826 236 H GLY 49 H GLY 49 -6.180 -4.089 5.088 237 HA2 GLY 49 HA2 GLY 49 -8.716 -4.726 5.605 238 HA3 GLY 49 HA3 GLY 49 -7.980 -6.243 6.115 239 H ASN 50 H ASN 50 -5.674 -5.268 7.374 240 HA ASN 50 HA ASN 50 -6.681 -3.464 9.548 241 HB2 ASN 50 HB2 ASN 50 -5.668 -4.782 11.233 242 HB3 ASN 50 HB3 ASN 50 -6.654 -5.862 10.257 243 HD21 ASN 50 HD21 ASN 50 -5.572 -7.547 9.042 244 HD22 ASN 50 HD22 ASN 50 -3.848 -7.818 9.270 245 H CYS 51 H CYS 51 -4.266 -3.905 7.221 246 HA CYS 51 HA CYS 51 -2.792 -1.548 8.103 247 HB2 CYS 51 HB2 CYS 51 -0.609 -2.720 7.962 248 HB3 CYS 51 HB3 CYS 51 -1.617 -3.345 9.259 249 H CYS 52 H CYS 52 -1.295 -0.829 6.351 250 HA CYS 52 HA CYS 52 -2.086 -1.806 3.649 251 HB2 CYS 52 HB2 CYS 52 -1.668 0.607 2.915 252 HB3 CYS 52 HB3 CYS 52 -3.153 0.262 3.769 253 H LYS 53 H LYS 53 -0.684 -1.751 2.051 254 HA LYS 53 HA LYS 53 2.239 -1.442 2.690 255 HB2 LYS 53 HB2 LYS 53 0.868 -3.862 1.957 256 HB3 LYS 53 HB3 LYS 53 1.807 -3.363 0.573 257 HG2 LYS 53 HG2 LYS 53 3.863 -3.332 1.860 258 HG3 LYS 53 HG3 LYS 53 2.973 -3.680 3.360 259 HD2 LYS 53 HD2 LYS 53 2.318 -5.879 2.554 260 HD3 LYS 53 HD3 LYS 53 2.888 -5.513 0.928 261 HE2 LYS 53 HE2 LYS 53 4.472 -6.982 1.909 262 HE3 LYS 53 HE3 LYS 53 5.223 -5.395 1.732 263 HZ1 LYS 53 HZ1 LYS 53 4.827 -5.023 4.117 264 HZ2 LYS 53 HZ2 LYS 53 5.701 -6.380 3.900 265 HZ3 LYS 53 HZ3 LYS 53 4.119 -6.496 4.271 266 H VAL 54 H VAL 54 3.468 -1.592 0.482 267 HA VAL 54 HA VAL 54 2.470 0.655 -1.208 268 HB VAL 54 HB VAL 54 4.223 1.333 0.322 269 HG11 VAL 54 HG11 VAL 54 6.517 0.554 0.180 270 HG12 VAL 54 HG12 VAL 54 5.469 -0.812 0.587 271 HG13 VAL 54 HG13 VAL 54 6.088 -0.626 -1.070 272 HG21 VAL 54 HG21 VAL 54 4.065 2.342 -1.942 273 HG22 VAL 54 HG22 VAL 54 5.700 2.402 -1.254 274 HG23 VAL 54 HG23 VAL 54 5.318 1.203 -2.502 275 H TYR 55 H TYR 55 2.226 0.314 -3.254 276 HA TYR 55 HA TYR 55 3.393 -2.127 -4.551 277 HB2 TYR 55 HB2 TYR 55 0.531 -1.175 -4.830 278 HB3 TYR 55 HB3 TYR 55 1.247 -2.591 -5.585 279 HD1 TYR 55 HD2 TYR 55 2.736 -3.781 -3.189 280 HD2 TYR 55 HD1 TYR 55 -1.238 -2.145 -3.597 281 HE1 TYR 55 HE2 TYR 55 1.974 -5.032 -1.151 282 HE2 TYR 55 HE1 TYR 55 -1.971 -3.470 -1.612 283 HH TYR 55 HH TYR 55 -1.306 -4.775 0.121 284 H GLU 56 H GLU 56 4.550 -1.623 -6.236 285 HA GLU 56 HA GLU 56 4.836 0.938 -7.366 286 HB2 GLU 56 HB2 GLU 56 5.612 -1.778 -8.479 287 HB3 GLU 56 HB3 GLU 56 6.132 -0.222 -9.144 288 HG2 GLU 56 HG2 GLU 56 7.168 0.367 -6.958 289 HG3 GLU 56 HG3 GLU 56 6.720 -1.217 -6.321 290 H GLY 57 H GLY 57 3.557 2.092 -8.588 291 HA2 GLY 57 HA2 GLY 57 2.394 2.721 -10.506 292 HA3 GLY 57 HA3 GLY 57 2.261 1.038 -11.007 293 H CYS 58 H CYS 58 0.129 2.448 -11.456 294 HA CYS 58 HA CYS 58 -1.808 2.503 -9.253 295 HB2 CYS 58 HB2 CYS 58 -2.120 3.009 -12.239 296 HB3 CYS 58 HB3 CYS 58 -3.364 3.285 -11.011 297 HG CYS 58 HG CYS 58 -0.316 4.623 -11.170 298 H TYR 59 H TYR 59 -1.679 0.281 -8.630 299 HA TYR 59 HA TYR 59 -2.158 -2.009 -10.057 300 HB2 TYR 59 HB2 TYR 59 -1.592 -1.768 -7.622 301 HB3 TYR 59 HB3 TYR 59 -3.284 -1.441 -7.292 302 HD1 TYR 59 HD2 TYR 59 -5.019 -3.238 -7.678 303 HD2 TYR 59 HD1 TYR 59 -0.779 -4.004 -7.952 304 HE1 TYR 59 HE2 TYR 59 -5.447 -5.679 -7.511 305 HE2 TYR 59 HE1 TYR 59 -1.209 -6.444 -7.749 306 HH TYR 59 HH TYR 59 -2.791 -8.088 -7.572 307 H THR 60 H THR 60 -4.785 -0.106 -8.557 308 HA THR 60 HA THR 60 -6.570 -0.728 -10.862 309 HB THR 60 HB THR 60 -7.448 -0.819 -7.946 310 HG1 THR 60 HG1 THR 60 -7.217 -2.840 -9.928 311 HG21 THR 60 HG21 THR 60 -9.246 0.040 -9.349 312 HG22 THR 60 HG22 THR 60 -9.601 -1.631 -8.896 313 HG23 THR 60 HG23 THR 60 -8.997 -1.268 -10.531 314 H GLY 61 H GLY 61 -6.006 1.319 -8.000 315 HA2 GLY 61 HA2 GLY 61 -5.774 3.797 -8.614 316 HA3 GLY 61 HA3 GLY 61 -7.401 3.645 -9.279 317 H GLY 62 H GLY 62 -5.745 2.669 -6.235 318 HA2 GLY 62 HA2 GLY 62 -8.166 2.958 -4.644 319 HA3 GLY 62 HA3 GLY 62 -6.577 2.480 -4.071 320 H TYR 63 H TYR 63 -5.141 4.036 -3.281 321 HA TYR 63 HA TYR 63 -6.397 6.650 -2.531 322 HB2 TYR 63 HB2 TYR 63 -4.197 5.085 -1.157 323 HB3 TYR 63 HB3 TYR 63 -4.973 6.531 -0.559 324 HD1 TYR 63 HD1 TYR 63 -7.907 5.861 -1.100 325 HD2 TYR 63 HD2 TYR 63 -4.671 3.498 0.514 326 HE1 TYR 63 HE1 TYR 63 -9.546 4.403 0.049 327 HE2 TYR 63 HE2 TYR 63 -6.337 2.049 1.687 328 HH TYR 63 HH TYR 63 -9.850 2.484 1.257 329 H SER 64 H SER 64 -5.065 8.482 -2.214 330 HA SER 64 HA SER 64 -2.738 8.731 -4.082 331 HB2 SER 64 HB2 SER 64 -4.765 10.185 -4.427 332 HB3 SER 64 HB3 SER 64 -4.494 10.875 -2.821 333 HG SER 64 HG SER 64 -2.787 11.009 -5.107 334 H ARG 65 H ARG 65 -3.810 9.115 -0.742 335 HA ARG 65 HA ARG 65 -0.975 9.475 0.186 336 HB2 ARG 65 HB2 ARG 65 -3.494 10.896 1.178 337 HB3 ARG 65 HB3 ARG 65 -1.960 10.928 2.037 338 HG2 ARG 65 HG2 ARG 65 -2.358 12.021 -0.785 339 HG3 ARG 65 HG3 ARG 65 -2.419 12.971 0.702 340 HD2 ARG 65 HD2 ARG 65 -0.097 12.268 1.246 341 HD3 ARG 65 HD3 ARG 65 -0.005 11.416 -0.310 342 HE ARG 65 HE ARG 65 -0.797 14.025 -0.939 343 HH11 ARG 65 HH11 ARG 65 2.058 12.636 0.520 344 HH12 ARG 65 HH12 ARG 65 3.078 13.949 -0.003 345 HH21 ARG 65 HH21 ARG 65 0.541 15.656 -1.590 346 HH22 ARG 65 HH22 ARG 65 2.230 15.607 -1.187 347 H MET 66 H MET 66 -0.447 8.561 2.162 348 HA MET 66 HA MET 66 -1.827 6.132 2.864 349 HB2 MET 66 HB2 MET 66 0.616 6.542 3.036 350 HB3 MET 66 HB3 MET 66 0.337 7.604 4.412 351 HG2 MET 66 HG2 MET 66 -0.572 5.759 5.714 352 HG3 MET 66 HG3 MET 66 -0.567 4.692 4.310 353 HE1 MET 66 HE1 MET 66 1.443 3.423 3.371 354 HE2 MET 66 HE2 MET 66 2.242 4.948 2.924 355 HE3 MET 66 HE3 MET 66 3.135 3.712 3.828 356 H GLY 67 H GLY 67 -2.263 9.406 3.981 357 HA2 GLY 67 HA2 GLY 67 -3.724 8.918 6.405 358 HA3 GLY 67 HA3 GLY 67 -3.910 10.313 5.344 359 H GLU 68 H GLU 68 -4.634 8.208 3.094 360 HA GLU 68 HA GLU 68 -7.523 8.019 3.697 361 HB2 GLU 68 HB2 GLU 68 -5.943 7.290 1.235 362 HB3 GLU 68 HB3 GLU 68 -7.701 7.250 1.379 363 HG2 GLU 68 HG2 GLU 68 -7.783 9.666 1.754 364 HG3 GLU 68 HG3 GLU 68 -6.021 9.776 1.721 365 H CYS 69 H CYS 69 -4.720 5.889 3.633 366 HA CYS 69 HA CYS 69 -6.146 3.345 3.826 367 HB2 CYS 69 HB2 CYS 69 -3.899 3.099 3.310 368 HB3 CYS 69 HB3 CYS 69 -3.367 4.315 4.456 369 H ALA 70 H ALA 70 -4.637 5.456 6.306 370 HA ALA 70 HA ALA 70 -5.579 3.946 8.480 371 HB1 ALA 70 HB1 ALA 70 -4.686 5.829 9.818 372 HB2 ALA 70 HB2 ALA 70 -3.603 5.439 8.469 373 HB3 ALA 70 HB3 ALA 70 -4.667 6.862 8.370 374 H ARG 71 H ARG 71 -7.467 6.231 6.723 375 HA ARG 71 HA ARG 71 -9.470 6.471 8.935 376 HB2 ARG 71 HB2 ARG 71 -10.619 8.073 7.665 377 HB3 ARG 71 HB3 ARG 71 -8.904 8.459 7.543 378 HG2 ARG 71 HG2 ARG 71 -8.903 7.287 5.279 379 HG3 ARG 71 HG3 ARG 71 -10.653 7.103 5.432 380 HD2 ARG 71 HD2 ARG 71 -10.253 9.017 4.065 381 HD3 ARG 71 HD3 ARG 71 -10.865 9.587 5.628 382 HE ARG 71 HE ARG 71 -7.977 9.528 5.644 383 HH11 ARG 71 HH11 ARG 71 -10.539 11.470 4.263 384 HH12 ARG 71 HH12 ARG 71 -9.541 12.898 4.196 385 HH21 ARG 71 HH21 ARG 71 -6.794 11.345 5.595 386 HH22 ARG 71 HH22 ARG 71 -7.445 12.819 4.929 387 H ASN 72 H ASN 72 -8.961 4.575 6.072 388 HA ASN 72 HA ASN 72 -11.721 3.456 6.114 389 HB2 ASN 72 HB2 ASN 72 -9.335 3.184 4.242 390 HB3 ASN 72 HB3 ASN 72 -10.737 2.124 4.143 391 HD21 ASN 72 HD21 ASN 72 -9.522 5.203 3.221 392 HD22 ASN 72 HD22 ASN 72 -11.046 5.781 2.527 393 H CYS 73 H CYS 73 -8.656 2.780 7.496 394 HA CYS 73 HA CYS 73 -9.473 -0.001 8.202 395 HB2 CYS 73 HB2 CYS 73 -6.984 1.129 6.980 396 HB3 CYS 73 HB3 CYS 73 -6.753 -0.103 8.193 397 HA PRO 74 HA PRO 74 -8.847 0.978 12.413 398 HB2 PRO 74 HB2 PRO 74 -8.159 -1.392 13.564 399 HB3 PRO 74 HB3 PRO 74 -9.739 -1.133 12.764 400 HG2 PRO 74 HG2 PRO 74 -7.240 -2.383 11.568 401 HG3 PRO 74 HG3 PRO 74 -8.904 -3.059 11.592 402 HD2 PRO 74 HD2 PRO 74 -7.977 -1.692 9.437 403 HD3 PRO 74 HD3 PRO 74 -9.664 -1.498 9.988 404 H GLY 75 H GLY 75 -6.057 0.157 10.626 405 HA2 GLY 75 HA2 GLY 75 -4.140 0.964 12.791 406 HA3 GLY 75 HA3 GLY 75 -3.744 -0.081 11.425 Start of MODEL 19 1 H1 GLY 19 H1 GLY 19 15.927 -2.219 17.221 2 H2 GLY 19 H2 GLY 19 15.480 -1.010 18.231 3 H3 GLY 19 H3 GLY 19 14.794 -2.492 18.372 4 HA2 GLY 19 HA2 GLY 19 13.261 -0.957 17.321 5 HA3 GLY 19 HA3 GLY 19 14.482 -0.683 16.064 6 H ASP 20 H ASP 20 13.580 -1.561 14.289 7 HA ASP 20 HA ASP 20 12.609 -2.988 12.829 8 HB2 ASP 20 HB2 ASP 20 14.952 -3.767 13.137 9 HB3 ASP 20 HB3 ASP 20 14.371 -5.009 14.245 10 H LYS 21 H LYS 21 10.836 -2.562 14.825 11 HA LYS 21 HA LYS 21 9.549 -4.856 15.914 12 HB2 LYS 21 HB2 LYS 21 7.690 -3.460 16.411 13 HB3 LYS 21 HB3 LYS 21 9.154 -2.558 16.727 14 HG2 LYS 21 HG2 LYS 21 7.463 -2.219 14.199 15 HG3 LYS 21 HG3 LYS 21 7.222 -1.307 15.684 16 HD2 LYS 21 HD2 LYS 21 9.584 -0.466 15.524 17 HD3 LYS 21 HD3 LYS 21 9.704 -1.201 13.917 18 HE2 LYS 21 HE2 LYS 21 7.604 0.855 14.731 19 HE3 LYS 21 HE3 LYS 21 9.139 1.260 13.962 20 HZ1 LYS 21 HZ1 LYS 21 8.479 -0.088 12.046 21 HZ2 LYS 21 HZ2 LYS 21 7.380 1.084 12.319 22 HZ3 LYS 21 HZ3 LYS 21 7.044 -0.455 12.741 23 H GLU 22 H GLU 22 7.441 -5.707 15.463 24 HA GLU 22 HA GLU 22 7.311 -7.019 13.003 25 HB2 GLU 22 HB2 GLU 22 6.470 -7.732 15.273 26 HB3 GLU 22 HB3 GLU 22 5.079 -6.662 15.047 27 HG2 GLU 22 HG2 GLU 22 4.483 -7.927 12.989 28 HG3 GLU 22 HG3 GLU 22 5.898 -8.960 13.227 29 H GLU 23 H GLU 23 6.630 -6.395 11.046 30 HA GLU 23 HA GLU 23 4.808 -4.109 10.652 31 HB2 GLU 23 HB2 GLU 23 5.374 -4.334 8.303 32 HB3 GLU 23 HB3 GLU 23 6.823 -4.231 9.294 33 HG2 GLU 23 HG2 GLU 23 7.196 -6.651 9.093 34 HG3 GLU 23 HG3 GLU 23 5.673 -6.842 8.228 35 H CYS 24 H CYS 24 3.238 -4.451 8.748 36 HA CYS 24 HA CYS 24 1.360 -6.628 9.547 37 HB2 CYS 24 HB2 CYS 24 -0.386 -5.094 9.063 38 HB3 CYS 24 HB3 CYS 24 0.779 -4.278 10.098 39 H THR 25 H THR 25 3.411 -6.687 7.286 40 HA THR 25 HA THR 25 3.165 -6.108 4.880 41 HB THR 25 HB THR 25 3.345 -9.098 5.259 42 HG1 THR 25 HG1 THR 25 5.367 -7.171 5.750 43 HG21 THR 25 HG21 THR 25 4.860 -7.149 3.468 44 HG22 THR 25 HG22 THR 25 3.579 -8.259 2.930 45 HG23 THR 25 HG23 THR 25 5.102 -8.905 3.553 46 H VAL 26 H VAL 26 1.327 -9.047 5.388 47 HA VAL 26 HA VAL 26 -0.892 -8.144 3.662 48 HB VAL 26 HB VAL 26 -0.817 -10.386 2.444 49 HG11 VAL 26 HG11 VAL 26 0.676 -9.580 0.700 50 HG12 VAL 26 HG12 VAL 26 -0.283 -8.242 1.358 51 HG13 VAL 26 HG13 VAL 26 1.422 -8.429 1.817 52 HG21 VAL 26 HG21 VAL 26 1.307 -11.504 2.134 53 HG22 VAL 26 HG22 VAL 26 2.129 -10.383 3.232 54 HG23 VAL 26 HG23 VAL 26 0.908 -11.515 3.856 55 HA PRO 27 HA PRO 27 -3.196 -10.486 6.658 56 HB2 PRO 27 HB2 PRO 27 -5.610 -10.820 5.423 57 HB3 PRO 27 HB3 PRO 27 -4.999 -9.220 5.939 58 HG2 PRO 27 HG2 PRO 27 -4.837 -10.456 3.161 59 HG3 PRO 27 HG3 PRO 27 -5.408 -8.824 3.620 60 HD2 PRO 27 HD2 PRO 27 -2.865 -9.264 2.760 61 HD3 PRO 27 HD3 PRO 27 -3.220 -8.070 4.044 62 H ILE 28 H ILE 28 -2.788 -11.855 3.462 63 HA ILE 28 HA ILE 28 -2.866 -14.640 4.453 64 HB ILE 28 HB ILE 28 -4.143 -15.370 2.497 65 HG12 ILE 28 HG12 ILE 28 -4.708 -12.436 1.888 66 HG13 ILE 28 HG13 ILE 28 -3.556 -13.431 0.999 67 HG21 ILE 28 HG21 ILE 28 -6.335 -14.786 3.275 68 HG22 ILE 28 HG22 ILE 28 -5.267 -14.872 4.677 69 HG23 ILE 28 HG23 ILE 28 -5.746 -13.290 4.024 70 HD11 ILE 28 HD11 ILE 28 -5.395 -14.994 0.372 71 HD12 ILE 28 HD12 ILE 28 -6.556 -13.892 1.155 72 HD13 ILE 28 HD13 ILE 28 -5.616 -13.342 -0.240 73 H GLY 29 H GLY 29 -2.193 -16.093 2.430 74 HA2 GLY 29 HA2 GLY 29 0.529 -15.449 1.706 75 HA3 GLY 29 HA3 GLY 29 -0.432 -16.807 1.129 76 H TRP 30 H TRP 30 -1.002 -13.302 0.793 77 HA TRP 30 HA TRP 30 -1.750 -13.305 -1.980 78 HB2 TRP 30 HB2 TRP 30 -2.563 -11.658 -0.425 79 HB3 TRP 30 HB3 TRP 30 -0.938 -11.233 0.087 80 HD1 TRP 30 HD1 TRP 30 0.601 -10.052 -1.773 81 HE1 TRP 30 HE1 TRP 30 0.007 -8.270 -3.589 82 HE3 TRP 30 HE3 TRP 30 -4.468 -10.548 -1.715 83 HZ2 TRP 30 HZ2 TRP 30 -2.384 -7.258 -4.835 84 HZ3 TRP 30 HZ3 TRP 30 -5.901 -9.144 -3.198 85 HH2 TRP 30 HH2 TRP 30 -4.871 -7.509 -4.759 86 H SER 31 H SER 31 -0.584 -12.717 -3.793 87 HA SER 31 HA SER 31 2.294 -13.222 -3.785 88 HB2 SER 31 HB2 SER 31 0.736 -14.024 -5.544 89 HB3 SER 31 HB3 SER 31 0.552 -12.351 -6.106 90 HG SER 31 HG SER 31 2.208 -13.522 -7.236 91 H GLU 32 H GLU 32 3.052 -11.581 -2.502 92 HA GLU 32 HA GLU 32 2.878 -8.757 -3.032 93 HB2 GLU 32 HB2 GLU 32 4.881 -8.602 -1.549 94 HB3 GLU 32 HB3 GLU 32 3.541 -9.509 -0.855 95 HG2 GLU 32 HG2 GLU 32 4.663 -11.614 -1.208 96 HG3 GLU 32 HG3 GLU 32 5.883 -10.869 -2.244 97 HA PRO 33 HA PRO 33 5.874 -8.204 -6.320 98 HB2 PRO 33 HB2 PRO 33 6.816 -5.677 -5.876 99 HB3 PRO 33 HB3 PRO 33 5.140 -5.998 -6.417 100 HG2 PRO 33 HG2 PRO 33 6.105 -5.503 -3.584 101 HG3 PRO 33 HG3 PRO 33 4.731 -4.733 -4.440 102 HD2 PRO 33 HD2 PRO 33 4.360 -6.840 -2.769 103 HD3 PRO 33 HD3 PRO 33 3.416 -6.692 -4.277 104 H VAL 34 H VAL 34 7.963 -8.776 -6.632 105 HA VAL 34 HA VAL 34 9.749 -9.335 -4.387 106 HB VAL 34 HB VAL 34 10.299 -9.422 -7.381 107 HG11 VAL 34 HG11 VAL 34 12.151 -10.969 -6.750 108 HG12 VAL 34 HG12 VAL 34 12.418 -9.340 -6.134 109 HG13 VAL 34 HG13 VAL 34 11.846 -10.617 -5.036 110 HG21 VAL 34 HG21 VAL 34 8.508 -11.001 -6.738 111 HG22 VAL 34 HG22 VAL 34 9.993 -11.875 -7.113 112 HG23 VAL 34 HG23 VAL 34 9.518 -11.628 -5.419 113 H LYS 35 H LYS 35 9.588 -6.856 -6.880 114 HA LYS 35 HA LYS 35 12.007 -5.411 -6.102 115 HB2 LYS 35 HB2 LYS 35 9.593 -4.594 -7.787 116 HB3 LYS 35 HB3 LYS 35 11.034 -3.597 -7.543 117 HG2 LYS 35 HG2 LYS 35 12.456 -5.348 -8.559 118 HG3 LYS 35 HG3 LYS 35 11.040 -6.374 -8.788 119 HD2 LYS 35 HD2 LYS 35 11.543 -5.399 -10.873 120 HD3 LYS 35 HD3 LYS 35 10.053 -4.649 -10.323 121 HE2 LYS 35 HE2 LYS 35 12.763 -3.336 -9.839 122 HE3 LYS 35 HE3 LYS 35 11.998 -3.244 -11.423 123 HZ1 LYS 35 HZ1 LYS 35 10.072 -2.181 -10.409 124 HZ2 LYS 35 HZ2 LYS 35 11.418 -1.320 -10.100 125 HZ3 LYS 35 HZ3 LYS 35 10.747 -2.224 -8.924 126 H GLY 36 H GLY 36 12.018 -3.223 -5.339 127 HA2 GLY 36 HA2 GLY 36 10.055 -1.761 -4.025 128 HA3 GLY 36 HA3 GLY 36 10.648 -2.900 -2.806 129 H LEU 37 H LEU 37 12.082 -1.928 -1.535 130 HA LEU 37 HA LEU 37 13.611 -0.450 -0.686 131 HB2 LEU 37 HB2 LEU 37 15.151 -1.132 -3.207 132 HB3 LEU 37 HB3 LEU 37 15.820 -0.527 -1.695 133 HG LEU 37 HG LEU 37 14.478 -3.242 -2.085 134 HD11 LEU 37 HD11 LEU 37 16.688 -3.044 -3.160 135 HD12 LEU 37 HD12 LEU 37 16.734 -4.139 -1.769 136 HD13 LEU 37 HD13 LEU 37 17.393 -2.494 -1.622 137 HD21 LEU 37 HD21 LEU 37 15.356 -3.755 0.182 138 HD22 LEU 37 HD22 LEU 37 14.143 -2.476 0.231 139 HD23 LEU 37 HD23 LEU 37 15.868 -2.063 0.365 140 H CYS 38 H CYS 38 11.587 0.873 -1.712 141 HA CYS 38 HA CYS 38 12.073 2.907 -3.611 142 HB2 CYS 38 HB2 CYS 38 10.127 2.845 -1.256 143 HB3 CYS 38 HB3 CYS 38 10.009 3.912 -2.664 144 HG CYS 38 HG CYS 38 8.216 2.007 -2.870 145 H LYS 39 H LYS 39 12.489 5.077 -3.426 146 HA LYS 39 HA LYS 39 13.652 6.147 -0.890 147 HB2 LYS 39 HB2 LYS 39 15.503 7.151 -2.148 148 HB3 LYS 39 HB3 LYS 39 15.544 5.408 -2.075 149 HG2 LYS 39 HG2 LYS 39 14.318 6.753 -4.500 150 HG3 LYS 39 HG3 LYS 39 16.069 6.743 -4.323 151 HD2 LYS 39 HD2 LYS 39 14.402 4.200 -4.239 152 HD3 LYS 39 HD3 LYS 39 15.107 4.859 -5.717 153 HE2 LYS 39 HE2 LYS 39 17.353 4.599 -4.868 154 HE3 LYS 39 HE3 LYS 39 16.767 4.200 -3.248 155 HZ1 LYS 39 HZ1 LYS 39 17.391 2.208 -4.493 156 HZ2 LYS 39 HZ2 LYS 39 16.282 2.524 -5.648 157 HZ3 LYS 39 HZ3 LYS 39 15.798 2.172 -4.115 158 H ALA 40 H ALA 40 11.351 6.734 -3.191 159 HA ALA 40 HA ALA 40 11.399 9.655 -3.161 160 HB1 ALA 40 HB1 ALA 40 10.338 8.354 -4.995 161 HB2 ALA 40 HB2 ALA 40 9.160 7.689 -3.838 162 HB3 ALA 40 HB3 ALA 40 9.176 9.428 -4.204 163 H ARG 41 H ARG 41 9.525 10.819 -2.273 164 HA ARG 41 HA ARG 41 8.805 9.990 0.518 165 HB2 ARG 41 HB2 ARG 41 8.615 12.347 1.037 166 HB3 ARG 41 HB3 ARG 41 10.194 11.972 0.356 167 HG2 ARG 41 HG2 ARG 41 9.408 12.839 -1.872 168 HG3 ARG 41 HG3 ARG 41 7.881 13.322 -1.120 169 HD2 ARG 41 HD2 ARG 41 10.633 14.301 -0.243 170 HD3 ARG 41 HD3 ARG 41 9.601 15.135 -1.416 171 HE ARG 41 HE ARG 41 8.113 14.668 0.993 172 HH11 ARG 41 HH11 ARG 41 10.652 16.765 -0.177 173 HH12 ARG 41 HH12 ARG 41 10.221 18.057 0.910 174 HH21 ARG 41 HH21 ARG 41 7.608 16.340 2.360 175 HH22 ARG 41 HH22 ARG 41 8.538 17.808 2.312 176 H PHE 42 H PHE 42 7.372 9.647 -2.282 177 HA PHE 42 HA PHE 42 4.624 9.906 -1.280 178 HB2 PHE 42 HB2 PHE 42 3.852 11.141 -3.218 179 HB3 PHE 42 HB3 PHE 42 5.021 12.081 -2.315 180 HD1 PHE 42 HD1 PHE 42 7.441 12.245 -3.212 181 HD2 PHE 42 HD2 PHE 42 4.167 10.713 -5.561 182 HE1 PHE 42 HE1 PHE 42 8.789 12.533 -5.272 183 HE2 PHE 42 HE2 PHE 42 5.514 11.011 -7.621 184 HZ PHE 42 HZ PHE 42 7.838 11.893 -7.474 185 H THR 43 H THR 43 3.799 7.943 -1.576 186 HA THR 43 HA THR 43 4.094 6.533 -4.170 187 HB THR 43 HB THR 43 4.537 5.138 -1.498 188 HG1 THR 43 HG1 THR 43 6.686 5.008 -2.132 189 HG21 THR 43 HG21 THR 43 5.548 3.392 -3.130 190 HG22 THR 43 HG22 THR 43 4.708 4.267 -4.412 191 HG23 THR 43 HG23 THR 43 3.788 3.522 -3.068 192 H ARG 44 H ARG 44 2.453 4.799 -4.437 193 HA ARG 44 HA ARG 44 -0.172 5.586 -3.367 194 HB2 ARG 44 HB2 ARG 44 0.639 4.581 -5.809 195 HB3 ARG 44 HB3 ARG 44 0.146 3.093 -5.006 196 HG2 ARG 44 HG2 ARG 44 -1.745 3.851 -6.164 197 HG3 ARG 44 HG3 ARG 44 -2.062 4.307 -4.490 198 HD2 ARG 44 HD2 ARG 44 -1.129 6.624 -5.058 199 HD3 ARG 44 HD3 ARG 44 -0.993 6.080 -6.746 200 HE ARG 44 HE ARG 44 -3.609 5.636 -5.601 201 HH11 ARG 44 HH11 ARG 44 -1.768 8.126 -7.233 202 HH12 ARG 44 HH12 ARG 44 -3.197 9.013 -7.687 203 HH21 ARG 44 HH21 ARG 44 -5.329 6.753 -6.172 204 HH22 ARG 44 HH22 ARG 44 -5.225 8.228 -7.124 205 H TYR 45 H TYR 45 -1.552 4.309 -2.139 206 HA TYR 45 HA TYR 45 -0.298 2.039 -0.647 207 HB2 TYR 45 HB2 TYR 45 -1.888 4.259 0.647 208 HB3 TYR 45 HB3 TYR 45 -1.072 2.915 1.437 209 HD1 TYR 45 HD1 TYR 45 1.638 2.870 0.440 210 HD2 TYR 45 HD2 TYR 45 -0.881 6.252 1.272 211 HE1 TYR 45 HE1 TYR 45 3.659 4.293 0.785 212 HE2 TYR 45 HE2 TYR 45 1.135 7.685 1.572 213 HH TYR 45 HH TYR 45 3.422 7.753 1.637 214 H TYR 46 H TYR 46 -1.474 0.273 -0.689 215 HA TYR 46 HA TYR 46 -4.425 0.434 -1.252 216 HB2 TYR 46 HB2 TYR 46 -2.373 -1.667 -1.954 217 HB3 TYR 46 HB3 TYR 46 -4.097 -1.901 -2.124 218 HD1 TYR 46 HD1 TYR 46 -1.253 0.192 -3.357 219 HD2 TYR 46 HD2 TYR 46 -5.330 -1.077 -3.967 220 HE1 TYR 46 HE1 TYR 46 -1.265 1.302 -5.589 221 HE2 TYR 46 HE2 TYR 46 -5.343 0.041 -6.184 222 HH TYR 46 HH TYR 46 -2.587 2.005 -7.288 223 H CYS 47 H CYS 47 -5.727 -0.231 0.232 224 HA CYS 47 HA CYS 47 -4.896 -1.642 2.675 225 HB2 CYS 47 HB2 CYS 47 -6.664 0.051 2.829 226 HB3 CYS 47 HB3 CYS 47 -7.677 -0.906 1.734 227 H MET 48 H MET 48 -4.536 -3.717 2.735 228 HA MET 48 HA MET 48 -5.465 -5.549 0.617 229 HB2 MET 48 HB2 MET 48 -3.792 -6.005 3.125 230 HB3 MET 48 HB3 MET 48 -4.082 -7.198 1.846 231 HG2 MET 48 HG2 MET 48 -2.579 -4.574 1.541 232 HG3 MET 48 HG3 MET 48 -1.900 -6.196 1.582 233 HE1 MET 48 HE1 MET 48 -0.553 -5.960 -0.410 234 HE2 MET 48 HE2 MET 48 -1.365 -7.536 -0.606 235 HE3 MET 48 HE3 MET 48 -1.207 -6.438 -1.999 236 H GLY 49 H GLY 49 -6.678 -4.614 3.665 237 HA2 GLY 49 HA2 GLY 49 -8.989 -6.205 3.790 238 HA3 GLY 49 HA3 GLY 49 -7.709 -7.140 4.602 239 H ASN 50 H ASN 50 -6.265 -5.302 5.829 240 HA ASN 50 HA ASN 50 -7.983 -3.682 7.624 241 HB2 ASN 50 HB2 ASN 50 -6.549 -4.624 9.569 242 HB3 ASN 50 HB3 ASN 50 -7.894 -5.569 8.950 243 HD21 ASN 50 HD21 ASN 50 -7.276 -7.690 9.339 244 HD22 ASN 50 HD22 ASN 50 -5.749 -8.338 8.748 245 H CYS 51 H CYS 51 -4.584 -4.584 7.167 246 HA CYS 51 HA CYS 51 -3.687 -1.786 7.555 247 HB2 CYS 51 HB2 CYS 51 -2.511 -4.161 8.147 248 HB3 CYS 51 HB3 CYS 51 -1.840 -3.917 6.539 249 H CYS 52 H CYS 52 -2.149 -0.847 5.875 250 HA CYS 52 HA CYS 52 -2.761 -1.706 3.113 251 HB2 CYS 52 HB2 CYS 52 -2.391 0.770 2.495 252 HB3 CYS 52 HB3 CYS 52 -3.949 0.248 3.105 253 H LYS 53 H LYS 53 -1.218 -1.686 1.618 254 HA LYS 53 HA LYS 53 1.609 -1.591 2.620 255 HB2 LYS 53 HB2 LYS 53 0.618 -3.852 1.900 256 HB3 LYS 53 HB3 LYS 53 0.478 -3.184 0.298 257 HG2 LYS 53 HG2 LYS 53 2.871 -2.955 0.080 258 HG3 LYS 53 HG3 LYS 53 3.127 -3.248 1.808 259 HD2 LYS 53 HD2 LYS 53 2.608 -5.584 1.578 260 HD3 LYS 53 HD3 LYS 53 1.950 -5.346 -0.042 261 HE2 LYS 53 HE2 LYS 53 4.124 -6.358 -0.261 262 HE3 LYS 53 HE3 LYS 53 4.176 -4.714 -0.901 263 HZ1 LYS 53 HZ1 LYS 53 5.179 -5.524 1.783 264 HZ2 LYS 53 HZ2 LYS 53 5.260 -4.010 1.165 265 HZ3 LYS 53 HZ3 LYS 53 6.114 -5.217 0.484 266 H VAL 54 H VAL 54 3.190 -0.749 1.389 267 HA VAL 54 HA VAL 54 2.669 1.358 -0.538 268 HB VAL 54 HB VAL 54 4.473 1.423 1.140 269 HG11 VAL 54 HG11 VAL 54 6.566 0.268 0.870 270 HG12 VAL 54 HG12 VAL 54 5.288 -0.950 0.988 271 HG13 VAL 54 HG13 VAL 54 6.005 -0.554 -0.593 272 HG21 VAL 54 HG21 VAL 54 6.157 2.420 -0.286 273 HG22 VAL 54 HG22 VAL 54 5.496 1.586 -1.709 274 HG23 VAL 54 HG23 VAL 54 4.533 2.827 -0.862 275 H TYR 55 H TYR 55 2.497 1.271 -2.653 276 HA TYR 55 HA TYR 55 3.767 -0.935 -4.202 277 HB2 TYR 55 HB2 TYR 55 0.846 -0.185 -4.199 278 HB3 TYR 55 HB3 TYR 55 1.600 -0.737 -5.679 279 HD1 TYR 55 HD1 TYR 55 0.704 -1.789 -2.216 280 HD2 TYR 55 HD2 TYR 55 2.244 -3.021 -6.058 281 HE1 TYR 55 HE1 TYR 55 0.489 -4.182 -1.538 282 HE2 TYR 55 HE2 TYR 55 1.968 -5.396 -5.401 283 HH TYR 55 HH TYR 55 0.996 -6.368 -2.115 284 H GLU 56 H GLU 56 4.861 -0.252 -5.887 285 HA GLU 56 HA GLU 56 5.262 2.534 -6.460 286 HB2 GLU 56 HB2 GLU 56 6.133 0.038 -7.967 287 HB3 GLU 56 HB3 GLU 56 6.649 1.688 -8.340 288 HG2 GLU 56 HG2 GLU 56 7.587 1.877 -6.018 289 HG3 GLU 56 HG3 GLU 56 7.203 0.174 -5.752 290 H GLY 57 H GLY 57 3.499 3.624 -7.167 291 HA2 GLY 57 HA2 GLY 57 2.404 4.670 -8.958 292 HA3 GLY 57 HA3 GLY 57 2.755 3.294 -9.999 293 H CYS 58 H CYS 58 0.433 4.179 -10.447 294 HA CYS 58 HA CYS 58 -1.726 3.275 -8.741 295 HB2 CYS 58 HB2 CYS 58 -1.725 4.291 -11.604 296 HB3 CYS 58 HB3 CYS 58 -3.159 4.041 -10.600 297 HG CYS 58 HG CYS 58 -2.613 6.613 -10.720 298 H TYR 59 H TYR 59 -0.864 1.039 -8.582 299 HA TYR 59 HA TYR 59 -0.868 -0.961 -10.471 300 HB2 TYR 59 HB2 TYR 59 -0.275 -1.120 -8.046 301 HB3 TYR 59 HB3 TYR 59 -1.984 -1.181 -7.647 302 HD1 TYR 59 HD2 TYR 59 -3.361 -3.177 -8.250 303 HD2 TYR 59 HD1 TYR 59 0.890 -3.029 -8.987 304 HE1 TYR 59 HE2 TYR 59 -3.335 -5.636 -8.610 305 HE2 TYR 59 HE1 TYR 59 0.917 -5.493 -9.317 306 HH TYR 59 HH TYR 59 -0.323 -7.412 -9.411 307 H THR 60 H THR 60 -3.783 0.066 -8.684 308 HA THR 60 HA THR 60 -5.450 -0.535 -11.051 309 HB THR 60 HB THR 60 -5.355 -2.658 -9.789 310 HG1 THR 60 HG1 THR 60 -7.853 -1.371 -10.042 311 HG21 THR 60 HG21 THR 60 -5.351 -1.888 -7.476 312 HG22 THR 60 HG22 THR 60 -6.720 -2.960 -7.782 313 HG23 THR 60 HG23 THR 60 -6.990 -1.211 -7.667 314 H GLY 61 H GLY 61 -4.792 1.658 -8.692 315 HA2 GLY 61 HA2 GLY 61 -5.832 3.821 -8.973 316 HA3 GLY 61 HA3 GLY 61 -7.397 3.062 -9.186 317 H GLY 62 H GLY 62 -5.090 2.334 -6.577 318 HA2 GLY 62 HA2 GLY 62 -7.090 2.736 -4.487 319 HA3 GLY 62 HA3 GLY 62 -5.425 2.200 -4.278 320 H TYR 63 H TYR 63 -5.853 3.641 -2.338 321 HA TYR 63 HA TYR 63 -6.193 6.439 -2.551 322 HB2 TYR 63 HB2 TYR 63 -4.912 4.870 -0.292 323 HB3 TYR 63 HB3 TYR 63 -5.614 6.470 -0.171 324 HD1 TYR 63 HD1 TYR 63 -8.130 6.768 -0.597 325 HD2 TYR 63 HD2 TYR 63 -6.275 2.911 -0.028 326 HE1 TYR 63 HE1 TYR 63 -10.348 5.779 -0.020 327 HE2 TYR 63 HE2 TYR 63 -8.497 1.930 0.535 328 HH TYR 63 HH TYR 63 -10.748 2.304 0.718 329 H SER 64 H SER 64 -4.871 8.176 -2.281 330 HA SER 64 HA SER 64 -1.988 7.878 -2.976 331 HB2 SER 64 HB2 SER 64 -3.596 9.269 -4.348 332 HB3 SER 64 HB3 SER 64 -3.718 10.374 -2.974 333 HG SER 64 HG SER 64 -1.372 9.703 -4.470 334 H ARG 65 H ARG 65 -3.774 8.281 -0.160 335 HA ARG 65 HA ARG 65 -1.409 9.344 1.308 336 HB2 ARG 65 HB2 ARG 65 -4.291 10.301 1.653 337 HB3 ARG 65 HB3 ARG 65 -3.015 10.617 2.823 338 HG2 ARG 65 HG2 ARG 65 -2.969 11.568 -0.075 339 HG3 ARG 65 HG3 ARG 65 -3.441 12.538 1.319 340 HD2 ARG 65 HD2 ARG 65 -1.214 12.264 2.326 341 HD3 ARG 65 HD3 ARG 65 -0.681 11.273 0.973 342 HE ARG 65 HE ARG 65 -0.994 14.182 1.013 343 HH11 ARG 65 HH11 ARG 65 -0.673 11.426 -1.179 344 HH12 ARG 65 HH12 ARG 65 -0.116 12.444 -2.470 345 HH21 ARG 65 HH21 ARG 65 -0.239 15.376 -0.678 346 HH22 ARG 65 HH22 ARG 65 0.161 14.603 -2.183 347 H MET 66 H MET 66 -0.957 8.436 3.179 348 HA MET 66 HA MET 66 -2.064 5.839 3.650 349 HB2 MET 66 HB2 MET 66 0.293 6.443 4.005 350 HB3 MET 66 HB3 MET 66 -0.159 7.429 5.393 351 HG2 MET 66 HG2 MET 66 -0.950 5.487 6.593 352 HG3 MET 66 HG3 MET 66 -0.841 4.468 5.163 353 HE1 MET 66 HE1 MET 66 1.896 4.800 3.835 354 HE2 MET 66 HE2 MET 66 2.867 3.633 4.752 355 HE3 MET 66 HE3 MET 66 1.188 3.244 4.321 356 H GLY 67 H GLY 67 -2.791 8.974 5.053 357 HA2 GLY 67 HA2 GLY 67 -4.359 8.160 7.308 358 HA3 GLY 67 HA3 GLY 67 -4.598 9.637 6.367 359 H GLU 68 H GLU 68 -5.221 8.493 3.866 360 HA GLU 68 HA GLU 68 -8.017 7.766 4.233 361 HB2 GLU 68 HB2 GLU 68 -6.303 7.884 1.729 362 HB3 GLU 68 HB3 GLU 68 -8.028 7.537 1.751 363 HG2 GLU 68 HG2 GLU 68 -6.703 10.115 2.668 364 HG3 GLU 68 HG3 GLU 68 -7.630 9.877 1.191 365 H CYS 69 H CYS 69 -5.144 5.851 3.143 366 HA CYS 69 HA CYS 69 -6.762 3.483 2.746 367 HB2 CYS 69 HB2 CYS 69 -4.825 2.307 2.308 368 HB3 CYS 69 HB3 CYS 69 -4.553 3.920 1.694 369 H ALA 70 H ALA 70 -5.450 4.893 5.613 370 HA ALA 70 HA ALA 70 -5.992 2.580 7.332 371 HB1 ALA 70 HB1 ALA 70 -4.187 4.154 7.873 372 HB2 ALA 70 HB2 ALA 70 -5.332 5.507 7.921 373 HB3 ALA 70 HB3 ALA 70 -5.441 4.205 9.131 374 H ARG 71 H ARG 71 -7.478 5.928 7.228 375 HA ARG 71 HA ARG 71 -9.503 5.271 9.030 376 HB2 ARG 71 HB2 ARG 71 -10.293 7.434 8.693 377 HB3 ARG 71 HB3 ARG 71 -8.584 7.538 8.278 378 HG2 ARG 71 HG2 ARG 71 -9.519 7.074 5.803 379 HG3 ARG 71 HG3 ARG 71 -11.028 7.658 6.500 380 HD2 ARG 71 HD2 ARG 71 -8.439 9.112 5.988 381 HD3 ARG 71 HD3 ARG 71 -10.091 9.518 5.500 382 HE ARG 71 HE ARG 71 -9.660 9.594 8.379 383 HH11 ARG 71 HH11 ARG 71 -9.167 11.486 5.450 384 HH12 ARG 71 HH12 ARG 71 -9.182 13.000 6.325 385 HH21 ARG 71 HH21 ARG 71 -9.715 11.585 9.419 386 HH22 ARG 71 HH22 ARG 71 -9.463 13.044 8.510 387 H ASN 72 H ASN 72 -9.608 4.728 5.589 388 HA ASN 72 HA ASN 72 -12.514 4.159 5.567 389 HB2 ASN 72 HB2 ASN 72 -10.381 3.931 3.403 390 HB3 ASN 72 HB3 ASN 72 -12.101 3.645 3.170 391 HD21 ASN 72 HD21 ASN 72 -9.686 6.008 3.221 392 HD22 ASN 72 HD22 ASN 72 -10.697 7.442 3.028 393 H CYS 73 H CYS 73 -9.883 2.408 6.654 394 HA CYS 73 HA CYS 73 -11.166 -0.229 6.122 395 HB2 CYS 73 HB2 CYS 73 -8.426 0.748 5.633 396 HB3 CYS 73 HB3 CYS 73 -8.462 -0.714 6.583 397 HA PRO 74 HA PRO 74 -11.307 -0.855 10.430 398 HB2 PRO 74 HB2 PRO 74 -11.042 -3.535 10.794 399 HB3 PRO 74 HB3 PRO 74 -12.393 -2.811 9.869 400 HG2 PRO 74 HG2 PRO 74 -9.818 -3.989 8.801 401 HG3 PRO 74 HG3 PRO 74 -11.490 -4.336 8.263 402 HD2 PRO 74 HD2 PRO 74 -9.904 -2.527 6.970 403 HD3 PRO 74 HD3 PRO 74 -11.665 -2.278 7.140 404 H GLY 75 H GLY 75 -8.249 -1.313 9.050 405 HA2 GLY 75 HA2 GLY 75 -6.854 -1.731 11.694 406 HA3 GLY 75 HA3 GLY 75 -6.207 -2.232 10.141 Start of MODEL 20 1 H1 GLY 19 H1 GLY 19 18.500 -9.152 13.680 2 H2 GLY 19 H2 GLY 19 17.671 -10.559 13.829 3 H3 GLY 19 H3 GLY 19 17.205 -9.445 12.722 4 HA2 GLY 19 HA2 GLY 19 17.140 -9.061 15.645 5 HA3 GLY 19 HA3 GLY 19 16.595 -7.882 14.441 6 H ASP 20 H ASP 20 14.425 -7.797 14.466 7 HA ASP 20 HA ASP 20 12.786 -10.263 14.324 8 HB2 ASP 20 HB2 ASP 20 11.325 -9.474 16.136 9 HB3 ASP 20 HB3 ASP 20 12.953 -9.807 16.701 10 H LYS 21 H LYS 21 10.481 -9.764 13.941 11 HA LYS 21 HA LYS 21 9.920 -7.269 12.398 12 HB2 LYS 21 HB2 LYS 21 9.432 -10.094 11.351 13 HB3 LYS 21 HB3 LYS 21 8.747 -8.623 10.683 14 HG2 LYS 21 HG2 LYS 21 10.460 -8.853 9.258 15 HG3 LYS 21 HG3 LYS 21 11.259 -7.836 10.455 16 HD2 LYS 21 HD2 LYS 21 12.361 -9.860 11.413 17 HD3 LYS 21 HD3 LYS 21 11.451 -10.889 10.289 18 HE2 LYS 21 HE2 LYS 21 12.512 -9.719 8.370 19 HE3 LYS 21 HE3 LYS 21 13.433 -8.709 9.491 20 HZ1 LYS 21 HZ1 LYS 21 14.513 -10.736 10.319 21 HZ2 LYS 21 HZ2 LYS 21 14.739 -10.607 8.709 22 HZ3 LYS 21 HZ3 LYS 21 13.649 -11.670 9.292 23 H GLU 22 H GLU 22 8.735 -6.599 14.187 24 HA GLU 22 HA GLU 22 6.281 -8.055 14.981 25 HB2 GLU 22 HB2 GLU 22 7.414 -5.371 15.852 26 HB3 GLU 22 HB3 GLU 22 5.942 -6.112 16.494 27 HG2 GLU 22 HG2 GLU 22 7.301 -8.138 17.137 28 HG3 GLU 22 HG3 GLU 22 8.755 -7.236 16.718 29 H GLU 23 H GLU 23 6.900 -6.319 12.266 30 HA GLU 23 HA GLU 23 4.712 -4.514 11.996 31 HB2 GLU 23 HB2 GLU 23 6.363 -6.084 9.969 32 HB3 GLU 23 HB3 GLU 23 5.199 -4.844 9.519 33 HG2 GLU 23 HG2 GLU 23 7.658 -4.368 11.259 34 HG3 GLU 23 HG3 GLU 23 7.543 -4.035 9.537 35 H CYS 24 H CYS 24 2.974 -4.698 10.523 36 HA CYS 24 HA CYS 24 1.129 -6.768 11.159 37 HB2 CYS 24 HB2 CYS 24 0.592 -4.390 10.528 38 HB3 CYS 24 HB3 CYS 24 0.973 -4.803 8.852 39 H THR 25 H THR 25 1.005 -8.808 10.416 40 HA THR 25 HA THR 25 2.292 -9.836 8.062 41 HB THR 25 HB THR 25 -0.006 -11.131 9.582 42 HG1 THR 25 HG1 THR 25 2.752 -11.085 10.261 43 HG21 THR 25 HG21 THR 25 0.748 -12.463 7.670 44 HG22 THR 25 HG22 THR 25 1.314 -13.217 9.158 45 HG23 THR 25 HG23 THR 25 2.449 -12.278 8.166 46 H VAL 26 H VAL 26 1.255 -10.785 6.229 47 HA VAL 26 HA VAL 26 -1.070 -9.194 5.248 48 HB VAL 26 HB VAL 26 1.000 -10.571 3.542 49 HG11 VAL 26 HG11 VAL 26 -1.085 -9.841 2.407 50 HG12 VAL 26 HG12 VAL 26 -0.777 -8.185 2.977 51 HG13 VAL 26 HG13 VAL 26 0.339 -8.972 1.840 52 HG21 VAL 26 HG21 VAL 26 2.095 -8.329 3.283 53 HG22 VAL 26 HG22 VAL 26 1.071 -7.710 4.599 54 HG23 VAL 26 HG23 VAL 26 2.278 -8.980 4.909 55 HA PRO 27 HA PRO 27 -3.258 -13.121 4.966 56 HB2 PRO 27 HB2 PRO 27 -5.545 -12.342 3.713 57 HB3 PRO 27 HB3 PRO 27 -5.119 -11.753 5.349 58 HG2 PRO 27 HG2 PRO 27 -4.586 -10.371 2.688 59 HG3 PRO 27 HG3 PRO 27 -5.423 -9.697 4.126 60 HD2 PRO 27 HD2 PRO 27 -2.770 -9.269 3.692 61 HD3 PRO 27 HD3 PRO 27 -3.379 -9.562 5.344 62 H ILE 28 H ILE 28 -4.234 -14.617 3.411 63 HA ILE 28 HA ILE 28 -2.643 -15.157 1.110 64 HB ILE 28 HB ILE 28 -5.417 -16.222 1.786 65 HG12 ILE 28 HG12 ILE 28 -2.674 -17.364 2.514 66 HG13 ILE 28 HG13 ILE 28 -3.761 -16.558 3.640 67 HG21 ILE 28 HG21 ILE 28 -4.768 -18.178 0.395 68 HG22 ILE 28 HG22 ILE 28 -4.777 -16.717 -0.558 69 HG23 ILE 28 HG23 ILE 28 -3.227 -17.391 -0.000 70 HD11 ILE 28 HD11 ILE 28 -4.249 -19.228 2.298 71 HD12 ILE 28 HD12 ILE 28 -4.011 -18.878 4.013 72 HD13 ILE 28 HD13 ILE 28 -5.492 -18.326 3.204 73 H GLY 29 H GLY 29 -2.946 -14.836 -1.070 74 HA2 GLY 29 HA2 GLY 29 -3.920 -14.095 -3.065 75 HA3 GLY 29 HA3 GLY 29 -5.367 -13.612 -2.189 76 H TRP 30 H TRP 30 -2.220 -12.439 -1.186 77 HA TRP 30 HA TRP 30 -2.918 -9.698 -1.260 78 HB2 TRP 30 HB2 TRP 30 -0.556 -9.361 -0.604 79 HB3 TRP 30 HB3 TRP 30 -1.379 -10.601 0.301 80 HD1 TRP 30 HD1 TRP 30 0.642 -10.967 -3.030 81 HE1 TRP 30 HE1 TRP 30 2.424 -12.778 -2.680 82 HE3 TRP 30 HE3 TRP 30 -0.176 -11.929 1.885 83 HZ2 TRP 30 HZ2 TRP 30 3.372 -14.453 -0.526 84 HZ3 TRP 30 HZ3 TRP 30 1.185 -13.649 3.108 85 HH2 TRP 30 HH2 TRP 30 2.956 -14.912 1.899 86 H SER 31 H SER 31 -1.331 -8.105 -2.069 87 HA SER 31 HA SER 31 -0.478 -8.371 -4.914 88 HB2 SER 31 HB2 SER 31 -2.332 -6.182 -3.903 89 HB3 SER 31 HB3 SER 31 -1.534 -6.218 -5.489 90 HG SER 31 HG SER 31 -3.675 -7.014 -5.590 91 H GLU 32 H GLU 32 1.466 -8.525 -3.436 92 HA GLU 32 HA GLU 32 2.529 -6.199 -2.131 93 HB2 GLU 32 HB2 GLU 32 4.719 -7.521 -2.283 94 HB3 GLU 32 HB3 GLU 32 3.381 -8.192 -1.379 95 HG2 GLU 32 HG2 GLU 32 4.487 -9.944 -2.564 96 HG3 GLU 32 HG3 GLU 32 2.861 -9.761 -3.187 97 HA PRO 33 HA PRO 33 4.004 -3.715 -5.376 98 HB2 PRO 33 HB2 PRO 33 6.138 -2.377 -4.335 99 HB3 PRO 33 HB3 PRO 33 4.470 -2.193 -3.724 100 HG2 PRO 33 HG2 PRO 33 6.645 -4.027 -2.633 101 HG3 PRO 33 HG3 PRO 33 5.676 -2.834 -1.724 102 HD2 PRO 33 HD2 PRO 33 4.956 -5.423 -1.786 103 HD3 PRO 33 HD3 PRO 33 3.708 -4.152 -1.916 104 H VAL 34 H VAL 34 4.582 -5.133 -7.024 105 HA VAL 34 HA VAL 34 7.035 -6.544 -7.317 106 HB VAL 34 HB VAL 34 5.325 -5.387 -9.555 107 HG11 VAL 34 HG11 VAL 34 7.265 -7.743 -9.517 108 HG12 VAL 34 HG12 VAL 34 6.208 -7.298 -10.874 109 HG13 VAL 34 HG13 VAL 34 7.502 -6.207 -10.381 110 HG21 VAL 34 HG21 VAL 34 3.919 -6.772 -8.089 111 HG22 VAL 34 HG22 VAL 34 4.239 -7.627 -9.596 112 HG23 VAL 34 HG23 VAL 34 5.128 -8.072 -8.122 113 H LYS 35 H LYS 35 6.169 -3.299 -8.364 114 HA LYS 35 HA LYS 35 8.852 -2.550 -9.309 115 HB2 LYS 35 HB2 LYS 35 6.197 -1.116 -8.989 116 HB3 LYS 35 HB3 LYS 35 7.681 -0.210 -9.316 117 HG2 LYS 35 HG2 LYS 35 8.129 -1.733 -11.280 118 HG3 LYS 35 HG3 LYS 35 6.502 -2.404 -11.067 119 HD2 LYS 35 HD2 LYS 35 5.509 -0.194 -11.490 120 HD3 LYS 35 HD3 LYS 35 7.124 0.556 -11.518 121 HE2 LYS 35 HE2 LYS 35 7.747 -0.904 -13.450 122 HE3 LYS 35 HE3 LYS 35 6.104 -1.555 -13.472 123 HZ1 LYS 35 HZ1 LYS 35 6.378 0.254 -15.072 124 HZ2 LYS 35 HZ2 LYS 35 6.817 1.302 -13.906 125 HZ3 LYS 35 HZ3 LYS 35 5.295 0.701 -13.939 126 H GLY 36 H GLY 36 7.967 -3.076 -6.211 127 HA2 GLY 36 HA2 GLY 36 8.818 -0.770 -4.787 128 HA3 GLY 36 HA3 GLY 36 8.818 -2.421 -4.169 129 H LEU 37 H LEU 37 10.781 -2.902 -6.619 130 HA LEU 37 HA LEU 37 13.356 -2.471 -5.348 131 HB2 LEU 37 HB2 LEU 37 12.512 -3.111 -8.208 132 HB3 LEU 37 HB3 LEU 37 14.187 -3.089 -7.674 133 HG LEU 37 HG LEU 37 12.093 -4.936 -6.442 134 HD11 LEU 37 HD11 LEU 37 13.074 -6.704 -7.848 135 HD12 LEU 37 HD12 LEU 37 14.100 -5.500 -8.664 136 HD13 LEU 37 HD13 LEU 37 12.330 -5.436 -8.832 137 HD21 LEU 37 HD21 LEU 37 15.148 -4.981 -6.414 138 HD22 LEU 37 HD22 LEU 37 14.081 -6.207 -5.696 139 HD23 LEU 37 HD23 LEU 37 14.101 -4.567 -5.037 140 H CYS 38 H CYS 38 11.338 -0.476 -7.397 141 HA CYS 38 HA CYS 38 13.451 1.357 -8.261 142 HB2 CYS 38 HB2 CYS 38 11.305 0.718 -9.522 143 HB3 CYS 38 HB3 CYS 38 10.424 1.716 -8.359 144 HG CYS 38 HG CYS 38 12.880 2.534 -10.458 145 H LYS 39 H LYS 39 13.201 3.705 -7.821 146 HA LYS 39 HA LYS 39 12.545 4.343 -4.953 147 HB2 LYS 39 HB2 LYS 39 14.862 5.377 -6.628 148 HB3 LYS 39 HB3 LYS 39 14.468 5.897 -4.992 149 HG2 LYS 39 HG2 LYS 39 15.300 3.067 -5.784 150 HG3 LYS 39 HG3 LYS 39 16.348 4.303 -5.092 151 HD2 LYS 39 HD2 LYS 39 14.961 4.340 -3.019 152 HD3 LYS 39 HD3 LYS 39 13.897 3.114 -3.716 153 HE2 LYS 39 HE2 LYS 39 15.367 1.991 -2.227 154 HE3 LYS 39 HE3 LYS 39 15.801 1.528 -3.874 155 HZ1 LYS 39 HZ1 LYS 39 17.759 2.044 -2.511 156 HZ2 LYS 39 HZ2 LYS 39 17.235 3.564 -2.242 157 HZ3 LYS 39 HZ3 LYS 39 17.666 3.098 -3.751 158 H ALA 40 H ALA 40 10.461 4.742 -5.928 159 HA ALA 40 HA ALA 40 9.930 6.996 -7.627 160 HB1 ALA 40 HB1 ALA 40 8.320 5.174 -7.284 161 HB2 ALA 40 HB2 ALA 40 8.178 5.589 -5.557 162 HB3 ALA 40 HB3 ALA 40 7.599 6.717 -6.795 163 H ARG 41 H ARG 41 8.887 8.960 -7.067 164 HA ARG 41 HA ARG 41 10.074 10.328 -4.711 165 HB2 ARG 41 HB2 ARG 41 9.823 12.352 -5.937 166 HB3 ARG 41 HB3 ARG 41 10.502 11.129 -7.001 167 HG2 ARG 41 HG2 ARG 41 8.064 10.770 -7.857 168 HG3 ARG 41 HG3 ARG 41 7.675 12.256 -6.984 169 HD2 ARG 41 HD2 ARG 41 8.109 12.939 -9.214 170 HD3 ARG 41 HD3 ARG 41 9.549 13.384 -8.308 171 HE ARG 41 HE ARG 41 10.802 11.788 -9.478 172 HH11 ARG 41 HH11 ARG 41 7.447 11.308 -10.346 173 HH12 ARG 41 HH12 ARG 41 7.839 10.168 -11.604 174 HH21 ARG 41 HH21 ARG 41 11.238 10.329 -11.085 175 HH22 ARG 41 HH22 ARG 41 9.936 9.638 -12.005 176 H PHE 42 H PHE 42 7.415 8.700 -4.809 177 HA PHE 42 HA PHE 42 5.753 10.538 -3.194 178 HB2 PHE 42 HB2 PHE 42 3.741 9.687 -4.384 179 HB3 PHE 42 HB3 PHE 42 4.769 10.727 -5.345 180 HD1 PHE 42 HD2 PHE 42 3.502 7.262 -4.957 181 HD2 PHE 42 HD1 PHE 42 5.989 9.885 -7.299 182 HE1 PHE 42 HE2 PHE 42 3.625 5.550 -6.736 183 HE2 PHE 42 HE1 PHE 42 6.101 8.174 -9.095 184 HZ PHE 42 HZ PHE 42 4.936 5.999 -8.809 185 H THR 43 H THR 43 5.547 9.617 -1.295 186 HA THR 43 HA THR 43 5.679 6.727 -0.838 187 HB THR 43 HB THR 43 4.336 8.418 1.245 188 HG1 THR 43 HG1 THR 43 5.947 9.839 0.972 189 HG21 THR 43 HG21 THR 43 4.817 6.078 1.626 190 HG22 THR 43 HG22 THR 43 5.825 7.068 2.690 191 HG23 THR 43 HG23 THR 43 6.541 6.309 1.247 192 H ARG 44 H ARG 44 3.987 5.260 -0.644 193 HA ARG 44 HA ARG 44 1.185 6.218 -0.781 194 HB2 ARG 44 HB2 ARG 44 2.704 5.348 -3.006 195 HB3 ARG 44 HB3 ARG 44 1.840 3.914 -2.518 196 HG2 ARG 44 HG2 ARG 44 0.640 5.068 -4.172 197 HG3 ARG 44 HG3 ARG 44 -0.312 5.207 -2.684 198 HD2 ARG 44 HD2 ARG 44 0.232 7.533 -2.485 199 HD3 ARG 44 HD3 ARG 44 1.637 7.370 -3.557 200 HE ARG 44 HE ARG 44 -0.803 6.666 -4.912 201 HH11 ARG 44 HH11 ARG 44 1.011 9.501 -3.987 202 HH12 ARG 44 HH12 ARG 44 0.503 10.413 -5.384 203 HH21 ARG 44 HH21 ARG 44 -1.430 7.868 -6.676 204 HH22 ARG 44 HH22 ARG 44 -0.874 9.503 -6.856 205 H TYR 45 H TYR 45 -0.395 4.634 -0.284 206 HA TYR 45 HA TYR 45 0.516 2.587 1.689 207 HB2 TYR 45 HB2 TYR 45 -1.574 4.680 2.328 208 HB3 TYR 45 HB3 TYR 45 -0.736 3.603 3.429 209 HD1 TYR 45 HD1 TYR 45 1.966 3.984 3.476 210 HD2 TYR 45 HD2 TYR 45 -0.931 6.932 2.257 211 HE1 TYR 45 HE1 TYR 45 3.587 5.806 3.992 212 HE2 TYR 45 HE2 TYR 45 0.689 8.736 2.748 213 HH TYR 45 HH TYR 45 2.757 9.260 3.568 214 H TYR 46 H TYR 46 -0.726 0.781 1.739 215 HA TYR 46 HA TYR 46 -3.369 0.729 0.314 216 HB2 TYR 46 HB2 TYR 46 -1.088 -1.217 -0.131 217 HB3 TYR 46 HB3 TYR 46 -2.635 -1.207 -0.945 218 HD1 TYR 46 HD1 TYR 46 0.663 0.480 -0.672 219 HD2 TYR 46 HD2 TYR 46 -3.080 0.289 -2.794 220 HE1 TYR 46 HE1 TYR 46 1.682 1.705 -2.601 221 HE2 TYR 46 HE2 TYR 46 -2.096 1.694 -4.629 222 HH TYR 46 HH TYR 46 -0.134 2.489 -5.484 223 H CYS 47 H CYS 47 -4.897 -0.481 1.368 224 HA CYS 47 HA CYS 47 -4.130 -1.850 3.829 225 HB2 CYS 47 HB2 CYS 47 -6.250 -0.525 3.657 226 HB3 CYS 47 HB3 CYS 47 -6.887 -1.798 2.604 227 H MET 48 H MET 48 -3.464 -3.853 4.001 228 HA MET 48 HA MET 48 -4.742 -6.006 2.413 229 HB2 MET 48 HB2 MET 48 -1.722 -5.761 2.731 230 HB3 MET 48 HB3 MET 48 -2.623 -7.166 2.145 231 HG2 MET 48 HG2 MET 48 -3.612 -5.474 0.403 232 HG3 MET 48 HG3 MET 48 -2.174 -4.526 0.779 233 HE1 MET 48 HE1 MET 48 0.665 -7.137 -0.343 234 HE2 MET 48 HE2 MET 48 0.407 -5.413 -0.018 235 HE3 MET 48 HE3 MET 48 0.083 -6.615 1.252 236 H GLY 49 H GLY 49 -5.967 -6.388 4.244 237 HA2 GLY 49 HA2 GLY 49 -6.414 -7.959 5.945 238 HA3 GLY 49 HA3 GLY 49 -4.692 -8.164 6.235 239 H ASN 50 H ASN 50 -7.259 -5.738 6.582 240 HA ASN 50 HA ASN 50 -7.902 -4.302 8.156 241 HB2 ASN 50 HB2 ASN 50 -6.348 -5.919 10.181 242 HB3 ASN 50 HB3 ASN 50 -7.801 -4.956 10.426 243 HD21 ASN 50 HD21 ASN 50 -7.192 -7.903 10.923 244 HD22 ASN 50 HD22 ASN 50 -8.517 -8.703 10.083 245 H CYS 51 H CYS 51 -4.701 -4.293 7.342 246 HA CYS 51 HA CYS 51 -4.167 -1.693 8.694 247 HB2 CYS 51 HB2 CYS 51 -1.884 -2.448 9.149 248 HB3 CYS 51 HB3 CYS 51 -3.040 -3.549 9.895 249 H CYS 52 H CYS 52 -2.851 -0.257 7.458 250 HA CYS 52 HA CYS 52 -2.171 -1.140 4.707 251 HB2 CYS 52 HB2 CYS 52 -2.500 1.187 3.936 252 HB3 CYS 52 HB3 CYS 52 -3.937 0.246 4.268 253 H LYS 53 H LYS 53 -0.194 -1.723 4.991 254 HA LYS 53 HA LYS 53 1.895 -0.052 6.167 255 HB2 LYS 53 HB2 LYS 53 1.721 -2.727 4.834 256 HB3 LYS 53 HB3 LYS 53 3.214 -1.853 4.512 257 HG2 LYS 53 HG2 LYS 53 3.644 -1.532 6.891 258 HG3 LYS 53 HG3 LYS 53 2.087 -2.237 7.301 259 HD2 LYS 53 HD2 LYS 53 3.836 -3.852 7.720 260 HD3 LYS 53 HD3 LYS 53 2.846 -4.434 6.374 261 HE2 LYS 53 HE2 LYS 53 4.528 -3.695 4.755 262 HE3 LYS 53 HE3 LYS 53 5.464 -2.896 6.023 263 HZ1 LYS 53 HZ1 LYS 53 5.006 -5.832 5.874 264 HZ2 LYS 53 HZ2 LYS 53 5.915 -5.067 6.998 265 HZ3 LYS 53 HZ3 LYS 53 6.387 -5.077 5.440 266 H VAL 54 H VAL 54 3.778 0.461 4.950 267 HA VAL 54 HA VAL 54 3.138 2.132 2.574 268 HB VAL 54 HB VAL 54 4.205 3.311 4.385 269 HG11 VAL 54 HG11 VAL 54 6.608 1.463 4.119 270 HG12 VAL 54 HG12 VAL 54 6.487 2.907 5.140 271 HG13 VAL 54 HG13 VAL 54 5.478 1.500 5.493 272 HG21 VAL 54 HG21 VAL 54 6.256 2.956 2.164 273 HG22 VAL 54 HG22 VAL 54 4.754 3.893 2.017 274 HG23 VAL 54 HG23 VAL 54 5.995 4.373 3.196 275 H TYR 55 H TYR 55 3.744 1.773 0.653 276 HA TYR 55 HA TYR 55 5.702 -0.380 -0.030 277 HB2 TYR 55 HB2 TYR 55 2.908 -0.052 -1.167 278 HB3 TYR 55 HB3 TYR 55 4.100 -1.187 -1.738 279 HD1 TYR 55 HD1 TYR 55 5.085 -2.205 1.048 280 HD2 TYR 55 HD2 TYR 55 1.185 -1.594 -0.656 281 HE1 TYR 55 HE1 TYR 55 4.146 -3.912 2.581 282 HE2 TYR 55 HE2 TYR 55 0.224 -3.244 0.945 283 HH TYR 55 HH TYR 55 2.276 -5.074 3.227 284 H GLU 56 H GLU 56 7.235 0.528 -1.203 285 HA GLU 56 HA GLU 56 6.910 2.996 -2.718 286 HB2 GLU 56 HB2 GLU 56 9.190 0.975 -2.564 287 HB3 GLU 56 HB3 GLU 56 9.266 2.512 -3.432 288 HG2 GLU 56 HG2 GLU 56 8.780 3.731 -1.305 289 HG3 GLU 56 HG3 GLU 56 8.824 2.199 -0.435 290 H GLY 57 H GLY 57 7.699 3.103 -5.026 291 HA2 GLY 57 HA2 GLY 57 7.685 2.431 -7.273 292 HA3 GLY 57 HA3 GLY 57 7.035 0.856 -6.820 293 H CYS 58 H CYS 58 6.021 2.087 -9.005 294 HA CYS 58 HA CYS 58 3.630 3.659 -8.355 295 HB2 CYS 58 HB2 CYS 58 5.169 4.021 -10.348 296 HB3 CYS 58 HB3 CYS 58 4.457 2.574 -11.071 297 HG CYS 58 HG CYS 58 3.002 5.387 -10.020 298 H TYR 59 H TYR 59 2.775 1.843 -6.940 299 HA TYR 59 HA TYR 59 1.311 -0.216 -8.471 300 HB2 TYR 59 HB2 TYR 59 2.181 -0.800 -6.226 301 HB3 TYR 59 HB3 TYR 59 1.188 0.412 -5.521 302 HD1 TYR 59 HD1 TYR 59 -0.211 -1.657 -8.345 303 HD2 TYR 59 HD2 TYR 59 0.127 -1.202 -4.046 304 HE1 TYR 59 HE1 TYR 59 -2.097 -3.196 -8.028 305 HE2 TYR 59 HE2 TYR 59 -1.759 -2.789 -3.750 306 HH TYR 59 HH TYR 59 -3.436 -3.957 -4.809 307 H THR 60 H THR 60 0.268 1.329 -9.867 308 HA THR 60 HA THR 60 -1.512 3.311 -9.369 309 HB THR 60 HB THR 60 -2.041 1.039 -11.311 310 HG1 THR 60 HG1 THR 60 -0.744 2.292 -12.711 311 HG21 THR 60 HG21 THR 60 -2.934 2.860 -12.783 312 HG22 THR 60 HG22 THR 60 -2.723 4.020 -11.453 313 HG23 THR 60 HG23 THR 60 -3.889 2.684 -11.310 314 H GLY 61 H GLY 61 -2.295 -0.097 -8.764 315 HA2 GLY 61 HA2 GLY 61 -5.170 0.282 -8.588 316 HA3 GLY 61 HA3 GLY 61 -4.267 -1.191 -8.266 317 H GLY 62 H GLY 62 -4.975 2.006 -6.798 318 HA2 GLY 62 HA2 GLY 62 -6.247 0.903 -4.526 319 HA3 GLY 62 HA3 GLY 62 -4.582 1.199 -4.047 320 H TYR 63 H TYR 63 -4.164 3.128 -3.176 321 HA TYR 63 HA TYR 63 -6.072 5.397 -3.557 322 HB2 TYR 63 HB2 TYR 63 -4.861 4.574 -0.904 323 HB3 TYR 63 HB3 TYR 63 -6.138 5.741 -1.197 324 HD1 TYR 63 HD2 TYR 63 -8.355 4.779 -2.325 325 HD2 TYR 63 HD1 TYR 63 -5.434 2.413 -0.210 326 HE1 TYR 63 HE2 TYR 63 -10.050 2.988 -1.990 327 HE2 TYR 63 HE1 TYR 63 -7.153 0.622 0.140 328 HH TYR 63 HH TYR 63 -10.431 0.853 -1.246 329 H SER 64 H SER 64 -5.198 7.420 -2.445 330 HA SER 64 HA SER 64 -2.259 7.776 -2.909 331 HB2 SER 64 HB2 SER 64 -2.751 10.034 -3.714 332 HB3 SER 64 HB3 SER 64 -3.519 8.794 -4.710 333 HG SER 64 HG SER 64 -5.470 9.375 -3.998 334 H ARG 65 H ARG 65 -4.477 7.775 -0.464 335 HA ARG 65 HA ARG 65 -2.781 9.468 1.298 336 HB2 ARG 65 HB2 ARG 65 -5.753 9.779 0.744 337 HB3 ARG 65 HB3 ARG 65 -5.135 10.182 2.334 338 HG2 ARG 65 HG2 ARG 65 -4.131 11.464 -0.245 339 HG3 ARG 65 HG3 ARG 65 -5.374 12.127 0.825 340 HD2 ARG 65 HD2 ARG 65 -3.681 11.998 2.722 341 HD3 ARG 65 HD3 ARG 65 -2.444 11.656 1.493 342 HE ARG 65 HE ARG 65 -3.796 13.982 0.655 343 HH11 ARG 65 HH11 ARG 65 -1.765 13.117 3.369 344 HH12 ARG 65 HH12 ARG 65 -1.269 14.764 3.644 345 HH21 ARG 65 HH21 ARG 65 -3.137 16.061 1.059 346 HH22 ARG 65 HH22 ARG 65 -2.027 16.381 2.359 347 H MET 66 H MET 66 -2.627 8.833 3.349 348 HA MET 66 HA MET 66 -3.192 6.159 4.157 349 HB2 MET 66 HB2 MET 66 -1.380 7.657 5.030 350 HB3 MET 66 HB3 MET 66 -2.606 8.599 5.874 351 HG2 MET 66 HG2 MET 66 -1.632 7.124 7.464 352 HG3 MET 66 HG3 MET 66 -3.242 6.509 7.131 353 HE1 MET 66 HE1 MET 66 0.325 5.576 7.747 354 HE2 MET 66 HE2 MET 66 0.780 4.418 6.481 355 HE3 MET 66 HE3 MET 66 0.575 6.137 6.075 356 H GLY 67 H GLY 67 -5.067 9.141 4.545 357 HA2 GLY 67 HA2 GLY 67 -7.063 8.158 6.361 358 HA3 GLY 67 HA3 GLY 67 -7.208 9.557 5.304 359 H GLU 68 H GLU 68 -6.645 7.438 2.986 360 HA GLU 68 HA GLU 68 -9.494 6.670 2.579 361 HB2 GLU 68 HB2 GLU 68 -7.069 6.511 0.761 362 HB3 GLU 68 HB3 GLU 68 -8.692 5.996 0.318 363 HG2 GLU 68 HG2 GLU 68 -7.877 8.836 1.071 364 HG3 GLU 68 HG3 GLU 68 -8.124 8.236 -0.564 365 H CYS 69 H CYS 69 -6.263 5.121 2.836 366 HA CYS 69 HA CYS 69 -7.255 2.437 2.480 367 HB2 CYS 69 HB2 CYS 69 -5.087 1.714 2.972 368 HB3 CYS 69 HB3 CYS 69 -4.966 3.175 2.017 369 H ALA 70 H ALA 70 -7.123 4.496 5.284 370 HA ALA 70 HA ALA 70 -7.656 2.443 7.267 371 HB1 ALA 70 HB1 ALA 70 -6.650 4.616 7.849 372 HB2 ALA 70 HB2 ALA 70 -8.086 5.477 7.263 373 HB3 ALA 70 HB3 ALA 70 -8.202 4.419 8.689 374 H ARG 71 H ARG 71 -9.856 4.967 5.880 375 HA ARG 71 HA ARG 71 -12.190 3.880 7.075 376 HB2 ARG 71 HB2 ARG 71 -13.463 5.425 5.751 377 HB3 ARG 71 HB3 ARG 71 -11.984 6.198 6.312 378 HG2 ARG 71 HG2 ARG 71 -10.968 5.809 4.043 379 HG3 ARG 71 HG3 ARG 71 -12.491 5.094 3.501 380 HD2 ARG 71 HD2 ARG 71 -12.353 7.393 2.753 381 HD3 ARG 71 HD3 ARG 71 -13.662 7.211 3.922 382 HE ARG 71 HE ARG 71 -10.933 8.246 4.658 383 HH11 ARG 71 HH11 ARG 71 -14.402 8.694 4.898 384 HH12 ARG 71 HH12 ARG 71 -14.244 10.039 5.994 385 HH21 ARG 71 HH21 ARG 71 -10.800 9.970 6.004 386 HH22 ARG 71 HH22 ARG 71 -12.241 10.749 6.594 387 H ASN 72 H ASN 72 -10.756 2.931 4.048 388 HA ASN 72 HA ASN 72 -13.062 1.315 3.183 389 HB2 ASN 72 HB2 ASN 72 -10.196 1.635 2.209 390 HB3 ASN 72 HB3 ASN 72 -11.269 0.396 1.568 391 HD21 ASN 72 HD21 ASN 72 -10.656 3.852 1.647 392 HD22 ASN 72 HD22 ASN 72 -11.888 4.238 0.434 393 H CYS 73 H CYS 73 -10.827 0.854 5.671 394 HA CYS 73 HA CYS 73 -11.200 -2.106 5.649 395 HB2 CYS 73 HB2 CYS 73 -8.794 -0.398 5.806 396 HB3 CYS 73 HB3 CYS 73 -8.858 -1.596 7.068 397 HA PRO 74 HA PRO 74 -12.936 -1.769 9.659 398 HB2 PRO 74 HB2 PRO 74 -12.173 -4.028 10.984 399 HB3 PRO 74 HB3 PRO 74 -13.227 -4.056 9.539 400 HG2 PRO 74 HG2 PRO 74 -10.226 -4.476 9.658 401 HG3 PRO 74 HG3 PRO 74 -11.457 -5.506 8.854 402 HD2 PRO 74 HD2 PRO 74 -10.027 -3.651 7.474 403 HD3 PRO 74 HD3 PRO 74 -11.749 -3.953 7.105 404 H GLY 75 H GLY 75 -9.482 -1.832 9.525 405 HA2 GLY 75 HA2 GLY 75 -7.778 -0.974 10.840 406 HA3 GLY 75 HA3 GLY 75 -8.991 0.049 11.608
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