NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6440 | 1j0t | 5633 | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 0 1HN ALA -1 1.352 -0.828 0.478 2 2H ALA 0 2HN ALA -1 0.000 0.000 0.000 3 3H ALA 0 3HN ALA -1 1.352 0.000 -0.956 4 HA ALA 0 HA ALA -1 0.662 1.866 0.842 5 1HB ALA 0 1HB ALA -1 1.313 0.898 2.807 6 2HB ALA 0 2HB ALA -1 2.406 -0.252 2.001 7 3HB ALA 0 3HB ALA -1 2.926 1.429 2.272 8 H SER 1 HN SER 1 2.271 3.624 0.839 9 HA SER 1 HA SER 1 3.490 3.923 -1.700 10 1HB SER 1 2HB SER 1 2.737 5.770 -0.184 11 2HB SER 1 3HB SER 1 4.119 5.410 0.879 12 HG SER 1 HG SER 1 4.069 6.497 -1.702 13 H PHE 2 HN PHE 2 5.226 2.888 -2.470 14 HA PHE 2 HA PHE 2 7.610 2.667 -0.759 15 1HB PHE 2 2HB PHE 2 5.837 0.512 -1.039 16 2HB PHE 2 3HB PHE 2 7.143 0.173 -2.187 17 HD1 PHE 2 HD1 PHE 2 6.186 0.384 1.326 18 HD2 PHE 2 HD2 PHE 2 9.493 -0.024 -1.385 19 HE1 PHE 2 HE1 PHE 2 7.614 -0.418 3.188 20 HE2 PHE 2 HE2 PHE 2 10.921 -0.826 0.477 21 HZ PHE 2 HZ PHE 2 9.981 -1.023 2.764 22 H ILE 3 HN ILE 3 6.720 4.198 -3.157 23 HA ILE 3 HA ILE 3 8.769 3.164 -5.061 24 HB ILE 3 HB ILE 3 6.902 4.881 -6.382 25 1HG1 ILE 3 2HG1 ILE 3 4.881 3.313 -6.074 26 2HG1 ILE 3 3HG1 ILE 3 5.691 2.745 -4.595 27 1HG2 ILE 3 1HG2 ILE 3 7.093 1.852 -6.542 28 2HG2 ILE 3 2HG2 ILE 3 6.676 2.997 -7.840 29 3HG2 ILE 3 3HG2 ILE 3 8.342 2.925 -7.217 30 1HD1 ILE 3 1HD1 ILE 3 4.221 5.229 -5.071 31 2HD1 ILE 3 2HD1 ILE 3 4.752 4.506 -3.534 32 3HD1 ILE 3 3HD1 ILE 3 5.862 5.546 -4.459 33 H ASP 4 HN ASP 4 7.708 5.909 -6.396 34 HA ASP 4 HA ASP 4 8.470 8.086 -4.889 35 1HB ASP 4 2HB ASP 4 10.920 8.262 -5.910 36 2HB ASP 4 3HB ASP 4 10.618 7.442 -4.363 37 H ASN 5 HN ASN 5 7.926 9.824 -6.086 38 HA ASN 5 HA ASN 5 7.131 10.953 -7.930 39 1HB ASN 5 2HB ASN 5 9.432 10.001 -9.565 40 2HB ASN 5 3HB ASN 5 8.867 11.654 -9.240 41 1HD2 ASN 5 1HD2 ASN 5 8.747 11.137 -6.286 42 2HD2 ASN 5 2HD2 ASN 5 10.409 11.193 -5.740 43 H THR 6 HN THR 6 6.449 8.002 -7.665 44 HA THR 6 HA THR 6 6.313 7.029 -10.400 45 HB THR 6 HB THR 6 6.506 5.496 -8.484 46 HG1 THR 6 HG1 THR 6 4.867 4.129 -9.149 47 1HG2 THR 6 1HG2 THR 6 4.390 7.201 -7.464 48 2HG2 THR 6 2HG2 THR 6 3.860 5.502 -7.458 49 3HG2 THR 6 3HG2 THR 6 5.351 5.973 -6.606 50 H CYS 7 HN CYS 7 5.300 9.133 -11.154 51 HA CYS 7 HA CYS 7 2.423 9.333 -10.513 52 1HB CYS 7 2HB CYS 7 4.376 11.056 -12.061 53 2HB CYS 7 3HB CYS 7 2.633 11.370 -12.024 54 H ARG 8 HN ARG 8 1.076 9.971 -12.602 55 HA ARG 8 HA ARG 8 1.871 8.413 -14.959 56 1HB ARG 8 2HB ARG 8 0.168 7.324 -12.911 57 2HB ARG 8 3HB ARG 8 -0.803 7.612 -14.375 58 1HG ARG 8 2HG ARG 8 1.920 6.310 -14.577 59 2HG ARG 8 3HG ARG 8 0.491 5.344 -14.140 60 1HD ARG 8 2HD ARG 8 -0.291 5.377 -16.257 61 2HD ARG 8 3HD ARG 8 -0.048 7.132 -16.392 62 HE ARG 8 HE ARG 8 2.073 5.083 -16.888 63 1HH1 ARG 8 2HH2 ARG 8 0.566 8.236 -17.427 64 2HH1 ARG 8 1HH2 ARG 8 1.695 8.715 -18.675 65 1HH2 ARG 8 2HH1 ARG 8 3.564 5.716 -18.536 66 2HH2 ARG 8 1HH1 ARG 8 3.404 7.278 -19.307 67 H GLY 9 HN GLY 9 -0.011 10.798 -13.269 68 1HA GLY 9 1HA GLY 9 -1.314 11.587 -15.834 69 2HA GLY 9 2HA GLY 9 -1.948 11.952 -14.213 70 H VAL 10 HN VAL 10 1.187 12.316 -13.640 71 HA VAL 10 HA VAL 10 1.211 15.078 -13.407 72 HB VAL 10 HB VAL 10 2.869 13.479 -12.431 73 1HG1 VAL 10 1HG1 VAL 10 3.955 13.509 -15.280 74 2HG1 VAL 10 2HG1 VAL 10 4.793 12.814 -13.872 75 3HG1 VAL 10 3HG1 VAL 10 3.259 12.107 -14.432 76 1HG2 VAL 10 1HG2 VAL 10 3.248 15.984 -12.646 77 2HG2 VAL 10 2HG2 VAL 10 4.734 15.010 -12.542 78 3HG2 VAL 10 3HG2 VAL 10 4.193 15.642 -14.115 79 H MET 11 HN MET 11 1.120 13.261 -16.281 80 HA MET 11 HA MET 11 2.576 15.234 -17.894 81 1HB MET 11 2HB MET 11 2.077 13.737 -19.744 82 2HB MET 11 3HB MET 11 2.653 12.773 -18.363 83 1HG MET 11 2HG MET 11 0.783 11.560 -18.970 84 2HG MET 11 3HG MET 11 0.093 12.653 -17.759 85 1HE MET 11 1HE MET 11 0.310 11.568 -21.455 86 2HE MET 11 2HE MET 11 -0.443 12.915 -22.343 87 3HE MET 11 3HE MET 11 1.138 13.141 -21.556 88 H GLY 12 HN GLY 12 -0.756 14.277 -17.098 89 1HA GLY 12 1HA GLY 12 -1.850 16.202 -19.040 90 2HA GLY 12 2HA GLY 12 -2.767 15.083 -18.005 91 H ASN 13 HN ASN 13 -1.704 15.660 -15.487 92 HA ASN 13 HA ASN 13 -3.245 17.717 -14.538 93 1HB ASN 13 2HB ASN 13 -0.470 17.233 -13.440 94 2HB ASN 13 3HB ASN 13 -1.968 17.609 -12.561 95 1HD2 ASN 13 1HD2 ASN 13 0.138 15.240 -12.749 96 2HD2 ASN 13 2HD2 ASN 13 -0.893 13.825 -12.742 97 H ARG 14 HN ARG 14 0.311 18.193 -14.736 98 HA ARG 14 HA ARG 14 1.549 20.042 -15.264 99 1HB ARG 14 2HB ARG 14 -0.816 20.286 -17.123 100 2HB ARG 14 3HB ARG 14 0.410 21.575 -17.061 101 1HG ARG 14 2HG ARG 14 2.168 20.056 -17.668 102 2HG ARG 14 3HG ARG 14 1.119 18.639 -17.421 103 1HD ARG 14 2HD ARG 14 0.796 18.780 -19.670 104 2HD ARG 14 3HD ARG 14 -0.353 20.064 -19.237 105 HE ARG 14 HE ARG 14 1.060 21.604 -20.211 106 1HH1 ARG 14 2HH2 ARG 14 2.845 18.648 -19.451 107 2HH1 ARG 14 1HH2 ARG 14 4.321 19.177 -20.228 108 1HH2 ARG 14 2HH1 ARG 14 3.009 22.303 -21.237 109 2HH2 ARG 14 1HH1 ARG 14 4.414 21.261 -21.246 110 H ASP 15 HN ASP 15 -0.917 20.056 -13.263 111 HA ASP 15 HA ASP 15 -0.672 22.969 -12.716 112 1HB ASP 15 2HB ASP 15 -3.168 21.266 -12.871 113 2HB ASP 15 3HB ASP 15 -3.112 22.743 -11.885 114 H ILE 16 HN ILE 16 -1.774 19.781 -11.439 115 HA ILE 16 HA ILE 16 -1.568 20.507 -8.698 116 HB ILE 16 HB ILE 16 -1.119 17.709 -9.750 117 1HG1 ILE 16 2HG1 ILE 16 -3.767 19.214 -9.608 118 2HG1 ILE 16 3HG1 ILE 16 -2.927 18.748 -11.106 119 1HG2 ILE 16 1HG2 ILE 16 -3.075 18.292 -7.611 120 2HG2 ILE 16 2HG2 ILE 16 -1.759 17.093 -7.657 121 3HG2 ILE 16 3HG2 ILE 16 -1.409 18.783 -7.218 122 1HD1 ILE 16 1HD1 ILE 16 -3.129 16.443 -9.376 123 2HD1 ILE 16 2HD1 ILE 16 -4.738 17.181 -9.557 124 3HD1 ILE 16 3HD1 ILE 16 -3.820 16.682 -10.998 125 H TYR 17 HN TYR 17 0.782 19.361 -11.091 126 HA TYR 17 HA TYR 17 2.831 18.676 -9.200 127 1HB TYR 17 2HB TYR 17 2.613 17.957 -11.633 128 2HB TYR 17 3HB TYR 17 3.181 19.577 -12.072 129 HD1 TYR 17 HD1 TYR 17 4.122 16.273 -10.878 130 HD2 TYR 17 HD2 TYR 17 5.476 20.317 -11.392 131 HE1 TYR 17 HE1 TYR 17 6.471 15.518 -10.627 132 HE2 TYR 17 HE2 TYR 17 7.825 19.562 -11.140 133 HH TYR 17 HH TYR 17 8.757 16.223 -11.137 134 H LYS 18 HN LYS 18 2.767 21.412 -11.555 135 HA LYS 18 HA LYS 18 4.801 22.931 -10.539 136 1HB LYS 18 2HB LYS 18 2.105 23.781 -11.647 137 2HB LYS 18 3HB LYS 18 3.424 24.929 -11.318 138 1HG LYS 18 2HG LYS 18 4.470 24.350 -13.231 139 2HG LYS 18 3HG LYS 18 4.444 22.632 -12.769 140 1HD LYS 18 2HD LYS 18 2.392 22.241 -13.836 141 2HD LYS 18 3HD LYS 18 1.928 23.959 -13.788 142 1HE LYS 18 2HE LYS 18 4.412 23.299 -15.302 143 2HE LYS 18 3HE LYS 18 2.885 22.734 -16.015 144 1HZ LYS 18 1HZ LYS 18 2.071 24.997 -15.799 145 2HZ LYS 18 2HZ LYS 18 3.549 25.490 -15.259 146 3HZ LYS 18 3HZ LYS 18 3.386 24.896 -16.789 147 H LYS 19 HN LYS 19 1.427 22.801 -9.323 148 HA LYS 19 HA LYS 19 1.859 24.779 -7.280 149 1HB LYS 19 2HB LYS 19 -0.370 24.247 -8.180 150 2HB LYS 19 3HB LYS 19 -0.239 22.589 -7.546 151 1HG LYS 19 2HG LYS 19 0.353 24.090 -5.311 152 2HG LYS 19 3HG LYS 19 -0.845 25.120 -6.130 153 1HD LYS 19 2HD LYS 19 -1.850 23.432 -4.536 154 2HD LYS 19 3HD LYS 19 -2.450 23.304 -6.207 155 1HE LYS 19 2HE LYS 19 -0.084 21.707 -6.006 156 2HE LYS 19 3HE LYS 19 -1.120 21.308 -4.619 157 1HZ LYS 19 1HZ LYS 19 -2.917 20.953 -6.153 158 2HZ LYS 19 2HZ LYS 19 -1.943 21.306 -7.436 159 3HZ LYS 19 3HZ LYS 19 -1.641 19.973 -6.513 160 H VAL 20 HN VAL 20 1.500 21.187 -7.156 161 HA VAL 20 HA VAL 20 2.001 20.789 -4.466 162 HB VAL 20 HB VAL 20 2.638 19.201 -6.953 163 1HG1 VAL 20 1HG1 VAL 20 2.934 17.443 -4.810 164 2HG1 VAL 20 2HG1 VAL 20 4.253 18.095 -5.811 165 3HG1 VAL 20 3HG1 VAL 20 3.823 18.891 -4.278 166 1HG2 VAL 20 1HG2 VAL 20 1.013 18.111 -4.727 167 2HG2 VAL 20 2HG2 VAL 20 0.354 19.592 -5.462 168 3HG2 VAL 20 3HG2 VAL 20 0.669 18.161 -6.473 169 H VAL 21 HN VAL 21 4.557 20.397 -6.984 170 HA VAL 21 HA VAL 21 6.757 20.323 -5.335 171 HB VAL 21 HB VAL 21 6.851 20.013 -7.768 172 1HG1 VAL 21 1HG1 VAL 21 5.315 22.285 -7.895 173 2HG1 VAL 21 2HG1 VAL 21 6.915 22.925 -8.341 174 3HG1 VAL 21 3HG1 VAL 21 6.196 21.593 -9.278 175 1HG2 VAL 21 1HG2 VAL 21 8.906 21.372 -8.206 176 2HG2 VAL 21 2HG2 VAL 21 8.560 22.318 -6.738 177 3HG2 VAL 21 3HG2 VAL 21 8.935 20.582 -6.611 178 H ARG 22 HN ARG 22 4.917 23.192 -6.402 179 HA ARG 22 HA ARG 22 6.749 25.095 -5.261 180 1HB ARG 22 2HB ARG 22 5.190 25.681 -7.065 181 2HB ARG 22 3HB ARG 22 3.806 25.315 -6.007 182 1HG ARG 22 2HG ARG 22 5.900 27.283 -5.085 183 2HG ARG 22 3HG ARG 22 4.657 27.806 -6.247 184 1HD ARG 22 2HD ARG 22 3.586 26.227 -3.998 185 2HD ARG 22 3HD ARG 22 4.359 27.744 -3.492 186 HE ARG 22 HE ARG 22 2.504 27.999 -5.744 187 1HH1 ARG 22 2HH2 ARG 22 2.961 28.064 -2.238 188 2HH1 ARG 22 1HH2 ARG 22 1.543 29.043 -1.934 189 1HH2 ARG 22 2HH1 ARG 22 0.631 29.292 -5.342 190 2HH2 ARG 22 1HH1 ARG 22 0.215 29.743 -3.704 191 H VAL 23 HN VAL 23 4.006 23.205 -4.075 192 HA VAL 23 HA VAL 23 3.563 24.748 -1.695 193 HB VAL 23 HB VAL 23 2.263 22.708 -3.002 194 1HG1 VAL 23 1HG1 VAL 23 4.047 21.186 -1.874 195 2HG1 VAL 23 2HG1 VAL 23 3.162 21.515 -0.365 196 3HG1 VAL 23 3HG1 VAL 23 2.336 20.717 -1.725 197 1HG2 VAL 23 1HG2 VAL 23 2.058 24.004 -0.298 198 2HG2 VAL 23 2HG2 VAL 23 0.936 24.072 -1.678 199 3HG2 VAL 23 3HG2 VAL 23 0.994 22.621 -0.649 200 H CYS 24 HN CYS 24 5.708 22.059 -2.592 201 HA CYS 24 HA CYS 24 6.517 21.414 0.082 202 1HB CYS 24 2HB CYS 24 8.251 21.055 -2.354 203 2HB CYS 24 3HB CYS 24 8.082 20.008 -0.935 204 H GLU 25 HN GLU 25 7.732 23.643 -2.440 205 HA GLU 25 HA GLU 25 10.154 24.373 -1.209 206 1HB GLU 25 2HB GLU 25 8.232 26.017 -2.902 207 2HB GLU 25 3HB GLU 25 9.916 26.466 -2.538 208 1HG GLU 25 2HG GLU 25 9.206 23.790 -3.775 209 2HG GLU 25 3HG GLU 25 9.463 25.239 -4.771 210 H ASP 26 HN ASP 26 6.891 25.879 -0.922 211 HA ASP 26 HA ASP 26 7.535 27.929 0.849 212 1HB ASP 26 2HB ASP 26 5.353 27.886 -0.056 213 2HB ASP 26 3HB ASP 26 5.070 26.215 0.477 214 H CYS 27 HN CYS 27 6.298 24.650 1.734 215 HA CYS 27 HA CYS 27 6.654 24.937 4.511 216 1HB CYS 27 2HB CYS 27 6.155 22.691 4.623 217 2HB CYS 27 3HB CYS 27 5.493 23.105 3.033 218 H THR 28 HN THR 28 8.864 23.596 2.003 219 HA THR 28 HA THR 28 10.949 22.735 3.594 220 HB THR 28 HB THR 28 10.998 24.205 0.934 221 HG1 THR 28 HG1 THR 28 11.397 21.466 1.515 222 1HG2 THR 28 1HG2 THR 28 13.187 24.316 2.190 223 2HG2 THR 28 2HG2 THR 28 13.195 22.536 2.226 224 3HG2 THR 28 3HG2 THR 28 13.273 23.395 0.669 225 H ASN 29 HN ASN 29 9.909 26.039 2.929 226 HA ASN 29 HA ASN 29 12.336 27.258 3.953 227 1HB ASN 29 2HB ASN 29 9.565 28.434 3.522 228 2HB ASN 29 3HB ASN 29 11.080 29.338 3.734 229 1HD2 ASN 29 1HD2 ASN 29 8.904 28.428 1.453 230 2HD2 ASN 29 2HD2 ASN 29 9.943 28.307 0.050 231 H ILE 30 HN ILE 30 9.003 26.686 5.172 232 HA ILE 30 HA ILE 30 9.085 27.966 7.601 233 HB ILE 30 HB ILE 30 7.816 25.462 6.576 234 1HG1 ILE 30 2HG1 ILE 30 5.789 26.691 7.327 235 2HG1 ILE 30 3HG1 ILE 30 6.828 27.970 8.001 236 1HG2 ILE 30 1HG2 ILE 30 8.366 26.069 9.462 237 2HG2 ILE 30 2HG2 ILE 30 6.741 25.478 9.040 238 3HG2 ILE 30 3HG2 ILE 30 8.174 24.499 8.646 239 1HD1 ILE 30 1HD1 ILE 30 6.392 27.203 5.103 240 2HD1 ILE 30 2HD1 ILE 30 6.257 28.805 5.868 241 3HD1 ILE 30 3HD1 ILE 30 7.859 28.076 5.605 242 H PHE 31 HN PHE 31 10.240 24.599 6.985 243 HA PHE 31 HA PHE 31 11.605 24.628 9.595 244 1HB PHE 31 2HB PHE 31 10.987 22.564 7.487 245 2HB PHE 31 3HB PHE 31 12.224 22.248 8.716 246 HD1 PHE 31 HD1 PHE 31 9.035 21.426 7.966 247 HD2 PHE 31 HD2 PHE 31 11.218 23.260 11.179 248 HE1 PHE 31 HE1 PHE 31 7.267 20.734 9.563 249 HE2 PHE 31 HE2 PHE 31 9.451 22.568 12.775 250 HZ PHE 31 HZ PHE 31 7.475 21.305 11.967 251 H ARG 32 HN ARG 32 12.239 25.097 6.194 252 HA ARG 32 HA ARG 32 14.156 25.656 5.076 253 1HB ARG 32 2HB ARG 32 14.725 26.359 7.901 254 2HB ARG 32 3HB ARG 32 16.161 26.123 6.877 255 1HG ARG 32 2HG ARG 32 14.317 27.586 5.299 256 2HG ARG 32 3HG ARG 32 14.283 28.338 6.911 257 1HD ARG 32 2HD ARG 32 16.266 29.314 6.507 258 2HD ARG 32 3HD ARG 32 17.009 27.716 6.281 259 HE ARG 32 HE ARG 32 16.403 27.866 3.894 260 1HH1 ARG 32 2HH2 ARG 32 16.316 30.807 5.854 261 2HH1 ARG 32 1HH2 ARG 32 16.501 31.886 4.489 262 1HH2 ARG 32 2HH1 ARG 32 16.646 29.291 2.091 263 2HH2 ARG 32 1HH1 ARG 32 16.689 31.021 2.343 264 H LEU 33 HN LEU 33 13.503 22.862 5.937 265 HA LEU 33 HA LEU 33 16.208 21.688 6.187 266 1HB LEU 33 2HB LEU 33 13.420 20.475 6.331 267 2HB LEU 33 3HB LEU 33 14.941 19.574 6.546 268 HG LEU 33 HG LEU 33 14.331 22.041 8.198 269 1HD1 LEU 33 1HD1 LEU 33 13.694 19.181 9.014 270 2HD1 LEU 33 2HD1 LEU 33 13.294 20.682 9.883 271 3HD1 LEU 33 3HD1 LEU 33 12.470 20.293 8.354 272 1HD2 LEU 33 1HD2 LEU 33 15.911 19.557 8.929 273 2HD2 LEU 33 2HD2 LEU 33 16.645 20.884 7.998 274 3HD2 LEU 33 3HD2 LEU 33 16.015 21.188 9.635 275 HA PRO 34 HA PRO 34 16.288 20.950 1.829 276 1HB PRO 34 2HB PRO 34 18.493 19.351 1.741 277 2HB PRO 34 3HB PRO 34 18.602 21.088 2.175 278 1HG PRO 34 2HG PRO 34 18.428 18.727 4.069 279 2HG PRO 34 3HG PRO 34 19.642 20.048 4.085 280 1HD PRO 34 2HD PRO 34 17.429 20.130 5.675 281 2HD PRO 34 3HD PRO 34 18.023 21.614 4.869 282 H GLY 35 HN GLY 35 16.316 18.385 4.303 283 1HA GLY 35 1HA GLY 35 15.438 16.373 2.336 284 2HA GLY 35 2HA GLY 35 15.818 16.101 4.052 285 H LEU 36 HN LEU 36 13.517 18.111 2.120 286 HA LEU 36 HA LEU 36 11.276 16.889 3.584 287 1HB LEU 36 2HB LEU 36 12.229 19.014 4.795 288 2HB LEU 36 3HB LEU 36 11.433 19.899 3.472 289 HG LEU 36 HG LEU 36 9.309 18.651 4.005 290 1HD1 LEU 36 1HD1 LEU 36 9.238 17.576 6.292 291 2HD1 LEU 36 2HD1 LEU 36 10.230 16.695 5.105 292 3HD1 LEU 36 3HD1 LEU 36 11.012 17.703 6.345 293 1HD2 LEU 36 1HD2 LEU 36 10.662 20.381 6.103 294 2HD2 LEU 36 2HD2 LEU 36 9.472 20.868 4.872 295 3HD2 LEU 36 3HD2 LEU 36 8.965 19.864 6.252 296 H ASP 37 HN ASP 37 12.168 19.588 1.356 297 HA ASP 37 HA ASP 37 9.857 19.824 -0.097 298 1HB ASP 37 2HB ASP 37 11.159 20.791 -1.782 299 2HB ASP 37 3HB ASP 37 12.185 20.969 -0.342 300 H GLY 38 HN GLY 38 12.463 17.394 -0.643 301 1HA GLY 38 1HA GLY 38 11.372 16.111 -2.873 302 2HA GLY 38 2HA GLY 38 12.374 15.322 -1.633 303 H MET 39 HN MET 39 11.093 14.927 0.529 304 HA MET 39 HA MET 39 9.255 12.938 0.195 305 1HB MET 39 2HB MET 39 9.584 15.008 2.378 306 2HB MET 39 3HB MET 39 8.353 13.728 2.497 307 1HG MET 39 2HG MET 39 9.889 12.128 2.902 308 2HG MET 39 3HG MET 39 10.973 12.725 1.635 309 1HE MET 39 1HE MET 39 10.761 15.024 5.610 310 2HE MET 39 2HE MET 39 9.496 14.851 4.370 311 3HE MET 39 3HE MET 39 9.832 13.510 5.492 312 H CYS 40 HN CYS 40 8.409 16.401 0.765 313 HA CYS 40 HA CYS 40 5.674 16.283 0.637 314 1HB CYS 40 2HB CYS 40 6.875 18.345 1.006 315 2HB CYS 40 3HB CYS 40 7.565 18.290 -0.624 316 H ARG 41 HN ARG 41 7.826 16.696 -2.236 317 HA ARG 41 HA ARG 41 5.605 15.586 -3.885 318 1HB ARG 41 2HB ARG 41 6.861 16.776 -5.767 319 2HB ARG 41 3HB ARG 41 6.058 17.827 -4.575 320 1HG ARG 41 2HG ARG 41 8.045 18.818 -4.188 321 2HG ARG 41 3HG ARG 41 8.639 17.274 -3.530 322 1HD ARG 41 2HD ARG 41 10.112 18.039 -5.336 323 2HD ARG 41 3HD ARG 41 9.264 16.556 -5.825 324 HE ARG 41 HE ARG 41 7.740 18.806 -6.668 325 1HH1 ARG 41 2HH2 ARG 41 10.793 17.146 -7.320 326 2HH1 ARG 41 1HH2 ARG 41 10.858 17.635 -8.998 327 1HH2 ARG 41 2HH1 ARG 41 7.826 19.450 -8.885 328 2HH2 ARG 41 1HH1 ARG 41 9.166 18.948 -9.891 329 H ASN 42 HN ASN 42 7.103 13.742 -2.509 330 HA ASN 42 HA ASN 42 9.288 12.864 -4.276 331 1HB ASN 42 2HB ASN 42 9.648 12.720 -1.881 332 2HB ASN 42 3HB ASN 42 8.148 11.791 -1.671 333 1HD2 ASN 42 1HD2 ASN 42 9.534 10.154 -0.634 334 2HD2 ASN 42 2HD2 ASN 42 10.411 9.021 -1.638 335 H ARG 43 HN ARG 43 7.235 10.528 -2.667 336 HA ARG 43 HA ARG 43 6.891 8.971 -5.012 337 1HB ARG 43 2HB ARG 43 4.915 8.062 -3.426 338 2HB ARG 43 3HB ARG 43 6.630 7.691 -3.125 339 1HG ARG 43 2HG ARG 43 5.586 10.256 -1.994 340 2HG ARG 43 3HG ARG 43 5.014 8.752 -1.233 341 1HD ARG 43 2HD ARG 43 7.514 8.048 -1.232 342 2HD ARG 43 3HD ARG 43 7.854 9.767 -1.529 343 HE ARG 43 HE ARG 43 6.177 9.870 0.619 344 1HH1 ARG 43 2HH2 ARG 43 9.091 8.004 -0.107 345 2HH1 ARG 43 1HH2 ARG 43 9.607 7.903 1.562 346 1HH2 ARG 43 2HH1 ARG 43 6.858 9.736 2.823 347 2HH2 ARG 43 1HH1 ARG 43 8.334 8.890 3.232 348 H CYS 44 HN CYS 44 6.197 10.783 -6.471 349 HA CYS 44 HA CYS 44 4.589 11.988 -7.588 350 1HB CYS 44 2HB CYS 44 4.021 9.572 -8.028 351 2HB CYS 44 3HB CYS 44 2.823 9.677 -6.728 352 H PHE 45 HN PHE 45 4.887 12.418 -4.610 353 HA PHE 45 HA PHE 45 3.909 13.808 -3.072 354 1HB PHE 45 2HB PHE 45 1.543 14.262 -4.862 355 2HB PHE 45 3HB PHE 45 2.371 15.393 -3.779 356 HD1 PHE 45 HD1 PHE 45 1.609 16.114 -6.565 357 HD2 PHE 45 HD2 PHE 45 5.168 14.266 -5.024 358 HE1 PHE 45 HE1 PHE 45 2.902 17.001 -8.486 359 HE2 PHE 45 HE2 PHE 45 6.461 15.154 -6.945 360 HZ PHE 45 HZ PHE 45 5.328 16.522 -8.676 361 H TYR 46 HN TYR 46 3.288 10.885 -3.413 362 HA TYR 46 HA TYR 46 0.643 10.860 -2.036 363 1HB TYR 46 2HB TYR 46 0.849 9.665 -4.253 364 2HB TYR 46 3HB TYR 46 2.028 8.586 -3.489 365 HD1 TYR 46 HD1 TYR 46 1.338 6.774 -2.117 366 HD2 TYR 46 HD2 TYR 46 -1.517 9.719 -3.390 367 HE1 TYR 46 HE1 TYR 46 -0.509 5.340 -1.291 368 HE2 TYR 46 HE2 TYR 46 -3.365 8.286 -2.564 369 HH TYR 46 HH TYR 46 -3.543 6.318 -0.678 370 H ASN 47 HN ASN 47 1.620 11.347 0.012 371 HA ASN 47 HA ASN 47 2.345 9.029 1.500 372 1HB ASN 47 2HB ASN 47 4.483 9.999 0.044 373 2HB ASN 47 3HB ASN 47 4.682 10.821 1.607 374 1HD2 ASN 47 1HD2 ASN 47 4.488 9.390 3.595 375 2HD2 ASN 47 2HD2 ASN 47 5.185 7.788 3.495 376 H GLU 48 HN GLU 48 0.617 11.488 1.422 377 HA GLU 48 HA GLU 48 -0.248 12.980 2.926 378 1HB GLU 48 2HB GLU 48 -0.400 12.205 5.063 379 2HB GLU 48 3HB GLU 48 0.372 10.758 4.373 380 1HG GLU 48 2HG GLU 48 2.030 11.076 5.870 381 2HG GLU 48 3HG GLU 48 2.513 12.477 4.890 382 H TRP 49 HN TRP 49 3.131 12.644 2.425 383 HA TRP 49 HA TRP 49 4.273 14.596 4.041 384 1HB TRP 49 2HB TRP 49 4.779 13.591 1.261 385 2HB TRP 49 3HB TRP 49 5.683 14.996 1.841 386 HD1 TRP 49 HD1 TRP 49 6.532 11.756 1.268 387 HE1 TRP 49 HE1 TRP 49 8.072 10.672 2.983 388 HE3 TRP 49 HE3 TRP 49 5.780 14.974 5.177 389 HZ2 TRP 49 HZ2 TRP 49 8.886 11.136 5.721 390 HZ3 TRP 49 HZ3 TRP 49 6.953 14.621 7.319 391 HH2 TRP 49 HH2 TRP 49 8.505 12.711 7.607 392 H PHE 50 HN PHE 50 1.661 15.004 1.968 393 HA PHE 50 HA PHE 50 2.305 17.702 1.067 394 1HB PHE 50 2HB PHE 50 0.629 15.730 0.194 395 2HB PHE 50 3HB PHE 50 -0.505 16.765 1.079 396 HD1 PHE 50 HD1 PHE 50 2.424 17.300 -1.228 397 HD2 PHE 50 HD2 PHE 50 -1.645 18.266 -0.250 398 HE1 PHE 50 HE1 PHE 50 2.327 18.849 -3.162 399 HE2 PHE 50 HE2 PHE 50 -1.743 19.815 -2.184 400 HZ PHE 50 HZ PHE 50 0.243 20.106 -3.640 401 H LEU 51 HN LEU 51 0.257 16.150 3.569 402 HA LEU 51 HA LEU 51 -0.927 18.558 4.523 403 1HB LEU 51 2HB LEU 51 -1.670 16.168 4.961 404 2HB LEU 51 3HB LEU 51 -0.328 16.047 6.125 405 HG LEU 51 HG LEU 51 -1.572 18.470 6.776 406 1HD1 LEU 51 1HD1 LEU 51 -3.925 18.055 6.895 407 2HD1 LEU 51 2HD1 LEU 51 -3.446 17.627 5.235 408 3HD1 LEU 51 3HD1 LEU 51 -3.720 16.346 6.440 409 1HD2 LEU 51 1HD2 LEU 51 -2.465 17.062 8.729 410 2HD2 LEU 51 2HD2 LEU 51 -1.756 15.653 7.904 411 3HD2 LEU 51 3HD2 LEU 51 -0.710 16.988 8.445 412 H ILE 52 HN ILE 52 2.127 16.876 5.239 413 HA ILE 52 HA ILE 52 2.842 18.271 7.584 414 HB ILE 52 HB ILE 52 4.603 17.202 5.343 415 1HG1 ILE 52 2HG1 ILE 52 4.790 15.296 7.117 416 2HG1 ILE 52 3HG1 ILE 52 3.286 15.979 7.781 417 1HG2 ILE 52 1HG2 ILE 52 5.111 18.307 8.091 418 2HG2 ILE 52 2HG2 ILE 52 6.091 16.924 7.546 419 3HG2 ILE 52 3HG2 ILE 52 6.095 18.440 6.614 420 1HD1 ILE 52 1HD1 ILE 52 3.166 15.731 4.867 421 2HD1 ILE 52 2HD1 ILE 52 3.496 14.165 5.647 422 3HD1 ILE 52 3HD1 ILE 52 2.052 15.100 6.103 423 H CYS 53 HN CYS 53 3.578 19.000 4.130 424 HA CYS 53 HA CYS 53 4.865 21.503 4.785 425 1HB CYS 53 2HB CYS 53 3.878 20.203 2.239 426 2HB CYS 53 3HB CYS 53 4.577 21.830 2.255 427 H LEU 54 HN LEU 54 1.638 20.505 3.578 428 HA LEU 54 HA LEU 54 0.604 23.095 3.129 429 1HB LEU 54 2HB LEU 54 -0.485 20.355 3.600 430 2HB LEU 54 3HB LEU 54 -1.604 21.719 3.839 431 HG LEU 54 HG LEU 54 0.097 21.900 1.410 432 1HD1 LEU 54 1HD1 LEU 54 -1.965 19.704 1.820 433 2HD1 LEU 54 2HD1 LEU 54 -1.520 20.310 0.207 434 3HD1 LEU 54 3HD1 LEU 54 -0.290 19.543 1.240 435 1HD2 LEU 54 1HD2 LEU 54 -1.606 23.255 0.800 436 2HD2 LEU 54 2HD2 LEU 54 -2.814 21.988 1.120 437 3HD2 LEU 54 3HD2 LEU 54 -2.253 23.037 2.444 438 H LYS 55 HN LYS 55 1.244 21.306 6.076 439 HA LYS 55 HA LYS 55 -0.532 22.862 7.748 440 1HB LYS 55 2HB LYS 55 1.366 20.643 8.014 441 2HB LYS 55 3HB LYS 55 1.458 21.785 9.375 442 1HG LYS 55 2HG LYS 55 -0.572 21.160 10.166 443 2HG LYS 55 3HG LYS 55 -1.308 21.225 8.547 444 1HD LYS 55 2HD LYS 55 -1.340 18.966 8.576 445 2HD LYS 55 3HD LYS 55 0.435 19.015 8.458 446 1HE LYS 55 2HE LYS 55 -1.302 18.754 10.922 447 2HE LYS 55 3HE LYS 55 0.044 17.722 10.393 448 1HZ LYS 55 1HZ LYS 55 0.352 20.513 11.241 449 2HZ LYS 55 2HZ LYS 55 0.569 19.216 12.236 450 3HZ LYS 55 3HZ LYS 55 1.552 19.425 10.928 451 H ALA 56 HN ALA 56 2.983 22.880 7.007 452 HA ALA 56 HA ALA 56 3.743 24.917 8.786 453 1HB ALA 56 1HB ALA 56 5.186 25.161 6.308 454 2HB ALA 56 2HB ALA 56 5.720 24.433 7.842 455 3HB ALA 56 3HB ALA 56 4.881 23.437 6.630 456 H ALA 57 HN ALA 57 1.522 25.070 6.241 457 HA ALA 57 HA ALA 57 1.975 27.998 5.916 458 1HB ALA 57 1HB ALA 57 0.254 26.316 4.094 459 2HB ALA 57 2HB ALA 57 1.107 27.839 3.750 460 3HB ALA 57 3HB ALA 57 2.023 26.321 3.901 461 H ASN 58 HN ASN 58 0.352 26.013 7.860 462 HA ASN 58 HA ASN 58 -1.544 26.247 9.121 463 1HB ASN 58 2HB ASN 58 -1.397 28.452 9.650 464 2HB ASN 58 3HB ASN 58 -1.112 28.943 7.966 465 1HD2 ASN 58 1HD2 ASN 58 -3.098 28.625 6.469 466 2HD2 ASN 58 2HD2 ASN 58 -4.638 29.131 7.128 467 H ARG 59 HN ARG 59 -1.619 26.727 5.661 468 HA ARG 59 HA ARG 59 -4.279 26.811 5.002 469 1HB ARG 59 2HB ARG 59 -1.824 25.928 3.782 470 2HB ARG 59 3HB ARG 59 -3.121 24.780 3.372 471 1HG ARG 59 2HG ARG 59 -4.286 26.330 2.154 472 2HG ARG 59 3HG ARG 59 -3.861 27.664 3.253 473 1HD ARG 59 2HD ARG 59 -1.409 27.107 2.228 474 2HD ARG 59 3HD ARG 59 -2.425 26.628 0.851 475 HE ARG 59 HE ARG 59 -3.373 29.125 1.702 476 1HH1 ARG 59 2HH2 ARG 59 -0.384 27.720 0.443 477 2HH1 ARG 59 1HH2 ARG 59 0.140 29.193 -0.342 478 1HH2 ARG 59 2HH1 ARG 59 -2.682 31.072 0.666 479 2HH2 ARG 59 1HH1 ARG 59 -1.170 31.104 -0.214 480 H GLU 60 HN GLU 60 -2.554 23.649 5.166 481 HA GLU 60 HA GLU 60 -3.562 21.553 5.402 482 1HB GLU 60 2HB GLU 60 -2.682 22.372 7.633 483 2HB GLU 60 3HB GLU 60 -4.348 22.851 8.035 484 1HG GLU 60 2HG GLU 60 -5.132 20.603 7.915 485 2HG GLU 60 3HG GLU 60 -3.655 20.049 7.097 486 H ASP 61 HN ASP 61 -5.282 23.074 3.841 487 HA ASP 61 HA ASP 61 -7.890 22.035 4.780 488 1HB ASP 61 2HB ASP 61 -7.120 24.841 4.582 489 2HB ASP 61 3HB ASP 61 -8.480 24.461 3.503 490 H GLU 62 HN GLU 62 -5.822 23.356 2.188 491 HA GLU 62 HA GLU 62 -7.654 22.530 0.087 492 1HB GLU 62 2HB GLU 62 -4.720 23.302 -0.107 493 2HB GLU 62 3HB GLU 62 -5.933 23.327 -1.409 494 1HG GLU 62 2HG GLU 62 -6.683 24.854 1.019 495 2HG GLU 62 3HG GLU 62 -5.272 25.493 0.148 496 H ILE 63 HN ILE 63 -6.079 20.702 2.217 497 HA ILE 63 HA ILE 63 -4.552 18.905 0.585 498 HB ILE 63 HB ILE 63 -5.824 17.796 3.007 499 1HG1 ILE 63 2HG1 ILE 63 -5.830 20.202 3.600 500 2HG1 ILE 63 3HG1 ILE 63 -4.619 19.308 4.549 501 1HG2 ILE 63 1HG2 ILE 63 -3.429 17.579 1.505 502 2HG2 ILE 63 2HG2 ILE 63 -2.956 18.247 3.086 503 3HG2 ILE 63 3HG2 ILE 63 -3.848 16.709 3.000 504 1HD1 ILE 63 1HD1 ILE 63 -2.829 20.255 3.413 505 2HD1 ILE 63 2HD1 ILE 63 -3.775 20.521 1.929 506 3HD1 ILE 63 3HD1 ILE 63 -3.994 21.597 3.330 507 H GLU 64 HN GLU 64 -7.968 19.103 1.587 508 HA GLU 64 HA GLU 64 -8.816 16.540 0.836 509 1HB GLU 64 2HB GLU 64 -9.987 19.099 1.481 510 2HB GLU 64 3HB GLU 64 -10.840 18.389 0.090 511 1HG GLU 64 2HG GLU 64 -11.099 16.266 1.341 512 2HG GLU 64 3HG GLU 64 -10.260 16.986 2.731 513 H LYS 65 HN LYS 65 -8.828 19.555 -1.152 514 HA LYS 65 HA LYS 65 -9.539 18.144 -3.557 515 1HB LYS 65 2HB LYS 65 -8.685 20.402 -4.565 516 2HB LYS 65 3HB LYS 65 -10.143 20.406 -3.543 517 1HG LYS 65 2HG LYS 65 -9.115 21.917 -2.218 518 2HG LYS 65 3HG LYS 65 -7.971 20.636 -1.751 519 1HD LYS 65 2HD LYS 65 -6.313 21.724 -2.820 520 2HD LYS 65 3HD LYS 65 -7.217 21.604 -4.348 521 1HE LYS 65 2HE LYS 65 -8.455 23.620 -2.718 522 2HE LYS 65 3HE LYS 65 -6.707 23.935 -2.760 523 1HZ LYS 65 1HZ LYS 65 -6.782 24.383 -4.918 524 2HZ LYS 65 2HZ LYS 65 -7.931 23.251 -5.264 525 3HZ LYS 65 3HZ LYS 65 -8.373 24.708 -4.630 526 H PHE 66 HN PHE 66 -6.500 19.144 -2.004 527 HA PHE 66 HA PHE 66 -4.824 18.612 -4.270 528 1HB PHE 66 2HB PHE 66 -4.345 18.813 -1.286 529 2HB PHE 66 3HB PHE 66 -3.040 18.506 -2.445 530 HD1 PHE 66 HD1 PHE 66 -4.673 20.350 -4.565 531 HD2 PHE 66 HD2 PHE 66 -3.076 20.867 -0.611 532 HE1 PHE 66 HE1 PHE 66 -4.455 22.787 -4.971 533 HE2 PHE 66 HE2 PHE 66 -2.859 23.304 -1.017 534 HZ PHE 66 HZ PHE 66 -3.549 24.264 -3.197 535 H ARG 67 HN ARG 67 -6.361 16.628 -1.826 536 HA ARG 67 HA ARG 67 -4.590 14.370 -2.068 537 1HB ARG 67 2HB ARG 67 -6.973 15.127 -0.600 538 2HB ARG 67 3HB ARG 67 -7.161 13.492 -1.279 539 1HG ARG 67 2HG ARG 67 -4.945 12.867 -0.327 540 2HG ARG 67 3HG ARG 67 -4.815 14.488 0.396 541 1HD ARG 67 2HD ARG 67 -6.402 14.051 2.000 542 2HD ARG 67 3HD ARG 67 -7.328 12.966 0.941 543 HE ARG 67 HE ARG 67 -5.144 11.469 1.345 544 1HH1 ARG 67 2HH2 ARG 67 -7.044 13.423 3.597 545 2HH1 ARG 67 1HH2 ARG 67 -6.703 12.408 4.980 546 1HH2 ARG 67 2HH1 ARG 67 -4.695 10.127 3.172 547 2HH2 ARG 67 1HH1 ARG 67 -5.364 10.528 4.737 548 H VAL 68 HN VAL 68 -7.978 14.889 -3.214 549 HA VAL 68 HA VAL 68 -8.185 12.625 -4.814 550 HB VAL 68 HB VAL 68 -9.920 14.459 -4.214 551 1HG1 VAL 68 1HG1 VAL 68 -9.488 15.612 -6.907 552 2HG1 VAL 68 2HG1 VAL 68 -9.938 16.413 -5.383 553 3HG1 VAL 68 3HG1 VAL 68 -8.231 16.037 -5.720 554 1HG2 VAL 68 1HG2 VAL 68 -9.717 13.179 -6.970 555 2HG2 VAL 68 2HG2 VAL 68 -10.529 12.520 -5.529 556 3HG2 VAL 68 3HG2 VAL 68 -11.193 13.955 -6.347 557 H TRP 69 HN TRP 69 -6.466 15.661 -5.410 558 HA TRP 69 HA TRP 69 -6.110 15.335 -8.219 559 1HB TRP 69 2HB TRP 69 -4.570 16.790 -6.060 560 2HB TRP 69 3HB TRP 69 -4.096 16.844 -7.763 561 HD1 TRP 69 HD1 TRP 69 -7.686 16.795 -7.869 562 HE1 TRP 69 HE1 TRP 69 -8.716 19.116 -8.074 563 HE3 TRP 69 HE3 TRP 69 -3.605 19.605 -6.586 564 HZ2 TRP 69 HZ2 TRP 69 -7.878 21.864 -7.727 565 HZ3 TRP 69 HZ3 TRP 69 -3.759 22.067 -6.535 566 HH2 TRP 69 HH2 TRP 69 -5.883 23.210 -7.101 567 H ILE 70 HN ILE 70 -3.865 14.655 -5.473 568 HA ILE 70 HA ILE 70 -1.802 13.481 -6.915 569 HB ILE 70 HB ILE 70 -2.910 13.098 -4.138 570 1HG1 ILE 70 2HG1 ILE 70 -0.130 13.704 -4.250 571 2HG1 ILE 70 3HG1 ILE 70 -0.922 14.711 -5.485 572 1HG2 ILE 70 1HG2 ILE 70 -2.122 10.867 -4.815 573 2HG2 ILE 70 2HG2 ILE 70 -0.592 11.568 -5.395 574 3HG2 ILE 70 3HG2 ILE 70 -0.981 11.596 -3.659 575 1HD1 ILE 70 1HD1 ILE 70 -1.791 16.046 -3.891 576 2HD1 ILE 70 2HD1 ILE 70 -2.554 14.649 -3.096 577 3HD1 ILE 70 3HD1 ILE 70 -0.891 15.117 -2.668 578 H SER 71 HN SER 71 -5.017 12.253 -6.232 579 HA SER 71 HA SER 71 -4.352 9.486 -6.825 580 1HB SER 71 2HB SER 71 -6.608 11.011 -5.831 581 2HB SER 71 3HB SER 71 -7.129 9.926 -7.143 582 HG SER 71 HG SER 71 -6.561 8.226 -5.990 583 H ILE 72 HN ILE 72 -5.526 12.340 -8.573 584 HA ILE 72 HA ILE 72 -6.442 11.020 -10.913 585 HB ILE 72 HB ILE 72 -5.257 13.790 -10.491 586 1HG1 ILE 72 2HG1 ILE 72 -8.166 13.051 -10.891 587 2HG1 ILE 72 3HG1 ILE 72 -7.423 12.974 -9.276 588 1HG2 ILE 72 1HG2 ILE 72 -7.140 13.526 -12.684 589 2HG2 ILE 72 2HG2 ILE 72 -5.469 14.140 -12.709 590 3HG2 ILE 72 3HG2 ILE 72 -5.781 12.399 -12.908 591 1HD1 ILE 72 1HD1 ILE 72 -7.712 15.200 -9.074 592 2HD1 ILE 72 2HD1 ILE 72 -6.600 15.440 -10.443 593 3HD1 ILE 72 3HD1 ILE 72 -8.350 15.291 -10.734 594 H LEU 73 HN LEU 73 -3.236 12.395 -10.030 595 HA LEU 73 HA LEU 73 -1.928 11.876 -12.464 596 1HB LEU 73 2HB LEU 73 -0.331 11.442 -10.012 597 2HB LEU 73 3HB LEU 73 -0.099 12.607 -11.338 598 HG LEU 73 HG LEU 73 -2.183 12.853 -9.126 599 1HD1 LEU 73 1HD1 LEU 73 0.363 13.154 -8.597 600 2HD1 LEU 73 2HD1 LEU 73 0.216 14.648 -9.553 601 3HD1 LEU 73 3HD1 LEU 73 -0.772 14.428 -8.088 602 1HD2 LEU 73 1HD2 LEU 73 -3.000 14.676 -10.230 603 2HD2 LEU 73 2HD2 LEU 73 -1.388 15.179 -10.792 604 3HD2 LEU 73 3HD2 LEU 73 -2.275 13.903 -11.660 605 H ASN 74 HN ASN 74 -3.114 9.707 -10.027 606 HA ASN 74 HA ASN 74 -1.326 7.524 -10.863 607 1HB ASN 74 2HB ASN 74 -3.428 7.934 -8.742 608 2HB ASN 74 3HB ASN 74 -2.935 6.288 -9.196 609 1HD2 ASN 74 1HD2 ASN 74 -2.416 8.549 -6.916 610 2HD2 ASN 74 2HD2 ASN 74 -0.730 8.264 -6.542 611 H ALA 75 HN ALA 75 -3.661 8.978 -12.451 612 HA ALA 75 HA ALA 75 -5.783 7.316 -12.963 613 1HB ALA 75 1HB ALA 75 -5.811 9.266 -14.209 614 2HB ALA 75 2HB ALA 75 -4.097 9.127 -14.667 615 3HB ALA 75 3HB ALA 75 -5.315 8.101 -15.460 616 H GLY 76 HN GLY 76 -3.004 7.246 -15.237 617 1HA GLY 76 1HA GLY 76 -3.574 4.623 -16.152 618 2HA GLY 76 2HA GLY 76 -2.040 5.497 -16.368 619 H GLN 77 HN GLN 77 -1.527 5.866 -13.516 620 HA GLN 77 HA GLN 77 -0.147 3.411 -13.008 621 1HB GLN 77 2HB GLN 77 0.706 5.542 -12.202 622 2HB GLN 77 3HB GLN 77 -0.770 5.812 -11.245 623 1HG GLN 77 2HG GLN 77 0.676 3.241 -10.780 624 2HG GLN 77 3HG GLN 77 1.482 4.718 -10.209 625 1HE2 GLN 77 1HE2 GLN 77 -2.004 4.736 -10.430 626 2HE2 GLN 77 2HE2 GLN 77 -2.336 4.601 -8.717 Start of MODEL 2 1 1H ALA 0 1HN ALA -1 1.352 -0.828 0.478 2 2H ALA 0 2HN ALA -1 0.000 0.000 0.000 3 3H ALA 0 3HN ALA -1 1.352 0.000 -0.956 4 HA ALA 0 HA ALA -1 2.572 1.268 0.526 5 1HB ALA 0 1HB ALA -1 1.052 2.504 -0.955 6 2HB ALA 0 2HB ALA -1 -0.267 2.326 0.227 7 3HB ALA 0 3HB ALA -1 1.162 3.307 0.630 8 H SER 1 HN SER 1 2.983 0.078 2.459 9 HA SER 1 HA SER 1 2.872 -0.280 4.715 10 1HB SER 1 2HB SER 1 1.529 2.362 4.321 11 2HB SER 1 3HB SER 1 1.324 1.571 5.902 12 HG SER 1 HG SER 1 3.192 2.851 5.872 13 H PHE 2 HN PHE 2 1.819 -2.267 4.694 14 HA PHE 2 HA PHE 2 -1.006 -2.144 5.550 15 1HB PHE 2 2HB PHE 2 -1.297 -4.226 3.985 16 2HB PHE 2 3HB PHE 2 -1.462 -2.588 3.330 17 HD1 PHE 2 HD1 PHE 2 0.618 -5.622 3.423 18 HD2 PHE 2 HD2 PHE 2 0.236 -1.643 1.851 19 HE1 PHE 2 HE1 PHE 2 2.385 -6.112 1.754 20 HE2 PHE 2 HE2 PHE 2 2.003 -2.133 0.181 21 HZ PHE 2 HZ PHE 2 3.078 -4.367 0.133 22 H ILE 3 HN ILE 3 -0.643 -2.891 7.591 23 HA ILE 3 HA ILE 3 0.713 -5.539 7.793 24 HB ILE 3 HB ILE 3 0.826 -4.213 10.299 25 1HG1 ILE 3 2HG1 ILE 3 2.144 -2.181 9.647 26 2HG1 ILE 3 3HG1 ILE 3 1.682 -2.466 7.952 27 1HG2 ILE 3 1HG2 ILE 3 2.802 -4.933 8.114 28 2HG2 ILE 3 2HG2 ILE 3 3.333 -4.168 9.631 29 3HG2 ILE 3 3HG2 ILE 3 2.518 -5.750 9.670 30 1HD1 ILE 3 1HD1 ILE 3 -0.281 -1.417 8.304 31 2HD1 ILE 3 2HD1 ILE 3 -0.690 -2.595 9.573 32 3HD1 ILE 3 3HD1 ILE 3 0.194 -1.108 9.991 33 H ASP 4 HN ASP 4 -0.182 -4.848 10.817 34 HA ASP 4 HA ASP 4 -2.959 -4.917 10.982 35 1HB ASP 4 2HB ASP 4 -2.954 -7.573 11.476 36 2HB ASP 4 3HB ASP 4 -3.380 -6.878 9.897 37 H ASN 5 HN ASN 5 -3.334 -4.471 13.072 38 HA ASN 5 HA ASN 5 -2.808 -4.100 15.289 39 1HB ASN 5 2HB ASN 5 -2.030 -7.006 15.409 40 2HB ASN 5 3HB ASN 5 -3.005 -6.051 16.546 41 1HD2 ASN 5 1HD2 ASN 5 -3.158 -6.641 12.983 42 2HD2 ASN 5 2HD2 ASN 5 -4.830 -7.163 12.973 43 H THR 6 HN THR 6 -0.527 -3.974 13.254 44 HA THR 6 HA THR 6 1.817 -4.943 14.620 45 HB THR 6 HB THR 6 1.723 -4.547 12.180 46 HG1 THR 6 HG1 THR 6 3.585 -3.658 13.894 47 1HG2 THR 6 1HG2 THR 6 0.911 -2.622 11.329 48 2HG2 THR 6 2HG2 THR 6 0.530 -2.108 12.990 49 3HG2 THR 6 3HG2 THR 6 2.091 -1.666 12.257 50 H CYS 7 HN CYS 7 1.071 -4.052 16.782 51 HA CYS 7 HA CYS 7 1.416 -1.157 17.107 52 1HB CYS 7 2HB CYS 7 0.784 -3.443 18.992 53 2HB CYS 7 3HB CYS 7 1.003 -1.771 19.532 54 H ARG 8 HN ARG 8 2.772 -0.629 19.250 55 HA ARG 8 HA ARG 8 5.136 -2.232 19.655 56 1HB ARG 8 2HB ARG 8 5.136 -0.379 17.451 57 2HB ARG 8 3HB ARG 8 6.237 0.224 18.712 58 1HG ARG 8 2HG ARG 8 6.272 -2.685 17.863 59 2HG ARG 8 3HG ARG 8 7.188 -1.452 16.963 60 1HD ARG 8 2HD ARG 8 8.042 -0.756 19.360 61 2HD ARG 8 3HD ARG 8 7.540 -2.402 19.805 62 HE ARG 8 HE ARG 8 9.489 -1.826 17.610 63 1HH1 ARG 8 2HH2 ARG 8 8.370 -3.663 20.416 64 2HH1 ARG 8 1HH2 ARG 8 9.700 -4.799 20.374 65 1HH2 ARG 8 2HH1 ARG 8 11.245 -3.327 17.555 66 2HH2 ARG 8 1HH1 ARG 8 11.339 -4.607 18.743 67 H GLY 9 HN GLY 9 2.960 0.318 20.297 68 1HA GLY 9 1HA GLY 9 4.613 1.165 22.637 69 2HA GLY 9 2HA GLY 9 3.509 2.250 21.761 70 H VAL 10 HN VAL 10 1.750 -0.364 21.495 71 HA VAL 10 HA VAL 10 -0.248 0.242 23.265 72 HB VAL 10 HB VAL 10 0.697 -2.337 22.031 73 1HG1 VAL 10 1HG1 VAL 10 -1.270 -1.984 24.278 74 2HG1 VAL 10 2HG1 VAL 10 -1.658 -3.147 22.988 75 3HG1 VAL 10 3HG1 VAL 10 -0.166 -3.338 23.940 76 1HG2 VAL 10 1HG2 VAL 10 -1.731 -2.087 21.129 77 2HG2 VAL 10 2HG2 VAL 10 -1.652 -0.437 21.792 78 3HG2 VAL 10 3HG2 VAL 10 -0.499 -0.947 20.535 79 H MET 11 HN MET 11 2.460 -2.061 23.882 80 HA MET 11 HA MET 11 1.822 -2.882 26.435 81 1HB MET 11 2HB MET 11 4.225 -3.200 26.772 82 2HB MET 11 3HB MET 11 3.785 -3.633 25.102 83 1HG MET 11 2HG MET 11 5.357 -2.197 24.404 84 2HG MET 11 3HG MET 11 4.316 -0.890 24.992 85 1HE MET 11 1HE MET 11 5.246 0.918 26.323 86 2HE MET 11 2HE MET 11 6.968 0.930 26.771 87 3HE MET 11 3HE MET 11 6.489 0.618 25.085 88 H GLY 12 HN GLY 12 2.891 0.300 25.366 89 1HA GLY 12 1HA GLY 12 3.355 1.198 28.133 90 2HA GLY 12 2HA GLY 12 3.589 2.143 26.644 91 H ASN 13 HN ASN 13 1.256 2.108 25.337 92 HA ASN 13 HA ASN 13 -0.341 4.008 26.499 93 1HB ASN 13 2HB ASN 13 -1.436 1.731 24.818 94 2HB ASN 13 3HB ASN 13 -2.025 3.405 24.905 95 1HD2 ASN 13 1HD2 ASN 13 -0.412 5.137 24.248 96 2HD2 ASN 13 2HD2 ASN 13 0.636 4.778 22.893 97 H ARG 14 HN ARG 14 -1.665 0.688 26.227 98 HA ARG 14 HA ARG 14 -2.890 -0.570 27.695 99 1HB ARG 14 2HB ARG 14 -0.992 0.919 29.411 100 2HB ARG 14 3HB ARG 14 -2.457 0.348 30.246 101 1HG ARG 14 2HG ARG 14 -2.024 -1.914 29.716 102 2HG ARG 14 3HG ARG 14 -0.897 -1.486 28.407 103 1HD ARG 14 2HD ARG 14 0.802 -1.661 29.869 104 2HD ARG 14 3HD ARG 14 0.128 -0.283 30.764 105 HE ARG 14 HE ARG 14 -1.333 -2.521 31.585 106 1HH1 ARG 14 2HH2 ARG 14 2.033 -1.439 31.586 107 2HH1 ARG 14 1HH2 ARG 14 2.457 -2.316 33.039 108 1HH2 ARG 14 2HH1 ARG 14 -0.772 -3.680 33.504 109 2HH2 ARG 14 1HH1 ARG 14 0.858 -3.593 34.133 110 H ASP 15 HN ASP 15 -3.542 2.414 26.803 111 HA ASP 15 HA ASP 15 -6.042 2.516 28.406 112 1HB ASP 15 2HB ASP 15 -4.177 4.825 27.750 113 2HB ASP 15 3HB ASP 15 -5.824 5.015 28.390 114 H ILE 16 HN ILE 16 -4.317 4.020 25.610 115 HA ILE 16 HA ILE 16 -6.583 4.792 24.164 116 HB ILE 16 HB ILE 16 -4.077 3.692 22.868 117 1HG1 ILE 16 2HG1 ILE 16 -4.449 6.332 24.346 118 2HG1 ILE 16 3HG1 ILE 16 -3.332 5.019 24.788 119 1HG2 ILE 16 1HG2 ILE 16 -5.383 6.290 22.164 120 2HG2 ILE 16 2HG2 ILE 16 -4.651 5.059 21.107 121 3HG2 ILE 16 3HG2 ILE 16 -6.283 4.805 21.772 122 1HD1 ILE 16 1HD1 ILE 16 -2.927 7.184 22.919 123 2HD1 ILE 16 2HD1 ILE 16 -1.776 5.929 23.437 124 3HD1 ILE 16 3HD1 ILE 16 -2.846 5.635 22.046 125 H TYR 17 HN TYR 17 -5.098 1.609 24.579 126 HA TYR 17 HA TYR 17 -6.390 0.322 22.383 127 1HB TYR 17 2HB TYR 17 -4.410 -0.455 23.828 128 2HB TYR 17 3HB TYR 17 -5.626 -0.967 25.011 129 HD1 TYR 17 HD1 TYR 17 -7.642 -2.386 23.881 130 HD2 TYR 17 HD2 TYR 17 -3.632 -2.070 22.374 131 HE1 TYR 17 HE1 TYR 17 -7.935 -4.522 22.655 132 HE2 TYR 17 HE2 TYR 17 -3.925 -4.206 21.148 133 HH TYR 17 HH TYR 17 -6.137 -6.441 21.728 134 H LYS 18 HN LYS 18 -7.108 -0.053 25.902 135 HA LYS 18 HA LYS 18 -9.507 -1.338 25.766 136 1HB LYS 18 2HB LYS 18 -8.659 0.950 27.577 137 2HB LYS 18 3HB LYS 18 -10.128 -0.019 27.846 138 1HG LYS 18 2HG LYS 18 -8.868 -1.579 28.875 139 2HG LYS 18 3HG LYS 18 -8.009 -1.857 27.341 140 1HD LYS 18 2HD LYS 18 -6.209 -0.567 27.958 141 2HD LYS 18 3HD LYS 18 -7.211 0.566 28.897 142 1HE LYS 18 2HE LYS 18 -7.423 -1.956 30.187 143 2HE LYS 18 3HE LYS 18 -5.700 -1.728 29.816 144 1HZ LYS 18 1HZ LYS 18 -6.336 -0.795 31.933 145 2HZ LYS 18 2HZ LYS 18 -5.784 0.371 30.905 146 3HZ LYS 18 3HZ LYS 18 -7.401 0.226 31.196 147 H LYS 19 HN LYS 19 -9.052 2.226 25.491 148 HA LYS 19 HA LYS 19 -11.794 2.836 25.096 149 1HB LYS 19 2HB LYS 19 -10.153 4.536 25.690 150 2HB LYS 19 3HB LYS 19 -9.264 4.254 24.174 151 1HG LYS 19 2HG LYS 19 -11.605 4.763 23.055 152 2HG LYS 19 3HG LYS 19 -11.944 5.572 24.604 153 1HD LYS 19 2HD LYS 19 -10.966 7.114 22.880 154 2HD LYS 19 3HD LYS 19 -9.968 6.985 24.348 155 1HE LYS 19 2HE LYS 19 -8.250 6.012 23.233 156 2HE LYS 19 3HE LYS 19 -9.335 4.950 22.311 157 1HZ LYS 19 1HZ LYS 19 -8.924 7.795 21.728 158 2HZ LYS 19 2HZ LYS 19 -8.133 6.566 20.964 159 3HZ LYS 19 3HZ LYS 19 -9.770 6.707 20.823 160 H VAL 20 HN VAL 20 -9.150 2.729 22.636 161 HA VAL 20 HA VAL 20 -10.594 2.994 20.338 162 HB VAL 20 HB VAL 20 -8.287 1.126 20.978 163 1HG1 VAL 20 1HG1 VAL 20 -8.430 1.789 18.193 164 2HG1 VAL 20 2HG1 VAL 20 -8.521 0.180 18.947 165 3HG1 VAL 20 3HG1 VAL 20 -10.007 1.120 18.674 166 1HG2 VAL 20 1HG2 VAL 20 -8.357 3.836 20.911 167 2HG2 VAL 20 2HG2 VAL 20 -6.939 2.893 20.394 168 3HG2 VAL 20 3HG2 VAL 20 -8.089 3.506 19.183 169 H VAL 21 HN VAL 21 -9.775 -0.285 21.607 170 HA VAL 21 HA VAL 21 -11.470 -1.781 20.050 171 HB VAL 21 HB VAL 21 -9.838 -2.618 21.771 172 1HG1 VAL 21 1HG1 VAL 21 -10.250 -1.451 23.748 173 2HG1 VAL 21 2HG1 VAL 21 -12.017 -1.546 23.558 174 3HG1 VAL 21 3HG1 VAL 21 -11.099 -2.981 24.075 175 1HG2 VAL 21 1HG2 VAL 21 -12.686 -3.640 21.620 176 2HG2 VAL 21 2HG2 VAL 21 -11.225 -4.287 20.834 177 3HG2 VAL 21 3HG2 VAL 21 -11.457 -4.490 22.587 178 H ARG 22 HN ARG 22 -12.310 0.340 22.751 179 HA ARG 22 HA ARG 22 -15.000 -0.660 23.057 180 1HB ARG 22 2HB ARG 22 -13.437 0.768 24.654 181 2HB ARG 22 3HB ARG 22 -14.190 2.138 23.801 182 1HG ARG 22 2HG ARG 22 -15.636 1.758 25.635 183 2HG ARG 22 3HG ARG 22 -16.442 0.926 24.283 184 1HD ARG 22 2HD ARG 22 -15.650 -1.215 25.006 185 2HD ARG 22 3HD ARG 22 -14.509 -0.483 26.155 186 HE ARG 22 HE ARG 22 -17.319 -1.032 26.590 187 1HH1 ARG 22 2HH2 ARG 22 -14.633 1.118 27.408 188 2HH1 ARG 22 1HH2 ARG 22 -15.293 1.575 28.962 189 1HH2 ARG 22 2HH1 ARG 22 -18.190 -0.427 28.643 190 2HH2 ARG 22 1HH1 ARG 22 -17.321 0.695 29.666 191 H VAL 23 HN VAL 23 -13.394 1.812 21.082 192 HA VAL 23 HA VAL 23 -15.871 3.028 20.196 193 HB VAL 23 HB VAL 23 -13.235 3.779 20.213 194 1HG1 VAL 23 1HG1 VAL 23 -12.562 3.955 17.820 195 2HG1 VAL 23 2HG1 VAL 23 -12.673 2.262 18.360 196 3HG1 VAL 23 3HG1 VAL 23 -13.972 2.968 17.368 197 1HG2 VAL 23 1HG2 VAL 23 -14.873 5.027 18.069 198 2HG2 VAL 23 2HG2 VAL 23 -15.669 4.908 19.657 199 3HG2 VAL 23 3HG2 VAL 23 -14.116 5.764 19.501 200 H CYS 24 HN CYS 24 -14.029 0.202 19.376 201 HA CYS 24 HA CYS 24 -14.996 0.017 16.639 202 1HB CYS 24 2HB CYS 24 -13.791 -2.133 18.405 203 2HB CYS 24 3HB CYS 24 -13.887 -2.123 16.636 204 H GLU 25 HN GLU 25 -15.736 -1.538 19.797 205 HA GLU 25 HA GLU 25 -17.749 -3.279 18.812 206 1HB GLU 25 2HB GLU 25 -18.324 -3.596 21.110 207 2HB GLU 25 3HB GLU 25 -16.566 -3.318 21.074 208 1HG GLU 25 2HG GLU 25 -16.882 -1.635 22.536 209 2HG GLU 25 3HG GLU 25 -17.714 -0.750 21.239 210 H ASP 26 HN ASP 26 -17.761 0.141 19.749 211 HA ASP 26 HA ASP 26 -20.596 0.441 19.920 212 1HB ASP 26 2HB ASP 26 -18.667 1.998 20.704 213 2HB ASP 26 3HB ASP 26 -18.681 2.605 19.034 214 H CYS 27 HN CYS 27 -18.275 1.300 17.287 215 HA CYS 27 HA CYS 27 -20.272 1.980 15.395 216 1HB CYS 27 2HB CYS 27 -18.497 1.884 13.781 217 2HB CYS 27 3HB CYS 27 -17.845 2.557 15.284 218 H THR 28 HN THR 28 -18.272 -1.026 15.605 219 HA THR 28 HA THR 28 -19.484 -2.511 13.633 220 HB THR 28 HB THR 28 -17.550 -3.125 15.205 221 HG1 THR 28 HG1 THR 28 -17.806 -5.030 14.375 222 1HG2 THR 28 1HG2 THR 28 -18.268 -4.544 17.156 223 2HG2 THR 28 2HG2 THR 28 -18.694 -2.826 17.336 224 3HG2 THR 28 3HG2 THR 28 -19.942 -4.008 16.874 225 H ASN 29 HN ASN 29 -20.819 -1.532 16.731 226 HA ASN 29 HA ASN 29 -23.009 -3.448 16.646 227 1HB ASN 29 2HB ASN 29 -22.768 -2.899 18.825 228 2HB ASN 29 3HB ASN 29 -21.969 -1.358 18.447 229 1HD2 ASN 29 1HD2 ASN 29 -23.184 0.543 18.257 230 2HD2 ASN 29 2HD2 ASN 29 -24.879 0.626 18.688 231 H ILE 30 HN ILE 30 -22.446 -0.030 15.796 232 HA ILE 30 HA ILE 30 -25.072 0.810 15.372 233 HB ILE 30 HB ILE 30 -22.377 1.521 14.313 234 1HG1 ILE 30 2HG1 ILE 30 -23.083 3.737 15.111 235 2HG1 ILE 30 3HG1 ILE 30 -24.734 3.130 15.384 236 1HG2 ILE 30 1HG2 ILE 30 -23.581 3.249 12.813 237 2HG2 ILE 30 2HG2 ILE 30 -23.487 1.577 12.211 238 3HG2 ILE 30 3HG2 ILE 30 -24.998 2.179 12.933 239 1HD1 ILE 30 1HD1 ILE 30 -23.855 2.891 17.520 240 2HD1 ILE 30 2HD1 ILE 30 -23.448 1.299 16.835 241 3HD1 ILE 30 3HD1 ILE 30 -22.209 2.573 16.921 242 H PHE 31 HN PHE 31 -22.837 -0.768 13.019 243 HA PHE 31 HA PHE 31 -25.092 -1.140 11.162 244 1HB PHE 31 2HB PHE 31 -22.102 -1.509 11.055 245 2HB PHE 31 3HB PHE 31 -23.143 -2.266 9.837 246 HD1 PHE 31 HD1 PHE 31 -25.080 -0.479 8.990 247 HD2 PHE 31 HD2 PHE 31 -21.128 0.470 10.382 248 HE1 PHE 31 HE1 PHE 31 -25.143 1.649 7.718 249 HE2 PHE 31 HE2 PHE 31 -21.191 2.597 9.109 250 HZ PHE 31 HZ PHE 31 -23.198 3.187 7.778 251 H ARG 32 HN ARG 32 -23.409 -2.818 13.677 252 HA ARG 32 HA ARG 32 -23.690 -4.920 14.540 253 1HB ARG 32 2HB ARG 32 -26.126 -4.458 12.939 254 2HB ARG 32 3HB ARG 32 -25.719 -6.177 13.154 255 1HG ARG 32 2HG ARG 32 -25.258 -4.935 15.666 256 2HG ARG 32 3HG ARG 32 -26.818 -4.308 15.081 257 1HD ARG 32 2HD ARG 32 -27.815 -6.393 15.079 258 2HD ARG 32 3HD ARG 32 -26.285 -7.243 14.773 259 HE ARG 32 HE ARG 32 -25.842 -6.332 17.262 260 1HH1 ARG 32 2HH2 ARG 32 -28.689 -7.847 15.813 261 2HH1 ARG 32 1HH2 ARG 32 -29.224 -8.587 17.305 262 1HH2 ARG 32 2HH1 ARG 32 -26.549 -7.310 19.233 263 2HH2 ARG 32 1HH1 ARG 32 -28.004 -8.280 19.255 264 H LEU 33 HN LEU 33 -22.033 -4.279 12.100 265 HA LEU 33 HA LEU 33 -22.096 -6.832 10.630 266 1HB LEU 33 2HB LEU 33 -20.383 -4.333 10.338 267 2HB LEU 33 3HB LEU 33 -20.334 -5.744 9.255 268 HG LEU 33 HG LEU 33 -22.867 -4.157 9.831 269 1HD1 LEU 33 1HD1 LEU 33 -22.358 -2.689 8.164 270 2HD1 LEU 33 2HD1 LEU 33 -20.675 -3.173 8.483 271 3HD1 LEU 33 3HD1 LEU 33 -21.588 -3.946 7.166 272 1HD2 LEU 33 1HD2 LEU 33 -22.400 -6.679 8.667 273 2HD2 LEU 33 2HD2 LEU 33 -23.891 -5.712 8.553 274 3HD2 LEU 33 3HD2 LEU 33 -22.644 -5.577 7.290 275 HA PRO 34 HA PRO 34 -19.046 -8.557 13.338 276 1HB PRO 34 2HB PRO 34 -18.572 -10.856 11.956 277 2HB PRO 34 3HB PRO 34 -20.139 -10.551 12.775 278 1HG PRO 34 2HG PRO 34 -19.463 -10.063 9.860 279 2HG PRO 34 3HG PRO 34 -20.855 -10.986 10.515 280 1HD PRO 34 2HD PRO 34 -21.097 -8.367 9.799 281 2HD PRO 34 3HD PRO 34 -21.913 -8.986 11.267 282 H GLY 35 HN GLY 35 -18.629 -8.087 9.829 283 1HA GLY 35 1HA GLY 35 -15.691 -8.217 10.110 284 2HA GLY 35 2HA GLY 35 -16.615 -8.095 8.595 285 H LEU 36 HN LEU 36 -16.173 -6.218 11.652 286 HA LEU 36 HA LEU 36 -15.404 -3.864 10.090 287 1HB LEU 36 2HB LEU 36 -17.981 -3.968 10.233 288 2HB LEU 36 3HB LEU 36 -17.769 -3.637 11.969 289 HG LEU 36 HG LEU 36 -16.162 -1.714 11.040 290 1HD1 LEU 36 1HD1 LEU 36 -18.150 -1.317 8.921 291 2HD1 LEU 36 2HD1 LEU 36 -16.376 -1.198 8.848 292 3HD1 LEU 36 3HD1 LEU 36 -17.171 -2.779 8.655 293 1HD2 LEU 36 1HD2 LEU 36 -17.788 -0.581 12.114 294 2HD2 LEU 36 2HD2 LEU 36 -18.763 -0.634 10.626 295 3HD2 LEU 36 3HD2 LEU 36 -18.934 -1.916 11.849 296 H ASP 37 HN ASP 37 -16.521 -4.972 13.340 297 HA ASP 37 HA ASP 37 -15.188 -3.193 14.953 298 1HB ASP 37 2HB ASP 37 -15.006 -5.106 16.583 299 2HB ASP 37 3HB ASP 37 -16.622 -4.893 15.875 300 H GLY 38 HN GLY 38 -13.814 -6.298 13.715 301 1HA GLY 38 1HA GLY 38 -11.267 -6.147 14.744 302 2HA GLY 38 2HA GLY 38 -11.638 -6.802 13.133 303 H MET 39 HN MET 39 -12.138 -4.924 11.456 304 HA MET 39 HA MET 39 -9.819 -3.644 10.789 305 1HB MET 39 2HB MET 39 -12.722 -3.055 10.302 306 2HB MET 39 3HB MET 39 -11.516 -1.848 9.796 307 1HG MET 39 2HG MET 39 -10.299 -3.589 8.544 308 2HG MET 39 3HG MET 39 -11.492 -4.796 9.051 309 1HE MET 39 1HE MET 39 -13.991 -3.696 9.075 310 2HE MET 39 2HE MET 39 -14.071 -2.049 8.404 311 3HE MET 39 3HE MET 39 -14.754 -3.416 7.491 312 H CYS 40 HN CYS 40 -12.534 -2.036 12.548 313 HA CYS 40 HA CYS 40 -11.444 0.403 13.081 314 1HB CYS 40 2HB CYS 40 -13.639 -0.190 13.850 315 2HB CYS 40 3HB CYS 40 -12.991 -1.447 14.917 316 H ARG 41 HN ARG 41 -10.627 -2.683 14.691 317 HA ARG 41 HA ARG 41 -8.277 -1.294 15.888 318 1HB ARG 41 2HB ARG 41 -8.650 -3.267 17.656 319 2HB ARG 41 3HB ARG 41 -9.475 -1.698 17.815 320 1HG ARG 41 2HG ARG 41 -11.232 -3.255 18.050 321 2HG ARG 41 3HG ARG 41 -11.333 -2.785 16.336 322 1HD ARG 41 2HD ARG 41 -11.401 -5.102 16.155 323 2HD ARG 41 3HD ARG 41 -9.656 -4.805 16.003 324 HE ARG 41 HE ARG 41 -9.630 -5.246 18.548 325 1HH1 ARG 41 2HH2 ARG 41 -11.893 -6.705 16.256 326 2HH1 ARG 41 1HH2 ARG 41 -12.131 -8.156 17.205 327 1HH2 ARG 41 2HH1 ARG 41 -9.945 -7.162 19.801 328 2HH2 ARG 41 1HH1 ARG 41 -11.021 -8.416 19.226 329 H ASN 42 HN ASN 42 -8.224 -2.469 13.344 330 HA ASN 42 HA ASN 42 -7.147 -5.186 13.694 331 1HB ASN 42 2HB ASN 42 -8.613 -4.736 11.792 332 2HB ASN 42 3HB ASN 42 -7.550 -3.419 11.252 333 1HD2 ASN 42 1HD2 ASN 42 -5.023 -4.465 11.550 334 2HD2 ASN 42 2HD2 ASN 42 -4.817 -5.855 10.507 335 H ARG 43 HN ARG 43 -5.837 -2.838 11.400 336 HA ARG 43 HA ARG 43 -3.147 -3.508 12.011 337 1HB ARG 43 2HB ARG 43 -3.038 -1.014 10.816 338 2HB ARG 43 3HB ARG 43 -3.130 -2.569 9.954 339 1HG ARG 43 2HG ARG 43 -5.695 -1.360 10.942 340 2HG ARG 43 3HG ARG 43 -4.917 -0.616 9.524 341 1HD ARG 43 2HD ARG 43 -4.782 -2.911 8.487 342 2HD ARG 43 3HD ARG 43 -5.738 -3.529 9.851 343 HE ARG 43 HE ARG 43 -7.339 -1.547 8.989 344 1HH1 ARG 43 2HH2 ARG 43 -5.547 -4.032 7.224 345 2HH1 ARG 43 1HH2 ARG 43 -6.697 -4.122 5.910 346 1HH2 ARG 43 2HH1 ARG 43 -8.858 -1.666 7.252 347 2HH2 ARG 43 1HH1 ARG 43 -8.585 -2.773 5.925 348 H CYS 44 HN CYS 44 -3.344 -3.317 14.424 349 HA CYS 44 HA CYS 44 -3.130 -2.155 16.408 350 1HB CYS 44 2HB CYS 44 -0.863 -2.161 15.433 351 2HB CYS 44 3HB CYS 44 -1.210 -0.625 14.621 352 H PHE 45 HN PHE 45 -5.192 -1.130 14.429 353 HA PHE 45 HA PHE 45 -6.759 0.549 14.517 354 1HB PHE 45 2HB PHE 45 -5.094 2.017 16.557 355 2HB PHE 45 3HB PHE 45 -6.854 2.009 16.350 356 HD1 PHE 45 HD1 PHE 45 -5.685 1.640 19.012 357 HD2 PHE 45 HD2 PHE 45 -6.483 -1.248 15.934 358 HE1 PHE 45 HE1 PHE 45 -5.875 -0.138 20.730 359 HE2 PHE 45 HE2 PHE 45 -6.673 -3.026 17.652 360 HZ PHE 45 HZ PHE 45 -6.370 -2.472 20.050 361 H TYR 46 HN TYR 46 -4.813 0.534 12.547 362 HA TYR 46 HA TYR 46 -4.444 3.453 12.123 363 1HB TYR 46 2HB TYR 46 -2.324 2.224 12.861 364 2HB TYR 46 3HB TYR 46 -2.410 1.362 11.315 365 HD1 TYR 46 HD1 TYR 46 -1.640 4.528 12.979 366 HD2 TYR 46 HD2 TYR 46 -2.117 2.579 9.181 367 HE1 TYR 46 HE1 TYR 46 -0.464 6.407 11.866 368 HE2 TYR 46 HE2 TYR 46 -0.942 4.458 8.068 369 HH TYR 46 HH TYR 46 -0.578 7.196 8.843 370 H ASN 47 HN ASN 47 -6.377 3.331 10.840 371 HA ASN 47 HA ASN 47 -5.866 2.823 8.081 372 1HB ASN 47 2HB ASN 47 -6.418 0.492 9.436 373 2HB ASN 47 3HB ASN 47 -8.034 0.989 8.889 374 1HD2 ASN 47 1HD2 ASN 47 -8.165 1.699 6.521 375 2HD2 ASN 47 2HD2 ASN 47 -7.246 0.756 5.367 376 H GLU 48 HN GLU 48 -6.957 4.796 10.059 377 HA GLU 48 HA GLU 48 -8.620 6.366 10.122 378 1HB GLU 48 2HB GLU 48 -9.351 7.098 8.085 379 2HB GLU 48 3HB GLU 48 -8.137 5.942 7.489 380 1HG GLU 48 2HG GLU 48 -9.790 4.851 6.420 381 2HG GLU 48 3HG GLU 48 -10.455 4.411 8.008 382 H TRP 49 HN TRP 49 -9.314 3.012 9.691 383 HA TRP 49 HA TRP 49 -12.077 2.852 9.744 384 1HB TRP 49 2HB TRP 49 -9.872 1.243 11.006 385 2HB TRP 49 3HB TRP 49 -11.560 0.835 11.344 386 HD1 TRP 49 HD1 TRP 49 -9.074 -0.565 9.434 387 HE1 TRP 49 HE1 TRP 49 -9.817 -1.571 7.215 388 HE3 TRP 49 HE3 TRP 49 -13.581 1.809 8.942 389 HZ2 TRP 49 HZ2 TRP 49 -12.089 -1.376 5.434 390 HZ3 TRP 49 HZ3 TRP 49 -15.005 1.374 6.974 391 HH2 TRP 49 HH2 TRP 49 -14.276 -0.211 5.215 392 H PHE 50 HN PHE 50 -10.067 4.453 11.982 393 HA PHE 50 HA PHE 50 -11.744 4.051 14.323 394 1HB PHE 50 2HB PHE 50 -9.174 4.769 13.981 395 2HB PHE 50 3HB PHE 50 -9.899 6.383 14.079 396 HD1 PHE 50 HD1 PHE 50 -10.321 3.093 15.865 397 HD2 PHE 50 HD2 PHE 50 -9.800 7.346 16.172 398 HE1 PHE 50 HE1 PHE 50 -10.372 2.921 18.338 399 HE2 PHE 50 HE2 PHE 50 -9.851 7.173 18.645 400 HZ PHE 50 HZ PHE 50 -10.137 4.961 19.729 401 H LEU 51 HN LEU 51 -11.574 6.261 11.587 402 HA LEU 51 HA LEU 51 -13.282 8.267 12.825 403 1HB LEU 51 2HB LEU 51 -11.545 8.771 11.087 404 2HB LEU 51 3HB LEU 51 -12.524 7.870 9.905 405 HG LEU 51 HG LEU 51 -14.263 9.691 11.274 406 1HD1 LEU 51 1HD1 LEU 51 -11.876 11.090 10.012 407 2HD1 LEU 51 2HD1 LEU 51 -13.239 11.826 10.889 408 3HD1 LEU 51 3HD1 LEU 51 -12.036 10.853 11.769 409 1HD2 LEU 51 1HD2 LEU 51 -14.430 10.653 8.944 410 2HD2 LEU 51 2HD2 LEU 51 -13.091 9.582 8.464 411 3HD2 LEU 51 3HD2 LEU 51 -14.635 8.886 9.014 412 H ILE 52 HN ILE 52 -13.623 5.478 10.639 413 HA ILE 52 HA ILE 52 -16.282 5.982 9.790 414 HB ILE 52 HB ILE 52 -14.887 3.314 10.241 415 1HG1 ILE 52 2HG1 ILE 52 -14.437 3.620 7.720 416 2HG1 ILE 52 3HG1 ILE 52 -14.832 5.336 7.976 417 1HG2 ILE 52 1HG2 ILE 52 -17.478 4.162 9.117 418 2HG2 ILE 52 2HG2 ILE 52 -16.518 3.164 7.999 419 3HG2 ILE 52 3HG2 ILE 52 -16.929 2.544 9.616 420 1HD1 ILE 52 1HD1 ILE 52 -12.340 4.080 8.415 421 2HD1 ILE 52 2HD1 ILE 52 -12.808 5.728 8.896 422 3HD1 ILE 52 3HD1 ILE 52 -13.010 4.377 10.037 423 H CYS 53 HN CYS 53 -14.940 4.290 12.649 424 HA CYS 53 HA CYS 53 -17.531 3.459 13.617 425 1HB CYS 53 2HB CYS 53 -14.793 3.681 14.904 426 2HB CYS 53 3HB CYS 53 -16.214 3.004 15.716 427 H LEU 54 HN LEU 54 -15.183 6.026 14.572 428 HA LEU 54 HA LEU 54 -16.718 7.165 16.628 429 1HB LEU 54 2HB LEU 54 -14.476 7.981 14.865 430 2HB LEU 54 3HB LEU 54 -15.420 9.320 15.560 431 HG LEU 54 HG LEU 54 -15.177 7.692 17.742 432 1HD1 LEU 54 1HD1 LEU 54 -13.734 6.112 16.466 433 2HD1 LEU 54 2HD1 LEU 54 -12.586 7.436 16.155 434 3HD1 LEU 54 3HD1 LEU 54 -12.859 6.868 17.820 435 1HD2 LEU 54 1HD2 LEU 54 -14.693 10.047 17.808 436 2HD2 LEU 54 2HD2 LEU 54 -13.216 9.210 18.345 437 3HD2 LEU 54 3HD2 LEU 54 -13.320 9.860 16.691 438 H LYS 55 HN LYS 55 -17.044 7.347 13.128 439 HA LYS 55 HA LYS 55 -18.705 9.691 13.074 440 1HB LYS 55 2HB LYS 55 -17.664 7.689 11.219 441 2HB LYS 55 3HB LYS 55 -19.357 8.105 10.858 442 1HG LYS 55 2HG LYS 55 -18.760 10.137 10.075 443 2HG LYS 55 3HG LYS 55 -17.822 10.487 11.546 444 1HD LYS 55 2HD LYS 55 -15.897 10.138 10.428 445 2HD LYS 55 3HD LYS 55 -16.425 8.494 9.997 446 1HE LYS 55 2HE LYS 55 -15.916 10.072 8.042 447 2HE LYS 55 3HE LYS 55 -17.489 9.247 8.002 448 1HZ LYS 55 1HZ LYS 55 -16.888 12.024 8.311 449 2HZ LYS 55 2HZ LYS 55 -18.230 11.290 7.694 450 3HZ LYS 55 3HZ LYS 55 -18.061 11.462 9.325 451 H ALA 56 HN ALA 56 -19.345 6.158 13.146 452 HA ALA 56 HA ALA 56 -22.214 6.508 13.095 453 1HB ALA 56 1HB ALA 56 -21.440 3.985 14.219 454 2HB ALA 56 2HB ALA 56 -22.071 4.327 12.590 455 3HB ALA 56 3HB ALA 56 -20.318 4.375 12.894 456 H ALA 57 HN ALA 57 -19.884 7.158 15.422 457 HA ALA 57 HA ALA 57 -21.692 6.456 17.672 458 1HB ALA 57 1HB ALA 57 -18.739 7.016 17.400 459 2HB ALA 57 2HB ALA 57 -19.547 7.222 18.972 460 3HB ALA 57 3HB ALA 57 -19.559 5.635 18.167 461 H ASN 58 HN ASN 58 -20.907 8.999 15.587 462 HA ASN 58 HA ASN 58 -21.566 11.198 15.599 463 1HB ASN 58 2HB ASN 58 -23.546 10.226 16.898 464 2HB ASN 58 3HB ASN 58 -22.701 10.744 18.373 465 1HD2 ASN 58 1HD2 ASN 58 -22.226 12.619 15.462 466 2HD2 ASN 58 2HD2 ASN 58 -23.228 13.982 15.913 467 H ARG 59 HN ARG 59 -19.336 11.773 15.639 468 HA ARG 59 HA ARG 59 -18.617 13.472 17.819 469 1HB ARG 59 2HB ARG 59 -17.758 10.651 17.942 470 2HB ARG 59 3HB ARG 59 -16.419 11.819 18.060 471 1HG ARG 59 2HG ARG 59 -17.063 12.496 20.124 472 2HG ARG 59 3HG ARG 59 -18.770 12.623 19.634 473 1HD ARG 59 2HD ARG 59 -18.687 9.994 19.666 474 2HD ARG 59 3HD ARG 59 -17.259 10.234 20.696 475 HE ARG 59 HE ARG 59 -19.729 11.673 21.447 476 1HH1 ARG 59 2HH2 ARG 59 -17.511 8.963 21.939 477 2HH1 ARG 59 1HH2 ARG 59 -18.095 8.600 23.548 478 1HH2 ARG 59 2HH1 ARG 59 -20.499 11.193 23.572 479 2HH2 ARG 59 1HH1 ARG 59 -19.798 9.872 24.479 480 H GLU 60 HN GLU 60 -16.895 11.255 15.540 481 HA GLU 60 HA GLU 60 -15.098 11.801 14.156 482 1HB GLU 60 2HB GLU 60 -17.273 11.997 12.870 483 2HB GLU 60 3HB GLU 60 -17.184 13.756 13.126 484 1HG GLU 60 2HG GLU 60 -15.209 13.963 11.849 485 2HG GLU 60 3HG GLU 60 -14.841 12.228 11.969 486 H ASP 61 HN ASP 61 -14.857 13.208 16.624 487 HA ASP 61 HA ASP 61 -13.495 15.650 15.624 488 1HB ASP 61 2HB ASP 61 -15.695 15.434 17.606 489 2HB ASP 61 3HB ASP 61 -14.313 16.434 18.103 490 H GLU 62 HN GLU 62 -13.899 13.126 18.113 491 HA GLU 62 HA GLU 62 -11.462 13.858 19.507 492 1HB GLU 62 2HB GLU 62 -12.879 11.187 19.653 493 2HB GLU 62 3HB GLU 62 -11.961 12.034 20.920 494 1HG GLU 62 2HG GLU 62 -14.387 13.361 19.725 495 2HG GLU 62 3HG GLU 62 -14.611 12.073 20.928 496 H ILE 63 HN ILE 63 -11.736 12.931 16.466 497 HA ILE 63 HA ILE 63 -10.039 10.593 16.353 498 HB ILE 63 HB ILE 63 -10.537 12.605 14.139 499 1HG1 ILE 63 2HG1 ILE 63 -12.609 11.694 15.550 500 2HG1 ILE 63 3HG1 ILE 63 -12.672 11.765 13.773 501 1HG2 ILE 63 1HG2 ILE 63 -10.565 10.318 12.883 502 2HG2 ILE 63 2HG2 ILE 63 -8.998 10.958 13.434 503 3HG2 ILE 63 3HG2 ILE 63 -9.809 9.673 14.360 504 1HD1 ILE 63 1HD1 ILE 63 -12.066 9.419 13.599 505 2HD1 ILE 63 2HD1 ILE 63 -11.778 9.319 15.353 506 3HD1 ILE 63 3HD1 ILE 63 -13.430 9.558 14.734 507 H GLU 64 HN GLU 64 -9.592 14.129 16.152 508 HA GLU 64 HA GLU 64 -6.950 14.203 15.226 509 1HB GLU 64 2HB GLU 64 -8.849 15.986 16.395 510 2HB GLU 64 3HB GLU 64 -7.317 16.179 17.281 511 1HG GLU 64 2HG GLU 64 -6.114 16.448 15.135 512 2HG GLU 64 3HG GLU 64 -7.644 16.258 14.252 513 H LYS 65 HN LYS 65 -8.089 14.182 18.654 514 HA LYS 65 HA LYS 65 -5.455 13.864 19.726 515 1HB LYS 65 2HB LYS 65 -6.721 13.254 21.814 516 2HB LYS 65 3HB LYS 65 -7.239 14.789 21.076 517 1HG LYS 65 2HG LYS 65 -9.301 13.976 20.539 518 2HG LYS 65 3HG LYS 65 -8.657 12.385 20.068 519 1HD LYS 65 2HD LYS 65 -9.296 11.529 22.051 520 2HD LYS 65 3HD LYS 65 -8.276 12.715 22.899 521 1HE LYS 65 2HE LYS 65 -10.289 14.355 22.300 522 2HE LYS 65 3HE LYS 65 -11.205 12.834 22.234 523 1HZ LYS 65 1HZ LYS 65 -9.878 14.083 24.491 524 2HZ LYS 65 2HZ LYS 65 -11.376 13.399 24.397 525 3HZ LYS 65 3HZ LYS 65 -10.036 12.441 24.469 526 H PHE 66 HN PHE 66 -8.057 11.600 18.796 527 HA PHE 66 HA PHE 66 -6.821 9.266 19.888 528 1HB PHE 66 2HB PHE 66 -8.855 9.732 17.691 529 2HB PHE 66 3HB PHE 66 -8.346 8.114 18.202 530 HD1 PHE 66 HD1 PHE 66 -8.025 9.454 21.193 531 HD2 PHE 66 HD2 PHE 66 -11.176 8.906 18.326 532 HE1 PHE 66 HE1 PHE 66 -9.698 9.501 23.023 533 HE2 PHE 66 HE2 PHE 66 -12.849 8.953 20.156 534 HZ PHE 66 HZ PHE 66 -12.110 9.252 22.505 535 H ARG 67 HN ARG 67 -6.379 11.120 16.925 536 HA ARG 67 HA ARG 67 -5.088 9.109 15.378 537 1HB ARG 67 2HB ARG 67 -5.794 11.840 15.126 538 2HB ARG 67 3HB ARG 67 -4.033 11.760 14.880 539 1HG ARG 67 2HG ARG 67 -4.691 11.242 12.734 540 2HG ARG 67 3HG ARG 67 -4.761 9.603 13.426 541 1HD ARG 67 2HD ARG 67 -7.203 10.191 14.064 542 2HD ARG 67 3HD ARG 67 -7.034 11.547 12.928 543 HE ARG 67 HE ARG 67 -6.498 8.746 12.055 544 1HH1 ARG 67 2HH2 ARG 67 -8.239 11.812 11.804 545 2HH1 ARG 67 1HH2 ARG 67 -9.029 11.398 10.299 546 1HH2 ARG 67 2HH1 ARG 67 -7.541 8.198 10.067 547 2HH2 ARG 67 1HH1 ARG 67 -8.630 9.338 9.309 548 H VAL 68 HN VAL 68 -3.674 11.840 17.276 549 HA VAL 68 HA VAL 68 -0.994 11.108 17.019 550 HB VAL 68 HB VAL 68 -2.145 13.183 18.119 551 1HG1 VAL 68 1HG1 VAL 68 -2.857 13.027 20.276 552 2HG1 VAL 68 2HG1 VAL 68 -2.955 11.282 19.944 553 3HG1 VAL 68 3HG1 VAL 68 -1.513 11.957 20.740 554 1HG2 VAL 68 1HG2 VAL 68 -0.067 13.787 18.996 555 2HG2 VAL 68 2HG2 VAL 68 0.231 12.169 19.676 556 3HG2 VAL 68 3HG2 VAL 68 0.390 12.441 17.924 557 H TRP 69 HN TRP 69 -3.537 9.783 19.101 558 HA TRP 69 HA TRP 69 -1.821 8.343 20.871 559 1HB TRP 69 2HB TRP 69 -4.689 7.963 19.978 560 2HB TRP 69 3HB TRP 69 -3.919 6.951 21.208 561 HD1 TRP 69 HD1 TRP 69 -2.539 10.205 21.815 562 HE1 TRP 69 HE1 TRP 69 -3.772 11.499 23.630 563 HE3 TRP 69 HE3 TRP 69 -6.821 7.408 22.033 564 HZ2 TRP 69 HZ2 TRP 69 -6.308 11.347 25.016 565 HZ3 TRP 69 HZ3 TRP 69 -8.620 8.013 23.611 566 HH2 TRP 69 HH2 TRP 69 -8.380 9.974 25.105 567 H ILE 70 HN ILE 70 -3.658 7.310 17.943 568 HA ILE 70 HA ILE 70 -2.788 4.662 17.845 569 HB ILE 70 HB ILE 70 -3.397 6.630 15.607 570 1HG1 ILE 70 2HG1 ILE 70 -5.312 6.320 17.011 571 2HG1 ILE 70 3HG1 ILE 70 -5.552 5.239 15.618 572 1HG2 ILE 70 1HG2 ILE 70 -3.335 3.588 15.495 573 2HG2 ILE 70 2HG2 ILE 70 -3.606 4.717 14.145 574 3HG2 ILE 70 3HG2 ILE 70 -2.005 4.621 14.917 575 1HD1 ILE 70 1HD1 ILE 70 -5.949 3.690 17.264 576 2HD1 ILE 70 2HD1 ILE 70 -4.173 3.572 17.263 577 3HD1 ILE 70 3HD1 ILE 70 -4.997 4.581 18.475 578 H SER 71 HN SER 71 -1.040 7.632 17.197 579 HA SER 71 HA SER 71 1.083 6.349 15.685 580 1HB SER 71 2HB SER 71 0.226 9.004 16.312 581 2HB SER 71 3HB SER 71 1.904 8.827 16.878 582 HG SER 71 HG SER 71 1.988 7.667 14.631 583 H ILE 72 HN ILE 72 0.459 7.287 19.067 584 HA ILE 72 HA ILE 72 3.049 6.926 20.103 585 HB ILE 72 HB ILE 72 0.326 6.399 21.355 586 1HG1 ILE 72 2HG1 ILE 72 2.158 8.800 21.682 587 2HG1 ILE 72 3HG1 ILE 72 0.915 8.725 20.410 588 1HG2 ILE 72 1HG2 ILE 72 3.044 6.861 22.657 589 2HG2 ILE 72 2HG2 ILE 72 1.495 6.619 23.501 590 3HG2 ILE 72 3HG2 ILE 72 2.213 5.289 22.560 591 1HD1 ILE 72 1HD1 ILE 72 -0.650 9.334 21.910 592 2HD1 ILE 72 2HD1 ILE 72 -0.293 7.877 22.867 593 3HD1 ILE 72 3HD1 ILE 72 0.588 9.389 23.187 594 H LEU 73 HN LEU 73 0.415 4.572 19.493 595 HA LEU 73 HA LEU 73 1.702 2.338 20.688 596 1HB LEU 73 2HB LEU 73 0.018 1.808 18.317 597 2HB LEU 73 3HB LEU 73 -0.152 1.233 19.993 598 HG LEU 73 HG LEU 73 -0.865 4.024 18.993 599 1HD1 LEU 73 1HD1 LEU 73 -2.393 1.478 19.399 600 2HD1 LEU 73 2HD1 LEU 73 -3.180 2.993 19.902 601 3HD1 LEU 73 3HD1 LEU 73 -2.649 2.783 18.216 602 1HD2 LEU 73 1HD2 LEU 73 -0.017 3.725 21.407 603 2HD2 LEU 73 2HD2 LEU 73 -1.623 4.468 21.213 604 3HD2 LEU 73 3HD2 LEU 73 -1.485 2.757 21.684 605 H ASN 74 HN ASN 74 2.271 4.078 17.730 606 HA ASN 74 HA ASN 74 3.716 1.832 16.496 607 1HB ASN 74 2HB ASN 74 3.033 4.666 15.679 608 2HB ASN 74 3HB ASN 74 4.182 3.677 14.753 609 1HD2 ASN 74 1HD2 ASN 74 1.497 4.732 13.982 610 2HD2 ASN 74 2HD2 ASN 74 0.550 3.328 13.539 611 H ALA 75 HN ALA 75 4.416 3.574 19.071 612 HA ALA 75 HA ALA 75 6.870 4.890 18.466 613 1HB ALA 75 1HB ALA 75 5.933 3.615 21.067 614 2HB ALA 75 2HB ALA 75 7.217 4.836 20.893 615 3HB ALA 75 3HB ALA 75 5.529 5.261 20.523 616 H GLY 76 HN GLY 76 7.579 3.075 16.921 617 1HA GLY 76 1HA GLY 76 9.879 1.916 17.470 618 2HA GLY 76 2HA GLY 76 8.814 0.797 18.352 619 H GLN 77 HN GLN 77 6.611 1.318 16.326 620 HA GLN 77 HA GLN 77 7.563 -0.676 14.367 621 1HB GLN 77 2HB GLN 77 5.510 -1.322 15.313 622 2HB GLN 77 3HB GLN 77 4.867 0.338 15.285 623 1HG GLN 77 2HG GLN 77 5.647 -0.864 12.659 624 2HG GLN 77 3HG GLN 77 4.193 -1.518 13.443 625 1HE2 GLN 77 1HE2 GLN 77 4.787 1.689 14.423 626 2HE2 GLN 77 2HE2 GLN 77 3.677 2.503 13.342 Start of MODEL 3 1 1H ALA 0 1HN ALA -1 1.352 -0.828 0.478 2 2H ALA 0 2HN ALA -1 0.000 0.000 0.000 3 3H ALA 0 3HN ALA -1 1.352 0.000 -0.956 4 HA ALA 0 HA ALA -1 2.411 1.524 0.197 5 1HB ALA 0 1HB ALA -1 0.910 3.201 0.224 6 2HB ALA 0 2HB ALA -1 -0.345 1.979 -0.091 7 3HB ALA 0 3HB ALA -1 0.023 2.466 1.581 8 H SER 1 HN SER 1 2.692 2.662 2.405 9 HA SER 1 HA SER 1 3.426 0.705 4.318 10 1HB SER 1 2HB SER 1 3.853 3.427 3.900 11 2HB SER 1 3HB SER 1 2.930 3.376 5.421 12 HG SER 1 HG SER 1 5.438 2.305 4.800 13 H PHE 2 HN PHE 2 1.185 3.370 5.139 14 HA PHE 2 HA PHE 2 -1.080 1.738 5.677 15 1HB PHE 2 2HB PHE 2 -0.987 1.655 8.114 16 2HB PHE 2 3HB PHE 2 0.380 0.778 7.406 17 HD1 PHE 2 HD1 PHE 2 2.648 1.944 7.303 18 HD2 PHE 2 HD2 PHE 2 -0.639 3.410 9.646 19 HE1 PHE 2 HE1 PHE 2 4.221 3.296 8.663 20 HE2 PHE 2 HE2 PHE 2 0.933 4.762 11.006 21 HZ PHE 2 HZ PHE 2 3.363 4.705 10.514 22 H ILE 3 HN ILE 3 -0.086 4.390 4.633 23 HA ILE 3 HA ILE 3 -1.665 6.187 6.407 24 HB ILE 3 HB ILE 3 -0.364 7.808 4.602 25 1HG1 ILE 3 2HG1 ILE 3 2.004 6.953 4.610 26 2HG1 ILE 3 3HG1 ILE 3 1.395 5.401 5.236 27 1HG2 ILE 3 1HG2 ILE 3 0.198 8.647 6.616 28 2HG2 ILE 3 2HG2 ILE 3 -0.261 7.114 7.394 29 3HG2 ILE 3 3HG2 ILE 3 1.402 7.350 6.808 30 1HD1 ILE 3 1HD1 ILE 3 0.151 6.589 2.757 31 2HD1 ILE 3 2HD1 ILE 3 1.713 5.745 2.632 32 3HD1 ILE 3 3HD1 ILE 3 0.282 4.883 3.248 33 H ASP 4 HN ASP 4 -1.318 7.881 3.687 34 HA ASP 4 HA ASP 4 -2.825 6.849 1.644 35 1HB ASP 4 2HB ASP 4 -5.130 7.938 2.388 36 2HB ASP 4 3HB ASP 4 -4.722 6.263 2.815 37 H ASN 5 HN ASN 5 -2.777 8.344 0.050 38 HA ASN 5 HA ASN 5 -2.150 10.346 -0.919 39 1HB ASN 5 2HB ASN 5 -4.089 11.674 0.958 40 2HB ASN 5 3HB ASN 5 -3.870 11.902 -0.790 41 1HD2 ASN 5 1HD2 ASN 5 -4.483 9.058 1.359 42 2HD2 ASN 5 2HD2 ASN 5 -5.855 8.458 0.453 43 H THR 6 HN THR 6 -0.670 9.552 1.582 44 HA THR 6 HA THR 6 -0.182 11.890 3.145 45 HB THR 6 HB THR 6 0.381 9.620 3.900 46 HG1 THR 6 HG1 THR 6 2.724 10.149 4.297 47 1HG2 THR 6 1HG2 THR 6 1.322 9.274 1.320 48 2HG2 THR 6 2HG2 THR 6 2.829 9.415 2.257 49 3HG2 THR 6 3HG2 THR 6 1.632 8.167 2.679 50 H CYS 7 HN CYS 7 -0.206 13.315 1.090 51 HA CYS 7 HA CYS 7 2.403 13.346 -0.289 52 1HB CYS 7 2HB CYS 7 -0.178 14.900 -0.632 53 2HB CYS 7 3HB CYS 7 1.288 15.211 -1.575 54 H ARG 8 HN ARG 8 4.021 14.696 0.252 55 HA ARG 8 HA ARG 8 3.366 16.922 2.125 56 1HB ARG 8 2HB ARG 8 5.046 14.685 2.526 57 2HB ARG 8 3HB ARG 8 6.135 16.061 2.230 58 1HG ARG 8 2HG ARG 8 3.781 16.460 4.061 59 2HG ARG 8 3HG ARG 8 5.193 15.564 4.673 60 1HD ARG 8 2HD ARG 8 6.537 17.412 4.663 61 2HD ARG 8 3HD ARG 8 5.806 18.061 3.179 62 HE ARG 8 HE ARG 8 3.960 18.920 4.534 63 1HH1 ARG 8 2HH2 ARG 8 6.836 17.769 6.238 64 2HH1 ARG 8 1HH2 ARG 8 6.512 18.689 7.690 65 1HH2 ARG 8 2HH1 ARG 8 3.532 20.136 6.452 66 2HH2 ARG 8 1HH1 ARG 8 4.629 20.039 7.812 67 H GLY 9 HN GLY 9 4.115 16.224 -1.002 68 1HA GLY 9 1HA GLY 9 5.781 18.687 -1.276 69 2HA GLY 9 2HA GLY 9 5.966 17.257 -2.317 70 H VAL 10 HN VAL 10 2.855 17.004 -2.025 71 HA VAL 10 HA VAL 10 2.104 17.905 -4.520 72 HB VAL 10 HB VAL 10 0.735 16.445 -3.076 73 1HG1 VAL 10 1HG1 VAL 10 0.481 19.010 -1.473 74 2HG1 VAL 10 2HG1 VAL 10 -0.723 17.705 -1.350 75 3HG1 VAL 10 3HG1 VAL 10 0.974 17.395 -0.909 76 1HG2 VAL 10 1HG2 VAL 10 -0.148 18.473 -4.800 77 2HG2 VAL 10 2HG2 VAL 10 -1.095 17.071 -4.249 78 3HG2 VAL 10 3HG2 VAL 10 -1.206 18.618 -3.376 79 H MET 11 HN MET 11 2.833 19.799 -1.711 80 HA MET 11 HA MET 11 1.238 22.100 -2.366 81 1HB MET 11 2HB MET 11 2.604 23.222 -0.688 82 2HB MET 11 3HB MET 11 2.176 21.596 -0.105 83 1HG MET 11 2HG MET 11 4.351 21.141 0.145 84 2HG MET 11 3HG MET 11 4.555 21.297 -1.608 85 1HE MET 11 1HE MET 11 6.234 22.514 -2.537 86 2HE MET 11 2HE MET 11 7.295 23.682 -1.715 87 3HE MET 11 3HE MET 11 7.220 21.997 -1.149 88 H GLY 12 HN GLY 12 4.439 20.898 -3.299 89 1HA GLY 12 1HA GLY 12 5.095 23.430 -4.653 90 2HA GLY 12 2HA GLY 12 6.126 21.987 -4.517 91 H ASN 13 HN ASN 13 4.676 19.948 -5.515 92 HA ASN 13 HA ASN 13 4.947 20.056 -8.240 93 1HB ASN 13 2HB ASN 13 2.776 18.579 -6.705 94 2HB ASN 13 3HB ASN 13 3.362 18.179 -8.334 95 1HD2 ASN 13 1HD2 ASN 13 4.651 18.790 -5.013 96 2HD2 ASN 13 2HD2 ASN 13 5.845 17.511 -5.060 97 H ARG 14 HN ARG 14 1.632 20.065 -6.857 98 HA ARG 14 HA ARG 14 -0.270 21.136 -7.542 99 1HB ARG 14 2HB ARG 14 1.847 23.234 -8.085 100 2HB ARG 14 3HB ARG 14 0.123 23.539 -8.403 101 1HG ARG 14 2HG ARG 14 -0.426 23.010 -6.066 102 2HG ARG 14 3HG ARG 14 1.279 22.622 -5.734 103 1HD ARG 14 2HD ARG 14 1.209 24.824 -5.009 104 2HD ARG 14 3HD ARG 14 1.679 25.062 -6.706 105 HE ARG 14 HE ARG 14 -1.085 25.104 -6.756 106 1HH1 ARG 14 2HH2 ARG 14 1.449 26.843 -5.007 107 2HH1 ARG 14 1HH2 ARG 14 0.522 28.319 -4.857 108 1HH2 ARG 14 2HH1 ARG 14 -2.308 27.055 -6.557 109 2HH2 ARG 14 1HH1 ARG 14 -1.620 28.440 -5.741 110 H ASP 15 HN ASP 15 1.286 19.386 -9.418 111 HA ASP 15 HA ASP 15 -0.186 20.163 -11.841 112 1HB ASP 15 2HB ASP 15 2.146 21.219 -11.905 113 2HB ASP 15 3HB ASP 15 2.783 19.562 -11.991 114 H ILE 16 HN ILE 16 1.737 17.890 -9.929 115 HA ILE 16 HA ILE 16 1.134 15.651 -11.715 116 HB ILE 16 HB ILE 16 2.331 15.600 -8.923 117 1HG1 ILE 16 2HG1 ILE 16 3.690 15.978 -11.626 118 2HG1 ILE 16 3HG1 ILE 16 3.585 17.191 -10.328 119 1HG2 ILE 16 1HG2 ILE 16 3.281 13.742 -10.997 120 2HG2 ILE 16 2HG2 ILE 16 2.722 13.407 -9.340 121 3HG2 ILE 16 3HG2 ILE 16 1.541 13.571 -10.662 122 1HD1 ILE 16 1HD1 ILE 16 5.564 16.338 -9.611 123 2HD1 ILE 16 2HD1 ILE 16 4.598 14.971 -9.006 124 3HD1 ILE 16 3HD1 ILE 16 5.384 14.868 -10.600 125 H TYR 17 HN TYR 17 -0.028 17.074 -8.675 126 HA TYR 17 HA TYR 17 -1.629 14.869 -7.843 127 1HB TYR 17 2HB TYR 17 -0.884 17.017 -6.590 128 2HB TYR 17 3HB TYR 17 -2.295 17.772 -7.349 129 HD1 TYR 17 HD1 TYR 17 -1.289 14.862 -5.218 130 HD2 TYR 17 HD2 TYR 17 -4.414 17.571 -6.377 131 HE1 TYR 17 HE1 TYR 17 -2.741 13.955 -3.423 132 HE2 TYR 17 HE2 TYR 17 -5.866 16.665 -4.582 133 HH TYR 17 HH TYR 17 -6.069 15.150 -2.886 134 H LYS 18 HN LYS 18 -2.467 17.884 -9.641 135 HA LYS 18 HA LYS 18 -5.178 17.170 -10.097 136 1HB LYS 18 2HB LYS 18 -3.281 18.976 -11.647 137 2HB LYS 18 3HB LYS 18 -5.043 18.909 -11.888 138 1HG LYS 18 2HG LYS 18 -5.229 20.440 -10.238 139 2HG LYS 18 3HG LYS 18 -4.708 19.170 -9.105 140 1HD LYS 18 2HD LYS 18 -2.525 19.941 -9.031 141 2HD LYS 18 3HD LYS 18 -2.593 20.612 -10.678 142 1HE LYS 18 2HE LYS 18 -4.496 22.123 -9.400 143 2HE LYS 18 3HE LYS 18 -3.335 21.846 -8.084 144 1HZ LYS 18 1HZ LYS 18 -1.805 23.067 -9.098 145 2HZ LYS 18 2HZ LYS 18 -2.217 22.586 -10.621 146 3HZ LYS 18 3HZ LYS 18 -3.094 23.758 -9.861 147 H LYS 19 HN LYS 19 -2.203 16.722 -12.062 148 HA LYS 19 HA LYS 19 -3.502 15.547 -14.301 149 1HB LYS 19 2HB LYS 19 -1.188 16.453 -14.303 150 2HB LYS 19 3HB LYS 19 -0.677 15.109 -13.253 151 1HG LYS 19 2HG LYS 19 -2.068 13.866 -15.351 152 2HG LYS 19 3HG LYS 19 -1.119 15.145 -16.146 153 1HD LYS 19 2HD LYS 19 0.108 12.946 -15.898 154 2HD LYS 19 3HD LYS 19 0.935 14.331 -15.146 155 1HE LYS 19 2HE LYS 19 -0.932 13.146 -13.271 156 2HE LYS 19 3HE LYS 19 0.161 11.899 -13.909 157 1HZ LYS 19 1HZ LYS 19 1.924 13.667 -13.421 158 2HZ LYS 19 2HZ LYS 19 0.795 14.297 -12.397 159 3HZ LYS 19 3HZ LYS 19 1.328 12.750 -12.186 160 H VAL 20 HN VAL 20 -1.773 14.042 -11.514 161 HA VAL 20 HA VAL 20 -2.147 11.373 -12.147 162 HB VAL 20 HB VAL 20 -2.126 12.862 -9.509 163 1HG1 VAL 20 1HG1 VAL 20 -3.021 10.136 -10.051 164 2HG1 VAL 20 2HG1 VAL 20 -1.568 10.146 -9.024 165 3HG1 VAL 20 3HG1 VAL 20 -3.022 11.040 -8.518 166 1HG2 VAL 20 1HG2 VAL 20 0.111 12.573 -9.663 167 2HG2 VAL 20 2HG2 VAL 20 -0.075 10.849 -10.065 168 3HG2 VAL 20 3HG2 VAL 20 -0.159 12.077 -11.351 169 H VAL 21 HN VAL 21 -4.282 13.135 -9.830 170 HA VAL 21 HA VAL 21 -6.324 11.315 -9.649 171 HB VAL 21 HB VAL 21 -6.124 13.524 -8.455 172 1HG1 VAL 21 1HG1 VAL 21 -6.960 14.459 -11.205 173 2HG1 VAL 21 2HG1 VAL 21 -7.450 15.383 -9.764 174 3HG1 VAL 21 3HG1 VAL 21 -5.724 15.132 -10.116 175 1HG2 VAL 21 1HG2 VAL 21 -8.634 13.966 -8.511 176 2HG2 VAL 21 2HG2 VAL 21 -8.737 12.759 -9.815 177 3HG2 VAL 21 3HG2 VAL 21 -8.168 12.277 -8.198 178 H ARG 22 HN ARG 22 -5.566 13.454 -12.368 179 HA ARG 22 HA ARG 22 -8.062 12.993 -13.752 180 1HB ARG 22 2HB ARG 22 -6.338 14.940 -13.985 181 2HB ARG 22 3HB ARG 22 -5.470 13.822 -15.064 182 1HG ARG 22 2HG ARG 22 -6.867 14.893 -16.588 183 2HG ARG 22 3HG ARG 22 -7.879 13.500 -16.137 184 1HD ARG 22 2HD ARG 22 -9.345 14.784 -14.917 185 2HD ARG 22 3HD ARG 22 -8.087 15.934 -14.415 186 HE ARG 22 HE ARG 22 -8.708 17.273 -16.178 187 1HH1 ARG 22 2HH2 ARG 22 -9.580 13.919 -16.880 188 2HH1 ARG 22 1HH2 ARG 22 -10.349 14.295 -18.406 189 1HH2 ARG 22 2HH1 ARG 22 -9.723 17.769 -18.193 190 2HH2 ARG 22 1HH1 ARG 22 -10.431 16.490 -19.154 191 H VAL 23 HN VAL 23 -4.827 11.509 -13.696 192 HA VAL 23 HA VAL 23 -5.174 9.880 -16.014 193 HB VAL 23 HB VAL 23 -3.114 10.470 -14.297 194 1HG1 VAL 23 1HG1 VAL 23 -3.953 8.900 -12.595 195 2HG1 VAL 23 2HG1 VAL 23 -3.985 7.591 -13.800 196 3HG1 VAL 23 3HG1 VAL 23 -2.431 8.297 -13.294 197 1HG2 VAL 23 1HG2 VAL 23 -3.593 8.954 -16.684 198 2HG2 VAL 23 2HG2 VAL 23 -2.068 9.687 -16.132 199 3HG2 VAL 23 3HG2 VAL 23 -2.478 8.021 -15.658 200 H CYS 24 HN CYS 24 -6.001 9.490 -12.570 201 HA CYS 24 HA CYS 24 -6.664 6.719 -12.705 202 1HB CYS 24 2HB CYS 24 -7.980 8.725 -10.876 203 2HB CYS 24 3HB CYS 24 -7.583 7.028 -10.561 204 H GLU 25 HN GLU 25 -8.618 9.722 -13.036 205 HA GLU 25 HA GLU 25 -11.150 8.627 -13.264 206 1HB GLU 25 2HB GLU 25 -9.872 10.927 -14.788 207 2HB GLU 25 3HB GLU 25 -11.618 10.584 -14.782 208 1HG GLU 25 2HG GLU 25 -10.203 10.741 -12.140 209 2HG GLU 25 3HG GLU 25 -10.505 12.260 -13.013 210 H ASP 26 HN ASP 26 -8.759 9.116 -15.920 211 HA ASP 26 HA ASP 26 -10.264 8.062 -18.017 212 1HB ASP 26 2HB ASP 26 -8.215 9.088 -18.558 213 2HB ASP 26 3HB ASP 26 -7.307 8.104 -17.390 214 H CYS 27 HN CYS 27 -7.904 6.289 -15.932 215 HA CYS 27 HA CYS 27 -8.450 3.728 -16.980 216 1HB CYS 27 2HB CYS 27 -7.077 2.974 -15.317 217 2HB CYS 27 3HB CYS 27 -6.642 4.691 -15.288 218 H THR 28 HN THR 28 -10.027 5.622 -14.394 219 HA THR 28 HA THR 28 -11.635 3.613 -13.286 220 HB THR 28 HB THR 28 -12.364 6.526 -13.778 221 HG1 THR 28 HG1 THR 28 -11.179 5.398 -11.475 222 1HG2 THR 28 1HG2 THR 28 -13.185 5.065 -11.320 223 2HG2 THR 28 2HG2 THR 28 -14.098 6.221 -12.319 224 3HG2 THR 28 3HG2 THR 28 -13.963 4.520 -12.825 225 H ASN 29 HN ASN 29 -11.867 5.309 -16.367 226 HA ASN 29 HA ASN 29 -14.606 4.474 -16.871 227 1HB ASN 29 2HB ASN 29 -12.409 5.750 -18.523 228 2HB ASN 29 3HB ASN 29 -13.971 5.277 -19.226 229 1HD2 ASN 29 1HD2 ASN 29 -12.561 7.135 -16.477 230 2HD2 ASN 29 2HD2 ASN 29 -13.797 8.375 -16.456 231 H ILE 30 HN ILE 30 -11.317 3.436 -17.843 232 HA ILE 30 HA ILE 30 -11.928 1.527 -19.756 233 HB ILE 30 HB ILE 30 -9.791 1.856 -17.683 234 1HG1 ILE 30 2HG1 ILE 30 -8.383 1.836 -19.715 235 2HG1 ILE 30 3HG1 ILE 30 -9.808 1.434 -20.703 236 1HG2 ILE 30 1HG2 ILE 30 -8.850 -0.324 -18.971 237 2HG2 ILE 30 2HG2 ILE 30 -9.754 -0.434 -17.442 238 3HG2 ILE 30 3HG2 ILE 30 -10.586 -0.716 -18.990 239 1HD1 ILE 30 1HD1 ILE 30 -9.123 3.922 -20.594 240 2HD1 ILE 30 2HD1 ILE 30 -10.832 3.540 -20.277 241 3HD1 ILE 30 3HD1 ILE 30 -9.732 3.891 -18.922 242 H PHE 31 HN PHE 31 -11.812 1.069 -16.179 243 HA PHE 31 HA PHE 31 -13.040 -1.589 -16.503 244 1HB PHE 31 2HB PHE 31 -12.358 -0.181 -13.917 245 2HB PHE 31 3HB PHE 31 -12.501 -1.920 -14.224 246 HD1 PHE 31 HD1 PHE 31 -10.316 0.996 -14.323 247 HD2 PHE 31 HD2 PHE 31 -10.732 -3.108 -15.521 248 HE1 PHE 31 HE1 PHE 31 -7.874 0.870 -14.738 249 HE2 PHE 31 HE2 PHE 31 -8.290 -3.234 -15.936 250 HZ PHE 31 HZ PHE 31 -6.861 -1.245 -15.544 251 H ARG 32 HN ARG 32 -13.887 1.715 -15.784 252 HA ARG 32 HA ARG 32 -15.921 2.695 -15.397 253 1HB ARG 32 2HB ARG 32 -16.590 0.068 -16.557 254 2HB ARG 32 3HB ARG 32 -17.873 0.743 -15.525 255 1HG ARG 32 2HG ARG 32 -16.821 2.889 -17.095 256 2HG ARG 32 3HG ARG 32 -17.119 1.522 -18.195 257 1HD ARG 32 2HD ARG 32 -19.194 2.226 -16.128 258 2HD ARG 32 3HD ARG 32 -19.067 3.219 -17.596 259 HE ARG 32 HE ARG 32 -19.556 0.267 -17.608 260 1HH1 ARG 32 2HH2 ARG 32 -19.974 3.527 -18.912 261 2HH1 ARG 32 1HH2 ARG 32 -21.050 3.023 -20.196 262 1HH2 ARG 32 2HH1 ARG 32 -20.977 -0.398 -19.304 263 2HH2 ARG 32 1HH1 ARG 32 -21.622 0.785 -20.419 264 H LEU 33 HN LEU 33 -14.262 1.317 -13.297 265 HA LEU 33 HA LEU 33 -16.399 0.696 -11.324 266 1HB LEU 33 2HB LEU 33 -13.467 -0.011 -11.557 267 2HB LEU 33 3HB LEU 33 -14.317 -0.112 -9.997 268 HG LEU 33 HG LEU 33 -16.122 -1.376 -11.582 269 1HD1 LEU 33 1HD1 LEU 33 -15.226 -2.406 -13.424 270 2HD1 LEU 33 2HD1 LEU 33 -14.108 -1.022 -13.378 271 3HD1 LEU 33 3HD1 LEU 33 -13.621 -2.582 -12.673 272 1HD2 LEU 33 1HD2 LEU 33 -15.408 -3.363 -10.529 273 2HD2 LEU 33 2HD2 LEU 33 -13.694 -2.889 -10.590 274 3HD2 LEU 33 3HD2 LEU 33 -14.798 -2.088 -9.446 275 HA PRO 34 HA PRO 34 -15.620 4.681 -9.563 276 1HB PRO 34 2HB PRO 34 -17.158 4.418 -7.329 277 2HB PRO 34 3HB PRO 34 -17.880 4.503 -8.969 278 1HG PRO 34 2HG PRO 34 -17.233 2.008 -7.372 279 2HG PRO 34 3HG PRO 34 -18.795 2.429 -8.148 280 1HD PRO 34 2HD PRO 34 -16.979 0.821 -9.391 281 2HD PRO 34 3HD PRO 34 -17.894 2.045 -10.322 282 H GLY 35 HN GLY 35 -15.167 1.580 -7.871 283 1HA GLY 35 1HA GLY 35 -13.461 2.827 -5.827 284 2HA GLY 35 2HA GLY 35 -13.912 1.111 -5.949 285 H LEU 36 HN LEU 36 -12.127 3.600 -7.865 286 HA LEU 36 HA LEU 36 -9.814 1.792 -8.000 287 1HB LEU 36 2HB LEU 36 -11.495 1.350 -9.956 288 2HB LEU 36 3HB LEU 36 -10.902 2.905 -10.588 289 HG LEU 36 HG LEU 36 -8.550 2.019 -10.355 290 1HD1 LEU 36 1HD1 LEU 36 -8.549 0.269 -8.840 291 2HD1 LEU 36 2HD1 LEU 36 -10.135 -0.335 -9.375 292 3HD1 LEU 36 3HD1 LEU 36 -8.683 -0.660 -10.352 293 1HD2 LEU 36 1HD2 LEU 36 -10.573 0.592 -12.119 294 2HD2 LEU 36 2HD2 LEU 36 -9.517 1.961 -12.544 295 3HD2 LEU 36 3HD2 LEU 36 -8.817 0.345 -12.282 296 H ASP 37 HN ASP 37 -11.262 4.816 -9.339 297 HA ASP 37 HA ASP 37 -9.006 6.264 -9.901 298 1HB ASP 37 2HB ASP 37 -11.296 7.085 -10.228 299 2HB ASP 37 3HB ASP 37 -11.509 7.234 -8.470 300 H GLY 38 HN GLY 38 -10.590 6.070 -6.661 301 1HA GLY 38 1HA GLY 38 -8.883 7.654 -5.189 302 2HA GLY 38 2HA GLY 38 -9.639 6.172 -4.562 303 H MET 39 HN MET 39 -8.502 4.068 -5.287 304 HA MET 39 HA MET 39 -6.012 3.844 -4.189 305 1HB MET 39 2HB MET 39 -7.337 2.349 -6.462 306 2HB MET 39 3HB MET 39 -5.726 1.884 -5.863 307 1HG MET 39 2HG MET 39 -6.815 1.949 -3.513 308 2HG MET 39 3HG MET 39 -8.361 1.931 -4.377 309 1HE MET 39 1HE MET 39 -8.816 -0.864 -6.213 310 2HE MET 39 2HE MET 39 -7.946 0.605 -6.713 311 3HE MET 39 3HE MET 39 -7.145 -0.981 -6.813 312 H CYS 40 HN CYS 40 -6.627 4.274 -7.721 313 HA CYS 40 HA CYS 40 -4.060 4.429 -8.663 314 1HB CYS 40 2HB CYS 40 -5.922 4.606 -10.147 315 2HB CYS 40 3HB CYS 40 -6.504 6.077 -9.351 316 H ARG 41 HN ARG 41 -5.755 6.771 -6.633 317 HA ARG 41 HA ARG 41 -3.208 8.265 -6.377 318 1HB ARG 41 2HB ARG 41 -4.624 10.391 -6.368 319 2HB ARG 41 3HB ARG 41 -4.408 9.606 -7.950 320 1HG ARG 41 2HG ARG 41 -6.642 9.403 -8.154 321 2HG ARG 41 3HG ARG 41 -6.688 8.419 -6.672 322 1HD ARG 41 2HD ARG 41 -8.124 10.483 -6.564 323 2HD ARG 41 3HD ARG 41 -6.890 10.399 -5.289 324 HE ARG 41 HE ARG 41 -6.478 11.994 -7.781 325 1HH1 ARG 41 2HH2 ARG 41 -6.512 11.629 -4.264 326 2HH1 ARG 41 1HH2 ARG 41 -5.835 13.212 -3.956 327 1HH2 ARG 41 2HH1 ARG 41 -5.583 14.086 -7.374 328 2HH2 ARG 41 1HH1 ARG 41 -5.306 14.613 -5.729 329 H ASN 42 HN ASN 42 -4.177 6.295 -4.635 330 HA ASN 42 HA ASN 42 -5.637 7.650 -2.484 331 1HB ASN 42 2HB ASN 42 -6.159 5.334 -2.900 332 2HB ASN 42 3HB ASN 42 -4.445 4.875 -2.809 333 1HD2 ASN 42 1HD2 ASN 42 -4.976 7.306 -0.557 334 2HD2 ASN 42 2HD2 ASN 42 -5.257 6.321 0.862 335 H ARG 43 HN ARG 43 -3.004 5.460 -1.733 336 HA ARG 43 HA ARG 43 -1.895 7.219 0.204 337 1HB ARG 43 2HB ARG 43 0.120 5.432 -0.388 338 2HB ARG 43 3HB ARG 43 -1.223 5.123 0.739 339 1HG ARG 43 2HG ARG 43 -1.721 4.659 -2.183 340 2HG ARG 43 3HG ARG 43 -0.700 3.482 -1.322 341 1HD ARG 43 2HD ARG 43 -2.426 2.995 0.257 342 2HD ARG 43 3HD ARG 43 -3.388 4.400 -0.250 343 HE ARG 43 HE ARG 43 -3.118 2.822 -2.531 344 1HH1 ARG 43 2HH2 ARG 43 -4.397 2.460 0.745 345 2HH1 ARG 43 1HH2 ARG 43 -5.616 1.293 0.287 346 1HH2 ARG 43 2HH1 ARG 43 -4.730 1.280 -3.136 347 2HH2 ARG 43 1HH1 ARG 43 -5.806 0.620 -1.925 348 H CYS 44 HN CYS 44 -1.797 9.177 -1.236 349 HA CYS 44 HA CYS 44 -0.674 10.622 -2.639 350 1HB CYS 44 2HB CYS 44 0.734 10.250 -0.477 351 2HB CYS 44 3HB CYS 44 1.836 9.361 -1.541 352 H PHE 45 HN PHE 45 -1.525 8.675 -4.228 353 HA PHE 45 HA PHE 45 -1.098 7.426 -6.110 354 1HB PHE 45 2HB PHE 45 1.287 9.220 -6.543 355 2HB PHE 45 3HB PHE 45 0.165 8.549 -7.738 356 HD1 PHE 45 HD1 PHE 45 -2.141 9.400 -5.499 357 HD2 PHE 45 HD2 PHE 45 0.838 11.372 -7.883 358 HE1 PHE 45 HE1 PHE 45 -3.471 11.492 -5.430 359 HE2 PHE 45 HE2 PHE 45 -0.492 13.464 -7.814 360 HZ PHE 45 HZ PHE 45 -2.646 13.524 -6.587 361 H TYR 46 HN TYR 46 0.486 6.884 -3.489 362 HA TYR 46 HA TYR 46 2.756 5.401 -4.711 363 1HB TYR 46 2HB TYR 46 2.963 7.101 -2.735 364 2HB TYR 46 3HB TYR 46 2.291 5.784 -1.759 365 HD1 TYR 46 HD1 TYR 46 4.159 5.271 -0.393 366 HD2 TYR 46 HD2 TYR 46 4.594 5.412 -4.664 367 HE1 TYR 46 HE1 TYR 46 6.416 4.263 -0.196 368 HE2 TYR 46 HE2 TYR 46 6.852 4.404 -4.467 369 HH TYR 46 HH TYR 46 8.728 4.362 -2.270 370 H ASN 47 HN ASN 47 1.487 3.665 -5.542 371 HA ASN 47 HA ASN 47 1.182 1.479 -3.766 372 1HB ASN 47 2HB ASN 47 -1.415 1.368 -4.144 373 2HB ASN 47 3HB ASN 47 -0.755 2.335 -2.807 374 1HD2 ASN 47 1HD2 ASN 47 -3.018 3.324 -3.128 375 2HD2 ASN 47 2HD2 ASN 47 -3.121 4.679 -4.231 376 H GLU 48 HN GLU 48 2.164 2.398 -6.457 377 HA GLU 48 HA GLU 48 2.351 1.541 -8.571 378 1HB GLU 48 2HB GLU 48 2.345 -0.768 -8.739 379 2HB GLU 48 3HB GLU 48 2.427 -0.577 -6.972 380 1HG GLU 48 2HG GLU 48 0.380 -1.488 -6.682 381 2HG GLU 48 3HG GLU 48 -0.327 -0.490 -7.971 382 H TRP 49 HN TRP 49 -0.767 1.578 -6.994 383 HA TRP 49 HA TRP 49 -2.522 0.867 -9.015 384 1HB TRP 49 2HB TRP 49 -2.607 3.019 -6.899 385 2HB TRP 49 3HB TRP 49 -3.965 2.757 -8.002 386 HD1 TRP 49 HD1 TRP 49 -3.173 2.019 -4.669 387 HE1 TRP 49 HE1 TRP 49 -4.232 -0.119 -3.777 388 HE3 TRP 49 HE3 TRP 49 -4.409 -0.187 -9.119 389 HZ2 TRP 49 HZ2 TRP 49 -5.468 -2.504 -4.855 390 HZ3 TRP 49 HZ3 TRP 49 -5.524 -2.388 -9.146 391 HH2 TRP 49 HH2 TRP 49 -6.059 -3.557 -7.029 392 H PHE 50 HN PHE 50 -0.158 3.338 -9.085 393 HA PHE 50 HA PHE 50 -1.557 5.123 -10.897 394 1HB PHE 50 2HB PHE 50 0.483 5.491 -9.236 395 2HB PHE 50 3HB PHE 50 1.430 5.012 -10.654 396 HD1 PHE 50 HD1 PHE 50 -1.774 6.881 -10.806 397 HD2 PHE 50 HD2 PHE 50 2.508 7.111 -11.049 398 HE1 PHE 50 HE1 PHE 50 -1.949 9.186 -11.704 399 HE2 PHE 50 HE2 PHE 50 2.333 9.416 -11.947 400 HZ PHE 50 HZ PHE 50 0.105 10.454 -12.274 401 H LEU 51 HN LEU 51 0.344 2.193 -11.138 402 HA LEU 51 HA LEU 51 0.900 2.591 -13.992 403 1HB LEU 51 2HB LEU 51 2.526 1.476 -12.462 404 2HB LEU 51 3HB LEU 51 1.342 0.173 -12.197 405 HG LEU 51 HG LEU 51 1.541 0.564 -15.018 406 1HD1 LEU 51 1HD1 LEU 51 4.054 1.054 -13.564 407 2HD1 LEU 51 2HD1 LEU 51 4.176 -0.285 -14.730 408 3HD1 LEU 51 3HD1 LEU 51 3.660 1.328 -15.278 409 1HD2 LEU 51 1HD2 LEU 51 0.998 -1.547 -13.898 410 2HD2 LEU 51 2HD2 LEU 51 2.446 -1.767 -14.909 411 3HD2 LEU 51 3HD2 LEU 51 2.610 -1.591 -13.145 412 H ILE 52 HN ILE 52 -1.260 0.710 -11.862 413 HA ILE 52 HA ILE 52 -2.360 -1.038 -13.756 414 HB ILE 52 HB ILE 52 -3.692 0.351 -11.397 415 1HG1 ILE 52 2HG1 ILE 52 -3.161 -1.989 -10.390 416 2HG1 ILE 52 3HG1 ILE 52 -2.001 -2.142 -11.732 417 1HG2 ILE 52 1HG2 ILE 52 -4.828 -1.231 -13.432 418 2HG2 ILE 52 2HG2 ILE 52 -4.586 -2.346 -12.066 419 3HG2 ILE 52 3HG2 ILE 52 -5.544 -0.863 -11.844 420 1HD1 ILE 52 1HD1 ILE 52 -0.524 -0.867 -10.606 421 2HD1 ILE 52 2HD1 ILE 52 -1.697 0.470 -10.572 422 3HD1 ILE 52 3HD1 ILE 52 -1.677 -0.729 -9.257 423 H CYS 53 HN CYS 53 -3.241 2.346 -12.943 424 HA CYS 53 HA CYS 53 -5.433 2.415 -14.826 425 1HB CYS 53 2HB CYS 53 -3.890 4.482 -13.247 426 2HB CYS 53 3HB CYS 53 -5.151 4.937 -14.404 427 H LEU 54 HN LEU 54 -2.059 3.673 -14.786 428 HA LEU 54 HA LEU 54 -2.058 4.962 -17.259 429 1HB LEU 54 2HB LEU 54 0.006 3.568 -15.578 430 2HB LEU 54 3HB LEU 54 0.445 4.075 -17.227 431 HG LEU 54 HG LEU 54 -1.003 6.035 -15.462 432 1HD1 LEU 54 1HD1 LEU 54 1.439 4.752 -14.691 433 2HD1 LEU 54 2HD1 LEU 54 1.841 6.405 -15.214 434 3HD1 LEU 54 3HD1 LEU 54 0.640 6.147 -13.925 435 1HD2 LEU 54 1HD2 LEU 54 1.363 6.507 -17.290 436 2HD2 LEU 54 2HD2 LEU 54 -0.269 6.280 -17.964 437 3HD2 LEU 54 3HD2 LEU 54 0.051 7.624 -16.843 438 H LYS 55 HN LYS 55 -1.899 1.503 -16.485 439 HA LYS 55 HA LYS 55 -1.115 0.646 -19.110 440 1HB LYS 55 2HB LYS 55 -2.035 -0.560 -16.567 441 2HB LYS 55 3HB LYS 55 -2.473 -1.478 -18.028 442 1HG LYS 55 2HG LYS 55 -0.330 -2.118 -18.372 443 2HG LYS 55 3HG LYS 55 0.272 -0.457 -18.154 444 1HD LYS 55 2HD LYS 55 1.119 -1.116 -16.168 445 2HD LYS 55 3HD LYS 55 -0.554 -1.287 -15.587 446 1HE LYS 55 2HE LYS 55 1.174 -3.419 -16.900 447 2HE LYS 55 3HE LYS 55 0.582 -3.395 -15.225 448 1HZ LYS 55 1HZ LYS 55 -0.794 -4.806 -16.437 449 2HZ LYS 55 2HZ LYS 55 -1.671 -3.429 -16.204 450 3HZ LYS 55 3HZ LYS 55 -0.989 -3.732 -17.674 451 H ALA 56 HN ALA 56 -4.266 1.026 -17.433 452 HA ALA 56 HA ALA 56 -5.927 -0.060 -19.406 453 1HB ALA 56 1HB ALA 56 -7.571 0.713 -18.058 454 2HB ALA 56 2HB ALA 56 -6.251 1.227 -16.981 455 3HB ALA 56 3HB ALA 56 -6.966 2.385 -18.128 456 H ALA 57 HN ALA 57 -3.866 2.670 -19.585 457 HA ALA 57 HA ALA 57 -5.424 3.771 -21.871 458 1HB ALA 57 1HB ALA 57 -4.219 5.841 -21.498 459 2HB ALA 57 2HB ALA 57 -4.906 5.303 -19.946 460 3HB ALA 57 3HB ALA 57 -3.174 5.065 -20.284 461 H ASN 58 HN ASN 58 -3.251 1.462 -21.419 462 HA ASN 58 HA ASN 58 -1.659 0.504 -22.757 463 1HB ASN 58 2HB ASN 58 -2.741 0.687 -24.757 464 2HB ASN 58 3HB ASN 58 -3.035 2.429 -24.561 465 1HD2 ASN 58 1HD2 ASN 58 -0.930 3.809 -24.592 466 2HD2 ASN 58 2HD2 ASN 58 0.221 3.403 -25.846 467 H ARG 59 HN ARG 59 -1.616 3.927 -22.081 468 HA ARG 59 HA ARG 59 0.816 4.812 -22.991 469 1HB ARG 59 2HB ARG 59 -0.823 5.294 -20.541 470 2HB ARG 59 3HB ARG 59 0.858 5.881 -20.514 471 1HG ARG 59 2HG ARG 59 0.462 7.472 -22.107 472 2HG ARG 59 3HG ARG 59 -0.636 6.417 -23.030 473 1HD ARG 59 2HD ARG 59 -2.075 6.806 -20.726 474 2HD ARG 59 3HD ARG 59 -1.229 8.362 -20.868 475 HE ARG 59 HE ARG 59 -2.193 7.954 -23.400 476 1HH1 ARG 59 2HH2 ARG 59 -3.627 7.884 -20.169 477 2HH1 ARG 59 1HH2 ARG 59 -5.206 8.409 -20.709 478 1HH2 ARG 59 2HH1 ARG 59 -4.279 8.648 -24.113 479 2HH2 ARG 59 1HH1 ARG 59 -5.578 8.845 -22.958 480 H GLU 60 HN GLU 60 0.495 3.513 -19.643 481 HA GLU 60 HA GLU 60 2.212 2.684 -18.306 482 1HB GLU 60 2HB GLU 60 1.050 0.758 -19.461 483 2HB GLU 60 3HB GLU 60 2.378 0.751 -20.646 484 1HG GLU 60 2HG GLU 60 3.979 0.133 -19.034 485 2HG GLU 60 3HG GLU 60 2.958 0.662 -17.680 486 H ASP 61 HN ASP 61 3.134 4.811 -20.082 487 HA ASP 61 HA ASP 61 5.949 3.892 -20.434 488 1HB ASP 61 2HB ASP 61 4.098 5.327 -22.264 489 2HB ASP 61 3HB ASP 61 5.742 5.992 -22.153 490 H GLU 62 HN GLU 62 3.682 6.533 -19.624 491 HA GLU 62 HA GLU 62 5.808 8.328 -18.798 492 1HB GLU 62 2HB GLU 62 3.435 9.209 -17.638 493 2HB GLU 62 3HB GLU 62 4.068 9.695 -19.229 494 1HG GLU 62 2HG GLU 62 2.519 7.125 -18.996 495 2HG GLU 62 3HG GLU 62 1.632 8.664 -18.997 496 H ILE 63 HN ILE 63 5.171 5.470 -17.577 497 HA ILE 63 HA ILE 63 4.513 5.939 -14.836 498 HB ILE 63 HB ILE 63 6.265 3.652 -15.683 499 1HG1 ILE 63 2HG1 ILE 63 4.742 4.002 -17.604 500 2HG1 ILE 63 3HG1 ILE 63 4.304 2.532 -16.700 501 1HG2 ILE 63 1HG2 ILE 63 4.556 4.345 -13.508 502 2HG2 ILE 63 2HG2 ILE 63 3.769 3.007 -14.378 503 3HG2 ILE 63 3HG2 ILE 63 5.428 2.815 -13.765 504 1HD1 ILE 63 1HD1 ILE 63 3.022 5.168 -15.976 505 2HD1 ILE 63 2HD1 ILE 63 2.426 4.256 -17.383 506 3HD1 ILE 63 3HD1 ILE 63 2.397 3.515 -15.765 507 H GLU 64 HN GLU 64 7.616 5.660 -16.621 508 HA GLU 64 HA GLU 64 9.399 5.687 -14.496 509 1HB GLU 64 2HB GLU 64 9.410 6.499 -17.337 510 2HB GLU 64 3HB GLU 64 10.626 7.325 -16.334 511 1HG GLU 64 2HG GLU 64 11.403 5.133 -15.481 512 2HG GLU 64 3HG GLU 64 10.197 4.313 -16.498 513 H LYS 65 HN LYS 65 8.019 8.555 -16.197 514 HA LYS 65 HA LYS 65 9.160 10.395 -14.283 515 1HB LYS 65 2HB LYS 65 7.349 11.907 -15.501 516 2HB LYS 65 3HB LYS 65 8.829 11.394 -16.345 517 1HG LYS 65 2HG LYS 65 7.560 10.369 -17.899 518 2HG LYS 65 3HG LYS 65 6.918 9.291 -16.637 519 1HD LYS 65 2HD LYS 65 4.906 10.260 -16.989 520 2HD LYS 65 3HD LYS 65 5.576 11.724 -16.229 521 1HE LYS 65 2HE LYS 65 6.277 11.279 -19.094 522 2HE LYS 65 3HE LYS 65 4.579 11.678 -18.755 523 1HZ LYS 65 1HZ LYS 65 6.897 13.313 -18.583 524 2HZ LYS 65 2HZ LYS 65 5.311 13.736 -18.744 525 3HZ LYS 65 3HZ LYS 65 5.931 13.417 -17.250 526 H PHE 66 HN PHE 66 5.959 8.887 -14.818 527 HA PHE 66 HA PHE 66 4.506 10.364 -12.907 528 1HB PHE 66 2HB PHE 66 4.290 7.642 -14.151 529 2HB PHE 66 3HB PHE 66 3.241 8.039 -12.779 530 HD1 PHE 66 HD1 PHE 66 4.351 10.584 -15.216 531 HD2 PHE 66 HD2 PHE 66 1.187 7.921 -14.054 532 HE1 PHE 66 HE1 PHE 66 2.796 11.766 -16.744 533 HE2 PHE 66 HE2 PHE 66 -0.368 9.103 -15.582 534 HZ PHE 66 HZ PHE 66 0.436 11.025 -16.927 535 H ARG 67 HN ARG 67 6.720 7.602 -12.577 536 HA ARG 67 HA ARG 67 6.049 7.016 -9.848 537 1HB ARG 67 2HB ARG 67 7.906 6.105 -11.894 538 2HB ARG 67 3HB ARG 67 8.721 6.255 -10.318 539 1HG ARG 67 2HG ARG 67 6.986 4.888 -9.254 540 2HG ARG 67 3HG ARG 67 6.083 4.799 -10.786 541 1HD ARG 67 2HD ARG 67 7.274 2.780 -10.786 542 2HD ARG 67 3HD ARG 67 8.316 3.841 -11.758 543 HE ARG 67 HE ARG 67 8.928 3.817 -8.897 544 1HH1 ARG 67 2HH2 ARG 67 9.506 2.375 -12.073 545 2HH1 ARG 67 1HH2 ARG 67 11.073 1.725 -11.644 546 1HH2 ARG 67 2HH1 ARG 67 10.998 2.959 -8.331 547 2HH2 ARG 67 1HH1 ARG 67 11.923 2.058 -9.511 548 H VAL 68 HN VAL 68 9.018 8.537 -11.240 549 HA VAL 68 HA VAL 68 10.154 9.433 -8.885 550 HB VAL 68 HB VAL 68 11.073 9.580 -11.248 551 1HG1 VAL 68 1HG1 VAL 68 9.414 10.648 -12.517 552 2HG1 VAL 68 2HG1 VAL 68 9.085 11.856 -11.252 553 3HG1 VAL 68 3HG1 VAL 68 10.571 11.969 -12.226 554 1HG2 VAL 68 1HG2 VAL 68 11.502 11.211 -8.954 555 2HG2 VAL 68 2HG2 VAL 68 12.651 10.856 -10.266 556 3HG2 VAL 68 3HG2 VAL 68 11.596 12.287 -10.369 557 H TRP 69 HN TRP 69 7.374 10.745 -10.648 558 HA TRP 69 HA TRP 69 7.250 13.278 -9.383 559 1HB TRP 69 2HB TRP 69 5.109 11.455 -10.514 560 2HB TRP 69 3HB TRP 69 4.806 13.114 -9.978 561 HD1 TRP 69 HD1 TRP 69 8.041 13.363 -11.465 562 HE1 TRP 69 HE1 TRP 69 7.987 14.099 -13.903 563 HE3 TRP 69 HE3 TRP 69 3.097 12.489 -12.462 564 HZ2 TRP 69 HZ2 TRP 69 6.040 14.290 -16.036 565 HZ3 TRP 69 HZ3 TRP 69 2.181 12.960 -14.705 566 HH2 TRP 69 HH2 TRP 69 3.635 13.858 -16.498 567 H ILE 70 HN ILE 70 5.622 10.164 -8.576 568 HA ILE 70 HA ILE 70 4.247 11.011 -6.299 569 HB ILE 70 HB ILE 70 5.609 8.320 -6.417 570 1HG1 ILE 70 2HG1 ILE 70 4.947 8.460 -8.669 571 2HG1 ILE 70 3HG1 ILE 70 3.519 7.737 -7.891 572 1HG2 ILE 70 1HG2 ILE 70 3.430 9.581 -4.995 573 2HG2 ILE 70 2HG2 ILE 70 2.797 8.232 -5.967 574 3HG2 ILE 70 3HG2 ILE 70 4.098 7.945 -4.787 575 1HD1 ILE 70 1HD1 ILE 70 2.892 10.336 -7.558 576 2HD1 ILE 70 2HD1 ILE 70 3.903 10.488 -9.015 577 3HD1 ILE 70 3HD1 ILE 70 2.464 9.440 -9.035 578 H SER 71 HN SER 71 7.683 10.404 -6.785 579 HA SER 71 HA SER 71 8.312 10.262 -3.958 580 1HB SER 71 2HB SER 71 9.615 9.736 -6.408 581 2HB SER 71 3HB SER 71 10.525 11.066 -5.653 582 HG SER 71 HG SER 71 10.153 8.446 -4.817 583 H ILE 72 HN ILE 72 8.056 12.772 -6.443 584 HA ILE 72 HA ILE 72 9.458 14.823 -5.051 585 HB ILE 72 HB ILE 72 7.193 14.951 -7.079 586 1HG1 ILE 72 2HG1 ILE 72 10.203 15.271 -7.418 587 2HG1 ILE 72 3HG1 ILE 72 9.313 13.771 -7.770 588 1HG2 ILE 72 1HG2 ILE 72 7.545 17.036 -5.681 589 2HG2 ILE 72 2HG2 ILE 72 9.213 17.093 -6.302 590 3HG2 ILE 72 3HG2 ILE 72 7.839 17.258 -7.423 591 1HD1 ILE 72 1HD1 ILE 72 7.913 15.923 -9.037 592 2HD1 ILE 72 2HD1 ILE 72 9.639 16.097 -9.436 593 3HD1 ILE 72 3HD1 ILE 72 8.788 14.578 -9.807 594 H LEU 73 HN LEU 73 6.064 13.702 -5.001 595 HA LEU 73 HA LEU 73 5.098 15.842 -3.358 596 1HB LEU 73 2HB LEU 73 3.945 13.044 -3.473 597 2HB LEU 73 3HB LEU 73 3.093 14.593 -3.258 598 HG LEU 73 HG LEU 73 4.684 13.984 -5.769 599 1HD1 LEU 73 1HD1 LEU 73 2.716 12.322 -5.099 600 2HD1 LEU 73 2HD1 LEU 73 1.693 13.668 -5.653 601 3HD1 LEU 73 3HD1 LEU 73 2.868 12.927 -6.766 602 1HD2 LEU 73 1HD2 LEU 73 3.888 16.341 -5.061 603 2HD2 LEU 73 2HD2 LEU 73 3.446 15.791 -6.696 604 3HD2 LEU 73 3HD2 LEU 73 2.243 15.745 -5.385 605 H ASN 74 HN ASN 74 7.302 13.383 -2.719 606 HA ASN 74 HA ASN 74 6.488 13.160 0.127 607 1HB ASN 74 2HB ASN 74 8.194 11.546 -1.753 608 2HB ASN 74 3HB ASN 74 8.509 11.463 -0.006 609 1HD2 ASN 74 1HD2 ASN 74 7.022 9.820 -2.377 610 2HD2 ASN 74 2HD2 ASN 74 5.647 9.161 -1.518 611 H ALA 75 HN ALA 75 7.891 15.467 -1.455 612 HA ALA 75 HA ALA 75 10.541 15.780 -0.778 613 1HB ALA 75 1HB ALA 75 8.594 18.042 -0.328 614 2HB ALA 75 2HB ALA 75 10.204 18.074 -1.085 615 3HB ALA 75 3HB ALA 75 8.823 17.371 -1.960 616 H GLY 76 HN GLY 76 8.071 17.445 1.225 617 1HA GLY 76 1HA GLY 76 9.618 17.793 3.488 618 2HA GLY 76 2HA GLY 76 7.851 17.598 3.514 619 H GLN 77 HN GLN 77 7.633 14.939 2.592 620 HA GLN 77 HA GLN 77 7.939 13.483 4.978 621 1HB GLN 77 2HB GLN 77 6.363 12.733 3.354 622 2HB GLN 77 3HB GLN 77 7.601 12.658 2.077 623 1HG GLN 77 2HG GLN 77 8.176 11.044 4.506 624 2HG GLN 77 3HG GLN 77 6.780 10.501 3.550 625 1HE2 GLN 77 1HE2 GLN 77 9.545 12.219 2.141 626 2HE2 GLN 77 2HE2 GLN 77 10.179 10.863 1.234 Start of MODEL 4 1 1H ALA 0 1HN ALA -1 1.352 -0.828 0.478 2 2H ALA 0 2HN ALA -1 0.000 0.000 0.000 3 3H ALA 0 3HN ALA -1 1.352 0.000 -0.956 4 HA ALA 0 HA ALA -1 0.819 1.420 1.502 5 1HB ALA 0 1HB ALA -1 2.990 -0.156 1.459 6 2HB ALA 0 2HB ALA -1 3.642 1.214 0.530 7 3HB ALA 0 3HB ALA -1 3.017 1.473 2.177 8 H SER 1 HN SER 1 -0.407 2.811 0.132 9 HA SER 1 HA SER 1 -0.716 4.551 -1.327 10 1HB SER 1 2HB SER 1 1.763 4.982 0.100 11 2HB SER 1 3HB SER 1 1.885 5.662 -1.541 12 HG SER 1 HG SER 1 -0.484 6.082 -0.136 13 H PHE 2 HN PHE 2 0.539 5.722 -3.352 14 HA PHE 2 HA PHE 2 1.021 3.468 -5.205 15 1HB PHE 2 2HB PHE 2 0.437 4.975 -6.934 16 2HB PHE 2 3HB PHE 2 -0.712 5.280 -5.620 17 HD1 PHE 2 HD1 PHE 2 0.209 7.136 -3.860 18 HD2 PHE 2 HD2 PHE 2 1.290 6.832 -8.006 19 HE1 PHE 2 HE1 PHE 2 0.828 9.537 -3.874 20 HE2 PHE 2 HE2 PHE 2 1.908 9.233 -8.021 21 HZ PHE 2 HZ PHE 2 1.678 10.586 -5.955 22 H ILE 3 HN ILE 3 3.048 4.318 -3.232 23 HA ILE 3 HA ILE 3 5.058 5.745 -4.824 24 HB ILE 3 HB ILE 3 6.414 5.065 -2.647 25 1HG1 ILE 3 2HG1 ILE 3 3.950 5.250 -1.121 26 2HG1 ILE 3 3HG1 ILE 3 3.908 3.824 -2.185 27 1HG2 ILE 3 1HG2 ILE 3 5.733 7.356 -3.299 28 2HG2 ILE 3 2HG2 ILE 3 4.106 7.057 -2.641 29 3HG2 ILE 3 3HG2 ILE 3 5.513 7.093 -1.552 30 1HD1 ILE 3 1HD1 ILE 3 6.206 4.539 -0.313 31 2HD1 ILE 3 2HD1 ILE 3 4.946 3.330 0.035 32 3HD1 ILE 3 3HD1 ILE 3 6.076 3.075 -1.316 33 H ASP 4 HN ASP 4 6.775 3.653 -2.972 34 HA ASP 4 HA ASP 4 7.874 1.665 -3.340 35 1HB ASP 4 2HB ASP 4 6.281 1.047 -5.802 36 2HB ASP 4 3HB ASP 4 6.844 -0.035 -4.510 37 H ASN 5 HN ASN 5 9.876 1.603 -4.184 38 HA ASN 5 HA ASN 5 11.656 2.271 -5.481 39 1HB ASN 5 2HB ASN 5 10.079 1.843 -7.970 40 2HB ASN 5 3HB ASN 5 11.649 1.169 -7.482 41 1HD2 ASN 5 1HD2 ASN 5 10.548 0.356 -4.800 42 2HD2 ASN 5 2HD2 ASN 5 9.609 -1.088 -5.111 43 H THR 6 HN THR 6 9.388 4.290 -4.885 44 HA THR 6 HA THR 6 9.579 6.093 -7.188 45 HB THR 6 HB THR 6 7.461 6.044 -6.084 46 HG1 THR 6 HG1 THR 6 8.145 8.282 -4.768 47 1HG2 THR 6 1HG2 THR 6 9.180 6.119 -3.615 48 2HG2 THR 6 2HG2 THR 6 7.546 6.819 -3.535 49 3HG2 THR 6 3HG2 THR 6 7.760 5.109 -3.978 50 H CYS 7 HN CYS 7 12.036 6.030 -6.931 51 HA CYS 7 HA CYS 7 13.182 7.451 -4.690 52 1HB CYS 7 2HB CYS 7 14.098 6.270 -7.271 53 2HB CYS 7 3HB CYS 7 15.102 7.550 -6.571 54 H ARG 8 HN ARG 8 15.008 8.963 -6.621 55 HA ARG 8 HA ARG 8 13.354 10.968 -7.872 56 1HB ARG 8 2HB ARG 8 12.881 11.840 -5.743 57 2HB ARG 8 3HB ARG 8 14.498 11.444 -5.115 58 1HG ARG 8 2HG ARG 8 14.346 13.856 -5.516 59 2HG ARG 8 3HG ARG 8 15.478 13.131 -6.683 60 1HD ARG 8 2HD ARG 8 13.922 14.731 -7.774 61 2HD ARG 8 3HD ARG 8 13.720 13.079 -8.394 62 HE ARG 8 HE ARG 8 11.779 12.947 -6.715 63 1HH1 ARG 8 2HH2 ARG 8 12.875 15.930 -8.264 64 2HH1 ARG 8 1HH2 ARG 8 11.313 16.712 -8.175 65 1HH2 ARG 8 2HH1 ARG 8 9.715 13.980 -6.597 66 2HH2 ARG 8 1HH1 ARG 8 9.511 15.600 -7.224 67 H GLY 9 HN GLY 9 16.423 9.716 -6.692 68 1HA GLY 9 1HA GLY 9 17.820 11.381 -8.739 69 2HA GLY 9 2HA GLY 9 18.563 10.838 -7.217 70 H VAL 10 HN VAL 10 16.486 8.442 -8.374 71 HA VAL 10 HA VAL 10 18.402 6.483 -8.738 72 HB VAL 10 HB VAL 10 15.982 6.057 -8.576 73 1HG1 VAL 10 1HG1 VAL 10 15.080 6.347 -11.218 74 2HG1 VAL 10 2HG1 VAL 10 14.631 7.367 -9.830 75 3HG1 VAL 10 3HG1 VAL 10 15.977 7.849 -10.892 76 1HG2 VAL 10 1HG2 VAL 10 17.775 4.592 -9.939 77 2HG2 VAL 10 2HG2 VAL 10 16.056 4.135 -9.857 78 3HG2 VAL 10 3HG2 VAL 10 16.683 4.985 -11.289 79 H MET 11 HN MET 11 17.279 8.949 -11.035 80 HA MET 11 HA MET 11 18.648 7.761 -13.298 81 1HB MET 11 2HB MET 11 18.058 9.897 -14.406 82 2HB MET 11 3HB MET 11 16.657 9.174 -13.581 83 1HG MET 11 2HG MET 11 18.449 11.229 -12.260 84 2HG MET 11 3HG MET 11 17.048 11.691 -13.241 85 1HE MET 11 1HE MET 11 14.195 11.195 -12.015 86 2HE MET 11 2HE MET 11 15.053 10.016 -13.036 87 3HE MET 11 3HE MET 11 14.338 9.500 -11.490 88 H GLY 12 HN GLY 12 19.428 10.003 -10.696 89 1HA GLY 12 1HA GLY 12 21.857 10.963 -12.024 90 2HA GLY 12 2HA GLY 12 21.293 11.369 -10.387 91 H ASN 13 HN ASN 13 20.967 8.852 -9.248 92 HA ASN 13 HA ASN 13 23.599 8.225 -8.438 93 1HB ASN 13 2HB ASN 13 21.004 6.651 -8.290 94 2HB ASN 13 3HB ASN 13 22.502 6.181 -7.458 95 1HD2 ASN 13 1HD2 ASN 13 20.243 8.961 -7.859 96 2HD2 ASN 13 2HD2 ASN 13 20.407 9.553 -6.220 97 H ARG 14 HN ARG 14 21.357 6.152 -10.368 98 HA ARG 14 HA ARG 14 21.848 4.385 -11.764 99 1HB ARG 14 2HB ARG 14 23.893 6.402 -12.774 100 2HB ARG 14 3HB ARG 14 23.204 5.041 -13.691 101 1HG ARG 14 2HG ARG 14 21.486 7.220 -12.449 102 2HG ARG 14 3HG ARG 14 22.128 7.329 -14.106 103 1HD ARG 14 2HD ARG 14 20.319 5.152 -12.984 104 2HD ARG 14 3HD ARG 14 19.878 6.389 -14.181 105 HE ARG 14 HE ARG 14 21.998 4.363 -14.745 106 1HH1 ARG 14 2HH2 ARG 14 18.983 6.037 -15.527 107 2HH1 ARG 14 1HH2 ARG 14 18.830 5.308 -17.110 108 1HH2 ARG 14 2HH1 ARG 14 21.795 3.400 -16.836 109 2HH2 ARG 14 1HH1 ARG 14 20.433 3.805 -17.856 110 H ASP 15 HN ASP 15 23.524 4.748 -9.196 111 HA ASP 15 HA ASP 15 25.602 2.776 -9.988 112 1HB ASP 15 2HB ASP 15 25.950 5.277 -8.301 113 2HB ASP 15 3HB ASP 15 27.108 3.929 -8.298 114 H ILE 16 HN ILE 16 23.913 4.405 -7.251 115 HA ILE 16 HA ILE 16 24.384 2.221 -5.434 116 HB ILE 16 HB ILE 16 22.192 4.304 -5.224 117 1HG1 ILE 16 2HG1 ILE 16 25.190 4.578 -4.783 118 2HG1 ILE 16 3HG1 ILE 16 24.146 5.568 -5.832 119 1HG2 ILE 16 1HG2 ILE 16 22.782 2.242 -3.590 120 2HG2 ILE 16 2HG2 ILE 16 23.968 3.420 -2.979 121 3HG2 ILE 16 3HG2 ILE 16 22.233 3.818 -2.969 122 1HD1 ILE 16 1HD1 ILE 16 24.016 6.986 -4.063 123 2HD1 ILE 16 2HD1 ILE 16 22.903 5.787 -3.363 124 3HD1 ILE 16 3HD1 ILE 16 24.629 5.760 -2.927 125 H TYR 17 HN TYR 17 22.345 2.600 -8.126 126 HA TYR 17 HA TYR 17 20.123 1.023 -7.075 127 1HB TYR 17 2HB TYR 17 20.084 2.878 -8.883 128 2HB TYR 17 3HB TYR 17 20.704 1.628 -9.976 129 HD1 TYR 17 HD1 TYR 17 19.320 -0.268 -10.639 130 HD2 TYR 17 HD2 TYR 17 17.814 2.769 -8.002 131 HE1 TYR 17 HE1 TYR 17 17.010 -1.092 -11.009 132 HE2 TYR 17 HE2 TYR 17 15.505 1.946 -8.371 133 HH TYR 17 HH TYR 17 14.176 0.610 -9.834 134 H LYS 18 HN LYS 18 23.156 0.522 -8.788 135 HA LYS 18 HA LYS 18 22.454 -2.157 -9.687 136 1HB LYS 18 2HB LYS 18 25.108 -0.673 -9.539 137 2HB LYS 18 3HB LYS 18 24.847 -2.238 -10.348 138 1HG LYS 18 2HG LYS 18 23.497 -1.293 -12.022 139 2HG LYS 18 3HG LYS 18 23.112 0.141 -11.040 140 1HD LYS 18 2HD LYS 18 24.709 1.141 -12.334 141 2HD LYS 18 3HD LYS 18 25.835 0.352 -11.204 142 1HE LYS 18 2HE LYS 18 24.882 -1.366 -13.427 143 2HE LYS 18 3HE LYS 18 25.880 0.016 -13.927 144 1HZ LYS 18 1HZ LYS 18 26.859 -1.436 -11.669 145 2HZ LYS 18 2HZ LYS 18 26.838 -2.294 -13.077 146 3HZ LYS 18 3HZ LYS 18 27.660 -0.867 -12.994 147 H LYS 19 HN LYS 19 24.465 -0.688 -7.097 148 HA LYS 19 HA LYS 19 25.412 -3.143 -6.025 149 1HB LYS 19 2HB LYS 19 24.874 -0.625 -4.426 150 2HB LYS 19 3HB LYS 19 26.162 -1.833 -4.197 151 1HG LYS 19 2HG LYS 19 27.239 -1.162 -6.271 152 2HG LYS 19 3HG LYS 19 25.887 -0.076 -6.671 153 1HD LYS 19 2HD LYS 19 27.905 0.198 -4.413 154 2HD LYS 19 3HD LYS 19 27.604 1.324 -5.759 155 1HE LYS 19 2HE LYS 19 25.100 1.094 -4.603 156 2HE LYS 19 3HE LYS 19 26.177 1.014 -3.192 157 1HZ LYS 19 1HZ LYS 19 25.576 3.205 -4.887 158 2HZ LYS 19 2HZ LYS 19 26.201 3.189 -3.361 159 3HZ LYS 19 3HZ LYS 19 27.198 3.005 -4.662 160 H VAL 20 HN VAL 20 22.520 -1.145 -5.325 161 HA VAL 20 HA VAL 20 21.596 -2.637 -3.103 162 HB VAL 20 HB VAL 20 19.354 -1.656 -3.780 163 1HG1 VAL 20 1HG1 VAL 20 20.402 -0.218 -2.323 164 2HG1 VAL 20 2HG1 VAL 20 21.900 -0.169 -3.284 165 3HG1 VAL 20 3HG1 VAL 20 20.492 0.802 -3.779 166 1HG2 VAL 20 1HG2 VAL 20 21.089 -0.725 -6.095 167 2HG2 VAL 20 2HG2 VAL 20 19.527 -1.578 -6.164 168 3HG2 VAL 20 3HG2 VAL 20 19.593 0.118 -5.625 169 H VAL 21 HN VAL 21 20.185 -2.696 -6.424 170 HA VAL 21 HA VAL 21 18.639 -4.951 -6.193 171 HB VAL 21 HB VAL 21 18.931 -3.400 -8.195 172 1HG1 VAL 21 1HG1 VAL 21 21.301 -3.473 -8.538 173 2HG1 VAL 21 2HG1 VAL 21 21.314 -5.253 -8.555 174 3HG1 VAL 21 3HG1 VAL 21 20.586 -4.355 -9.908 175 1HG2 VAL 21 1HG2 VAL 21 17.920 -4.967 -9.565 176 2HG2 VAL 21 2HG2 VAL 21 19.104 -6.235 -9.166 177 3HG2 VAL 21 3HG2 VAL 21 17.811 -5.830 -8.012 178 H ARG 22 HN ARG 22 22.135 -4.749 -6.215 179 HA ARG 22 HA ARG 22 22.598 -7.518 -6.900 180 1HB ARG 22 2HB ARG 22 24.192 -5.463 -7.059 181 2HB ARG 22 3HB ARG 22 24.490 -5.759 -5.330 182 1HG ARG 22 2HG ARG 22 26.151 -7.073 -6.326 183 2HG ARG 22 3HG ARG 22 24.839 -8.256 -6.109 184 1HD ARG 22 2HD ARG 22 24.814 -8.616 -8.327 185 2HD ARG 22 3HD ARG 22 24.373 -6.915 -8.586 186 HE ARG 22 HE ARG 22 26.472 -6.656 -9.480 187 1HH1 ARG 22 2HH2 ARG 22 26.584 -9.079 -6.908 188 2HH1 ARG 22 1HH2 ARG 22 28.306 -9.352 -7.052 189 1HH2 ARG 22 2HH1 ARG 22 28.747 -7.016 -9.670 190 2HH2 ARG 22 1HH1 ARG 22 29.539 -8.175 -8.627 191 H VAL 23 HN VAL 23 22.236 -5.629 -3.889 192 HA VAL 23 HA VAL 23 22.864 -7.905 -2.196 193 HB VAL 23 HB VAL 23 23.226 -5.451 -1.627 194 1HG1 VAL 23 1HG1 VAL 23 21.434 -4.103 -1.906 195 2HG1 VAL 23 2HG1 VAL 23 20.337 -5.494 -2.073 196 3HG1 VAL 23 3HG1 VAL 23 20.738 -4.867 -0.457 197 1HG2 VAL 23 1HG2 VAL 23 22.707 -7.624 -0.040 198 2HG2 VAL 23 2HG2 VAL 23 23.169 -6.023 0.584 199 3HG2 VAL 23 3HG2 VAL 23 21.453 -6.491 0.519 200 H CYS 24 HN CYS 24 20.054 -6.607 -3.815 201 HA CYS 24 HA CYS 24 18.058 -7.726 -2.091 202 1HB CYS 24 2HB CYS 24 17.934 -7.095 -5.057 203 2HB CYS 24 3HB CYS 24 16.554 -7.311 -3.968 204 H GLU 25 HN GLU 25 19.288 -8.793 -5.319 205 HA GLU 25 HA GLU 25 17.944 -11.259 -5.366 206 1HB GLU 25 2HB GLU 25 19.651 -11.908 -7.026 207 2HB GLU 25 3HB GLU 25 19.080 -10.246 -7.307 208 1HG GLU 25 2HG GLU 25 21.210 -9.539 -7.174 209 2HG GLU 25 3HG GLU 25 21.232 -10.044 -5.471 210 H ASP 26 HN ASP 26 21.218 -10.438 -4.125 211 HA ASP 26 HA ASP 26 22.124 -12.956 -3.429 212 1HB ASP 26 2HB ASP 26 22.486 -10.189 -2.365 213 2HB ASP 26 3HB ASP 26 23.034 -11.528 -1.333 214 H CYS 27 HN CYS 27 20.569 -10.749 -1.035 215 HA CYS 27 HA CYS 27 20.085 -12.691 0.910 216 1HB CYS 27 2HB CYS 27 18.603 -11.121 1.888 217 2HB CYS 27 3HB CYS 27 19.860 -10.175 1.075 218 H THR 28 HN THR 28 17.965 -11.606 -1.788 219 HA THR 28 HA THR 28 15.676 -13.040 -1.258 220 HB THR 28 HB THR 28 17.113 -12.553 -3.891 221 HG1 THR 28 HG1 THR 28 16.342 -10.663 -3.439 222 1HG2 THR 28 1HG2 THR 28 14.424 -12.852 -4.461 223 2HG2 THR 28 2HG2 THR 28 15.667 -14.097 -4.727 224 3HG2 THR 28 3HG2 THR 28 14.690 -14.118 -3.239 225 H ASN 29 HN ASN 29 18.842 -14.266 -2.163 226 HA ASN 29 HA ASN 29 17.826 -16.925 -2.828 227 1HB ASN 29 2HB ASN 29 20.662 -15.933 -2.365 228 2HB ASN 29 3HB ASN 29 20.191 -17.475 -3.111 229 1HD2 ASN 29 1HD2 ASN 29 21.790 -16.141 -4.693 230 2HD2 ASN 29 2HD2 ASN 29 20.946 -15.283 -5.964 231 H ILE 30 HN ILE 30 19.570 -15.313 -0.143 232 HA ILE 30 HA ILE 30 20.174 -17.476 1.467 233 HB ILE 30 HB ILE 30 19.286 -14.649 2.038 234 1HG1 ILE 30 2HG1 ILE 30 21.615 -14.479 2.830 235 2HG1 ILE 30 3HG1 ILE 30 21.851 -16.219 2.540 236 1HG2 ILE 30 1HG2 ILE 30 18.585 -15.324 4.090 237 2HG2 ILE 30 2HG2 ILE 30 19.284 -16.948 3.887 238 3HG2 ILE 30 3HG2 ILE 30 20.309 -15.600 4.434 239 1HD1 ILE 30 1HD1 ILE 30 21.159 -14.126 0.433 240 2HD1 ILE 30 2HD1 ILE 30 22.744 -14.904 0.656 241 3HD1 ILE 30 3HD1 ILE 30 21.344 -15.870 0.131 242 H PHE 31 HN PHE 31 17.073 -15.622 1.480 243 HA PHE 31 HA PHE 31 15.836 -17.752 3.089 244 1HB PHE 31 2HB PHE 31 14.540 -15.264 1.953 245 2HB PHE 31 3HB PHE 31 14.010 -16.243 3.332 246 HD1 PHE 31 HD1 PHE 31 16.383 -13.678 2.166 247 HD2 PHE 31 HD2 PHE 31 15.080 -16.036 5.511 248 HE1 PHE 31 HE1 PHE 31 17.648 -12.198 3.702 249 HE2 PHE 31 HE2 PHE 31 16.344 -14.556 7.047 250 HZ PHE 31 HZ PHE 31 17.628 -12.636 6.143 251 H ARG 32 HN ARG 32 16.220 -16.808 -0.219 252 HA ARG 32 HA ARG 32 15.517 -17.873 -2.132 253 1HB ARG 32 2HB ARG 32 15.008 -19.796 -0.073 254 2HB ARG 32 3HB ARG 32 13.604 -19.778 -1.167 255 1HG ARG 32 2HG ARG 32 16.266 -19.662 -2.493 256 2HG ARG 32 3HG ARG 32 15.890 -21.189 -1.660 257 1HD ARG 32 2HD ARG 32 13.997 -19.821 -3.609 258 2HD ARG 32 3HD ARG 32 15.152 -21.083 -4.087 259 HE ARG 32 HE ARG 32 12.993 -21.519 -2.064 260 1HH1 ARG 32 2HH2 ARG 32 14.966 -22.525 -4.820 261 2HH1 ARG 32 1HH2 ARG 32 14.219 -24.101 -4.954 262 1HH2 ARG 32 2HH1 ARG 32 12.006 -23.601 -2.241 263 2HH2 ARG 32 1HH1 ARG 32 12.532 -24.715 -3.484 264 H LEU 33 HN LEU 33 13.226 -16.971 0.397 265 HA LEU 33 HA LEU 33 10.796 -16.963 -0.882 266 1HB LEU 33 2HB LEU 33 12.088 -14.940 0.969 267 2HB LEU 33 3HB LEU 33 10.403 -14.776 0.421 268 HG LEU 33 HG LEU 33 10.198 -17.287 1.187 269 1HD1 LEU 33 1HD1 LEU 33 11.992 -16.835 3.402 270 2HD1 LEU 33 2HD1 LEU 33 11.988 -18.173 2.228 271 3HD1 LEU 33 3HD1 LEU 33 12.903 -16.686 1.880 272 1HD2 LEU 33 1HD2 LEU 33 9.640 -14.798 2.352 273 2HD2 LEU 33 2HD2 LEU 33 8.996 -16.374 2.871 274 3HD2 LEU 33 3HD2 LEU 33 10.457 -15.711 3.643 275 HA PRO 34 HA PRO 34 11.500 -14.464 -4.477 276 1HB PRO 34 2HB PRO 34 8.957 -14.511 -5.453 277 2HB PRO 34 3HB PRO 34 9.989 -15.978 -5.433 278 1HG PRO 34 2HG PRO 34 7.916 -15.161 -3.377 279 2HG PRO 34 3HG PRO 34 8.049 -16.739 -4.221 280 1HD PRO 34 2HD PRO 34 9.114 -16.359 -1.741 281 2HD PRO 34 3HD PRO 34 9.994 -17.319 -2.969 282 H GLY 35 HN GLY 35 8.970 -13.896 -2.027 283 1HA GLY 35 1HA GLY 35 8.624 -11.106 -2.875 284 2HA GLY 35 2HA GLY 35 7.788 -11.937 -1.543 285 H LEU 36 HN LEU 36 11.074 -10.814 -2.517 286 HA LEU 36 HA LEU 36 11.403 -9.534 0.091 287 1HB LEU 36 2HB LEU 36 12.070 -11.936 0.451 288 2HB LEU 36 3HB LEU 36 13.333 -11.715 -0.783 289 HG LEU 36 HG LEU 36 13.975 -9.608 0.682 290 1HD1 LEU 36 1HD1 LEU 36 13.560 -10.646 3.172 291 2HD1 LEU 36 2HD1 LEU 36 12.500 -9.427 2.424 292 3HD1 LEU 36 3HD1 LEU 36 12.057 -11.150 2.361 293 1HD2 LEU 36 1HD2 LEU 36 15.249 -11.343 2.244 294 2HD2 LEU 36 2HD2 LEU 36 14.571 -12.530 1.104 295 3HD2 LEU 36 3HD2 LEU 36 15.633 -11.231 0.509 296 H ASP 37 HN ASP 37 12.817 -10.544 -3.040 297 HA ASP 37 HA ASP 37 14.979 -8.817 -3.203 298 1HB ASP 37 2HB ASP 37 14.390 -10.525 -4.886 299 2HB ASP 37 3HB ASP 37 13.000 -9.543 -5.396 300 H GLY 38 HN GLY 38 11.730 -8.097 -4.614 301 1HA GLY 38 1HA GLY 38 12.054 -5.468 -5.271 302 2HA GLY 38 2HA GLY 38 10.540 -6.111 -4.595 303 H MET 39 HN MET 39 10.847 -6.548 -2.039 304 HA MET 39 HA MET 39 10.735 -4.152 -0.727 305 1HB MET 39 2HB MET 39 11.834 -6.799 0.296 306 2HB MET 39 3HB MET 39 11.359 -5.433 1.334 307 1HG MET 39 2HG MET 39 9.148 -5.816 1.045 308 2HG MET 39 3HG MET 39 9.337 -6.170 -0.681 309 1HE MET 39 1HE MET 39 11.205 -7.675 2.264 310 2HE MET 39 2HE MET 39 9.606 -7.827 3.030 311 3HE MET 39 3HE MET 39 10.489 -9.285 2.518 312 H CYS 40 HN CYS 40 13.689 -6.230 -0.812 313 HA CYS 40 HA CYS 40 15.479 -4.594 0.456 314 1HB CYS 40 2HB CYS 40 16.237 -6.690 -0.282 315 2HB CYS 40 3HB CYS 40 15.737 -6.388 -1.954 316 H ARG 41 HN ARG 41 14.162 -4.217 -2.830 317 HA ARG 41 HA ARG 41 15.503 -1.557 -2.940 318 1HB ARG 41 2HB ARG 41 15.391 -1.986 -5.499 319 2HB ARG 41 3HB ARG 41 16.656 -2.818 -4.563 320 1HG ARG 41 2HG ARG 41 15.817 -4.644 -5.691 321 2HG ARG 41 3HG ARG 41 14.684 -4.645 -4.318 322 1HD ARG 41 2HD ARG 41 12.960 -3.672 -5.571 323 2HD ARG 41 3HD ARG 41 14.080 -2.993 -6.771 324 HE ARG 41 HE ARG 41 13.658 -5.939 -6.562 325 1HH1 ARG 41 2HH2 ARG 41 13.616 -2.900 -8.369 326 2HH1 ARG 41 1HH2 ARG 41 13.336 -3.666 -9.917 327 1HH2 ARG 41 2HH1 ARG 41 13.288 -6.950 -8.607 328 2HH2 ARG 41 1HH1 ARG 41 13.149 -5.975 -10.053 329 H ASN 42 HN ASN 42 12.972 -1.993 -1.767 330 HA ASN 42 HA ASN 42 11.063 -1.140 -3.874 331 1HB ASN 42 2HB ASN 42 10.580 -3.077 -2.273 332 2HB ASN 42 3HB ASN 42 10.465 -1.854 -0.989 333 1HD2 ASN 42 1HD2 ASN 42 8.828 -0.168 -1.170 334 2HD2 ASN 42 2HD2 ASN 42 7.372 -0.465 -2.096 335 H ARG 43 HN ARG 43 9.287 0.394 -2.679 336 HA ARG 43 HA ARG 43 9.192 2.753 -2.497 337 1HB ARG 43 2HB ARG 43 9.568 3.180 0.055 338 2HB ARG 43 3HB ARG 43 8.291 2.048 -0.451 339 1HG ARG 43 2HG ARG 43 10.790 0.619 -0.273 340 2HG ARG 43 3HG ARG 43 10.535 1.524 1.238 341 1HD ARG 43 2HD ARG 43 8.602 0.371 1.766 342 2HD ARG 43 3HD ARG 43 8.193 0.064 0.065 343 HE ARG 43 HE ARG 43 10.565 -1.324 1.139 344 1HH1 ARG 43 2HH2 ARG 43 7.137 -1.394 0.274 345 2HH1 ARG 43 1HH2 ARG 43 7.053 -3.140 0.194 346 1HH2 ARG 43 2HH1 ARG 43 10.453 -3.630 1.034 347 2HH2 ARG 43 1HH1 ARG 43 8.943 -4.414 0.627 348 H CYS 44 HN CYS 44 11.524 2.411 -3.839 349 HA CYS 44 HA CYS 44 13.548 3.395 -4.250 350 1HB CYS 44 2HB CYS 44 12.299 5.453 -3.860 351 2HB CYS 44 3HB CYS 44 12.544 5.302 -2.113 352 H PHE 45 HN PHE 45 13.916 1.171 -2.890 353 HA PHE 45 HA PHE 45 15.056 0.102 -1.167 354 1HB PHE 45 2HB PHE 45 17.143 2.198 -1.787 355 2HB PHE 45 3HB PHE 45 17.380 0.493 -1.367 356 HD1 PHE 45 HD1 PHE 45 15.841 2.664 -4.014 357 HD2 PHE 45 HD2 PHE 45 17.744 -1.067 -3.057 358 HE1 PHE 45 HE1 PHE 45 15.909 2.080 -6.423 359 HE2 PHE 45 HE2 PHE 45 17.812 -1.650 -5.466 360 HZ PHE 45 HZ PHE 45 16.895 -0.076 -7.150 361 H TYR 46 HN TYR 46 13.320 2.271 -0.210 362 HA TYR 46 HA TYR 46 14.921 3.132 2.155 363 1HB TYR 46 2HB TYR 46 13.933 4.852 0.445 364 2HB TYR 46 3HB TYR 46 12.389 4.476 1.230 365 HD1 TYR 46 HD1 TYR 46 15.370 6.447 1.370 366 HD2 TYR 46 HD2 TYR 46 12.287 4.714 3.808 367 HE1 TYR 46 HE1 TYR 46 15.902 8.053 3.184 368 HE2 TYR 46 HE2 TYR 46 12.819 6.320 5.621 369 HH TYR 46 HH TYR 46 15.509 7.971 5.969 370 H ASN 47 HN ASN 47 14.434 1.072 3.168 371 HA ASN 47 HA ASN 47 12.091 1.199 4.803 372 1HB ASN 47 2HB ASN 47 11.398 0.307 2.368 373 2HB ASN 47 3HB ASN 47 11.983 -1.224 3.054 374 1HD2 ASN 47 1HD2 ASN 47 11.081 -1.880 5.200 375 2HD2 ASN 47 2HD2 ASN 47 9.415 -1.472 5.554 376 H GLU 48 HN GLU 48 15.048 0.855 4.863 377 HA GLU 48 HA GLU 48 16.614 -0.391 5.975 378 1HB GLU 48 2HB GLU 48 15.967 -1.178 8.071 379 2HB GLU 48 3HB GLU 48 14.659 -0.031 7.699 380 1HG GLU 48 2HG GLU 48 13.104 -1.677 7.513 381 2HG GLU 48 3HG GLU 48 14.215 -2.755 6.640 382 H TRP 49 HN TRP 49 14.175 -1.846 4.103 383 HA TRP 49 HA TRP 49 14.570 -4.584 4.389 384 1HB TRP 49 2HB TRP 49 13.908 -2.767 2.097 385 2HB TRP 49 3HB TRP 49 14.237 -4.473 1.764 386 HD1 TRP 49 HD1 TRP 49 11.405 -2.525 1.883 387 HE1 TRP 49 HE1 TRP 49 9.331 -3.653 2.840 388 HE3 TRP 49 HE3 TRP 49 13.660 -6.400 4.353 389 HZ2 TRP 49 HZ2 TRP 49 8.714 -5.956 4.479 390 HZ3 TRP 49 HZ3 TRP 49 12.298 -8.038 5.599 391 HH2 TRP 49 HH2 TRP 49 9.831 -7.831 5.672 392 H PHE 50 HN PHE 50 16.908 -2.240 3.667 393 HA PHE 50 HA PHE 50 18.563 -3.909 1.944 394 1HB PHE 50 2HB PHE 50 18.368 -1.256 2.281 395 2HB PHE 50 3HB PHE 50 19.657 -1.576 3.454 396 HD1 PHE 50 HD1 PHE 50 18.693 -2.004 -0.125 397 HD2 PHE 50 HD2 PHE 50 21.881 -1.951 2.752 398 HE1 PHE 50 HE1 PHE 50 20.354 -2.054 -1.966 399 HE2 PHE 50 HE2 PHE 50 23.543 -2.002 0.912 400 HZ PHE 50 HZ PHE 50 22.779 -2.053 -1.447 401 H LEU 51 HN LEU 51 18.254 -3.138 5.395 402 HA LEU 51 HA LEU 51 20.764 -4.354 6.146 403 1HB LEU 51 2HB LEU 51 19.556 -2.602 7.470 404 2HB LEU 51 3HB LEU 51 18.290 -3.801 7.830 405 HG LEU 51 HG LEU 51 20.781 -5.059 8.387 406 1HD1 LEU 51 1HD1 LEU 51 21.963 -3.579 9.788 407 2HD1 LEU 51 2HD1 LEU 51 21.510 -2.547 8.411 408 3HD1 LEU 51 3HD1 LEU 51 20.584 -2.462 9.929 409 1HD2 LEU 51 1HD2 LEU 51 18.650 -3.841 10.195 410 2HD2 LEU 51 2HD2 LEU 51 18.650 -5.491 9.528 411 3HD2 LEU 51 3HD2 LEU 51 19.885 -5.012 10.717 412 H ILE 52 HN ILE 52 17.366 -5.411 5.890 413 HA ILE 52 HA ILE 52 17.582 -7.880 7.220 414 HB ILE 52 HB ILE 52 15.903 -7.115 4.798 415 1HG1 ILE 52 2HG1 ILE 52 14.176 -6.923 6.766 416 2HG1 ILE 52 3HG1 ILE 52 15.625 -6.761 7.788 417 1HG2 ILE 52 1HG2 ILE 52 14.536 -8.950 6.418 418 2HG2 ILE 52 2HG2 ILE 52 15.296 -9.293 4.846 419 3HG2 ILE 52 3HG2 ILE 52 16.199 -9.581 6.353 420 1HD1 ILE 52 1HD1 ILE 52 15.943 -5.102 5.451 421 2HD1 ILE 52 2HD1 ILE 52 14.363 -4.752 6.195 422 3HD1 ILE 52 3HD1 ILE 52 15.852 -4.610 7.159 423 H CYS 53 HN CYS 53 18.350 -6.948 3.850 424 HA CYS 53 HA CYS 53 19.015 -9.664 3.077 425 1HB CYS 53 2HB CYS 53 19.439 -6.938 1.824 426 2HB CYS 53 3HB CYS 53 19.974 -8.445 1.064 427 H LEU 54 HN LEU 54 20.873 -6.661 3.799 428 HA LEU 54 HA LEU 54 23.445 -7.714 3.421 429 1HB LEU 54 2HB LEU 54 22.222 -5.465 4.961 430 2HB LEU 54 3HB LEU 54 23.877 -5.945 5.409 431 HG LEU 54 HG LEU 54 23.767 -5.942 2.562 432 1HD1 LEU 54 1HD1 LEU 54 23.273 -3.302 2.538 433 2HD1 LEU 54 2HD1 LEU 54 21.984 -4.501 2.277 434 3HD1 LEU 54 3HD1 LEU 54 22.193 -3.754 3.879 435 1HD2 LEU 54 1HD2 LEU 54 25.124 -3.656 3.257 436 2HD2 LEU 54 2HD2 LEU 54 25.153 -4.558 4.792 437 3HD2 LEU 54 3HD2 LEU 54 25.820 -5.293 3.315 438 H LYS 55 HN LYS 55 21.153 -8.091 6.088 439 HA LYS 55 HA LYS 55 23.052 -9.115 7.984 440 1HB LYS 55 2HB LYS 55 20.163 -8.679 7.772 441 2HB LYS 55 3HB LYS 55 20.558 -10.193 8.620 442 1HG LYS 55 2HG LYS 55 21.257 -9.058 10.441 443 2HG LYS 55 3HG LYS 55 22.353 -8.061 9.454 444 1HD LYS 55 2HD LYS 55 20.973 -6.311 9.794 445 2HD LYS 55 3HD LYS 55 19.729 -7.168 8.853 446 1HE LYS 55 2HE LYS 55 19.098 -6.448 11.247 447 2HE LYS 55 3HE LYS 55 18.767 -8.134 10.793 448 1HZ LYS 55 1HZ LYS 55 20.635 -8.836 11.958 449 2HZ LYS 55 2HZ LYS 55 21.221 -7.307 12.158 450 3HZ LYS 55 3HZ LYS 55 19.864 -7.783 12.966 451 H ALA 56 HN ALA 56 20.762 -10.629 5.664 452 HA ALA 56 HA ALA 56 21.434 -13.317 6.384 453 1HB ALA 56 1HB ALA 56 20.413 -13.756 4.047 454 2HB ALA 56 2HB ALA 56 19.370 -13.001 5.277 455 3HB ALA 56 3HB ALA 56 20.107 -12.003 4.000 456 H ALA 57 HN ALA 57 23.195 -10.878 4.802 457 HA ALA 57 HA ALA 57 24.790 -12.854 3.261 458 1HB ALA 57 1HB ALA 57 24.256 -11.099 1.820 459 2HB ALA 57 2HB ALA 57 24.353 -9.874 3.109 460 3HB ALA 57 3HB ALA 57 25.843 -10.586 2.442 461 H ASN 58 HN ASN 58 24.663 -11.789 6.322 462 HA ASN 58 HA ASN 58 26.206 -11.779 8.019 463 1HB ASN 58 2HB ASN 58 27.580 -13.501 7.567 464 2HB ASN 58 3HB ASN 58 27.558 -13.162 5.823 465 1HD2 ASN 58 1HD2 ASN 58 28.818 -11.047 5.220 466 2HD2 ASN 58 2HD2 ASN 58 30.394 -10.883 5.964 467 H ARG 59 HN ARG 59 26.257 -9.797 5.299 468 HA ARG 59 HA ARG 59 28.553 -8.189 5.753 469 1HB ARG 59 2HB ARG 59 26.096 -8.117 4.158 470 2HB ARG 59 3HB ARG 59 26.588 -6.501 4.719 471 1HG ARG 59 2HG ARG 59 28.285 -6.456 3.237 472 2HG ARG 59 3HG ARG 59 28.920 -7.995 3.866 473 1HD ARG 59 2HD ARG 59 27.451 -9.266 2.422 474 2HD ARG 59 3HD ARG 59 26.593 -7.795 1.916 475 HE ARG 59 HE ARG 59 28.157 -7.684 0.234 476 1HH1 ARG 59 2HH2 ARG 59 29.683 -8.881 3.191 477 2HH1 ARG 59 1HH2 ARG 59 31.289 -8.941 2.500 478 1HH2 ARG 59 2HH1 ARG 59 30.279 -7.764 -0.678 479 2HH2 ARG 59 1HH1 ARG 59 31.629 -8.305 0.294 480 H GLU 60 HN GLU 60 25.153 -7.178 6.389 481 HA GLU 60 HA GLU 60 24.487 -5.481 7.851 482 1HB GLU 60 2HB GLU 60 24.197 -7.753 8.934 483 2HB GLU 60 3HB GLU 60 25.720 -7.456 9.805 484 1HG GLU 60 2HG GLU 60 24.820 -5.567 10.946 485 2HG GLU 60 3HG GLU 60 23.420 -5.477 9.855 486 H ASP 61 HN ASP 61 26.857 -4.608 6.759 487 HA ASP 61 HA ASP 61 28.045 -3.217 9.084 488 1HB ASP 61 2HB ASP 61 29.392 -5.151 7.292 489 2HB ASP 61 3HB ASP 61 30.242 -3.604 7.491 490 H GLU 62 HN GLU 62 27.616 -3.543 5.551 491 HA GLU 62 HA GLU 62 28.429 -0.748 5.143 492 1HB GLU 62 2HB GLU 62 27.237 -2.594 3.065 493 2HB GLU 62 3HB GLU 62 28.390 -1.256 2.846 494 1HG GLU 62 2HG GLU 62 30.151 -2.512 3.939 495 2HG GLU 62 3HG GLU 62 29.013 -3.798 4.398 496 H ILE 63 HN ILE 63 26.158 -1.185 6.871 497 HA ILE 63 HA ILE 63 23.770 -0.628 5.286 498 HB ILE 63 HB ILE 63 24.142 -0.418 8.293 499 1HG1 ILE 63 2HG1 ILE 63 24.963 -2.616 7.396 500 2HG1 ILE 63 3HG1 ILE 63 23.513 -2.774 8.417 501 1HG2 ILE 63 1HG2 ILE 63 22.046 0.444 7.016 502 2HG2 ILE 63 2HG2 ILE 63 21.696 -1.277 6.722 503 3HG2 ILE 63 3HG2 ILE 63 21.789 -0.659 8.389 504 1HD1 ILE 63 1HD1 ILE 63 22.104 -3.164 6.575 505 2HD1 ILE 63 2HD1 ILE 63 23.245 -2.429 5.424 506 3HD1 ILE 63 3HD1 ILE 63 23.588 -4.032 6.117 507 H GLU 64 HN GLU 64 25.804 1.136 7.689 508 HA GLU 64 HA GLU 64 24.459 3.586 7.596 509 1HB GLU 64 2HB GLU 64 26.627 4.553 8.325 510 2HB GLU 64 3HB GLU 64 26.229 3.060 9.210 511 1HG GLU 64 2HG GLU 64 27.601 2.164 6.942 512 2HG GLU 64 3HG GLU 64 28.480 3.631 7.422 513 H LYS 65 HN LYS 65 27.202 2.435 5.563 514 HA LYS 65 HA LYS 65 27.443 4.761 3.986 515 1HB LYS 65 2HB LYS 65 28.513 3.215 2.337 516 2HB LYS 65 3HB LYS 65 29.129 3.004 3.994 517 1HG LYS 65 2HG LYS 65 28.441 0.856 4.031 518 2HG LYS 65 3HG LYS 65 26.789 1.334 3.571 519 1HD LYS 65 2HD LYS 65 27.429 -0.011 1.760 520 2HD LYS 65 3HD LYS 65 27.835 1.619 1.171 521 1HE LYS 65 2HE LYS 65 30.076 0.706 2.669 522 2HE LYS 65 3HE LYS 65 29.582 -0.642 1.621 523 1HZ LYS 65 1HZ LYS 65 29.705 1.994 0.450 524 2HZ LYS 65 2HZ LYS 65 31.138 1.255 0.799 525 3HZ LYS 65 3HZ LYS 65 30.057 0.525 -0.210 526 H PHE 66 HN PHE 66 25.520 1.764 3.443 527 HA PHE 66 HA PHE 66 24.355 2.731 0.999 528 1HB PHE 66 2HB PHE 66 24.105 0.405 2.810 529 2HB PHE 66 3HB PHE 66 22.625 0.828 1.932 530 HD1 PHE 66 HD1 PHE 66 25.806 -0.820 1.761 531 HD2 PHE 66 HD2 PHE 66 22.790 1.092 -0.627 532 HE1 PHE 66 HE1 PHE 66 26.678 -1.966 -0.258 533 HE2 PHE 66 HE2 PHE 66 23.662 -0.054 -2.646 534 HZ PHE 66 HZ PHE 66 25.606 -1.583 -2.461 535 H ARG 67 HN ARG 67 23.783 3.332 4.361 536 HA ARG 67 HA ARG 67 20.991 3.878 4.288 537 1HB ARG 67 2HB ARG 67 22.763 3.672 6.262 538 2HB ARG 67 3HB ARG 67 22.854 5.437 6.054 539 1HG ARG 67 2HG ARG 67 20.939 5.644 7.223 540 2HG ARG 67 3HG ARG 67 20.093 4.730 5.952 541 1HD ARG 67 2HD ARG 67 21.561 2.831 7.473 542 2HD ARG 67 3HD ARG 67 20.774 3.909 8.645 543 HE ARG 67 HE ARG 67 19.233 2.615 6.439 544 1HH1 ARG 67 2HH2 ARG 67 19.797 3.341 9.853 545 2HH1 ARG 67 1HH2 ARG 67 18.289 2.638 10.393 546 1HH2 ARG 67 2HH1 ARG 67 17.241 1.686 7.153 547 2HH2 ARG 67 1HH1 ARG 67 16.832 1.694 8.853 548 H VAL 68 HN VAL 68 23.808 6.140 4.176 549 HA VAL 68 HA VAL 68 22.250 8.432 3.561 550 HB VAL 68 HB VAL 68 24.705 8.208 4.390 551 1HG1 VAL 68 1HG1 VAL 68 26.338 8.424 2.472 552 2HG1 VAL 68 2HG1 VAL 68 25.577 6.820 2.601 553 3HG1 VAL 68 3HG1 VAL 68 25.015 7.975 1.369 554 1HG2 VAL 68 1HG2 VAL 68 23.431 10.324 3.760 555 2HG2 VAL 68 2HG2 VAL 68 25.198 10.417 3.565 556 3HG2 VAL 68 3HG2 VAL 68 24.157 10.183 2.141 557 H TRP 69 HN TRP 69 23.883 5.986 1.521 558 HA TRP 69 HA TRP 69 23.654 7.200 -0.971 559 1HB TRP 69 2HB TRP 69 23.329 4.308 -0.131 560 2HB TRP 69 3HB TRP 69 23.426 4.827 -1.820 561 HD1 TRP 69 HD1 TRP 69 25.719 7.045 -0.248 562 HE1 TRP 69 HE1 TRP 69 28.132 6.233 -0.302 563 HE3 TRP 69 HE3 TRP 69 24.890 2.128 -1.401 564 HZ2 TRP 69 HZ2 TRP 69 29.543 3.753 -0.786 565 HZ3 TRP 69 HZ3 TRP 69 26.790 0.574 -1.650 566 HH2 TRP 69 HH2 TRP 69 29.117 1.368 -1.347 567 H ILE 70 HN ILE 70 21.299 4.802 0.349 568 HA ILE 70 HA ILE 70 19.297 5.124 -1.525 569 HB ILE 70 HB ILE 70 19.252 4.537 1.442 570 1HG1 ILE 70 2HG1 ILE 70 18.139 2.535 -0.310 571 2HG1 ILE 70 3HG1 ILE 70 19.704 3.069 -0.967 572 1HG2 ILE 70 1HG2 ILE 70 16.875 4.018 1.264 573 2HG2 ILE 70 2HG2 ILE 70 17.129 5.713 0.781 574 3HG2 ILE 70 3HG2 ILE 70 16.871 4.463 -0.460 575 1HD1 ILE 70 1HD1 ILE 70 19.848 2.785 1.927 576 2HD1 ILE 70 2HD1 ILE 70 19.278 1.276 1.176 577 3HD1 ILE 70 3HD1 ILE 70 20.826 1.993 0.669 578 H SER 71 HN SER 71 20.201 7.278 1.140 579 HA SER 71 HA SER 71 17.820 8.908 0.954 580 1HB SER 71 2HB SER 71 20.307 8.800 2.513 581 2HB SER 71 3HB SER 71 19.816 10.462 2.108 582 HG SER 71 HG SER 71 17.632 9.640 2.803 583 H ILE 72 HN ILE 72 21.089 8.936 -0.460 584 HA ILE 72 HA ILE 72 21.076 11.535 -1.539 585 HB ILE 72 HB ILE 72 22.313 8.944 -2.543 586 1HG1 ILE 72 2HG1 ILE 72 23.716 11.279 -1.230 587 2HG1 ILE 72 3HG1 ILE 72 22.890 10.055 -0.235 588 1HG2 ILE 72 1HG2 ILE 72 22.570 10.182 -4.454 589 2HG2 ILE 72 2HG2 ILE 72 22.289 11.726 -3.614 590 3HG2 ILE 72 3HG2 ILE 72 23.884 10.941 -3.524 591 1HD1 ILE 72 1HD1 ILE 72 24.821 8.872 -0.403 592 2HD1 ILE 72 2HD1 ILE 72 24.290 8.507 -2.062 593 3HD1 ILE 72 3HD1 ILE 72 25.407 9.861 -1.763 594 H LEU 73 HN LEU 73 19.572 8.511 -2.660 595 HA LEU 73 HA LEU 73 18.896 9.410 -5.277 596 1HB LEU 73 2HB LEU 73 17.680 7.331 -3.423 597 2HB LEU 73 3HB LEU 73 17.167 7.568 -5.111 598 HG LEU 73 HG LEU 73 20.069 7.434 -4.930 599 1HD1 LEU 73 1HD1 LEU 73 19.457 4.729 -4.470 600 2HD1 LEU 73 2HD1 LEU 73 20.318 5.825 -3.363 601 3HD1 LEU 73 3HD1 LEU 73 18.557 5.614 -3.215 602 1HD2 LEU 73 1HD2 LEU 73 17.987 6.763 -6.682 603 2HD2 LEU 73 2HD2 LEU 73 19.719 6.441 -6.932 604 3HD2 LEU 73 3HD2 LEU 73 18.678 5.193 -6.206 605 H ASN 74 HN ASN 74 17.093 9.427 -2.163 606 HA ASN 74 HA ASN 74 14.653 10.406 -2.991 607 1HB ASN 74 2HB ASN 74 16.324 10.641 -0.539 608 2HB ASN 74 3HB ASN 74 15.000 11.815 -0.699 609 1HD2 ASN 74 1HD2 ASN 74 15.227 9.645 1.256 610 2HD2 ASN 74 2HD2 ASN 74 13.857 8.587 0.993 611 H ALA 75 HN ALA 75 17.733 12.160 -2.662 612 HA ALA 75 HA ALA 75 18.257 14.371 -3.073 613 1HB ALA 75 1HB ALA 75 16.766 14.849 -5.422 614 2HB ALA 75 2HB ALA 75 18.431 14.231 -5.309 615 3HB ALA 75 3HB ALA 75 17.064 13.094 -5.394 616 H GLY 76 HN GLY 76 15.710 13.808 -1.489 617 1HA GLY 76 1HA GLY 76 14.342 15.317 -0.351 618 2HA GLY 76 2HA GLY 76 14.754 16.578 -1.535 619 H GLN 77 HN GLN 77 14.162 14.784 -3.843 620 HA GLN 77 HA GLN 77 12.322 14.775 -5.269 621 1HB GLN 77 2HB GLN 77 10.998 12.863 -4.836 622 2HB GLN 77 3HB GLN 77 12.541 12.527 -4.015 623 1HG GLN 77 2HG GLN 77 10.749 14.013 -2.271 624 2HG GLN 77 3HG GLN 77 9.959 12.537 -2.867 625 1HE2 GLN 77 1HE2 GLN 77 12.775 13.836 -1.117 626 2HE2 GLN 77 2HE2 GLN 77 13.213 12.340 -0.321 Start of MODEL 5 1 1H ALA 0 1HN ALA -1 1.352 -0.828 0.478 2 2H ALA 0 2HN ALA -1 0.000 0.000 0.000 3 3H ALA 0 3HN ALA -1 1.352 0.000 -0.956 4 HA ALA 0 HA ALA -1 1.841 0.901 1.678 5 1HB ALA 0 1HB ALA -1 2.956 1.094 -0.895 6 2HB ALA 0 2HB ALA -1 2.369 2.733 -0.526 7 3HB ALA 0 3HB ALA -1 3.511 1.929 0.576 8 H SER 1 HN SER 1 0.389 2.006 2.846 9 HA SER 1 HA SER 1 -1.235 4.055 1.444 10 1HB SER 1 2HB SER 1 -2.211 1.779 3.177 11 2HB SER 1 3HB SER 1 -3.117 3.308 3.085 12 HG SER 1 HG SER 1 -3.226 3.042 0.845 13 H PHE 2 HN PHE 2 0.406 5.482 2.353 14 HA PHE 2 HA PHE 2 -0.340 6.306 5.066 15 1HB PHE 2 2HB PHE 2 1.707 4.550 4.902 16 2HB PHE 2 3HB PHE 2 2.593 6.057 4.612 17 HD1 PHE 2 HD1 PHE 2 1.852 3.823 7.086 18 HD2 PHE 2 HD2 PHE 2 1.581 8.040 6.313 19 HE1 PHE 2 HE1 PHE 2 1.881 4.271 9.525 20 HE2 PHE 2 HE2 PHE 2 1.610 8.488 8.752 21 HZ PHE 2 HZ PHE 2 1.761 6.604 10.358 22 H ILE 3 HN ILE 3 2.576 7.625 4.741 23 HA ILE 3 HA ILE 3 1.581 10.150 3.840 24 HB ILE 3 HB ILE 3 4.187 10.575 3.755 25 1HG1 ILE 3 2HG1 ILE 3 4.711 8.561 5.706 26 2HG1 ILE 3 3HG1 ILE 3 4.003 7.742 4.293 27 1HG2 ILE 3 1HG2 ILE 3 3.704 11.509 5.749 28 2HG2 ILE 3 2HG2 ILE 3 2.175 10.598 5.763 29 3HG2 ILE 3 3HG2 ILE 3 3.630 9.906 6.520 30 1HD1 ILE 3 1HD1 ILE 3 5.969 7.945 3.212 31 2HD1 ILE 3 2HD1 ILE 3 5.826 9.717 3.313 32 3HD1 ILE 3 3HD1 ILE 3 6.659 8.815 4.603 33 H ASP 4 HN ASP 4 4.548 9.939 2.378 34 HA ASP 4 HA ASP 4 5.273 9.653 0.209 35 1HB ASP 4 2HB ASP 4 2.613 8.585 -0.688 36 2HB ASP 4 3HB ASP 4 4.252 8.117 -1.190 37 H ASN 5 HN ASN 5 5.461 11.316 -1.183 38 HA ASN 5 HA ASN 5 4.984 13.352 -2.138 39 1HB ASN 5 2HB ASN 5 2.208 12.478 -2.780 40 2HB ASN 5 3HB ASN 5 3.471 13.142 -3.840 41 1HD2 ASN 5 1HD2 ASN 5 5.499 11.195 -2.762 42 2HD2 ASN 5 2HD2 ASN 5 5.129 9.672 -3.541 43 H THR 6 HN THR 6 4.200 12.895 0.750 44 HA THR 6 HA THR 6 1.879 14.710 0.991 45 HB THR 6 HB THR 6 1.752 12.800 2.416 46 HG1 THR 6 HG1 THR 6 2.022 13.814 4.496 47 1HG2 THR 6 1HG2 THR 6 3.940 11.906 2.416 48 2HG2 THR 6 2HG2 THR 6 4.664 13.439 2.959 49 3HG2 THR 6 3HG2 THR 6 3.715 12.451 4.095 50 H CYS 7 HN CYS 7 3.154 16.510 0.042 51 HA CYS 7 HA CYS 7 5.392 17.541 1.590 52 1HB CYS 7 2HB CYS 7 3.747 18.632 -0.712 53 2HB CYS 7 3HB CYS 7 5.123 19.485 0.007 54 H ARG 8 HN ARG 8 4.286 20.362 1.058 55 HA ARG 8 HA ARG 8 2.092 20.585 2.971 56 1HB ARG 8 2HB ARG 8 4.495 20.394 4.153 57 2HB ARG 8 3HB ARG 8 4.540 22.125 3.742 58 1HG ARG 8 2HG ARG 8 2.206 20.789 5.170 59 2HG ARG 8 3HG ARG 8 3.540 21.611 6.015 60 1HD ARG 8 2HD ARG 8 2.647 23.636 5.596 61 2HD ARG 8 3HD ARG 8 2.511 23.273 3.862 62 HE ARG 8 HE ARG 8 0.282 22.643 4.167 63 1HH1 ARG 8 2HH2 ARG 8 1.912 23.182 7.258 64 2HH1 ARG 8 1HH2 ARG 8 0.436 23.158 8.197 65 1HH2 ARG 8 2HH1 ARG 8 -1.668 22.611 5.407 66 2HH2 ARG 8 1HH1 ARG 8 -1.605 22.833 7.141 67 H GLY 9 HN GLY 9 4.820 22.452 1.507 68 1HA GLY 9 1HA GLY 9 2.919 24.634 0.895 69 2HA GLY 9 2HA GLY 9 4.693 24.704 0.792 70 H VAL 10 HN VAL 10 3.638 21.779 -0.500 71 HA VAL 10 HA VAL 10 4.540 22.223 -3.083 72 HB VAL 10 HB VAL 10 3.930 20.022 -1.992 73 1HG1 VAL 10 1HG1 VAL 10 1.284 19.754 -2.961 74 2HG1 VAL 10 2HG1 VAL 10 1.808 19.796 -1.260 75 3HG1 VAL 10 3HG1 VAL 10 1.318 21.299 -2.078 76 1HG2 VAL 10 1HG2 VAL 10 3.511 20.900 -4.764 77 2HG2 VAL 10 2HG2 VAL 10 4.331 19.447 -4.145 78 3HG2 VAL 10 3HG2 VAL 10 2.564 19.448 -4.361 79 H MET 11 HN MET 11 1.720 23.493 -1.572 80 HA MET 11 HA MET 11 0.201 23.828 -4.040 81 1HB MET 11 2HB MET 11 -1.357 25.063 -2.598 82 2HB MET 11 3HB MET 11 -0.897 23.521 -1.838 83 1HG MET 11 2HG MET 11 0.328 24.531 -0.190 84 2HG MET 11 3HG MET 11 0.825 25.875 -1.232 85 1HE MET 11 1HE MET 11 -0.801 27.995 -1.807 86 2HE MET 11 2HE MET 11 -1.234 28.725 -0.243 87 3HE MET 11 3HE MET 11 0.392 28.041 -0.486 88 H GLY 12 HN GLY 12 2.539 25.626 -2.101 89 1HA GLY 12 1HA GLY 12 2.018 28.123 -3.562 90 2HA GLY 12 2HA GLY 12 3.202 27.867 -2.260 91 H ASN 13 HN ASN 13 4.726 25.782 -3.112 92 HA ASN 13 HA ASN 13 6.630 26.867 -4.764 93 1HB ASN 13 2HB ASN 13 5.764 24.004 -4.305 94 2HB ASN 13 3HB ASN 13 7.151 24.402 -5.343 95 1HD2 ASN 13 1HD2 ASN 13 5.791 25.032 -2.066 96 2HD2 ASN 13 2HD2 ASN 13 7.339 25.124 -1.253 97 H ARG 14 HN ARG 14 4.313 24.360 -5.937 98 HA ARG 14 HA ARG 14 3.614 23.914 -8.085 99 1HB ARG 14 2HB ARG 14 3.177 26.891 -7.730 100 2HB ARG 14 3HB ARG 14 2.660 26.040 -9.206 101 1HG ARG 14 2HG ARG 14 1.243 24.547 -7.933 102 2HG ARG 14 3HG ARG 14 1.890 25.163 -6.393 103 1HD ARG 14 2HD ARG 14 -0.278 26.196 -6.812 104 2HD ARG 14 3HD ARG 14 0.994 27.426 -6.974 105 HE ARG 14 HE ARG 14 0.635 26.424 -9.540 106 1HH1 ARG 14 2HH2 ARG 14 -1.381 27.933 -7.058 107 2HH1 ARG 14 1HH2 ARG 14 -2.469 28.684 -8.205 108 1HH2 ARG 14 2HH1 ARG 14 -0.803 27.415 -11.054 109 2HH2 ARG 14 1HH1 ARG 14 -2.139 28.388 -10.483 110 H ASP 15 HN ASP 15 6.549 24.810 -7.603 111 HA ASP 15 HA ASP 15 7.142 25.195 -10.490 112 1HB ASP 15 2HB ASP 15 7.544 27.361 -9.720 113 2HB ASP 15 3HB ASP 15 8.091 26.803 -8.124 114 H ILE 16 HN ILE 16 8.447 24.393 -7.229 115 HA ILE 16 HA ILE 16 10.740 23.006 -8.206 116 HB ILE 16 HB ILE 16 9.256 22.553 -5.592 117 1HG1 ILE 16 2HG1 ILE 16 11.134 24.751 -6.511 118 2HG1 ILE 16 3HG1 ILE 16 9.561 24.907 -5.693 119 1HG2 ILE 16 1HG2 ILE 16 11.333 21.150 -6.563 120 2HG2 ILE 16 2HG2 ILE 16 12.237 22.540 -5.914 121 3HG2 ILE 16 3HG2 ILE 16 11.205 21.569 -4.837 122 1HD1 ILE 16 1HD1 ILE 16 10.979 23.373 -3.893 123 2HD1 ILE 16 2HD1 ILE 16 12.253 24.426 -4.554 124 3HD1 ILE 16 3HD1 ILE 16 10.807 25.142 -3.802 125 H TYR 17 HN TYR 17 7.358 22.109 -7.730 126 HA TYR 17 HA TYR 17 7.737 19.274 -7.762 127 1HB TYR 17 2HB TYR 17 5.697 20.542 -6.997 128 2HB TYR 17 3HB TYR 17 5.335 20.873 -8.699 129 HD1 TYR 17 HD1 TYR 17 4.593 18.764 -6.022 130 HD2 TYR 17 HD2 TYR 17 5.421 18.643 -10.235 131 HE1 TYR 17 HE1 TYR 17 3.408 16.592 -6.192 132 HE2 TYR 17 HE2 TYR 17 4.236 16.471 -10.406 133 HH TYR 17 HH TYR 17 3.508 14.590 -9.021 134 H LYS 18 HN LYS 18 6.448 21.449 -10.345 135 HA LYS 18 HA LYS 18 6.394 19.697 -12.447 136 1HB LYS 18 2HB LYS 18 7.600 22.429 -12.859 137 2HB LYS 18 3HB LYS 18 6.391 21.567 -13.841 138 1HG LYS 18 2HG LYS 18 5.795 22.401 -10.988 139 2HG LYS 18 3HG LYS 18 5.567 23.529 -12.346 140 1HD LYS 18 2HD LYS 18 4.381 20.730 -12.328 141 2HD LYS 18 3HD LYS 18 3.516 22.141 -11.672 142 1HE LYS 18 2HE LYS 18 4.675 22.689 -14.304 143 2HE LYS 18 3HE LYS 18 3.558 21.308 -14.347 144 1HZ LYS 18 1HZ LYS 18 1.836 22.602 -13.818 145 2HZ LYS 18 2HZ LYS 18 2.714 23.654 -12.899 146 3HZ LYS 18 3HZ LYS 18 2.753 23.765 -14.544 147 H LYS 19 HN LYS 19 9.263 21.277 -11.034 148 HA LYS 19 HA LYS 19 11.075 20.327 -13.066 149 1HB LYS 19 2HB LYS 19 11.283 21.636 -10.368 150 2HB LYS 19 3HB LYS 19 12.729 20.863 -11.061 151 1HG LYS 19 2HG LYS 19 12.784 22.313 -12.899 152 2HG LYS 19 3HG LYS 19 11.054 22.708 -12.767 153 1HD LYS 19 2HD LYS 19 12.474 24.600 -12.018 154 2HD LYS 19 3HD LYS 19 11.490 23.958 -10.682 155 1HE LYS 19 2HE LYS 19 13.313 23.284 -9.521 156 2HE LYS 19 3HE LYS 19 14.077 22.588 -10.967 157 1HZ LYS 19 1HZ LYS 19 15.454 24.279 -10.657 158 2HZ LYS 19 2HZ LYS 19 14.308 25.158 -11.453 159 3HZ LYS 19 3HZ LYS 19 14.377 25.193 -9.806 160 H VAL 20 HN VAL 20 10.795 19.449 -9.573 161 HA VAL 20 HA VAL 20 12.401 17.225 -9.538 162 HB VAL 20 HB VAL 20 9.694 17.500 -8.171 163 1HG1 VAL 20 1HG1 VAL 20 11.748 16.238 -6.602 164 2HG1 VAL 20 2HG1 VAL 20 10.211 15.547 -7.173 165 3HG1 VAL 20 3HG1 VAL 20 11.672 15.424 -8.183 166 1HG2 VAL 20 1HG2 VAL 20 12.193 18.139 -6.715 167 2HG2 VAL 20 2HG2 VAL 20 11.812 19.263 -8.042 168 3HG2 VAL 20 3HG2 VAL 20 10.633 18.997 -6.735 169 H VAL 21 HN VAL 21 8.824 17.039 -10.020 170 HA VAL 21 HA VAL 21 8.646 14.376 -10.731 171 HB VAL 21 HB VAL 21 6.803 16.152 -10.451 172 1HG1 VAL 21 1HG1 VAL 21 7.661 17.725 -12.150 173 2HG1 VAL 21 2HG1 VAL 21 7.445 16.490 -13.413 174 3HG1 VAL 21 3HG1 VAL 21 6.026 17.168 -12.580 175 1HG2 VAL 21 1HG2 VAL 21 6.806 14.046 -12.643 176 2HG2 VAL 21 2HG2 VAL 21 6.177 13.905 -10.984 177 3HG2 VAL 21 3HG2 VAL 21 5.336 14.931 -12.171 178 H ARG 22 HN ARG 22 9.576 17.157 -12.782 179 HA ARG 22 HA ARG 22 9.709 15.635 -15.215 180 1HB ARG 22 2HB ARG 22 9.455 18.093 -15.147 181 2HB ARG 22 3HB ARG 22 11.072 18.238 -14.417 182 1HG ARG 22 2HG ARG 22 10.733 16.714 -17.001 183 2HG ARG 22 3HG ARG 22 10.786 18.493 -17.030 184 1HD ARG 22 2HD ARG 22 12.862 17.493 -15.284 185 2HD ARG 22 3HD ARG 22 12.976 16.681 -16.860 186 HE ARG 22 HE ARG 22 12.747 19.643 -16.757 187 1HH1 ARG 22 2HH2 ARG 22 14.577 16.702 -17.466 188 2HH1 ARG 22 1HH2 ARG 22 15.818 17.531 -18.380 189 1HH2 ARG 22 2HH1 ARG 22 14.386 20.738 -17.964 190 2HH2 ARG 22 1HH1 ARG 22 15.709 19.832 -18.663 191 H VAL 23 HN VAL 23 11.934 16.302 -12.540 192 HA VAL 23 HA VAL 23 14.304 15.408 -13.904 193 HB VAL 23 HB VAL 23 13.572 15.745 -10.974 194 1HG1 VAL 23 1HG1 VAL 23 15.834 14.390 -12.244 195 2HG1 VAL 23 2HG1 VAL 23 16.364 15.778 -11.264 196 3HG1 VAL 23 3HG1 VAL 23 15.394 14.484 -10.522 197 1HG2 VAL 23 1HG2 VAL 23 13.695 17.867 -12.030 198 2HG2 VAL 23 2HG2 VAL 23 15.311 17.637 -11.320 199 3HG2 VAL 23 3HG2 VAL 23 15.058 17.369 -13.061 200 H CYS 24 HN CYS 24 11.711 13.858 -12.054 201 HA CYS 24 HA CYS 24 13.095 11.351 -11.704 202 1HB CYS 24 2HB CYS 24 10.101 11.715 -11.760 203 2HB CYS 24 3HB CYS 24 11.066 10.581 -10.802 204 H GLU 25 HN GLU 25 11.033 12.808 -14.193 205 HA GLU 25 HA GLU 25 10.387 10.431 -15.605 206 1HB GLU 25 2HB GLU 25 10.732 13.311 -16.519 207 2HB GLU 25 3HB GLU 25 10.046 12.015 -17.527 208 1HG GLU 25 2HG GLU 25 8.898 12.277 -14.793 209 2HG GLU 25 3HG GLU 25 8.555 13.621 -15.904 210 H ASP 26 HN ASP 26 12.861 12.922 -16.457 211 HA ASP 26 HA ASP 26 14.148 11.506 -18.465 212 1HB ASP 26 2HB ASP 26 14.576 13.873 -17.803 213 2HB ASP 26 3HB ASP 26 15.450 13.286 -16.371 214 H CYS 27 HN CYS 27 14.638 11.312 -14.920 215 HA CYS 27 HA CYS 27 16.865 9.542 -15.014 216 1HB CYS 27 2HB CYS 27 16.591 10.538 -12.958 217 2HB CYS 27 3HB CYS 27 14.826 10.399 -13.001 218 H THR 28 HN THR 28 13.358 8.897 -14.428 219 HA THR 28 HA THR 28 13.395 6.161 -14.214 220 HB THR 28 HB THR 28 11.459 8.055 -14.466 221 HG1 THR 28 HG1 THR 28 11.497 5.259 -14.548 222 1HG2 THR 28 1HG2 THR 28 10.899 6.305 -16.847 223 2HG2 THR 28 2HG2 THR 28 10.304 7.941 -16.476 224 3HG2 THR 28 3HG2 THR 28 11.968 7.712 -17.065 225 H ASN 29 HN ASN 29 14.089 8.106 -17.057 226 HA ASN 29 HA ASN 29 13.806 5.922 -18.942 227 1HB ASN 29 2HB ASN 29 15.331 8.533 -19.235 228 2HB ASN 29 3HB ASN 29 14.722 7.488 -20.537 229 1HD2 ASN 29 1HD2 ASN 29 14.161 10.388 -19.698 230 2HD2 ASN 29 2HD2 ASN 29 12.415 10.473 -19.604 231 H ILE 30 HN ILE 30 16.538 7.590 -17.307 232 HA ILE 30 HA ILE 30 18.690 6.323 -18.480 233 HB ILE 30 HB ILE 30 18.091 7.423 -15.767 234 1HG1 ILE 30 2HG1 ILE 30 20.141 8.740 -16.344 235 2HG1 ILE 30 3HG1 ILE 30 20.274 7.814 -17.859 236 1HG2 ILE 30 1HG2 ILE 30 20.169 5.351 -16.367 237 2HG2 ILE 30 2HG2 ILE 30 20.674 6.748 -15.386 238 3HG2 ILE 30 3HG2 ILE 30 19.331 5.716 -14.839 239 1HD1 ILE 30 1HD1 ILE 30 17.603 8.666 -17.807 240 2HD1 ILE 30 2HD1 ILE 30 18.519 10.065 -17.198 241 3HD1 ILE 30 3HD1 ILE 30 18.914 9.365 -18.786 242 H PHE 31 HN PHE 31 16.711 5.110 -15.721 243 HA PHE 31 HA PHE 31 18.083 2.509 -15.907 244 1HB PHE 31 2HB PHE 31 15.823 3.329 -14.065 245 2HB PHE 31 3HB PHE 31 16.971 1.995 -13.857 246 HD1 PHE 31 HD1 PHE 31 19.173 2.362 -12.959 247 HD2 PHE 31 HD2 PHE 31 16.542 5.671 -13.722 248 HE1 PHE 31 HE1 PHE 31 20.661 3.848 -11.645 249 HE2 PHE 31 HE2 PHE 31 18.030 7.157 -12.408 250 HZ PHE 31 HZ PHE 31 20.090 6.246 -11.369 251 H ARG 32 HN ARG 32 15.130 4.115 -16.883 252 HA ARG 32 HA ARG 32 13.376 3.392 -18.165 253 1HB ARG 32 2HB ARG 32 15.528 1.427 -18.715 254 2HB ARG 32 3HB ARG 32 13.878 0.860 -19.069 255 1HG ARG 32 2HG ARG 32 13.987 3.527 -20.010 256 2HG ARG 32 3HG ARG 32 15.515 2.774 -20.526 257 1HD ARG 32 2HD ARG 32 12.757 1.554 -20.944 258 2HD ARG 32 3HD ARG 32 13.649 2.471 -22.177 259 HE ARG 32 HE ARG 32 15.365 0.438 -21.252 260 1HH1 ARG 32 2HH2 ARG 32 12.271 0.776 -22.929 261 2HH1 ARG 32 1HH2 ARG 32 12.442 -0.713 -23.832 262 1HH2 ARG 32 2HH1 ARG 32 15.591 -1.528 -22.445 263 2HH2 ARG 32 1HH1 ARG 32 14.335 -2.026 -23.556 264 H LEU 33 HN LEU 33 13.660 2.811 -15.234 265 HA LEU 33 HA LEU 33 11.976 0.369 -15.042 266 1HB LEU 33 2HB LEU 33 13.787 1.855 -13.135 267 2HB LEU 33 3HB LEU 33 12.513 0.776 -12.520 268 HG LEU 33 HG LEU 33 13.567 -0.839 -14.416 269 1HD1 LEU 33 1HD1 LEU 33 15.725 -0.385 -14.991 270 2HD1 LEU 33 2HD1 LEU 33 15.318 1.285 -14.529 271 3HD1 LEU 33 3HD1 LEU 33 16.131 0.212 -13.365 272 1HD2 LEU 33 1HD2 LEU 33 15.298 -1.070 -12.136 273 2HD2 LEU 33 2HD2 LEU 33 13.696 -0.546 -11.563 274 3HD2 LEU 33 3HD2 LEU 33 13.854 -2.034 -12.528 275 HA PRO 34 HA PRO 34 8.492 2.999 -14.364 276 1HB PRO 34 2HB PRO 34 6.712 1.109 -13.539 277 2HB PRO 34 3HB PRO 34 7.338 1.148 -15.220 278 1HG PRO 34 2HG PRO 34 8.372 -0.525 -12.912 279 2HG PRO 34 3HG PRO 34 7.906 -1.096 -14.548 280 1HD PRO 34 2HD PRO 34 10.500 -0.542 -13.922 281 2HD PRO 34 3HD PRO 34 9.837 -0.091 -15.521 282 H GLY 35 HN GLY 35 9.796 0.754 -11.923 283 1HA GLY 35 1HA GLY 35 8.431 2.192 -9.747 284 2HA GLY 35 2HA GLY 35 9.454 0.745 -9.600 285 H LEU 36 HN LEU 36 9.650 4.222 -10.538 286 HA LEU 36 HA LEU 36 11.925 4.591 -8.753 287 1HB LEU 36 2HB LEU 36 12.845 3.616 -10.942 288 2HB LEU 36 3HB LEU 36 12.339 5.142 -11.707 289 HG LEU 36 HG LEU 36 13.656 6.345 -9.873 290 1HD1 LEU 36 1HD1 LEU 36 13.704 4.109 -8.507 291 2HD1 LEU 36 2HD1 LEU 36 15.091 3.702 -9.545 292 3HD1 LEU 36 3HD1 LEU 36 15.150 5.147 -8.507 293 1HD2 LEU 36 1HD2 LEU 36 15.338 4.500 -11.608 294 2HD2 LEU 36 2HD2 LEU 36 14.426 5.878 -12.270 295 3HD2 LEU 36 3HD2 LEU 36 15.721 6.156 -11.080 296 H ASP 37 HN ASP 37 10.006 5.908 -11.496 297 HA ASP 37 HA ASP 37 10.389 8.604 -11.202 298 1HB ASP 37 2HB ASP 37 7.817 8.708 -11.727 299 2HB ASP 37 3HB ASP 37 8.935 7.996 -12.912 300 H GLY 38 HN GLY 38 7.654 6.900 -9.566 301 1HA GLY 38 1HA GLY 38 6.811 8.871 -7.872 302 2HA GLY 38 2HA GLY 38 6.852 7.154 -7.410 303 H MET 39 HN MET 39 9.238 6.391 -6.861 304 HA MET 39 HA MET 39 10.016 7.387 -4.455 305 1HB MET 39 2HB MET 39 11.638 6.190 -6.714 306 2HB MET 39 3HB MET 39 12.386 6.613 -5.155 307 1HG MET 39 2HG MET 39 11.306 4.954 -4.027 308 2HG MET 39 3HG MET 39 9.830 5.112 -4.993 309 1HE MET 39 1HE MET 39 13.623 3.390 -6.771 310 2HE MET 39 2HE MET 39 13.453 4.666 -5.542 311 3HE MET 39 3HE MET 39 13.503 2.957 -5.049 312 H CYS 40 HN CYS 40 11.586 8.372 -7.556 313 HA CYS 40 HA CYS 40 13.263 10.337 -6.663 314 1HB CYS 40 2HB CYS 40 13.106 9.713 -8.992 315 2HB CYS 40 3HB CYS 40 11.452 10.340 -9.096 316 H ARG 41 HN ARG 41 9.736 10.674 -7.271 317 HA ARG 41 HA ARG 41 9.848 13.230 -5.737 318 1HB ARG 41 2HB ARG 41 7.643 13.650 -7.054 319 2HB ARG 41 3HB ARG 41 9.191 13.839 -7.911 320 1HG ARG 41 2HG ARG 41 8.339 12.389 -9.433 321 2HG ARG 41 3HG ARG 41 8.641 11.130 -8.211 322 1HD ARG 41 2HD ARG 41 6.430 10.765 -8.046 323 2HD ARG 41 3HD ARG 41 6.199 12.445 -7.513 324 HE ARG 41 HE ARG 41 5.847 13.085 -9.833 325 1HH1 ARG 41 2HH2 ARG 41 5.947 9.620 -9.138 326 2HH1 ARG 41 1HH2 ARG 41 5.091 9.164 -10.594 327 1HH2 ARG 41 2HH1 ARG 41 4.716 12.483 -11.756 328 2HH2 ARG 41 1HH1 ARG 41 4.389 10.796 -12.086 329 H ASN 42 HN ASN 42 9.739 10.791 -4.377 330 HA ASN 42 HA ASN 42 6.871 10.433 -3.713 331 1HB ASN 42 2HB ASN 42 8.494 8.495 -4.246 332 2HB ASN 42 3HB ASN 42 9.207 8.826 -2.653 333 1HD2 ASN 42 1HD2 ASN 42 8.536 6.744 -1.883 334 2HD2 ASN 42 2HD2 ASN 42 6.865 6.435 -1.466 335 H ARG 43 HN ARG 43 6.727 9.797 -1.184 336 HA ARG 43 HA ARG 43 6.364 11.152 0.724 337 1HB ARG 43 2HB ARG 43 8.674 11.029 1.983 338 2HB ARG 43 3HB ARG 43 7.802 9.531 1.581 339 1HG ARG 43 2HG ARG 43 9.581 10.533 -0.568 340 2HG ARG 43 3HG ARG 43 10.425 10.032 0.917 341 1HD ARG 43 2HD ARG 43 8.800 7.946 0.761 342 2HD ARG 43 3HD ARG 43 8.708 8.407 -0.952 343 HE ARG 43 HE ARG 43 11.368 8.383 -0.613 344 1HH1 ARG 43 2HH2 ARG 43 8.879 6.130 0.496 345 2HH1 ARG 43 1HH2 ARG 43 9.931 4.733 0.454 346 1HH2 ARG 43 2HH1 ARG 43 12.758 6.537 -0.668 347 2HH2 ARG 43 1HH1 ARG 43 12.142 4.965 -0.210 348 H CYS 44 HN CYS 44 6.401 13.011 -1.243 349 HA CYS 44 HA CYS 44 6.850 15.213 -1.676 350 1HB CYS 44 2HB CYS 44 6.144 15.379 0.704 351 2HB CYS 44 3HB CYS 44 7.837 15.202 1.195 352 H PHE 45 HN PHE 45 8.653 13.779 -2.905 353 HA PHE 45 HA PHE 45 10.891 13.498 -3.460 354 1HB PHE 45 2HB PHE 45 11.116 16.465 -3.044 355 2HB PHE 45 3HB PHE 45 11.716 15.466 -4.378 356 HD1 PHE 45 HD1 PHE 45 10.277 18.029 -4.831 357 HD2 PHE 45 HD2 PHE 45 8.784 14.027 -4.374 358 HE1 PHE 45 HE1 PHE 45 8.276 18.623 -6.170 359 HE2 PHE 45 HE2 PHE 45 6.782 14.621 -5.713 360 HZ PHE 45 HZ PHE 45 6.528 16.919 -6.611 361 H TYR 46 HN TYR 46 10.352 13.264 -0.562 362 HA TYR 46 HA TYR 46 12.966 14.265 0.468 363 1HB TYR 46 2HB TYR 46 10.812 15.156 1.498 364 2HB TYR 46 3HB TYR 46 10.518 13.511 2.088 365 HD1 TYR 46 HD1 TYR 46 13.368 15.972 2.010 366 HD2 TYR 46 HD2 TYR 46 11.118 13.100 4.277 367 HE1 TYR 46 HE1 TYR 46 14.781 16.432 3.996 368 HE2 TYR 46 HE2 TYR 46 12.530 13.561 6.263 369 HH TYR 46 HH TYR 46 15.059 14.528 6.612 370 H ASN 47 HN ASN 47 14.068 12.405 -0.381 371 HA ASN 47 HA ASN 47 14.325 10.279 1.457 372 1HB ASN 47 2HB ASN 47 12.013 9.962 -0.014 373 2HB ASN 47 3HB ASN 47 13.193 9.029 -0.961 374 1HD2 ASN 47 1HD2 ASN 47 14.617 7.495 0.333 375 2HD2 ASN 47 2HD2 ASN 47 13.858 6.628 1.651 376 H GLU 48 HN GLU 48 15.844 12.173 -0.202 377 HA GLU 48 HA GLU 48 17.753 12.209 -1.464 378 1HB GLU 48 2HB GLU 48 19.307 10.550 -1.006 379 2HB GLU 48 3HB GLU 48 18.163 10.307 0.335 380 1HG GLU 48 2HG GLU 48 17.520 8.280 -0.442 381 2HG GLU 48 3HG GLU 48 17.382 8.873 -2.111 382 H TRP 49 HN TRP 49 15.149 10.087 -2.224 383 HA TRP 49 HA TRP 49 15.950 8.839 -4.575 384 1HB TRP 49 2HB TRP 50 13.362 10.001 -3.585 385 2HB TRP 49 3HB TRP 50 13.459 9.377 -5.238 386 HD1 TRP 49 HD1 TRP 49 11.881 8.221 -2.508 387 HE1 TRP 49 HE1 TRP 49 12.057 5.723 -2.041 388 HE3 TRP 49 HE3 TRP 49 16.033 7.167 -5.309 389 HZ2 TRP 49 HZ2 TRP 49 13.786 3.525 -2.787 390 HZ3 TRP 49 HZ3 TRP 49 16.914 4.864 -5.406 391 HH2 TRP 49 HH2 TRP 49 15.805 3.036 -4.154 392 H PHE 50 HN PHE 50 15.759 12.208 -3.901 393 HA PHE 50 HA PHE 50 15.296 13.053 -6.646 394 1HB PHE 50 2HB PHE 50 14.887 14.254 -4.311 395 2HB PHE 50 3HB PHE 50 16.553 14.802 -4.562 396 HD1 PHE 50 HD1 PHE 50 14.360 14.189 -7.443 397 HD2 PHE 50 HD2 PHE 50 15.840 17.144 -4.700 398 HE1 PHE 50 HE1 PHE 50 13.545 15.988 -8.943 399 HE2 PHE 50 HE2 PHE 50 15.025 18.944 -6.199 400 HZ PHE 50 HZ PHE 50 13.878 18.366 -8.321 401 H LEU 51 HN LEU 51 17.998 12.034 -4.698 402 HA LEU 51 HA LEU 51 19.979 13.342 -6.420 403 1HB LEU 51 2HB LEU 51 20.330 13.081 -3.969 404 2HB LEU 51 3HB LEU 51 20.312 11.313 -4.175 405 HG LEU 51 HG LEU 51 22.121 12.424 -6.112 406 1HD1 LEU 51 1HD1 LEU 51 22.004 13.926 -3.636 407 2HD1 LEU 51 2HD1 LEU 51 23.561 13.072 -3.749 408 3HD1 LEU 51 3HD1 LEU 51 23.057 14.178 -5.048 409 1HD2 LEU 51 1HD2 LEU 51 22.408 10.741 -3.594 410 2HD2 LEU 51 2HD2 LEU 51 22.336 10.178 -5.281 411 3HD2 LEU 51 3HD2 LEU 51 23.762 11.071 -4.700 412 H ILE 52 HN ILE 52 18.655 10.079 -5.777 413 HA ILE 52 HA ILE 52 20.400 8.548 -7.322 414 HB ILE 52 HB ILE 52 17.391 8.275 -6.954 415 1HG1 ILE 52 2HG1 ILE 52 18.361 6.474 -5.294 416 2HG1 ILE 52 3HG1 ILE 52 19.837 7.465 -5.376 417 1HG2 ILE 52 1HG2 ILE 52 18.637 5.757 -7.230 418 2HG2 ILE 52 2HG2 ILE 52 17.566 6.555 -8.406 419 3HG2 ILE 52 3HG2 ILE 52 19.329 6.766 -8.522 420 1HD1 ILE 52 1HD1 ILE 52 18.923 8.911 -3.910 421 2HD1 ILE 52 2HD1 ILE 52 17.626 9.253 -5.080 422 3HD1 ILE 52 3HD1 ILE 52 17.422 7.954 -3.880 423 H CYS 53 HN CYS 53 17.397 10.250 -8.360 424 HA CYS 53 HA CYS 53 17.751 9.534 -11.129 425 1HB CYS 53 2HB CYS 53 16.028 11.500 -9.616 426 2HB CYS 53 3HB CYS 53 16.030 11.443 -11.386 427 H LEU 54 HN LEU 54 18.421 12.452 -9.148 428 HA LEU 54 HA LEU 54 19.238 14.179 -11.187 429 1HB LEU 54 2HB LEU 54 19.717 13.879 -8.270 430 2HB LEU 54 3HB LEU 54 20.923 14.846 -9.152 431 HG LEU 54 HG LEU 54 17.985 15.308 -9.664 432 1HD1 LEU 54 1HD1 LEU 54 18.845 17.225 -7.771 433 2HD1 LEU 54 2HD1 LEU 54 17.635 15.943 -7.527 434 3HD1 LEU 54 3HD1 LEU 54 19.340 15.647 -7.110 435 1HD2 LEU 54 1HD2 LEU 54 20.117 16.330 -10.872 436 2HD2 LEU 54 2HD2 LEU 54 18.715 17.360 -10.493 437 3HD2 LEU 54 3HD2 LEU 54 20.152 17.390 -9.443 438 H LYS 55 HN LYS 55 20.948 11.479 -9.632 439 HA LYS 55 HA LYS 55 23.531 12.097 -10.706 440 1HB LYS 55 2HB LYS 55 22.201 9.863 -9.281 441 2HB LYS 55 3HB LYS 55 23.556 9.387 -10.333 442 1HG LYS 55 2HG LYS 55 25.073 10.281 -8.915 443 2HG LYS 55 3HG LYS 55 24.170 11.812 -8.817 444 1HD LYS 55 2HD LYS 55 23.781 11.183 -6.661 445 2HD LYS 55 3HD LYS 55 22.541 10.127 -7.378 446 1HE LYS 55 2HE LYS 55 23.668 8.301 -6.709 447 2HE LYS 55 3HE LYS 55 25.107 8.838 -7.601 448 1HZ LYS 55 1HZ LYS 55 24.855 8.661 -4.922 449 2HZ LYS 55 2HZ LYS 55 26.050 9.451 -5.739 450 3HZ LYS 55 3HZ LYS 55 24.728 10.281 -5.207 451 H ALA 56 HN ALA 56 20.816 10.015 -11.786 452 HA ALA 56 HA ALA 56 22.061 8.820 -13.993 453 1HB ALA 56 1HB ALA 56 19.368 9.425 -14.698 454 2HB ALA 56 2HB ALA 56 20.014 7.901 -14.043 455 3HB ALA 56 3HB ALA 56 19.400 9.155 -12.939 456 H ALA 57 HN ALA 57 21.452 12.126 -13.410 457 HA ALA 57 HA ALA 57 21.508 12.737 -16.322 458 1HB ALA 57 1HB ALA 57 19.853 13.691 -14.315 459 2HB ALA 57 2HB ALA 57 21.092 14.963 -14.440 460 3HB ALA 57 3HB ALA 57 20.153 14.491 -15.877 461 H ASN 58 HN ASN 58 23.649 12.099 -13.997 462 HA ASN 58 HA ASN 58 25.847 12.652 -13.679 463 1HB ASN 58 2HB ASN 58 26.471 12.640 -15.883 464 2HB ASN 58 3HB ASN 58 25.218 13.806 -16.359 465 1HD2 ASN 58 1HD2 ASN 58 25.541 16.086 -15.315 466 2HD2 ASN 58 2HD2 ASN 58 27.173 16.713 -15.379 467 H ARG 59 HN ARG 59 23.362 15.045 -13.926 468 HA ARG 59 HA ARG 59 24.661 17.416 -13.265 469 1HB ARG 59 2HB ARG 59 21.977 16.313 -12.352 470 2HB ARG 59 3HB ARG 59 22.496 18.000 -12.115 471 1HG ARG 59 2HG ARG 59 22.716 18.325 -14.518 472 2HG ARG 59 3HG ARG 59 22.385 16.602 -14.821 473 1HD ARG 59 2HD ARG 59 20.139 16.849 -14.523 474 2HD ARG 59 3HD ARG 59 20.343 17.999 -13.184 475 HE ARG 59 HE ARG 59 20.106 19.733 -14.685 476 1HH1 ARG 59 2HH2 ARG 59 20.979 16.768 -16.401 477 2HH1 ARG 59 1HH2 ARG 59 20.800 17.473 -17.992 478 1HH2 ARG 59 2HH1 ARG 59 19.868 20.664 -16.787 479 2HH2 ARG 59 1HH1 ARG 59 20.166 19.695 -18.212 480 H GLU 60 HN GLU 60 22.971 15.380 -10.813 481 HA GLU 60 HA GLU 60 23.334 15.369 -8.517 482 1HB GLU 60 2HB GLU 60 24.717 13.532 -9.563 483 2HB GLU 60 3HB GLU 60 26.118 14.627 -9.486 484 1HG GLU 60 2HG GLU 60 26.102 14.674 -7.125 485 2HG GLU 60 3HG GLU 60 24.432 14.075 -7.033 486 H ASP 61 HN ASP 61 23.745 18.015 -9.735 487 HA ASP 61 HA ASP 61 25.746 19.060 -7.786 488 1HB ASP 61 2HB ASP 61 26.277 19.132 -10.353 489 2HB ASP 61 3HB ASP 61 25.088 20.453 -10.378 490 H GLU 62 HN GLU 62 22.665 19.489 -9.529 491 HA GLU 62 HA GLU 62 22.007 21.920 -8.063 492 1HB GLU 62 2HB GLU 62 20.344 20.098 -9.846 493 2HB GLU 62 3HB GLU 62 19.838 21.692 -9.237 494 1HG GLU 62 2HG GLU 62 21.663 22.782 -10.414 495 2HG GLU 62 3HG GLU 62 22.342 21.214 -10.899 496 H ILE 63 HN ILE 63 22.449 18.970 -6.914 497 HA ILE 63 HA ILE 63 19.975 18.274 -5.672 498 HB ILE 63 HB ILE 63 22.538 17.630 -4.295 499 1HG1 ILE 63 2HG1 ILE 63 23.236 17.744 -6.672 500 2HG1 ILE 63 3HG1 ILE 63 23.212 16.064 -6.084 501 1HG2 ILE 63 1HG2 ILE 63 21.378 15.749 -3.755 502 2HG2 ILE 63 2HG2 ILE 63 19.954 16.651 -4.328 503 3HG2 ILE 63 3HG2 ILE 63 20.793 15.523 -5.421 504 1HD1 ILE 63 1HD1 ILE 63 22.073 16.717 -8.403 505 2HD1 ILE 63 2HD1 ILE 63 21.327 15.512 -7.326 506 3HD1 ILE 63 3HD1 ILE 63 20.720 17.185 -7.345 507 H GLU 64 HN GLU 64 22.712 20.370 -4.734 508 HA GLU 64 HA GLU 64 22.058 20.800 -2.047 509 1HB GLU 64 2HB GLU 64 23.619 22.130 -4.152 510 2HB GLU 64 3HB GLU 64 22.953 23.267 -2.955 511 1HG GLU 64 2HG GLU 64 23.887 21.891 -1.127 512 2HG GLU 64 3HG GLU 64 24.547 20.750 -2.318 513 H LYS 65 HN LYS 65 21.033 22.743 -4.913 514 HA LYS 65 HA LYS 65 19.181 24.311 -3.355 515 1HB LYS 65 2HB LYS 65 18.368 24.885 -5.766 516 2HB LYS 65 3HB LYS 65 20.004 25.384 -5.273 517 1HG LYS 65 2HG LYS 65 20.759 24.267 -7.090 518 2HG LYS 65 3HG LYS 65 20.344 22.769 -6.222 519 1HD LYS 65 2HD LYS 65 18.794 22.330 -7.798 520 2HD LYS 65 3HD LYS 65 17.913 23.793 -7.295 521 1HE LYS 65 2HE LYS 65 20.308 24.210 -9.026 522 2HE LYS 65 3HE LYS 65 18.904 23.441 -9.796 523 1HZ LYS 65 1HZ LYS 65 18.346 25.739 -8.174 524 2HZ LYS 65 2HZ LYS 65 19.200 26.037 -9.553 525 3HZ LYS 65 3HZ LYS 65 17.728 25.297 -9.638 526 H PHE 66 HN PHE 66 19.019 21.338 -5.285 527 HA PHE 66 HA PHE 66 16.173 21.210 -5.475 528 1HB PHE 66 2HB PHE 66 18.481 19.325 -5.769 529 2HB PHE 66 3HB PHE 66 16.857 18.636 -5.601 530 HD1 PHE 66 HD1 PHE 66 19.100 19.056 -7.996 531 HD2 PHE 66 HD2 PHE 66 15.172 20.525 -7.069 532 HE1 PHE 66 HE1 PHE 66 18.683 19.462 -10.407 533 HE2 PHE 66 HE2 PHE 66 14.755 20.931 -9.480 534 HZ PHE 66 HZ PHE 66 16.510 20.399 -11.149 535 H ARG 67 HN ARG 67 18.527 20.249 -2.994 536 HA ARG 67 HA ARG 67 16.715 18.664 -1.442 537 1HB ARG 67 2HB ARG 67 19.448 19.407 -1.387 538 2HB ARG 67 3HB ARG 67 18.751 19.970 0.151 539 1HG ARG 67 2HG ARG 67 19.333 17.747 0.643 540 2HG ARG 67 3HG ARG 67 17.614 17.604 0.204 541 1HD ARG 67 2HD ARG 67 18.340 17.094 -2.159 542 2HD ARG 67 3HD ARG 67 20.019 17.056 -1.579 543 HE ARG 67 HE ARG 67 17.972 15.262 -0.368 544 1HH1 ARG 67 2HH2 ARG 67 20.969 15.793 -2.168 545 2HH1 ARG 67 1HH2 ARG 67 21.478 14.121 -2.081 546 1HH2 ARG 67 2HH1 ARG 67 18.645 13.054 -0.253 547 2HH2 ARG 67 1HH1 ARG 67 20.153 12.560 -0.989 548 H VAL 68 HN VAL 68 18.076 21.934 -0.730 549 HA VAL 68 HA VAL 68 16.426 22.624 1.367 550 HB VAL 68 HB VAL 68 18.367 23.909 0.185 551 1HG1 VAL 68 1HG1 VAL 68 17.899 25.154 -1.659 552 2HG1 VAL 68 2HG1 VAL 68 16.488 24.084 -1.837 553 3HG1 VAL 68 3HG1 VAL 68 16.315 25.658 -1.025 554 1HG2 VAL 68 1HG2 VAL 68 17.420 26.092 1.079 555 2HG2 VAL 68 2HG2 VAL 68 15.889 25.229 1.361 556 3HG2 VAL 68 3HG2 VAL 68 17.363 24.729 2.223 557 H TRP 69 HN TRP 69 15.626 22.378 -2.058 558 HA TRP 69 HA TRP 69 13.194 23.893 -1.945 559 1HB TRP 69 2HB TRP 69 14.212 21.721 -3.796 560 2HB TRP 69 3HB TRP 69 12.692 22.590 -4.054 561 HD1 TRP 69 HD1 TRP 69 14.816 25.147 -2.763 562 HE1 TRP 69 HE1 TRP 69 15.963 26.528 -4.570 563 HE3 TRP 69 HE3 TRP 69 14.072 22.032 -6.756 564 HZ2 TRP 69 HZ2 TRP 69 16.498 26.317 -7.406 565 HZ3 TRP 69 HZ3 TRP 69 14.913 22.655 -8.990 566 HH2 TRP 69 HH2 TRP 69 16.125 24.789 -9.332 567 H ILE 70 HN ILE 70 13.969 20.399 -1.650 568 HA ILE 70 HA ILE 70 11.309 19.474 -1.416 569 HB ILE 70 HB ILE 70 13.803 18.352 -0.085 570 1HG1 ILE 70 2HG1 ILE 70 14.505 18.426 -2.287 571 2HG1 ILE 70 3HG1 ILE 70 13.569 16.913 -2.338 572 1HG2 ILE 70 1HG2 ILE 70 11.453 16.816 -1.212 573 2HG2 ILE 70 2HG2 ILE 70 12.636 16.312 0.018 574 3HG2 ILE 70 3HG2 ILE 70 11.377 17.500 0.430 575 1HD1 ILE 70 1HD1 ILE 70 12.740 19.680 -3.270 576 2HD1 ILE 70 2HD1 ILE 70 12.784 18.163 -4.201 577 3HD1 ILE 70 3HD1 ILE 70 11.543 18.403 -2.947 578 H SER 71 HN SER 71 13.395 21.196 0.809 579 HA SER 71 HA SER 71 11.879 20.446 3.180 580 1HB SER 71 2HB SER 71 14.375 21.692 2.575 581 2HB SER 71 3HB SER 71 13.417 22.850 3.529 582 HG SER 71 HG SER 71 13.833 21.652 5.180 583 H ILE 72 HN ILE 72 12.031 23.169 0.878 584 HA ILE 72 HA ILE 72 10.400 24.991 2.275 585 HB ILE 72 HB ILE 72 10.670 24.495 -0.716 586 1HG1 ILE 72 2HG1 ILE 72 12.006 26.719 0.807 587 2HG1 ILE 72 3HG1 ILE 72 12.700 25.083 0.916 588 1HG2 ILE 72 1HG2 ILE 72 10.162 27.146 -0.443 589 2HG2 ILE 72 2HG2 ILE 72 8.882 25.937 -0.703 590 3HG2 ILE 72 3HG2 ILE 72 9.232 26.523 0.941 591 1HD1 ILE 72 1HD1 ILE 72 12.773 26.989 -1.302 592 2HD1 ILE 72 2HD1 ILE 72 13.721 25.502 -1.057 593 3HD1 ILE 72 3HD1 ILE 72 12.111 25.417 -1.811 594 H LEU 73 HN LEU 73 9.593 22.182 0.232 595 HA LEU 73 HA LEU 73 6.785 22.727 0.086 596 1HB LEU 73 2HB LEU 73 8.088 19.992 -0.031 597 2HB LEU 73 3HB LEU 73 6.619 20.557 -0.862 598 HG LEU 73 HG LEU 73 9.293 21.890 -1.357 599 1HD1 LEU 73 1HD1 LEU 73 8.262 19.739 -3.189 600 2HD1 LEU 73 2HD1 LEU 73 9.929 20.306 -2.931 601 3HD1 LEU 73 3HD1 LEU 73 9.151 19.251 -1.726 602 1HD2 LEU 73 1HD2 LEU 73 6.991 22.816 -2.086 603 2HD2 LEU 73 2HD2 LEU 73 8.243 22.668 -3.343 604 3HD2 LEU 73 3HD2 LEU 73 6.946 21.454 -3.231 605 H ASN 74 HN ASN 74 8.898 21.243 2.485 606 HA ASN 74 HA ASN 74 6.770 19.931 3.940 607 1HB ASN 74 2HB ASN 74 9.662 20.624 4.507 608 2HB ASN 74 3HB ASN 74 8.616 19.895 5.745 609 1HD2 ASN 74 1HD2 ASN 74 10.998 18.704 4.566 610 2HD2 ASN 74 2HD2 ASN 74 10.487 17.245 3.745 611 H ALA 75 HN ALA 75 8.529 23.040 4.179 612 HA ALA 75 HA ALA 75 8.203 24.837 5.588 613 1HB ALA 75 1HB ALA 75 5.963 24.347 3.960 614 2HB ALA 75 2HB ALA 75 5.293 24.712 5.568 615 3HB ALA 75 3HB ALA 75 6.382 25.874 4.773 616 H GLY 76 HN GLY 76 8.162 22.039 6.820 617 1HA GLY 76 1HA GLY 76 8.256 21.642 9.164 618 2HA GLY 76 2HA GLY 76 7.049 22.923 9.422 619 H GLN 77 HN GLN 77 5.063 22.248 7.614 620 HA GLN 77 HA GLN 77 3.099 21.024 7.789 621 1HB GLN 77 2HB GLN 77 3.340 18.851 6.730 622 2HB GLN 77 3HB GLN 77 4.467 19.991 5.957 623 1HG GLN 77 2HG GLN 77 6.307 19.144 7.355 624 2HG GLN 77 3HG GLN 77 5.188 18.035 8.178 625 1HE2 GLN 77 1HE2 GLN 77 6.261 18.937 4.850 626 2HE2 GLN 77 2HE2 GLN 77 6.264 17.302 4.224 Start of MODEL 6 1 1H ALA 0 1HN ALA -1 1.352 -0.828 0.478 2 2H ALA 0 2HN ALA -1 0.000 0.000 0.000 3 3H ALA 0 3HN ALA -1 1.352 0.000 -0.956 4 HA ALA 0 HA ALA -1 1.198 2.065 0.117 5 1HB ALA 0 1HB ALA -1 0.753 2.297 2.365 6 2HB ALA 0 2HB ALA -1 -0.095 0.761 2.066 7 3HB ALA 0 3HB ALA -1 1.531 0.754 2.790 8 H SER 1 HN SER 1 3.171 2.685 -0.552 9 HA SER 1 HA SER 1 5.448 2.865 -0.677 10 1HB SER 1 2HB SER 1 4.910 2.106 2.165 11 2HB SER 1 3HB SER 1 6.593 1.998 1.597 12 HG SER 1 HG SER 1 5.250 4.265 0.805 13 H PHE 2 HN PHE 2 7.577 1.544 -0.500 14 HA PHE 2 HA PHE 2 6.947 -1.305 -1.118 15 1HB PHE 2 2HB PHE 2 7.507 -0.152 -3.156 16 2HB PHE 2 3HB PHE 2 8.916 0.612 -2.400 17 HD1 PHE 2 HD1 PHE 2 7.512 -2.765 -3.235 18 HD2 PHE 2 HD2 PHE 2 11.020 -0.363 -2.624 19 HE1 PHE 2 HE1 PHE 2 8.936 -4.656 -3.976 20 HE2 PHE 2 HE2 PHE 2 12.444 -2.254 -3.365 21 HZ PHE 2 HZ PHE 2 11.401 -4.400 -4.041 22 H ILE 3 HN ILE 3 8.051 0.501 1.277 23 HA ILE 3 HA ILE 3 10.123 -1.489 2.013 24 HB ILE 3 HB ILE 3 10.854 1.073 3.075 25 1HG1 ILE 3 2HG1 ILE 3 11.450 2.110 0.806 26 2HG1 ILE 3 3HG1 ILE 3 10.281 0.974 0.091 27 1HG2 ILE 3 1HG2 ILE 3 12.151 -1.127 2.406 28 2HG2 ILE 3 2HG2 ILE 3 12.287 -0.331 0.820 29 3HG2 ILE 3 3HG2 ILE 3 12.961 0.453 2.269 30 1HD1 ILE 3 1HD1 ILE 3 8.522 2.208 0.798 31 2HD1 ILE 3 2HD1 ILE 3 9.185 2.329 2.446 32 3HD1 ILE 3 3HD1 ILE 3 9.697 3.486 1.193 33 H ASP 4 HN ASP 4 10.406 0.779 4.282 34 HA ASP 4 HA ASP 4 8.111 1.015 5.768 35 1HB ASP 4 2HB ASP 4 8.560 -1.040 7.371 36 2HB ASP 4 3HB ASP 4 7.549 -1.223 5.920 37 H ASN 5 HN ASN 5 8.684 2.415 7.324 38 HA ASN 5 HA ASN 5 10.116 3.714 8.587 39 1HB ASN 5 2HB ASN 5 11.366 1.238 9.690 40 2HB ASN 5 3HB ASN 5 10.642 2.625 10.533 41 1HD2 ASN 5 1HD2 ASN 5 8.176 2.546 8.862 42 2HD2 ASN 5 2HD2 ASN 5 7.245 1.188 9.456 43 H THR 6 HN THR 6 11.155 2.646 5.915 44 HA THR 6 HA THR 6 13.960 2.149 6.247 45 HB THR 6 HB THR 6 12.739 1.468 4.238 46 HG1 THR 6 HG1 THR 6 14.148 2.680 2.707 47 1HG2 THR 6 1HG2 THR 6 12.053 4.382 4.228 48 2HG2 THR 6 2HG2 THR 6 12.315 3.607 2.647 49 3HG2 THR 6 3HG2 THR 6 11.068 2.978 3.751 50 H CYS 7 HN CYS 7 13.782 4.106 7.970 51 HA CYS 7 HA CYS 7 13.976 6.758 6.891 52 1HB CYS 7 2HB CYS 7 14.348 5.388 9.496 53 2HB CYS 7 3HB CYS 7 15.275 6.882 9.280 54 H ARG 8 HN ARG 8 16.270 7.812 8.092 55 HA ARG 8 HA ARG 8 18.593 6.323 7.134 56 1HB ARG 8 2HB ARG 8 17.254 7.959 5.307 57 2HB ARG 8 3HB ARG 8 18.580 8.982 5.910 58 1HG ARG 8 2HG ARG 8 19.007 6.108 5.017 59 2HG ARG 8 3HG ARG 8 19.135 7.488 3.900 60 1HD ARG 8 2HD ARG 8 20.771 8.515 5.581 61 2HD ARG 8 3HD ARG 8 20.793 6.930 6.383 62 HE ARG 8 HE ARG 8 21.339 6.277 3.792 63 1HH1 ARG 8 2HH2 ARG 8 22.651 8.683 6.026 64 2HH1 ARG 8 1HH2 ARG 8 24.253 8.661 5.324 65 1HH2 ARG 8 2HH1 ARG 8 23.456 6.248 2.866 66 2HH2 ARG 8 1HH1 ARG 8 24.712 7.273 3.523 67 H GLY 9 HN GLY 9 17.005 8.951 8.789 68 1HA GLY 9 1HA GLY 9 19.621 9.773 9.967 69 2HA GLY 9 2HA GLY 9 18.187 10.818 9.841 70 H VAL 10 HN VAL 10 17.175 7.687 10.532 71 HA VAL 10 HA VAL 10 16.053 8.247 13.003 72 HB VAL 10 HB VAL 10 15.412 6.285 11.762 73 1HG1 VAL 10 1HG1 VAL 10 16.964 4.402 11.411 74 2HG1 VAL 10 2HG1 VAL 10 17.621 5.891 10.690 75 3HG1 VAL 10 3HG1 VAL 10 18.257 5.299 12.243 76 1HG2 VAL 10 1HG2 VAL 10 15.255 4.751 13.532 77 2HG2 VAL 10 2HG2 VAL 10 16.895 5.112 14.120 78 3HG2 VAL 10 3HG2 VAL 10 15.577 6.279 14.387 79 H MET 11 HN MET 11 19.365 8.026 12.252 80 HA MET 11 HA MET 11 20.169 7.099 14.922 81 1HB MET 11 2HB MET 11 21.712 8.020 12.468 82 2HB MET 11 3HB MET 11 22.473 7.489 13.987 83 1HG MET 11 2HG MET 11 20.505 5.824 12.380 84 2HG MET 11 3HG MET 11 22.265 5.689 12.234 85 1HE MET 11 1HE MET 11 19.271 5.717 14.316 86 2HE MET 11 2HE MET 11 19.213 3.943 14.454 87 3HE MET 11 3HE MET 11 19.668 4.931 15.863 88 H GLY 12 HN GLY 12 21.483 9.850 13.045 89 1HA GLY 12 1HA GLY 12 22.259 11.446 15.128 90 2HA GLY 12 2HA GLY 12 21.641 12.093 13.591 91 H ASN 13 HN ASN 13 18.955 11.131 13.782 92 HA ASN 13 HA ASN 13 17.750 13.231 15.236 93 1HB ASN 13 2HB ASN 13 16.679 10.583 14.205 94 2HB ASN 13 3HB ASN 13 15.652 11.858 14.894 95 1HD2 ASN 13 1HD2 ASN 13 16.521 10.584 12.034 96 2HD2 ASN 13 2HD2 ASN 13 16.510 12.008 11.016 97 H ARG 14 HN ARG 14 17.564 9.701 15.973 98 HA ARG 14 HA ARG 14 17.016 8.680 17.975 99 1HB ARG 14 2HB ARG 14 18.736 9.093 19.703 100 2HB ARG 14 3HB ARG 14 19.461 8.952 18.084 101 1HG ARG 14 2HG ARG 14 19.588 11.389 17.887 102 2HG ARG 14 3HG ARG 14 18.754 11.585 19.448 103 1HD ARG 14 2HD ARG 14 20.731 10.007 20.297 104 2HD ARG 14 3HD ARG 14 21.559 10.672 18.872 105 HE ARG 14 HE ARG 14 20.535 12.901 20.110 106 1HH1 ARG 14 2HH2 ARG 14 22.526 10.168 21.143 107 2HH1 ARG 14 1HH2 ARG 14 23.392 11.082 22.358 108 1HH2 ARG 14 2HH1 ARG 14 21.679 14.108 21.715 109 2HH2 ARG 14 1HH1 ARG 14 22.909 13.329 22.684 110 H ASP 15 HN ASP 15 15.558 11.255 17.341 111 HA ASP 15 HA ASP 15 14.570 11.705 20.096 112 1HB ASP 15 2HB ASP 15 15.574 13.797 18.154 113 2HB ASP 15 3HB ASP 15 14.377 14.189 19.407 114 H ILE 16 HN ILE 16 14.137 12.461 16.597 115 HA ILE 16 HA ILE 16 11.323 12.917 16.809 116 HB ILE 16 HB ILE 16 12.733 11.933 14.321 117 1HG1 ILE 16 2HG1 ILE 16 12.887 14.699 15.594 118 2HG1 ILE 16 3HG1 ILE 16 14.242 13.571 15.354 119 1HG2 ILE 16 1HG2 ILE 16 10.187 12.549 14.609 120 2HG2 ILE 16 2HG2 ILE 16 10.785 14.226 14.583 121 3HG2 ILE 16 3HG2 ILE 16 11.082 13.153 13.194 122 1HD1 ILE 16 1HD1 ILE 16 14.554 14.464 13.307 123 2HD1 ILE 16 2HD1 ILE 16 12.964 13.822 12.830 124 3HD1 ILE 16 3HD1 ILE 16 13.098 15.471 13.486 125 H TYR 17 HN TYR 17 13.309 10.044 16.665 126 HA TYR 17 HA TYR 17 11.242 8.285 15.672 127 1HB TYR 17 2HB TYR 17 13.774 7.954 15.604 128 2HB TYR 17 3HB TYR 17 13.670 7.552 17.327 129 HD1 TYR 17 HD1 TYR 17 12.240 5.585 18.043 130 HD2 TYR 17 HD2 TYR 17 13.251 6.358 13.940 131 HE1 TYR 17 HE1 TYR 17 11.672 3.242 17.462 132 HE2 TYR 17 HE2 TYR 17 12.683 4.014 13.359 133 HH TYR 17 HH TYR 17 11.377 1.725 15.763 134 H LYS 18 HN LYS 18 12.851 8.374 18.903 135 HA LYS 18 HA LYS 18 10.956 6.848 20.258 136 1HB LYS 18 2HB LYS 18 11.765 8.228 22.287 137 2HB LYS 18 3HB LYS 18 12.992 7.329 21.363 138 1HG LYS 18 2HG LYS 18 14.093 9.272 21.049 139 2HG LYS 18 3HG LYS 18 12.721 9.837 20.067 140 1HD LYS 18 2HD LYS 18 13.155 11.432 21.881 141 2HD LYS 18 3HD LYS 18 11.593 10.622 22.153 142 1HE LYS 18 2HE LYS 18 13.433 8.933 23.394 143 2HE LYS 18 3HE LYS 18 14.049 10.558 23.764 144 1HZ LYS 18 1HZ LYS 18 12.545 10.048 25.419 145 2HZ LYS 18 2HZ LYS 18 11.711 11.062 24.421 146 3HZ LYS 18 3HZ LYS 18 11.419 9.439 24.378 147 H LYS 19 HN LYS 19 10.931 10.317 19.448 148 HA LYS 19 HA LYS 19 8.643 10.950 21.070 149 1HB LYS 19 2HB LYS 19 10.410 12.544 20.132 150 2HB LYS 19 3HB LYS 19 9.572 12.396 18.569 151 1HG LYS 19 2HG LYS 19 7.495 12.851 20.372 152 2HG LYS 19 3HG LYS 19 8.800 13.898 20.977 153 1HD LYS 19 2HD LYS 19 7.341 15.021 19.267 154 2HD LYS 19 3HD LYS 19 9.051 14.933 18.781 155 1HE LYS 19 2HE LYS 19 8.324 13.971 16.872 156 2HE LYS 19 3HE LYS 19 7.980 12.530 17.853 157 1HZ LYS 19 1HZ LYS 19 6.191 14.073 16.493 158 2HZ LYS 19 2HZ LYS 19 5.856 12.848 17.546 159 3HZ LYS 19 3HZ LYS 19 5.917 14.405 18.085 160 H VAL 20 HN VAL 20 9.090 10.333 17.546 161 HA VAL 20 HA VAL 20 6.376 10.571 16.824 162 HB VAL 20 HB VAL 20 8.759 9.098 15.691 163 1HG1 VAL 20 1HG1 VAL 20 6.830 7.685 15.167 164 2HG1 VAL 20 2HG1 VAL 20 5.899 9.106 14.636 165 3HG1 VAL 20 3HG1 VAL 20 7.322 8.576 13.707 166 1HG2 VAL 20 1HG2 VAL 20 7.859 11.721 15.579 167 2HG2 VAL 20 2HG2 VAL 20 8.961 10.960 14.407 168 3HG2 VAL 20 3HG2 VAL 20 7.214 11.022 14.074 169 H VAL 21 HN VAL 21 8.216 7.485 17.200 170 HA VAL 21 HA VAL 21 6.141 5.703 17.137 171 HB VAL 21 HB VAL 21 8.536 5.113 17.386 172 1HG1 VAL 21 1HG1 VAL 21 9.749 5.483 19.334 173 2HG1 VAL 21 2HG1 VAL 21 8.686 6.911 19.346 174 3HG1 VAL 21 3HG1 VAL 21 8.295 5.502 20.361 175 1HG2 VAL 21 1HG2 VAL 21 6.569 3.992 19.418 176 2HG2 VAL 21 2HG2 VAL 21 6.966 3.343 17.809 177 3HG2 VAL 21 3HG2 VAL 21 8.169 3.270 19.119 178 H ARG 22 HN ARG 22 7.048 7.860 19.820 179 HA ARG 22 HA ARG 22 5.260 6.681 21.735 180 1HB ARG 22 2HB ARG 22 7.228 8.083 22.323 181 2HB ARG 22 3HB ARG 22 6.419 9.493 21.598 182 1HG ARG 22 2HG ARG 22 5.912 9.647 23.913 183 2HG ARG 22 3HG ARG 22 4.449 8.940 23.187 184 1HD ARG 22 2HD ARG 22 4.704 7.004 24.323 185 2HD ARG 22 3HD ARG 22 6.428 6.901 23.907 186 HE ARG 22 HE ARG 22 6.073 8.926 25.875 187 1HH1 ARG 22 2HH2 ARG 22 5.894 5.419 25.460 188 2HH1 ARG 22 1HH2 ARG 22 6.304 5.064 27.123 189 1HH2 ARG 22 2HH1 ARG 22 6.614 8.456 28.072 190 2HH2 ARG 22 1HH1 ARG 22 6.715 6.796 28.612 191 H VAL 23 HN VAL 23 5.003 9.262 19.291 192 HA VAL 23 HA VAL 23 2.448 10.226 20.177 193 HB VAL 23 HB VAL 23 4.083 10.452 17.643 194 1HG1 VAL 23 1HG1 VAL 23 2.299 12.111 16.909 195 2HG1 VAL 23 2HG1 VAL 23 1.809 10.401 16.838 196 3HG1 VAL 23 3HG1 VAL 23 1.251 11.432 18.178 197 1HG2 VAL 23 1HG2 VAL 23 3.046 12.798 19.150 198 2HG2 VAL 23 2HG2 VAL 23 4.194 11.767 20.039 199 3HG2 VAL 23 3HG2 VAL 23 4.670 12.495 18.486 200 H CYS 24 HN CYS 24 3.522 7.456 18.352 201 HA CYS 24 HA CYS 24 0.988 7.021 16.998 202 1HB CYS 24 2HB CYS 24 3.296 5.116 17.506 203 2HB CYS 24 3HB CYS 24 2.000 4.919 16.314 204 H GLU 25 HN GLU 25 2.637 5.851 19.947 205 HA GLU 25 HA GLU 25 0.841 3.780 20.607 206 1HB GLU 25 2HB GLU 25 2.600 5.623 22.250 207 2HB GLU 25 3HB GLU 25 1.625 4.332 22.994 208 1HG GLU 25 2HG GLU 25 3.213 3.531 20.609 209 2HG GLU 25 3HG GLU 25 4.162 3.973 22.045 210 H ASP 26 HN ASP 26 0.862 7.227 21.674 211 HA ASP 26 HA ASP 26 -1.494 7.137 23.195 212 1HB ASP 26 2HB ASP 26 0.269 9.136 22.024 213 2HB ASP 26 3HB ASP 26 -1.428 9.657 21.949 214 H CYS 27 HN CYS 27 -1.134 8.270 19.781 215 HA CYS 27 HA CYS 27 -3.865 8.563 19.238 216 1HB CYS 27 2HB CYS 27 -2.705 9.401 17.497 217 2HB CYS 27 3HB CYS 27 -1.354 8.279 17.731 218 H THR 28 HN THR 28 -1.755 5.673 18.982 219 HA THR 28 HA THR 28 -3.607 3.945 17.759 220 HB THR 28 HB THR 28 -1.296 3.538 19.671 221 HG1 THR 28 HG1 THR 28 -0.274 3.160 17.855 222 1HG2 THR 28 1HG2 THR 28 -1.522 1.098 19.194 223 2HG2 THR 28 2HG2 THR 28 -2.902 1.734 20.121 224 3HG2 THR 28 3HG2 THR 28 -3.070 1.422 18.377 225 H ASN 29 HN ASN 29 -3.488 5.268 20.992 226 HA ASN 29 HA ASN 29 -5.229 3.235 22.144 227 1HB ASN 29 2HB ASN 29 -4.509 5.992 23.197 228 2HB ASN 29 3HB ASN 29 -5.141 4.615 24.126 229 1HD2 ASN 29 1HD2 ASN 29 -2.509 6.267 24.128 230 2HD2 ASN 29 2HD2 ASN 29 -1.259 5.041 24.141 231 H ILE 30 HN ILE 30 -5.516 6.524 20.790 232 HA ILE 30 HA ILE 30 -8.140 7.118 21.557 233 HB ILE 30 HB ILE 30 -6.390 7.832 19.213 234 1HG1 ILE 30 2HG1 ILE 30 -6.621 10.071 20.207 235 2HG1 ILE 30 3HG1 ILE 30 -7.799 9.443 21.385 236 1HG2 ILE 30 1HG2 ILE 30 -9.346 7.976 19.342 237 2HG2 ILE 30 2HG2 ILE 30 -8.553 9.525 18.969 238 3HG2 ILE 30 3HG2 ILE 30 -8.258 8.104 17.939 239 1HD1 ILE 30 1HD1 ILE 30 -4.895 8.553 21.113 240 2HD1 ILE 30 2HD1 ILE 30 -5.552 9.597 22.396 241 3HD1 ILE 30 3HD1 ILE 30 -6.073 7.900 22.277 242 H PHE 31 HN PHE 31 -7.069 5.607 18.452 243 HA PHE 31 HA PHE 31 -9.832 4.730 17.962 244 1HB PHE 31 2HB PHE 31 -7.395 4.114 16.286 245 2HB PHE 31 3HB PHE 31 -9.091 4.214 15.781 246 HD1 PHE 31 HD1 PHE 31 -10.197 6.412 15.523 247 HD2 PHE 31 HD2 PHE 31 -6.017 6.079 16.455 248 HE1 PHE 31 HE1 PHE 31 -9.861 8.779 14.864 249 HE2 PHE 31 HE2 PHE 31 -5.681 8.446 15.796 250 HZ PHE 31 HZ PHE 31 -7.603 9.796 15.001 251 H ARG 32 HN ARG 32 -6.925 3.564 19.406 252 HA ARG 32 HA ARG 32 -6.502 1.555 20.439 253 1HB ARG 32 2HB ARG 32 -9.344 1.537 20.062 254 2HB ARG 32 3HB ARG 32 -8.720 -0.081 19.660 255 1HG ARG 32 2HG ARG 32 -7.527 1.175 22.077 256 2HG ARG 32 3HG ARG 32 -9.253 0.760 22.210 257 1HD ARG 32 2HD ARG 32 -8.674 -1.388 22.536 258 2HD ARG 32 3HD ARG 32 -7.998 -1.422 20.893 259 HE ARG 32 HE ARG 32 -6.410 -0.588 23.287 260 1HH1 ARG 32 2HH2 ARG 32 -6.819 -2.344 20.245 261 2HH1 ARG 32 1HH2 ARG 32 -5.181 -2.956 20.220 262 1HH2 ARG 32 2HH1 ARG 32 -4.246 -1.397 23.254 263 2HH2 ARG 32 1HH1 ARG 32 -3.714 -2.416 21.935 264 H LEU 33 HN LEU 33 -7.601 1.750 17.113 265 HA LEU 33 HA LEU 33 -6.924 -0.781 16.141 266 1HB LEU 33 2HB LEU 33 -6.775 1.996 14.933 267 2HB LEU 33 3HB LEU 33 -6.390 0.532 13.997 268 HG LEU 33 HG LEU 33 -8.708 -0.308 15.016 269 1HD1 LEU 33 1HD1 LEU 33 -8.578 2.392 15.910 270 2HD1 LEU 33 2HD1 LEU 33 -9.800 2.342 14.616 271 3HD1 LEU 33 3HD1 LEU 33 -9.956 1.271 16.030 272 1HD2 LEU 33 1HD2 LEU 33 -8.006 0.144 12.585 273 2HD2 LEU 33 2HD2 LEU 33 -9.741 0.304 12.949 274 3HD2 LEU 33 3HD2 LEU 33 -8.728 1.759 12.788 275 HA PRO 34 HA PRO 34 -2.562 -0.870 16.973 276 1HB PRO 34 2HB PRO 34 -2.051 -3.318 15.892 277 2HB PRO 34 3HB PRO 34 -3.009 -3.130 17.396 278 1HG PRO 34 2HG PRO 34 -4.064 -3.421 14.569 279 2HG PRO 34 3HG PRO 34 -4.532 -4.383 16.009 280 1HD PRO 34 2HD PRO 34 -5.995 -2.230 15.202 281 2HD PRO 34 3HD PRO 34 -5.713 -2.534 16.943 282 H GLY 35 HN GLY 35 -4.150 -1.286 13.829 283 1HA GLY 35 1HA GLY 35 -1.928 -1.325 12.122 284 2HA GLY 35 2HA GLY 35 -3.513 -0.624 11.723 285 H LEU 36 HN LEU 36 -3.652 1.462 13.596 286 HA LEU 36 HA LEU 36 -2.307 3.537 12.291 287 1HB LEU 36 2HB LEU 36 -3.109 3.531 15.221 288 2HB LEU 36 3HB LEU 36 -3.029 4.921 14.112 289 HG LEU 36 HG LEU 36 -4.892 2.531 13.779 290 1HD1 LEU 36 1HD1 LEU 36 -6.667 4.023 14.512 291 2HD1 LEU 36 2HD1 LEU 36 -5.397 4.008 15.759 292 3HD1 LEU 36 3HD1 LEU 36 -5.526 5.385 14.638 293 1HD2 LEU 36 1HD2 LEU 36 -3.962 4.181 11.830 294 2HD2 LEU 36 2HD2 LEU 36 -5.603 3.494 11.822 295 3HD2 LEU 36 3HD2 LEU 36 -5.334 5.149 12.418 296 H ASP 37 HN ASP 37 -1.306 1.508 15.044 297 HA ASP 37 HA ASP 37 0.841 2.895 16.059 298 1HB ASP 37 2HB ASP 37 -0.134 0.466 16.490 299 2HB ASP 37 3HB ASP 37 1.195 -0.017 15.414 300 H GLY 38 HN GLY 38 1.610 0.208 13.833 301 1HA GLY 38 1HA GLY 38 4.078 1.126 13.008 302 2HA GLY 38 2HA GLY 38 3.010 0.120 12.003 303 H MET 39 HN MET 39 1.068 1.486 11.041 304 HA MET 39 HA MET 39 1.954 3.113 9.049 305 1HB MET 39 2HB MET 39 -0.626 3.268 10.645 306 2HB MET 39 3HB MET 39 -0.346 4.197 9.152 307 1HG MET 39 2HG MET 39 0.258 1.995 8.037 308 2HG MET 39 3HG MET 39 -0.334 1.181 9.495 309 1HE MET 39 1HE MET 39 -2.385 2.829 10.481 310 2HE MET 39 2HE MET 39 -3.022 4.027 9.329 311 3HE MET 39 3HE MET 39 -3.958 2.557 9.692 312 H CYS 40 HN CYS 40 0.679 4.373 12.185 313 HA CYS 40 HA CYS 40 1.140 7.051 11.875 314 1HB CYS 40 2HB CYS 40 0.159 6.148 13.878 315 2HB CYS 40 3HB CYS 40 1.648 5.277 14.280 316 H ARG 41 HN ARG 41 3.562 4.508 12.498 317 HA ARG 41 HA ARG 41 5.666 6.530 11.905 318 1HB ARG 41 2HB ARG 41 7.081 5.075 13.531 319 2HB ARG 41 3HB ARG 41 5.920 6.231 14.226 320 1HG ARG 41 2HG ARG 41 5.045 4.479 15.359 321 2HG ARG 41 3HG ARG 41 4.398 3.920 13.797 322 1HD ARG 41 2HD ARG 41 5.683 2.121 14.848 323 2HD ARG 41 3HD ARG 41 6.525 2.687 13.389 324 HE ARG 41 HE ARG 41 7.561 4.182 15.517 325 1HH1 ARG 41 2HH2 ARG 41 7.325 0.790 14.551 326 2HH1 ARG 41 1HH2 ARG 41 8.809 0.317 15.347 327 1HH2 ARG 41 2HH1 ARG 41 9.522 3.558 16.569 328 2HH2 ARG 41 1HH1 ARG 41 10.062 1.896 16.498 329 H ASN 42 HN ASN 42 4.454 4.951 9.948 330 HA ASN 42 HA ASN 42 6.313 2.676 9.551 331 1HB ASN 42 2HB ASN 42 3.705 2.613 9.296 332 2HB ASN 42 3HB ASN 42 4.017 3.404 7.736 333 1HD2 ASN 42 1HD2 ASN 42 5.806 2.325 6.376 334 2HD2 ASN 42 2HD2 ASN 42 5.788 0.575 6.325 335 H ARG 43 HN ARG 43 6.617 2.440 6.932 336 HA ARG 43 HA ARG 43 8.337 3.253 5.525 337 1HB ARG 43 2HB ARG 43 7.108 5.119 4.114 338 2HB ARG 43 3HB ARG 43 6.500 3.446 4.114 339 1HG ARG 43 2HG ARG 43 5.463 5.089 6.340 340 2HG ARG 43 3HG ARG 43 4.994 5.685 4.729 341 1HD ARG 43 2HD ARG 43 4.455 3.159 4.249 342 2HD ARG 43 3HD ARG 43 4.422 3.014 6.020 343 HE ARG 43 HE ARG 43 2.798 5.143 5.633 344 1HH1 ARG 43 2HH2 ARG 43 2.988 1.982 4.061 345 2HH1 ARG 43 1HH2 ARG 43 1.279 1.907 3.698 346 1HH2 ARG 43 2HH1 ARG 43 0.539 5.044 5.153 347 2HH2 ARG 43 1HH1 ARG 43 -0.117 3.653 4.321 348 H CYS 44 HN CYS 44 9.091 4.220 7.955 349 HA CYS 44 HA CYS 44 10.311 5.885 8.941 350 1HB CYS 44 2HB CYS 44 11.502 5.792 6.770 351 2HB CYS 44 3HB CYS 44 10.388 7.006 6.121 352 H PHE 45 HN PHE 45 7.759 6.156 9.550 353 HA PHE 45 HA PHE 45 5.985 7.609 9.889 354 1HB PHE 45 2HB PHE 45 8.063 9.732 10.318 355 2HB PHE 45 3HB PHE 45 6.631 9.342 11.286 356 HD1 PHE 45 HD1 PHE 45 9.387 9.828 12.418 357 HD2 PHE 45 HD2 PHE 45 7.441 6.226 11.120 358 HE1 PHE 45 HE1 PHE 45 10.801 8.506 13.968 359 HE2 PHE 45 HE2 PHE 45 8.855 4.903 12.670 360 HZ PHE 45 HZ PHE 45 10.535 6.043 14.095 361 H TYR 46 HN TYR 46 7.033 7.493 7.076 362 HA TYR 46 HA TYR 46 6.289 10.248 6.217 363 1HB TYR 46 2HB TYR 46 8.575 9.278 5.619 364 2HB TYR 46 3HB TYR 46 7.709 8.124 4.590 365 HD1 TYR 46 HD1 TYR 46 7.427 11.824 5.233 366 HD2 TYR 46 HD2 TYR 46 7.861 8.667 2.352 367 HE1 TYR 46 HE1 TYR 46 7.385 13.492 3.399 368 HE2 TYR 46 HE2 TYR 46 7.820 10.336 0.518 369 HH TYR 46 HH TYR 46 6.850 12.807 0.219 370 H ASN 47 HN ASN 47 4.020 9.845 6.401 371 HA ASN 47 HA ASN 47 2.800 8.917 4.029 372 1HB ASN 47 2HB ASN 47 3.639 6.748 5.373 373 2HB ASN 47 3HB ASN 47 2.098 7.009 6.220 374 1HD2 ASN 47 1HD2 ASN 47 0.112 7.177 4.893 375 2HD2 ASN 47 2HD2 ASN 47 0.024 6.282 3.392 376 H GLU 48 HN GLU 48 2.813 11.070 6.079 377 HA GLU 48 HA GLU 48 1.303 12.442 7.115 378 1HB GLU 48 2HB GLU 48 -0.713 12.724 6.031 379 2HB GLU 48 3HB GLU 48 0.148 11.763 4.805 380 1HG GLU 48 2HG GLU 48 -1.295 10.048 5.032 381 2HG GLU 48 3HG GLU 48 -1.087 10.036 6.796 382 H TRP 49 HN TRP 49 1.115 9.011 7.422 383 HA TRP 49 HA TRP 49 -0.948 8.585 9.224 384 1HB TRP 49 2HB TRP 49 1.797 7.414 8.870 385 2HB TRP 49 3HB TRP 49 0.799 6.901 10.238 386 HD1 TRP 49 HD1 TRP 49 1.743 5.368 7.365 387 HE1 TRP 49 HE1 TRP 49 -0.041 3.995 6.173 388 HE3 TRP 49 HE3 TRP 49 -2.425 7.428 9.505 389 HZ2 TRP 49 HZ2 TRP 49 -2.929 3.807 6.143 390 HZ3 TRP 49 HZ3 TRP 49 -4.671 6.628 8.870 391 HH2 TRP 49 HH2 TRP 49 -4.940 4.823 7.195 392 H PHE 50 HN PHE 50 1.681 10.716 9.575 393 HA PHE 50 HA PHE 50 1.884 10.511 12.479 394 1HB PHE 50 2HB PHE 50 3.614 11.305 10.612 395 2HB PHE 50 3HB PHE 50 2.857 12.876 10.924 396 HD1 PHE 50 HD1 PHE 50 3.148 10.347 13.584 397 HD2 PHE 50 HD2 PHE 50 4.916 13.836 11.809 398 HE1 PHE 50 HE1 PHE 50 4.580 10.640 15.588 399 HE2 PHE 50 HE2 PHE 50 6.348 14.130 13.813 400 HZ PHE 50 HZ PHE 50 6.179 12.532 15.702 401 H LEU 51 HN LEU 51 0.048 12.314 10.077 402 HA LEU 51 HA LEU 51 -0.818 14.356 11.968 403 1HB LEU 51 2HB LEU 51 -0.573 14.790 9.532 404 2HB LEU 51 3HB LEU 51 -1.868 13.612 9.209 405 HG LEU 51 HG LEU 51 -2.909 15.319 11.198 406 1HD1 LEU 51 1HD1 LEU 51 -1.006 16.704 9.373 407 2HD1 LEU 51 2HD1 LEU 51 -2.606 17.465 9.539 408 3HD1 LEU 51 3HD1 LEU 51 -1.601 17.184 10.981 409 1HD2 LEU 51 1HD2 LEU 51 -3.276 15.231 8.174 410 2HD2 LEU 51 2HD2 LEU 51 -4.203 14.323 9.392 411 3HD2 LEU 51 3HD2 LEU 51 -4.362 16.093 9.290 412 H ILE 52 HN ILE 52 -2.055 11.308 10.591 413 HA ILE 52 HA ILE 52 -4.718 11.469 11.464 414 HB ILE 52 HB ILE 52 -2.877 9.052 11.273 415 1HG1 ILE 52 2HG1 ILE 52 -4.283 8.869 9.064 416 2HG1 ILE 52 3HG1 ILE 52 -4.580 10.606 9.316 417 1HG2 ILE 52 1HG2 ILE 52 -4.791 8.380 12.524 418 2HG2 ILE 52 2HG2 ILE 52 -5.884 9.383 11.540 419 3HG2 ILE 52 3HG2 ILE 52 -5.154 7.916 10.844 420 1HD1 ILE 52 1HD1 ILE 52 -2.533 11.086 8.506 421 2HD1 ILE 52 2HD1 ILE 52 -1.786 10.079 9.770 422 3HD1 ILE 52 3HD1 ILE 52 -2.254 9.353 8.214 423 H CYS 53 HN CYS 53 -1.758 10.418 13.189 424 HA CYS 53 HA CYS 53 -3.231 9.729 15.596 425 1HB CYS 53 2HB CYS 53 -0.299 10.045 14.909 426 2HB CYS 53 3HB CYS 53 -0.864 9.638 16.538 427 H LEU 54 HN LEU 54 -0.985 12.371 14.608 428 HA LEU 54 HA LEU 54 -1.093 13.839 17.001 429 1HB LEU 54 2HB LEU 54 -0.384 14.330 14.163 430 2HB LEU 54 3HB LEU 54 -0.839 15.779 15.091 431 HG LEU 54 HG LEU 54 0.779 14.375 16.868 432 1HD1 LEU 54 1HD1 LEU 54 1.488 12.800 15.147 433 2HD1 LEU 54 2HD1 LEU 54 1.864 14.135 14.030 434 3HD1 LEU 54 3HD1 LEU 54 2.838 13.905 15.502 435 1HD2 LEU 54 1HD2 LEU 54 2.514 16.133 15.625 436 2HD2 LEU 54 2HD2 LEU 54 0.924 16.777 15.151 437 3HD2 LEU 54 3HD2 LEU 54 1.327 16.581 16.874 438 H LYS 55 HN LYS 55 -3.589 13.136 14.781 439 HA LYS 55 HA LYS 55 -5.099 15.597 15.321 440 1HB LYS 55 2HB LYS 55 -5.179 13.372 13.413 441 2HB LYS 55 3HB LYS 55 -6.787 13.771 14.064 442 1HG LYS 55 2HG LYS 55 -6.843 15.785 13.007 443 2HG LYS 55 3HG LYS 55 -5.139 16.133 13.384 444 1HD LYS 55 2HD LYS 55 -4.762 15.753 11.177 445 2HD LYS 55 3HD LYS 55 -4.938 14.031 11.590 446 1HE LYS 55 2HE LYS 55 -7.220 13.992 10.934 447 2HE LYS 55 3HE LYS 55 -7.337 15.766 10.938 448 1HZ LYS 55 1HZ LYS 55 -7.131 15.279 8.750 449 2HZ LYS 55 2HZ LYS 55 -5.553 15.559 9.139 450 3HZ LYS 55 3HZ LYS 55 -6.100 14.012 8.978 451 H ALA 56 HN ALA 56 -5.296 12.074 16.017 452 HA ALA 56 HA ALA 56 -7.680 12.228 17.565 453 1HB ALA 56 1HB ALA 56 -5.874 10.247 16.676 454 2HB ALA 56 2HB ALA 56 -5.873 10.137 18.452 455 3HB ALA 56 3HB ALA 56 -7.403 9.999 17.553 456 H ALA 57 HN ALA 57 -4.556 13.447 18.143 457 HA ALA 57 HA ALA 57 -5.076 13.490 21.079 458 1HB ALA 57 1HB ALA 57 -2.512 13.953 21.109 459 2HB ALA 57 2HB ALA 57 -3.074 12.289 20.820 460 3HB ALA 57 3HB ALA 57 -2.535 13.296 19.455 461 H ASN 58 HN ASN 58 -5.797 15.287 18.603 462 HA ASN 58 HA ASN 58 -6.122 17.534 18.302 463 1HB ASN 58 2HB ASN 58 -6.881 18.101 20.368 464 2HB ASN 58 3HB ASN 58 -5.545 17.276 21.200 465 1HD2 ASN 58 1HD2 ASN 58 -3.302 18.367 20.793 466 2HD2 ASN 58 2HD2 ASN 58 -3.279 20.111 20.942 467 H ARG 59 HN ARG 59 -3.112 16.107 18.964 468 HA ARG 59 HA ARG 59 -1.365 18.339 18.832 469 1HB ARG 59 2HB ARG 59 -0.792 15.582 17.705 470 2HB ARG 59 3HB ARG 59 0.344 16.732 18.449 471 1HG ARG 59 2HG ARG 59 -1.980 15.407 19.908 472 2HG ARG 59 3HG ARG 59 -0.290 14.853 19.985 473 1HD ARG 59 2HD ARG 59 0.292 16.498 21.425 474 2HD ARG 59 3HD ARG 59 -0.568 17.735 20.484 475 HE ARG 59 HE ARG 59 -2.349 15.977 21.966 476 1HH1 ARG 59 2HH2 ARG 59 -0.304 18.858 22.100 477 2HH1 ARG 59 1HH2 ARG 59 -1.182 19.586 23.427 478 1HH2 ARG 59 2HH1 ARG 59 -3.508 16.939 23.719 479 2HH2 ARG 59 1HH1 ARG 59 -3.008 18.492 24.349 480 H GLU 60 HN GLU 60 -3.708 18.001 16.778 481 HA GLU 60 HA GLU 60 -2.443 17.792 14.210 482 1HB GLU 60 2HB GLU 60 -4.894 17.442 14.735 483 2HB GLU 60 3HB GLU 60 -5.039 19.206 14.916 484 1HG GLU 60 2HG GLU 60 -4.459 19.595 12.642 485 2HG GLU 60 3HG GLU 60 -3.843 17.941 12.432 486 H ASP 61 HN ASP 61 -0.812 19.453 15.711 487 HA ASP 61 HA ASP 61 -1.020 21.941 14.139 488 1HB ASP 61 2HB ASP 61 -1.277 21.703 17.107 489 2HB ASP 61 3HB ASP 61 -0.268 23.026 16.482 490 H GLU 62 HN GLU 62 0.750 19.592 16.076 491 HA GLU 62 HA GLU 62 3.313 20.945 15.547 492 1HB GLU 62 2HB GLU 62 3.007 18.235 16.832 493 2HB GLU 62 3HB GLU 62 4.222 19.499 17.137 494 1HG GLU 62 2HG GLU 62 2.457 20.937 18.127 495 2HG GLU 62 3HG GLU 62 1.263 19.652 17.847 496 H ILE 63 HN ILE 63 1.547 19.792 13.381 497 HA ILE 63 HA ILE 63 2.984 17.437 12.441 498 HB ILE 63 HB ILE 63 1.258 19.015 10.598 499 1HG1 ILE 63 2HG1 ILE 63 0.330 19.211 13.034 500 2HG1 ILE 63 3HG1 ILE 63 -0.768 18.652 11.750 501 1HG2 ILE 63 1HG2 ILE 63 0.272 16.457 10.822 502 2HG2 ILE 63 2HG2 ILE 63 1.552 16.947 9.687 503 3HG2 ILE 63 3HG2 ILE 63 1.982 16.215 11.251 504 1HD1 ILE 63 1HD1 ILE 63 -0.730 16.444 12.491 505 2HD1 ILE 63 2HD1 ILE 63 0.867 16.619 13.256 506 3HD1 ILE 63 3HD1 ILE 63 -0.574 17.314 14.036 507 H GLU 64 HN GLU 64 2.538 20.812 11.226 508 HA GLU 64 HA GLU 64 4.225 20.844 9.092 509 1HB GLU 64 2HB GLU 64 4.729 23.212 9.695 510 2HB GLU 64 3HB GLU 64 3.002 22.813 9.854 511 1HG GLU 64 2HG GLU 64 3.521 22.290 12.321 512 2HG GLU 64 3HG GLU 64 5.077 23.105 12.050 513 H LYS 65 HN LYS 65 5.309 21.444 12.485 514 HA LYS 65 HA LYS 65 8.075 21.490 11.867 515 1HB LYS 65 2HB LYS 65 8.294 20.955 14.353 516 2HB LYS 65 3HB LYS 65 7.329 22.395 13.949 517 1HG LYS 65 2HG LYS 65 5.428 21.481 14.781 518 2HG LYS 65 3HG LYS 65 5.737 19.918 13.987 519 1HD LYS 65 2HD LYS 65 6.153 19.140 16.079 520 2HD LYS 65 3HD LYS 65 7.704 20.003 15.941 521 1HE LYS 65 2HE LYS 65 5.913 22.011 16.654 522 2HE LYS 65 3HE LYS 65 5.349 20.613 17.595 523 1HZ LYS 65 1HZ LYS 65 7.963 20.484 17.941 524 2HZ LYS 65 2HZ LYS 65 7.769 22.118 17.827 525 3HZ LYS 65 3HZ LYS 65 6.935 21.266 18.966 526 H PHE 66 HN PHE 66 5.902 18.837 12.940 527 HA PHE 66 HA PHE 66 7.885 16.839 13.169 528 1HB PHE 66 2HB PHE 66 4.924 16.837 12.590 529 2HB PHE 66 3HB PHE 66 5.848 15.326 12.598 530 HD1 PHE 66 HD1 PHE 66 3.990 14.934 14.447 531 HD2 PHE 66 HD2 PHE 66 7.337 17.593 14.861 532 HE1 PHE 66 HE1 PHE 66 3.775 14.820 16.915 533 HE2 PHE 66 HE2 PHE 66 7.123 17.479 17.329 534 HZ PHE 66 HZ PHE 66 5.341 16.093 18.356 535 H ARG 67 HN ARG 67 6.303 18.283 10.374 536 HA ARG 67 HA ARG 67 6.852 16.221 8.489 537 1HB ARG 67 2HB ARG 67 5.718 18.840 8.525 538 2HB ARG 67 3HB ARG 67 6.987 18.826 7.277 539 1HG ARG 67 2HG ARG 67 5.318 17.921 5.993 540 2HG ARG 67 3HG ARG 67 5.820 16.413 6.795 541 1HD ARG 67 2HD ARG 67 4.130 16.951 8.618 542 2HD ARG 67 3HD ARG 67 3.535 18.262 7.578 543 HE ARG 67 HE ARG 67 3.643 15.521 6.456 544 1HH1 ARG 67 2HH2 ARG 67 1.787 18.242 7.741 545 2HH1 ARG 67 1HH2 ARG 67 0.257 17.672 7.115 546 1HH2 ARG 67 2HH1 ARG 67 1.621 14.767 5.628 547 2HH2 ARG 67 1HH1 ARG 67 0.162 15.691 5.910 548 H VAL 68 HN VAL 68 8.617 19.281 9.237 549 HA VAL 68 HA VAL 68 10.786 18.848 7.504 550 HB VAL 68 HB VAL 68 10.068 20.886 9.029 551 1HG1 VAL 68 1HG1 VAL 68 12.367 20.054 10.730 552 2HG1 VAL 68 2HG1 VAL 68 10.896 20.959 11.162 553 3HG1 VAL 68 3HG1 VAL 68 10.840 19.185 11.020 554 1HG2 VAL 68 1HG2 VAL 68 12.870 21.150 9.091 555 2HG2 VAL 68 2HG2 VAL 68 12.547 20.040 7.736 556 3HG2 VAL 68 3HG2 VAL 68 11.784 21.648 7.772 557 H TRP 69 HN TRP 69 10.053 17.524 10.708 558 HA TRP 69 HA TRP 69 12.670 16.535 11.280 559 1HB TRP 69 2HB TRP 69 9.893 15.709 12.164 560 2HB TRP 69 3HB TRP 69 11.372 14.979 12.804 561 HD1 TRP 69 HD1 TRP 69 12.320 18.394 12.394 562 HE1 TRP 69 HE1 TRP 69 12.045 19.788 14.507 563 HE3 TRP 69 HE3 TRP 69 9.275 15.248 15.046 564 HZ2 TRP 69 HZ2 TRP 69 10.673 19.574 17.047 565 HZ3 TRP 69 HZ3 TRP 69 8.507 15.876 17.305 566 HH2 TRP 69 HH2 TRP 69 9.195 18.030 18.318 567 H ILE 70 HN ILE 70 9.723 14.771 10.160 568 HA ILE 70 HA ILE 70 10.890 12.318 9.630 569 HB ILE 70 HB ILE 70 8.620 13.858 8.370 570 1HG1 ILE 70 2HG1 ILE 70 7.907 11.289 9.356 571 2HG1 ILE 70 3HG1 ILE 70 9.035 11.986 10.543 572 1HG2 ILE 70 1HG2 ILE 70 8.072 11.766 7.100 573 2HG2 ILE 70 2HG2 ILE 70 9.565 12.551 6.532 574 3HG2 ILE 70 3HG2 ILE 70 9.658 11.106 7.567 575 1HD1 ILE 70 1HD1 ILE 70 7.581 13.648 11.138 576 2HD1 ILE 70 2HD1 ILE 70 6.992 13.864 9.472 577 3HD1 ILE 70 3HD1 ILE 70 6.356 12.539 10.476 578 H SER 71 HN SER 71 11.350 15.356 7.971 579 HA SER 71 HA SER 71 12.369 14.152 5.524 580 1HB SER 71 2HB SER 71 11.817 16.848 6.598 581 2HB SER 71 3HB SER 71 13.258 16.759 5.558 582 HG SER 71 HG SER 71 12.046 16.245 3.895 583 H ILE 72 HN ILE 72 13.661 15.463 8.572 584 HA ILE 72 HA ILE 72 16.385 15.600 7.840 585 HB ILE 72 HB ILE 72 15.087 14.957 10.518 586 1HG1 ILE 72 2HG1 ILE 72 16.258 17.614 9.714 587 2HG1 ILE 72 3HG1 ILE 72 14.634 17.178 9.131 588 1HG2 ILE 72 1HG2 ILE 72 17.209 15.665 11.495 589 2HG2 ILE 72 2HG2 ILE 72 17.517 14.342 10.345 590 3HG2 ILE 72 3HG2 ILE 72 17.871 16.024 9.882 591 1HD1 ILE 72 1HD1 ILE 72 14.595 16.445 11.830 592 2HD1 ILE 72 2HD1 ILE 72 15.503 17.975 11.817 593 3HD1 ILE 72 3HD1 ILE 72 13.863 17.908 11.129 594 H LEU 73 HN LEU 73 14.374 12.893 9.042 595 HA LEU 73 HA LEU 73 16.497 11.034 9.383 596 1HB LEU 73 2HB LEU 73 13.572 10.573 8.678 597 2HB LEU 73 3HB LEU 73 14.697 9.346 9.307 598 HG LEU 73 HG LEU 73 14.661 11.810 10.920 599 1HD1 LEU 73 1HD1 LEU 73 12.352 10.740 11.900 600 2HD1 LEU 73 2HD1 LEU 73 12.395 12.106 10.760 601 3HD1 LEU 73 3HD1 LEU 73 12.119 10.454 10.159 602 1HD2 LEU 73 1HD2 LEU 73 15.499 9.284 11.285 603 2HD2 LEU 73 2HD2 LEU 73 14.952 10.298 12.642 604 3HD2 LEU 73 3HD2 LEU 73 13.847 9.103 11.922 605 H ASN 74 HN ASN 74 15.057 12.416 6.562 606 HA ASN 74 HA ASN 74 15.907 10.171 4.844 607 1HB ASN 74 2HB ASN 74 14.284 12.688 4.482 608 2HB ASN 74 3HB ASN 74 14.965 11.850 3.071 609 1HD2 ASN 74 1HD2 ASN 74 12.278 12.080 5.060 610 2HD2 ASN 74 2HD2 ASN 74 11.558 10.515 4.751 611 H ALA 75 HN ALA 75 17.641 12.261 6.433 612 HA ALA 75 HA ALA 75 18.972 14.026 4.810 613 1HB ALA 75 1HB ALA 75 19.730 13.972 7.007 614 2HB ALA 75 2HB ALA 75 19.850 12.196 7.034 615 3HB ALA 75 3HB ALA 75 21.069 13.158 6.163 616 H GLY 76 HN GLY 76 20.508 10.840 5.419 617 1HA GLY 76 1HA GLY 76 22.020 10.920 3.010 618 2HA GLY 76 2HA GLY 76 21.747 9.491 4.034 619 H GLN 77 HN GLN 77 18.725 10.003 3.703 620 HA GLN 77 HA GLN 77 18.325 8.163 1.558 621 1HB GLN 77 2HB GLN 77 16.854 9.063 3.690 622 2HB GLN 77 3HB GLN 77 16.052 9.896 2.336 623 1HG GLN 77 2HG GLN 77 15.481 7.888 1.268 624 2HG GLN 77 3HG GLN 77 16.741 6.964 2.116 625 1HE2 GLN 77 1HE2 GLN 77 16.078 8.223 4.743 626 2HE2 GLN 77 2HE2 GLN 77 14.600 7.450 5.275 Start of MODEL 7 1 1H ALA 0 1HN ALA -1 1.352 -0.828 0.478 2 2H ALA 0 2HN ALA -1 0.000 0.000 0.000 3 3H ALA 0 3HN ALA -1 1.352 0.000 -0.956 4 HA ALA 0 HA ALA -1 1.790 1.925 -0.059 5 1HB ALA 0 1HB ALA -1 -0.313 0.967 1.824 6 2HB ALA 0 2HB ALA -1 0.809 2.199 2.450 7 3HB ALA 0 3HB ALA -1 -0.151 2.531 0.988 8 H SER 1 HN SER 1 2.555 -1.131 1.006 9 HA SER 1 HA SER 1 4.493 -1.912 1.973 10 1HB SER 1 2HB SER 1 5.244 0.586 1.170 11 2HB SER 1 3HB SER 1 5.459 0.727 2.932 12 HG SER 1 HG SER 1 6.359 -1.650 1.990 13 H PHE 2 HN PHE 2 5.303 -2.366 4.128 14 HA PHE 2 HA PHE 2 3.352 -1.510 6.205 15 1HB PHE 2 2HB PHE 2 4.483 -4.037 5.415 16 2HB PHE 2 3HB PHE 2 4.971 -3.677 7.080 17 HD1 PHE 2 HD1 PHE 2 3.198 -3.189 8.807 18 HD2 PHE 2 HD2 PHE 2 2.267 -4.705 4.898 19 HE1 PHE 2 HE1 PHE 2 0.969 -3.912 9.619 20 HE2 PHE 2 HE2 PHE 2 0.037 -5.428 5.709 21 HZ PHE 2 HZ PHE 2 -0.612 -5.031 8.069 22 H ILE 3 HN ILE 3 5.886 -0.117 5.171 23 HA ILE 3 HA ILE 3 7.580 -0.229 7.588 24 HB ILE 3 HB ILE 3 8.825 1.566 6.076 25 1HG1 ILE 3 2HG1 ILE 3 8.463 1.022 3.659 26 2HG1 ILE 3 3HG1 ILE 3 7.062 0.027 4.123 27 1HG2 ILE 3 1HG2 ILE 3 8.735 -1.371 5.276 28 2HG2 ILE 3 2HG2 ILE 3 10.110 -0.251 5.117 29 3HG2 ILE 3 3HG2 ILE 3 9.564 -0.765 6.731 30 1HD1 ILE 3 1HD1 ILE 3 5.865 1.922 4.955 31 2HD1 ILE 3 2HD1 ILE 3 7.321 2.946 4.925 32 3HD1 ILE 3 3HD1 ILE 3 6.557 2.441 3.399 33 H ASP 4 HN ASP 4 8.113 2.753 6.483 34 HA ASP 4 HA ASP 4 5.853 4.281 7.259 35 1HB ASP 4 2HB ASP 4 7.426 4.991 9.448 36 2HB ASP 4 3HB ASP 4 5.914 4.059 9.495 37 H ASN 5 HN ASN 5 8.021 5.998 8.859 38 HA ASN 5 HA ASN 5 8.593 7.786 6.759 39 1HB ASN 5 2HB ASN 5 10.249 7.426 9.275 40 2HB ASN 5 3HB ASN 5 9.981 8.915 8.343 41 1HD2 ASN 5 1HD2 ASN 5 7.115 7.166 8.342 42 2HD2 ASN 5 2HD2 ASN 5 6.313 7.937 9.693 43 H THR 6 HN THR 6 9.244 5.154 5.858 44 HA THR 6 HA THR 6 12.021 4.586 5.982 45 HB THR 6 HB THR 6 10.307 2.986 5.211 46 HG1 THR 6 HG1 THR 6 12.566 3.672 3.813 47 1HG2 THR 6 1HG2 THR 6 9.490 5.187 3.620 48 2HG2 THR 6 2HG2 THR 6 10.076 3.951 2.481 49 3HG2 THR 6 3HG2 THR 6 8.787 3.552 3.643 50 H CYS 7 HN CYS 7 12.753 6.911 5.857 51 HA CYS 7 HA CYS 7 12.899 7.846 3.036 52 1HB CYS 7 2HB CYS 7 13.379 9.288 5.665 53 2HB CYS 7 3HB CYS 7 13.553 10.010 4.057 54 H ARG 8 HN ARG 8 14.727 7.353 1.991 55 HA ARG 8 HA ARG 8 17.196 6.981 3.617 56 1HB ARG 8 2HB ARG 8 15.936 5.321 1.709 57 2HB ARG 8 3HB ARG 8 17.361 6.004 0.889 58 1HG ARG 8 2HG ARG 8 17.646 4.984 3.711 59 2HG ARG 8 3HG ARG 8 17.588 3.814 2.371 60 1HD ARG 8 2HD ARG 8 19.523 4.706 1.351 61 2HD ARG 8 3HD ARG 8 19.410 6.229 2.260 62 HE ARG 8 HE ARG 8 19.847 3.802 3.863 63 1HH1 ARG 8 2HH2 ARG 8 21.227 6.597 2.193 64 2HH1 ARG 8 1HH2 ARG 8 22.720 6.576 3.105 65 1HH2 ARG 8 2HH1 ARG 8 21.820 3.776 5.067 66 2HH2 ARG 8 1HH1 ARG 8 23.058 4.968 4.743 67 H GLY 9 HN GLY 9 15.661 9.313 1.934 68 1HA GLY 9 1HA GLY 9 18.202 10.318 0.728 69 2HA GLY 9 2HA GLY 9 16.596 10.618 0.026 70 H VAL 10 HN VAL 10 15.602 10.782 2.976 71 HA VAL 10 HA VAL 10 15.347 13.527 3.196 72 HB VAL 10 HB VAL 10 14.070 11.945 4.551 73 1HG1 VAL 10 1HG1 VAL 10 16.199 11.471 6.537 74 2HG1 VAL 10 2HG1 VAL 10 15.024 10.334 5.835 75 3HG1 VAL 10 3HG1 VAL 10 16.525 10.717 4.958 76 1HG2 VAL 10 1HG2 VAL 10 14.220 13.104 6.716 77 2HG2 VAL 10 2HG2 VAL 10 15.831 13.729 6.288 78 3HG2 VAL 10 3HG2 VAL 10 14.396 14.271 5.384 79 H MET 11 HN MET 11 18.100 11.483 4.039 80 HA MET 11 HA MET 11 19.468 13.313 5.725 81 1HB MET 11 2HB MET 11 21.466 11.966 5.129 82 2HB MET 11 3HB MET 11 20.070 10.942 5.542 83 1HG MET 11 2HG MET 11 19.763 10.236 3.378 84 2HG MET 11 3HG MET 11 20.387 11.741 2.681 85 1HE MET 11 1HE MET 11 23.894 11.150 1.797 86 2HE MET 11 2HE MET 11 22.326 11.936 1.495 87 3HE MET 11 3HE MET 11 23.237 12.308 2.978 88 H GLY 12 HN GLY 12 19.186 13.013 2.200 89 1HA GLY 12 1HA GLY 12 21.237 15.085 1.778 90 2HA GLY 12 2HA GLY 12 20.357 14.176 0.528 91 H ASN 13 HN ASN 13 17.737 14.563 1.059 92 HA ASN 13 HA ASN 13 17.076 16.983 -0.051 93 1HB ASN 13 2HB ASN 13 15.532 15.418 2.050 94 2HB ASN 13 3HB ASN 13 14.842 16.673 0.998 95 1HD2 ASN 13 1HD2 ASN 13 16.104 13.384 1.184 96 2HD2 ASN 13 2HD2 ASN 13 15.597 12.879 -0.414 97 H ARG 14 HN ARG 14 16.715 16.349 3.484 98 HA ARG 14 HA ARG 14 16.608 17.864 5.222 99 1HB ARG 14 2HB ARG 14 19.164 18.482 3.728 100 2HB ARG 14 3HB ARG 14 18.732 19.370 5.209 101 1HG ARG 14 2HG ARG 14 18.475 17.190 6.403 102 2HG ARG 14 3HG ARG 14 19.005 16.346 4.928 103 1HD ARG 14 2HD ARG 14 21.019 16.537 6.082 104 2HD ARG 14 3HD ARG 14 21.058 18.001 5.077 105 HE ARG 14 HE ARG 14 19.954 18.173 7.829 106 1HH1 ARG 14 2HH2 ARG 14 22.469 18.921 5.459 107 2HH1 ARG 14 1HH2 ARG 14 23.211 20.168 6.436 108 1HH2 ARG 14 2HH1 ARG 14 20.934 19.821 9.120 109 2HH2 ARG 14 1HH1 ARG 14 22.335 20.681 8.523 110 H ASP 15 HN ASP 15 15.311 18.649 2.557 111 HA ASP 15 HA ASP 15 14.992 21.514 3.266 112 1HB ASP 15 2HB ASP 15 16.519 20.822 1.147 113 2HB ASP 15 3HB ASP 15 14.918 20.783 0.376 114 H ILE 16 HN ILE 16 13.798 18.621 1.526 115 HA ILE 16 HA ILE 16 11.122 19.742 1.249 116 HB ILE 16 HB ILE 16 11.896 16.836 0.913 117 1HG1 ILE 16 2HG1 ILE 16 12.359 19.125 -1.048 118 2HG1 ILE 16 3HG1 ILE 16 13.629 18.201 -0.211 119 1HG2 ILE 16 1HG2 ILE 16 9.979 16.709 -0.343 120 2HG2 ILE 16 2HG2 ILE 16 9.511 18.109 0.650 121 3HG2 ILE 16 3HG2 ILE 16 10.167 18.358 -0.986 122 1HD1 ILE 16 1HD1 ILE 16 12.116 17.514 -2.612 123 2HD1 ILE 16 2HD1 ILE 16 13.572 16.744 -1.936 124 3HD1 ILE 16 3HD1 ILE 16 11.958 16.251 -1.367 125 H TYR 17 HN TYR 17 12.814 17.370 3.328 126 HA TYR 17 HA TYR 17 10.584 16.343 4.691 127 1HB TYR 17 2HB TYR 17 13.119 15.736 4.763 128 2HB TYR 17 3HB TYR 17 13.206 16.946 6.055 129 HD1 TYR 17 HD1 TYR 17 12.206 13.572 5.147 130 HD2 TYR 17 HD2 TYR 17 11.846 16.632 8.141 131 HE1 TYR 17 HE1 TYR 17 11.429 11.879 6.784 132 HE2 TYR 17 HE2 TYR 17 11.070 14.938 9.778 133 HH TYR 17 HH TYR 17 10.902 11.466 8.984 134 H LYS 18 HN LYS 18 12.199 19.464 4.917 135 HA LYS 18 HA LYS 18 10.841 20.136 7.431 136 1HB LYS 18 2HB LYS 18 12.696 21.647 5.558 137 2HB LYS 18 3HB LYS 18 11.979 22.363 7.021 138 1HG LYS 18 2HG LYS 18 13.559 21.387 8.296 139 2HG LYS 18 3HG LYS 18 13.078 19.783 7.691 140 1HD LYS 18 2HD LYS 18 14.748 19.728 6.111 141 2HD LYS 18 3HD LYS 18 14.693 21.487 5.839 142 1HE LYS 18 2HE LYS 18 15.527 21.255 8.492 143 2HE LYS 18 3HE LYS 18 16.369 19.921 7.674 144 1HZ LYS 18 1HZ LYS 18 17.509 21.344 6.387 145 2HZ LYS 18 2HZ LYS 18 16.358 22.525 6.411 146 3HZ LYS 18 3HZ LYS 18 17.338 22.301 7.719 147 H LYS 19 HN LYS 19 10.808 21.153 3.979 148 HA LYS 19 HA LYS 19 8.726 23.064 4.258 149 1HB LYS 19 2HB LYS 19 10.149 23.037 2.301 150 2HB LYS 19 3HB LYS 19 9.647 21.376 1.901 151 1HG LYS 19 2HG LYS 19 7.316 23.076 2.234 152 2HG LYS 19 3HG LYS 19 8.432 23.791 1.047 153 1HD LYS 19 2HD LYS 19 7.038 22.317 -0.211 154 2HD LYS 19 3HD LYS 19 8.572 21.441 0.004 155 1HE LYS 19 2HE LYS 19 6.792 19.895 0.502 156 2HE LYS 19 3HE LYS 19 7.552 20.341 2.044 157 1HZ LYS 19 1HZ LYS 19 4.918 20.874 1.087 158 2HZ LYS 19 2HZ LYS 19 5.483 20.762 2.632 159 3HZ LYS 19 3HZ LYS 19 5.652 22.172 1.793 160 H VAL 20 HN VAL 20 8.737 19.540 3.818 161 HA VAL 20 HA VAL 20 5.923 19.346 3.219 162 HB VAL 20 HB VAL 20 6.288 16.935 3.611 163 1HG1 VAL 20 1HG1 VAL 20 8.693 17.114 2.175 164 2HG1 VAL 20 2HG1 VAL 20 7.051 17.095 1.489 165 3HG1 VAL 20 3HG1 VAL 20 7.857 18.646 1.828 166 1HG2 VAL 20 1HG2 VAL 20 8.867 16.442 4.085 167 2HG2 VAL 20 2HG2 VAL 20 8.777 18.017 4.908 168 3HG2 VAL 20 3HG2 VAL 20 7.718 16.682 5.423 169 H VAL 21 HN VAL 21 7.733 18.156 6.106 170 HA VAL 21 HA VAL 21 5.659 17.684 7.809 171 HB VAL 21 HB VAL 21 8.045 17.349 8.359 172 1HG1 VAL 21 1HG1 VAL 21 9.433 19.232 9.055 173 2HG1 VAL 21 2HG1 VAL 21 8.810 19.552 7.419 174 3HG1 VAL 21 3HG1 VAL 21 8.077 20.361 8.824 175 1HG2 VAL 21 1HG2 VAL 21 6.501 17.298 10.214 176 2HG2 VAL 21 2HG2 VAL 21 7.918 18.240 10.738 177 3HG2 VAL 21 3HG2 VAL 21 6.418 19.075 10.267 178 H ARG 22 HN ARG 22 6.683 20.792 6.566 179 HA ARG 22 HA ARG 22 5.308 22.355 8.589 180 1HB ARG 22 2HB ARG 22 7.289 23.150 7.265 181 2HB ARG 22 3HB ARG 22 6.258 23.162 5.814 182 1HG ARG 22 2HG ARG 22 6.109 25.383 6.590 183 2HG ARG 22 3HG ARG 22 4.645 24.625 7.260 184 1HD ARG 22 2HD ARG 22 5.348 24.945 9.379 185 2HD ARG 22 3HD ARG 22 6.944 24.251 9.021 186 HE ARG 22 HE ARG 22 6.439 27.012 8.102 187 1HH1 ARG 22 2HH2 ARG 22 7.872 24.803 10.462 188 2HH1 ARG 22 1HH2 ARG 22 8.987 25.990 11.101 189 1HH2 ARG 22 2HH1 ARG 22 7.912 28.580 8.946 190 2HH2 ARG 22 1HH1 ARG 22 9.010 28.144 10.236 191 H VAL 23 HN VAL 23 4.674 21.347 5.197 192 HA VAL 23 HA VAL 23 2.161 22.691 4.995 193 HB VAL 23 HB VAL 23 3.664 21.765 3.128 194 1HG1 VAL 23 1HG1 VAL 23 4.005 19.540 3.042 195 2HG1 VAL 23 2HG1 VAL 23 3.022 19.342 4.513 196 3HG1 VAL 23 3HG1 VAL 23 2.252 19.267 2.910 197 1HG2 VAL 23 1HG2 VAL 23 1.859 22.101 1.806 198 2HG2 VAL 23 2HG2 VAL 23 1.025 20.676 2.470 199 3HG2 VAL 23 3HG2 VAL 23 0.907 22.244 3.304 200 H CYS 24 HN CYS 24 3.201 19.684 6.468 201 HA CYS 24 HA CYS 24 0.638 18.391 6.489 202 1HB CYS 24 2HB CYS 24 3.070 18.086 8.281 203 2HB CYS 24 3HB CYS 24 1.689 16.978 8.238 204 H GLU 25 HN GLU 25 2.489 20.186 9.019 205 HA GLU 25 HA GLU 25 0.612 20.112 11.056 206 1HB GLU 25 2HB GLU 25 2.452 22.385 10.216 207 2HB GLU 25 3HB GLU 25 1.622 22.279 11.787 208 1HG GLU 25 2HG GLU 25 3.210 19.903 10.874 209 2HG GLU 25 3HG GLU 25 4.105 21.333 11.434 210 H ASP 26 HN ASP 26 0.872 22.574 8.434 211 HA ASP 26 HA ASP 26 -1.257 24.202 9.121 212 1HB ASP 26 2HB ASP 26 0.161 23.442 6.638 213 2HB ASP 26 3HB ASP 26 -1.481 24.074 6.389 214 H CYS 27 HN CYS 27 -1.544 21.586 6.650 215 HA CYS 27 HA CYS 27 -4.295 21.512 6.473 216 1HB CYS 27 2HB CYS 27 -4.023 19.493 5.401 217 2HB CYS 27 3HB CYS 27 -2.383 20.152 5.294 218 H THR 28 HN THR 28 -2.224 19.713 8.808 219 HA THR 28 HA THR 28 -4.176 18.261 10.134 220 HB THR 28 HB THR 28 -1.839 19.726 11.419 221 HG1 THR 28 HG1 THR 28 -1.729 17.076 10.560 222 1HG2 THR 28 1HG2 THR 28 -3.009 17.029 12.158 223 2HG2 THR 28 2HG2 THR 28 -1.977 18.101 13.135 224 3HG2 THR 28 3HG2 THR 28 -3.675 18.538 12.829 225 H ASN 29 HN ASN 29 -3.623 21.726 10.131 226 HA ASN 29 HA ASN 29 -5.240 22.198 12.513 227 1HB ASN 29 2HB ASN 29 -4.342 24.174 10.390 228 2HB ASN 29 3HB ASN 29 -4.823 24.522 12.065 229 1HD2 ASN 29 1HD2 ASN 29 -2.203 24.605 10.224 230 2HD2 ASN 29 2HD2 ASN 29 -0.972 24.034 11.329 231 H ILE 30 HN ILE 30 -5.614 22.310 8.966 232 HA ILE 30 HA ILE 30 -8.090 23.600 8.795 233 HB ILE 30 HB ILE 30 -6.672 21.496 7.168 234 1HG1 ILE 30 2HG1 ILE 30 -6.737 23.339 5.496 235 2HG1 ILE 30 3HG1 ILE 30 -7.636 24.343 6.659 236 1HG2 ILE 30 1HG2 ILE 30 -8.693 20.742 6.444 237 2HG2 ILE 30 2HG2 ILE 30 -9.564 22.115 7.167 238 3HG2 ILE 30 3HG2 ILE 30 -8.785 22.293 5.577 239 1HD1 ILE 30 1HD1 ILE 30 -5.226 23.173 7.848 240 2HD1 ILE 30 2HD1 ILE 30 -4.850 24.172 6.424 241 3HD1 ILE 30 3HD1 ILE 30 -5.750 24.873 7.791 242 H PHE 31 HN PHE 31 -7.426 20.066 9.119 243 HA PHE 31 HA PHE 31 -10.278 19.603 9.675 244 1HB PHE 31 2HB PHE 31 -8.114 17.518 9.803 245 2HB PHE 31 3HB PHE 31 -9.813 17.345 9.331 246 HD1 PHE 31 HD1 PHE 31 -10.556 17.865 7.077 247 HD2 PHE 31 HD2 PHE 31 -6.446 18.365 8.224 248 HE1 PHE 31 HE1 PHE 31 -9.912 18.054 4.690 249 HE2 PHE 31 HE2 PHE 31 -5.803 18.555 5.837 250 HZ PHE 31 HZ PHE 31 -7.536 18.399 4.069 251 H ARG 32 HN ARG 32 -7.303 20.179 11.347 252 HA ARG 32 HA ARG 32 -6.903 20.399 13.599 253 1HB ARG 32 2HB ARG 32 -9.768 20.432 13.410 254 2HB ARG 32 3HB ARG 32 -9.306 19.443 14.817 255 1HG ARG 32 2HG ARG 32 -7.779 21.977 14.439 256 2HG ARG 32 3HG ARG 32 -9.490 22.157 14.896 257 1HD ARG 32 2HD ARG 32 -8.355 20.037 16.465 258 2HD ARG 32 3HD ARG 32 -7.266 21.438 16.559 259 HE ARG 32 HE ARG 32 -10.113 21.352 17.414 260 1HH1 ARG 32 2HH2 ARG 32 -7.004 23.017 17.167 261 2HH1 ARG 32 1HH2 ARG 32 -7.422 24.260 18.324 262 1HH2 ARG 32 2HH1 ARG 32 -10.666 22.995 18.943 263 2HH2 ARG 32 1HH1 ARG 32 -9.511 24.248 19.336 264 H LEU 33 HN LEU 33 -8.516 17.522 12.333 265 HA LEU 33 HA LEU 33 -8.207 15.641 14.293 266 1HB LEU 33 2HB LEU 33 -7.705 15.521 11.310 267 2HB LEU 33 3HB LEU 33 -7.560 14.074 12.336 268 HG LEU 33 HG LEU 33 -9.911 14.795 13.248 269 1HD1 LEU 33 1HD1 LEU 33 -9.401 16.775 11.199 270 2HD1 LEU 33 2HD1 LEU 33 -10.813 15.793 10.740 271 3HD1 LEU 33 3HD1 LEU 33 -10.791 16.642 12.304 272 1HD2 LEU 33 1HD2 LEU 33 -9.411 13.655 10.469 273 2HD2 LEU 33 2HD2 LEU 33 -9.608 12.753 11.991 274 3HD2 LEU 33 3HD2 LEU 33 -10.995 13.612 11.280 275 HA PRO 34 HA PRO 34 -3.879 15.841 15.272 276 1HB PRO 34 2HB PRO 34 -3.870 13.915 17.200 277 2HB PRO 34 3HB PRO 34 -4.678 15.498 17.448 278 1HG PRO 34 2HG PRO 34 -5.957 12.904 16.537 279 2HG PRO 34 3HG PRO 34 -6.483 13.962 17.887 280 1HD PRO 34 2HD PRO 34 -7.607 14.152 15.410 281 2HD PRO 34 3HD PRO 34 -7.263 15.625 16.366 282 H GLY 35 HN GLY 35 -5.713 12.928 14.369 283 1HA GLY 35 1HA GLY 35 -3.253 11.448 13.733 284 2HA GLY 35 2HA GLY 35 -4.927 10.863 13.590 285 H LEU 36 HN LEU 36 -3.048 13.642 12.245 286 HA LEU 36 HA LEU 36 -3.698 12.661 9.525 287 1HB LEU 36 2HB LEU 36 -5.374 14.424 10.403 288 2HB LEU 36 3HB LEU 36 -4.022 15.575 10.282 289 HG LEU 36 HG LEU 36 -3.723 14.684 7.870 290 1HD1 LEU 36 1HD1 LEU 36 -6.223 14.012 7.112 291 2HD1 LEU 36 2HD1 LEU 36 -5.020 12.797 7.608 292 3HD1 LEU 36 3HD1 LEU 36 -6.253 13.353 8.765 293 1HD2 LEU 36 1HD2 LEU 36 -4.530 16.884 8.050 294 2HD2 LEU 36 2HD2 LEU 36 -5.828 16.074 7.141 295 3HD2 LEU 36 3HD2 LEU 36 -6.016 16.374 8.886 296 H ASP 37 HN ASP 37 -2.014 15.198 11.458 297 HA ASP 37 HA ASP 37 -0.136 16.069 9.664 298 1HB ASP 37 2HB ASP 37 1.414 15.931 11.854 299 2HB ASP 37 3HB ASP 37 0.095 17.111 11.689 300 H GLY 38 HN GLY 38 0.336 13.234 11.859 301 1HA GLY 38 1HA GLY 38 2.769 12.329 10.962 302 2HA GLY 38 2HA GLY 38 1.448 11.249 11.460 303 H MET 39 HN MET 39 -0.321 10.955 9.702 304 HA MET 39 HA MET 39 0.601 9.533 7.577 305 1HB MET 39 2HB MET 39 -1.850 11.274 7.898 306 2HB MET 39 3HB MET 39 -1.565 10.366 6.394 307 1HG MET 39 2HG MET 39 -1.197 8.315 7.876 308 2HG MET 39 3HG MET 39 -1.846 9.281 9.212 309 1HE MET 39 1HE MET 39 -3.635 11.080 7.592 310 2HE MET 39 2HE MET 39 -5.195 10.355 7.134 311 3HE MET 39 3HE MET 39 -4.707 10.410 8.845 312 H CYS 40 HN CYS 40 -0.322 13.018 7.340 313 HA CYS 40 HA CYS 40 0.390 13.574 4.769 314 1HB CYS 40 2HB CYS 40 -0.498 15.212 6.363 315 2HB CYS 40 3HB CYS 40 1.043 15.217 7.236 316 H ARG 41 HN ARG 41 2.591 13.009 7.514 317 HA ARG 41 HA ARG 41 4.816 12.830 5.552 318 1HB ARG 41 2HB ARG 41 6.201 13.803 7.572 319 2HB ARG 41 3HB ARG 41 5.327 14.904 6.481 320 1HG ARG 41 2HG ARG 41 4.758 15.620 8.687 321 2HG ARG 41 3HG ARG 41 3.348 14.697 8.115 322 1HD ARG 41 2HD ARG 41 3.858 13.978 10.374 323 2HD ARG 41 3HD ARG 41 4.294 12.666 9.258 324 HE ARG 41 HE ARG 41 6.668 13.762 9.436 325 1HH1 ARG 41 2HH2 ARG 41 4.238 13.494 11.991 326 2HH1 ARG 41 1HH2 ARG 41 5.409 13.446 13.289 327 1HH2 ARG 41 2HH1 ARG 41 8.215 13.699 11.151 328 2HH2 ARG 41 1HH1 ARG 41 7.677 13.563 12.810 329 H ASN 42 HN ASN 42 3.307 10.657 6.428 330 HA ASN 42 HA ASN 42 4.751 9.463 8.696 331 1HB ASN 42 2HB ASN 42 2.270 9.234 8.389 332 2HB ASN 42 3HB ASN 42 2.583 8.298 6.912 333 1HD2 ASN 42 1HD2 ASN 42 2.548 6.142 7.169 334 2HD2 ASN 42 2HD2 ASN 42 2.962 5.283 8.636 335 H ARG 43 HN ARG 43 3.712 7.484 6.002 336 HA ARG 43 HA ARG 43 6.200 6.138 5.818 337 1HB ARG 43 2HB ARG 43 5.108 5.460 3.503 338 2HB ARG 43 3HB ARG 43 4.405 4.891 5.036 339 1HG ARG 43 2HG ARG 43 3.462 7.555 4.091 340 2HG ARG 43 3HG ARG 43 2.965 6.163 3.099 341 1HD ARG 43 2HD ARG 43 2.313 5.048 5.346 342 2HD ARG 43 3HD ARG 43 2.433 6.680 6.038 343 HE ARG 43 HE ARG 43 0.814 7.110 3.903 344 1HH1 ARG 43 2HH2 ARG 43 0.813 4.669 6.462 345 2HH1 ARG 43 1HH2 ARG 43 -0.924 4.465 6.456 346 1HH2 ARG 43 2HH1 ARG 43 -1.481 6.840 3.895 347 2HH2 ARG 43 1HH1 ARG 43 -2.232 5.703 4.992 348 H CYS 44 HN CYS 44 7.623 8.091 5.734 349 HA CYS 44 HA CYS 44 8.847 9.686 4.604 350 1HB CYS 44 2HB CYS 44 9.495 7.305 3.745 351 2HB CYS 44 3HB CYS 44 8.693 7.813 2.250 352 H PHE 45 HN PHE 45 6.238 10.481 4.585 353 HA PHE 45 HA PHE 45 4.632 11.637 3.406 354 1HB PHE 45 2HB PHE 45 6.820 12.636 1.612 355 2HB PHE 45 3HB PHE 45 5.489 13.524 2.374 356 HD1 PHE 45 HD1 PHE 45 5.655 14.312 4.677 357 HD2 PHE 45 HD2 PHE 45 8.883 12.169 2.822 358 HE1 PHE 45 HE1 PHE 45 7.181 15.043 6.490 359 HE2 PHE 45 HE2 PHE 45 10.409 12.900 4.635 360 HZ PHE 45 HZ PHE 45 9.559 14.337 6.469 361 H TYR 46 HN TYR 46 5.379 8.908 2.392 362 HA TYR 46 HA TYR 46 4.650 9.294 -0.471 363 1HB TYR 46 2HB TYR 46 6.830 8.139 0.105 364 2HB TYR 46 3HB TYR 46 5.867 6.849 0.847 365 HD1 TYR 46 HD1 TYR 46 5.140 5.051 -0.448 366 HD2 TYR 46 HD2 TYR 46 6.286 8.711 -2.382 367 HE1 TYR 46 HE1 TYR 46 4.903 3.956 -2.660 368 HE2 TYR 46 HE2 TYR 46 6.049 7.616 -4.594 369 HH TYR 46 HH TYR 46 5.949 4.391 -5.117 370 H ASN 47 HN ASN 47 2.398 9.552 0.032 371 HA ASN 47 HA ASN 47 0.932 7.120 -0.032 372 1HB ASN 47 2HB ASN 47 1.793 7.482 2.483 373 2HB ASN 47 3HB ASN 47 0.357 8.527 2.544 374 1HD2 ASN 47 1HD2 ASN 47 -1.734 7.560 1.805 375 2HD2 ASN 47 2HD2 ASN 47 -2.013 5.861 2.118 376 H GLU 48 HN GLU 48 1.256 9.875 -1.205 377 HA GLU 48 HA GLU 48 -0.103 11.465 -2.131 378 1HB GLU 48 2HB GLU 48 -2.116 10.709 -2.893 379 2HB GLU 48 3HB GLU 48 -1.519 9.151 -2.273 380 1HG GLU 48 2HG GLU 48 -3.321 9.098 -0.922 381 2HG GLU 48 3HG GLU 48 -2.601 10.454 -0.028 382 H TRP 49 HN TRP 49 -0.473 10.465 1.161 383 HA TRP 49 HA TRP 49 -2.369 12.191 2.202 384 1HB TRP 49 2HB TRP 49 0.266 11.146 3.207 385 2HB TRP 49 3HB TRP 49 -0.655 12.298 4.183 386 HD1 TRP 49 HD1 TRP 49 -0.025 8.962 4.460 387 HE1 TRP 49 HE1 TRP 49 -1.970 7.512 5.234 388 HE3 TRP 49 HE3 TRP 49 -3.884 12.153 3.398 389 HZ2 TRP 49 HZ2 TRP 49 -4.855 7.703 5.379 390 HZ3 TRP 49 HZ3 TRP 49 -6.212 11.485 3.867 391 HH2 TRP 49 HH2 TRP 49 -6.714 9.269 4.854 392 H PHE 50 HN PHE 50 0.437 13.023 0.446 393 HA PHE 50 HA PHE 50 0.902 15.590 1.733 394 1HB PHE 50 2HB PHE 50 2.438 13.969 0.241 395 2HB PHE 50 3HB PHE 50 1.816 15.011 -1.049 396 HD1 PHE 50 HD1 PHE 50 2.601 15.953 2.481 397 HD2 PHE 50 HD2 PHE 50 3.707 16.273 -1.657 398 HE1 PHE 50 HE1 PHE 50 4.283 17.680 3.064 399 HE2 PHE 50 HE2 PHE 50 5.388 18.000 -1.075 400 HZ PHE 50 HZ PHE 50 5.676 18.704 1.286 401 H LEU 51 HN LEU 51 -1.121 14.288 -0.828 402 HA LEU 51 HA LEU 51 -1.685 16.902 -1.992 403 1HB LEU 51 2HB LEU 51 -1.683 14.801 -3.327 404 2HB LEU 51 3HB LEU 51 -3.061 14.212 -2.366 405 HG LEU 51 HG LEU 51 -3.695 16.861 -3.242 406 1HD1 LEU 51 1HD1 LEU 51 -3.230 16.944 -5.498 407 2HD1 LEU 51 2HD1 LEU 51 -1.825 15.984 -4.976 408 3HD1 LEU 51 3HD1 LEU 51 -3.247 15.173 -5.674 409 1HD2 LEU 51 1HD2 LEU 51 -4.655 14.078 -4.018 410 2HD2 LEU 51 2HD2 LEU 51 -5.354 15.157 -2.787 411 3HD2 LEU 51 3HD2 LEU 51 -5.473 15.579 -4.513 412 H ILE 52 HN ILE 52 -3.056 14.717 0.431 413 HA ILE 52 HA ILE 52 -5.645 15.896 0.583 414 HB ILE 52 HB ILE 52 -4.001 14.499 2.731 415 1HG1 ILE 52 2HG1 ILE 52 -5.470 12.533 1.961 416 2HG1 ILE 52 3HG1 ILE 52 -5.837 13.511 0.520 417 1HG2 ILE 52 1HG2 ILE 52 -7.020 14.737 2.435 418 2HG2 ILE 52 2HG2 ILE 52 -6.108 14.093 3.822 419 3HG2 ILE 52 3HG2 ILE 52 -6.052 15.833 3.450 420 1HD1 ILE 52 1HD1 ILE 52 -3.608 11.841 0.881 421 2HD1 ILE 52 2HD1 ILE 52 -3.819 13.063 -0.397 422 3HD1 ILE 52 3HD1 ILE 52 -2.970 13.487 1.109 423 H CYS 53 HN CYS 53 -2.540 16.578 2.240 424 HA CYS 53 HA CYS 53 -3.679 18.644 3.913 425 1HB CYS 53 2HB CYS 53 -0.880 17.757 3.193 426 2HB CYS 53 3HB CYS 53 -1.176 19.182 4.202 427 H LEU 54 HN LEU 54 -1.527 18.641 1.015 428 HA LEU 54 HA LEU 54 -1.319 21.405 0.684 429 1HB LEU 54 2HB LEU 54 -1.065 18.986 -1.016 430 2HB LEU 54 3HB LEU 54 -1.376 20.503 -1.894 431 HG LEU 54 HG LEU 54 0.495 21.351 -0.097 432 1HD1 LEU 54 1HD1 LEU 54 2.248 19.655 0.079 433 2HD1 LEU 54 2HD1 LEU 54 0.741 19.014 0.776 434 3HD1 LEU 54 3HD1 LEU 54 1.262 18.498 -0.846 435 1HD2 LEU 54 1HD2 LEU 54 1.223 19.951 -2.698 436 2HD2 LEU 54 2HD2 LEU 54 0.400 21.528 -2.645 437 3HD2 LEU 54 3HD2 LEU 54 2.028 21.350 -1.948 438 H LYS 55 HN LYS 55 -4.079 19.328 0.310 439 HA LYS 55 HA LYS 55 -5.519 21.086 -1.502 440 1HB LYS 55 2HB LYS 55 -5.938 18.504 -0.121 441 2HB LYS 55 3HB LYS 55 -7.409 19.491 -0.301 442 1HG LYS 55 2HG LYS 55 -7.437 19.256 -2.570 443 2HG LYS 55 3HG LYS 55 -5.668 19.402 -2.703 444 1HD LYS 55 2HD LYS 55 -5.590 17.168 -3.018 445 2HD LYS 55 3HD LYS 55 -6.112 16.977 -1.328 446 1HE LYS 55 2HE LYS 55 -8.189 16.330 -1.940 447 2HE LYS 55 3HE LYS 55 -8.337 17.656 -3.115 448 1HZ LYS 55 1HZ LYS 55 -8.196 15.154 -3.813 449 2HZ LYS 55 2HZ LYS 55 -7.596 16.367 -4.756 450 3HZ LYS 55 3HZ LYS 55 -6.580 15.480 -3.805 451 H ALA 56 HN ALA 56 -5.676 20.290 2.008 452 HA ALA 56 HA ALA 56 -7.770 22.053 2.668 453 1HB ALA 56 1HB ALA 56 -6.015 20.303 4.001 454 2HB ALA 56 2HB ALA 56 -5.735 21.896 4.744 455 3HB ALA 56 3HB ALA 56 -7.375 21.204 4.713 456 H ALA 57 HN ALA 57 -4.732 22.773 1.379 457 HA ALA 57 HA ALA 57 -4.815 25.515 2.548 458 1HB ALA 57 1HB ALA 57 -2.453 25.621 2.325 459 2HB ALA 57 2HB ALA 57 -2.781 24.009 3.007 460 3HB ALA 57 3HB ALA 57 -2.407 24.184 1.275 461 H ASN 58 HN ASN 58 -5.739 23.777 -0.087 462 HA ASN 58 HA ASN 58 -6.452 24.508 -2.153 463 1HB ASN 58 2HB ASN 58 -6.874 26.706 -2.342 464 2HB ASN 58 3HB ASN 58 -6.111 26.895 -0.748 465 1HD2 ASN 58 1HD2 ASN 58 -5.192 26.538 -4.225 466 2HD2 ASN 58 2HD2 ASN 58 -3.894 27.711 -4.176 467 H ARG 59 HN ARG 59 -3.202 24.621 -0.997 468 HA ARG 59 HA ARG 59 -1.817 25.141 -3.424 469 1HB ARG 59 2HB ARG 59 -1.143 23.645 -0.876 470 2HB ARG 59 3HB ARG 59 0.014 23.778 -2.222 471 1HG ARG 59 2HG ARG 59 0.596 25.811 -1.439 472 2HG ARG 59 3HG ARG 59 -1.041 26.382 -1.844 473 1HD ARG 59 2HD ARG 59 -1.856 25.663 0.363 474 2HD ARG 59 3HD ARG 59 -0.245 25.033 0.769 475 HE ARG 59 HE ARG 59 0.359 27.166 1.374 476 1HH1 ARG 59 2HH2 ARG 59 -2.288 27.309 -0.965 477 2HH1 ARG 59 1HH2 ARG 59 -2.428 29.052 -0.906 478 1HH2 ARG 59 2HH1 ARG 59 0.174 29.468 1.452 479 2HH2 ARG 59 1HH1 ARG 59 -1.025 30.283 0.472 480 H GLU 60 HN GLU 60 -4.169 23.166 -3.471 481 HA GLU 60 HA GLU 60 -3.097 20.578 -4.047 482 1HB GLU 60 2HB GLU 60 -5.490 21.136 -3.467 483 2HB GLU 60 3HB GLU 60 -5.662 21.826 -5.098 484 1HG GLU 60 2HG GLU 60 -5.132 19.692 -6.123 485 2HG GLU 60 3HG GLU 60 -4.728 18.983 -4.544 486 H ASP 61 HN ASP 61 -1.344 22.246 -5.302 487 HA ASP 61 HA ASP 61 -1.732 21.458 -8.108 488 1HB ASP 61 2HB ASP 61 -1.840 24.255 -7.093 489 2HB ASP 61 3HB ASP 61 -0.819 23.978 -8.521 490 H GLU 62 HN GLU 62 0.189 22.443 -5.361 491 HA GLU 62 HA GLU 62 2.701 22.277 -6.889 492 1HB GLU 62 2HB GLU 62 2.434 22.579 -3.891 493 2HB GLU 62 3HB GLU 62 3.731 23.156 -4.964 494 1HG GLU 62 2HG GLU 62 1.930 24.618 -6.081 495 2HG GLU 62 3HG GLU 62 0.905 24.227 -4.682 496 H ILE 63 HN ILE 63 0.686 19.979 -6.245 497 HA ILE 63 HA ILE 63 2.180 18.200 -4.518 498 HB ILE 63 HB ILE 63 0.200 17.154 -6.499 499 1HG1 ILE 63 2HG1 ILE 63 -0.568 19.496 -5.793 500 2HG1 ILE 63 3HG1 ILE 63 -1.687 18.163 -5.417 501 1HG2 ILE 63 1HG2 ILE 63 -0.476 16.611 -3.802 502 2HG2 ILE 63 2HG2 ILE 63 0.313 15.511 -4.958 503 3HG2 ILE 63 3HG2 ILE 63 1.301 16.529 -3.883 504 1HD1 ILE 63 1HD1 ILE 63 -0.532 20.041 -3.607 505 2HD1 ILE 63 2HD1 ILE 63 -1.570 18.648 -3.220 506 3HD1 ILE 63 3HD1 ILE 63 0.199 18.458 -3.250 507 H GLU 64 HN GLU 64 1.733 18.596 -8.060 508 HA GLU 64 HA GLU 64 3.060 16.370 -9.005 509 1HB GLU 64 2HB GLU 64 3.741 17.848 -10.927 510 2HB GLU 64 3HB GLU 64 2.018 17.965 -10.495 511 1HG GLU 64 2HG GLU 64 2.612 19.962 -9.053 512 2HG GLU 64 3HG GLU 64 4.248 19.895 -9.745 513 H LYS 65 HN LYS 65 4.609 19.547 -8.260 514 HA LYS 65 HA LYS 65 7.266 18.558 -8.580 515 1HB LYS 65 2HB LYS 65 7.713 20.682 -7.082 516 2HB LYS 65 3HB LYS 65 7.096 20.874 -8.740 517 1HG LYS 65 2HG LYS 65 5.230 21.868 -7.961 518 2HG LYS 65 3HG LYS 65 4.872 20.448 -6.948 519 1HD LYS 65 2HD LYS 65 5.363 21.678 -5.124 520 2HD LYS 65 3HD LYS 65 7.041 21.808 -5.703 521 1HE LYS 65 2HE LYS 65 5.348 23.606 -7.211 522 2HE LYS 65 3HE LYS 65 5.109 23.884 -5.472 523 1HZ LYS 65 1HZ LYS 65 7.013 25.023 -6.758 524 2HZ LYS 65 2HZ LYS 65 7.244 24.496 -5.213 525 3HZ LYS 65 3HZ LYS 65 7.811 23.606 -6.481 526 H PHE 66 HN PHE 66 5.099 18.926 -5.754 527 HA PHE 66 HA PHE 66 7.003 18.245 -3.768 528 1HB PHE 66 2HB PHE 66 4.006 18.152 -4.004 529 2HB PHE 66 3HB PHE 66 4.798 17.427 -2.595 530 HD1 PHE 66 HD1 PHE 66 6.555 20.235 -4.030 531 HD2 PHE 66 HD2 PHE 66 3.438 19.133 -1.287 532 HE1 PHE 66 HE1 PHE 66 6.705 22.469 -2.962 533 HE2 PHE 66 HE2 PHE 66 3.588 21.367 -0.219 534 HZ PHE 66 HZ PHE 66 5.221 23.034 -1.057 535 H ARG 67 HN ARG 67 5.129 16.311 -6.052 536 HA ARG 67 HA ARG 67 5.375 13.797 -4.747 537 1HB ARG 67 2HB ARG 67 4.488 14.857 -7.302 538 2HB ARG 67 3HB ARG 67 5.423 13.361 -7.534 539 1HG ARG 67 2HG ARG 67 4.018 12.214 -5.855 540 2HG ARG 67 3HG ARG 67 3.088 13.712 -5.605 541 1HD ARG 67 2HD ARG 67 2.236 13.664 -7.845 542 2HD ARG 67 3HD ARG 67 3.382 12.395 -8.327 543 HE ARG 67 HE ARG 67 2.136 10.843 -6.855 544 1HH1 ARG 67 2HH2 ARG 67 0.625 13.894 -7.809 545 2HH1 ARG 67 1HH2 ARG 67 -1.009 13.320 -7.561 546 1HH2 ARG 67 2HH1 ARG 67 -0.023 10.085 -6.527 547 2HH2 ARG 67 1HH1 ARG 67 -1.378 11.149 -6.831 548 H VAL 68 HN VAL 68 7.307 15.222 -7.447 549 HA VAL 68 HA VAL 68 9.241 13.190 -7.571 550 HB VAL 68 HB VAL 68 8.803 15.223 -9.122 551 1HG1 VAL 68 1HG1 VAL 68 11.035 16.696 -7.998 552 2HG1 VAL 68 2HG1 VAL 68 9.397 17.271 -8.388 553 3HG1 VAL 68 3HG1 VAL 68 9.733 16.556 -6.793 554 1HG2 VAL 68 1HG2 VAL 68 11.495 14.089 -8.331 555 2HG2 VAL 68 2HG2 VAL 68 10.516 13.747 -9.778 556 3HG2 VAL 68 3HG2 VAL 68 11.372 15.301 -9.629 557 H TRP 69 HN TRP 69 8.808 15.847 -5.292 558 HA TRP 69 HA TRP 69 11.470 15.795 -4.219 559 1HB TRP 69 2HB TRP 69 8.797 16.743 -3.157 560 2HB TRP 69 3HB TRP 69 10.314 16.933 -2.266 561 HD1 TRP 69 HD1 TRP 69 11.316 17.445 -5.659 562 HE1 TRP 69 HE1 TRP 69 11.374 19.899 -6.340 563 HE3 TRP 69 HE3 TRP 69 8.564 19.414 -1.819 564 HZ2 TRP 69 HZ2 TRP 69 10.355 22.418 -5.345 565 HZ3 TRP 69 HZ3 TRP 69 8.130 21.841 -1.720 566 HH2 TRP 69 HH2 TRP 69 9.016 23.353 -3.470 567 H ILE 70 HN ILE 70 8.344 14.369 -3.127 568 HA ILE 70 HA ILE 70 9.326 13.061 -0.844 569 HB ILE 70 HB ILE 70 7.100 12.296 -2.772 570 1HG1 ILE 70 2HG1 ILE 70 6.546 14.391 -1.850 571 2HG1 ILE 70 3HG1 ILE 70 5.781 13.247 -0.721 572 1HG2 ILE 70 1HG2 ILE 70 7.974 10.415 -1.301 573 2HG2 ILE 70 2HG2 ILE 70 7.519 11.403 0.108 574 3HG2 ILE 70 3HG2 ILE 70 6.268 10.846 -1.030 575 1HD1 ILE 70 1HD1 ILE 70 6.906 14.624 0.778 576 2HD1 ILE 70 2HD1 ILE 70 8.147 13.381 0.492 577 3HD1 ILE 70 3HD1 ILE 70 8.240 14.944 -0.355 578 H SER 71 HN SER 71 9.744 12.358 -4.249 579 HA SER 71 HA SER 71 10.488 9.577 -3.842 580 1HB SER 71 2HB SER 71 9.928 11.353 -6.040 581 2HB SER 71 3HB SER 71 11.514 10.589 -6.299 582 HG SER 71 HG SER 71 9.170 9.179 -5.550 583 H ILE 72 HN ILE 72 12.112 12.731 -4.081 584 HA ILE 72 HA ILE 72 14.763 11.798 -4.406 585 HB ILE 72 HB ILE 72 13.684 14.269 -2.992 586 1HG1 ILE 72 2HG1 ILE 72 14.928 14.215 -5.733 587 2HG1 ILE 72 3HG1 ILE 72 13.243 13.673 -5.550 588 1HG2 ILE 72 1HG2 ILE 72 16.452 13.730 -4.147 589 2HG2 ILE 72 2HG2 ILE 72 15.916 15.190 -3.281 590 3HG2 ILE 72 3HG2 ILE 72 16.059 13.643 -2.413 591 1HD1 ILE 72 1HD1 ILE 72 12.700 15.872 -5.683 592 2HD1 ILE 72 2HD1 ILE 72 13.313 15.987 -4.016 593 3HD1 ILE 72 3HD1 ILE 72 14.376 16.389 -5.385 594 H LEU 73 HN LEU 73 12.677 12.152 -1.542 595 HA LEU 73 HA LEU 73 14.771 11.705 0.376 596 1HB LEU 73 2HB LEU 73 11.843 11.068 0.795 597 2HB LEU 73 3HB LEU 73 13.033 11.682 1.967 598 HG LEU 73 HG LEU 73 12.497 13.348 -0.468 599 1HD1 LEU 73 1HD1 LEU 73 10.271 12.444 0.610 600 2HD1 LEU 73 2HD1 LEU 73 10.670 13.571 1.929 601 3HD1 LEU 73 3HD1 LEU 73 10.435 14.185 0.274 602 1HD2 LEU 73 1HD2 LEU 73 12.577 14.337 2.365 603 2HD2 LEU 73 2HD2 LEU 73 14.082 13.691 1.668 604 3HD2 LEU 73 3HD2 LEU 73 13.256 15.062 0.888 605 H ASN 74 HN ASN 74 13.442 9.707 -1.974 606 HA ASN 74 HA ASN 74 13.824 7.266 -0.316 607 1HB ASN 74 2HB ASN 74 12.242 7.922 -2.795 608 2HB ASN 74 3HB ASN 74 12.745 6.246 -2.483 609 1HD2 ASN 74 1HD2 ASN 74 10.219 8.331 -2.120 610 2HD2 ASN 74 2HD2 ASN 74 9.465 7.662 -0.689 611 H ALA 75 HN ALA 75 15.893 9.126 -1.626 612 HA ALA 75 HA ALA 75 17.076 8.082 -3.882 613 1HB ALA 75 1HB ALA 75 18.560 9.651 -3.276 614 2HB ALA 75 2HB ALA 75 17.845 9.717 -1.647 615 3HB ALA 75 3HB ALA 75 19.164 8.573 -1.995 616 H GLY 76 HN GLY 76 16.524 6.476 -0.884 617 1HA GLY 76 1HA GLY 76 18.240 4.225 -1.818 618 2HA GLY 76 2HA GLY 76 18.230 4.735 -0.115 619 H GLN 77 HN GLN 77 15.366 4.791 -2.209 620 HA GLN 77 HA GLN 77 14.303 2.432 -0.736 621 1HB GLN 77 2HB GLN 77 13.468 5.157 -0.510 622 2HB GLN 77 3HB GLN 77 12.194 4.269 -1.379 623 1HG GLN 77 2HG GLN 77 11.605 3.886 0.850 624 2HG GLN 77 3HG GLN 77 12.577 2.447 0.475 625 1HE2 GLN 77 1HE2 GLN 77 13.364 5.869 1.332 626 2HE2 GLN 77 2HE2 GLN 77 14.433 5.468 2.659 Start of MODEL 8 1 1H ALA 0 1HN ALA -1 1.352 -0.828 0.478 2 2H ALA 0 2HN ALA -1 0.000 0.000 0.000 3 3H ALA 0 3HN ALA -1 1.352 0.000 -0.956 4 HA ALA 0 HA ALA -1 1.162 2.067 0.140 5 1HB ALA 0 1HB ALA -1 0.494 0.252 2.342 6 2HB ALA 0 2HB ALA -1 1.718 1.459 2.805 7 3HB ALA 0 3HB ALA -1 0.148 1.987 2.153 8 H SER 1 HN SER 1 3.064 3.176 1.076 9 HA SER 1 HA SER 1 5.500 1.832 0.224 10 1HB SER 1 2HB SER 1 4.870 4.571 1.376 11 2HB SER 1 3HB SER 1 6.521 4.043 0.972 12 HG SER 1 HG SER 1 5.382 3.442 -1.140 13 H PHE 2 HN PHE 2 3.974 0.744 2.560 14 HA PHE 2 HA PHE 2 4.430 -0.137 4.622 15 1HB PHE 2 2HB PHE 2 7.199 0.407 3.548 16 2HB PHE 2 3HB PHE 2 6.960 -0.275 5.166 17 HD1 PHE 2 HD1 PHE 2 6.942 -2.579 5.386 18 HD2 PHE 2 HD2 PHE 2 5.821 -0.833 1.625 19 HE1 PHE 2 HE1 PHE 2 6.732 -4.844 4.397 20 HE2 PHE 2 HE2 PHE 2 5.610 -3.098 0.636 21 HZ PHE 2 HZ PHE 2 6.065 -5.103 2.023 22 H ILE 3 HN ILE 3 3.759 2.681 4.398 23 HA ILE 3 HA ILE 3 5.289 3.778 6.708 24 HB ILE 3 HB ILE 3 3.847 5.874 5.624 25 1HG1 ILE 3 2HG1 ILE 3 4.415 5.715 3.159 26 2HG1 ILE 3 3HG1 ILE 3 4.772 3.990 3.417 27 1HG2 ILE 3 1HG2 ILE 3 6.310 5.937 4.310 28 2HG2 ILE 3 2HG2 ILE 3 5.985 6.548 5.950 29 3HG2 ILE 3 3HG2 ILE 3 6.618 4.900 5.724 30 1HD1 ILE 3 1HD1 ILE 3 2.572 3.441 3.528 31 2HD1 ILE 3 2HD1 ILE 3 2.191 4.836 4.567 32 3HD1 ILE 3 3HD1 ILE 3 2.278 5.039 2.800 33 H ASP 4 HN ASP 4 2.771 5.776 6.372 34 HA ASP 4 HA ASP 4 0.430 4.550 7.135 35 1HB ASP 4 2HB ASP 4 0.684 4.909 9.724 36 2HB ASP 4 3HB ASP 4 1.264 3.405 8.978 37 H ASN 5 HN ASN 5 -1.055 6.141 7.096 38 HA ASN 5 HA ASN 5 -1.820 8.306 6.855 39 1HB ASN 5 2HB ASN 5 -0.430 9.050 9.393 40 2HB ASN 5 3HB ASN 5 -2.128 9.263 8.917 41 1HD2 ASN 5 1HD2 ASN 5 -2.254 6.383 7.986 42 2HD2 ASN 5 2HD2 ASN 5 -2.417 5.445 9.455 43 H THR 6 HN THR 6 1.021 7.685 5.892 44 HA THR 6 HA THR 6 2.569 10.066 6.337 45 HB THR 6 HB THR 6 3.489 7.840 5.646 46 HG1 THR 6 HG1 THR 6 5.052 8.983 4.874 47 1HG2 THR 6 1HG2 THR 6 1.469 7.792 3.829 48 2HG2 THR 6 2HG2 THR 6 2.785 8.408 2.801 49 3HG2 THR 6 3HG2 THR 6 2.967 6.850 3.641 50 H CYS 7 HN CYS 7 0.270 11.236 5.902 51 HA CYS 7 HA CYS 7 -0.449 11.687 3.173 52 1HB CYS 7 2HB CYS 7 -0.965 13.039 5.810 53 2HB CYS 7 3HB CYS 7 -1.437 13.843 4.305 54 H ARG 8 HN ARG 8 -0.547 14.577 3.167 55 HA ARG 8 HA ARG 8 2.083 15.676 3.475 56 1HB ARG 8 2HB ARG 8 2.906 14.543 1.634 57 2HB ARG 8 3HB ARG 8 1.314 14.448 0.845 58 1HG ARG 8 2HG ARG 8 2.782 16.041 -0.341 59 2HG ARG 8 3HG ARG 8 1.400 16.888 0.395 60 1HD ARG 8 2HD ARG 8 2.902 18.242 1.393 61 2HD ARG 8 3HD ARG 8 3.339 16.856 2.414 62 HE ARG 8 HE ARG 8 4.967 16.319 0.452 63 1HH1 ARG 8 2HH2 ARG 8 4.004 19.537 1.557 64 2HH1 ARG 8 1HH2 ARG 8 5.494 20.304 1.057 65 1HH2 ARG 8 2HH1 ARG 8 6.936 17.334 -0.208 66 2HH2 ARG 8 1HH1 ARG 8 7.166 19.048 0.051 67 H GLY 9 HN GLY 9 -1.180 15.687 2.149 68 1HA GLY 9 1HA GLY 9 -1.086 18.672 2.108 69 2HA GLY 9 2HA GLY 9 -2.118 17.688 1.045 70 H VAL 10 HN VAL 10 -1.599 16.700 4.371 71 HA VAL 10 HA VAL 10 -4.418 16.758 4.924 72 HB VAL 10 HB VAL 10 -2.901 15.097 5.915 73 1HG1 VAL 10 1HG1 VAL 10 -1.709 17.496 7.373 74 2HG1 VAL 10 2HG1 VAL 10 -1.278 15.791 7.645 75 3HG1 VAL 10 3HG1 VAL 10 -0.907 16.564 6.086 76 1HG2 VAL 10 1HG2 VAL 10 -4.324 15.007 7.661 77 2HG2 VAL 10 2HG2 VAL 10 -3.519 16.396 8.429 78 3HG2 VAL 10 3HG2 VAL 10 -4.848 16.664 7.275 79 H MET 11 HN MET 11 -1.608 18.709 6.052 80 HA MET 11 HA MET 11 -3.150 20.427 7.726 81 1HB MET 11 2HB MET 11 -1.150 21.847 7.699 82 2HB MET 11 3HB MET 11 -0.687 20.137 7.872 83 1HG MET 11 2HG MET 11 -0.836 21.521 5.181 84 2HG MET 11 3HG MET 11 0.631 21.549 6.173 85 1HE MET 11 1HE MET 11 0.670 17.793 7.004 86 2HE MET 11 2HE MET 11 2.167 18.533 6.389 87 3HE MET 11 3HE MET 11 1.108 19.449 7.488 88 H GLY 12 HN GLY 12 -2.760 20.199 4.282 89 1HA GLY 12 1HA GLY 12 -3.594 22.987 3.829 90 2HA GLY 12 2HA GLY 12 -3.179 21.776 2.594 91 H ASN 13 HN ASN 13 -4.965 19.812 4.199 92 HA ASN 13 HA ASN 13 -7.425 20.513 2.748 93 1HB ASN 13 2HB ASN 13 -6.169 18.082 3.897 94 2HB ASN 13 3HB ASN 13 -7.941 18.151 4.008 95 1HD2 ASN 13 1HD2 ASN 13 -5.952 16.541 2.292 96 2HD2 ASN 13 2HD2 ASN 13 -6.537 16.758 0.656 97 H ARG 14 HN ARG 14 -6.973 19.005 5.978 98 HA ARG 14 HA ARG 14 -7.981 19.428 7.988 99 1HB ARG 14 2HB ARG 14 -8.355 22.242 6.889 100 2HB ARG 14 3HB ARG 14 -8.390 21.750 8.600 101 1HG ARG 14 2HG ARG 14 -5.983 21.216 6.830 102 2HG ARG 14 3HG ARG 14 -6.180 22.751 7.709 103 1HD ARG 14 2HD ARG 14 -6.159 19.965 8.941 104 2HD ARG 14 3HD ARG 14 -4.842 21.154 9.028 105 HE ARG 14 HE ARG 14 -7.323 21.140 10.574 106 1HH1 ARG 14 2HH2 ARG 14 -4.610 23.044 9.343 107 2HH1 ARG 14 1HH2 ARG 14 -4.738 24.277 10.578 108 1HH2 ARG 14 2HH1 ARG 14 -7.492 22.769 12.205 109 2HH2 ARG 14 1HH1 ARG 14 -6.381 24.120 12.209 110 H ASP 15 HN ASP 15 -9.508 18.764 5.388 111 HA ASP 15 HA ASP 15 -12.184 19.158 6.590 112 1HB ASP 15 2HB ASP 15 -11.280 20.718 4.463 113 2HB ASP 15 3HB ASP 15 -12.201 19.420 3.672 114 H ILE 16 HN ILE 16 -10.148 17.626 4.064 115 HA ILE 16 HA ILE 16 -12.005 15.532 3.468 116 HB ILE 16 HB ILE 16 -8.977 15.517 3.182 117 1HG1 ILE 16 2HG1 ILE 16 -11.178 16.747 1.484 118 2HG1 ILE 16 3HG1 ILE 16 -9.728 17.541 2.145 119 1HG2 ILE 16 1HG2 ILE 16 -10.476 13.404 2.836 120 2HG2 ILE 16 2HG2 ILE 16 -11.039 14.240 1.370 121 3HG2 ILE 16 3HG2 ILE 16 -9.315 13.840 1.559 122 1HD1 ILE 16 1HD1 ILE 16 -8.741 17.097 0.158 123 2HD1 ILE 16 2HD1 ILE 16 -8.701 15.395 0.676 124 3HD1 ILE 16 3HD1 ILE 16 -10.047 15.989 -0.325 125 H TYR 17 HN TYR 17 -9.790 16.123 6.092 126 HA TYR 17 HA TYR 17 -9.555 13.322 6.858 127 1HB TYR 17 2HB TYR 17 -7.902 15.272 7.272 128 2HB TYR 17 3HB TYR 17 -8.989 15.728 8.594 129 HD1 TYR 17 HD1 TYR 17 -6.008 14.191 8.023 130 HD2 TYR 17 HD2 TYR 17 -9.763 13.384 9.945 131 HE1 TYR 17 HE1 TYR 17 -4.895 12.544 9.507 132 HE2 TYR 17 HE2 TYR 17 -8.650 11.737 11.429 133 HH TYR 17 HH TYR 17 -6.047 11.417 12.295 134 H LYS 18 HN LYS 18 -11.339 16.229 7.995 135 HA LYS 18 HA LYS 18 -12.581 15.156 10.238 136 1HB LYS 18 2HB LYS 18 -13.542 17.133 8.145 137 2HB LYS 18 3HB LYS 18 -14.468 16.769 9.621 138 1HG LYS 18 2HG LYS 18 -12.655 17.514 11.033 139 2HG LYS 18 3HG LYS 18 -11.553 17.645 9.641 140 1HD LYS 18 2HD LYS 18 -12.186 19.848 9.718 141 2HD LYS 18 3HD LYS 18 -13.579 19.246 8.787 142 1HE LYS 18 2HE LYS 18 -14.951 19.112 10.736 143 2HE LYS 18 3HE LYS 18 -13.557 19.302 11.821 144 1HZ LYS 18 1HZ LYS 18 -14.898 21.303 11.549 145 2HZ LYS 18 2HZ LYS 18 -13.322 21.521 11.113 146 3HZ LYS 18 3HZ LYS 18 -14.485 21.364 9.954 147 H LYS 19 HN LYS 19 -13.643 14.980 6.804 148 HA LYS 19 HA LYS 19 -15.987 13.427 7.399 149 1HB LYS 19 2HB LYS 19 -14.408 13.766 4.818 150 2HB LYS 19 3HB LYS 19 -16.047 13.086 4.951 151 1HG LYS 19 2HG LYS 19 -16.992 15.150 5.565 152 2HG LYS 19 3HG LYS 19 -15.430 15.815 6.099 153 1HD LYS 19 2HD LYS 19 -16.355 15.300 3.246 154 2HD LYS 19 3HD LYS 19 -15.951 16.864 3.994 155 1HE LYS 19 2HE LYS 19 -13.692 15.199 4.389 156 2HE LYS 19 3HE LYS 19 -14.201 14.938 2.706 157 1HZ LYS 19 1HZ LYS 19 -13.326 17.388 4.000 158 2HZ LYS 19 2HZ LYS 19 -12.868 16.744 2.553 159 3HZ LYS 19 3HZ LYS 19 -14.338 17.477 2.701 160 H VAL 20 HN VAL 20 -12.723 12.611 6.110 161 HA VAL 20 HA VAL 20 -13.084 9.867 5.772 162 HB VAL 20 HB VAL 20 -10.688 11.533 6.595 163 1HG1 VAL 20 1HG1 VAL 20 -9.838 9.053 5.519 164 2HG1 VAL 20 2HG1 VAL 20 -9.623 9.635 7.187 165 3HG1 VAL 20 3HG1 VAL 20 -11.047 8.655 6.763 166 1HG2 VAL 20 1HG2 VAL 20 -10.232 11.621 4.345 167 2HG2 VAL 20 2HG2 VAL 20 -10.883 9.992 4.044 168 3HG2 VAL 20 3HG2 VAL 20 -11.990 11.374 4.219 169 H VAL 21 HN VAL 21 -11.371 11.287 8.610 170 HA VAL 21 HA VAL 21 -11.384 9.078 10.245 171 HB VAL 21 HB VAL 21 -10.365 11.368 10.671 172 1HG1 VAL 21 1HG1 VAL 21 -12.674 12.489 10.300 173 2HG1 VAL 21 2HG1 VAL 21 -13.037 11.985 11.968 174 3HG1 VAL 21 3HG1 VAL 21 -11.677 13.088 11.648 175 1HG2 VAL 21 1HG2 VAL 21 -10.489 11.120 13.096 176 2HG2 VAL 21 2HG2 VAL 21 -11.992 10.177 12.957 177 3HG2 VAL 21 3HG2 VAL 21 -10.460 9.503 12.353 178 H ARG 22 HN ARG 22 -14.069 11.327 9.585 179 HA ARG 22 HA ARG 22 -15.808 10.243 11.607 180 1HB ARG 22 2HB ARG 22 -16.053 12.516 10.649 181 2HB ARG 22 3HB ARG 22 -16.441 11.797 9.067 182 1HG ARG 22 2HG ARG 22 -18.570 12.191 9.983 183 2HG ARG 22 3HG ARG 22 -18.281 10.484 10.397 184 1HD ARG 22 2HD ARG 22 -17.932 10.942 12.639 185 2HD ARG 22 3HD ARG 22 -17.335 12.585 12.321 186 HE ARG 22 HE ARG 22 -19.955 12.760 11.579 187 1HH1 ARG 22 2HH2 ARG 22 -18.309 11.526 14.454 188 2HH1 ARG 22 1HH2 ARG 22 -19.622 11.919 15.542 189 1HH2 ARG 22 2HH1 ARG 22 -21.689 13.279 13.015 190 2HH2 ARG 22 1HH1 ARG 22 -21.549 12.918 14.721 191 H VAL 23 HN VAL 23 -15.096 9.509 8.207 192 HA VAL 23 HA VAL 23 -17.357 7.800 7.781 193 HB VAL 23 HB VAL 23 -14.666 8.172 6.441 194 1HG1 VAL 23 1HG1 VAL 23 -16.853 6.140 5.865 195 2HG1 VAL 23 2HG1 VAL 23 -15.674 6.658 4.637 196 3HG1 VAL 23 3HG1 VAL 23 -15.117 5.840 6.116 197 1HG2 VAL 23 1HG2 VAL 23 -15.962 9.883 5.646 198 2HG2 VAL 23 2HG2 VAL 23 -16.630 8.610 4.595 199 3HG2 VAL 23 3HG2 VAL 23 -17.483 9.071 6.088 200 H CYS 24 HN CYS 24 -14.264 7.433 9.383 201 HA CYS 24 HA CYS 24 -14.296 4.521 9.282 202 1HB CYS 24 2HB CYS 24 -12.683 6.371 11.062 203 2HB CYS 24 3HB CYS 24 -12.330 4.681 10.667 204 H GLU 25 HN GLU 25 -15.283 7.115 11.507 205 HA GLU 25 HA GLU 25 -15.670 5.550 13.824 206 1HB GLU 25 2HB GLU 25 -16.574 8.171 12.767 207 2HB GLU 25 3HB GLU 25 -17.637 7.440 13.993 208 1HG GLU 25 2HG GLU 25 -14.792 7.179 14.668 209 2HG GLU 25 3HG GLU 25 -15.294 8.875 14.491 210 H ASP 26 HN ASP 26 -17.999 6.448 11.220 211 HA ASP 26 HA ASP 26 -20.155 4.917 12.270 212 1HB ASP 26 2HB ASP 26 -19.808 6.731 10.240 213 2HB ASP 26 3HB ASP 26 -19.994 5.215 9.331 214 H CYS 27 HN CYS 27 -17.593 4.183 9.864 215 HA CYS 27 HA CYS 27 -18.554 1.601 9.166 216 1HB CYS 27 2HB CYS 27 -16.975 2.303 7.683 217 2HB CYS 27 3HB CYS 27 -16.038 3.160 8.917 218 H THR 28 HN THR 28 -15.690 2.388 11.224 219 HA THR 28 HA THR 28 -15.211 -0.090 12.287 220 HB THR 28 HB THR 28 -14.102 2.243 12.714 221 HG1 THR 28 HG1 THR 28 -14.383 0.267 14.737 222 1HG2 THR 28 1HG2 THR 28 -15.327 2.234 15.390 223 2HG2 THR 28 2HG2 THR 28 -15.009 3.597 14.291 224 3HG2 THR 28 3HG2 THR 28 -16.489 2.627 14.100 225 H ASN 29 HN ASN 29 -17.957 2.007 12.916 226 HA ASN 29 HA ASN 29 -18.792 0.631 15.327 227 1HB ASN 29 2HB ASN 29 -19.726 2.706 15.345 228 2HB ASN 29 3HB ASN 29 -19.761 2.822 13.572 229 1HD2 ASN 29 1HD2 ASN 29 -21.628 2.348 12.469 230 2HD2 ASN 29 2HD2 ASN 29 -23.099 1.782 13.231 231 H ILE 30 HN ILE 30 -19.621 0.520 11.846 232 HA ILE 30 HA ILE 30 -21.825 -1.185 11.942 233 HB ILE 30 HB ILE 30 -19.711 -0.478 9.982 234 1HG1 ILE 30 2HG1 ILE 30 -21.693 -0.129 8.569 235 2HG1 ILE 30 3HG1 ILE 30 -22.722 -0.915 9.790 236 1HG2 ILE 30 1HG2 ILE 30 -21.179 -3.124 9.976 237 2HG2 ILE 30 2HG2 ILE 30 -20.767 -2.318 8.443 238 3HG2 ILE 30 3HG2 ILE 30 -19.477 -2.784 9.577 239 1HD1 ILE 30 1HD1 ILE 30 -21.298 1.751 9.930 240 2HD1 ILE 30 2HD1 ILE 30 -23.003 1.371 10.271 241 3HD1 ILE 30 3HD1 ILE 30 -21.735 0.882 11.421 242 H PHE 31 HN PHE 31 -18.330 -2.056 11.756 243 HA PHE 31 HA PHE 31 -19.032 -4.874 12.255 244 1HB PHE 31 2HB PHE 31 -16.698 -3.341 11.243 245 2HB PHE 31 3HB PHE 31 -16.318 -4.786 12.195 246 HD1 PHE 31 HD1 PHE 31 -16.738 -3.656 8.960 247 HD2 PHE 31 HD2 PHE 31 -17.992 -6.868 11.521 248 HE1 PHE 31 HE1 PHE 31 -17.165 -5.074 6.971 249 HE2 PHE 31 HE2 PHE 31 -18.420 -8.286 9.532 250 HZ PHE 31 HZ PHE 31 -18.006 -7.390 7.257 251 H ARG 32 HN ARG 32 -17.928 -2.013 13.916 252 HA ARG 32 HA ARG 32 -17.459 -1.632 16.124 253 1HB ARG 32 2HB ARG 32 -18.995 -4.178 16.144 254 2HB ARG 32 3HB ARG 32 -18.021 -3.852 17.598 255 1HG ARG 32 2HG ARG 32 -19.212 -1.382 16.959 256 2HG ARG 32 3HG ARG 32 -20.498 -2.587 16.706 257 1HD ARG 32 2HD ARG 32 -18.951 -3.160 19.116 258 2HD ARG 32 3HD ARG 32 -19.644 -1.525 19.166 259 HE ARG 32 HE ARG 32 -21.753 -2.449 19.380 260 1HH1 ARG 32 2HH2 ARG 32 -19.465 -4.883 18.222 261 2HH1 ARG 32 1HH2 ARG 32 -20.597 -6.210 18.358 262 1HH2 ARG 32 2HH1 ARG 32 -23.248 -4.202 19.560 263 2HH2 ARG 32 1HH1 ARG 32 -22.754 -5.821 19.121 264 H LEU 33 HN LEU 33 -15.522 -2.890 14.208 265 HA LEU 33 HA LEU 33 -13.852 -4.520 16.016 266 1HB LEU 33 2HB LEU 33 -13.571 -3.734 13.089 267 2HB LEU 33 3HB LEU 33 -12.441 -4.786 13.975 268 HG LEU 33 HG LEU 33 -15.426 -5.343 13.762 269 1HD1 LEU 33 1HD1 LEU 33 -13.097 -6.111 11.988 270 2HD1 LEU 33 2HD1 LEU 33 -14.505 -7.187 12.152 271 3HD1 LEU 33 3HD1 LEU 33 -14.716 -5.535 11.524 272 1HD2 LEU 33 1HD2 LEU 33 -14.604 -7.660 14.365 273 2HD2 LEU 33 2HD2 LEU 33 -12.992 -6.954 14.634 274 3HD2 LEU 33 3HD2 LEU 33 -14.367 -6.444 15.643 275 HA PRO 34 HA PRO 34 -11.543 -0.935 17.196 276 1HB PRO 34 2HB PRO 34 -9.551 -2.194 18.563 277 2HB PRO 34 3HB PRO 34 -11.242 -2.173 19.162 278 1HG PRO 34 2HG PRO 34 -9.892 -4.354 17.546 279 2HG PRO 34 3HG PRO 34 -10.787 -4.539 19.090 280 1HD PRO 34 2HD PRO 34 -11.995 -4.973 16.685 281 2HD PRO 34 3HD PRO 34 -12.873 -4.140 18.004 282 H GLY 35 HN GLY 35 -10.170 -3.762 15.511 283 1HA GLY 35 1HA GLY 35 -7.877 -2.148 14.577 284 2HA GLY 35 2HA GLY 35 -8.111 -3.897 14.358 285 H LEU 36 HN LEU 36 -9.811 -0.822 13.515 286 HA LEU 36 HA LEU 36 -9.804 -1.629 10.689 287 1HB LEU 36 2HB LEU 36 -11.866 -2.639 11.771 288 2HB LEU 36 3HB LEU 36 -12.409 -0.978 12.111 289 HG LEU 36 HG LEU 36 -12.038 -0.525 9.597 290 1HD1 LEU 36 1HD1 LEU 36 -10.744 -2.396 8.910 291 2HD1 LEU 36 2HD1 LEU 36 -11.819 -3.548 9.737 292 3HD1 LEU 36 3HD1 LEU 36 -12.370 -2.719 8.262 293 1HD2 LEU 36 1HD2 LEU 36 -14.170 -2.573 10.333 294 2HD2 LEU 36 2HD2 LEU 36 -14.263 -0.846 10.753 295 3HD2 LEU 36 3HD2 LEU 36 -14.254 -1.347 9.045 296 H ASP 37 HN ASP 37 -10.823 0.704 13.214 297 HA ASP 37 HA ASP 37 -11.397 2.942 11.742 298 1HB ASP 37 2HB ASP 37 -11.055 2.474 14.349 299 2HB ASP 37 3HB ASP 37 -9.494 3.263 14.036 300 H GLY 38 HN GLY 38 -8.065 2.146 12.904 301 1HA GLY 38 1HA GLY 38 -6.644 4.098 11.588 302 2HA GLY 38 2HA GLY 38 -6.034 2.449 11.851 303 H MET 39 HN MET 39 -7.004 0.769 10.238 304 HA MET 39 HA MET 39 -6.054 1.175 7.714 305 1HB MET 39 2HB MET 39 -8.257 -0.518 8.846 306 2HB MET 39 3HB MET 39 -8.077 -0.442 7.077 307 1HG MET 39 2HG MET 39 -5.644 -0.981 7.367 308 2HG MET 39 3HG MET 39 -5.940 -1.204 9.099 309 1HE MET 39 1HE MET 39 -8.579 -4.003 9.129 310 2HE MET 39 2HE MET 39 -8.482 -2.243 9.381 311 3HE MET 39 3HE MET 39 -9.232 -2.891 7.902 312 H CYS 40 HN CYS 40 -9.513 1.645 8.640 313 HA CYS 40 HA CYS 40 -10.556 2.587 6.300 314 1HB CYS 40 2HB CYS 40 -11.874 2.346 8.309 315 2HB CYS 40 3HB CYS 40 -10.964 3.632 9.117 316 H ARG 41 HN ARG 41 -8.360 4.307 8.510 317 HA ARG 41 HA ARG 41 -8.027 6.374 6.402 318 1HB ARG 41 2HB ARG 41 -7.691 7.923 8.532 319 2HB ARG 41 3HB ARG 41 -9.314 7.630 7.862 320 1HG ARG 41 2HG ARG 41 -9.574 7.229 10.183 321 2HG ARG 41 3HG ARG 41 -9.396 5.602 9.483 322 1HD ARG 41 2HD ARG 41 -6.947 5.699 9.999 323 2HD ARG 41 3HD ARG 41 -7.208 7.265 10.798 324 HE ARG 41 HE ARG 41 -8.648 4.818 11.713 325 1HH1 ARG 41 2HH2 ARG 41 -6.490 7.562 12.272 326 2HH1 ARG 41 1HH2 ARG 41 -6.433 7.339 14.007 327 1HH2 ARG 41 2HH1 ARG 41 -8.573 4.524 14.004 328 2HH2 ARG 41 1HH1 ARG 41 -7.620 5.607 14.994 329 H ASN 42 HN ASN 42 -6.411 4.113 6.705 330 HA ASN 42 HA ASN 42 -4.072 5.015 8.273 331 1HB ASN 42 2HB ASN 42 -5.085 2.607 8.218 332 2HB ASN 42 3HB ASN 42 -4.253 2.474 6.653 333 1HD2 ASN 42 1HD2 ASN 42 -2.287 4.589 7.987 334 2HD2 ASN 42 2HD2 ASN 42 -1.180 3.557 8.868 335 H ARG 43 HN ARG 43 -1.936 4.152 6.938 336 HA ARG 43 HA ARG 43 -0.502 5.292 5.451 337 1HB ARG 43 2HB ARG 43 -1.390 4.241 3.066 338 2HB ARG 43 3HB ARG 43 -0.400 3.367 4.259 339 1HG ARG 43 2HG ARG 43 -3.378 3.425 4.659 340 2HG ARG 43 3HG ARG 43 -2.722 2.370 3.384 341 1HD ARG 43 2HD ARG 43 -1.147 1.394 5.073 342 2HD ARG 43 3HD ARG 43 -1.939 2.373 6.327 343 HE ARG 43 HE ARG 43 -4.049 1.051 5.239 344 1HH1 ARG 43 2HH2 ARG 43 -0.862 -0.002 6.352 345 2HH1 ARG 43 1HH2 ARG 43 -1.404 -1.596 6.829 346 1HH2 ARG 43 2HH1 ARG 43 -4.764 -1.055 5.868 347 2HH2 ARG 43 1HH1 ARG 43 -3.629 -2.196 6.553 348 H CYS 44 HN CYS 44 -2.414 7.171 6.144 349 HA CYS 44 HA CYS 44 -3.310 9.144 5.410 350 1HB CYS 44 2HB CYS 44 -1.152 9.380 4.275 351 2HB CYS 44 3HB CYS 44 -1.758 8.447 2.896 352 H PHE 45 HN PHE 45 -5.177 7.324 5.484 353 HA PHE 45 HA PHE 45 -7.090 6.470 4.530 354 1HB PHE 45 2HB PHE 45 -7.042 8.976 2.840 355 2HB PHE 45 3HB PHE 45 -8.444 8.109 3.489 356 HD1 PHE 45 HD1 PHE 45 -6.526 7.871 6.207 357 HD2 PHE 45 HD2 PHE 45 -8.327 10.978 3.851 358 HE1 PHE 45 HE1 PHE 45 -6.537 9.365 8.186 359 HE2 PHE 45 HE2 PHE 45 -8.338 12.472 5.830 360 HZ PHE 45 HZ PHE 45 -7.443 11.666 7.998 361 H TYR 46 HN TYR 46 -4.352 6.167 3.048 362 HA TYR 46 HA TYR 46 -5.449 5.575 0.350 363 1HB TYR 46 2HB TYR 46 -3.326 7.026 0.838 364 2HB TYR 46 3HB TYR 46 -2.541 5.464 1.128 365 HD1 TYR 46 HD1 TYR 46 -3.595 7.848 -1.345 366 HD2 TYR 46 HD2 TYR 46 -2.651 3.702 -0.737 367 HE1 TYR 46 HE1 TYR 46 -3.248 7.570 -3.784 368 HE2 TYR 46 HE2 TYR 46 -2.304 3.423 -3.177 369 HH TYR 46 HH TYR 46 -2.488 6.162 -5.446 370 H ASN 47 HN ASN 47 -6.525 3.627 0.843 371 HA ASN 47 HA ASN 47 -4.966 1.278 0.637 372 1HB ASN 47 2HB ASN 47 -5.654 0.400 2.998 373 2HB ASN 47 3HB ASN 47 -4.212 1.425 2.841 374 1HD2 ASN 47 1HD2 ASN 47 -7.351 2.897 2.381 375 2HD2 ASN 47 2HD2 ASN 47 -7.419 3.747 3.910 376 H GLU 48 HN GLU 48 -7.459 2.769 -0.225 377 HA GLU 48 HA GLU 48 -9.587 2.246 -0.883 378 1HB GLU 48 2HB GLU 48 -9.912 0.095 -1.677 379 2HB GLU 48 3HB GLU 48 -8.138 0.119 -1.534 380 1HG GLU 48 2HG GLU 48 -8.153 -1.443 0.098 381 2HG GLU 48 3HG GLU 48 -9.445 -0.609 0.987 382 H TRP 49 HN TRP 49 -8.393 1.141 2.197 383 HA TRP 49 HA TRP 49 -10.631 0.071 3.429 384 1HB TRP 49 2HB TRP 49 -8.450 1.915 4.410 385 2HB TRP 49 3HB TRP 49 -9.708 1.309 5.497 386 HD1 TRP 49 HD1 TRP 49 -6.366 0.650 5.076 387 HE1 TRP 49 HE1 TRP 49 -5.673 -1.784 5.362 388 HE3 TRP 49 HE3 TRP 49 -10.942 -1.566 4.482 389 HZ2 TRP 49 HZ2 TRP 49 -6.942 -4.385 5.337 390 HZ3 TRP 49 HZ3 TRP 49 -11.159 -4.020 4.620 391 HH2 TRP 49 HH2 TRP 49 -9.175 -5.441 5.045 392 H PHE 50 HN PHE 50 -10.334 3.151 1.984 393 HA PHE 50 HA PHE 50 -12.203 4.545 3.715 394 1HB PHE 50 2HB PHE 50 -10.318 5.432 2.099 395 2HB PHE 50 3HB PHE 50 -11.598 5.333 0.878 396 HD1 PHE 50 HD1 PHE 50 -12.463 6.076 4.365 397 HD2 PHE 50 HD2 PHE 50 -11.521 7.765 0.530 398 HE1 PHE 50 HE1 PHE 50 -13.350 8.268 5.113 399 HE2 PHE 50 HE2 PHE 50 -12.407 9.957 1.278 400 HZ PHE 50 HZ PHE 50 -13.321 10.209 3.569 401 H LEU 51 HN LEU 51 -12.373 2.364 0.990 402 HA LEU 51 HA LEU 51 -15.127 3.144 0.330 403 1HB LEU 51 2HB LEU 51 -13.490 2.486 -1.431 404 2HB LEU 51 3HB LEU 51 -13.396 0.864 -0.705 405 HG LEU 51 HG LEU 51 -16.152 1.375 -0.968 406 1HD1 LEU 51 1HD1 LEU 51 -15.689 1.665 -3.711 407 2HD1 LEU 51 2HD1 LEU 51 -16.332 2.914 -2.618 408 3HD1 LEU 51 3HD1 LEU 51 -14.588 2.849 -2.967 409 1HD2 LEU 51 1HD2 LEU 51 -16.068 -0.646 -2.026 410 2HD2 LEU 51 2HD2 LEU 51 -14.825 -0.100 -3.177 411 3HD2 LEU 51 3HD2 LEU 51 -14.355 -0.620 -1.541 412 H ILE 52 HN ILE 52 -13.330 0.452 1.862 413 HA ILE 52 HA ILE 52 -15.439 -1.354 2.206 414 HB ILE 52 HB ILE 52 -13.143 -0.738 4.109 415 1HG1 ILE 52 2HG1 ILE 52 -12.213 -2.810 2.810 416 2HG1 ILE 52 3HG1 ILE 52 -13.403 -2.359 1.566 417 1HG2 ILE 52 1HG2 ILE 52 -13.521 -3.343 4.416 418 2HG2 ILE 52 2HG2 ILE 52 -14.525 -2.180 5.315 419 3HG2 ILE 52 3HG2 ILE 52 -15.164 -2.961 3.849 420 1HD1 ILE 52 1HD1 ILE 52 -12.102 0.045 2.383 421 2HD1 ILE 52 2HD1 ILE 52 -10.829 -1.171 2.120 422 3HD1 ILE 52 3HD1 ILE 52 -11.976 -0.786 0.814 423 H CYS 53 HN CYS 53 -14.491 1.488 4.172 424 HA CYS 53 HA CYS 53 -16.538 1.006 6.164 425 1HB CYS 53 2HB CYS 53 -14.756 3.364 5.493 426 2HB CYS 53 3HB CYS 53 -15.909 3.368 6.837 427 H LEU 54 HN LEU 54 -16.114 3.272 3.400 428 HA LEU 54 HA LEU 54 -18.466 4.738 3.677 429 1HB LEU 54 2HB LEU 54 -16.661 3.958 1.434 430 2HB LEU 54 3HB LEU 54 -18.271 4.572 0.987 431 HG LEU 54 HG LEU 54 -16.768 6.061 3.111 432 1HD1 LEU 54 1HD1 LEU 54 -14.984 6.535 1.819 433 2HD1 LEU 54 2HD1 LEU 54 -15.613 5.463 0.544 434 3HD1 LEU 54 3HD1 LEU 54 -16.073 7.182 0.568 435 1HD2 LEU 54 1HD2 LEU 54 -18.941 6.454 1.157 436 2HD2 LEU 54 2HD2 LEU 54 -18.628 7.293 2.696 437 3HD2 LEU 54 3HD2 LEU 54 -17.790 7.810 1.213 438 H LYS 55 HN LYS 55 -17.966 1.442 2.464 439 HA LYS 55 HA LYS 55 -20.578 1.150 1.309 440 1HB LYS 55 2HB LYS 55 -18.223 -0.531 1.915 441 2HB LYS 55 3HB LYS 55 -19.779 -1.392 1.988 442 1HG LYS 55 2HG LYS 55 -19.976 -1.354 -0.261 443 2HG LYS 55 3HG LYS 55 -19.700 0.404 -0.304 444 1HD LYS 55 2HD LYS 55 -17.719 -0.070 -1.294 445 2HD LYS 55 3HD LYS 55 -17.183 -0.646 0.302 446 1HE LYS 55 2HE LYS 55 -18.470 -2.300 -1.906 447 2HE LYS 55 3HE LYS 55 -16.787 -2.399 -1.342 448 1HZ LYS 55 1HZ LYS 55 -18.751 -3.925 -0.459 449 2HZ LYS 55 2HZ LYS 55 -17.390 -3.583 0.407 450 3HZ LYS 55 3HZ LYS 55 -18.778 -2.736 0.684 451 H ALA 56 HN ALA 56 -19.138 0.218 4.473 452 HA ALA 56 HA ALA 56 -21.388 -1.039 5.570 453 1HB ALA 56 1HB ALA 56 -20.125 0.406 7.650 454 2HB ALA 56 2HB ALA 56 -19.830 -1.282 7.168 455 3HB ALA 56 3HB ALA 56 -18.849 0.028 6.469 456 H ALA 57 HN ALA 57 -21.029 2.198 4.563 457 HA ALA 57 HA ALA 57 -23.200 3.096 6.390 458 1HB ALA 57 1HB ALA 57 -22.457 5.334 5.961 459 2HB ALA 57 2HB ALA 57 -20.999 4.369 6.296 460 3HB ALA 57 3HB ALA 57 -21.415 4.801 4.620 461 H ASN 58 HN ASN 58 -22.747 1.742 3.396 462 HA ASN 58 HA ASN 58 -24.272 1.454 1.688 463 1HB ASN 58 2HB ASN 58 -26.422 1.901 2.163 464 2HB ASN 58 3HB ASN 58 -25.842 2.578 3.700 465 1HD2 ASN 58 1HD2 ASN 58 -26.065 3.554 0.224 466 2HD2 ASN 58 2HD2 ASN 58 -26.645 5.175 0.544 467 H ARG 59 HN ARG 59 -23.037 4.575 2.680 468 HA ARG 59 HA ARG 59 -23.599 6.266 0.600 469 1HB ARG 59 2HB ARG 59 -21.106 5.774 2.226 470 2HB ARG 59 3HB ARG 59 -21.089 6.979 0.916 471 1HG ARG 59 2HG ARG 59 -22.538 8.391 2.012 472 2HG ARG 59 3HG ARG 59 -23.422 7.055 2.787 473 1HD ARG 59 2HD ARG 59 -21.631 6.717 4.386 474 2HD ARG 59 3HD ARG 59 -20.590 7.879 3.536 475 HE ARG 59 HE ARG 59 -23.143 8.669 4.879 476 1HH1 ARG 59 2HH2 ARG 59 -19.724 9.136 4.110 477 2HH1 ARG 59 1HH2 ARG 59 -19.597 10.654 4.971 478 1HH2 ARG 59 2HH1 ARG 59 -22.975 10.673 6.016 479 2HH2 ARG 59 1HH1 ARG 59 -21.450 11.530 6.058 480 H GLU 60 HN GLU 60 -20.458 4.522 0.553 481 HA GLU 60 HA GLU 60 -19.185 3.992 -1.316 482 1HB GLU 60 2HB GLU 60 -20.635 1.996 -0.722 483 2HB GLU 60 3HB GLU 60 -21.732 2.497 -2.031 484 1HG GLU 60 2HG GLU 60 -20.078 2.165 -3.698 485 2HG GLU 60 3HG GLU 60 -18.762 2.126 -2.505 486 H ASP 61 HN ASP 61 -20.357 6.524 -1.684 487 HA ASP 61 HA ASP 61 -20.724 6.468 -4.627 488 1HB ASP 61 2HB ASP 61 -22.950 6.645 -3.429 489 2HB ASP 61 3HB ASP 61 -22.382 8.186 -2.751 490 H GLU 62 HN GLU 62 -19.918 8.230 -1.633 491 HA GLU 62 HA GLU 62 -18.816 10.494 -3.105 492 1HB GLU 62 2HB GLU 62 -18.578 9.742 -0.166 493 2HB GLU 62 3HB GLU 62 -18.236 11.332 -0.891 494 1HG GLU 62 2HG GLU 62 -20.912 10.219 -1.522 495 2HG GLU 62 3HG GLU 62 -20.653 10.606 0.192 496 H ILE 63 HN ILE 63 -17.822 7.464 -3.103 497 HA ILE 63 HA ILE 63 -15.140 7.568 -2.113 498 HB ILE 63 HB ILE 63 -15.747 5.793 -4.416 499 1HG1 ILE 63 2HG1 ILE 63 -17.985 6.063 -3.329 500 2HG1 ILE 63 3HG1 ILE 63 -17.328 4.419 -3.146 501 1HG2 ILE 63 1HG2 ILE 63 -15.187 4.442 -1.961 502 2HG2 ILE 63 2HG2 ILE 63 -14.099 4.690 -3.347 503 3HG2 ILE 63 3HG2 ILE 63 -14.139 5.879 -2.024 504 1HD1 ILE 63 1HD1 ILE 63 -16.763 4.766 -0.879 505 2HD1 ILE 63 2HD1 ILE 63 -16.831 6.538 -1.040 506 3HD1 ILE 63 3HD1 ILE 63 -18.335 5.585 -1.042 507 H GLU 64 HN GLU 64 -16.680 8.366 -5.227 508 HA GLU 64 HA GLU 64 -14.379 8.570 -6.823 509 1HB GLU 64 2HB GLU 64 -17.160 9.506 -6.866 510 2HB GLU 64 3HB GLU 64 -16.042 10.634 -7.671 511 1HG GLU 64 2HG GLU 64 -15.127 8.769 -9.012 512 2HG GLU 64 3HG GLU 64 -16.239 7.641 -8.207 513 H LYS 65 HN LYS 65 -16.038 11.162 -4.935 514 HA LYS 65 HA LYS 65 -13.938 13.070 -5.427 515 1HB LYS 65 2HB LYS 65 -15.171 14.222 -3.427 516 2HB LYS 65 3HB LYS 65 -16.029 14.024 -4.974 517 1HG LYS 65 2HG LYS 65 -17.642 12.936 -3.826 518 2HG LYS 65 3HG LYS 65 -16.475 11.613 -3.593 519 1HD LYS 65 2HD LYS 65 -16.491 12.034 -1.379 520 2HD LYS 65 3HD LYS 65 -15.809 13.645 -1.707 521 1HE LYS 65 2HE LYS 65 -18.753 13.222 -2.135 522 2HE LYS 65 3HE LYS 65 -18.156 13.355 -0.467 523 1HZ LYS 65 1HZ LYS 65 -17.803 15.492 -0.730 524 2HZ LYS 65 2HZ LYS 65 -17.094 15.325 -2.210 525 3HZ LYS 65 3HZ LYS 65 -18.736 15.403 -2.087 526 H PHE 66 HN PHE 66 -14.682 10.705 -2.877 527 HA PHE 66 HA PHE 66 -12.814 11.669 -0.954 528 1HB PHE 66 2HB PHE 66 -14.253 9.093 -1.498 529 2HB PHE 66 3HB PHE 66 -12.926 9.098 -0.324 530 HD1 PHE 66 HD1 PHE 66 -13.238 11.734 0.960 531 HD2 PHE 66 HD2 PHE 66 -16.204 8.866 -0.235 532 HE1 PHE 66 HE1 PHE 66 -14.778 12.601 2.700 533 HE2 PHE 66 HE2 PHE 66 -17.744 9.733 1.504 534 HZ PHE 66 HZ PHE 66 -17.031 11.601 2.972 535 H ARG 67 HN ARG 67 -12.546 9.470 -3.746 536 HA ARG 67 HA ARG 67 -9.947 8.477 -3.166 537 1HB ARG 67 2HB ARG 67 -11.889 8.084 -5.111 538 2HB ARG 67 3HB ARG 67 -10.560 8.847 -6.016 539 1HG ARG 67 2HG ARG 67 -9.725 6.723 -6.101 540 2HG ARG 67 3HG ARG 67 -9.172 7.080 -4.447 541 1HD ARG 67 2HD ARG 67 -11.964 6.244 -4.460 542 2HD ARG 67 3HD ARG 67 -10.934 5.027 -5.245 543 HE ARG 67 HE ARG 67 -9.716 5.905 -2.810 544 1HH1 ARG 67 2HH2 ARG 67 -12.410 3.986 -4.059 545 2HH1 ARG 67 1HH2 ARG 67 -12.478 2.925 -2.669 546 1HH2 ARG 67 2HH1 ARG 67 -9.806 4.505 -0.974 547 2HH2 ARG 67 1HH1 ARG 67 -10.993 3.221 -0.910 548 H VAL 68 HN VAL 68 -10.915 11.001 -5.564 549 HA VAL 68 HA VAL 68 -8.351 11.909 -6.172 550 HB VAL 68 HB VAL 68 -10.556 12.531 -7.269 551 1HG1 VAL 68 1HG1 VAL 68 -10.667 14.228 -4.758 552 2HG1 VAL 68 2HG1 VAL 68 -11.505 14.723 -6.248 553 3HG1 VAL 68 3HG1 VAL 68 -11.932 13.188 -5.455 554 1HG2 VAL 68 1HG2 VAL 68 -8.614 14.739 -6.465 555 2HG2 VAL 68 2HG2 VAL 68 -8.475 13.663 -7.876 556 3HG2 VAL 68 3HG2 VAL 68 -9.789 14.860 -7.796 557 H TRP 69 HN TRP 69 -10.418 12.613 -3.371 558 HA TRP 69 HA TRP 69 -8.967 14.848 -2.387 559 1HB TRP 69 2HB TRP 69 -10.641 12.717 -1.036 560 2HB TRP 69 3HB TRP 69 -9.981 14.118 -0.183 561 HD1 TRP 69 HD1 TRP 69 -10.845 15.453 -3.390 562 HE1 TRP 69 HE1 TRP 69 -13.147 16.541 -3.445 563 HE3 TRP 69 HE3 TRP 69 -12.764 13.504 0.937 564 HZ2 TRP 69 HZ2 TRP 69 -15.538 16.570 -1.815 565 HZ3 TRP 69 HZ3 TRP 69 -15.053 14.084 1.651 566 HH2 TRP 69 HH2 TRP 69 -16.450 15.612 0.291 567 H ILE 70 HN ILE 70 -8.818 11.374 -1.413 568 HA ILE 70 HA ILE 70 -6.708 11.537 0.380 569 HB ILE 70 HB ILE 70 -7.723 9.428 -1.508 570 1HG1 ILE 70 2HG1 ILE 70 -7.472 8.466 1.105 571 2HG1 ILE 70 3HG1 ILE 70 -7.893 10.181 1.325 572 1HG2 ILE 70 1HG2 ILE 70 -5.083 9.450 -0.036 573 2HG2 ILE 70 2HG2 ILE 70 -5.979 7.924 -0.234 574 3HG2 ILE 70 3HG2 ILE 70 -5.456 8.842 -1.667 575 1HD1 ILE 70 1HD1 ILE 70 -9.708 8.159 0.818 576 2HD1 ILE 70 2HD1 ILE 70 -9.996 9.888 0.508 577 3HD1 ILE 70 3HD1 ILE 70 -9.433 8.829 -0.808 578 H SER 71 HN SER 71 -6.679 11.845 -3.121 579 HA SER 71 HA SER 71 -3.825 11.403 -3.391 580 1HB SER 71 2HB SER 71 -5.260 10.949 -5.277 581 2HB SER 71 3HB SER 71 -5.951 12.588 -5.213 582 HG SER 71 HG SER 71 -3.179 12.159 -5.526 583 H ILE 72 HN ILE 72 -6.014 14.185 -2.982 584 HA ILE 72 HA ILE 72 -4.184 16.250 -3.561 585 HB ILE 72 HB ILE 72 -6.476 16.154 -1.561 586 1HG1 ILE 72 2HG1 ILE 72 -6.473 17.351 -4.346 587 2HG1 ILE 72 3HG1 ILE 72 -6.848 15.631 -4.084 588 1HG2 ILE 72 1HG2 ILE 72 -6.172 18.378 -1.188 589 2HG2 ILE 72 2HG2 ILE 72 -4.513 18.085 -1.762 590 3HG2 ILE 72 3HG2 ILE 72 -5.749 18.697 -2.887 591 1HD1 ILE 72 1HD1 ILE 72 -8.979 16.509 -3.886 592 2HD1 ILE 72 2HD1 ILE 72 -8.449 16.660 -2.194 593 3HD1 ILE 72 3HD1 ILE 72 -8.392 18.074 -3.274 594 H LEU 73 HN LEU 73 -4.686 14.278 -0.639 595 HA LEU 73 HA LEU 73 -2.957 15.877 1.028 596 1HB LEU 73 2HB LEU 73 -3.851 12.981 1.311 597 2HB LEU 73 3HB LEU 73 -3.163 14.005 2.594 598 HG LEU 73 HG LEU 73 -5.462 15.219 1.179 599 1HD1 LEU 73 1HD1 LEU 73 -6.402 13.252 3.154 600 2HD1 LEU 73 2HD1 LEU 73 -7.045 13.639 1.540 601 3HD1 LEU 73 3HD1 LEU 73 -5.694 12.492 1.708 602 1HD2 LEU 73 1HD2 LEU 73 -4.499 16.225 3.175 603 2HD2 LEU 73 2HD2 LEU 73 -6.127 15.626 3.576 604 3HD2 LEU 73 3HD2 LEU 73 -4.690 14.705 4.081 605 H ASN 74 HN ASN 74 -2.287 14.122 -1.692 606 HA ASN 74 HA ASN 74 0.371 13.261 -0.651 607 1HB ASN 74 2HB ASN 74 -1.434 12.214 -2.837 608 2HB ASN 74 3HB ASN 74 0.311 11.877 -2.849 609 1HD2 ASN 74 1HD2 ASN 74 -2.680 10.747 -1.823 610 2HD2 ASN 74 2HD2 ASN 74 -2.153 9.674 -0.545 611 H ALA 75 HN ALA 75 -0.625 15.980 -1.591 612 HA ALA 75 HA ALA 75 0.103 16.769 -4.085 613 1HB ALA 75 1HB ALA 75 -0.613 18.229 -2.157 614 2HB ALA 75 2HB ALA 75 1.062 18.162 -1.558 615 3HB ALA 75 3HB ALA 75 0.711 18.906 -3.136 616 H GLY 76 HN GLY 76 2.585 17.282 -1.561 617 1HA GLY 76 1HA GLY 76 4.684 16.832 -3.534 618 2HA GLY 76 2HA GLY 76 4.890 17.299 -1.830 619 H GLN 77 HN GLN 77 2.757 14.644 -2.297 620 HA GLN 77 HA GLN 77 4.952 12.756 -1.580 621 1HB GLN 77 2HB GLN 77 2.342 13.350 -0.353 622 2HB GLN 77 3HB GLN 77 2.598 11.617 -0.669 623 1HG GLN 77 2HG GLN 77 3.447 12.581 1.589 624 2HG GLN 77 3HG GLN 77 4.546 11.538 0.660 625 1HE2 GLN 77 1HE2 GLN 77 3.613 14.990 0.214 626 2HE2 GLN 77 2HE2 GLN 77 5.239 15.626 0.334 Start of MODEL 9 1 1H ALA 0 1HN ALA -1 1.352 -0.828 0.478 2 2H ALA 0 2HN ALA -1 0.000 0.000 0.000 3 3H ALA 0 3HN ALA -1 1.352 0.000 -0.956 4 HA ALA 0 HA ALA -1 1.321 1.071 1.753 5 1HB ALA 0 1HB ALA -1 3.206 2.338 0.076 6 2HB ALA 0 2HB ALA -1 3.534 1.165 1.374 7 3HB ALA 0 3HB ALA -1 3.319 0.602 -0.301 8 H SER 1 HN SER 1 0.440 1.535 -1.628 9 HA SER 1 HA SER 1 -0.803 3.168 -2.642 10 1HB SER 1 2HB SER 1 -2.303 2.926 -0.704 11 2HB SER 1 3HB SER 1 -1.310 4.081 0.218 12 HG SER 1 HG SER 1 -2.682 5.439 -0.644 13 H PHE 2 HN PHE 2 0.251 4.639 -3.822 14 HA PHE 2 HA PHE 2 1.539 6.902 -2.434 15 1HB PHE 2 2HB PHE 2 3.537 6.600 -3.980 16 2HB PHE 2 3HB PHE 2 3.407 5.467 -2.624 17 HD1 PHE 2 HD1 PHE 2 2.610 5.815 -6.269 18 HD2 PHE 2 HD2 PHE 2 3.479 3.160 -3.005 19 HE1 PHE 2 HE1 PHE 2 2.732 3.909 -7.851 20 HE2 PHE 2 HE2 PHE 2 3.601 1.255 -4.588 21 HZ PHE 2 HZ PHE 2 3.228 1.629 -7.011 22 H ILE 3 HN ILE 3 -0.715 5.930 -4.492 23 HA ILE 3 HA ILE 3 -0.107 8.011 -6.537 24 HB ILE 3 HB ILE 3 -2.223 6.595 -7.536 25 1HG1 ILE 3 2HG1 ILE 3 -1.752 4.204 -7.146 26 2HG1 ILE 3 3HG1 ILE 3 -0.459 4.637 -6.002 27 1HG2 ILE 3 1HG2 ILE 3 0.561 5.498 -7.900 28 2HG2 ILE 3 2HG2 ILE 3 -0.685 5.850 -9.122 29 3HG2 ILE 3 3HG2 ILE 3 0.227 7.181 -8.371 30 1HD1 ILE 3 1HD1 ILE 3 -3.321 5.595 -5.654 31 2HD1 ILE 3 2HD1 ILE 3 -2.747 4.051 -4.981 32 3HD1 ILE 3 3HD1 ILE 3 -2.009 5.581 -4.451 33 H ASP 4 HN ASP 4 -3.240 7.262 -6.960 34 HA ASP 4 HA ASP 4 -4.729 8.314 -4.873 35 1HB ASP 4 2HB ASP 4 -5.021 10.713 -5.863 36 2HB ASP 4 3HB ASP 4 -3.632 10.375 -4.807 37 H ASN 5 HN ASN 5 -6.784 7.844 -5.403 38 HA ASN 5 HA ASN 5 -8.502 7.065 -6.729 39 1HB ASN 5 2HB ASN 5 -8.101 9.232 -8.708 40 2HB ASN 5 3HB ASN 5 -9.521 8.837 -7.716 41 1HD2 ASN 5 1HD2 ASN 5 -8.028 8.813 -5.175 42 2HD2 ASN 5 2HD2 ASN 5 -7.686 10.486 -4.790 43 H THR 6 HN THR 6 -5.643 6.257 -7.468 44 HA THR 6 HA THR 6 -5.791 5.934 -10.371 45 HB THR 6 HB THR 6 -3.672 4.574 -9.920 46 HG1 THR 6 HG1 THR 6 -4.171 5.631 -7.331 47 1HG2 THR 6 1HG2 THR 6 -3.926 7.126 -10.427 48 2HG2 THR 6 2HG2 THR 6 -3.526 7.344 -8.706 49 3HG2 THR 6 3HG2 THR 6 -2.371 6.537 -9.793 50 H CYS 7 HN CYS 7 -7.936 4.813 -10.217 51 HA CYS 7 HA CYS 7 -7.765 2.032 -9.238 52 1HB CYS 7 2HB CYS 7 -9.901 3.984 -9.914 53 2HB CYS 7 3HB CYS 7 -10.251 2.290 -10.295 54 H ARG 8 HN ARG 8 -9.964 1.538 -11.394 55 HA ARG 8 HA ARG 8 -8.901 1.703 -13.967 56 1HB ARG 8 2HB ARG 8 -6.971 0.470 -13.444 57 2HB ARG 8 3HB ARG 8 -7.848 -0.619 -12.343 58 1HG ARG 8 2HG ARG 8 -7.415 -1.855 -14.371 59 2HG ARG 8 3HG ARG 8 -9.148 -1.449 -14.363 60 1HD ARG 8 2HD ARG 8 -8.918 -0.339 -16.304 61 2HD ARG 8 3HD ARG 8 -7.702 0.727 -15.566 62 HE ARG 8 HE ARG 8 -5.986 -0.924 -16.223 63 1HH1 ARG 8 2HH2 ARG 8 -9.188 -1.113 -17.712 64 2HH1 ARG 8 1HH2 ARG 8 -8.627 -1.968 -19.132 65 1HH2 ARG 8 2HH1 ARG 8 -5.246 -2.053 -18.099 66 2HH2 ARG 8 1HH1 ARG 8 -6.380 -2.503 -19.353 67 H GLY 9 HN GLY 9 -10.625 -0.190 -11.518 68 1HA GLY 9 1HA GLY 9 -12.450 -1.224 -13.626 69 2HA GLY 9 2HA GLY 9 -12.287 -1.865 -11.975 70 H VAL 10 HN VAL 10 -12.107 1.317 -11.417 71 HA VAL 10 HA VAL 10 -14.562 1.613 -10.168 72 HB VAL 10 HB VAL 10 -12.692 3.146 -9.828 73 1HG1 VAL 10 1HG1 VAL 10 -11.546 3.655 -11.728 74 2HG1 VAL 10 2HG1 VAL 10 -12.975 3.419 -12.763 75 3HG1 VAL 10 3HG1 VAL 10 -12.741 4.962 -11.905 76 1HG2 VAL 10 1HG2 VAL 10 -13.954 5.126 -9.608 77 2HG2 VAL 10 2HG2 VAL 10 -14.879 4.813 -11.097 78 3HG2 VAL 10 3HG2 VAL 10 -15.200 3.855 -9.631 79 H MET 11 HN MET 11 -13.903 1.478 -13.546 80 HA MET 11 HA MET 11 -16.336 2.964 -14.278 81 1HB MET 11 2HB MET 11 -15.601 2.466 -16.589 82 2HB MET 11 3HB MET 11 -14.301 3.221 -15.636 83 1HG MET 11 2HG MET 11 -13.011 1.358 -15.676 84 2HG MET 11 3HG MET 11 -14.396 0.275 -15.454 85 1HE MET 11 1HE MET 11 -15.322 -1.000 -16.718 86 2HE MET 11 2HE MET 11 -15.979 -0.487 -18.290 87 3HE MET 11 3HE MET 11 -14.600 -1.610 -18.226 88 H GLY 12 HN GLY 12 -15.161 -0.333 -13.841 89 1HA GLY 12 1HA GLY 12 -17.536 -1.476 -15.152 90 2HA GLY 12 2HA GLY 12 -16.168 -2.365 -14.445 91 H ASN 13 HN ASN 13 -16.026 -1.319 -11.886 92 HA ASN 13 HA ASN 13 -17.831 -2.821 -10.432 93 1HB ASN 13 2HB ASN 13 -16.477 -0.199 -9.705 94 2HB ASN 13 3HB ASN 13 -17.282 -1.269 -8.537 95 1HD2 ASN 13 1HD2 ASN 13 -14.692 -1.168 -11.026 96 2HD2 ASN 13 2HD2 ASN 13 -13.681 -2.386 -10.278 97 H ARG 14 HN ARG 14 -18.053 0.771 -10.731 98 HA ARG 14 HA ARG 14 -19.884 2.141 -10.440 99 1HB ARG 14 2HB ARG 14 -21.026 0.028 -12.310 100 2HB ARG 14 3HB ARG 14 -21.706 1.653 -12.051 101 1HG ARG 14 2HG ARG 14 -19.729 2.709 -12.940 102 2HG ARG 14 3HG ARG 14 -18.843 1.165 -12.963 103 1HD ARG 14 2HD ARG 14 -21.357 1.748 -14.579 104 2HD ARG 14 3HD ARG 14 -19.702 1.844 -15.218 105 HE ARG 14 HE ARG 14 -20.212 -0.715 -13.990 106 1HH1 ARG 14 2HH2 ARG 14 -20.789 1.237 -16.881 107 2HH1 ARG 14 1HH2 ARG 14 -20.962 -0.142 -17.944 108 1HH2 ARG 14 2HH1 ARG 14 -20.440 -2.536 -15.395 109 2HH2 ARG 14 1HH1 ARG 14 -20.763 -2.293 -17.097 110 H ASP 15 HN ASP 15 -19.606 -0.368 -8.646 111 HA ASP 15 HA ASP 15 -22.371 -0.190 -7.567 112 1HB ASP 15 2HB ASP 15 -21.046 -2.513 -8.683 113 2HB ASP 15 3HB ASP 15 -21.361 -2.760 -6.952 114 H ILE 16 HN ILE 16 -18.895 -0.799 -7.089 115 HA ILE 16 HA ILE 16 -19.218 -0.716 -4.165 116 HB ILE 16 HB ILE 16 -16.614 -0.807 -5.706 117 1HG1 ILE 16 2HG1 ILE 16 -18.444 -3.147 -5.020 118 2HG1 ILE 16 3HG1 ILE 16 -18.159 -2.512 -6.658 119 1HG2 ILE 16 1HG2 ILE 16 -17.223 -2.382 -3.233 120 2HG2 ILE 16 2HG2 ILE 16 -15.722 -1.557 -3.718 121 3HG2 ILE 16 3HG2 ILE 16 -17.080 -0.616 -3.056 122 1HD1 ILE 16 1HD1 ILE 16 -15.590 -2.893 -5.550 123 2HD1 ILE 16 2HD1 ILE 16 -16.524 -4.333 -5.077 124 3HD1 ILE 16 3HD1 ILE 16 -16.378 -3.891 -6.795 125 H TYR 17 HN TYR 17 -18.850 1.456 -6.763 126 HA TYR 17 HA TYR 17 -17.181 3.396 -5.389 127 1HB TYR 17 2HB TYR 17 -17.575 3.006 -7.940 128 2HB TYR 17 3HB TYR 17 -19.031 3.985 -7.695 129 HD1 TYR 17 HD1 TYR 17 -18.910 6.327 -7.692 130 HD2 TYR 17 HD2 TYR 17 -15.320 4.017 -7.214 131 HE1 TYR 17 HE1 TYR 17 -17.554 8.394 -7.888 132 HE2 TYR 17 HE2 TYR 17 -13.964 6.084 -7.409 133 HH TYR 17 HH TYR 17 -15.048 8.961 -8.607 134 H LYS 18 HN LYS 18 -20.622 2.654 -5.677 135 HA LYS 18 HA LYS 18 -21.485 5.209 -4.595 136 1HB LYS 18 2HB LYS 18 -22.925 2.554 -4.976 137 2HB LYS 18 3HB LYS 18 -23.702 4.091 -4.525 138 1HG LYS 18 2HG LYS 18 -23.183 5.096 -6.613 139 2HG LYS 18 3HG LYS 18 -21.971 3.853 -7.006 140 1HD LYS 18 2HD LYS 18 -23.895 3.306 -8.316 141 2HD LYS 18 3HD LYS 18 -23.908 2.164 -6.950 142 1HE LYS 18 2HE LYS 18 -25.276 4.512 -6.089 143 2HE LYS 18 3HE LYS 18 -25.901 4.114 -7.704 144 1HZ LYS 18 1HZ LYS 18 -26.112 1.806 -6.817 145 2HZ LYS 18 2HZ LYS 18 -25.874 2.435 -5.311 146 3HZ LYS 18 3HZ LYS 18 -27.168 2.919 -6.212 147 H LYS 19 HN LYS 19 -21.159 1.838 -3.381 148 HA LYS 19 HA LYS 19 -22.109 2.354 -0.763 149 1HB LYS 19 2HB LYS 19 -19.984 0.334 -1.555 150 2HB LYS 19 3HB LYS 19 -21.139 0.232 -0.205 151 1HG LYS 19 2HG LYS 19 -23.013 0.069 -1.751 152 2HG LYS 19 3HG LYS 19 -21.941 0.355 -3.142 153 1HD LYS 19 2HD LYS 19 -22.021 -2.060 -1.298 154 2HD LYS 19 3HD LYS 19 -22.273 -2.013 -3.060 155 1HE LYS 19 2HE LYS 19 -19.758 -0.843 -2.706 156 2HE LYS 19 3HE LYS 19 -19.777 -2.173 -1.529 157 1HZ LYS 19 1HZ LYS 19 -20.686 -2.642 -4.249 158 2HZ LYS 19 2HZ LYS 19 -19.068 -2.596 -3.931 159 3HZ LYS 19 3HZ LYS 19 -20.028 -3.698 -3.165 160 H VAL 20 HN VAL 20 -18.785 2.390 -2.138 161 HA VAL 20 HA VAL 20 -17.404 2.963 0.242 162 HB VAL 20 HB VAL 20 -15.701 3.982 -1.329 163 1HG1 VAL 20 1HG1 VAL 20 -16.894 1.262 -1.458 164 2HG1 VAL 20 2HG1 VAL 20 -15.843 1.694 -2.828 165 3HG1 VAL 20 3HG1 VAL 20 -15.209 1.757 -1.166 166 1HG2 VAL 20 1HG2 VAL 20 -16.966 4.960 -3.059 167 2HG2 VAL 20 2HG2 VAL 20 -16.342 3.474 -3.814 168 3HG2 VAL 20 3HG2 VAL 20 -18.019 3.535 -3.223 169 H VAL 21 HN VAL 21 -18.037 5.395 -2.341 170 HA VAL 21 HA VAL 21 -17.527 7.680 -0.932 171 HB VAL 21 HB VAL 21 -18.409 7.256 -3.378 172 1HG1 VAL 21 1HG1 VAL 21 -20.660 7.189 -3.705 173 2HG1 VAL 21 2HG1 VAL 21 -20.737 6.718 -1.991 174 3HG1 VAL 21 3HG1 VAL 21 -20.968 8.420 -2.457 175 1HG2 VAL 21 1HG2 VAL 21 -17.605 9.420 -2.334 176 2HG2 VAL 21 2HG2 VAL 21 -18.858 9.627 -3.582 177 3HG2 VAL 21 3HG2 VAL 21 -19.290 9.744 -1.859 178 H ARG 22 HN ARG 22 -20.185 5.449 -0.456 179 HA ARG 22 HA ARG 22 -21.758 7.340 1.123 180 1HB ARG 22 2HB ARG 22 -22.653 5.412 -0.322 181 2HB ARG 22 3HB ARG 22 -22.087 4.329 0.972 182 1HG ARG 22 2HG ARG 22 -24.194 4.722 1.799 183 2HG ARG 22 3HG ARG 22 -23.402 6.167 2.470 184 1HD ARG 22 2HD ARG 22 -24.811 7.457 1.286 185 2HD ARG 22 3HD ARG 22 -24.122 6.793 -0.211 186 HE ARG 22 HE ARG 22 -26.009 4.938 0.832 187 1HH1 ARG 22 2HH2 ARG 22 -25.826 8.151 -0.632 188 2HH1 ARG 22 1HH2 ARG 22 -27.418 8.063 -1.352 189 1HH2 ARG 22 2HH1 ARG 22 -28.111 4.822 -0.119 190 2HH2 ARG 22 1HH1 ARG 22 -28.721 6.165 -1.060 191 H VAL 23 HN VAL 23 -19.602 4.529 1.665 192 HA VAL 23 HA VAL 23 -19.973 4.297 4.451 193 HB VAL 23 HB VAL 23 -18.557 2.948 2.576 194 1HG1 VAL 23 1HG1 VAL 23 -16.481 4.442 4.231 195 2HG1 VAL 23 2HG1 VAL 23 -16.171 3.211 2.984 196 3HG1 VAL 23 3HG1 VAL 23 -16.843 4.794 2.525 197 1HG2 VAL 23 1HG2 VAL 23 -17.250 2.192 4.890 198 2HG2 VAL 23 2HG2 VAL 23 -18.695 3.010 5.531 199 3HG2 VAL 23 3HG2 VAL 23 -18.873 1.639 4.411 200 H CYS 24 HN CYS 24 -17.685 6.299 2.536 201 HA CYS 24 HA CYS 24 -16.320 7.400 4.779 202 1HB CYS 24 2HB CYS 24 -15.616 7.402 2.345 203 2HB CYS 24 3HB CYS 24 -16.795 8.696 2.080 204 H GLU 25 HN GLU 25 -19.037 8.657 2.767 205 HA GLU 25 HA GLU 25 -19.498 11.100 3.857 206 1HB GLU 25 2HB GLU 25 -21.358 8.881 3.022 207 2HB GLU 25 3HB GLU 25 -22.026 10.382 3.707 208 1HG GLU 25 2HG GLU 25 -19.943 10.979 1.769 209 2HG GLU 25 3HG GLU 25 -21.187 9.939 1.042 210 H ASP 26 HN ASP 26 -20.527 7.978 5.326 211 HA ASP 26 HA ASP 26 -21.761 9.081 7.614 212 1HB ASP 26 2HB ASP 26 -21.357 6.569 6.575 213 2HB ASP 26 3HB ASP 26 -20.294 6.544 7.999 214 H CYS 27 HN CYS 27 -18.446 7.670 7.313 215 HA CYS 27 HA CYS 27 -17.547 8.430 9.861 216 1HB CYS 27 2HB CYS 27 -15.430 7.845 9.104 217 2HB CYS 27 3HB CYS 27 -16.496 6.916 8.037 218 H THR 28 HN THR 28 -17.144 10.144 6.709 219 HA THR 28 HA THR 28 -15.732 12.352 7.485 220 HB THR 28 HB THR 28 -18.176 12.228 5.678 221 HG1 THR 28 HG1 THR 28 -16.794 11.248 4.466 222 1HG2 THR 28 1HG2 THR 28 -15.955 14.289 5.590 223 2HG2 THR 28 2HG2 THR 28 -17.557 14.346 4.817 224 3HG2 THR 28 3HG2 THR 28 -17.412 14.543 6.580 225 H ASN 29 HN ASN 29 -19.087 11.561 8.294 226 HA ASN 29 HA ASN 29 -19.671 14.189 9.380 227 1HB ASN 29 2HB ASN 29 -21.096 11.550 9.864 228 2HB ASN 29 3HB ASN 29 -21.755 13.187 10.068 229 1HD2 ASN 29 1HD2 ASN 29 -22.563 10.842 8.303 230 2HD2 ASN 29 2HD2 ASN 29 -22.628 11.511 6.687 231 H ILE 30 HN ILE 30 -18.606 11.018 10.626 232 HA ILE 30 HA ILE 30 -18.898 11.530 13.379 233 HB ILE 30 HB ILE 30 -17.134 9.768 11.692 234 1HG1 ILE 30 2HG1 ILE 30 -18.330 8.032 13.052 235 2HG1 ILE 30 3HG1 ILE 30 -19.215 9.337 13.877 236 1HG2 ILE 30 1HG2 ILE 30 -16.621 8.907 14.248 237 2HG2 ILE 30 2HG2 ILE 30 -15.518 9.928 13.295 238 3HG2 ILE 30 3HG2 ILE 30 -16.624 10.672 14.474 239 1HD1 ILE 30 1HD1 ILE 30 -19.270 8.668 10.906 240 2HD1 ILE 30 2HD1 ILE 30 -20.609 8.513 12.069 241 3HD1 ILE 30 3HD1 ILE 30 -20.010 10.125 11.611 242 H PHE 31 HN PHE 31 -16.063 12.077 11.216 243 HA PHE 31 HA PHE 31 -14.737 13.583 13.372 244 1HB PHE 31 2HB PHE 31 -13.704 13.240 10.564 245 2HB PHE 31 3HB PHE 31 -12.798 13.416 12.077 246 HD1 PHE 31 HD1 PHE 31 -12.899 11.484 13.767 247 HD2 PHE 31 HD2 PHE 31 -14.156 11.114 9.676 248 HE1 PHE 31 HE1 PHE 31 -12.677 9.019 13.922 249 HE2 PHE 31 HE2 PHE 31 -13.934 8.649 9.831 250 HZ PHE 31 HZ PHE 31 -13.195 7.601 11.954 251 H ARG 32 HN ARG 32 -16.694 14.083 10.537 252 HA ARG 32 HA ARG 32 -17.584 16.018 9.679 253 1HB ARG 32 2HB ARG 32 -16.679 16.772 12.317 254 2HB ARG 32 3HB ARG 32 -16.364 18.102 11.177 255 1HG ARG 32 2HG ARG 32 -18.997 16.760 10.857 256 2HG ARG 32 3HG ARG 32 -18.785 17.659 12.379 257 1HD ARG 32 2HD ARG 32 -17.704 19.177 10.154 258 2HD ARG 32 3HD ARG 32 -19.387 18.716 9.818 259 HE ARG 32 HE ARG 32 -18.464 20.274 12.193 260 1HH1 ARG 32 2HH2 ARG 32 -20.955 19.221 9.915 261 2HH1 ARG 32 1HH2 ARG 32 -22.171 20.321 10.524 262 1HH2 ARG 32 2HH1 ARG 32 -20.071 21.727 12.998 263 2HH2 ARG 32 1HH1 ARG 32 -21.667 21.750 12.282 264 H LEU 33 HN LEU 33 -14.138 15.799 10.404 265 HA LEU 33 HA LEU 33 -12.997 17.843 8.994 266 1HB LEU 33 2HB LEU 33 -12.286 14.908 9.197 267 2HB LEU 33 3HB LEU 33 -11.260 16.048 8.293 268 HG LEU 33 HG LEU 33 -11.475 17.518 10.478 269 1HD1 LEU 33 1HD1 LEU 33 -12.863 15.106 11.205 270 2HD1 LEU 33 2HD1 LEU 33 -11.370 15.206 12.170 271 3HD1 LEU 33 3HD1 LEU 33 -12.544 16.544 12.205 272 1HD2 LEU 33 1HD2 LEU 33 -9.753 15.089 9.966 273 2HD2 LEU 33 2HD2 LEU 33 -9.317 16.813 9.896 274 3HD2 LEU 33 3HD2 LEU 33 -9.551 16.017 11.471 275 HA PRO 34 HA PRO 34 -14.756 17.403 4.934 276 1HB PRO 34 2HB PRO 34 -13.533 19.557 3.799 277 2HB PRO 34 3HB PRO 34 -14.810 19.743 5.045 278 1HG PRO 34 2HG PRO 34 -11.809 19.762 5.473 279 2HG PRO 34 3HG PRO 34 -12.995 20.988 6.028 280 1HD PRO 34 2HD PRO 34 -12.150 18.983 7.669 281 2HD PRO 34 3HD PRO 34 -13.864 19.498 7.674 282 H GLY 35 HN GLY 35 -11.297 17.675 5.738 283 1HA GLY 35 1HA GLY 35 -10.457 16.666 3.124 284 2HA GLY 35 2HA GLY 35 -9.419 17.036 4.519 285 H LEU 36 HN LEU 36 -12.073 14.753 3.627 286 HA LEU 36 HA LEU 36 -10.371 12.518 4.522 287 1HB LEU 36 2HB LEU 36 -11.774 13.366 6.482 288 2HB LEU 36 3HB LEU 36 -13.205 12.843 5.560 289 HG LEU 36 HG LEU 36 -11.898 10.574 5.329 290 1HD1 LEU 36 1HD1 LEU 36 -9.850 10.654 6.299 291 2HD1 LEU 36 2HD1 LEU 36 -10.239 12.150 7.182 292 3HD1 LEU 36 3HD1 LEU 36 -10.721 10.572 7.850 293 1HD2 LEU 36 1HD2 LEU 36 -12.833 11.175 8.136 294 2HD2 LEU 36 2HD2 LEU 36 -13.985 11.273 6.783 295 3HD2 LEU 36 3HD2 LEU 36 -13.145 9.742 7.127 296 H ASP 37 HN ASP 37 -13.514 13.622 3.183 297 HA ASP 37 HA ASP 37 -14.513 11.342 2.060 298 1HB ASP 37 2HB ASP 37 -15.337 13.774 1.899 299 2HB ASP 37 3HB ASP 37 -14.282 13.914 0.476 300 H GLY 38 HN GLY 38 -12.182 13.519 0.354 301 1HA GLY 38 1HA GLY 38 -11.704 11.953 -1.878 302 2HA GLY 38 2HA GLY 38 -10.487 13.003 -1.117 303 H MET 39 HN MET 39 -9.631 11.962 1.084 304 HA MET 39 HA MET 39 -7.932 9.914 0.543 305 1HB MET 39 2HB MET 39 -9.392 10.665 3.083 306 2HB MET 39 3HB MET 39 -8.227 9.320 3.059 307 1HG MET 39 2HG MET 39 -6.463 10.710 2.944 308 2HG MET 39 3HG MET 39 -7.215 11.684 1.669 309 1HE MET 39 1HE MET 39 -6.694 11.864 5.932 310 2HE MET 39 2HE MET 39 -8.473 11.886 5.983 311 3HE MET 39 3HE MET 39 -7.623 10.568 5.142 312 H CYS 40 HN CYS 40 -11.116 9.378 2.163 313 HA CYS 40 HA CYS 40 -11.185 6.644 2.212 314 1HB CYS 40 2HB CYS 40 -13.483 8.418 1.331 315 2HB CYS 40 3HB CYS 40 -13.605 6.815 2.076 316 H ARG 41 HN ARG 41 -12.139 8.707 -0.586 317 HA ARG 41 HA ARG 41 -12.056 6.270 -2.286 318 1HB ARG 41 2HB ARG 41 -13.019 8.430 -3.792 319 2HB ARG 41 3HB ARG 41 -13.990 7.141 -3.041 320 1HG ARG 41 2HG ARG 41 -14.981 8.896 -1.955 321 2HG ARG 41 3HG ARG 41 -13.568 8.752 -0.881 322 1HD ARG 41 2HD ARG 41 -13.804 11.078 -1.555 323 2HD ARG 41 3HD ARG 41 -12.360 10.398 -2.336 324 HE ARG 41 HE ARG 41 -14.836 10.284 -3.914 325 1HH1 ARG 41 2HH2 ARG 41 -11.856 12.013 -3.120 326 2HH1 ARG 41 1HH2 ARG 41 -11.819 12.915 -4.619 327 1HH2 ARG 41 2HH1 ARG 41 -14.786 11.476 -5.893 328 2HH2 ARG 41 1HH1 ARG 41 -13.489 12.608 -6.200 329 H ASN 42 HN ASN 42 -9.610 7.437 -1.331 330 HA ASN 42 HA ASN 42 -8.584 8.841 -3.739 331 1HB ASN 42 2HB ASN 42 -8.278 9.779 -1.384 332 2HB ASN 42 3HB ASN 42 -7.186 8.411 -1.082 333 1HD2 ASN 42 1HD2 ASN 42 -5.297 8.151 -2.531 334 2HD2 ASN 42 2HD2 ASN 42 -4.565 9.582 -3.225 335 H ARG 43 HN ARG 43 -6.076 8.228 -4.007 336 HA ARG 43 HA ARG 43 -5.034 6.515 -5.271 337 1HB ARG 43 2HB ARG 43 -4.022 4.951 -3.416 338 2HB ARG 43 3HB ARG 43 -3.614 6.684 -3.427 339 1HG ARG 43 2HG ARG 43 -6.064 6.376 -1.974 340 2HG ARG 43 3HG ARG 43 -4.915 5.164 -1.358 341 1HD ARG 43 2HD ARG 43 -3.411 6.760 -0.620 342 2HD ARG 43 3HD ARG 43 -3.900 7.945 -1.850 343 HE ARG 43 HE ARG 43 -5.801 7.282 0.331 344 1HH1 ARG 43 2HH2 ARG 43 -3.574 9.535 -1.239 345 2HH1 ARG 43 1HH2 ARG 43 -4.153 10.933 -0.360 346 1HH2 ARG 43 2HH1 ARG 43 -6.565 9.128 1.492 347 2HH2 ARG 43 1HH1 ARG 43 -5.859 10.701 1.197 348 H CYS 44 HN CYS 44 -7.629 5.970 -5.752 349 HA CYS 44 HA CYS 44 -9.130 4.298 -6.201 350 1HB CYS 44 2HB CYS 44 -7.197 3.483 -7.475 351 2HB CYS 44 3HB CYS 44 -6.594 2.636 -6.041 352 H PHE 45 HN PHE 45 -9.565 4.980 -3.728 353 HA PHE 45 HA PHE 45 -9.967 4.302 -1.543 354 1HB PHE 45 2HB PHE 45 -11.042 1.902 -3.056 355 2HB PHE 45 3HB PHE 45 -11.596 2.515 -1.489 356 HD1 PHE 45 HD1 PHE 45 -11.101 3.752 -5.008 357 HD2 PHE 45 HD2 PHE 45 -13.524 3.790 -1.462 358 HE1 PHE 45 HE1 PHE 45 -12.760 5.193 -6.158 359 HE2 PHE 45 HE2 PHE 45 -15.183 5.231 -2.611 360 HZ PHE 45 HZ PHE 45 -14.801 5.932 -4.959 361 H TYR 46 HN TYR 46 -7.295 3.542 -2.529 362 HA TYR 46 HA TYR 46 -6.926 1.012 -0.995 363 1HB TYR 46 2HB TYR 46 -6.291 1.378 -3.568 364 2HB TYR 46 3HB TYR 46 -4.836 2.085 -2.845 365 HD1 TYR 46 HD1 TYR 46 -3.191 0.720 -1.743 366 HD2 TYR 46 HD2 TYR 46 -6.848 -1.006 -3.194 367 HE1 TYR 46 HE1 TYR 46 -2.246 -1.551 -1.425 368 HE2 TYR 46 HE2 TYR 46 -5.903 -3.276 -2.875 369 HH TYR 46 HH TYR 46 -3.972 -4.326 -1.302 370 H ASN 47 HN ASN 47 -6.984 2.352 0.974 371 HA ASN 47 HA ASN 47 -4.315 3.089 1.771 372 1HB ASN 47 2HB ASN 47 -5.412 5.099 0.411 373 2HB ASN 47 3HB ASN 47 -6.229 5.391 1.961 374 1HD2 ASN 47 1HD2 ASN 47 -3.177 5.429 0.220 375 2HD2 ASN 47 2HD2 ASN 47 -2.226 6.187 1.478 376 H GLU 48 HN GLU 48 -6.563 1.309 2.510 377 HA GLU 48 HA GLU 48 -7.732 0.646 4.370 378 1HB GLU 48 2HB GLU 48 -6.494 0.685 6.376 379 2HB GLU 48 3HB GLU 48 -5.249 0.777 5.107 380 1HG GLU 48 2HG GLU 48 -4.739 2.973 5.571 381 2HG GLU 48 3HG GLU 48 -6.397 3.363 6.078 382 H TRP 49 HN TRP 49 -7.599 3.844 3.440 383 HA TRP 49 HA TRP 49 -8.727 5.276 5.574 384 1HB TRP 49 2HB TRP 49 -8.753 5.477 2.589 385 2HB TRP 49 3HB TRP 49 -9.883 6.486 3.503 386 HD1 TRP 49 HD1 TRP 49 -6.955 7.079 1.821 387 HE1 TRP 49 HE1 TRP 49 -5.380 8.767 2.896 388 HE3 TRP 49 HE3 TRP 49 -8.835 7.018 6.581 389 HZ2 TRP 49 HZ2 TRP 49 -4.975 9.953 5.505 390 HZ3 TRP 49 HZ3 TRP 49 -7.829 8.438 8.331 391 HH2 TRP 49 HH2 TRP 49 -5.903 9.907 7.811 392 H PHE 50 HN PHE 50 -10.016 2.657 3.754 393 HA PHE 50 HA PHE 50 -12.811 3.390 4.055 394 1HB PHE 50 2HB PHE 50 -11.525 1.760 2.373 395 2HB PHE 50 3HB PHE 50 -11.908 0.569 3.628 396 HD1 PHE 50 HD1 PHE 50 -13.377 3.010 1.238 397 HD2 PHE 50 HD2 PHE 50 -14.121 -0.268 3.913 398 HE1 PHE 50 HE1 PHE 50 -15.671 2.785 0.325 399 HE2 PHE 50 HE2 PHE 50 -16.416 -0.492 2.999 400 HZ PHE 50 HZ PHE 50 -17.191 1.034 1.205 401 H LEU 51 HN LEU 51 -10.346 1.779 5.957 402 HA LEU 51 HA LEU 51 -12.243 0.437 7.711 403 1HB LEU 51 2HB LEU 51 -9.942 -0.418 7.236 404 2HB LEU 51 3HB LEU 51 -9.275 1.001 8.079 405 HG LEU 51 HG LEU 51 -11.286 -0.142 9.767 406 1HD1 LEU 51 1HD1 LEU 51 -9.990 -2.108 8.102 407 2HD1 LEU 51 2HD1 LEU 51 -9.407 -2.297 9.774 408 3HD1 LEU 51 3HD1 LEU 51 -11.152 -2.365 9.426 409 1HD2 LEU 51 1HD2 LEU 51 -8.304 0.275 9.771 410 2HD2 LEU 51 2HD2 LEU 51 -9.546 0.969 10.840 411 3HD2 LEU 51 3HD2 LEU 51 -9.030 -0.721 11.054 412 H ILE 52 HN ILE 52 -10.364 3.462 7.656 413 HA ILE 52 HA ILE 52 -10.736 4.231 10.346 414 HB ILE 52 HB ILE 52 -10.511 5.896 7.809 415 1HG1 ILE 52 2HG1 ILE 52 -8.128 6.137 8.931 416 2HG1 ILE 52 3HG1 ILE 52 -8.574 4.612 9.732 417 1HG2 ILE 52 1HG2 ILE 52 -10.187 7.788 9.145 418 2HG2 ILE 52 2HG2 ILE 52 -11.463 6.933 10.044 419 3HG2 ILE 52 3HG2 ILE 52 -9.771 6.826 10.584 420 1HD1 ILE 52 1HD1 ILE 52 -8.022 3.496 7.855 421 2HD1 ILE 52 2HD1 ILE 52 -9.313 4.362 6.987 422 3HD1 ILE 52 3HD1 ILE 52 -7.663 5.029 7.025 423 H CYS 53 HN CYS 53 -12.786 4.691 7.440 424 HA CYS 53 HA CYS 53 -14.777 6.224 8.875 425 1HB CYS 53 2HB CYS 53 -14.760 4.808 6.193 426 2HB CYS 53 3HB CYS 53 -16.112 5.788 6.783 427 H LEU 54 HN LEU 54 -14.617 2.865 7.568 428 HA LEU 54 HA LEU 54 -17.096 1.951 8.420 429 1HB LEU 54 2HB LEU 54 -14.425 0.741 7.883 430 2HB LEU 54 3HB LEU 54 -15.570 -0.251 8.819 431 HG LEU 54 HG LEU 54 -16.559 1.171 6.356 432 1HD1 LEU 54 1HD1 LEU 54 -15.309 -1.578 6.181 433 2HD1 LEU 54 2HD1 LEU 54 -15.704 -0.441 4.870 434 3HD1 LEU 54 3HD1 LEU 54 -14.318 -0.120 5.939 435 1HD2 LEU 54 1HD2 LEU 54 -18.366 -0.022 6.994 436 2HD2 LEU 54 2HD2 LEU 54 -17.469 -1.493 6.550 437 3HD2 LEU 54 3HD2 LEU 54 -17.420 -0.893 8.225 438 H LYS 55 HN LYS 55 -14.262 2.774 10.316 439 HA LYS 55 HA LYS 55 -15.086 1.315 12.681 440 1HB LYS 55 2HB LYS 55 -12.874 3.055 11.816 441 2HB LYS 55 3HB LYS 55 -13.354 3.310 13.511 442 1HG LYS 55 2HG LYS 55 -12.466 1.329 14.139 443 2HG LYS 55 3HG LYS 55 -13.310 0.468 12.830 444 1HD LYS 55 2HD LYS 55 -11.336 0.253 11.763 445 2HD LYS 55 3HD LYS 55 -11.279 2.023 11.589 446 1HE LYS 55 2HE LYS 55 -9.504 2.049 12.970 447 2HE LYS 55 3HE LYS 55 -10.568 1.483 14.276 448 1HZ LYS 55 1HZ LYS 55 -10.128 -0.783 13.277 449 2HZ LYS 55 2HZ LYS 55 -8.843 -0.077 12.520 450 3HZ LYS 55 3HZ LYS 55 -8.930 -0.081 14.168 451 H ALA 56 HN ALA 56 -15.165 4.752 11.614 452 HA ALA 56 HA ALA 56 -16.372 5.788 13.951 453 1HB ALA 56 1HB ALA 56 -15.367 6.852 11.675 454 2HB ALA 56 2HB ALA 56 -17.106 6.970 11.313 455 3HB ALA 56 3HB ALA 56 -16.445 7.747 12.772 456 H ALA 57 HN ALA 57 -17.568 3.503 11.789 457 HA ALA 57 HA ALA 57 -20.385 4.303 12.339 458 1HB ALA 57 1HB ALA 57 -20.755 2.517 10.454 459 2HB ALA 57 2HB ALA 57 -20.194 4.148 10.014 460 3HB ALA 57 3HB ALA 57 -19.035 2.800 10.097 461 H ASN 58 HN ASN 58 -18.072 2.592 13.772 462 HA ASN 58 HA ASN 58 -18.090 0.846 15.253 463 1HB ASN 58 2HB ASN 58 -19.996 1.344 16.393 464 2HB ASN 58 3HB ASN 58 -20.961 1.524 14.912 465 1HD2 ASN 58 1HD2 ASN 58 -21.381 -0.589 13.681 466 2HD2 ASN 58 2HD2 ASN 58 -21.767 -1.994 14.651 467 H ARG 59 HN ARG 59 -19.561 0.580 12.110 468 HA ARG 59 HA ARG 59 -20.129 -2.107 11.838 469 1HB ARG 59 2HB ARG 59 -19.118 0.055 10.058 470 2HB ARG 59 3HB ARG 59 -18.905 -1.610 9.467 471 1HG ARG 59 2HG ARG 59 -21.236 -2.060 9.559 472 2HG ARG 59 3HG ARG 59 -21.552 -0.648 10.596 473 1HD ARG 59 2HD ARG 59 -21.044 0.876 8.781 474 2HD ARG 59 3HD ARG 59 -20.492 -0.460 7.750 475 HE ARG 59 HE ARG 59 -22.763 -1.186 7.497 476 1HH1 ARG 59 2HH2 ARG 59 -22.355 1.821 9.313 477 2HH1 ARG 59 1HH2 ARG 59 -24.018 2.327 9.114 478 1HH2 ARG 59 2HH1 ARG 59 -24.960 -0.516 7.234 479 2HH2 ARG 59 1HH1 ARG 59 -25.503 0.995 7.929 480 H GLU 60 HN GLU 60 -16.957 -0.771 10.769 481 HA GLU 60 HA GLU 60 -14.990 -1.988 10.456 482 1HB GLU 60 2HB GLU 60 -14.953 -0.842 12.713 483 2HB GLU 60 3HB GLU 60 -15.424 -2.399 13.436 484 1HG GLU 60 2HG GLU 60 -13.411 -3.446 12.788 485 2HG GLU 60 3HG GLU 60 -13.052 -2.207 11.566 486 H ASP 61 HN ASP 61 -17.282 -3.626 9.863 487 HA ASP 61 HA ASP 61 -16.200 -6.263 10.732 488 1HB ASP 61 2HB ASP 61 -18.825 -5.125 11.159 489 2HB ASP 61 3HB ASP 61 -18.948 -6.547 10.100 490 H GLU 62 HN GLU 62 -17.921 -4.323 8.270 491 HA GLU 62 HA GLU 62 -17.600 -6.476 6.290 492 1HB GLU 62 2HB GLU 62 -18.778 -3.677 6.080 493 2HB GLU 62 3HB GLU 62 -18.846 -4.931 4.820 494 1HG GLU 62 2HG GLU 62 -20.010 -6.433 6.471 495 2HG GLU 62 3HG GLU 62 -20.061 -5.069 7.608 496 H ILE 63 HN ILE 63 -15.163 -5.470 7.388 497 HA ILE 63 HA ILE 63 -14.061 -3.553 5.483 498 HB ILE 63 HB ILE 63 -12.461 -5.252 7.401 499 1HG1 ILE 63 2HG1 ILE 63 -14.543 -4.383 8.551 500 2HG1 ILE 63 3HG1 ILE 63 -13.019 -3.746 9.215 501 1HG2 ILE 63 1HG2 ILE 63 -11.781 -2.505 7.458 502 2HG2 ILE 63 2HG2 ILE 63 -10.881 -3.820 6.665 503 3HG2 ILE 63 3HG2 ILE 63 -12.089 -2.889 5.747 504 1HD1 ILE 63 1HD1 ILE 63 -13.703 -1.989 7.115 505 2HD1 ILE 63 2HD1 ILE 63 -15.231 -2.313 7.969 506 3HD1 ILE 63 3HD1 ILE 63 -13.832 -1.670 8.861 507 H GLU 64 HN GLU 64 -13.769 -7.063 6.203 508 HA GLU 64 HA GLU 64 -11.816 -7.635 4.233 509 1HB GLU 64 2HB GLU 64 -12.672 -9.969 4.446 510 2HB GLU 64 3HB GLU 64 -12.381 -9.196 6.022 511 1HG GLU 64 2HG GLU 64 -14.959 -8.458 5.621 512 2HG GLU 64 3HG GLU 64 -14.948 -9.991 4.723 513 H LYS 65 HN LYS 65 -15.413 -7.799 4.115 514 HA LYS 65 HA LYS 65 -15.644 -8.704 1.465 515 1HB LYS 65 2HB LYS 65 -17.907 -7.682 1.562 516 2HB LYS 65 3HB LYS 65 -17.524 -8.609 3.033 517 1HG LYS 65 2HG LYS 65 -17.847 -6.767 4.290 518 2HG LYS 65 3HG LYS 65 -16.574 -5.915 3.382 519 1HD LYS 65 2HD LYS 65 -18.401 -4.557 2.910 520 2HD LYS 65 3HD LYS 65 -18.497 -5.702 1.551 521 1HE LYS 65 2HE LYS 65 -19.875 -7.006 3.588 522 2HE LYS 65 3HE LYS 65 -20.336 -5.305 3.811 523 1HZ LYS 65 1HZ LYS 65 -21.765 -5.718 2.214 524 2HZ LYS 65 2HZ LYS 65 -20.493 -5.658 1.166 525 3HZ LYS 65 3HZ LYS 65 -21.025 -7.112 1.734 526 H PHE 66 HN PHE 66 -15.531 -5.341 2.750 527 HA PHE 66 HA PHE 66 -15.667 -4.130 0.150 528 1HB PHE 66 2HB PHE 66 -15.223 -3.308 2.962 529 2HB PHE 66 3HB PHE 66 -14.476 -2.262 1.742 530 HD1 PHE 66 HD1 PHE 66 -17.437 -2.946 3.561 531 HD2 PHE 66 HD2 PHE 66 -16.045 -1.554 -0.256 532 HE1 PHE 66 HE1 PHE 66 -19.626 -1.850 3.163 533 HE2 PHE 66 HE2 PHE 66 -18.234 -0.457 -0.655 534 HZ PHE 66 HZ PHE 66 -20.024 -0.605 1.055 535 H ARG 67 HN ARG 67 -13.095 -5.478 2.134 536 HA ARG 67 HA ARG 67 -10.859 -4.154 1.090 537 1HB ARG 67 2HB ARG 67 -11.258 -6.138 2.891 538 2HB ARG 67 3HB ARG 67 -10.649 -7.096 1.520 539 1HG ARG 67 2HG ARG 67 -8.554 -6.417 1.992 540 2HG ARG 67 3HG ARG 67 -9.045 -4.731 1.703 541 1HD ARG 67 2HD ARG 67 -9.614 -4.390 3.984 542 2HD ARG 67 3HD ARG 67 -9.623 -6.134 4.328 543 HE ARG 67 HE ARG 67 -7.053 -4.972 3.472 544 1HH1 ARG 67 2HH2 ARG 67 -9.168 -6.045 6.094 545 2HH1 ARG 67 1HH2 ARG 67 -7.871 -6.213 7.256 546 1HH2 ARG 67 2HH1 ARG 67 -5.339 -5.194 5.007 547 2HH2 ARG 67 1HH1 ARG 67 -5.688 -5.728 6.636 548 H VAL 68 HN VAL 68 -12.272 -7.285 -0.033 549 HA VAL 68 HA VAL 68 -10.647 -7.542 -2.319 550 HB VAL 68 HB VAL 68 -12.429 -9.129 -1.123 551 1HG1 VAL 68 1HG1 VAL 68 -13.953 -8.002 -3.511 552 2HG1 VAL 68 2HG1 VAL 68 -14.483 -9.320 -2.439 553 3HG1 VAL 68 3HG1 VAL 68 -14.342 -7.662 -1.808 554 1HG2 VAL 68 1HG2 VAL 68 -10.971 -9.105 -3.594 555 2HG2 VAL 68 2HG2 VAL 68 -11.501 -10.512 -2.640 556 3HG2 VAL 68 3HG2 VAL 68 -12.561 -9.842 -3.904 557 H TRP 69 HN TRP 69 -13.912 -6.068 -1.935 558 HA TRP 69 HA TRP 69 -14.442 -5.393 -4.563 559 1HB TRP 69 2HB TRP 69 -14.908 -3.751 -2.055 560 2HB TRP 69 3HB TRP 69 -15.690 -3.461 -3.615 561 HD1 TRP 69 HD1 TRP 69 -15.659 -7.009 -3.500 562 HE1 TRP 69 HE1 TRP 69 -17.790 -8.027 -2.548 563 HE3 TRP 69 HE3 TRP 69 -17.603 -2.847 -1.241 564 HZ2 TRP 69 HZ2 TRP 69 -20.069 -7.152 -0.994 565 HZ3 TRP 69 HZ3 TRP 69 -19.753 -2.978 -0.037 566 HH2 TRP 69 HH2 TRP 69 -20.996 -5.117 0.096 567 H ILE 70 HN ILE 70 -12.743 -3.283 -2.173 568 HA ILE 70 HA ILE 70 -12.039 -1.214 -3.879 569 HB ILE 70 HB ILE 70 -10.530 -2.464 -1.556 570 1HG1 ILE 70 2HG1 ILE 70 -12.614 -1.571 -0.822 571 2HG1 ILE 70 3HG1 ILE 70 -11.423 -0.293 -0.484 572 1HG2 ILE 70 1HG2 ILE 70 -9.074 -0.597 -1.544 573 2HG2 ILE 70 2HG2 ILE 70 -9.156 -1.062 -3.260 574 3HG2 ILE 70 3HG2 ILE 70 -10.103 0.324 -2.667 575 1HD1 ILE 70 1HD1 ILE 70 -12.102 0.374 -3.028 576 2HD1 ILE 70 2HD1 ILE 70 -13.628 -0.371 -2.495 577 3HD1 ILE 70 3HD1 ILE 70 -12.950 1.009 -1.598 578 H SER 71 HN SER 71 -10.676 -4.470 -3.628 579 HA SER 71 HA SER 71 -8.341 -3.855 -5.238 580 1HB SER 71 2HB SER 71 -9.353 -6.041 -3.660 581 2HB SER 71 3HB SER 71 -8.942 -6.641 -5.285 582 HG SER 71 HG SER 71 -6.950 -5.277 -4.913 583 H ILE 72 HN ILE 72 -11.681 -4.770 -5.794 584 HA ILE 72 HA ILE 72 -11.318 -5.827 -8.441 585 HB ILE 72 HB ILE 72 -13.742 -4.595 -7.073 586 1HG1 ILE 72 2HG1 ILE 72 -12.752 -7.462 -7.378 587 2HG1 ILE 72 3HG1 ILE 72 -12.888 -6.537 -5.863 588 1HG2 ILE 72 1HG2 ILE 72 -13.412 -6.252 -9.607 589 2HG2 ILE 72 2HG2 ILE 72 -14.974 -5.979 -8.798 590 3HG2 ILE 72 3HG2 ILE 72 -14.069 -4.603 -9.474 591 1HD1 ILE 72 1HD1 ILE 72 -14.965 -7.966 -7.391 592 2HD1 ILE 72 2HD1 ILE 72 -14.955 -7.456 -5.686 593 3HD1 ILE 72 3HD1 ILE 72 -15.431 -6.304 -6.957 594 H LEU 73 HN LEU 73 -11.608 -2.600 -7.051 595 HA LEU 73 HA LEU 73 -12.281 -1.273 -9.520 596 1HB LEU 73 2HB LEU 73 -11.028 -0.237 -6.946 597 2HB LEU 73 3HB LEU 73 -11.697 0.771 -8.251 598 HG LEU 73 HG LEU 73 -13.348 -1.390 -6.907 599 1HD1 LEU 73 1HD1 LEU 73 -12.905 -0.094 -5.023 600 2HD1 LEU 73 2HD1 LEU 73 -12.662 1.391 -5.973 601 3HD1 LEU 73 3HD1 LEU 73 -14.307 0.770 -5.698 602 1HD2 LEU 73 1HD2 LEU 73 -15.176 -0.297 -7.909 603 2HD2 LEU 73 2HD2 LEU 73 -14.278 1.227 -8.107 604 3HD2 LEU 73 3HD2 LEU 73 -13.910 -0.165 -9.153 605 H ASN 74 HN ASN 74 -9.413 -2.689 -8.240 606 HA ASN 74 HA ASN 74 -7.553 -0.930 -9.622 607 1HB ASN 74 2HB ASN 74 -7.459 -3.311 -7.858 608 2HB ASN 74 3HB ASN 74 -6.150 -3.207 -9.055 609 1HD2 ASN 74 1HD2 ASN 74 -6.459 -2.732 -5.973 610 2HD2 ASN 74 2HD2 ASN 74 -5.624 -1.214 -5.724 611 H ALA 75 HN ALA 75 -9.485 -3.731 -10.381 612 HA ALA 75 HA ALA 75 -9.343 -5.247 -12.148 613 1HB ALA 75 1HB ALA 75 -10.581 -4.027 -13.570 614 2HB ALA 75 2HB ALA 75 -9.896 -2.515 -12.927 615 3HB ALA 75 3HB ALA 75 -9.075 -3.369 -14.255 616 H GLY 76 HN GLY 76 -6.736 -4.782 -10.951 617 1HA GLY 76 1HA GLY 76 -4.565 -5.376 -11.427 618 2HA GLY 76 2HA GLY 76 -5.099 -5.844 -13.057 619 H GLN 77 HN GLN 77 -6.300 -3.074 -13.429 620 HA GLN 77 HA GLN 77 -5.505 -1.341 -14.777 621 1HB GLN 77 2HB GLN 77 -4.678 0.394 -13.382 622 2HB GLN 77 3HB GLN 77 -5.663 -0.629 -12.310 623 1HG GLN 77 2HG GLN 77 -2.941 -1.632 -12.446 624 2HG GLN 77 3HG GLN 77 -2.942 0.085 -11.986 625 1HE2 GLN 77 1HE2 GLN 77 -4.749 -2.964 -11.277 626 2HE2 GLN 77 2HE2 GLN 77 -4.889 -2.680 -9.555 Start of MODEL 10 1 1H ALA 0 1HN ALA -1 1.352 -0.828 0.478 2 2H ALA 0 2HN ALA -1 0.000 0.000 0.000 3 3H ALA 0 3HN ALA -1 1.352 0.000 -0.956 4 HA ALA 0 HA ALA -1 1.651 0.946 1.736 5 1HB ALA 0 1HB ALA -1 2.669 2.480 -0.570 6 2HB ALA 0 2HB ALA -1 3.525 1.876 0.869 7 3HB ALA 0 3HB ALA -1 3.240 0.794 -0.516 8 H SER 1 HN SER 1 -0.107 1.642 -1.266 9 HA SER 1 HA SER 1 -0.897 4.306 -0.407 10 1HB SER 1 2HB SER 1 -1.271 2.532 -2.759 11 2HB SER 1 3HB SER 1 -2.621 3.640 -2.416 12 HG SER 1 HG SER 1 -1.240 4.814 -3.618 13 H PHE 2 HN PHE 2 -3.541 4.535 -0.866 14 HA PHE 2 HA PHE 2 -4.778 2.624 1.062 15 1HB PHE 2 2HB PHE 2 -6.269 4.725 1.528 16 2HB PHE 2 3HB PHE 2 -4.687 4.566 2.310 17 HD1 PHE 2 HD1 PHE 2 -3.037 6.218 2.037 18 HD2 PHE 2 HD2 PHE 2 -6.426 6.142 -0.600 19 HE1 PHE 2 HE1 PHE 2 -2.352 8.407 1.094 20 HE2 PHE 2 HE2 PHE 2 -5.742 8.331 -1.543 21 HZ PHE 2 HZ PHE 2 -3.704 9.463 -0.696 22 H ILE 3 HN ILE 3 -4.586 2.993 -2.043 23 HA ILE 3 HA ILE 3 -7.487 3.235 -2.611 24 HB ILE 3 HB ILE 3 -6.253 2.908 -5.033 25 1HG1 ILE 3 2HG1 ILE 3 -4.215 4.410 -4.889 26 2HG1 ILE 3 3HG1 ILE 3 -4.301 4.249 -3.119 27 1HG2 ILE 3 1HG2 ILE 3 -6.390 5.558 -3.543 28 2HG2 ILE 3 2HG2 ILE 3 -6.566 5.281 -5.293 29 3HG2 ILE 3 3HG2 ILE 3 -7.829 4.719 -4.172 30 1HD1 ILE 3 1HD1 ILE 3 -2.804 2.590 -4.569 31 2HD1 ILE 3 2HD1 ILE 3 -3.715 1.999 -3.158 32 3HD1 ILE 3 3HD1 ILE 3 -4.357 1.752 -4.799 33 H ASP 4 HN ASP 4 -6.240 1.562 -5.119 34 HA ASP 4 HA ASP 4 -5.732 -1.037 -4.381 35 1HB ASP 4 2HB ASP 4 -8.501 -0.265 -3.777 36 2HB ASP 4 3HB ASP 4 -8.393 -1.681 -4.845 37 H ASN 5 HN ASN 5 -5.260 -2.116 -6.226 38 HA ASN 5 HA ASN 5 -4.971 -2.416 -8.484 39 1HB ASN 5 2HB ASN 5 -7.878 -1.758 -8.879 40 2HB ASN 5 3HB ASN 5 -6.907 -3.068 -9.586 41 1HD2 ASN 5 1HD2 ASN 5 -8.343 -1.892 -6.511 42 2HD2 ASN 5 2HD2 ASN 5 -8.556 -3.476 -5.798 43 H THR 6 HN THR 6 -4.683 0.347 -7.395 44 HA THR 6 HA THR 6 -5.798 2.232 -9.212 45 HB THR 6 HB THR 6 -4.794 2.751 -6.978 46 HG1 THR 6 HG1 THR 6 -3.209 4.317 -8.475 47 1HG2 THR 6 1HG2 THR 6 -2.055 2.964 -7.975 48 2HG2 THR 6 2HG2 THR 6 -2.659 2.197 -6.487 49 3HG2 THR 6 3HG2 THR 6 -2.629 1.280 -8.012 50 H CYS 7 HN CYS 7 -4.414 -0.275 -10.330 51 HA CYS 7 HA CYS 7 -2.045 0.473 -11.678 52 1HB CYS 7 2HB CYS 7 -4.189 -1.583 -12.014 53 2HB CYS 7 3HB CYS 7 -3.094 -1.304 -13.377 54 H ARG 8 HN ARG 8 -1.645 1.763 -13.387 55 HA ARG 8 HA ARG 8 -3.989 2.651 -15.003 56 1HB ARG 8 2HB ARG 8 -2.557 4.237 -13.274 57 2HB ARG 8 3HB ARG 8 -1.682 4.491 -14.803 58 1HG ARG 8 2HG ARG 8 -4.699 4.747 -14.445 59 2HG ARG 8 3HG ARG 8 -3.557 6.110 -14.515 60 1HD ARG 8 2HD ARG 8 -2.788 5.125 -16.770 61 2HD ARG 8 3HD ARG 8 -4.248 4.116 -16.696 62 HE ARG 8 HE ARG 8 -5.165 6.688 -16.243 63 1HH1 ARG 8 2HH2 ARG 8 -3.283 5.057 -18.753 64 2HH1 ARG 8 1HH2 ARG 8 -3.847 6.095 -20.043 65 1HH2 ARG 8 2HH1 ARG 8 -5.910 8.060 -17.947 66 2HH2 ARG 8 1HH1 ARG 8 -5.345 7.807 -19.583 67 H GLY 9 HN GLY 9 -1.747 0.505 -15.223 68 1HA GLY 9 1HA GLY 9 -1.022 1.242 -18.006 69 2HA GLY 9 2HA GLY 9 0.251 0.718 -16.880 70 H VAL 10 HN VAL 10 -2.032 -1.017 -15.597 71 HA VAL 10 HA VAL 10 -1.298 -3.501 -16.452 72 HB VAL 10 HB VAL 10 -2.809 -3.177 -14.585 73 1HG1 VAL 10 1HG1 VAL 10 -4.222 -1.561 -16.521 74 2HG1 VAL 10 2HG1 VAL 10 -5.327 -2.792 -15.864 75 3HG1 VAL 10 3HG1 VAL 10 -4.481 -1.677 -14.764 76 1HG2 VAL 10 1HG2 VAL 10 -4.833 -4.666 -15.740 77 2HG2 VAL 10 2HG2 VAL 10 -3.476 -4.948 -16.857 78 3HG2 VAL 10 3HG2 VAL 10 -3.299 -5.330 -15.128 79 H MET 11 HN MET 11 -3.914 -1.488 -17.897 80 HA MET 11 HA MET 11 -4.916 -3.165 -19.808 81 1HB MET 11 2HB MET 11 -4.104 -0.265 -20.254 82 2HB MET 11 3HB MET 11 -5.337 -1.170 -21.164 83 1HG MET 11 2HG MET 11 -6.706 -0.159 -19.629 84 2HG MET 11 3HG MET 11 -6.290 -1.620 -18.718 85 1HE MET 11 1HE MET 11 -3.250 1.328 -18.669 86 2HE MET 11 2HE MET 11 -4.608 1.459 -19.813 87 3HE MET 11 3HE MET 11 -4.529 2.537 -18.398 88 H GLY 12 HN GLY 12 -1.653 -1.934 -19.592 89 1HA GLY 12 1HA GLY 12 -1.039 -2.660 -22.380 90 2HA GLY 12 2HA GLY 12 0.063 -1.918 -21.198 91 H ASN 13 HN ASN 13 0.176 -3.509 -19.084 92 HA ASN 13 HA ASN 13 1.862 -5.583 -19.706 93 1HB ASN 13 2HB ASN 13 1.759 -6.088 -17.484 94 2HB ASN 13 3HB ASN 13 0.869 -4.551 -17.416 95 1HD2 ASN 13 1HD2 ASN 13 -1.380 -4.543 -17.080 96 2HD2 ASN 13 2HD2 ASN 13 -2.259 -5.979 -16.602 97 H ARG 14 HN ARG 14 -1.657 -5.981 -18.995 98 HA ARG 14 HA ARG 14 -3.048 -7.763 -19.454 99 1HB ARG 14 2HB ARG 14 -1.674 -7.620 -22.162 100 2HB ARG 14 3HB ARG 14 -3.343 -8.130 -21.813 101 1HG ARG 14 2HG ARG 14 -2.268 -5.353 -21.177 102 2HG ARG 14 3HG ARG 14 -3.114 -5.755 -22.691 103 1HD ARG 14 2HD ARG 14 -4.213 -6.030 -19.864 104 2HD ARG 14 3HD ARG 14 -4.707 -4.832 -21.079 105 HE ARG 14 HE ARG 14 -5.139 -7.779 -21.367 106 1HH1 ARG 14 2HH2 ARG 14 -6.091 -4.404 -21.820 107 2HH1 ARG 14 1HH2 ARG 14 -7.603 -4.793 -22.608 108 1HH2 ARG 14 2HH1 ARG 14 -7.137 -8.293 -22.409 109 2HH2 ARG 14 1HH1 ARG 14 -8.199 -7.010 -22.944 110 H ASP 15 HN ASP 15 -0.126 -8.344 -18.604 111 HA ASP 15 HA ASP 15 -0.274 -11.233 -19.260 112 1HB ASP 15 2HB ASP 15 1.458 -9.700 -20.620 113 2HB ASP 15 3HB ASP 15 2.422 -9.942 -19.147 114 H ILE 16 HN ILE 16 1.429 -8.693 -17.347 115 HA ILE 16 HA ILE 16 2.262 -10.421 -15.259 116 HB ILE 16 HB ILE 16 1.550 -7.522 -14.818 117 1HG1 ILE 16 2HG1 ILE 16 3.980 -8.547 -16.346 118 2HG1 ILE 16 3HG1 ILE 16 2.579 -7.748 -17.099 119 1HG2 ILE 16 1HG2 ILE 16 3.173 -7.631 -13.189 120 2HG2 ILE 16 2HG2 ILE 16 2.735 -9.355 -13.223 121 3HG2 ILE 16 3HG2 ILE 16 4.168 -8.785 -14.110 122 1HD1 ILE 16 1HD1 ILE 16 4.862 -6.541 -15.822 123 2HD1 ILE 16 2HD1 ILE 16 3.488 -5.743 -16.625 124 3HD1 ILE 16 3HD1 ILE 16 3.403 -6.129 -14.889 125 H TYR 17 HN TYR 17 -0.753 -8.611 -15.844 126 HA TYR 17 HA TYR 17 -1.910 -8.875 -13.291 127 1HB TYR 17 2HB TYR 17 -2.686 -7.558 -15.361 128 2HB TYR 17 3HB TYR 17 -3.424 -9.075 -15.902 129 HD1 TYR 17 HD1 TYR 17 -3.521 -6.395 -13.359 130 HD2 TYR 17 HD2 TYR 17 -5.394 -9.972 -14.825 131 HE1 TYR 17 HE1 TYR 17 -5.520 -5.918 -11.971 132 HE2 TYR 17 HE2 TYR 17 -7.393 -9.494 -13.437 133 HH TYR 17 HH TYR 17 -7.486 -7.354 -10.914 134 H LYS 18 HN LYS 18 -2.550 -10.933 -16.193 135 HA LYS 18 HA LYS 18 -4.051 -12.906 -14.981 136 1HB LYS 18 2HB LYS 18 -1.957 -13.090 -17.174 137 2HB LYS 18 3HB LYS 18 -3.041 -14.433 -16.741 138 1HG LYS 18 2HG LYS 18 -4.542 -13.514 -18.163 139 2HG LYS 18 3HG LYS 18 -4.751 -12.226 -16.953 140 1HD LYS 18 2HD LYS 18 -2.927 -10.932 -18.008 141 2HD LYS 18 3HD LYS 18 -2.704 -12.223 -19.213 142 1HE LYS 18 2HE LYS 18 -5.403 -10.915 -18.803 143 2HE LYS 18 3HE LYS 18 -4.178 -10.172 -19.854 144 1HZ LYS 18 1HZ LYS 18 -4.113 -12.565 -20.802 145 2HZ LYS 18 2HZ LYS 18 -5.647 -12.640 -20.200 146 3HZ LYS 18 3HZ LYS 18 -5.250 -11.482 -21.305 147 H LYS 19 HN LYS 19 -0.464 -12.975 -15.401 148 HA LYS 19 HA LYS 19 -0.005 -15.314 -13.920 149 1HB LYS 19 2HB LYS 19 1.710 -14.282 -15.304 150 2HB LYS 19 3HB LYS 19 1.714 -12.828 -14.277 151 1HG LYS 19 2HG LYS 19 2.191 -14.593 -12.347 152 2HG LYS 19 3HG LYS 19 2.787 -15.583 -13.702 153 1HD LYS 19 2HD LYS 19 4.589 -14.194 -12.664 154 2HD LYS 19 3HD LYS 19 4.320 -13.794 -14.377 155 1HE LYS 19 2HE LYS 19 3.539 -11.710 -13.898 156 2HE LYS 19 3HE LYS 19 2.637 -12.270 -12.474 157 1HZ LYS 19 1HZ LYS 19 5.101 -12.540 -11.633 158 2HZ LYS 19 2HZ LYS 19 5.325 -11.279 -12.672 159 3HZ LYS 19 3HZ LYS 19 4.234 -11.151 -11.442 160 H VAL 20 HN VAL 20 0.365 -11.906 -12.778 161 HA VAL 20 HA VAL 20 0.904 -12.295 -10.138 162 HB VAL 20 HB VAL 20 -0.964 -10.316 -11.478 163 1HG1 VAL 20 1HG1 VAL 20 -0.733 -10.939 -8.667 164 2HG1 VAL 20 2HG1 VAL 20 -0.029 -9.332 -8.969 165 3HG1 VAL 20 3HG1 VAL 20 -1.709 -9.674 -9.451 166 1HG2 VAL 20 1HG2 VAL 20 1.606 -9.590 -10.135 167 2HG2 VAL 20 2HG2 VAL 20 1.732 -10.553 -11.626 168 3HG2 VAL 20 3HG2 VAL 20 0.899 -8.980 -11.651 169 H VAL 21 HN VAL 21 -2.508 -11.706 -11.128 170 HA VAL 21 HA VAL 21 -3.760 -12.582 -8.851 171 HB VAL 21 HB VAL 21 -4.826 -11.596 -10.909 172 1HG1 VAL 21 1HG1 VAL 21 -4.137 -14.348 -11.899 173 2HG1 VAL 21 2HG1 VAL 21 -5.665 -13.619 -12.449 174 3HG1 VAL 21 3HG1 VAL 21 -4.121 -12.792 -12.764 175 1HG2 VAL 21 1HG2 VAL 21 -6.699 -12.227 -9.827 176 2HG2 VAL 21 2HG2 VAL 21 -6.624 -13.800 -10.656 177 3HG2 VAL 21 3HG2 VAL 21 -5.830 -13.587 -9.078 178 H ARG 22 HN ARG 22 -2.151 -14.528 -11.314 179 HA ARG 22 HA ARG 22 -3.294 -17.039 -10.413 180 1HB ARG 22 2HB ARG 22 -2.210 -16.303 -12.730 181 2HB ARG 22 3HB ARG 22 -0.716 -16.863 -11.943 182 1HG ARG 22 2HG ARG 22 -1.572 -18.798 -13.019 183 2HG ARG 22 3HG ARG 22 -2.066 -18.986 -11.320 184 1HD ARG 22 2HD ARG 22 -4.271 -17.919 -11.922 185 2HD ARG 22 3HD ARG 22 -3.768 -17.960 -13.626 186 HE ARG 22 HE ARG 22 -3.446 -20.543 -12.971 187 1HH1 ARG 22 2HH2 ARG 22 -6.053 -18.273 -12.230 188 2HH1 ARG 22 1HH2 ARG 22 -7.296 -19.504 -12.182 189 1HH2 ARG 22 2HH1 ARG 22 -5.087 -22.168 -12.907 190 2HH2 ARG 22 1HH1 ARG 22 -6.745 -21.724 -12.568 191 H VAL 23 HN VAL 23 -0.392 -15.096 -9.753 192 HA VAL 23 HA VAL 23 0.986 -17.159 -8.293 193 HB VAL 23 HB VAL 23 1.249 -14.172 -8.628 194 1HG1 VAL 23 1HG1 VAL 23 3.204 -14.239 -7.107 195 2HG1 VAL 23 2HG1 VAL 23 1.701 -14.631 -6.239 196 3HG1 VAL 23 3HG1 VAL 23 2.827 -15.930 -6.700 197 1HG2 VAL 23 1HG2 VAL 23 2.398 -16.604 -9.721 198 2HG2 VAL 23 2HG2 VAL 23 2.627 -14.920 -10.249 199 3HG2 VAL 23 3HG2 VAL 23 3.671 -15.604 -8.981 200 H CYS 24 HN CYS 24 -1.347 -14.596 -7.487 201 HA CYS 24 HA CYS 24 -1.052 -14.830 -4.640 202 1HB CYS 24 2HB CYS 24 -3.427 -13.876 -6.270 203 2HB CYS 24 3HB CYS 24 -3.107 -13.529 -4.563 204 H GLU 25 HN GLU 25 -3.136 -16.375 -7.098 205 HA GLU 25 HA GLU 25 -4.930 -17.667 -5.349 206 1HB GLU 25 2HB GLU 25 -4.050 -17.894 -8.153 207 2HB GLU 25 3HB GLU 25 -4.598 -19.434 -7.449 208 1HG GLU 25 2HG GLU 25 -6.175 -16.855 -7.159 209 2HG GLU 25 3HG GLU 25 -6.402 -17.959 -8.533 210 H ASP 26 HN ASP 26 -1.912 -18.961 -6.853 211 HA ASP 26 HA ASP 26 -1.869 -21.435 -5.581 212 1HB ASP 26 2HB ASP 26 -0.046 -19.729 -7.031 213 2HB ASP 26 3HB ASP 26 0.803 -20.476 -5.661 214 H CYS 27 HN CYS 27 -0.661 -18.268 -4.400 215 HA CYS 27 HA CYS 27 0.438 -19.274 -1.968 216 1HB CYS 27 2HB CYS 27 1.206 -17.170 -2.473 217 2HB CYS 27 3HB CYS 27 -0.361 -16.625 -3.093 218 H THR 28 HN THR 28 -2.743 -17.779 -2.764 219 HA THR 28 HA THR 28 -3.897 -17.708 -0.261 220 HB THR 28 HB THR 28 -5.148 -18.557 -2.902 221 HG1 THR 28 HG1 THR 28 -5.575 -16.067 -1.807 222 1HG2 THR 28 1HG2 THR 28 -6.210 -18.370 -0.189 223 2HG2 THR 28 2HG2 THR 28 -7.018 -17.216 -1.278 224 3HG2 THR 28 3HG2 THR 28 -7.002 -18.951 -1.674 225 H ASN 29 HN ASN 29 -3.133 -20.527 -2.243 226 HA ASN 29 HA ASN 29 -4.741 -22.361 -0.674 227 1HB ASN 29 2HB ASN 29 -2.535 -22.702 -2.731 228 2HB ASN 29 3HB ASN 29 -3.359 -24.070 -1.950 229 1HD2 ASN 29 1HD2 ASN 29 -3.321 -22.280 -4.711 230 2HD2 ASN 29 2HD2 ASN 29 -5.000 -22.408 -5.192 231 H ILE 30 HN ILE 30 -1.254 -21.516 -0.899 232 HA ILE 30 HA ILE 30 -0.141 -23.323 0.843 233 HB ILE 30 HB ILE 30 0.378 -20.449 0.180 234 1HG1 ILE 30 2HG1 ILE 30 2.510 -21.395 -0.560 235 2HG1 ILE 30 3HG1 ILE 30 2.111 -22.957 0.195 236 1HG2 ILE 30 1HG2 ILE 30 1.215 -21.828 2.686 237 2HG2 ILE 30 2HG2 ILE 30 2.508 -20.999 1.787 238 3HG2 ILE 30 3HG2 ILE 30 1.078 -20.089 2.331 239 1HD1 ILE 30 1HD1 ILE 30 0.834 -21.638 -2.219 240 2HD1 ILE 30 2HD1 ILE 30 1.546 -23.264 -2.085 241 3HD1 ILE 30 3HD1 ILE 30 -0.012 -22.907 -1.302 242 H PHE 31 HN PHE 31 -1.603 -20.159 1.796 243 HA PHE 31 HA PHE 31 -1.611 -21.046 4.603 244 1HB PHE 31 2HB PHE 31 -1.831 -18.502 3.106 245 2HB PHE 31 3HB PHE 31 -2.853 -18.612 4.549 246 HD1 PHE 31 HD1 PHE 31 -1.691 -19.368 6.751 247 HD2 PHE 31 HD2 PHE 31 0.415 -17.902 3.306 248 HE1 PHE 31 HE1 PHE 31 0.263 -18.826 8.177 249 HE2 PHE 31 HE2 PHE 31 2.370 -17.359 4.733 250 HZ PHE 31 HZ PHE 31 2.294 -17.821 7.169 251 H ARG 32 HN ARG 32 -3.707 -20.863 1.830 252 HA ARG 32 HA ARG 32 -5.885 -21.502 1.539 253 1HB ARG 32 2HB ARG 32 -5.054 -22.850 4.035 254 2HB ARG 32 3HB ARG 32 -6.811 -22.611 3.881 255 1HG ARG 32 2HG ARG 32 -5.879 -23.427 1.320 256 2HG ARG 32 3HG ARG 32 -5.107 -24.506 2.506 257 1HD ARG 32 2HD ARG 32 -7.201 -25.523 1.978 258 2HD ARG 32 3HD ARG 32 -7.419 -24.766 3.571 259 HE ARG 32 HE ARG 32 -8.207 -22.830 1.740 260 1HH1 ARG 32 2HH2 ARG 32 -9.101 -26.162 2.514 261 2HH1 ARG 32 1HH2 ARG 32 -10.770 -25.972 2.025 262 1HH2 ARG 32 2HH1 ARG 32 -10.412 -22.580 1.094 263 2HH2 ARG 32 1HH1 ARG 32 -11.517 -23.930 1.215 264 H LEU 33 HN LEU 33 -5.054 -18.868 2.719 265 HA LEU 33 HA LEU 33 -7.428 -18.211 4.362 266 1HB LEU 33 2HB LEU 33 -4.950 -16.599 3.634 267 2HB LEU 33 3HB LEU 33 -6.247 -16.068 4.732 268 HG LEU 33 HG LEU 33 -4.771 -18.680 5.176 269 1HD1 LEU 33 1HD1 LEU 33 -4.035 -16.117 6.597 270 2HD1 LEU 33 2HD1 LEU 33 -3.088 -17.613 6.409 271 3HD1 LEU 33 3HD1 LEU 33 -3.288 -16.507 5.029 272 1HD2 LEU 33 1HD2 LEU 33 -6.932 -18.203 6.360 273 2HD2 LEU 33 2HD2 LEU 33 -5.549 -18.353 7.470 274 3HD2 LEU 33 3HD2 LEU 33 -6.188 -16.744 7.057 275 HA PRO 34 HA PRO 34 -9.400 -16.679 0.695 276 1HB PRO 34 2HB PRO 34 -11.653 -15.709 1.880 277 2HB PRO 34 3HB PRO 34 -11.320 -17.469 1.780 278 1HG PRO 34 2HG PRO 34 -10.730 -15.615 4.106 279 2HG PRO 34 3HG PRO 34 -11.624 -17.170 4.153 280 1HD PRO 34 2HD PRO 34 -8.968 -17.038 4.751 281 2HD PRO 34 3HD PRO 34 -9.617 -18.409 3.801 282 H GLY 35 HN GLY 35 -8.702 -14.829 3.646 283 1HA GLY 35 1HA GLY 35 -9.062 -12.268 2.229 284 2HA GLY 35 2HA GLY 35 -8.686 -12.495 3.952 285 H LEU 36 HN LEU 36 -7.214 -13.367 0.767 286 HA LEU 36 HA LEU 36 -4.735 -12.003 1.598 287 1HB LEU 36 2HB LEU 36 -4.783 -14.537 2.266 288 2HB LEU 36 3HB LEU 36 -4.558 -14.817 0.522 289 HG LEU 36 HG LEU 36 -2.593 -13.220 0.610 290 1HD1 LEU 36 1HD1 LEU 36 -2.485 -13.641 3.576 291 2HD1 LEU 36 2HD1 LEU 36 -1.855 -12.298 2.593 292 3HD1 LEU 36 3HD1 LEU 36 -3.593 -12.389 2.966 293 1HD2 LEU 36 1HD2 LEU 36 -2.497 -15.788 0.805 294 2HD2 LEU 36 2HD2 LEU 36 -1.079 -14.889 1.397 295 3HD2 LEU 36 3HD2 LEU 36 -2.270 -15.534 2.552 296 H ASP 37 HN ASP 37 -6.220 -14.130 -0.913 297 HA ASP 37 HA ASP 37 -4.779 -13.448 -3.125 298 1HB ASP 37 2HB ASP 37 -6.637 -15.008 -3.202 299 2HB ASP 37 3HB ASP 37 -7.797 -13.705 -2.863 300 H GLY 38 HN GLY 38 -7.765 -11.652 -2.157 301 1HA GLY 38 1HA GLY 38 -7.669 -9.556 -3.907 302 2HA GLY 38 2HA GLY 38 -8.178 -9.376 -2.213 303 H MET 39 HN MET 39 -6.339 -9.137 -0.586 304 HA MET 39 HA MET 39 -4.898 -6.848 -0.972 305 1HB MET 39 2HB MET 39 -4.176 -9.326 0.632 306 2HB MET 39 3HB MET 39 -3.305 -7.780 0.768 307 1HG MET 39 2HG MET 39 -5.038 -6.733 1.822 308 2HG MET 39 3HG MET 39 -6.270 -7.627 0.916 309 1HE MET 39 1HE MET 39 -4.009 -8.540 4.673 310 2HE MET 39 2HE MET 39 -3.511 -9.765 3.482 311 3HE MET 39 3HE MET 39 -3.349 -8.034 3.099 312 H CYS 40 HN CYS 40 -3.695 -10.187 -1.600 313 HA CYS 40 HA CYS 40 -1.131 -9.662 -2.434 314 1HB CYS 40 2HB CYS 40 -2.375 -11.877 -2.305 315 2HB CYS 40 3HB CYS 40 -3.029 -11.506 -3.909 316 H ARG 41 HN ARG 41 -4.155 -8.873 -4.079 317 HA ARG 41 HA ARG 41 -2.629 -7.246 -5.997 318 1HB ARG 41 2HB ARG 41 -4.311 -8.296 -7.780 319 2HB ARG 41 3HB ARG 41 -2.736 -9.050 -7.436 320 1HG ARG 41 2HG ARG 41 -3.753 -10.915 -6.683 321 2HG ARG 41 3HG ARG 41 -4.688 -9.964 -5.504 322 1HD ARG 41 2HD ARG 41 -6.157 -11.204 -7.085 323 2HD ARG 41 3HD ARG 41 -6.368 -9.444 -7.209 324 HE ARG 41 HE ARG 41 -4.894 -11.159 -9.156 325 1HH1 ARG 41 2HH2 ARG 41 -6.536 -8.162 -8.251 326 2HH1 ARG 41 1HH2 ARG 41 -6.532 -7.509 -9.874 327 1HH2 ARG 41 2HH1 ARG 41 -4.890 -10.297 -11.300 328 2HH2 ARG 41 1HH1 ARG 41 -5.594 -8.727 -11.613 329 H ASN 42 HN ASN 42 -4.081 -6.344 -3.833 330 HA ASN 42 HA ASN 42 -6.754 -5.624 -4.872 331 1HB ASN 42 2HB ASN 42 -7.191 -4.843 -2.627 332 2HB ASN 42 3HB ASN 42 -6.448 -6.454 -2.525 333 1HD2 ASN 42 1HD2 ASN 42 -3.799 -5.106 -3.399 334 2HD2 ASN 42 2HD2 ASN 42 -3.178 -4.420 -1.913 335 H ARG 43 HN ARG 43 -3.536 -4.330 -4.284 336 HA ARG 43 HA ARG 43 -4.494 -1.706 -5.322 337 1HB ARG 43 2HB ARG 43 -2.495 -0.814 -3.910 338 2HB ARG 43 3HB ARG 43 -4.010 -1.227 -3.073 339 1HG ARG 43 2HG ARG 43 -2.519 -3.636 -3.231 340 2HG ARG 43 3HG ARG 43 -1.366 -2.374 -2.735 341 1HD ARG 43 2HD ARG 43 -2.972 -1.653 -0.963 342 2HD ARG 43 3HD ARG 43 -4.046 -2.990 -1.427 343 HE ARG 43 HE ARG 43 -2.081 -4.502 -0.838 344 1HH1 ARG 43 2HH2 ARG 43 -2.553 -1.303 0.591 345 2HH1 ARG 43 1HH2 ARG 43 -1.699 -1.686 2.069 346 1HH2 ARG 43 2HH1 ARG 43 -0.952 -5.008 1.114 347 2HH2 ARG 43 1HH1 ARG 43 -0.786 -3.799 2.367 348 H CYS 44 HN CYS 44 -3.938 -2.725 -7.422 349 HA CYS 44 HA CYS 44 -2.477 -3.274 -9.122 350 1HB CYS 44 2HB CYS 44 -2.394 -0.740 -8.777 351 2HB CYS 44 3HB CYS 44 -0.846 -1.006 -7.957 352 H PHE 45 HN PHE 45 -2.079 -5.036 -7.057 353 HA PHE 45 HA PHE 45 -0.520 -6.361 -5.994 354 1HB PHE 45 2HB PHE 45 1.234 -5.840 -8.390 355 2HB PHE 45 3HB PHE 45 0.995 -7.346 -7.487 356 HD1 PHE 45 HD1 PHE 45 0.898 -7.375 -10.409 357 HD2 PHE 45 HD2 PHE 45 -2.206 -6.506 -7.570 358 HE1 PHE 45 HE1 PHE 45 -0.811 -8.087 -12.060 359 HE2 PHE 45 HE2 PHE 45 -3.915 -7.219 -9.220 360 HZ PHE 45 HZ PHE 45 -3.217 -8.009 -11.465 361 H TYR 46 HN TYR 46 -0.236 -3.265 -5.822 362 HA TYR 46 HA TYR 46 2.650 -3.126 -5.161 363 1HB TYR 46 2HB TYR 46 1.225 -1.399 -6.565 364 2HB TYR 46 3HB TYR 46 0.732 -0.822 -4.964 365 HD1 TYR 46 HD1 TYR 46 3.936 -1.903 -6.625 366 HD2 TYR 46 HD2 TYR 46 1.916 0.994 -4.179 367 HE1 TYR 46 HE1 TYR 46 6.030 -0.585 -6.456 368 HE2 TYR 46 HE2 TYR 46 4.010 2.312 -4.010 369 HH TYR 46 HH TYR 46 7.083 1.182 -5.410 370 H ASN 47 HN ASN 47 2.514 -4.466 -3.262 371 HA ASN 47 HA ASN 47 2.066 -2.964 -0.871 372 1HB ASN 47 2HB ASN 47 0.262 -4.675 -0.047 373 2HB ASN 47 3HB ASN 47 -0.237 -3.273 -1.018 374 1HD2 ASN 47 1HD2 ASN 47 -2.161 -4.563 -1.562 375 2HD2 ASN 47 2HD2 ASN 47 -2.056 -5.756 -2.840 376 H GLU 48 HN GLU 48 3.938 -4.807 -2.412 377 HA GLU 48 HA GLU 48 5.475 -6.429 -1.915 378 1HB GLU 48 2HB GLU 48 6.349 -6.391 0.230 379 2HB GLU 48 3HB GLU 48 5.446 -4.857 0.220 380 1HG GLU 48 2HG GLU 48 4.002 -5.588 1.795 381 2HG GLU 48 3HG GLU 48 3.751 -7.132 0.951 382 H TRP 49 HN TRP 49 2.190 -6.726 -0.812 383 HA TRP 49 HA TRP 49 2.064 -9.272 0.263 384 1HB TRP 49 2HB TRP 49 0.239 -7.776 -1.623 385 2HB TRP 49 3HB TRP 49 -0.184 -9.373 -0.990 386 HD1 TRP 49 HD1 TRP 49 -1.284 -6.172 -0.406 387 HE1 TRP 49 HE1 TRP 49 -1.874 -5.630 2.012 388 HE3 TRP 49 HE3 TRP 49 1.232 -9.979 1.912 389 HZ2 TRP 49 HZ2 TRP 49 -1.326 -6.710 4.640 390 HZ3 TRP 49 HZ3 TRP 49 1.175 -10.190 4.370 391 HH2 TRP 49 HH2 TRP 49 -0.095 -8.568 5.745 392 H PHE 50 HN PHE 50 3.109 -8.345 -2.898 393 HA PHE 50 HA PHE 50 2.464 -10.824 -4.235 394 1HB PHE 50 2HB PHE 50 3.028 -8.422 -5.153 395 2HB PHE 50 3HB PHE 50 4.703 -8.990 -5.050 396 HD1 PHE 50 HD1 PHE 50 1.361 -10.112 -6.355 397 HD2 PHE 50 HD2 PHE 50 5.622 -10.057 -6.891 398 HE1 PHE 50 HE1 PHE 50 1.102 -11.270 -8.533 399 HE2 PHE 50 HE2 PHE 50 5.363 -11.215 -9.069 400 HZ PHE 50 HZ PHE 50 3.103 -11.821 -9.890 401 H LEU 51 HN LEU 51 4.931 -9.753 -2.028 402 HA LEU 51 HA LEU 51 6.787 -11.897 -2.817 403 1HB LEU 51 2HB LEU 51 7.615 -9.632 -2.187 404 2HB LEU 51 3HB LEU 51 6.935 -9.863 -0.558 405 HG LEU 51 HG LEU 51 8.411 -12.202 -1.032 406 1HD1 LEU 51 1HD1 LEU 51 9.336 -10.387 -2.894 407 2HD1 LEU 51 2HD1 LEU 51 10.423 -10.087 -1.517 408 3HD1 LEU 51 3HD1 LEU 51 10.297 -11.721 -2.211 409 1HD2 LEU 51 1HD2 LEU 51 9.110 -9.633 0.450 410 2HD2 LEU 51 2HD2 LEU 51 8.250 -11.045 1.108 411 3HD2 LEU 51 3HD2 LEU 51 9.967 -11.178 0.659 412 H ILE 52 HN ILE 52 4.563 -10.988 -0.173 413 HA ILE 52 HA ILE 52 5.238 -12.993 1.673 414 HB ILE 52 HB ILE 52 2.517 -11.787 1.033 415 1HG1 ILE 52 2HG1 ILE 52 3.223 -10.413 3.135 416 2HG1 ILE 52 3HG1 ILE 52 4.875 -10.945 2.739 417 1HG2 ILE 52 1HG2 ILE 52 1.915 -13.483 2.466 418 2HG2 ILE 52 2HG2 ILE 52 3.552 -13.631 3.148 419 3HG2 ILE 52 3HG2 ILE 52 2.480 -12.316 3.685 420 1HD1 ILE 52 1HD1 ILE 52 3.666 -10.093 0.299 421 2HD1 ILE 52 2HD1 ILE 52 3.312 -8.845 1.519 422 3HD1 ILE 52 3HD1 ILE 52 4.997 -9.315 1.189 423 H CYS 53 HN CYS 53 3.121 -13.084 -1.207 424 HA CYS 53 HA CYS 53 2.271 -15.814 -0.684 425 1HB CYS 53 2HB CYS 53 1.977 -13.854 -2.964 426 2HB CYS 53 3HB CYS 53 1.452 -15.539 -3.120 427 H LEU 54 HN LEU 54 4.456 -14.179 -3.039 428 HA LEU 54 HA LEU 54 5.307 -16.474 -4.410 429 1HB LEU 54 2HB LEU 54 6.211 -13.700 -4.017 430 2HB LEU 54 3HB LEU 54 7.542 -14.839 -4.333 431 HG LEU 54 HG LEU 54 5.371 -15.513 -6.082 432 1HD1 LEU 54 1HD1 LEU 54 5.456 -13.286 -7.395 433 2HD1 LEU 54 2HD1 LEU 54 4.436 -13.332 -5.937 434 3HD1 LEU 54 3HD1 LEU 54 6.039 -12.559 -5.878 435 1HD2 LEU 54 1HD2 LEU 54 7.077 -15.565 -7.620 436 2HD2 LEU 54 2HD2 LEU 54 7.741 -14.001 -7.091 437 3HD2 LEU 54 3HD2 LEU 54 8.083 -15.475 -6.154 438 H LYS 55 HN LYS 55 6.015 -15.360 -1.173 439 HA LYS 55 HA LYS 55 8.451 -16.904 -0.874 440 1HB LYS 55 2HB LYS 55 6.770 -15.090 0.735 441 2HB LYS 55 3HB LYS 55 7.498 -16.417 1.670 442 1HG LYS 55 2HG LYS 55 9.592 -15.564 1.454 443 2HG LYS 55 3HG LYS 55 9.354 -15.194 -0.271 444 1HD LYS 55 2HD LYS 55 9.318 -13.021 0.394 445 2HD LYS 55 3HD LYS 55 7.669 -13.376 0.962 446 1HE LYS 55 2HE LYS 55 8.307 -13.043 3.090 447 2HE LYS 55 3HE LYS 55 9.539 -14.314 2.935 448 1HZ LYS 55 1HZ LYS 55 9.807 -11.445 2.533 449 2HZ LYS 55 2HZ LYS 55 10.744 -12.469 3.424 450 3HZ LYS 55 3HZ LYS 55 10.844 -12.481 1.777 451 H ALA 56 HN ALA 56 5.018 -17.262 0.137 452 HA ALA 56 HA ALA 56 5.332 -19.712 1.511 453 1HB ALA 56 1HB ALA 56 2.786 -19.645 0.212 454 2HB ALA 56 2HB ALA 56 3.173 -19.249 1.904 455 3HB ALA 56 3HB ALA 56 3.210 -17.975 0.661 456 H ALA 57 HN ALA 57 5.781 -18.985 -1.780 457 HA ALA 57 HA ALA 57 5.169 -21.780 -2.591 458 1HB ALA 57 1HB ALA 57 5.806 -20.429 -4.893 459 2HB ALA 57 2HB ALA 57 4.155 -20.611 -4.253 460 3HB ALA 57 3HB ALA 57 5.083 -19.131 -3.912 461 H ASN 58 HN ASN 58 7.619 -20.291 -1.168 462 HA ASN 58 HA ASN 58 9.866 -20.725 -1.059 463 1HB ASN 58 2HB ASN 58 9.948 -22.971 -1.289 464 2HB ASN 58 3HB ASN 58 8.773 -22.970 -2.621 465 1HD2 ASN 58 1HD2 ASN 58 9.704 -21.891 -4.731 466 2HD2 ASN 58 2HD2 ASN 58 11.303 -22.434 -5.191 467 H ARG 59 HN ARG 59 8.296 -20.122 -4.130 468 HA ARG 59 HA ARG 59 10.326 -19.692 -5.912 469 1HB ARG 59 2HB ARG 59 7.633 -18.827 -5.567 470 2HB ARG 59 3HB ARG 59 8.597 -17.390 -5.987 471 1HG ARG 59 2HG ARG 59 8.990 -18.132 -8.098 472 2HG ARG 59 3HG ARG 59 9.304 -19.796 -7.549 473 1HD ARG 59 2HD ARG 59 7.284 -19.685 -8.974 474 2HD ARG 59 3HD ARG 59 6.885 -20.192 -7.319 475 HE ARG 59 HE ARG 59 6.665 -17.326 -7.671 476 1HH1 ARG 59 2HH2 ARG 59 5.063 -20.435 -8.189 477 2HH1 ARG 59 1HH2 ARG 59 3.449 -19.761 -8.173 478 1HH2 ARG 59 2HH1 ARG 59 4.532 -16.436 -7.649 479 2HH2 ARG 59 1HH1 ARG 59 3.146 -17.481 -7.864 480 H GLU 60 HN GLU 60 9.039 -16.909 -4.023 481 HA GLU 60 HA GLU 60 10.203 -14.879 -3.722 482 1HB GLU 60 2HB GLU 60 10.121 -16.275 -1.614 483 2HB GLU 60 3HB GLU 60 11.777 -16.814 -1.984 484 1HG GLU 60 2HG GLU 60 12.627 -14.570 -1.852 485 2HG GLU 60 3HG GLU 60 10.988 -13.884 -1.804 486 H ASP 61 HN ASP 61 11.116 -15.677 -6.139 487 HA ASP 61 HA ASP 61 13.983 -14.978 -5.949 488 1HB ASP 61 2HB ASP 61 12.829 -17.528 -6.955 489 2HB ASP 61 3HB ASP 61 14.058 -16.768 -7.990 490 H GLU 62 HN GLU 62 11.036 -15.460 -7.919 491 HA GLU 62 HA GLU 62 12.120 -13.717 -10.029 492 1HB GLU 62 2HB GLU 62 9.365 -14.980 -9.811 493 2HB GLU 62 3HB GLU 62 10.164 -14.351 -11.272 494 1HG GLU 62 2HG GLU 62 11.918 -16.075 -11.062 495 2HG GLU 62 3HG GLU 62 11.139 -16.697 -9.590 496 H ILE 63 HN ILE 63 11.713 -12.621 -7.335 497 HA ILE 63 HA ILE 63 9.287 -11.013 -7.461 498 HB ILE 63 HB ILE 63 11.717 -10.884 -5.633 499 1HG1 ILE 63 2HG1 ILE 63 10.356 -13.036 -5.647 500 2HG1 ILE 63 3HG1 ILE 63 10.400 -12.182 -4.086 501 1HG2 ILE 63 1HG2 ILE 63 8.920 -9.750 -5.238 502 2HG2 ILE 63 2HG2 ILE 63 10.347 -9.502 -4.204 503 3HG2 ILE 63 3HG2 ILE 63 10.293 -8.787 -5.833 504 1HD1 ILE 63 1HD1 ILE 63 8.095 -13.019 -4.929 505 2HD1 ILE 63 2HD1 ILE 63 8.200 -11.337 -4.357 506 3HD1 ILE 63 3HD1 ILE 63 8.190 -11.685 -6.103 507 H GLU 64 HN GLU 64 12.827 -10.279 -7.475 508 HA GLU 64 HA GLU 64 12.823 -7.607 -7.971 509 1HB GLU 64 2HB GLU 64 14.919 -7.914 -9.145 510 2HB GLU 64 3HB GLU 64 14.822 -9.126 -7.845 511 1HG GLU 64 2HG GLU 64 13.665 -10.556 -9.800 512 2HG GLU 64 3HG GLU 64 14.648 -9.481 -10.818 513 H LYS 65 HN LYS 65 12.572 -10.106 -10.566 514 HA LYS 65 HA LYS 65 12.085 -8.243 -12.654 515 1HB LYS 65 2HB LYS 65 11.152 -10.301 -13.822 516 2HB LYS 65 3HB LYS 65 12.808 -10.465 -13.191 517 1HG LYS 65 2HG LYS 65 12.187 -12.121 -11.783 518 2HG LYS 65 3HG LYS 65 10.819 -11.165 -11.166 519 1HD LYS 65 2HD LYS 65 9.518 -12.700 -12.224 520 2HD LYS 65 3HD LYS 65 9.966 -11.832 -13.712 521 1HE LYS 65 2HE LYS 65 12.144 -13.535 -13.168 522 2HE LYS 65 3HE LYS 65 10.699 -14.516 -12.840 523 1HZ LYS 65 1HZ LYS 65 9.910 -13.620 -15.044 524 2HZ LYS 65 2HZ LYS 65 11.480 -13.195 -15.321 525 3HZ LYS 65 3HZ LYS 65 11.086 -14.776 -15.066 526 H PHE 66 HN PHE 66 9.869 -10.174 -10.584 527 HA PHE 66 HA PHE 66 7.463 -9.320 -11.812 528 1HB PHE 66 2HB PHE 66 8.187 -10.319 -9.053 529 2HB PHE 66 3HB PHE 66 6.524 -9.877 -9.474 530 HD1 PHE 66 HD1 PHE 66 6.797 -12.533 -8.587 531 HD2 PHE 66 HD2 PHE 66 7.683 -10.962 -12.485 532 HE1 PHE 66 HE1 PHE 66 6.453 -14.783 -9.571 533 HE2 PHE 66 HE2 PHE 66 7.339 -13.212 -13.470 534 HZ PHE 66 HZ PHE 66 6.724 -15.123 -12.013 535 H ARG 67 HN ARG 67 9.675 -7.745 -9.591 536 HA ARG 67 HA ARG 67 7.871 -5.821 -8.508 537 1HB ARG 67 2HB ARG 67 10.581 -6.506 -8.250 538 2HB ARG 67 3HB ARG 67 10.594 -4.841 -8.880 539 1HG ARG 67 2HG ARG 67 10.262 -4.237 -6.711 540 2HG ARG 67 3HG ARG 67 8.574 -4.722 -7.003 541 1HD ARG 67 2HD ARG 67 9.401 -7.119 -6.388 542 2HD ARG 67 3HD ARG 67 10.802 -6.287 -5.681 543 HE ARG 67 HE ARG 67 8.152 -5.311 -4.849 544 1HH1 ARG 67 2HH2 ARG 67 10.957 -7.362 -4.195 545 2HH1 ARG 67 1HH2 ARG 67 10.635 -7.490 -2.480 546 1HH2 ARG 67 2HH1 ARG 67 7.727 -5.481 -2.583 547 2HH2 ARG 67 1HH1 ARG 67 8.794 -6.418 -1.562 548 H VAL 68 HN VAL 68 10.336 -5.472 -11.129 549 HA VAL 68 HA VAL 68 9.624 -2.917 -11.973 550 HB VAL 68 HB VAL 68 11.533 -4.544 -12.719 551 1HG1 VAL 68 1HG1 VAL 68 9.940 -5.008 -15.179 552 2HG1 VAL 68 2HG1 VAL 68 11.090 -6.081 -14.345 553 3HG1 VAL 68 3HG1 VAL 68 9.413 -5.951 -13.764 554 1HG2 VAL 68 1HG2 VAL 68 10.065 -2.674 -14.627 555 2HG2 VAL 68 2HG2 VAL 68 11.363 -2.236 -13.489 556 3HG2 VAL 68 3HG2 VAL 68 11.719 -3.281 -14.886 557 H TRP 69 HN TRP 69 8.052 -6.036 -12.600 558 HA TRP 69 HA TRP 69 6.378 -5.176 -14.736 559 1HB TRP 69 2HB TRP 69 6.105 -7.331 -12.625 560 2HB TRP 69 3HB TRP 69 4.950 -7.119 -13.948 561 HD1 TRP 69 HD1 TRP 69 8.150 -6.361 -15.417 562 HE1 TRP 69 HE1 TRP 69 9.180 -8.342 -16.641 563 HE3 TRP 69 HE3 TRP 69 5.222 -10.100 -13.508 564 HZ2 TRP 69 HZ2 TRP 69 8.789 -11.206 -16.784 565 HZ3 TRP 69 HZ3 TRP 69 5.580 -12.438 -14.211 566 HH2 TRP 69 HH2 TRP 69 7.354 -13.007 -15.844 567 H ILE 70 HN ILE 70 5.742 -5.482 -11.198 568 HA ILE 70 HA ILE 70 3.136 -4.501 -11.167 569 HB ILE 70 HB ILE 70 5.387 -4.120 -9.155 570 1HG1 ILE 70 2HG1 ILE 70 5.029 -6.442 -9.418 571 2HG1 ILE 70 3HG1 ILE 70 3.978 -6.011 -8.047 572 1HG2 ILE 70 1HG2 ILE 70 3.446 -2.520 -8.902 573 2HG2 ILE 70 2HG2 ILE 70 2.375 -3.933 -8.741 574 3HG2 ILE 70 3HG2 ILE 70 3.648 -3.638 -7.532 575 1HD1 ILE 70 1HD1 ILE 70 2.471 -7.205 -9.348 576 2HD1 ILE 70 2HD1 ILE 70 2.210 -5.568 -9.998 577 3HD1 ILE 70 3HD1 ILE 70 3.245 -6.720 -10.876 578 H SER 71 HN SER 71 6.154 -2.819 -11.761 579 HA SER 71 HA SER 71 5.079 -0.175 -11.218 580 1HB SER 71 2HB SER 71 7.628 -1.369 -11.716 581 2HB SER 71 3HB SER 71 7.365 -0.118 -12.955 582 HG SER 71 HG SER 71 6.493 0.904 -10.720 583 H ILE 72 HN ILE 72 5.471 -2.330 -14.017 584 HA ILE 72 HA ILE 72 4.954 -0.428 -16.054 585 HB ILE 72 HB ILE 72 4.332 -3.405 -15.926 586 1HG1 ILE 72 2HG1 ILE 72 6.709 -1.958 -17.157 587 2HG1 ILE 72 3HG1 ILE 72 6.733 -2.660 -15.522 588 1HG2 ILE 72 1HG2 ILE 72 4.023 -3.351 -18.250 589 2HG2 ILE 72 2HG2 ILE 72 3.237 -1.839 -17.738 590 3HG2 ILE 72 3HG2 ILE 72 4.877 -1.800 -18.427 591 1HD1 ILE 72 1HD1 ILE 72 5.968 -4.855 -16.611 592 2HD1 ILE 72 2HD1 ILE 72 6.354 -4.096 -18.174 593 3HD1 ILE 72 3HD1 ILE 72 7.636 -4.343 -16.964 594 H LEU 73 HN LEU 73 2.779 -2.506 -14.095 595 HA LEU 73 HA LEU 73 0.375 -1.817 -15.431 596 1HB LEU 73 2HB LEU 73 0.550 -2.390 -12.468 597 2HB LEU 73 3HB LEU 73 -0.705 -2.877 -13.633 598 HG LEU 73 HG LEU 73 2.120 -3.824 -14.066 599 1HD1 LEU 73 1HD1 LEU 73 0.189 -5.351 -12.301 600 2HD1 LEU 73 2HD1 LEU 73 1.939 -5.593 -12.511 601 3HD1 LEU 73 3HD1 LEU 73 1.338 -4.184 -11.604 602 1HD2 LEU 73 1HD2 LEU 73 0.988 -5.685 -15.113 603 2HD2 LEU 73 2HD2 LEU 73 -0.577 -5.189 -14.426 604 3HD2 LEU 73 3HD2 LEU 73 0.199 -4.194 -15.682 605 H ASN 74 HN ASN 74 2.501 0.083 -13.553 606 HA ASN 74 HA ASN 74 0.341 1.947 -12.745 607 1HB ASN 74 2HB ASN 74 3.229 1.540 -11.963 608 2HB ASN 74 3HB ASN 74 2.412 3.084 -11.636 609 1HD2 ASN 74 1HD2 ASN 74 3.208 0.181 -10.269 610 2HD2 ASN 74 2HD2 ASN 74 1.916 0.028 -9.098 611 H ALA 75 HN ALA 75 1.404 1.436 -15.564 612 HA ALA 75 HA ALA 75 3.064 3.303 -16.617 613 1HB ALA 75 1HB ALA 75 1.685 3.269 -18.624 614 2HB ALA 75 2HB ALA 75 1.687 1.647 -17.891 615 3HB ALA 75 3HB ALA 75 0.277 2.714 -17.688 616 H GLY 76 HN GLY 76 -0.461 4.041 -16.533 617 1HA GLY 76 1HA GLY 76 -0.370 6.738 -16.955 618 2HA GLY 76 2HA GLY 76 -1.549 5.972 -15.866 619 H GLN 77 HN GLN 77 0.100 5.079 -13.799 620 HA GLN 77 HA GLN 77 0.406 7.450 -12.260 621 1HB GLN 77 2HB GLN 77 0.877 4.541 -11.953 622 2HB GLN 77 3HB GLN 77 1.910 5.578 -10.940 623 1HG GLN 77 2HG GLN 77 0.061 5.418 -9.563 624 2HG GLN 77 3HG GLN 77 -0.398 6.847 -10.513 625 1HE2 GLN 77 1HE2 GLN 77 -0.360 3.387 -11.482 626 2HE2 GLN 77 2HE2 GLN 77 -2.075 3.278 -11.816
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