NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
597639 | 2n6b | 25758 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 2 HT1 ALA 2 -12.126 6.854 3.879 2 H2 ALA 2 HT2 ALA 2 -12.061 7.440 5.491 3 H3 ALA 2 HT3 ALA 2 -10.995 6.193 4.985 4 HA ALA 2 HA ALA 2 -11.032 8.847 3.742 5 HB1 ALA 2 HB1 ALA 2 -10.582 8.712 6.325 6 HB2 ALA 2 HB2 ALA 2 -9.569 9.708 5.280 7 HB3 ALA 2 HB3 ALA 2 -9.006 8.120 5.800 8 H CYS 3 HN CYS 3 -9.019 6.082 4.764 9 HA CYS 3 HA CYS 3 -7.565 6.323 2.215 10 HB2 CYS 3 HB2 CYS 3 -5.801 4.932 3.454 11 HB3 CYS 3 HB1 CYS 3 -5.985 6.614 3.934 12 H LYS 4 HN LYS 4 -8.349 4.928 0.772 13 HA LYS 4 HA LYS 4 -9.283 2.302 1.679 14 HB2 LYS 4 HB2 LYS 4 -9.858 4.024 -0.681 15 HB3 LYS 4 HB1 LYS 4 -9.964 2.283 -0.900 16 HG2 LYS 4 HG2 LYS 4 -11.355 2.700 1.436 17 HG3 LYS 4 HG1 LYS 4 -11.771 4.109 0.458 18 HD2 LYS 4 HD2 LYS 4 -11.813 1.535 -0.968 19 HD3 LYS 4 HD1 LYS 4 -13.027 1.711 0.301 20 HE2 LYS 4 HE2 LYS 4 -13.881 3.710 -0.713 21 HE3 LYS 4 HE1 LYS 4 -12.569 3.729 -1.890 22 HZ1 LYS 4 HZ1 LYS 4 -14.969 2.709 -2.388 23 HZ2 LYS 4 HZ2 LYS 4 -14.187 1.317 -1.829 24 HZ3 LYS 4 HZ3 LYS 4 -13.558 2.167 -3.149 25 H ASP 5 HN ASP 5 -8.954 0.626 -0.292 26 HA ASP 5 HA ASP 5 -6.090 0.666 -0.905 27 HB2 ASP 5 HB2 ASP 5 -6.063 -1.770 -0.595 28 HB3 ASP 5 HB1 ASP 5 -6.565 -0.938 0.872 29 H TYR 6 HN TYR 6 -5.465 0.167 -2.887 30 HA TYR 6 HA TYR 6 -7.493 -0.136 -4.943 31 HB2 TYR 6 HB2 TYR 6 -5.004 1.135 -4.821 32 HB3 TYR 6 HB1 TYR 6 -4.752 -0.227 -5.905 33 HD1 TYR 6 HD2 TYR 6 -7.134 2.585 -5.302 34 HD2 TYR 6 HD1 TYR 6 -5.289 0.015 -8.147 35 HE1 TYR 6 HE2 TYR 6 -8.182 3.860 -7.125 36 HE2 TYR 6 HE1 TYR 6 -6.331 1.283 -9.977 37 HH TYR 6 HH TYR 6 -7.326 4.082 -9.944 38 H LEU 7 HN LEU 7 -5.619 -2.168 -3.044 39 HA LEU 7 HA LEU 7 -6.212 -4.436 -4.773 40 HB2 LEU 7 HB2 LEU 7 -3.478 -3.530 -4.004 41 HB3 LEU 7 HB1 LEU 7 -3.780 -5.233 -4.101 42 HG LEU 7 HG LEU 7 -4.624 -3.603 -6.420 43 HD11 LEU 7 HD11 LEU 7 -1.781 -4.085 -5.616 44 HD12 LEU 7 HD12 LEU 7 -2.539 -2.589 -6.163 45 HD13 LEU 7 HD13 LEU 7 -2.247 -3.899 -7.307 46 HD21 LEU 7 HD21 LEU 7 -4.670 -5.576 -7.445 47 HD22 LEU 7 HD22 LEU 7 -4.436 -6.303 -5.859 48 HD23 LEU 7 HD23 LEU 7 -3.047 -5.987 -6.894 49 HA PRO 8 HA PRO 8 -6.757 -6.440 -0.871 50 HB2 PRO 8 HB2 PRO 8 -6.054 -8.970 -1.226 51 HB3 PRO 8 HB1 PRO 8 -7.367 -8.255 -2.172 52 HG2 PRO 8 HG2 PRO 8 -4.549 -8.799 -2.937 53 HG3 PRO 8 HG1 PRO 8 -6.030 -8.991 -3.890 54 HD2 PRO 8 HD2 PRO 8 -4.280 -6.834 -4.018 55 HD3 PRO 8 HD1 PRO 8 -5.930 -6.812 -4.633 56 H LYS 9 HN LYS 9 -5.803 -7.638 0.894 57 HA LYS 9 HA LYS 9 -3.505 -6.460 1.880 58 HB2 LYS 9 HB2 LYS 9 -4.526 -9.179 2.697 59 HB3 LYS 9 HB1 LYS 9 -3.587 -8.059 3.673 60 HG2 LYS 9 HG2 LYS 9 -5.395 -6.925 4.310 61 HG3 LYS 9 HG1 LYS 9 -6.058 -6.891 2.674 62 HD2 LYS 9 HD2 LYS 9 -7.630 -8.236 3.586 63 HD3 LYS 9 HD1 LYS 9 -6.427 -9.490 3.274 64 HE2 LYS 9 HE2 LYS 9 -5.623 -9.349 5.538 65 HE3 LYS 9 HE1 LYS 9 -6.673 -7.971 5.867 66 HZ1 LYS 9 HZ1 LYS 9 -7.333 -10.430 6.516 67 HZ2 LYS 9 HZ2 LYS 9 -7.945 -10.429 4.939 68 HZ3 LYS 9 HZ3 LYS 9 -8.492 -9.284 6.058 69 H SER 10 HN SER 10 -3.778 -9.122 -0.291 70 HA SER 10 HA SER 10 -1.204 -10.249 0.265 71 HB2 SER 10 HB2 SER 10 -3.387 -10.737 -1.690 72 HB3 SER 10 HB1 SER 10 -1.769 -11.267 -2.149 73 HG SER 10 HG SER 10 -2.579 -12.953 -1.044 74 H GLU 11 HN GLU 11 -2.336 -7.623 -1.701 75 HA GLU 11 HA GLU 11 0.125 -7.645 -3.291 76 HB2 GLU 11 HB2 GLU 11 -2.582 -6.587 -3.587 77 HB3 GLU 11 HB1 GLU 11 -1.343 -5.449 -4.080 78 HG2 GLU 11 HG2 GLU 11 -0.953 -8.158 -5.108 79 HG3 GLU 11 HG1 GLU 11 -2.452 -7.392 -5.642 80 H CYS 12 HN CYS 12 -1.637 -5.682 -0.980 81 HA CYS 12 HA CYS 12 0.601 -3.792 -0.911 82 HB2 CYS 12 HB2 CYS 12 -2.300 -3.614 -0.355 83 HB3 CYS 12 HB1 CYS 12 -1.249 -2.617 0.654 84 H THR 13 HN THR 13 2.094 -4.523 0.413 85 HA THR 13 HA THR 13 1.265 -5.611 3.016 86 HB THR 13 HB THR 13 3.705 -6.479 2.997 87 HG1 THR 13 HG1 THR 13 3.408 -6.046 0.219 88 HG21 THR 13 HG21 THR 13 1.978 -7.609 0.803 89 HG22 THR 13 HG22 THR 13 1.650 -7.876 2.519 90 HG23 THR 13 HG23 THR 13 3.161 -8.448 1.812 91 H GLN 14 HN GLN 14 2.169 -4.812 4.914 92 HA GLN 14 HA GLN 14 2.693 -2.123 5.135 93 HB2 GLN 14 HB2 GLN 14 3.949 -4.213 6.919 94 HB3 GLN 14 HB1 GLN 14 3.531 -2.559 7.344 95 HG2 GLN 14 HG2 GLN 14 1.667 -4.854 6.809 96 HG3 GLN 14 HG1 GLN 14 1.897 -3.967 8.315 97 HE21 GLN 14 HE21 GLN 14 0.245 -4.102 5.315 98 HE22 GLN 14 HE22 GLN 14 -0.702 -2.672 5.516 99 H PHE 15 HN PHE 15 4.804 -4.705 4.229 100 HA PHE 15 HA PHE 15 7.303 -3.467 4.514 101 HB2 PHE 15 HB2 PHE 15 6.174 -5.804 3.162 102 HB3 PHE 15 HB1 PHE 15 7.548 -5.121 2.313 103 HD1 PHE 15 HD1 PHE 15 9.710 -4.829 3.569 104 HD2 PHE 15 HD2 PHE 15 6.451 -7.102 5.091 105 HE1 PHE 15 HE1 PHE 15 11.236 -5.958 5.129 106 HE2 PHE 15 HE2 PHE 15 7.972 -8.238 6.659 107 HZ PHE 15 HZ PHE 15 10.369 -7.666 6.680 108 H ARG 16 HN ARG 16 4.958 -3.495 1.876 109 HA ARG 16 HA ARG 16 6.411 -2.227 -0.107 110 HB2 ARG 16 HB2 ARG 16 3.467 -1.935 0.510 111 HB3 ARG 16 HB1 ARG 16 4.229 -1.503 -1.005 112 HG2 ARG 16 HG2 ARG 16 4.243 -4.265 0.140 113 HG3 ARG 16 HG1 ARG 16 3.052 -3.678 -1.022 114 HD2 ARG 16 HD2 ARG 16 5.009 -3.103 -2.523 115 HD3 ARG 16 HD1 ARG 16 6.019 -4.018 -1.405 116 HE ARG 16 HE ARG 16 3.892 -5.655 -2.127 117 HH11 ARG 16 HH11 ARG 16 6.625 -4.119 -3.659 118 HH12 ARG 16 HH12 ARG 16 6.790 -5.341 -4.874 119 HH21 ARG 16 HH21 ARG 16 4.107 -7.265 -3.723 120 HH22 ARG 16 HH22 ARG 16 5.360 -7.128 -4.911 121 H CYS 17 HN CYS 17 4.421 -0.711 2.430 122 HA CYS 17 HA CYS 17 5.045 1.922 1.581 123 HB2 CYS 17 HB2 CYS 17 3.762 0.748 4.001 124 HB3 CYS 17 HB1 CYS 17 4.272 2.430 4.027 125 H ARG 18 HN ARG 18 6.698 -0.379 3.480 126 HA ARG 18 HA ARG 18 8.292 1.316 5.067 127 HB2 ARG 18 HB2 ARG 18 8.049 -1.435 4.673 128 HB3 ARG 18 HB1 ARG 18 9.707 -1.053 4.175 129 HG2 ARG 18 HG2 ARG 18 8.587 -0.099 6.801 130 HG3 ARG 18 HG1 ARG 18 9.281 -1.711 6.620 131 HD2 ARG 18 HD2 ARG 18 11.021 0.242 5.439 132 HD3 ARG 18 HD1 ARG 18 10.632 0.711 7.093 133 HE ARG 18 HE ARG 18 12.224 -1.533 6.251 134 HH11 ARG 18 HH11 ARG 18 10.275 -0.202 8.822 135 HH12 ARG 18 HH12 ARG 18 11.041 -1.142 10.058 136 HH21 ARG 18 HH21 ARG 18 13.233 -2.770 7.875 137 HH22 ARG 18 HH22 ARG 18 12.721 -2.600 9.521 138 H THR 19 HN THR 19 8.884 -0.286 2.043 139 HA THR 19 HA THR 19 11.213 1.430 1.598 140 HB THR 19 HB THR 19 11.813 -0.800 1.989 141 HG1 THR 19 HG1 THR 19 12.810 0.160 0.108 142 HG21 THR 19 HG21 THR 19 9.722 -1.895 1.727 143 HG22 THR 19 HG22 THR 19 10.938 -2.697 0.723 144 HG23 THR 19 HG23 THR 19 9.746 -1.627 -0.019 145 H SER 20 HN SER 20 8.267 0.217 0.108 146 HA SER 20 HA SER 20 8.953 1.586 -2.398 147 HB2 SER 20 HB2 SER 20 6.535 -0.158 -1.979 148 HB3 SER 20 HB1 SER 20 7.355 0.241 -3.489 149 HG SER 20 HG SER 20 7.864 -1.755 -1.712 150 H MET 21 HN MET 21 8.179 3.542 -2.784 151 HA MET 21 HA MET 21 6.156 4.714 -1.105 152 HB2 MET 21 HB2 MET 21 8.021 5.650 -3.205 153 HB3 MET 21 HB1 MET 21 6.534 6.569 -3.028 154 HG2 MET 21 HG2 MET 21 7.099 7.366 -0.981 155 HG3 MET 21 HG1 MET 21 8.050 5.943 -0.566 156 HE1 MET 21 HE1 MET 21 10.109 5.290 -1.912 157 HE2 MET 21 HE2 MET 21 11.374 6.443 -2.335 158 HE3 MET 21 HE3 MET 21 10.097 6.072 -3.493 159 H LYS 22 HN LYS 22 6.361 3.558 -4.420 160 HA LYS 22 HA LYS 22 4.062 4.610 -5.514 161 HB2 LYS 22 HB2 LYS 22 5.849 3.235 -6.653 162 HB3 LYS 22 HB1 LYS 22 5.043 1.805 -6.025 163 HG2 LYS 22 HG2 LYS 22 4.174 1.956 -8.146 164 HG3 LYS 22 HG1 LYS 22 2.946 2.789 -7.193 165 HD2 LYS 22 HD2 LYS 22 3.375 4.780 -8.155 166 HD3 LYS 22 HD1 LYS 22 5.118 4.506 -8.174 167 HE2 LYS 22 HE2 LYS 22 4.184 2.681 -10.008 168 HE3 LYS 22 HE1 LYS 22 3.125 4.068 -10.260 169 HZ1 LYS 22 HZ1 LYS 22 4.875 4.546 -11.640 170 HZ2 LYS 22 HZ2 LYS 22 6.036 3.869 -10.613 171 HZ3 LYS 22 HZ3 LYS 22 5.351 5.369 -10.240 172 H TYR 23 HN TYR 23 4.334 1.444 -3.898 173 HA TYR 23 HA TYR 23 1.669 0.692 -4.095 174 HB2 TYR 23 HB2 TYR 23 3.860 -0.009 -2.183 175 HB3 TYR 23 HB1 TYR 23 2.239 -0.652 -1.948 176 HD1 TYR 23 HD2 TYR 23 4.348 -0.114 -4.975 177 HD2 TYR 23 HD1 TYR 23 2.181 -2.860 -2.565 178 HE1 TYR 23 HE2 TYR 23 4.844 -1.910 -6.587 179 HE2 TYR 23 HE1 TYR 23 2.668 -4.663 -4.157 180 HH TYR 23 HH TYR 23 3.248 -4.679 -6.802 181 H ARG 24 HN ARG 24 3.175 2.889 -1.888 182 HA ARG 24 HA ARG 24 1.155 2.818 0.119 183 HB2 ARG 24 HB2 ARG 24 2.790 5.268 -0.232 184 HB3 ARG 24 HB1 ARG 24 2.387 4.392 1.234 185 HG2 ARG 24 HG2 ARG 24 3.974 2.602 0.446 186 HG3 ARG 24 HG1 ARG 24 4.492 3.733 -0.799 187 HD2 ARG 24 HD2 ARG 24 5.007 5.376 0.998 188 HD3 ARG 24 HD1 ARG 24 4.656 4.119 2.183 189 HE ARG 24 HE ARG 24 6.502 2.889 0.747 190 HH11 ARG 24 HH11 ARG 24 6.439 6.191 1.905 191 HH12 ARG 24 HH12 ARG 24 8.162 6.319 2.000 192 HH21 ARG 24 HH21 ARG 24 8.765 3.066 0.884 193 HH22 ARG 24 HH22 ARG 24 9.482 4.547 1.422 194 H LEU 25 HN LEU 25 1.953 5.419 -2.169 195 HA LEU 25 HA LEU 25 -0.678 6.579 -1.728 196 HB2 LEU 25 HB2 LEU 25 1.507 7.667 -3.475 197 HB3 LEU 25 HB1 LEU 25 0.185 8.542 -2.721 198 HG LEU 25 HG LEU 25 1.904 9.175 -1.348 199 HD11 LEU 25 HD11 LEU 25 1.379 8.380 0.687 200 HD12 LEU 25 HD12 LEU 25 1.678 6.703 0.232 201 HD13 LEU 25 HD13 LEU 25 0.147 7.472 -0.188 202 HD21 LEU 25 HD21 LEU 25 3.906 8.314 -1.748 203 HD22 LEU 25 HD22 LEU 25 3.199 6.861 -2.450 204 HD23 LEU 25 HD23 LEU 25 3.482 6.952 -0.711 205 H ASN 26 HN ASN 26 1.240 5.255 -4.366 206 HA ASN 26 HA ASN 26 -0.618 5.906 -6.403 207 HB2 ASN 26 HB2 ASN 26 1.941 5.259 -6.438 208 HB3 ASN 26 HB1 ASN 26 1.287 3.649 -6.739 209 HD21 ASN 26 HD21 ASN 26 1.115 6.993 -7.867 210 HD22 ASN 26 HD22 ASN 26 0.835 6.606 -9.527 211 H LEU 27 HN LEU 27 -0.134 2.958 -4.469 212 HA LEU 27 HA LEU 27 -2.373 1.741 -5.925 213 HB2 LEU 27 HB2 LEU 27 -0.051 0.661 -4.472 214 HB3 LEU 27 HB1 LEU 27 -1.543 -0.233 -4.270 215 HG LEU 27 HG LEU 27 -1.720 -0.340 -6.775 216 HD11 LEU 27 HD11 LEU 27 0.912 1.026 -6.503 217 HD12 LEU 27 HD12 LEU 27 -0.387 1.297 -7.665 218 HD13 LEU 27 HD13 LEU 27 0.661 -0.113 -7.826 219 HD21 LEU 27 HD21 LEU 27 0.793 -1.608 -5.721 220 HD22 LEU 27 HD22 LEU 27 -0.320 -2.230 -6.940 221 HD23 LEU 27 HD23 LEU 27 -0.820 -2.146 -5.251 222 H CYS 28 HN CYS 28 -1.781 0.565 -2.703 223 HA CYS 28 HA CYS 28 -4.433 1.555 -1.962 224 HB2 CYS 28 HB2 CYS 28 -2.957 -0.203 -0.099 225 HB3 CYS 28 HB1 CYS 28 -4.631 -0.276 -0.619 226 H LYS 29 HN LYS 29 -4.836 2.710 -0.115 227 HA LYS 29 HA LYS 29 -2.653 4.356 0.804 228 HB2 LYS 29 HB2 LYS 29 -5.569 4.373 1.591 229 HB3 LYS 29 HB1 LYS 29 -4.385 5.610 1.994 230 HG2 LYS 29 HG2 LYS 29 -4.243 5.358 -0.776 231 HG3 LYS 29 HG1 LYS 29 -5.964 5.279 -0.394 232 HD2 LYS 29 HD2 LYS 29 -5.625 7.556 -0.624 233 HD3 LYS 29 HD1 LYS 29 -5.454 7.334 1.118 234 HE2 LYS 29 HE2 LYS 29 -2.964 7.106 0.701 235 HE3 LYS 29 HE1 LYS 29 -3.282 7.681 -0.935 236 HZ1 LYS 29 HZ1 LYS 29 -3.791 9.766 -0.204 237 HZ2 LYS 29 HZ2 LYS 29 -2.655 9.332 0.972 238 HZ3 LYS 29 HZ3 LYS 29 -4.308 9.247 1.322 239 H LYS 30 HN LYS 30 -5.147 2.421 2.425 240 HA LYS 30 HA LYS 30 -3.653 2.391 4.881 241 HB2 LYS 30 HB2 LYS 30 -6.018 2.577 5.060 242 HB3 LYS 30 HB1 LYS 30 -6.269 1.160 4.049 243 HG2 LYS 30 HG2 LYS 30 -6.674 0.377 6.190 244 HG3 LYS 30 HG1 LYS 30 -5.008 -0.117 5.878 245 HD2 LYS 30 HD2 LYS 30 -4.690 0.803 7.924 246 HD3 LYS 30 HD1 LYS 30 -4.537 2.274 6.960 247 HE2 LYS 30 HE2 LYS 30 -6.002 2.781 8.758 248 HE3 LYS 30 HE1 LYS 30 -6.999 2.636 7.312 249 HZ1 LYS 30 HZ1 LYS 30 -6.700 0.674 9.512 250 HZ2 LYS 30 HZ2 LYS 30 -7.423 0.285 8.034 251 HZ3 LYS 30 HZ3 LYS 30 -8.106 1.477 9.020 252 H THR 31 HN THR 31 -4.850 -0.192 2.715 253 HA THR 31 HA THR 31 -3.847 -2.369 3.991 254 HB THR 31 HB THR 31 -3.829 -1.941 1.003 255 HG1 THR 31 HG1 THR 31 -5.806 -3.085 2.684 256 HG21 THR 31 HG21 THR 31 -4.143 -4.557 2.417 257 HG22 THR 31 HG22 THR 31 -2.565 -3.952 1.915 258 HG23 THR 31 HG23 THR 31 -3.821 -4.250 0.711 259 H CYS 32 HN CYS 32 -2.006 -0.074 2.111 260 HA CYS 32 HA CYS 32 0.380 -1.693 2.091 261 HB2 CYS 32 HB2 CYS 32 0.127 -0.167 0.274 262 HB3 CYS 32 HB1 CYS 32 -0.125 1.192 1.360 263 H GLY 33 HN GLY 33 -1.102 0.337 4.369 264 HA2 GLY 33 HA2 GLY 33 -0.407 0.562 6.600 265 HA3 GLY 33 HA1 GLY 33 1.213 0.081 6.120 266 H THR 34 HN THR 34 -0.975 2.696 5.096 267 HA THR 34 HA THR 34 0.832 4.692 6.167 268 HB THR 34 HB THR 34 1.809 4.237 3.960 269 HG1 THR 34 HG1 THR 34 1.840 6.363 3.279 270 HG21 THR 34 HG21 THR 34 -0.892 5.005 2.903 271 HG22 THR 34 HG22 THR 34 -0.033 3.481 2.659 272 HG23 THR 34 HG23 THR 34 0.580 4.968 1.932 273 H CYS 35 HN CYS 35 -2.180 3.866 4.573 274 HA CYS 35 HA CYS 35 -4.241 4.808 4.628 275 HB2 CYS 35 HB2 CYS 35 -3.759 4.877 7.088 276 HB3 CYS 35 HB1 CYS 35 -3.170 6.522 6.873 Start of MODEL 2 1 H1 ALA 2 HT1 ALA 2 -12.174 7.938 2.570 2 H2 ALA 2 HT2 ALA 2 -11.901 7.075 1.113 3 H3 ALA 2 HT3 ALA 2 -12.719 8.583 1.079 4 HA ALA 2 HA ALA 2 -10.669 9.158 0.394 5 HB1 ALA 2 HB1 ALA 2 -9.513 9.958 2.664 6 HB2 ALA 2 HB2 ALA 2 -11.120 9.582 3.286 7 HB3 ALA 2 HB3 ALA 2 -10.931 10.753 1.981 8 H CYS 3 HN CYS 3 -10.411 6.828 3.043 9 HA CYS 3 HA CYS 3 -7.743 6.082 2.043 10 HB2 CYS 3 HB2 CYS 3 -8.664 6.645 4.678 11 HB3 CYS 3 HB1 CYS 3 -8.252 4.935 4.610 12 H LYS 4 HN LYS 4 -7.755 4.296 0.860 13 HA LYS 4 HA LYS 4 -9.164 1.940 1.795 14 HB2 LYS 4 HB2 LYS 4 -9.802 3.274 -0.835 15 HB3 LYS 4 HB1 LYS 4 -10.174 1.587 -0.507 16 HG2 LYS 4 HG2 LYS 4 -11.206 3.927 1.082 17 HG3 LYS 4 HG1 LYS 4 -12.102 3.068 -0.172 18 HD2 LYS 4 HD2 LYS 4 -11.484 0.972 1.307 19 HD3 LYS 4 HD1 LYS 4 -11.355 2.194 2.575 20 HE2 LYS 4 HE2 LYS 4 -13.598 2.755 2.442 21 HE3 LYS 4 HE1 LYS 4 -13.761 2.128 0.802 22 HZ1 LYS 4 HZ1 LYS 4 -13.938 -0.025 1.548 23 HZ2 LYS 4 HZ2 LYS 4 -14.743 0.810 2.779 24 HZ3 LYS 4 HZ3 LYS 4 -13.153 0.286 3.015 25 H ASP 5 HN ASP 5 -8.834 0.156 -0.023 26 HA ASP 5 HA ASP 5 -5.978 0.218 -0.665 27 HB2 ASP 5 HB2 ASP 5 -6.044 -2.228 -0.501 28 HB3 ASP 5 HB1 ASP 5 -6.629 -1.479 0.979 29 H TYR 6 HN TYR 6 -5.436 0.263 -2.713 30 HA TYR 6 HA TYR 6 -7.385 0.032 -4.808 31 HB2 TYR 6 HB2 TYR 6 -5.305 1.586 -4.692 32 HB3 TYR 6 HB1 TYR 6 -4.416 0.181 -5.272 33 HD1 TYR 6 HD1 TYR 6 -7.356 2.325 -6.094 34 HD2 TYR 6 HD2 TYR 6 -4.292 -0.239 -7.558 35 HE1 TYR 6 HE1 TYR 6 -7.997 2.885 -8.401 36 HE2 TYR 6 HE2 TYR 6 -4.925 0.315 -9.869 37 HH TYR 6 HH TYR 6 -6.787 1.161 -11.116 38 H LEU 7 HN LEU 7 -5.756 -2.267 -3.096 39 HA LEU 7 HA LEU 7 -6.231 -4.289 -5.109 40 HB2 LEU 7 HB2 LEU 7 -3.493 -3.493 -4.223 41 HB3 LEU 7 HB1 LEU 7 -3.815 -5.164 -4.573 42 HG LEU 7 HG LEU 7 -4.652 -3.271 -6.667 43 HD11 LEU 7 HD11 LEU 7 -2.718 -2.120 -6.532 44 HD12 LEU 7 HD12 LEU 7 -2.082 -3.525 -7.389 45 HD13 LEU 7 HD13 LEU 7 -1.895 -3.399 -5.639 46 HD21 LEU 7 HD21 LEU 7 -4.006 -6.038 -6.366 47 HD22 LEU 7 HD22 LEU 7 -2.963 -5.327 -7.597 48 HD23 LEU 7 HD23 LEU 7 -4.716 -5.207 -7.750 49 HA PRO 8 HA PRO 8 -6.905 -7.102 -1.793 50 HB2 PRO 8 HB2 PRO 8 -4.563 -8.747 -2.596 51 HB3 PRO 8 HB1 PRO 8 -6.249 -9.224 -2.342 52 HG2 PRO 8 HG2 PRO 8 -5.350 -9.005 -4.774 53 HG3 PRO 8 HG1 PRO 8 -6.936 -8.322 -4.360 54 HD2 PRO 8 HD2 PRO 8 -4.296 -6.900 -4.655 55 HD3 PRO 8 HD1 PRO 8 -5.873 -6.448 -5.333 56 H LYS 9 HN LYS 9 -6.067 -8.137 0.049 57 HA LYS 9 HA LYS 9 -4.484 -6.429 1.628 58 HB2 LYS 9 HB2 LYS 9 -5.050 -9.351 2.148 59 HB3 LYS 9 HB1 LYS 9 -4.606 -8.137 3.341 60 HG2 LYS 9 HG2 LYS 9 -6.990 -7.468 1.783 61 HG3 LYS 9 HG1 LYS 9 -7.147 -8.922 2.769 62 HD2 LYS 9 HD2 LYS 9 -6.292 -7.586 4.711 63 HD3 LYS 9 HD1 LYS 9 -6.403 -6.150 3.690 64 HE2 LYS 9 HE2 LYS 9 -8.392 -6.241 4.989 65 HE3 LYS 9 HE1 LYS 9 -8.825 -6.702 3.343 66 HZ1 LYS 9 HZ1 LYS 9 -8.283 -9.082 4.399 67 HZ2 LYS 9 HZ2 LYS 9 -9.828 -8.395 4.403 68 HZ3 LYS 9 HZ3 LYS 9 -8.850 -8.282 5.778 69 H SER 10 HN SER 10 -3.609 -8.922 -0.564 70 HA SER 10 HA SER 10 -1.012 -9.402 0.607 71 HB2 SER 10 HB2 SER 10 -2.614 -10.973 -0.873 72 HB3 SER 10 HB1 SER 10 -1.586 -10.326 -2.151 73 HG SER 10 HG SER 10 -0.775 -11.729 0.176 74 H GLU 11 HN GLU 11 -2.303 -7.659 -2.217 75 HA GLU 11 HA GLU 11 0.161 -7.086 -3.427 76 HB2 GLU 11 HB2 GLU 11 -2.599 -6.284 -3.692 77 HB3 GLU 11 HB1 GLU 11 -1.531 -4.900 -3.919 78 HG2 GLU 11 HG2 GLU 11 -0.737 -7.348 -5.340 79 HG3 GLU 11 HG1 GLU 11 -2.266 -6.639 -5.854 80 H CYS 12 HN CYS 12 -1.656 -5.401 -0.956 81 HA CYS 12 HA CYS 12 0.517 -3.441 -0.773 82 HB2 CYS 12 HB2 CYS 12 -1.483 -2.547 0.936 83 HB3 CYS 12 HB1 CYS 12 -1.148 -1.966 -0.691 84 H THR 13 HN THR 13 2.025 -4.228 0.470 85 HA THR 13 HA THR 13 1.254 -5.408 3.053 86 HB THR 13 HB THR 13 3.637 -6.418 2.884 87 HG1 THR 13 HG1 THR 13 3.219 -5.924 0.134 88 HG21 THR 13 HG21 THR 13 1.415 -7.629 2.437 89 HG22 THR 13 HG22 THR 13 2.895 -8.335 1.789 90 HG23 THR 13 HG23 THR 13 1.813 -7.429 0.727 91 H GLN 14 HN GLN 14 2.357 -4.758 4.919 92 HA GLN 14 HA GLN 14 3.035 -2.111 5.211 93 HB2 GLN 14 HB2 GLN 14 4.350 -4.306 6.810 94 HB3 GLN 14 HB1 GLN 14 3.973 -2.670 7.333 95 HG2 GLN 14 HG2 GLN 14 2.071 -4.942 6.844 96 HG3 GLN 14 HG1 GLN 14 2.393 -4.094 8.354 97 HE21 GLN 14 HE21 GLN 14 0.475 -4.228 5.553 98 HE22 GLN 14 HE22 GLN 14 -0.426 -2.777 5.814 99 H PHE 15 HN PHE 15 4.922 -4.739 4.018 100 HA PHE 15 HA PHE 15 7.498 -3.634 4.164 101 HB2 PHE 15 HB2 PHE 15 6.164 -5.884 2.863 102 HB3 PHE 15 HB1 PHE 15 7.498 -5.248 1.920 103 HD1 PHE 15 HD1 PHE 15 9.756 -5.039 3.048 104 HD2 PHE 15 HD2 PHE 15 6.534 -7.271 4.702 105 HE1 PHE 15 HE1 PHE 15 11.344 -6.267 4.464 106 HE2 PHE 15 HE2 PHE 15 8.116 -8.506 6.126 107 HZ PHE 15 HZ PHE 15 10.526 -8.005 6.009 108 H ARG 16 HN ARG 16 4.987 -3.476 1.673 109 HA ARG 16 HA ARG 16 6.449 -2.200 -0.327 110 HB2 ARG 16 HB2 ARG 16 3.524 -1.720 0.242 111 HB3 ARG 16 HB1 ARG 16 4.348 -1.575 -1.296 112 HG2 ARG 16 HG2 ARG 16 4.008 -4.135 0.212 113 HG3 ARG 16 HG1 ARG 16 2.971 -3.597 -1.105 114 HD2 ARG 16 HD2 ARG 16 5.149 -3.423 -2.463 115 HD3 ARG 16 HD1 ARG 16 5.856 -4.414 -1.188 116 HE ARG 16 HE ARG 16 3.427 -5.473 -2.331 117 HH11 ARG 16 HH11 ARG 16 6.911 -5.380 -2.530 118 HH12 ARG 16 HH12 ARG 16 7.026 -6.887 -3.376 119 HH21 ARG 16 HH21 ARG 16 3.579 -7.454 -3.442 120 HH22 ARG 16 HH22 ARG 16 5.136 -8.063 -3.895 121 H CYS 17 HN CYS 17 4.516 -0.754 2.291 122 HA CYS 17 HA CYS 17 5.051 1.914 1.528 123 HB2 CYS 17 HB2 CYS 17 4.033 0.613 4.016 124 HB3 CYS 17 HB1 CYS 17 4.484 2.312 4.040 125 H ARG 18 HN ARG 18 6.900 -0.430 3.190 126 HA ARG 18 HA ARG 18 8.602 1.272 4.678 127 HB2 ARG 18 HB2 ARG 18 8.298 -1.481 4.337 128 HB3 ARG 18 HB1 ARG 18 9.926 -1.126 3.732 129 HG2 ARG 18 HG2 ARG 18 8.843 -0.415 6.467 130 HG3 ARG 18 HG1 ARG 18 9.951 -1.736 6.095 131 HD2 ARG 18 HD2 ARG 18 10.980 0.708 5.014 132 HD3 ARG 18 HD1 ARG 18 10.579 0.941 6.714 133 HE ARG 18 HE ARG 18 12.254 -0.533 7.298 134 HH11 ARG 18 HH11 ARG 18 11.802 -0.573 3.835 135 HH12 ARG 18 HH12 ARG 18 13.247 -1.477 3.534 136 HH21 ARG 18 HH21 ARG 18 14.153 -1.721 6.899 137 HH22 ARG 18 HH22 ARG 18 14.581 -2.128 5.271 138 H THR 19 HN THR 19 8.978 -0.379 1.643 139 HA THR 19 HA THR 19 11.296 1.302 1.031 140 HB THR 19 HB THR 19 11.894 -0.932 1.405 141 HG1 THR 19 HG1 THR 19 11.641 -0.659 -1.420 142 HG21 THR 19 HG21 THR 19 10.907 -2.828 0.204 143 HG22 THR 19 HG22 THR 19 9.671 -1.742 -0.437 144 HG23 THR 19 HG23 THR 19 9.791 -2.012 1.306 145 H SER 20 HN SER 20 8.263 0.079 -0.256 146 HA SER 20 HA SER 20 8.776 1.363 -2.836 147 HB2 SER 20 HB2 SER 20 6.909 -0.732 -1.862 148 HB3 SER 20 HB1 SER 20 6.333 0.300 -3.171 149 HG SER 20 HG SER 20 8.137 -1.714 -3.241 150 H MET 21 HN MET 21 8.195 3.407 -3.110 151 HA MET 21 HA MET 21 6.361 4.717 -1.322 152 HB2 MET 21 HB2 MET 21 8.273 5.509 -3.402 153 HB3 MET 21 HB1 MET 21 6.835 6.518 -3.336 154 HG2 MET 21 HG2 MET 21 7.458 7.491 -1.430 155 HG3 MET 21 HG1 MET 21 8.004 5.975 -0.720 156 HE1 MET 21 HE1 MET 21 11.638 6.443 -0.559 157 HE2 MET 21 HE2 MET 21 10.362 5.226 -0.525 158 HE3 MET 21 HE3 MET 21 10.203 6.697 0.434 159 H LYS 22 HN LYS 22 6.217 3.378 -4.536 160 HA LYS 22 HA LYS 22 3.920 4.739 -5.447 161 HB2 LYS 22 HB2 LYS 22 5.450 3.577 -6.953 162 HB3 LYS 22 HB1 LYS 22 5.005 2.034 -6.238 163 HG2 LYS 22 HG2 LYS 22 2.584 3.097 -7.005 164 HG3 LYS 22 HG1 LYS 22 3.677 3.589 -8.299 165 HD2 LYS 22 HD2 LYS 22 4.077 0.822 -7.488 166 HD3 LYS 22 HD1 LYS 22 2.433 1.132 -8.049 167 HE2 LYS 22 HE2 LYS 22 3.460 0.630 -10.034 168 HE3 LYS 22 HE1 LYS 22 3.677 2.380 -9.996 169 HZ1 LYS 22 HZ1 LYS 22 5.651 0.255 -9.685 170 HZ2 LYS 22 HZ2 LYS 22 5.876 1.647 -8.750 171 HZ3 LYS 22 HZ3 LYS 22 5.795 1.765 -10.435 172 H TYR 23 HN TYR 23 4.281 1.563 -3.895 173 HA TYR 23 HA TYR 23 1.595 0.791 -4.038 174 HB2 TYR 23 HB2 TYR 23 3.875 0.025 -2.254 175 HB3 TYR 23 HB1 TYR 23 2.267 -0.634 -1.979 176 HD1 TYR 23 HD1 TYR 23 4.278 0.020 -5.053 177 HD2 TYR 23 HD2 TYR 23 2.164 -2.809 -2.692 178 HE1 TYR 23 HE1 TYR 23 4.712 -1.712 -6.751 179 HE2 TYR 23 HE2 TYR 23 2.589 -4.548 -4.370 180 HH TYR 23 HH TYR 23 4.465 -4.898 -6.230 181 H ARG 24 HN ARG 24 3.248 2.850 -1.784 182 HA ARG 24 HA ARG 24 1.366 2.721 0.323 183 HB2 ARG 24 HB2 ARG 24 2.807 5.269 0.024 184 HB3 ARG 24 HB1 ARG 24 2.698 4.195 1.405 185 HG2 ARG 24 HG2 ARG 24 4.297 2.677 0.126 186 HG3 ARG 24 HG1 ARG 24 4.564 4.061 -0.930 187 HD2 ARG 24 HD2 ARG 24 5.307 5.398 0.935 188 HD3 ARG 24 HD1 ARG 24 4.937 4.091 2.060 189 HE ARG 24 HE ARG 24 6.688 2.872 0.505 190 HH11 ARG 24 HH11 ARG 24 6.796 6.108 1.831 191 HH12 ARG 24 HH12 ARG 24 8.525 6.159 1.884 192 HH21 ARG 24 HH21 ARG 24 8.961 2.948 0.587 193 HH22 ARG 24 HH22 ARG 24 9.753 4.368 1.180 194 H LEU 25 HN LEU 25 1.896 5.400 -1.962 195 HA LEU 25 HA LEU 25 -0.721 6.467 -1.271 196 HB2 LEU 25 HB2 LEU 25 1.282 7.640 -3.179 197 HB3 LEU 25 HB1 LEU 25 -0.019 8.467 -2.337 198 HG LEU 25 HG LEU 25 1.773 9.164 -1.091 199 HD11 LEU 25 HD11 LEU 25 0.132 7.453 0.192 200 HD12 LEU 25 HD12 LEU 25 1.418 8.363 0.982 201 HD13 LEU 25 HD13 LEU 25 1.690 6.688 0.504 202 HD21 LEU 25 HD21 LEU 25 3.067 6.910 -2.281 203 HD22 LEU 25 HD22 LEU 25 3.427 6.950 -0.555 204 HD23 LEU 25 HD23 LEU 25 3.779 8.353 -1.563 205 H ASN 26 HN ASN 26 0.988 5.283 -4.123 206 HA ASN 26 HA ASN 26 -1.102 5.896 -5.936 207 HB2 ASN 26 HB2 ASN 26 1.480 5.341 -6.241 208 HB3 ASN 26 HB1 ASN 26 0.826 3.738 -6.579 209 HD21 ASN 26 HD21 ASN 26 0.555 3.386 -8.651 210 HD22 ASN 26 HD22 ASN 26 0.086 4.551 -9.836 211 H LEU 27 HN LEU 27 -0.280 2.934 -4.149 212 HA LEU 27 HA LEU 27 -2.536 1.594 -5.440 213 HB2 LEU 27 HB2 LEU 27 -0.188 0.640 -3.877 214 HB3 LEU 27 HB1 LEU 27 -1.630 -0.353 -3.917 215 HG LEU 27 HG LEU 27 -1.498 -0.216 -6.451 216 HD11 LEU 27 HD11 LEU 27 0.162 1.729 -6.298 217 HD12 LEU 27 HD12 LEU 27 0.461 0.473 -7.499 218 HD13 LEU 27 HD13 LEU 27 1.377 0.488 -5.992 219 HD21 LEU 27 HD21 LEU 27 0.914 -1.583 -5.358 220 HD22 LEU 27 HD22 LEU 27 -0.276 -2.156 -6.526 221 HD23 LEU 27 HD23 LEU 27 -0.688 -2.081 -4.813 222 H CYS 28 HN CYS 28 -1.885 0.382 -2.287 223 HA CYS 28 HA CYS 28 -4.511 1.324 -1.450 224 HB2 CYS 28 HB2 CYS 28 -2.664 -0.494 0.089 225 HB3 CYS 28 HB1 CYS 28 -4.415 -0.365 0.218 226 H LYS 29 HN LYS 29 -4.911 2.514 0.374 227 HA LYS 29 HA LYS 29 -2.772 4.263 1.202 228 HB2 LYS 29 HB2 LYS 29 -5.705 4.168 1.911 229 HB3 LYS 29 HB1 LYS 29 -4.586 5.376 2.531 230 HG2 LYS 29 HG2 LYS 29 -4.299 5.315 -0.285 231 HG3 LYS 29 HG1 LYS 29 -6.025 5.367 0.081 232 HD2 LYS 29 HD2 LYS 29 -5.914 7.460 0.918 233 HD3 LYS 29 HD1 LYS 29 -4.347 7.181 1.680 234 HE2 LYS 29 HE2 LYS 29 -3.173 7.765 -0.207 235 HE3 LYS 29 HE1 LYS 29 -4.497 7.340 -1.291 236 HZ1 LYS 29 HZ1 LYS 29 -4.585 9.604 -1.371 237 HZ2 LYS 29 HZ2 LYS 29 -4.056 9.811 0.222 238 HZ3 LYS 29 HZ3 LYS 29 -5.649 9.332 -0.083 239 H LYS 30 HN LYS 30 -5.148 2.270 2.917 240 HA LYS 30 HA LYS 30 -3.571 2.341 5.328 241 HB2 LYS 30 HB2 LYS 30 -5.949 2.484 5.563 242 HB3 LYS 30 HB1 LYS 30 -6.178 0.995 4.653 243 HG2 LYS 30 HG2 LYS 30 -6.456 0.323 6.850 244 HG3 LYS 30 HG1 LYS 30 -4.777 -0.101 6.504 245 HD2 LYS 30 HD2 LYS 30 -3.937 1.645 7.770 246 HD3 LYS 30 HD1 LYS 30 -5.443 2.560 7.689 247 HE2 LYS 30 HE2 LYS 30 -6.407 1.391 9.395 248 HE3 LYS 30 HE1 LYS 30 -5.514 -0.085 9.031 249 HZ1 LYS 30 HZ1 LYS 30 -3.621 0.717 10.120 250 HZ2 LYS 30 HZ2 LYS 30 -4.901 1.133 11.144 251 HZ3 LYS 30 HZ3 LYS 30 -4.191 2.310 10.158 252 H THR 31 HN THR 31 -4.823 -0.302 3.293 253 HA THR 31 HA THR 31 -3.737 -2.433 4.564 254 HB THR 31 HB THR 31 -3.858 -2.083 1.572 255 HG1 THR 31 HG1 THR 31 -5.771 -3.041 3.434 256 HG21 THR 31 HG21 THR 31 -4.142 -4.499 1.505 257 HG22 THR 31 HG22 THR 31 -3.874 -4.576 3.247 258 HG23 THR 31 HG23 THR 31 -2.579 -4.041 2.180 259 H CYS 32 HN CYS 32 -1.996 -0.176 2.548 260 HA CYS 32 HA CYS 32 0.374 -1.796 2.409 261 HB2 CYS 32 HB2 CYS 32 0.019 -0.242 0.622 262 HB3 CYS 32 HB1 CYS 32 -0.116 1.109 1.743 263 H GLY 33 HN GLY 33 -0.965 0.220 4.792 264 HA2 GLY 33 HA2 GLY 33 -0.151 0.414 6.978 265 HA3 GLY 33 HA1 GLY 33 1.426 -0.113 6.416 266 H THR 34 HN THR 34 -0.650 2.593 5.380 267 HA THR 34 HA THR 34 1.372 4.454 6.386 268 HB THR 34 HB THR 34 2.006 4.151 4.089 269 HG1 THR 34 HG1 THR 34 2.326 6.207 4.184 270 HG21 THR 34 HG21 THR 34 -0.057 3.309 3.135 271 HG22 THR 34 HG22 THR 34 0.557 4.686 2.220 272 HG23 THR 34 HG23 THR 34 -0.799 4.899 3.327 273 H CYS 35 HN CYS 35 -1.907 3.861 5.316 274 HA CYS 35 HA CYS 35 -3.039 6.364 5.448 275 HB2 CYS 35 HB2 CYS 35 -4.278 4.344 4.792 276 HB3 CYS 35 HB1 CYS 35 -4.253 3.785 6.461 Start of MODEL 3 1 H1 ALA 2 HT1 ALA 2 -11.307 9.841 4.592 2 H2 ALA 2 HT2 ALA 2 -12.864 9.342 5.113 3 H3 ALA 2 HT3 ALA 2 -12.466 9.318 3.443 4 HA ALA 2 HA ALA 2 -11.002 7.750 5.438 5 HB1 ALA 2 HB1 ALA 2 -12.524 6.089 5.443 6 HB2 ALA 2 HB2 ALA 2 -13.010 6.384 3.773 7 HB3 ALA 2 HB3 ALA 2 -13.648 7.396 5.069 8 H CYS 3 HN CYS 3 -10.015 5.852 4.356 9 HA CYS 3 HA CYS 3 -9.391 6.397 1.530 10 HB2 CYS 3 HB2 CYS 3 -7.069 5.682 1.962 11 HB3 CYS 3 HB1 CYS 3 -7.500 7.114 2.889 12 H LYS 4 HN LYS 4 -8.477 4.483 0.391 13 HA LYS 4 HA LYS 4 -9.383 1.927 1.514 14 HB2 LYS 4 HB2 LYS 4 -10.415 3.301 -0.880 15 HB3 LYS 4 HB1 LYS 4 -10.003 1.610 -1.127 16 HG2 LYS 4 HG2 LYS 4 -11.406 1.190 0.995 17 HG3 LYS 4 HG1 LYS 4 -12.053 2.804 0.692 18 HD2 LYS 4 HD2 LYS 4 -12.620 2.047 -1.626 19 HD3 LYS 4 HD1 LYS 4 -12.152 0.415 -1.145 20 HE2 LYS 4 HE2 LYS 4 -14.066 1.794 0.628 21 HE3 LYS 4 HE1 LYS 4 -14.667 1.365 -0.973 22 HZ1 LYS 4 HZ1 LYS 4 -13.934 -0.350 1.254 23 HZ2 LYS 4 HZ2 LYS 4 -13.473 -0.903 -0.276 24 HZ3 LYS 4 HZ3 LYS 4 -15.100 -0.576 0.049 25 H ASP 5 HN ASP 5 -8.782 0.217 -0.464 26 HA ASP 5 HA ASP 5 -5.951 0.719 -1.016 27 HB2 ASP 5 HB2 ASP 5 -5.521 -1.664 -0.652 28 HB3 ASP 5 HB1 ASP 5 -6.228 -0.925 0.780 29 H TYR 6 HN TYR 6 -5.220 0.327 -2.982 30 HA TYR 6 HA TYR 6 -7.097 -0.127 -5.100 31 HB2 TYR 6 HB2 TYR 6 -4.879 1.337 -5.000 32 HB3 TYR 6 HB1 TYR 6 -4.161 -0.148 -5.613 33 HD1 TYR 6 HD1 TYR 6 -6.660 2.481 -6.318 34 HD2 TYR 6 HD2 TYR 6 -4.477 -0.824 -7.871 35 HE1 TYR 6 HE1 TYR 6 -7.381 3.081 -8.592 36 HE2 TYR 6 HE2 TYR 6 -5.191 -0.234 -10.149 37 HH TYR 6 HH TYR 6 -7.647 2.079 -10.764 38 H LEU 7 HN LEU 7 -5.295 -2.214 -3.136 39 HA LEU 7 HA LEU 7 -5.862 -4.418 -4.964 40 HB2 LEU 7 HB2 LEU 7 -3.129 -3.739 -3.935 41 HB3 LEU 7 HB1 LEU 7 -3.553 -5.367 -4.373 42 HG LEU 7 HG LEU 7 -4.075 -3.273 -6.400 43 HD11 LEU 7 HD11 LEU 7 -1.573 -3.862 -7.083 44 HD12 LEU 7 HD12 LEU 7 -1.401 -3.959 -5.330 45 HD13 LEU 7 HD13 LEU 7 -1.975 -2.468 -6.079 46 HD21 LEU 7 HD21 LEU 7 -4.547 -5.211 -7.418 47 HD22 LEU 7 HD22 LEU 7 -3.668 -6.160 -6.218 48 HD23 LEU 7 HD23 LEU 7 -2.800 -5.405 -7.555 49 HA PRO 8 HA PRO 8 -6.803 -6.924 -1.494 50 HB2 PRO 8 HB2 PRO 8 -4.729 -8.890 -2.278 51 HB3 PRO 8 HB1 PRO 8 -6.469 -9.111 -2.043 52 HG2 PRO 8 HG2 PRO 8 -5.493 -9.069 -4.463 53 HG3 PRO 8 HG1 PRO 8 -6.990 -8.188 -4.094 54 HD2 PRO 8 HD2 PRO 8 -4.190 -7.105 -4.351 55 HD3 PRO 8 HD1 PRO 8 -5.678 -6.486 -5.088 56 H LYS 9 HN LYS 9 -6.047 -8.036 0.336 57 HA LYS 9 HA LYS 9 -4.235 -6.524 1.861 58 HB2 LYS 9 HB2 LYS 9 -5.079 -9.367 2.429 59 HB3 LYS 9 HB1 LYS 9 -4.528 -8.171 3.593 60 HG2 LYS 9 HG2 LYS 9 -6.849 -7.316 2.039 61 HG3 LYS 9 HG1 LYS 9 -7.133 -8.752 3.025 62 HD2 LYS 9 HD2 LYS 9 -5.669 -6.614 4.397 63 HD3 LYS 9 HD1 LYS 9 -7.309 -6.177 3.914 64 HE2 LYS 9 HE2 LYS 9 -7.731 -8.640 4.945 65 HE3 LYS 9 HE1 LYS 9 -6.374 -8.105 5.935 66 HZ1 LYS 9 HZ1 LYS 9 -8.280 -7.407 7.065 67 HZ2 LYS 9 HZ2 LYS 9 -9.040 -6.855 5.658 68 HZ3 LYS 9 HZ3 LYS 9 -7.722 -6.008 6.294 69 H SER 10 HN SER 10 -3.706 -9.131 -0.321 70 HA SER 10 HA SER 10 -1.139 -9.871 0.786 71 HB2 SER 10 HB2 SER 10 -2.885 -10.847 -1.408 72 HB3 SER 10 HB1 SER 10 -1.154 -11.130 -1.584 73 HG SER 10 HG SER 10 -1.185 -12.173 0.437 74 H GLU 11 HN GLU 11 -2.337 -8.081 -2.038 75 HA GLU 11 HA GLU 11 0.189 -7.690 -3.253 76 HB2 GLU 11 HB2 GLU 11 -2.553 -6.879 -3.640 77 HB3 GLU 11 HB1 GLU 11 -1.477 -5.518 -3.908 78 HG2 GLU 11 HG2 GLU 11 -0.673 -8.036 -5.194 79 HG3 GLU 11 HG1 GLU 11 -2.180 -7.328 -5.778 80 H CYS 12 HN CYS 12 -1.713 -5.894 -0.945 81 HA CYS 12 HA CYS 12 0.352 -3.834 -0.767 82 HB2 CYS 12 HB2 CYS 12 -2.529 -4.009 -0.070 83 HB3 CYS 12 HB1 CYS 12 -1.528 -2.910 0.886 84 H THR 13 HN THR 13 1.948 -4.426 0.523 85 HA THR 13 HA THR 13 1.253 -5.634 3.120 86 HB THR 13 HB THR 13 3.669 -6.527 2.992 87 HG1 THR 13 HG1 THR 13 4.739 -6.216 1.228 88 HG21 THR 13 HG21 THR 13 3.082 -8.463 1.738 89 HG22 THR 13 HG22 THR 13 1.816 -7.593 0.865 90 HG23 THR 13 HG23 THR 13 1.632 -7.930 2.589 91 H GLN 14 HN GLN 14 2.209 -4.798 4.966 92 HA GLN 14 HA GLN 14 2.775 -2.110 5.110 93 HB2 GLN 14 HB2 GLN 14 3.657 -4.393 6.872 94 HB3 GLN 14 HB1 GLN 14 4.028 -2.718 7.261 95 HG2 GLN 14 HG2 GLN 14 2.100 -3.174 8.477 96 HG3 GLN 14 HG1 GLN 14 1.519 -2.298 7.061 97 HE21 GLN 14 HE21 GLN 14 0.240 -3.342 5.566 98 HE22 GLN 14 HE22 GLN 14 -0.411 -4.921 5.825 99 H PHE 15 HN PHE 15 4.824 -4.740 4.211 100 HA PHE 15 HA PHE 15 7.348 -3.547 4.428 101 HB2 PHE 15 HB2 PHE 15 6.148 -5.875 3.123 102 HB3 PHE 15 HB1 PHE 15 7.517 -5.226 2.239 103 HD1 PHE 15 HD2 PHE 15 9.709 -4.959 3.455 104 HD2 PHE 15 HD1 PHE 15 6.441 -7.167 5.051 105 HE1 PHE 15 HE2 PHE 15 11.244 -6.105 4.992 106 HE2 PHE 15 HE1 PHE 15 7.970 -8.319 6.597 107 HZ PHE 15 HZ PHE 15 10.377 -7.790 6.569 108 H ARG 16 HN ARG 16 4.910 -3.488 1.889 109 HA ARG 16 HA ARG 16 6.365 -2.293 -0.153 110 HB2 ARG 16 HB2 ARG 16 3.440 -1.904 0.500 111 HB3 ARG 16 HB1 ARG 16 4.196 -1.569 -1.043 112 HG2 ARG 16 HG2 ARG 16 4.137 -4.274 0.231 113 HG3 ARG 16 HG1 ARG 16 2.947 -3.705 -0.940 114 HD2 ARG 16 HD2 ARG 16 4.401 -4.789 -2.338 115 HD3 ARG 16 HD1 ARG 16 5.103 -3.172 -2.356 116 HE ARG 16 HE ARG 16 6.340 -4.501 -0.287 117 HH11 ARG 16 HH11 ARG 16 6.013 -4.945 -3.733 118 HH12 ARG 16 HH12 ARG 16 7.542 -5.740 -3.902 119 HH21 ARG 16 HH21 ARG 16 8.352 -5.545 -0.508 120 HH22 ARG 16 HH22 ARG 16 8.870 -6.081 -2.071 121 H CYS 17 HN CYS 17 4.483 -0.713 2.431 122 HA CYS 17 HA CYS 17 5.123 1.905 1.537 123 HB2 CYS 17 HB2 CYS 17 3.944 0.783 4.040 124 HB3 CYS 17 HB1 CYS 17 4.473 2.459 4.000 125 H ARG 18 HN ARG 18 6.797 -0.417 3.412 126 HA ARG 18 HA ARG 18 8.500 1.265 4.895 127 HB2 ARG 18 HB2 ARG 18 8.176 -1.490 4.550 128 HB3 ARG 18 HB1 ARG 18 9.829 -1.149 4.008 129 HG2 ARG 18 HG2 ARG 18 9.433 0.262 6.429 130 HG3 ARG 18 HG1 ARG 18 8.796 -1.366 6.672 131 HD2 ARG 18 HD2 ARG 18 10.900 -2.318 5.895 132 HD3 ARG 18 HD1 ARG 18 11.536 -0.701 5.600 133 HE ARG 18 HE ARG 18 10.719 -0.901 8.282 134 HH11 ARG 18 HH11 ARG 18 13.202 -2.083 6.134 135 HH12 ARG 18 HH12 ARG 18 14.376 -2.273 7.392 136 HH21 ARG 18 HH21 ARG 18 12.262 -1.150 9.939 137 HH22 ARG 18 HH22 ARG 18 13.843 -1.744 9.553 138 H THR 19 HN THR 19 8.941 -0.413 1.884 139 HA THR 19 HA THR 19 11.285 1.245 1.316 140 HB THR 19 HB THR 19 11.861 -0.985 1.735 141 HG1 THR 19 HG1 THR 19 11.687 -0.839 -1.100 142 HG21 THR 19 HG21 THR 19 10.901 -2.892 0.534 143 HG22 THR 19 HG22 THR 19 9.692 -1.811 -0.163 144 HG23 THR 19 HG23 THR 19 9.754 -2.056 1.587 145 H SER 20 HN SER 20 8.281 0.020 -0.046 146 HA SER 20 HA SER 20 8.884 1.277 -2.622 147 HB2 SER 20 HB2 SER 20 7.775 -1.108 -2.170 148 HB3 SER 20 HB1 SER 20 6.304 -0.135 -2.168 149 HG SER 20 HG SER 20 6.989 -0.983 -4.261 150 H MET 21 HN MET 21 8.273 3.294 -2.981 151 HA MET 21 HA MET 21 6.372 4.631 -1.283 152 HB2 MET 21 HB2 MET 21 8.333 5.386 -3.333 153 HB3 MET 21 HB1 MET 21 6.881 6.376 -3.338 154 HG2 MET 21 HG2 MET 21 7.342 7.314 -1.331 155 HG3 MET 21 HG1 MET 21 8.157 5.877 -0.720 156 HE1 MET 21 HE1 MET 21 11.644 6.014 -2.156 157 HE2 MET 21 HE2 MET 21 10.492 5.645 -3.439 158 HE3 MET 21 HE3 MET 21 10.251 4.985 -1.821 159 H LYS 22 HN LYS 22 6.415 3.386 -4.568 160 HA LYS 22 HA LYS 22 4.126 4.613 -5.574 161 HB2 LYS 22 HB2 LYS 22 5.734 3.386 -6.952 162 HB3 LYS 22 HB1 LYS 22 5.231 1.875 -6.209 163 HG2 LYS 22 HG2 LYS 22 3.964 1.737 -8.063 164 HG3 LYS 22 HG1 LYS 22 2.859 2.722 -7.104 165 HD2 LYS 22 HD2 LYS 22 2.907 4.027 -8.958 166 HD3 LYS 22 HD1 LYS 22 4.354 4.669 -8.176 167 HE2 LYS 22 HE2 LYS 22 5.399 2.566 -9.517 168 HE3 LYS 22 HE1 LYS 22 4.077 3.011 -10.595 169 HZ1 LYS 22 HZ1 LYS 22 6.269 4.780 -9.656 170 HZ2 LYS 22 HZ2 LYS 22 4.948 5.304 -10.573 171 HZ3 LYS 22 HZ3 LYS 22 6.043 4.194 -11.227 172 H TYR 23 HN TYR 23 4.412 1.471 -3.932 173 HA TYR 23 HA TYR 23 1.731 0.703 -4.137 174 HB2 TYR 23 HB2 TYR 23 3.937 -0.005 -2.235 175 HB3 TYR 23 HB1 TYR 23 2.319 -0.663 -2.021 176 HD1 TYR 23 HD1 TYR 23 4.350 -0.062 -5.089 177 HD2 TYR 23 HD2 TYR 23 2.388 -2.884 -2.594 178 HE1 TYR 23 HE1 TYR 23 4.876 -1.846 -6.704 179 HE2 TYR 23 HE2 TYR 23 2.906 -4.675 -4.186 180 HH TYR 23 HH TYR 23 3.398 -4.733 -6.799 181 H ARG 24 HN ARG 24 3.271 2.911 -1.973 182 HA ARG 24 HA ARG 24 1.291 2.831 0.077 183 HB2 ARG 24 HB2 ARG 24 2.916 5.283 -0.250 184 HB3 ARG 24 HB1 ARG 24 2.574 4.347 1.195 185 HG2 ARG 24 HG2 ARG 24 4.146 2.603 0.284 186 HG3 ARG 24 HG1 ARG 24 4.611 3.787 -0.935 187 HD2 ARG 24 HD2 ARG 24 5.228 5.356 0.861 188 HD3 ARG 24 HD1 ARG 24 4.844 4.114 2.052 189 HE ARG 24 HE ARG 24 6.632 2.816 0.611 190 HH11 ARG 24 HH11 ARG 24 6.696 6.132 1.727 191 HH12 ARG 24 HH12 ARG 24 8.423 6.203 1.797 192 HH21 ARG 24 HH21 ARG 24 8.902 2.918 0.716 193 HH22 ARG 24 HH22 ARG 24 9.675 4.381 1.226 194 H LEU 25 HN LEU 25 2.059 5.436 -2.222 195 HA LEU 25 HA LEU 25 -0.552 6.615 -1.708 196 HB2 LEU 25 HB2 LEU 25 1.592 7.683 -3.520 197 HB3 LEU 25 HB1 LEU 25 0.294 8.569 -2.739 198 HG LEU 25 HG LEU 25 2.057 9.200 -1.419 199 HD11 LEU 25 HD11 LEU 25 1.842 6.756 0.200 200 HD12 LEU 25 HD12 LEU 25 0.307 7.525 -0.202 201 HD13 LEU 25 HD13 LEU 25 1.558 8.441 0.634 202 HD21 LEU 25 HD21 LEU 25 4.043 8.311 -1.830 203 HD22 LEU 25 HD22 LEU 25 3.305 6.873 -2.532 204 HD23 LEU 25 HD23 LEU 25 3.612 6.949 -0.797 205 H ASN 26 HN ASN 26 1.281 5.291 -4.418 206 HA ASN 26 HA ASN 26 -0.666 5.942 -6.376 207 HB2 ASN 26 HB2 ASN 26 1.899 5.288 -6.516 208 HB3 ASN 26 HB1 ASN 26 1.219 3.690 -6.820 209 HD21 ASN 26 HD21 ASN 26 0.591 3.218 -8.814 210 HD22 ASN 26 HD22 ASN 26 0.406 4.353 -10.104 211 H LEU 27 HN LEU 27 -0.073 3.010 -4.462 212 HA LEU 27 HA LEU 27 -2.305 1.702 -5.826 213 HB2 LEU 27 HB2 LEU 27 -0.146 0.732 -3.990 214 HB3 LEU 27 HB1 LEU 27 -1.603 -0.217 -4.207 215 HG LEU 27 HG LEU 27 -1.156 -0.275 -6.652 216 HD11 LEU 27 HD11 LEU 27 0.206 1.360 -7.364 217 HD12 LEU 27 HD12 LEU 27 1.483 0.215 -6.953 218 HD13 LEU 27 HD13 LEU 27 1.038 1.487 -5.815 219 HD21 LEU 27 HD21 LEU 27 1.231 -1.329 -5.181 220 HD22 LEU 27 HD22 LEU 27 0.337 -2.054 -6.517 221 HD23 LEU 27 HD23 LEU 27 -0.378 -1.996 -4.906 222 H CYS 28 HN CYS 28 -1.894 0.634 -2.596 223 HA CYS 28 HA CYS 28 -4.481 1.799 -1.886 224 HB2 CYS 28 HB2 CYS 28 -4.397 0.195 -0.039 225 HB3 CYS 28 HB1 CYS 28 -4.096 -0.615 -1.580 226 H LYS 29 HN LYS 29 -4.784 2.995 -0.020 227 HA LYS 29 HA LYS 29 -2.506 4.535 0.841 228 HB2 LYS 29 HB2 LYS 29 -5.366 4.727 1.782 229 HB3 LYS 29 HB1 LYS 29 -4.100 5.930 1.991 230 HG2 LYS 29 HG2 LYS 29 -4.182 5.515 -0.746 231 HG3 LYS 29 HG1 LYS 29 -5.876 5.478 -0.249 232 HD2 LYS 29 HD2 LYS 29 -5.768 7.714 -0.368 233 HD3 LYS 29 HD1 LYS 29 -4.903 7.612 1.166 234 HE2 LYS 29 HE2 LYS 29 -2.839 7.913 0.174 235 HE3 LYS 29 HE1 LYS 29 -3.398 7.345 -1.399 236 HZ1 LYS 29 HZ1 LYS 29 -4.584 9.797 -0.330 237 HZ2 LYS 29 HZ2 LYS 29 -4.250 9.369 -1.932 238 HZ3 LYS 29 HZ3 LYS 29 -2.999 9.881 -0.916 239 H LYS 30 HN LYS 30 -5.039 2.691 2.511 240 HA LYS 30 HA LYS 30 -3.517 2.652 4.944 241 HB2 LYS 30 HB2 LYS 30 -5.882 2.899 5.118 242 HB3 LYS 30 HB1 LYS 30 -6.159 1.436 4.180 243 HG2 LYS 30 HG2 LYS 30 -6.543 0.767 6.367 244 HG3 LYS 30 HG1 LYS 30 -4.889 0.234 6.050 245 HD2 LYS 30 HD2 LYS 30 -3.963 1.869 7.382 246 HD3 LYS 30 HD1 LYS 30 -5.368 2.927 7.239 247 HE2 LYS 30 HE2 LYS 30 -5.470 2.121 9.434 248 HE3 LYS 30 HE1 LYS 30 -6.629 1.130 8.548 249 HZ1 LYS 30 HZ1 LYS 30 -4.029 0.389 9.676 250 HZ2 LYS 30 HZ2 LYS 30 -4.544 -0.406 8.274 251 HZ3 LYS 30 HZ3 LYS 30 -5.489 -0.468 9.676 252 H THR 31 HN THR 31 -4.770 0.026 2.842 253 HA THR 31 HA THR 31 -3.773 -2.089 4.249 254 HB THR 31 HB THR 31 -3.862 -1.903 1.242 255 HG1 THR 31 HG1 THR 31 -5.810 -2.612 3.172 256 HG21 THR 31 HG21 THR 31 -4.181 -4.345 2.941 257 HG22 THR 31 HG22 THR 31 -2.635 -3.863 2.245 258 HG23 THR 31 HG23 THR 31 -4.001 -4.242 1.191 259 H CYS 32 HN CYS 32 -1.950 0.073 2.224 260 HA CYS 32 HA CYS 32 0.383 -1.623 2.140 261 HB2 CYS 32 HB2 CYS 32 0.201 -0.079 0.342 262 HB3 CYS 32 HB1 CYS 32 -0.032 1.284 1.431 263 H GLY 33 HN GLY 33 -1.005 0.388 4.447 264 HA2 GLY 33 HA2 GLY 33 -0.315 0.564 6.677 265 HA3 GLY 33 HA1 GLY 33 1.282 0.011 6.204 266 H THR 34 HN THR 34 -0.643 2.773 5.013 267 HA THR 34 HA THR 34 1.367 4.564 6.175 268 HB THR 34 HB THR 34 2.120 4.368 3.931 269 HG1 THR 34 HG1 THR 34 0.550 6.716 4.027 270 HG21 THR 34 HG21 THR 34 -0.629 5.060 2.954 271 HG22 THR 34 HG22 THR 34 0.081 3.444 2.913 272 HG23 THR 34 HG23 THR 34 0.804 4.750 1.975 273 H CYS 35 HN CYS 35 -1.877 4.132 4.893 274 HA CYS 35 HA CYS 35 -2.746 6.793 5.456 275 HB2 CYS 35 HB2 CYS 35 -3.864 5.266 3.822 276 HB3 CYS 35 HB1 CYS 35 -4.457 4.317 5.179 Start of MODEL 4 1 H1 ALA 2 HT1 ALA 2 -12.764 9.095 3.681 2 H2 ALA 2 HT2 ALA 2 -13.709 8.257 4.842 3 H3 ALA 2 HT3 ALA 2 -13.509 7.608 3.266 4 HA ALA 2 HA ALA 2 -11.298 8.078 5.141 5 HB1 ALA 2 HB1 ALA 2 -13.016 6.457 5.997 6 HB2 ALA 2 HB2 ALA 2 -11.396 5.794 5.781 7 HB3 ALA 2 HB3 ALA 2 -12.655 5.448 4.595 8 H CYS 3 HN CYS 3 -9.884 5.842 4.470 9 HA CYS 3 HA CYS 3 -9.329 6.264 1.606 10 HB2 CYS 3 HB2 CYS 3 -6.982 5.742 2.099 11 HB3 CYS 3 HB1 CYS 3 -7.539 7.120 3.039 12 H LYS 4 HN LYS 4 -8.844 4.489 0.316 13 HA LYS 4 HA LYS 4 -9.408 1.859 1.525 14 HB2 LYS 4 HB2 LYS 4 -10.113 2.808 -1.258 15 HB3 LYS 4 HB1 LYS 4 -10.412 1.196 -0.623 16 HG2 LYS 4 HG2 LYS 4 -11.520 3.477 0.903 17 HG3 LYS 4 HG1 LYS 4 -12.267 3.095 -0.650 18 HD2 LYS 4 HD2 LYS 4 -13.036 1.062 0.066 19 HD3 LYS 4 HD1 LYS 4 -11.731 0.859 1.236 20 HE2 LYS 4 HE2 LYS 4 -13.820 1.202 2.400 21 HE3 LYS 4 HE1 LYS 4 -12.766 2.593 2.650 22 HZ1 LYS 4 HZ1 LYS 4 -14.111 3.944 1.454 23 HZ2 LYS 4 HZ2 LYS 4 -15.290 2.845 1.966 24 HZ3 LYS 4 HZ3 LYS 4 -14.635 2.719 0.412 25 H ASP 5 HN ASP 5 -8.768 0.163 -0.434 26 HA ASP 5 HA ASP 5 -5.964 0.763 -1.039 27 HB2 ASP 5 HB2 ASP 5 -5.453 -1.609 -0.663 28 HB3 ASP 5 HB1 ASP 5 -6.137 -0.861 0.775 29 H TYR 6 HN TYR 6 -5.297 0.463 -3.034 30 HA TYR 6 HA TYR 6 -7.154 -0.064 -5.120 31 HB2 TYR 6 HB2 TYR 6 -4.533 1.016 -4.886 32 HB3 TYR 6 HB1 TYR 6 -4.473 -0.268 -6.086 33 HD1 TYR 6 HD2 TYR 6 -7.299 0.063 -7.156 34 HD2 TYR 6 HD1 TYR 6 -4.239 2.887 -6.286 35 HE1 TYR 6 HE2 TYR 6 -8.244 1.593 -8.834 36 HE2 TYR 6 HE1 TYR 6 -5.175 4.426 -7.960 37 HH TYR 6 HH TYR 6 -6.578 4.382 -9.922 38 H LEU 7 HN LEU 7 -5.267 -2.144 -3.174 39 HA LEU 7 HA LEU 7 -5.937 -4.368 -4.958 40 HB2 LEU 7 HB2 LEU 7 -3.185 -3.699 -3.982 41 HB3 LEU 7 HB1 LEU 7 -3.627 -5.340 -4.346 42 HG LEU 7 HG LEU 7 -4.214 -3.379 -6.469 43 HD11 LEU 7 HD11 LEU 7 -1.525 -3.757 -5.335 44 HD12 LEU 7 HD12 LEU 7 -2.175 -2.435 -6.305 45 HD13 LEU 7 HD13 LEU 7 -1.646 -3.925 -7.086 46 HD21 LEU 7 HD21 LEU 7 -2.737 -5.572 -7.388 47 HD22 LEU 7 HD22 LEU 7 -4.480 -5.330 -7.501 48 HD23 LEU 7 HD23 LEU 7 -3.798 -6.207 -6.130 49 HA PRO 8 HA PRO 8 -6.878 -6.838 -1.464 50 HB2 PRO 8 HB2 PRO 8 -4.821 -8.827 -2.234 51 HB3 PRO 8 HB1 PRO 8 -6.562 -9.032 -1.992 52 HG2 PRO 8 HG2 PRO 8 -5.593 -9.022 -4.415 53 HG3 PRO 8 HG1 PRO 8 -7.082 -8.125 -4.051 54 HD2 PRO 8 HD2 PRO 8 -4.273 -7.068 -4.324 55 HD3 PRO 8 HD1 PRO 8 -5.758 -6.444 -5.065 56 H LYS 9 HN LYS 9 -6.123 -7.939 0.374 57 HA LYS 9 HA LYS 9 -4.296 -6.423 1.878 58 HB2 LYS 9 HB2 LYS 9 -5.132 -9.255 2.500 59 HB3 LYS 9 HB1 LYS 9 -4.625 -8.014 3.637 60 HG2 LYS 9 HG2 LYS 9 -6.913 -7.197 2.045 61 HG3 LYS 9 HG1 LYS 9 -7.216 -8.664 2.978 62 HD2 LYS 9 HD2 LYS 9 -6.760 -7.588 5.018 63 HD3 LYS 9 HD1 LYS 9 -5.982 -6.221 4.218 64 HE2 LYS 9 HE2 LYS 9 -7.937 -5.178 3.828 65 HE3 LYS 9 HE1 LYS 9 -8.774 -6.679 3.436 66 HZ1 LYS 9 HZ1 LYS 9 -9.356 -5.339 5.585 67 HZ2 LYS 9 HZ2 LYS 9 -8.035 -6.177 6.228 68 HZ3 LYS 9 HZ3 LYS 9 -9.353 -7.031 5.600 69 H SER 10 HN SER 10 -3.802 -9.070 -0.264 70 HA SER 10 HA SER 10 -1.237 -9.816 0.843 71 HB2 SER 10 HB2 SER 10 -3.075 -11.215 -0.563 72 HB3 SER 10 HB1 SER 10 -1.972 -10.761 -1.861 73 HG SER 10 HG SER 10 -1.297 -12.115 0.541 74 H GLU 11 HN GLU 11 -2.432 -8.012 -1.969 75 HA GLU 11 HA GLU 11 0.098 -7.700 -3.215 76 HB2 GLU 11 HB2 GLU 11 -2.632 -6.849 -3.608 77 HB3 GLU 11 HB1 GLU 11 -1.534 -5.511 -3.899 78 HG2 GLU 11 HG2 GLU 11 -0.772 -8.060 -5.146 79 HG3 GLU 11 HG1 GLU 11 -2.271 -7.341 -5.738 80 H CYS 12 HN CYS 12 -1.764 -5.840 -0.926 81 HA CYS 12 HA CYS 12 0.341 -3.817 -0.779 82 HB2 CYS 12 HB2 CYS 12 -2.544 -3.924 -0.094 83 HB3 CYS 12 HB1 CYS 12 -1.526 -2.845 0.868 84 H THR 13 HN THR 13 1.926 -4.433 0.520 85 HA THR 13 HA THR 13 1.202 -5.603 3.126 86 HB THR 13 HB THR 13 3.613 -6.527 3.006 87 HG1 THR 13 HG1 THR 13 3.210 -6.048 0.247 88 HG21 THR 13 HG21 THR 13 1.544 -7.901 2.634 89 HG22 THR 13 HG22 THR 13 2.989 -8.477 1.803 90 HG23 THR 13 HG23 THR 13 1.742 -7.606 0.904 91 H GLN 14 HN GLN 14 2.171 -4.777 4.971 92 HA GLN 14 HA GLN 14 2.775 -2.098 5.112 93 HB2 GLN 14 HB2 GLN 14 3.633 -4.390 6.874 94 HB3 GLN 14 HB1 GLN 14 4.025 -2.720 7.260 95 HG2 GLN 14 HG2 GLN 14 2.096 -3.149 8.482 96 HG3 GLN 14 HG1 GLN 14 1.520 -2.270 7.067 97 HE21 GLN 14 HE21 GLN 14 0.237 -3.309 5.568 98 HE22 GLN 14 HE22 GLN 14 -0.436 -4.877 5.837 99 H PHE 15 HN PHE 15 4.792 -4.756 4.218 100 HA PHE 15 HA PHE 15 7.328 -3.588 4.429 101 HB2 PHE 15 HB2 PHE 15 6.107 -5.909 3.134 102 HB3 PHE 15 HB1 PHE 15 7.481 -5.276 2.246 103 HD1 PHE 15 HD2 PHE 15 9.672 -5.010 3.467 104 HD2 PHE 15 HD1 PHE 15 6.395 -7.207 5.058 105 HE1 PHE 15 HE2 PHE 15 11.201 -6.158 5.009 106 HE2 PHE 15 HE1 PHE 15 7.918 -8.363 6.608 107 HZ PHE 15 HZ PHE 15 10.326 -7.840 6.585 108 H ARG 16 HN ARG 16 4.887 -3.503 1.896 109 HA ARG 16 HA ARG 16 6.356 -2.331 -0.150 110 HB2 ARG 16 HB2 ARG 16 3.435 -1.919 0.504 111 HB3 ARG 16 HB1 ARG 16 4.193 -1.584 -1.038 112 HG2 ARG 16 HG2 ARG 16 4.124 -4.292 0.225 113 HG3 ARG 16 HG1 ARG 16 2.928 -3.712 -0.935 114 HD2 ARG 16 HD2 ARG 16 4.373 -4.806 -2.340 115 HD3 ARG 16 HD1 ARG 16 5.066 -3.186 -2.371 116 HE ARG 16 HE ARG 16 6.384 -4.399 -0.338 117 HH11 ARG 16 HH11 ARG 16 5.826 -5.241 -3.679 118 HH12 ARG 16 HH12 ARG 16 7.312 -6.116 -3.836 119 HH21 ARG 16 HH21 ARG 16 8.338 -5.551 -0.543 120 HH22 ARG 16 HH22 ARG 16 8.738 -6.293 -2.056 121 H CYS 17 HN CYS 17 4.496 -0.732 2.438 122 HA CYS 17 HA CYS 17 5.157 1.881 1.541 123 HB2 CYS 17 HB2 CYS 17 3.967 0.767 4.041 124 HB3 CYS 17 HB1 CYS 17 4.521 2.435 4.013 125 H ARG 18 HN ARG 18 6.816 -0.457 3.407 126 HA ARG 18 HA ARG 18 8.538 1.211 4.885 127 HB2 ARG 18 HB2 ARG 18 8.188 -1.543 4.541 128 HB3 ARG 18 HB1 ARG 18 9.844 -1.214 4.001 129 HG2 ARG 18 HG2 ARG 18 9.882 0.157 6.285 130 HG3 ARG 18 HG1 ARG 18 8.632 -1.015 6.710 131 HD2 ARG 18 HD2 ARG 18 10.112 -2.847 6.223 132 HD3 ARG 18 HD1 ARG 18 11.340 -1.744 5.604 133 HE ARG 18 HE ARG 18 10.851 -0.967 8.207 134 HH11 ARG 18 HH11 ARG 18 11.997 -3.834 6.580 135 HH12 ARG 18 HH12 ARG 18 12.983 -4.345 7.909 136 HH21 ARG 18 HH21 ARG 18 12.147 -1.638 9.956 137 HH22 ARG 18 HH22 ARG 18 13.068 -3.099 9.825 138 H THR 19 HN THR 19 8.953 -0.478 1.876 139 HA THR 19 HA THR 19 11.315 1.153 1.299 140 HB THR 19 HB THR 19 11.866 -1.084 1.717 141 HG1 THR 19 HG1 THR 19 13.001 -0.481 -0.071 142 HG21 THR 19 HG21 THR 19 9.667 -1.878 -0.160 143 HG22 THR 19 HG22 THR 19 9.753 -2.135 1.587 144 HG23 THR 19 HG23 THR 19 10.875 -2.978 0.511 145 H SER 20 HN SER 20 8.293 -0.037 -0.054 146 HA SER 20 HA SER 20 8.906 1.210 -2.632 147 HB2 SER 20 HB2 SER 20 7.068 -0.913 -1.716 148 HB3 SER 20 HB1 SER 20 6.439 0.137 -2.985 149 HG SER 20 HG SER 20 7.600 -1.012 -4.291 150 H MET 21 HN MET 21 8.313 3.232 -2.996 151 HA MET 21 HA MET 21 6.433 4.592 -1.293 152 HB2 MET 21 HB2 MET 21 8.374 5.327 -3.381 153 HB3 MET 21 HB1 MET 21 6.942 6.344 -3.325 154 HG2 MET 21 HG2 MET 21 7.488 7.249 -1.328 155 HG3 MET 21 HG1 MET 21 8.273 5.782 -0.752 156 HE1 MET 21 HE1 MET 21 10.100 4.805 -2.159 157 HE2 MET 21 HE2 MET 21 11.557 5.628 -1.602 158 HE3 MET 21 HE3 MET 21 11.105 5.690 -3.306 159 H LYS 22 HN LYS 22 6.451 3.325 -4.566 160 HA LYS 22 HA LYS 22 4.175 4.570 -5.580 161 HB2 LYS 22 HB2 LYS 22 5.730 3.339 -6.981 162 HB3 LYS 22 HB1 LYS 22 5.304 1.834 -6.181 163 HG2 LYS 22 HG2 LYS 22 3.914 1.547 -7.900 164 HG3 LYS 22 HG1 LYS 22 2.874 2.695 -7.058 165 HD2 LYS 22 HD2 LYS 22 3.286 4.355 -8.537 166 HD3 LYS 22 HD1 LYS 22 4.969 3.874 -8.765 167 HE2 LYS 22 HE2 LYS 22 4.098 3.344 -10.819 168 HE3 LYS 22 HE1 LYS 22 3.888 1.812 -9.972 169 HZ1 LYS 22 HZ1 LYS 22 1.791 2.012 -10.698 170 HZ2 LYS 22 HZ2 LYS 22 1.897 3.684 -10.927 171 HZ3 LYS 22 HZ3 LYS 22 1.598 3.060 -9.383 172 H TYR 23 HN TYR 23 4.431 1.444 -3.907 173 HA TYR 23 HA TYR 23 1.736 0.714 -4.097 174 HB2 TYR 23 HB2 TYR 23 3.946 -0.028 -2.213 175 HB3 TYR 23 HB1 TYR 23 2.320 -0.664 -1.989 176 HD1 TYR 23 HD1 TYR 23 4.350 -0.085 -5.063 177 HD2 TYR 23 HD2 TYR 23 2.341 -2.882 -2.577 178 HE1 TYR 23 HE1 TYR 23 4.840 -1.871 -6.687 179 HE2 TYR 23 HE2 TYR 23 2.823 -4.675 -4.178 180 HH TYR 23 HH TYR 23 4.366 -5.189 -5.966 181 H ARG 24 HN ARG 24 3.301 2.945 -1.987 182 HA ARG 24 HA ARG 24 1.328 2.872 0.085 183 HB2 ARG 24 HB2 ARG 24 2.994 5.297 -0.222 184 HB3 ARG 24 HB1 ARG 24 2.646 4.349 1.212 185 HG2 ARG 24 HG2 ARG 24 4.194 2.597 0.280 186 HG3 ARG 24 HG1 ARG 24 4.665 3.784 -0.934 187 HD2 ARG 24 HD2 ARG 24 5.313 5.333 0.867 188 HD3 ARG 24 HD1 ARG 24 4.915 4.092 2.054 189 HE ARG 24 HE ARG 24 6.680 2.772 0.608 190 HH11 ARG 24 HH11 ARG 24 6.798 6.092 1.713 191 HH12 ARG 24 HH12 ARG 24 8.526 6.136 1.779 192 HH21 ARG 24 HH21 ARG 24 8.953 2.842 0.704 193 HH22 ARG 24 HH22 ARG 24 9.749 4.295 1.207 194 H LEU 25 HN LEU 25 2.159 5.472 -2.196 195 HA LEU 25 HA LEU 25 -0.430 6.701 -1.692 196 HB2 LEU 25 HB2 LEU 25 1.754 7.733 -3.477 197 HB3 LEU 25 HB1 LEU 25 0.466 8.644 -2.707 198 HG LEU 25 HG LEU 25 2.226 9.232 -1.364 199 HD11 LEU 25 HD11 LEU 25 1.689 8.474 0.679 200 HD12 LEU 25 HD12 LEU 25 1.944 6.786 0.241 201 HD13 LEU 25 HD13 LEU 25 0.429 7.587 -0.176 202 HD21 LEU 25 HD21 LEU 25 3.730 6.950 -0.735 203 HD22 LEU 25 HD22 LEU 25 4.198 8.304 -1.761 204 HD23 LEU 25 HD23 LEU 25 3.438 6.883 -2.473 205 H ASN 26 HN ASN 26 1.393 5.349 -4.390 206 HA ASN 26 HA ASN 26 -0.511 6.061 -6.366 207 HB2 ASN 26 HB2 ASN 26 2.038 5.328 -6.471 208 HB3 ASN 26 HB1 ASN 26 1.308 3.758 -6.808 209 HD21 ASN 26 HD21 ASN 26 2.487 6.482 -8.188 210 HD22 ASN 26 HD22 ASN 26 1.668 6.421 -9.709 211 H LEU 27 HN LEU 27 -0.024 3.105 -4.458 212 HA LEU 27 HA LEU 27 -2.307 1.897 -5.839 213 HB2 LEU 27 HB2 LEU 27 -0.113 0.806 -4.131 214 HB3 LEU 27 HB1 LEU 27 -1.617 -0.083 -4.255 215 HG LEU 27 HG LEU 27 -1.332 -0.093 -6.741 216 HD11 LEU 27 HD11 LEU 27 1.204 0.215 -7.330 217 HD12 LEU 27 HD12 LEU 27 1.161 1.326 -5.961 218 HD13 LEU 27 HD13 LEU 27 0.095 1.586 -7.341 219 HD21 LEU 27 HD21 LEU 27 1.051 -1.363 -5.458 220 HD22 LEU 27 HD22 LEU 27 -0.012 -1.993 -6.716 221 HD23 LEU 27 HD23 LEU 27 -0.578 -1.898 -5.049 222 H CYS 28 HN CYS 28 -1.933 0.655 -2.679 223 HA CYS 28 HA CYS 28 -4.463 1.867 -1.901 224 HB2 CYS 28 HB2 CYS 28 -4.364 0.261 -0.065 225 HB3 CYS 28 HB1 CYS 28 -4.063 -0.548 -1.607 226 H LYS 29 HN LYS 29 -4.747 3.059 -0.039 227 HA LYS 29 HA LYS 29 -2.462 4.601 0.802 228 HB2 LYS 29 HB2 LYS 29 -5.365 4.773 1.614 229 HB3 LYS 29 HB1 LYS 29 -4.113 5.922 2.071 230 HG2 LYS 29 HG2 LYS 29 -4.083 5.605 -0.764 231 HG3 LYS 29 HG1 LYS 29 -5.736 5.930 -0.235 232 HD2 LYS 29 HD2 LYS 29 -5.248 8.037 0.427 233 HD3 LYS 29 HD1 LYS 29 -3.642 7.593 1.009 234 HE2 LYS 29 HE2 LYS 29 -2.920 7.425 -1.382 235 HE3 LYS 29 HE1 LYS 29 -4.486 8.091 -1.841 236 HZ1 LYS 29 HZ1 LYS 29 -2.192 9.406 -0.628 237 HZ2 LYS 29 HZ2 LYS 29 -3.710 9.899 -0.070 238 HZ3 LYS 29 HZ3 LYS 29 -3.338 10.011 -1.716 239 H LYS 30 HN LYS 30 -4.988 2.762 2.488 240 HA LYS 30 HA LYS 30 -3.453 2.724 4.915 241 HB2 LYS 30 HB2 LYS 30 -5.818 2.980 5.099 242 HB3 LYS 30 HB1 LYS 30 -6.104 1.516 4.166 243 HG2 LYS 30 HG2 LYS 30 -6.479 0.836 6.345 244 HG3 LYS 30 HG1 LYS 30 -4.815 0.327 6.046 245 HD2 LYS 30 HD2 LYS 30 -3.944 1.843 7.483 246 HD3 LYS 30 HD1 LYS 30 -5.191 3.044 7.141 247 HE2 LYS 30 HE2 LYS 30 -6.733 1.298 8.371 248 HE3 LYS 30 HE1 LYS 30 -5.204 0.784 9.083 249 HZ1 LYS 30 HZ1 LYS 30 -6.139 2.395 10.515 250 HZ2 LYS 30 HZ2 LYS 30 -6.457 3.465 9.245 251 HZ3 LYS 30 HZ3 LYS 30 -4.861 3.163 9.715 252 H THR 31 HN THR 31 -4.736 0.097 2.835 253 HA THR 31 HA THR 31 -3.742 -2.019 4.237 254 HB THR 31 HB THR 31 -3.842 -1.837 1.230 255 HG1 THR 31 HG1 THR 31 -5.789 -2.631 3.134 256 HG21 THR 31 HG21 THR 31 -2.623 -3.805 2.229 257 HG22 THR 31 HG22 THR 31 -3.996 -4.175 1.182 258 HG23 THR 31 HG23 THR 31 -4.168 -4.276 2.933 259 H CYS 32 HN CYS 32 -1.910 0.124 2.198 260 HA CYS 32 HA CYS 32 0.407 -1.588 2.099 261 HB2 CYS 32 HB2 CYS 32 0.243 -0.030 0.317 262 HB3 CYS 32 HB1 CYS 32 0.010 1.325 1.414 263 H GLY 33 HN GLY 33 -0.950 0.420 4.431 264 HA2 GLY 33 HA2 GLY 33 -0.247 0.573 6.658 265 HA3 GLY 33 HA1 GLY 33 1.340 0.000 6.174 266 H THR 34 HN THR 34 -0.592 2.802 5.082 267 HA THR 34 HA THR 34 1.458 4.560 6.214 268 HB THR 34 HB THR 34 2.209 4.380 3.969 269 HG1 THR 34 HG1 THR 34 2.301 6.452 3.606 270 HG21 THR 34 HG21 THR 34 -0.535 5.083 2.987 271 HG22 THR 34 HG22 THR 34 0.155 3.458 2.961 272 HG23 THR 34 HG23 THR 34 0.896 4.748 2.015 273 H CYS 35 HN CYS 35 -1.787 4.194 4.893 274 HA CYS 35 HA CYS 35 -2.649 6.840 5.440 275 HB2 CYS 35 HB2 CYS 35 -3.814 5.257 3.897 276 HB3 CYS 35 HB1 CYS 35 -4.361 4.352 5.302 Start of MODEL 5 1 H1 ALA 2 HT1 ALA 2 -11.800 7.650 1.276 2 H2 ALA 2 HT2 ALA 2 -11.046 7.591 -0.265 3 H3 ALA 2 HT3 ALA 2 -12.027 8.933 0.163 4 HA ALA 2 HA ALA 2 -9.764 9.532 0.293 5 HB1 ALA 2 HB1 ALA 2 -11.453 9.367 2.718 6 HB2 ALA 2 HB2 ALA 2 -10.811 10.776 1.873 7 HB3 ALA 2 HB3 ALA 2 -9.768 9.838 2.942 8 H CYS 3 HN CYS 3 -10.475 6.863 2.544 9 HA CYS 3 HA CYS 3 -7.663 6.029 2.280 10 HB2 CYS 3 HB2 CYS 3 -8.055 7.017 4.502 11 HB3 CYS 3 HB1 CYS 3 -9.360 5.869 4.780 12 H LYS 4 HN LYS 4 -7.835 4.340 0.925 13 HA LYS 4 HA LYS 4 -9.288 2.003 1.866 14 HB2 LYS 4 HB2 LYS 4 -10.047 3.576 -0.517 15 HB3 LYS 4 HB1 LYS 4 -9.937 1.839 -0.768 16 HG2 LYS 4 HG2 LYS 4 -11.352 2.095 1.602 17 HG3 LYS 4 HG1 LYS 4 -11.971 3.391 0.577 18 HD2 LYS 4 HD2 LYS 4 -11.904 1.348 -1.193 19 HD3 LYS 4 HD1 LYS 4 -12.224 0.468 0.303 20 HE2 LYS 4 HE2 LYS 4 -14.308 1.290 0.485 21 HE3 LYS 4 HE1 LYS 4 -13.825 2.900 -0.048 22 HZ1 LYS 4 HZ1 LYS 4 -14.330 2.441 -2.175 23 HZ2 LYS 4 HZ2 LYS 4 -15.328 1.254 -1.500 24 HZ3 LYS 4 HZ3 LYS 4 -13.798 0.837 -2.089 25 H ASP 5 HN ASP 5 -8.928 0.249 -0.095 26 HA ASP 5 HA ASP 5 -6.049 0.336 -0.627 27 HB2 ASP 5 HB2 ASP 5 -5.985 -2.088 -0.334 28 HB3 ASP 5 HB1 ASP 5 -6.611 -1.297 1.106 29 H TYR 6 HN TYR 6 -5.483 0.291 -2.658 30 HA TYR 6 HA TYR 6 -7.404 -0.125 -4.742 31 HB2 TYR 6 HB2 TYR 6 -4.742 0.971 -4.496 32 HB3 TYR 6 HB1 TYR 6 -4.842 -0.090 -5.894 33 HD1 TYR 6 HD2 TYR 6 -7.111 2.431 -4.307 34 HD2 TYR 6 HD1 TYR 6 -5.203 1.059 -7.853 35 HE1 TYR 6 HE2 TYR 6 -8.198 4.231 -5.581 36 HE2 TYR 6 HE1 TYR 6 -6.283 2.857 -9.137 37 HH TYR 6 HH TYR 6 -7.358 5.443 -8.136 38 H LEU 7 HN LEU 7 -5.562 -2.264 -2.911 39 HA LEU 7 HA LEU 7 -6.091 -4.395 -4.828 40 HB2 LEU 7 HB2 LEU 7 -3.346 -3.668 -3.870 41 HB3 LEU 7 HB1 LEU 7 -3.732 -5.302 -4.316 42 HG LEU 7 HG LEU 7 -4.362 -3.179 -6.291 43 HD11 LEU 7 HD11 LEU 7 -2.265 -2.370 -6.113 44 HD12 LEU 7 HD12 LEU 7 -1.855 -3.814 -7.038 45 HD13 LEU 7 HD13 LEU 7 -1.666 -3.808 -5.284 46 HD21 LEU 7 HD21 LEU 7 -3.131 -5.271 -7.545 47 HD22 LEU 7 HD22 LEU 7 -4.872 -5.110 -7.312 48 HD23 LEU 7 HD23 LEU 7 -3.916 -6.070 -6.181 49 HA PRO 8 HA PRO 8 -6.850 -7.062 -1.429 50 HB2 PRO 8 HB2 PRO 8 -4.739 -8.929 -2.344 51 HB3 PRO 8 HB1 PRO 8 -6.463 -9.216 -2.068 52 HG2 PRO 8 HG2 PRO 8 -5.556 -9.057 -4.511 53 HG3 PRO 8 HG1 PRO 8 -7.075 -8.250 -4.070 54 HD2 PRO 8 HD2 PRO 8 -4.329 -7.048 -4.378 55 HD3 PRO 8 HD1 PRO 8 -5.867 -6.461 -5.035 56 H LYS 9 HN LYS 9 -5.994 -8.210 0.337 57 HA LYS 9 HA LYS 9 -4.162 -6.686 1.837 58 HB2 LYS 9 HB2 LYS 9 -4.946 -9.554 2.367 59 HB3 LYS 9 HB1 LYS 9 -4.360 -8.382 3.539 60 HG2 LYS 9 HG2 LYS 9 -6.392 -7.036 3.165 61 HG3 LYS 9 HG1 LYS 9 -6.983 -8.282 2.064 62 HD2 LYS 9 HD2 LYS 9 -6.323 -8.691 4.981 63 HD3 LYS 9 HD1 LYS 9 -7.947 -8.504 4.315 64 HE2 LYS 9 HE2 LYS 9 -7.643 -10.523 2.982 65 HE3 LYS 9 HE1 LYS 9 -6.003 -10.700 3.605 66 HZ1 LYS 9 HZ1 LYS 9 -7.036 -12.035 5.072 67 HZ2 LYS 9 HZ2 LYS 9 -8.545 -11.295 4.878 68 HZ3 LYS 9 HZ3 LYS 9 -7.378 -10.584 5.875 69 H SER 10 HN SER 10 -3.673 -9.225 -0.428 70 HA SER 10 HA SER 10 -1.059 -9.959 0.565 71 HB2 SER 10 HB2 SER 10 -2.919 -11.321 -0.866 72 HB3 SER 10 HB1 SER 10 -1.835 -10.802 -2.156 73 HG SER 10 HG SER 10 -0.231 -11.969 -1.307 74 H GLU 11 HN GLU 11 -2.386 -8.038 -2.101 75 HA GLU 11 HA GLU 11 0.093 -7.614 -3.419 76 HB2 GLU 11 HB2 GLU 11 -2.668 -6.803 -3.676 77 HB3 GLU 11 HB1 GLU 11 -1.601 -5.435 -3.952 78 HG2 GLU 11 HG2 GLU 11 -0.839 -7.914 -5.330 79 HG3 GLU 11 HG1 GLU 11 -2.377 -7.211 -5.833 80 H CYS 12 HN CYS 12 -1.728 -5.903 -0.984 81 HA CYS 12 HA CYS 12 0.338 -3.842 -0.823 82 HB2 CYS 12 HB2 CYS 12 -2.517 -4.039 -0.042 83 HB3 CYS 12 HB1 CYS 12 -1.489 -2.978 0.928 84 H THR 13 HN THR 13 1.966 -4.360 0.436 85 HA THR 13 HA THR 13 1.386 -5.688 3.002 86 HB THR 13 HB THR 13 3.789 -6.581 2.746 87 HG1 THR 13 HG1 THR 13 3.291 -5.969 0.027 88 HG21 THR 13 HG21 THR 13 1.882 -7.588 0.642 89 HG22 THR 13 HG22 THR 13 1.706 -7.948 2.363 90 HG23 THR 13 HG23 THR 13 3.144 -8.483 1.495 91 H GLN 14 HN GLN 14 2.425 -4.913 4.830 92 HA GLN 14 HA GLN 14 2.998 -2.236 5.055 93 HB2 GLN 14 HB2 GLN 14 4.379 -4.357 6.705 94 HB3 GLN 14 HB1 GLN 14 3.986 -2.711 7.187 95 HG2 GLN 14 HG2 GLN 14 2.090 -5.001 6.746 96 HG3 GLN 14 HG1 GLN 14 2.441 -4.158 8.253 97 HE21 GLN 14 HE21 GLN 14 0.562 -4.200 5.385 98 HE22 GLN 14 HE22 GLN 14 -0.366 -2.779 5.706 99 H PHE 15 HN PHE 15 5.014 -4.825 3.970 100 HA PHE 15 HA PHE 15 7.543 -3.643 4.090 101 HB2 PHE 15 HB2 PHE 15 6.264 -5.907 2.756 102 HB3 PHE 15 HB1 PHE 15 7.582 -5.226 1.822 103 HD1 PHE 15 HD2 PHE 15 9.833 -4.969 2.967 104 HD2 PHE 15 HD1 PHE 15 6.670 -7.327 4.559 105 HE1 PHE 15 HE2 PHE 15 11.450 -6.182 4.362 106 HE2 PHE 15 HE1 PHE 15 8.283 -8.549 5.961 107 HZ PHE 15 HZ PHE 15 10.677 -7.978 5.864 108 H ARG 16 HN ARG 16 4.970 -3.423 1.710 109 HA ARG 16 HA ARG 16 6.379 -2.144 -0.338 110 HB2 ARG 16 HB2 ARG 16 3.465 -1.717 0.317 111 HB3 ARG 16 HB1 ARG 16 4.238 -1.561 -1.245 112 HG2 ARG 16 HG2 ARG 16 3.978 -4.119 0.287 113 HG3 ARG 16 HG1 ARG 16 2.924 -3.611 -1.032 114 HD2 ARG 16 HD2 ARG 16 5.149 -3.385 -2.360 115 HD3 ARG 16 HD1 ARG 16 5.797 -4.441 -1.106 116 HE ARG 16 HE ARG 16 3.369 -5.380 -2.360 117 HH11 ARG 16 HH11 ARG 16 6.861 -5.415 -2.414 118 HH12 ARG 16 HH12 ARG 16 6.955 -6.899 -3.300 119 HH21 ARG 16 HH21 ARG 16 3.494 -7.331 -3.524 120 HH22 ARG 16 HH22 ARG 16 5.045 -7.987 -3.931 121 H CYS 17 HN CYS 17 4.562 -0.744 2.387 122 HA CYS 17 HA CYS 17 5.063 1.937 1.591 123 HB2 CYS 17 HB2 CYS 17 4.061 0.651 4.093 124 HB3 CYS 17 HB1 CYS 17 4.534 2.344 4.114 125 H ARG 18 HN ARG 18 6.911 -0.411 3.270 126 HA ARG 18 HA ARG 18 8.630 1.273 4.738 127 HB2 ARG 18 HB2 ARG 18 8.367 -1.481 4.304 128 HB3 ARG 18 HB1 ARG 18 9.990 -1.068 3.722 129 HG2 ARG 18 HG2 ARG 18 10.545 -0.122 5.876 130 HG3 ARG 18 HG1 ARG 18 8.903 -0.390 6.463 131 HD2 ARG 18 HD2 ARG 18 9.741 -2.306 7.280 132 HD3 ARG 18 HD1 ARG 18 9.581 -2.883 5.621 133 HE ARG 18 HE ARG 18 12.084 -1.585 6.088 134 HH11 ARG 18 HH11 ARG 18 10.359 -4.594 6.476 135 HH12 ARG 18 HH12 ARG 18 11.795 -5.561 6.483 136 HH21 ARG 18 HH21 ARG 18 13.974 -2.855 6.099 137 HH22 ARG 18 HH22 ARG 18 13.848 -4.574 6.270 138 H THR 19 HN THR 19 8.981 -0.298 1.657 139 HA THR 19 HA THR 19 11.255 1.441 1.046 140 HB THR 19 HB THR 19 11.907 -0.783 1.365 141 HG1 THR 19 HG1 THR 19 13.005 -0.903 -0.436 142 HG21 THR 19 HG21 THR 19 9.840 -1.919 1.284 143 HG22 THR 19 HG22 THR 19 10.944 -2.675 0.126 144 HG23 THR 19 HG23 THR 19 9.663 -1.601 -0.444 145 H SER 20 HN SER 20 8.226 0.185 -0.228 146 HA SER 20 HA SER 20 8.691 1.531 -2.786 147 HB2 SER 20 HB2 SER 20 6.854 -0.611 -1.841 148 HB3 SER 20 HB1 SER 20 6.292 0.417 -3.160 149 HG SER 20 HG SER 20 8.766 -0.976 -3.127 150 H MET 21 HN MET 21 8.055 3.558 -3.033 151 HA MET 21 HA MET 21 6.196 4.799 -1.221 152 HB2 MET 21 HB2 MET 21 8.076 5.666 -3.301 153 HB3 MET 21 HB1 MET 21 6.611 6.634 -3.218 154 HG2 MET 21 HG2 MET 21 7.112 7.477 -1.172 155 HG3 MET 21 HG1 MET 21 8.007 6.042 -0.676 156 HE1 MET 21 HE1 MET 21 9.233 9.152 -0.118 157 HE2 MET 21 HE2 MET 21 10.865 8.503 -0.279 158 HE3 MET 21 HE3 MET 21 9.603 7.537 0.485 159 H LYS 22 HN LYS 22 6.125 3.635 -4.530 160 HA LYS 22 HA LYS 22 3.766 4.890 -5.381 161 HB2 LYS 22 HB2 LYS 22 5.343 3.832 -6.916 162 HB3 LYS 22 HB1 LYS 22 4.958 2.253 -6.248 163 HG2 LYS 22 HG2 LYS 22 3.557 2.122 -7.986 164 HG3 LYS 22 HG1 LYS 22 2.497 3.106 -6.977 165 HD2 LYS 22 HD2 LYS 22 2.470 4.491 -8.749 166 HD3 LYS 22 HD1 LYS 22 4.041 5.016 -8.140 167 HE2 LYS 22 HE2 LYS 22 4.932 3.023 -9.576 168 HE3 LYS 22 HE1 LYS 22 3.396 3.201 -10.422 169 HZ1 LYS 22 HZ1 LYS 22 3.987 5.593 -10.712 170 HZ2 LYS 22 HZ2 LYS 22 4.988 4.518 -11.550 171 HZ3 LYS 22 HZ3 LYS 22 5.531 5.236 -10.118 172 H TYR 23 HN TYR 23 4.259 1.778 -3.769 173 HA TYR 23 HA TYR 23 1.594 0.872 -3.985 174 HB2 TYR 23 HB2 TYR 23 3.886 0.159 -2.186 175 HB3 TYR 23 HB1 TYR 23 2.305 -0.586 -1.984 176 HD1 TYR 23 HD2 TYR 23 4.264 0.290 -5.036 177 HD2 TYR 23 HD1 TYR 23 2.445 -2.762 -2.706 178 HE1 TYR 23 HE2 TYR 23 4.834 -1.364 -6.768 179 HE2 TYR 23 HE1 TYR 23 3.010 -4.424 -4.418 180 HH TYR 23 HH TYR 23 5.203 -3.844 -6.895 181 H ARG 24 HN ARG 24 3.106 3.085 -1.823 182 HA ARG 24 HA ARG 24 1.201 2.820 0.300 183 HB2 ARG 24 HB2 ARG 24 2.724 5.335 0.114 184 HB3 ARG 24 HB1 ARG 24 2.520 4.244 1.471 185 HG2 ARG 24 HG2 ARG 24 4.121 2.690 0.289 186 HG3 ARG 24 HG1 ARG 24 4.450 4.023 -0.814 187 HD2 ARG 24 HD2 ARG 24 5.131 5.419 1.073 188 HD3 ARG 24 HD1 ARG 24 4.817 4.081 2.177 189 HE ARG 24 HE ARG 24 6.572 2.930 0.594 190 HH11 ARG 24 HH11 ARG 24 6.620 6.182 1.889 191 HH12 ARG 24 HH12 ARG 24 8.347 6.287 1.887 192 HH21 ARG 24 HH21 ARG 24 8.841 3.077 0.606 193 HH22 ARG 24 HH22 ARG 24 9.607 4.527 1.162 194 H LEU 25 HN LEU 25 1.861 5.557 -1.877 195 HA LEU 25 HA LEU 25 -0.753 6.661 -1.231 196 HB2 LEU 25 HB2 LEU 25 1.327 7.855 -3.040 197 HB3 LEU 25 HB1 LEU 25 0.032 8.680 -2.188 198 HG LEU 25 HG LEU 25 1.820 9.277 -0.883 199 HD11 LEU 25 HD11 LEU 25 1.658 6.758 0.626 200 HD12 LEU 25 HD12 LEU 25 0.111 7.537 0.294 201 HD13 LEU 25 HD13 LEU 25 1.376 8.420 1.145 202 HD21 LEU 25 HD21 LEU 25 3.812 8.430 -1.348 203 HD22 LEU 25 HD22 LEU 25 3.075 7.036 -2.137 204 HD23 LEU 25 HD23 LEU 25 3.401 6.999 -0.403 205 H ASN 26 HN ASN 26 1.020 5.530 -4.070 206 HA ASN 26 HA ASN 26 -1.002 6.252 -5.922 207 HB2 ASN 26 HB2 ASN 26 1.584 5.612 -6.153 208 HB3 ASN 26 HB1 ASN 26 0.870 4.065 -6.608 209 HD21 ASN 26 HD21 ASN 26 0.103 3.821 -8.606 210 HD22 ASN 26 HD22 ASN 26 -0.053 5.085 -9.773 211 H LEU 27 HN LEU 27 -0.294 3.230 -4.200 212 HA LEU 27 HA LEU 27 -2.553 1.963 -5.562 213 HB2 LEU 27 HB2 LEU 27 -0.247 0.954 -3.973 214 HB3 LEU 27 HB1 LEU 27 -1.714 -0.002 -3.989 215 HG LEU 27 HG LEU 27 -1.606 -0.032 -6.481 216 HD11 LEU 27 HD11 LEU 27 0.287 0.702 -7.649 217 HD12 LEU 27 HD12 LEU 27 1.213 0.945 -6.167 218 HD13 LEU 27 HD13 LEU 27 -0.121 2.029 -6.561 219 HD21 LEU 27 HD21 LEU 27 -0.021 -1.787 -6.578 220 HD22 LEU 27 HD22 LEU 27 -0.727 -1.834 -4.962 221 HD23 LEU 27 HD23 LEU 27 0.879 -1.145 -5.203 222 H CYS 28 HN CYS 28 -2.053 0.673 -2.432 223 HA CYS 28 HA CYS 28 -4.627 1.748 -1.587 224 HB2 CYS 28 HB2 CYS 28 -4.429 0.084 0.200 225 HB3 CYS 28 HB1 CYS 28 -4.155 -0.657 -1.380 226 H LYS 29 HN LYS 29 -4.922 2.864 0.324 227 HA LYS 29 HA LYS 29 -2.674 4.445 1.191 228 HB2 LYS 29 HB2 LYS 29 -5.578 4.493 2.019 229 HB3 LYS 29 HB1 LYS 29 -4.360 5.643 2.558 230 HG2 LYS 29 HG2 LYS 29 -4.380 5.439 -0.319 231 HG3 LYS 29 HG1 LYS 29 -5.985 5.835 0.304 232 HD2 LYS 29 HD2 LYS 29 -5.359 7.905 0.897 233 HD3 LYS 29 HD1 LYS 29 -3.845 7.337 1.603 234 HE2 LYS 29 HE2 LYS 29 -2.902 8.431 -0.119 235 HE3 LYS 29 HE1 LYS 29 -3.343 6.994 -1.039 236 HZ1 LYS 29 HZ1 LYS 29 -4.016 9.140 -2.069 237 HZ2 LYS 29 HZ2 LYS 29 -5.093 9.376 -0.786 238 HZ3 LYS 29 HZ3 LYS 29 -5.296 8.060 -1.828 239 H LYS 30 HN LYS 30 -5.116 2.466 2.836 240 HA LYS 30 HA LYS 30 -3.541 2.375 5.235 241 HB2 LYS 30 HB2 LYS 30 -5.907 2.557 5.469 242 HB3 LYS 30 HB1 LYS 30 -6.169 1.124 4.483 243 HG2 LYS 30 HG2 LYS 30 -6.489 0.376 6.659 244 HG3 LYS 30 HG1 LYS 30 -4.839 -0.122 6.272 245 HD2 LYS 30 HD2 LYS 30 -4.327 0.851 8.227 246 HD3 LYS 30 HD1 LYS 30 -4.410 2.349 7.299 247 HE2 LYS 30 HE2 LYS 30 -7.001 1.425 8.295 248 HE3 LYS 30 HE1 LYS 30 -5.842 1.802 9.569 249 HZ1 LYS 30 HZ1 LYS 30 -7.351 3.656 8.637 250 HZ2 LYS 30 HZ2 LYS 30 -6.253 3.694 7.351 251 HZ3 LYS 30 HZ3 LYS 30 -5.718 3.996 8.927 252 H THR 31 HN THR 31 -4.782 -0.202 3.062 253 HA THR 31 HA THR 31 -3.708 -2.343 4.363 254 HB THR 31 HB THR 31 -3.852 -2.039 1.368 255 HG1 THR 31 HG1 THR 31 -5.749 -2.898 3.291 256 HG21 THR 31 HG21 THR 31 -3.953 -4.383 1.232 257 HG22 THR 31 HG22 THR 31 -4.072 -4.551 2.982 258 HG23 THR 31 HG23 THR 31 -2.562 -4.008 2.253 259 H CYS 32 HN CYS 32 -1.963 -0.063 2.396 260 HA CYS 32 HA CYS 32 0.398 -1.706 2.198 261 HB2 CYS 32 HB2 CYS 32 0.148 -0.061 0.489 262 HB3 CYS 32 HB1 CYS 32 -0.055 1.234 1.663 263 H GLY 33 HN GLY 33 -0.985 0.163 4.625 264 HA2 GLY 33 HA2 GLY 33 -0.265 0.246 6.850 265 HA3 GLY 33 HA1 GLY 33 1.330 -0.269 6.329 266 H THR 34 HN THR 34 -0.651 2.524 5.315 267 HA THR 34 HA THR 34 1.367 4.283 6.511 268 HB THR 34 HB THR 34 2.063 4.186 4.233 269 HG1 THR 34 HG1 THR 34 1.946 6.287 5.171 270 HG21 THR 34 HG21 THR 34 -0.715 4.931 3.381 271 HG22 THR 34 HG22 THR 34 -0.001 3.324 3.221 272 HG23 THR 34 HG23 THR 34 0.688 4.688 2.341 273 H CYS 35 HN CYS 35 -1.902 3.876 5.277 274 HA CYS 35 HA CYS 35 -2.805 6.489 5.912 275 HB2 CYS 35 HB2 CYS 35 -3.988 4.921 4.370 276 HB3 CYS 35 HB1 CYS 35 -4.469 3.970 5.770 Start of MODEL 6 1 H1 ALA 2 HT1 ALA 2 -12.783 5.503 4.971 2 H2 ALA 2 HT2 ALA 2 -12.623 6.458 6.389 3 H3 ALA 2 HT3 ALA 2 -11.256 5.649 5.736 4 HA ALA 2 HA ALA 2 -12.786 7.771 4.392 5 HB1 ALA 2 HB1 ALA 2 -10.486 8.954 4.818 6 HB2 ALA 2 HB2 ALA 2 -10.391 7.819 6.164 7 HB3 ALA 2 HB3 ALA 2 -11.739 8.950 6.058 8 H CYS 3 HN CYS 3 -9.665 6.045 4.535 9 HA CYS 3 HA CYS 3 -9.402 6.394 1.636 10 HB2 CYS 3 HB2 CYS 3 -7.042 5.636 2.022 11 HB3 CYS 3 HB1 CYS 3 -7.467 7.128 2.853 12 H LYS 4 HN LYS 4 -8.583 4.558 0.366 13 HA LYS 4 HA LYS 4 -9.385 1.949 1.463 14 HB2 LYS 4 HB2 LYS 4 -10.040 2.965 -1.309 15 HB3 LYS 4 HB1 LYS 4 -10.415 1.364 -0.685 16 HG2 LYS 4 HG2 LYS 4 -11.432 3.602 0.923 17 HG3 LYS 4 HG1 LYS 4 -12.134 3.443 -0.688 18 HD2 LYS 4 HD2 LYS 4 -12.393 0.942 -0.057 19 HD3 LYS 4 HD1 LYS 4 -12.189 1.512 1.600 20 HE2 LYS 4 HE2 LYS 4 -14.085 2.999 1.355 21 HE3 LYS 4 HE1 LYS 4 -14.256 2.541 -0.339 22 HZ1 LYS 4 HZ1 LYS 4 -15.638 1.412 1.621 23 HZ2 LYS 4 HZ2 LYS 4 -14.310 0.365 1.588 24 HZ3 LYS 4 HZ3 LYS 4 -15.236 0.599 0.192 25 H ASP 5 HN ASP 5 -8.776 0.261 -0.474 26 HA ASP 5 HA ASP 5 -5.964 0.799 -1.106 27 HB2 ASP 5 HB2 ASP 5 -5.514 -1.590 -0.729 28 HB3 ASP 5 HB1 ASP 5 -6.153 -0.814 0.716 29 H TYR 6 HN TYR 6 -5.368 0.554 -3.136 30 HA TYR 6 HA TYR 6 -7.270 -0.003 -5.171 31 HB2 TYR 6 HB2 TYR 6 -4.722 1.184 -5.022 32 HB3 TYR 6 HB1 TYR 6 -4.551 -0.176 -6.127 33 HD1 TYR 6 HD1 TYR 6 -6.979 2.595 -5.462 34 HD2 TYR 6 HD2 TYR 6 -4.912 0.261 -8.357 35 HE1 TYR 6 HE1 TYR 6 -7.988 3.939 -7.257 36 HE2 TYR 6 HE2 TYR 6 -5.915 1.598 -10.161 37 HH TYR 6 HH TYR 6 -8.486 3.807 -9.600 38 H LEU 7 HN LEU 7 -5.380 -2.038 -3.235 39 HA LEU 7 HA LEU 7 -5.992 -4.297 -4.994 40 HB2 LEU 7 HB2 LEU 7 -3.297 -3.479 -4.019 41 HB3 LEU 7 HB1 LEU 7 -3.642 -5.171 -4.154 42 HG LEU 7 HG LEU 7 -4.261 -3.475 -6.502 43 HD11 LEU 7 HD11 LEU 7 -2.190 -2.599 -6.441 44 HD12 LEU 7 HD12 LEU 7 -1.731 -4.178 -7.079 45 HD13 LEU 7 HD13 LEU 7 -1.581 -3.847 -5.353 46 HD21 LEU 7 HD21 LEU 7 -4.714 -5.555 -7.184 47 HD22 LEU 7 HD22 LEU 7 -3.772 -6.288 -5.889 48 HD23 LEU 7 HD23 LEU 7 -2.967 -5.721 -7.349 49 HA PRO 8 HA PRO 8 -6.896 -6.348 -1.194 50 HB2 PRO 8 HB2 PRO 8 -6.237 -8.890 -1.551 51 HB3 PRO 8 HB1 PRO 8 -7.454 -8.118 -2.578 52 HG2 PRO 8 HG2 PRO 8 -4.598 -8.719 -3.138 53 HG3 PRO 8 HG1 PRO 8 -6.007 -8.863 -4.202 54 HD2 PRO 8 HD2 PRO 8 -4.212 -6.747 -4.172 55 HD3 PRO 8 HD1 PRO 8 -5.817 -6.670 -4.888 56 H LYS 9 HN LYS 9 -6.125 -7.610 0.609 57 HA LYS 9 HA LYS 9 -3.887 -6.521 1.808 58 HB2 LYS 9 HB2 LYS 9 -5.123 -9.197 2.462 59 HB3 LYS 9 HB1 LYS 9 -4.143 -8.209 3.537 60 HG2 LYS 9 HG2 LYS 9 -5.829 -6.732 3.950 61 HG3 LYS 9 HG1 LYS 9 -6.599 -7.002 2.385 62 HD2 LYS 9 HD2 LYS 9 -6.539 -9.083 4.559 63 HD3 LYS 9 HD1 LYS 9 -7.834 -7.895 4.406 64 HE2 LYS 9 HE2 LYS 9 -8.707 -8.882 2.563 65 HE3 LYS 9 HE1 LYS 9 -7.131 -9.393 1.960 66 HZ1 LYS 9 HZ1 LYS 9 -7.260 -11.350 3.030 67 HZ2 LYS 9 HZ2 LYS 9 -8.926 -11.060 2.996 68 HZ3 LYS 9 HZ3 LYS 9 -8.035 -10.701 4.388 69 H SER 10 HN SER 10 -4.028 -9.132 -0.439 70 HA SER 10 HA SER 10 -1.522 -10.306 0.339 71 HB2 SER 10 HB2 SER 10 -1.819 -11.773 -1.551 72 HB3 SER 10 HB1 SER 10 -3.375 -11.594 -0.741 73 HG SER 10 HG SER 10 -2.729 -11.025 -3.275 74 H GLU 11 HN GLU 11 -2.460 -7.663 -1.675 75 HA GLU 11 HA GLU 11 0.081 -7.725 -3.134 76 HB2 GLU 11 HB2 GLU 11 -2.586 -6.667 -3.571 77 HB3 GLU 11 HB1 GLU 11 -1.352 -5.468 -3.907 78 HG2 GLU 11 HG2 GLU 11 -0.715 -8.047 -5.067 79 HG3 GLU 11 HG1 GLU 11 -2.286 -7.446 -5.606 80 H CYS 12 HN CYS 12 -1.771 -5.775 -0.896 81 HA CYS 12 HA CYS 12 0.401 -3.836 -0.720 82 HB2 CYS 12 HB2 CYS 12 -2.490 -3.859 -0.090 83 HB3 CYS 12 HB1 CYS 12 -1.472 -2.822 0.917 84 H THR 13 HN THR 13 1.953 -4.369 0.630 85 HA THR 13 HA THR 13 1.210 -5.555 3.224 86 HB THR 13 HB THR 13 3.612 -6.468 3.158 87 HG1 THR 13 HG1 THR 13 4.734 -5.865 1.521 88 HG21 THR 13 HG21 THR 13 1.530 -7.821 2.641 89 HG22 THR 13 HG22 THR 13 3.046 -8.414 1.965 90 HG23 THR 13 HG23 THR 13 1.899 -7.551 0.935 91 H GLN 14 HN GLN 14 2.154 -4.704 5.079 92 HA GLN 14 HA GLN 14 2.734 -2.015 5.197 93 HB2 GLN 14 HB2 GLN 14 3.580 -4.284 6.994 94 HB3 GLN 14 HB1 GLN 14 3.968 -2.609 7.365 95 HG2 GLN 14 HG2 GLN 14 2.027 -3.032 8.573 96 HG3 GLN 14 HG1 GLN 14 1.466 -2.162 7.146 97 HE21 GLN 14 HE21 GLN 14 0.209 -3.215 5.632 98 HE22 GLN 14 HE22 GLN 14 -0.472 -4.779 5.907 99 H PHE 15 HN PHE 15 4.768 -4.673 4.351 100 HA PHE 15 HA PHE 15 7.301 -3.498 4.574 101 HB2 PHE 15 HB2 PHE 15 6.094 -5.836 3.295 102 HB3 PHE 15 HB1 PHE 15 7.476 -5.212 2.413 103 HD1 PHE 15 HD2 PHE 15 9.662 -4.961 3.622 104 HD2 PHE 15 HD1 PHE 15 6.359 -7.079 5.266 105 HE1 PHE 15 HE2 PHE 15 11.178 -6.091 5.190 106 HE2 PHE 15 HE1 PHE 15 7.869 -8.217 6.842 107 HZ PHE 15 HZ PHE 15 10.283 -7.724 6.806 108 H ARG 16 HN ARG 16 4.899 -3.476 1.996 109 HA ARG 16 HA ARG 16 6.375 -2.327 -0.048 110 HB2 ARG 16 HB2 ARG 16 3.453 -1.918 0.601 111 HB3 ARG 16 HB1 ARG 16 4.207 -1.539 -0.934 112 HG2 ARG 16 HG2 ARG 16 4.174 -4.280 0.264 113 HG3 ARG 16 HG1 ARG 16 2.959 -3.686 -0.867 114 HD2 ARG 16 HD2 ARG 16 4.395 -4.716 -2.323 115 HD3 ARG 16 HD1 ARG 16 5.085 -3.094 -2.305 116 HE ARG 16 HE ARG 16 6.948 -3.928 -1.262 117 HH11 ARG 16 HH11 ARG 16 4.402 -6.311 -1.121 118 HH12 ARG 16 HH12 ARG 16 5.434 -7.560 -0.512 119 HH21 ARG 16 HH21 ARG 16 8.307 -5.571 -0.459 120 HH22 ARG 16 HH22 ARG 16 7.650 -7.140 -0.135 121 H CYS 17 HN CYS 17 4.491 -0.665 2.483 122 HA CYS 17 HA CYS 17 5.191 1.917 1.551 123 HB2 CYS 17 HB2 CYS 17 3.968 0.870 4.064 124 HB3 CYS 17 HB1 CYS 17 4.528 2.535 3.997 125 H ARG 18 HN ARG 18 6.793 -0.386 3.520 126 HA ARG 18 HA ARG 18 8.517 1.291 4.970 127 HB2 ARG 18 HB2 ARG 18 8.169 -1.469 4.643 128 HB3 ARG 18 HB1 ARG 18 9.835 -1.141 4.136 129 HG2 ARG 18 HG2 ARG 18 10.113 0.089 6.327 130 HG3 ARG 18 HG1 ARG 18 8.552 -0.578 6.811 131 HD2 ARG 18 HD2 ARG 18 9.397 -2.832 6.534 132 HD3 ARG 18 HD1 ARG 18 10.936 -2.209 5.942 133 HE ARG 18 HE ARG 18 10.141 -2.492 8.658 134 HH11 ARG 18 HH11 ARG 18 12.019 -0.485 6.509 135 HH12 ARG 18 HH12 ARG 18 13.090 0.063 7.754 136 HH21 ARG 18 HH21 ARG 18 11.550 -1.774 10.298 137 HH22 ARG 18 HH22 ARG 18 12.825 -0.669 9.906 138 H THR 19 HN THR 19 8.954 -0.429 1.981 139 HA THR 19 HA THR 19 11.323 1.194 1.413 140 HB THR 19 HB THR 19 11.869 -1.037 1.861 141 HG1 THR 19 HG1 THR 19 13.110 -0.771 0.160 142 HG21 THR 19 HG21 THR 19 9.743 -2.078 1.708 143 HG22 THR 19 HG22 THR 19 10.895 -2.949 0.686 144 HG23 THR 19 HG23 THR 19 9.708 -1.865 -0.046 145 H SER 20 HN SER 20 8.315 -0.005 0.031 146 HA SER 20 HA SER 20 8.963 1.250 -2.540 147 HB2 SER 20 HB2 SER 20 7.834 -1.152 -2.062 148 HB3 SER 20 HB1 SER 20 6.381 -0.163 -2.208 149 HG SER 20 HG SER 20 6.688 -0.358 -4.271 150 H MET 21 HN MET 21 8.295 3.241 -2.950 151 HA MET 21 HA MET 21 6.375 4.561 -1.263 152 HB2 MET 21 HB2 MET 21 8.313 5.331 -3.328 153 HB3 MET 21 HB1 MET 21 6.841 6.293 -3.337 154 HG2 MET 21 HG2 MET 21 7.204 7.090 -1.180 155 HG3 MET 21 HG1 MET 21 8.366 5.818 -0.808 156 HE1 MET 21 HE1 MET 21 8.983 8.352 0.151 157 HE2 MET 21 HE2 MET 21 10.320 9.205 -0.622 158 HE3 MET 21 HE3 MET 21 10.554 7.567 -0.010 159 H LYS 22 HN LYS 22 6.446 3.381 -4.590 160 HA LYS 22 HA LYS 22 4.142 4.523 -5.589 161 HB2 LYS 22 HB2 LYS 22 5.692 3.254 -6.968 162 HB3 LYS 22 HB1 LYS 22 5.256 1.769 -6.134 163 HG2 LYS 22 HG2 LYS 22 2.867 2.267 -6.962 164 HG3 LYS 22 HG1 LYS 22 3.657 3.369 -8.090 165 HD2 LYS 22 HD2 LYS 22 5.145 1.030 -8.257 166 HD3 LYS 22 HD1 LYS 22 3.474 0.475 -8.136 167 HE2 LYS 22 HE2 LYS 22 3.891 0.745 -10.440 168 HE3 LYS 22 HE1 LYS 22 2.933 2.146 -9.961 169 HZ1 LYS 22 HZ1 LYS 22 4.630 3.549 -10.351 170 HZ2 LYS 22 HZ2 LYS 22 5.182 2.314 -11.367 171 HZ3 LYS 22 HZ3 LYS 22 5.814 2.470 -9.806 172 H TYR 23 HN TYR 23 4.386 1.340 -4.009 173 HA TYR 23 HA TYR 23 1.716 0.625 -4.108 174 HB2 TYR 23 HB2 TYR 23 3.935 -0.043 -2.211 175 HB3 TYR 23 HB1 TYR 23 2.311 -0.660 -1.931 176 HD1 TYR 23 HD2 TYR 23 4.372 -0.242 -5.013 177 HD2 TYR 23 HD1 TYR 23 2.226 -2.884 -2.472 178 HE1 TYR 23 HE2 TYR 23 4.822 -2.096 -6.572 179 HE2 TYR 23 HE1 TYR 23 2.669 -4.745 -4.008 180 HH TYR 23 HH TYR 23 4.968 -4.723 -6.312 181 H ARG 24 HN ARG 24 3.305 2.844 -1.976 182 HA ARG 24 HA ARG 24 1.288 2.881 0.041 183 HB2 ARG 24 HB2 ARG 24 3.016 5.261 -0.339 184 HB3 ARG 24 HB1 ARG 24 2.588 4.412 1.135 185 HG2 ARG 24 HG2 ARG 24 4.116 2.573 0.401 186 HG3 ARG 24 HG1 ARG 24 4.647 3.627 -0.906 187 HD2 ARG 24 HD2 ARG 24 5.244 5.334 0.810 188 HD3 ARG 24 HD1 ARG 24 4.888 4.135 2.053 189 HE ARG 24 HE ARG 24 6.665 2.797 0.632 190 HH11 ARG 24 HH11 ARG 24 6.720 6.153 1.627 191 HH12 ARG 24 HH12 ARG 24 8.447 6.238 1.668 192 HH21 ARG 24 HH21 ARG 24 8.935 2.920 0.697 193 HH22 ARG 24 HH22 ARG 24 9.705 4.405 1.142 194 H LEU 25 HN LEU 25 2.194 5.399 -2.303 195 HA LEU 25 HA LEU 25 -0.386 6.681 -1.886 196 HB2 LEU 25 HB2 LEU 25 1.833 7.628 -3.674 197 HB3 LEU 25 HB1 LEU 25 0.555 8.579 -2.935 198 HG LEU 25 HG LEU 25 2.315 9.175 -1.597 199 HD11 LEU 25 HD11 LEU 25 1.764 8.473 0.463 200 HD12 LEU 25 HD12 LEU 25 1.991 6.771 0.063 201 HD13 LEU 25 HD13 LEU 25 0.491 7.589 -0.376 202 HD21 LEU 25 HD21 LEU 25 3.779 6.875 -0.914 203 HD22 LEU 25 HD22 LEU 25 4.279 8.213 -1.946 204 HD23 LEU 25 HD23 LEU 25 3.505 6.798 -2.655 205 H ASN 26 HN ASN 26 1.463 5.202 -4.496 206 HA ASN 26 HA ASN 26 -0.377 5.881 -6.543 207 HB2 ASN 26 HB2 ASN 26 2.150 5.125 -6.579 208 HB3 ASN 26 HB1 ASN 26 1.429 3.533 -6.820 209 HD21 ASN 26 HD21 ASN 26 -0.493 3.697 -8.481 210 HD22 ASN 26 HD22 ASN 26 -0.078 4.485 -9.961 211 H LEU 27 HN LEU 27 -0.001 2.973 -4.532 212 HA LEU 27 HA LEU 27 -2.292 1.788 -5.928 213 HB2 LEU 27 HB2 LEU 27 -0.123 0.675 -4.209 214 HB3 LEU 27 HB1 LEU 27 -1.648 -0.181 -4.300 215 HG LEU 27 HG LEU 27 -1.392 -0.268 -6.779 216 HD11 LEU 27 HD11 LEU 27 0.075 1.572 -7.170 217 HD12 LEU 27 HD12 LEU 27 0.909 0.096 -7.656 218 HD13 LEU 27 HD13 LEU 27 1.314 0.875 -6.126 219 HD21 LEU 27 HD21 LEU 27 0.986 -1.518 -5.454 220 HD22 LEU 27 HD22 LEU 27 -0.044 -2.166 -6.730 221 HD23 LEU 27 HD23 LEU 27 -0.655 -2.046 -5.080 222 H CYS 28 HN CYS 28 -1.912 0.610 -2.732 223 HA CYS 28 HA CYS 28 -4.449 1.825 -1.980 224 HB2 CYS 28 HB2 CYS 28 -4.377 0.247 -0.138 225 HB3 CYS 28 HB1 CYS 28 -3.997 -0.594 -1.644 226 H LYS 29 HN LYS 29 -4.741 3.052 -0.137 227 HA LYS 29 HA LYS 29 -2.463 4.623 0.672 228 HB2 LYS 29 HB2 LYS 29 -5.386 4.789 1.402 229 HB3 LYS 29 HB1 LYS 29 -4.159 5.910 1.979 230 HG2 LYS 29 HG2 LYS 29 -4.032 5.664 -0.885 231 HG3 LYS 29 HG1 LYS 29 -5.664 6.093 -0.365 232 HD2 LYS 29 HD2 LYS 29 -5.031 8.134 0.386 233 HD3 LYS 29 HD1 LYS 29 -3.458 7.558 0.941 234 HE2 LYS 29 HE2 LYS 29 -3.071 7.303 -1.678 235 HE3 LYS 29 HE1 LYS 29 -4.283 8.582 -1.719 236 HZ1 LYS 29 HZ1 LYS 29 -1.701 9.067 -1.482 237 HZ2 LYS 29 HZ2 LYS 29 -2.082 8.922 0.160 238 HZ3 LYS 29 HZ3 LYS 29 -2.878 10.070 -0.793 239 H LYS 30 HN LYS 30 -4.985 2.818 2.401 240 HA LYS 30 HA LYS 30 -3.441 2.830 4.822 241 HB2 LYS 30 HB2 LYS 30 -5.804 3.099 5.010 242 HB3 LYS 30 HB1 LYS 30 -6.100 1.611 4.118 243 HG2 LYS 30 HG2 LYS 30 -6.469 1.033 6.342 244 HG3 LYS 30 HG1 LYS 30 -4.839 0.444 6.003 245 HD2 LYS 30 HD2 LYS 30 -4.261 1.537 7.866 246 HD3 LYS 30 HD1 LYS 30 -4.351 2.985 6.862 247 HE2 LYS 30 HE2 LYS 30 -6.788 1.932 8.249 248 HE3 LYS 30 HE1 LYS 30 -5.623 2.929 9.119 249 HZ1 LYS 30 HZ1 LYS 30 -7.163 3.682 6.697 250 HZ2 LYS 30 HZ2 LYS 30 -5.915 4.620 7.347 251 HZ3 LYS 30 HZ3 LYS 30 -7.316 4.336 8.250 252 H THR 31 HN THR 31 -4.723 0.166 2.787 253 HA THR 31 HA THR 31 -3.747 -1.929 4.233 254 HB THR 31 HB THR 31 -3.832 -1.788 1.223 255 HG1 THR 31 HG1 THR 31 -5.909 -2.763 1.595 256 HG21 THR 31 HG21 THR 31 -3.951 -4.120 1.188 257 HG22 THR 31 HG22 THR 31 -4.166 -4.216 2.934 258 HG23 THR 31 HG23 THR 31 -2.607 -3.740 2.267 259 H CYS 32 HN CYS 32 -1.892 0.195 2.204 260 HA CYS 32 HA CYS 32 0.425 -1.526 2.143 261 HB2 CYS 32 HB2 CYS 32 0.266 -0.001 0.330 262 HB3 CYS 32 HB1 CYS 32 0.035 1.375 1.402 263 H GLY 33 HN GLY 33 -0.951 0.525 4.424 264 HA2 GLY 33 HA2 GLY 33 -0.266 0.719 6.654 265 HA3 GLY 33 HA1 GLY 33 1.325 0.142 6.193 266 H THR 34 HN THR 34 -0.569 2.912 4.974 267 HA THR 34 HA THR 34 1.465 4.694 6.109 268 HB THR 34 HB THR 34 2.203 4.467 3.858 269 HG1 THR 34 HG1 THR 34 2.155 6.555 3.269 270 HG21 THR 34 HG21 THR 34 0.864 4.870 1.911 271 HG22 THR 34 HG22 THR 34 -0.554 5.174 2.911 272 HG23 THR 34 HG23 THR 34 0.157 3.559 2.854 273 H CYS 35 HN CYS 35 -1.785 4.300 4.813 274 HA CYS 35 HA CYS 35 -2.652 6.952 5.286 275 HB2 CYS 35 HB2 CYS 35 -3.827 5.274 3.834 276 HB3 CYS 35 HB1 CYS 35 -4.377 4.471 5.300 Start of MODEL 7 1 H1 ALA 2 HT1 ALA 2 -10.143 6.718 5.962 2 H2 ALA 2 HT2 ALA 2 -11.657 6.394 5.221 3 H3 ALA 2 HT3 ALA 2 -11.525 7.633 6.400 4 HA ALA 2 HA ALA 2 -11.628 8.280 3.988 5 HB1 ALA 2 HB1 ALA 2 -9.563 9.901 4.539 6 HB2 ALA 2 HB2 ALA 2 -9.873 9.257 6.152 7 HB3 ALA 2 HB3 ALA 2 -11.158 10.082 5.270 8 H CYS 3 HN CYS 3 -10.256 5.700 3.936 9 HA CYS 3 HA CYS 3 -8.527 6.229 1.709 10 HB2 CYS 3 HB2 CYS 3 -6.649 4.810 2.841 11 HB3 CYS 3 HB1 CYS 3 -6.754 6.534 3.173 12 H LYS 4 HN LYS 4 -8.254 4.459 0.389 13 HA LYS 4 HA LYS 4 -9.498 1.945 1.291 14 HB2 LYS 4 HB2 LYS 4 -9.708 3.158 -1.471 15 HB3 LYS 4 HB1 LYS 4 -10.416 1.634 -0.954 16 HG2 LYS 4 HG2 LYS 4 -11.130 4.140 0.491 17 HG3 LYS 4 HG1 LYS 4 -11.866 3.794 -1.076 18 HD2 LYS 4 HD2 LYS 4 -12.684 1.660 -0.238 19 HD3 LYS 4 HD1 LYS 4 -11.902 1.954 1.317 20 HE2 LYS 4 HE2 LYS 4 -13.509 3.382 1.999 21 HE3 LYS 4 HE1 LYS 4 -13.710 4.083 0.394 22 HZ1 LYS 4 HZ1 LYS 4 -14.941 2.058 -0.239 23 HZ2 LYS 4 HZ2 LYS 4 -15.697 2.925 1.001 24 HZ3 LYS 4 HZ3 LYS 4 -14.839 1.513 1.360 25 H ASP 5 HN ASP 5 -8.962 0.222 -0.598 26 HA ASP 5 HA ASP 5 -6.067 0.382 -1.020 27 HB2 ASP 5 HB2 ASP 5 -5.952 -2.043 -0.657 28 HB3 ASP 5 HB1 ASP 5 -6.599 -1.205 0.748 29 H TYR 6 HN TYR 6 -5.398 0.211 -3.015 30 HA TYR 6 HA TYR 6 -7.235 -0.270 -5.158 31 HB2 TYR 6 HB2 TYR 6 -4.619 0.862 -4.848 32 HB3 TYR 6 HB1 TYR 6 -4.578 -0.326 -6.145 33 HD1 TYR 6 HD1 TYR 6 -7.359 1.933 -5.132 34 HD2 TYR 6 HD2 TYR 6 -4.461 0.959 -8.091 35 HE1 TYR 6 HE1 TYR 6 -8.371 3.576 -6.655 36 HE2 TYR 6 HE2 TYR 6 -5.465 2.600 -9.622 37 HH TYR 6 HH TYR 6 -6.913 4.807 -9.265 38 H LEU 7 HN LEU 7 -5.469 -2.355 -3.179 39 HA LEU 7 HA LEU 7 -5.980 -4.559 -5.017 40 HB2 LEU 7 HB2 LEU 7 -3.252 -3.814 -4.029 41 HB3 LEU 7 HB1 LEU 7 -3.643 -5.468 -4.387 42 HG LEU 7 HG LEU 7 -4.218 -3.471 -6.501 43 HD11 LEU 7 HD11 LEU 7 -1.538 -4.056 -5.409 44 HD12 LEU 7 HD12 LEU 7 -2.125 -2.642 -6.286 45 HD13 LEU 7 HD13 LEU 7 -1.704 -4.112 -7.164 46 HD21 LEU 7 HD21 LEU 7 -2.929 -5.656 -7.559 47 HD22 LEU 7 HD22 LEU 7 -4.676 -5.443 -7.450 48 HD23 LEU 7 HD23 LEU 7 -3.818 -6.343 -6.198 49 HA PRO 8 HA PRO 8 -6.865 -7.077 -1.534 50 HB2 PRO 8 HB2 PRO 8 -4.726 -8.986 -2.285 51 HB3 PRO 8 HB1 PRO 8 -6.459 -9.260 -2.051 52 HG2 PRO 8 HG2 PRO 8 -5.474 -9.218 -4.469 53 HG3 PRO 8 HG1 PRO 8 -7.004 -8.388 -4.116 54 HD2 PRO 8 HD2 PRO 8 -4.246 -7.207 -4.395 55 HD3 PRO 8 HD1 PRO 8 -5.763 -6.649 -5.124 56 H LYS 9 HN LYS 9 -6.085 -8.143 0.313 57 HA LYS 9 HA LYS 9 -4.311 -6.556 1.816 58 HB2 LYS 9 HB2 LYS 9 -5.114 -9.398 2.446 59 HB3 LYS 9 HB1 LYS 9 -4.591 -8.164 3.584 60 HG2 LYS 9 HG2 LYS 9 -6.615 -6.844 2.978 61 HG3 LYS 9 HG1 LYS 9 -7.154 -8.218 2.009 62 HD2 LYS 9 HD2 LYS 9 -8.248 -8.551 4.031 63 HD3 LYS 9 HD1 LYS 9 -6.821 -9.578 4.185 64 HE2 LYS 9 HE2 LYS 9 -7.303 -8.229 6.213 65 HE3 LYS 9 HE1 LYS 9 -5.707 -7.931 5.526 66 HZ1 LYS 9 HZ1 LYS 9 -7.854 -6.201 4.599 67 HZ2 LYS 9 HZ2 LYS 9 -6.243 -5.831 4.959 68 HZ3 LYS 9 HZ3 LYS 9 -7.373 -5.992 6.208 69 H SER 10 HN SER 10 -3.735 -9.195 -0.310 70 HA SER 10 HA SER 10 -1.163 -9.881 0.822 71 HB2 SER 10 HB2 SER 10 -2.548 -11.630 -0.193 72 HB3 SER 10 HB1 SER 10 -2.486 -10.791 -1.743 73 HG SER 10 HG SER 10 -0.801 -12.575 -0.861 74 H GLU 11 HN GLU 11 -2.381 -8.086 -1.981 75 HA GLU 11 HA GLU 11 0.144 -7.717 -3.220 76 HB2 GLU 11 HB2 GLU 11 -2.602 -6.921 -3.613 77 HB3 GLU 11 HB1 GLU 11 -1.530 -5.558 -3.895 78 HG2 GLU 11 HG2 GLU 11 -0.740 -8.100 -5.155 79 HG3 GLU 11 HG1 GLU 11 -2.227 -7.364 -5.756 80 H CYS 12 HN CYS 12 -1.758 -5.908 -0.926 81 HA CYS 12 HA CYS 12 0.300 -3.840 -0.771 82 HB2 CYS 12 HB2 CYS 12 -2.580 -4.018 -0.069 83 HB3 CYS 12 HB1 CYS 12 -1.582 -2.896 0.865 84 H THR 13 HN THR 13 1.889 -4.335 0.556 85 HA THR 13 HA THR 13 1.203 -5.537 3.159 86 HB THR 13 HB THR 13 3.608 -6.454 3.036 87 HG1 THR 13 HG1 THR 13 4.688 -6.067 1.304 88 HG21 THR 13 HG21 THR 13 1.780 -7.545 0.904 89 HG22 THR 13 HG22 THR 13 1.526 -7.821 2.630 90 HG23 THR 13 HG23 THR 13 2.995 -8.408 1.853 91 H GLN 14 HN GLN 14 2.171 -4.684 4.989 92 HA GLN 14 HA GLN 14 2.754 -2.002 5.115 93 HB2 GLN 14 HB2 GLN 14 4.046 -4.052 6.918 94 HB3 GLN 14 HB1 GLN 14 3.649 -2.383 7.306 95 HG2 GLN 14 HG2 GLN 14 1.748 -4.673 6.886 96 HG3 GLN 14 HG1 GLN 14 2.053 -3.777 8.373 97 HE21 GLN 14 HE21 GLN 14 0.282 -3.909 5.443 98 HE22 GLN 14 HE22 GLN 14 -0.639 -2.466 5.673 99 H PHE 15 HN PHE 15 4.791 -4.647 4.228 100 HA PHE 15 HA PHE 15 7.322 -3.472 4.412 101 HB2 PHE 15 HB2 PHE 15 6.090 -5.798 3.138 102 HB3 PHE 15 HB1 PHE 15 7.460 -5.175 2.239 103 HD1 PHE 15 HD1 PHE 15 9.657 -4.886 3.472 104 HD2 PHE 15 HD2 PHE 15 6.385 -7.105 5.045 105 HE1 PHE 15 HE1 PHE 15 11.186 -6.032 5.016 106 HE2 PHE 15 HE2 PHE 15 7.909 -8.259 6.596 107 HZ PHE 15 HZ PHE 15 10.314 -7.723 6.583 108 H ARG 16 HN ARG 16 4.847 -3.342 1.929 109 HA ARG 16 HA ARG 16 6.357 -2.184 -0.128 110 HB2 ARG 16 HB2 ARG 16 3.416 -1.742 0.395 111 HB3 ARG 16 HB1 ARG 16 4.247 -1.623 -1.141 112 HG2 ARG 16 HG2 ARG 16 3.957 -4.138 0.453 113 HG3 ARG 16 HG1 ARG 16 2.945 -3.680 -0.914 114 HD2 ARG 16 HD2 ARG 16 4.727 -3.872 -2.433 115 HD3 ARG 16 HD1 ARG 16 5.932 -3.863 -1.147 116 HE ARG 16 HE ARG 16 4.338 -6.095 -0.743 117 HH11 ARG 16 HH11 ARG 16 6.524 -4.892 -3.183 118 HH12 ARG 16 HH12 ARG 16 7.004 -6.470 -3.709 119 HH21 ARG 16 HH21 ARG 16 4.969 -8.172 -1.433 120 HH22 ARG 16 HH22 ARG 16 6.121 -8.332 -2.716 121 H CYS 17 HN CYS 17 4.448 -0.657 2.455 122 HA CYS 17 HA CYS 17 4.994 1.986 1.552 123 HB2 CYS 17 HB2 CYS 17 3.852 0.818 4.050 124 HB3 CYS 17 HB1 CYS 17 4.338 2.507 4.025 125 H ARG 18 HN ARG 18 6.750 -0.294 3.403 126 HA ARG 18 HA ARG 18 8.399 1.452 4.889 127 HB2 ARG 18 HB2 ARG 18 8.129 -1.317 4.590 128 HB3 ARG 18 HB1 ARG 18 9.783 -0.951 4.067 129 HG2 ARG 18 HG2 ARG 18 10.443 -0.698 6.171 130 HG3 ARG 18 HG1 ARG 18 9.148 0.453 6.508 131 HD2 ARG 18 HD2 ARG 18 8.630 -2.500 6.422 132 HD3 ARG 18 HD1 ARG 18 9.244 -1.722 7.880 133 HE ARG 18 HE ARG 18 6.901 -0.462 6.791 134 HH11 ARG 18 HH11 ARG 18 8.078 -2.984 8.896 135 HH12 ARG 18 HH12 ARG 18 6.625 -3.050 9.835 136 HH21 ARG 18 HH21 ARG 18 4.989 -0.548 8.025 137 HH22 ARG 18 HH22 ARG 18 4.871 -1.668 9.340 138 H THR 19 HN THR 19 8.896 -0.282 1.917 139 HA THR 19 HA THR 19 11.216 1.407 1.336 140 HB THR 19 HB THR 19 11.829 -0.804 1.799 141 HG1 THR 19 HG1 THR 19 12.646 0.152 -0.251 142 HG21 THR 19 HG21 THR 19 10.905 -2.746 0.600 143 HG22 THR 19 HG22 THR 19 9.661 -1.688 -0.071 144 HG23 THR 19 HG23 THR 19 9.765 -1.931 1.677 145 H SER 20 HN SER 20 8.243 0.102 -0.013 146 HA SER 20 HA SER 20 8.830 1.267 -2.627 147 HB2 SER 20 HB2 SER 20 6.997 -0.795 -1.606 148 HB3 SER 20 HB1 SER 20 6.297 0.251 -2.841 149 HG SER 20 HG SER 20 7.856 -0.372 -4.259 150 H MET 21 HN MET 21 8.425 3.363 -2.867 151 HA MET 21 HA MET 21 6.487 4.748 -1.255 152 HB2 MET 21 HB2 MET 21 8.626 5.458 -3.134 153 HB3 MET 21 HB1 MET 21 7.236 6.532 -3.199 154 HG2 MET 21 HG2 MET 21 8.289 7.613 -1.555 155 HG3 MET 21 HG1 MET 21 7.604 6.353 -0.530 156 HE1 MET 21 HE1 MET 21 10.693 7.925 -2.115 157 HE2 MET 21 HE2 MET 21 10.691 6.457 -3.092 158 HE3 MET 21 HE3 MET 21 11.970 6.726 -1.908 159 H LYS 22 HN LYS 22 6.296 3.027 -4.170 160 HA LYS 22 HA LYS 22 4.222 4.653 -5.352 161 HB2 LYS 22 HB2 LYS 22 6.005 2.997 -6.452 162 HB3 LYS 22 HB1 LYS 22 4.677 1.860 -6.259 163 HG2 LYS 22 HG2 LYS 22 3.650 4.269 -7.374 164 HG3 LYS 22 HG1 LYS 22 5.072 3.776 -8.296 165 HD2 LYS 22 HD2 LYS 22 3.040 1.715 -7.586 166 HD3 LYS 22 HD1 LYS 22 2.674 2.854 -8.885 167 HE2 LYS 22 HE2 LYS 22 3.740 1.358 -10.180 168 HE3 LYS 22 HE1 LYS 22 5.197 2.119 -9.542 169 HZ1 LYS 22 HZ1 LYS 22 5.015 -0.411 -9.434 170 HZ2 LYS 22 HZ2 LYS 22 3.939 -0.163 -8.153 171 HZ3 LYS 22 HZ3 LYS 22 5.531 0.398 -8.040 172 H TYR 23 HN TYR 23 4.380 1.407 -3.916 173 HA TYR 23 HA TYR 23 1.702 0.723 -4.126 174 HB2 TYR 23 HB2 TYR 23 3.864 -0.045 -2.199 175 HB3 TYR 23 HB1 TYR 23 2.228 -0.666 -1.999 176 HD1 TYR 23 HD2 TYR 23 4.250 -0.086 -5.073 177 HD2 TYR 23 HD1 TYR 23 2.292 -2.899 -2.564 178 HE1 TYR 23 HE2 TYR 23 4.742 -1.868 -6.699 179 HE2 TYR 23 HE1 TYR 23 2.777 -4.689 -4.169 180 HH TYR 23 HH TYR 23 4.301 -5.191 -5.969 181 H ARG 24 HN ARG 24 3.241 2.898 -1.930 182 HA ARG 24 HA ARG 24 1.231 2.854 0.091 183 HB2 ARG 24 HB2 ARG 24 2.791 5.334 -0.181 184 HB3 ARG 24 HB1 ARG 24 2.547 4.310 1.221 185 HG2 ARG 24 HG2 ARG 24 4.178 2.699 0.137 186 HG3 ARG 24 HG1 ARG 24 4.555 4.006 -0.985 187 HD2 ARG 24 HD2 ARG 24 5.176 5.444 0.881 188 HD3 ARG 24 HD1 ARG 24 4.781 4.157 2.019 189 HE ARG 24 HE ARG 24 6.602 2.927 0.558 190 HH11 ARG 24 HH11 ARG 24 6.620 6.187 1.830 191 HH12 ARG 24 HH12 ARG 24 8.346 6.271 1.924 192 HH21 ARG 24 HH21 ARG 24 8.871 3.046 0.695 193 HH22 ARG 24 HH22 ARG 24 9.623 4.490 1.283 194 H LEU 25 HN LEU 25 2.052 5.431 -2.217 195 HA LEU 25 HA LEU 25 -0.586 6.602 -1.805 196 HB2 LEU 25 HB2 LEU 25 1.639 7.660 -3.527 197 HB3 LEU 25 HB1 LEU 25 0.287 8.550 -2.844 198 HG LEU 25 HG LEU 25 1.955 9.226 -1.431 199 HD11 LEU 25 HD11 LEU 25 0.150 7.602 -0.278 200 HD12 LEU 25 HD12 LEU 25 1.397 8.466 0.619 201 HD13 LEU 25 HD13 LEU 25 1.640 6.775 0.183 202 HD21 LEU 25 HD21 LEU 25 3.973 8.360 -1.714 203 HD22 LEU 25 HD22 LEU 25 3.294 6.899 -2.426 204 HD23 LEU 25 HD23 LEU 25 3.502 7.012 -0.679 205 H ASN 26 HN ASN 26 1.354 5.220 -4.389 206 HA ASN 26 HA ASN 26 -0.458 5.859 -6.473 207 HB2 ASN 26 HB2 ASN 26 2.079 5.199 -6.484 208 HB3 ASN 26 HB1 ASN 26 1.440 3.567 -6.686 209 HD21 ASN 26 HD21 ASN 26 2.216 6.479 -8.206 210 HD22 ASN 26 HD22 ASN 26 1.569 6.125 -9.768 211 H LEU 27 HN LEU 27 -0.052 2.959 -4.462 212 HA LEU 27 HA LEU 27 -2.284 1.720 -5.906 213 HB2 LEU 27 HB2 LEU 27 -0.124 0.658 -4.145 214 HB3 LEU 27 HB1 LEU 27 -1.633 -0.226 -4.243 215 HG LEU 27 HG LEU 27 -1.357 -0.352 -6.709 216 HD11 LEU 27 HD11 LEU 27 1.122 0.009 -7.404 217 HD12 LEU 27 HD12 LEU 27 1.146 1.124 -6.038 218 HD13 LEU 27 HD13 LEU 27 0.010 1.377 -7.363 219 HD21 LEU 27 HD21 LEU 27 1.030 -1.491 -5.281 220 HD22 LEU 27 HD22 LEU 27 0.145 -2.167 -6.649 221 HD23 LEU 27 HD23 LEU 27 -0.605 -2.113 -5.054 222 H CYS 28 HN CYS 28 -1.979 0.545 -2.708 223 HA CYS 28 HA CYS 28 -4.541 1.745 -2.025 224 HB2 CYS 28 HB2 CYS 28 -4.461 0.185 -0.137 225 HB3 CYS 28 HB1 CYS 28 -4.151 -0.653 -1.661 226 H LYS 29 HN LYS 29 -4.887 2.970 -0.202 227 HA LYS 29 HA LYS 29 -2.648 4.556 0.672 228 HB2 LYS 29 HB2 LYS 29 -5.596 4.702 1.286 229 HB3 LYS 29 HB1 LYS 29 -4.404 5.830 1.923 230 HG2 LYS 29 HG2 LYS 29 -4.282 5.497 -0.978 231 HG3 LYS 29 HG1 LYS 29 -5.816 6.150 -0.392 232 HD2 LYS 29 HD2 LYS 29 -4.025 7.594 1.062 233 HD3 LYS 29 HD1 LYS 29 -3.141 7.363 -0.447 234 HE2 LYS 29 HE2 LYS 29 -5.987 8.325 -0.388 235 HE3 LYS 29 HE1 LYS 29 -4.621 9.433 -0.263 236 HZ1 LYS 29 HZ1 LYS 29 -4.866 9.443 -2.494 237 HZ2 LYS 29 HZ2 LYS 29 -5.571 7.907 -2.554 238 HZ3 LYS 29 HZ3 LYS 29 -3.895 8.060 -2.398 239 H LYS 30 HN LYS 30 -5.193 2.703 2.309 240 HA LYS 30 HA LYS 30 -3.740 2.733 4.784 241 HB2 LYS 30 HB2 LYS 30 -6.125 2.927 4.859 242 HB3 LYS 30 HB1 LYS 30 -6.325 1.416 3.983 243 HG2 LYS 30 HG2 LYS 30 -6.730 0.784 6.161 244 HG3 LYS 30 HG1 LYS 30 -5.021 0.384 5.959 245 HD2 LYS 30 HD2 LYS 30 -4.318 2.069 7.317 246 HD3 LYS 30 HD1 LYS 30 -5.699 3.099 6.936 247 HE2 LYS 30 HE2 LYS 30 -7.114 1.924 8.407 248 HE3 LYS 30 HE1 LYS 30 -5.987 0.575 8.540 249 HZ1 LYS 30 HZ1 LYS 30 -4.494 2.602 9.441 250 HZ2 LYS 30 HZ2 LYS 30 -5.415 1.593 10.438 251 HZ3 LYS 30 HZ3 LYS 30 -6.027 3.096 9.961 252 H THR 31 HN THR 31 -4.928 0.040 2.729 253 HA THR 31 HA THR 31 -3.926 -2.030 4.185 254 HB THR 31 HB THR 31 -3.986 -1.898 1.174 255 HG1 THR 31 HG1 THR 31 -5.927 -2.704 3.080 256 HG21 THR 31 HG21 THR 31 -2.727 -3.826 2.199 257 HG22 THR 31 HG22 THR 31 -4.088 -4.243 1.155 258 HG23 THR 31 HG23 THR 31 -4.262 -4.324 2.906 259 H CYS 32 HN CYS 32 -2.070 0.094 2.141 260 HA CYS 32 HA CYS 32 0.258 -1.604 2.122 261 HB2 CYS 32 HB2 CYS 32 0.122 -0.068 0.315 262 HB3 CYS 32 HB1 CYS 32 -0.133 1.301 1.393 263 H GLY 33 HN GLY 33 -1.163 0.421 4.398 264 HA2 GLY 33 HA2 GLY 33 -0.524 0.656 6.629 265 HA3 GLY 33 HA1 GLY 33 1.058 0.014 6.218 266 H THR 34 HN THR 34 -0.820 2.862 5.144 267 HA THR 34 HA THR 34 1.326 4.568 6.164 268 HB THR 34 HB THR 34 2.033 4.415 3.938 269 HG1 THR 34 HG1 THR 34 1.707 6.596 4.687 270 HG21 THR 34 HG21 THR 34 0.751 4.435 2.001 271 HG22 THR 34 HG22 THR 34 -0.679 5.020 2.851 272 HG23 THR 34 HG23 THR 34 -0.116 3.367 3.103 273 H CYS 35 HN CYS 35 -1.976 4.278 4.967 274 HA CYS 35 HA CYS 35 -2.879 6.866 5.224 275 HB2 CYS 35 HB2 CYS 35 -4.314 5.073 4.389 276 HB3 CYS 35 HB1 CYS 35 -4.370 4.345 5.992 Start of MODEL 8 1 H1 ALA 2 HT1 ALA 2 -10.530 8.809 3.053 2 H2 ALA 2 HT2 ALA 2 -11.370 8.000 1.794 3 H3 ALA 2 HT3 ALA 2 -11.172 9.704 1.739 4 HA ALA 2 HA ALA 2 -9.706 8.280 0.299 5 HB1 ALA 2 HB1 ALA 2 -8.659 10.410 2.153 6 HB2 ALA 2 HB2 ALA 2 -9.314 10.618 0.529 7 HB3 ALA 2 HB3 ALA 2 -7.769 9.799 0.759 8 H CYS 3 HN CYS 3 -10.173 6.499 2.480 9 HA CYS 3 HA CYS 3 -7.408 5.637 2.986 10 HB2 CYS 3 HB2 CYS 3 -8.738 6.665 4.997 11 HB3 CYS 3 HB1 CYS 3 -9.552 5.104 5.012 12 H LYS 4 HN LYS 4 -8.198 4.509 0.904 13 HA LYS 4 HA LYS 4 -9.392 1.928 1.676 14 HB2 LYS 4 HB2 LYS 4 -9.722 3.359 -0.968 15 HB3 LYS 4 HB1 LYS 4 -10.375 1.775 -0.571 16 HG2 LYS 4 HG2 LYS 4 -11.116 3.971 1.249 17 HG3 LYS 4 HG1 LYS 4 -11.774 4.054 -0.386 18 HD2 LYS 4 HD2 LYS 4 -12.456 1.609 -0.030 19 HD3 LYS 4 HD1 LYS 4 -12.142 1.906 1.681 20 HE2 LYS 4 HE2 LYS 4 -14.184 3.203 -0.101 21 HE3 LYS 4 HE1 LYS 4 -14.447 2.291 1.385 22 HZ1 LYS 4 HZ1 LYS 4 -13.144 4.954 1.187 23 HZ2 LYS 4 HZ2 LYS 4 -13.366 4.078 2.616 24 HZ3 LYS 4 HZ3 LYS 4 -14.707 4.654 1.762 25 H ASP 5 HN ASP 5 -8.899 0.272 -0.211 26 HA ASP 5 HA ASP 5 -6.053 0.540 -0.849 27 HB2 ASP 5 HB2 ASP 5 -5.814 -1.880 -0.503 28 HB3 ASP 5 HB1 ASP 5 -6.376 -1.069 0.955 29 H TYR 6 HN TYR 6 -5.510 0.346 -2.878 30 HA TYR 6 HA TYR 6 -7.477 -0.165 -4.895 31 HB2 TYR 6 HB2 TYR 6 -5.067 1.215 -4.783 32 HB3 TYR 6 HB1 TYR 6 -4.714 -0.155 -5.831 33 HD1 TYR 6 HD1 TYR 6 -6.959 2.756 -5.379 34 HD2 TYR 6 HD2 TYR 6 -5.526 -0.227 -8.053 35 HE1 TYR 6 HE1 TYR 6 -8.042 3.924 -7.252 36 HE2 TYR 6 HE2 TYR 6 -6.604 0.934 -9.934 37 HH TYR 6 HH TYR 6 -7.543 3.982 -9.921 38 H LEU 7 HN LEU 7 -5.583 -2.202 -3.024 39 HA LEU 7 HA LEU 7 -6.074 -4.413 -4.863 40 HB2 LEU 7 HB2 LEU 7 -3.392 -3.509 -3.927 41 HB3 LEU 7 HB1 LEU 7 -3.667 -5.208 -4.125 42 HG LEU 7 HG LEU 7 -4.416 -3.441 -6.382 43 HD11 LEU 7 HD11 LEU 7 -2.354 -2.479 -6.167 44 HD12 LEU 7 HD12 LEU 7 -1.944 -3.894 -7.137 45 HD13 LEU 7 HD13 LEU 7 -1.652 -3.902 -5.398 46 HD21 LEU 7 HD21 LEU 7 -3.059 -5.600 -7.354 47 HD22 LEU 7 HD22 LEU 7 -4.807 -5.503 -7.147 48 HD23 LEU 7 HD23 LEU 7 -3.813 -6.256 -5.904 49 HA PRO 8 HA PRO 8 -6.771 -6.632 -1.115 50 HB2 PRO 8 HB2 PRO 8 -6.025 -9.130 -1.595 51 HB3 PRO 8 HB1 PRO 8 -7.306 -8.369 -2.549 52 HG2 PRO 8 HG2 PRO 8 -4.451 -8.835 -3.226 53 HG3 PRO 8 HG1 PRO 8 -5.888 -8.990 -4.249 54 HD2 PRO 8 HD2 PRO 8 -4.171 -6.808 -4.185 55 HD3 PRO 8 HD1 PRO 8 -5.798 -6.766 -4.854 56 H LYS 9 HN LYS 9 -5.886 -7.933 0.612 57 HA LYS 9 HA LYS 9 -3.654 -6.802 1.781 58 HB2 LYS 9 HB2 LYS 9 -4.696 -9.574 2.367 59 HB3 LYS 9 HB1 LYS 9 -3.792 -8.531 3.457 60 HG2 LYS 9 HG2 LYS 9 -6.225 -7.291 2.443 61 HG3 LYS 9 HG1 LYS 9 -6.520 -8.775 3.352 62 HD2 LYS 9 HD2 LYS 9 -4.698 -7.547 4.942 63 HD3 LYS 9 HD1 LYS 9 -5.541 -6.154 4.264 64 HE2 LYS 9 HE2 LYS 9 -7.643 -7.710 4.885 65 HE3 LYS 9 HE1 LYS 9 -6.501 -8.243 6.118 66 HZ1 LYS 9 HZ1 LYS 9 -7.342 -6.487 7.217 67 HZ2 LYS 9 HZ2 LYS 9 -7.843 -5.685 5.815 68 HZ3 LYS 9 HZ3 LYS 9 -6.225 -5.607 6.301 69 H SER 10 HN SER 10 -3.775 -9.342 -0.555 70 HA SER 10 HA SER 10 -1.197 -10.437 0.071 71 HB2 SER 10 HB2 SER 10 -3.317 -11.424 -1.264 72 HB3 SER 10 HB1 SER 10 -2.343 -10.873 -2.627 73 HG SER 10 HG SER 10 -0.604 -12.112 -1.740 74 H GLU 11 HN GLU 11 -2.311 -7.750 -1.799 75 HA GLU 11 HA GLU 11 0.191 -7.633 -3.320 76 HB2 GLU 11 HB2 GLU 11 -2.531 -6.676 -3.645 77 HB3 GLU 11 HB1 GLU 11 -1.356 -5.416 -3.967 78 HG2 GLU 11 HG2 GLU 11 -0.669 -7.935 -5.240 79 HG3 GLU 11 HG1 GLU 11 -2.259 -7.341 -5.727 80 H CYS 12 HN CYS 12 -1.687 -5.865 -0.957 81 HA CYS 12 HA CYS 12 0.398 -3.836 -0.757 82 HB2 CYS 12 HB2 CYS 12 -2.471 -4.015 -0.060 83 HB3 CYS 12 HB1 CYS 12 -1.476 -2.972 0.964 84 H THR 13 HN THR 13 2.009 -4.355 0.521 85 HA THR 13 HA THR 13 1.397 -5.661 3.092 86 HB THR 13 HB THR 13 3.832 -6.478 2.910 87 HG1 THR 13 HG1 THR 13 4.879 -6.042 1.166 88 HG21 THR 13 HG21 THR 13 3.282 -8.417 1.716 89 HG22 THR 13 HG22 THR 13 2.093 -7.575 0.718 90 HG23 THR 13 HG23 THR 13 1.759 -7.880 2.425 91 H GLN 14 HN GLN 14 2.377 -4.847 4.941 92 HA GLN 14 HA GLN 14 2.872 -2.147 5.146 93 HB2 GLN 14 HB2 GLN 14 4.224 -4.233 6.865 94 HB3 GLN 14 HB1 GLN 14 3.822 -2.580 7.313 95 HG2 GLN 14 HG2 GLN 14 1.935 -4.873 6.852 96 HG3 GLN 14 HG1 GLN 14 2.243 -4.007 8.356 97 HE21 GLN 14 HE21 GLN 14 0.413 -4.123 5.473 98 HE22 GLN 14 HE22 GLN 14 -0.508 -2.685 5.730 99 H PHE 15 HN PHE 15 4.958 -4.690 4.105 100 HA PHE 15 HA PHE 15 7.455 -3.429 4.300 101 HB2 PHE 15 HB2 PHE 15 6.295 -5.766 2.975 102 HB3 PHE 15 HB1 PHE 15 7.626 -5.060 2.078 103 HD1 PHE 15 HD1 PHE 15 9.856 -4.864 3.148 104 HD2 PHE 15 HD2 PHE 15 6.644 -6.973 4.977 105 HE1 PHE 15 HE1 PHE 15 11.454 -5.995 4.633 106 HE2 PHE 15 HE2 PHE 15 8.237 -8.111 6.469 107 HZ PHE 15 HZ PHE 15 10.646 -7.622 6.299 108 H ARG 16 HN ARG 16 4.965 -3.404 1.803 109 HA ARG 16 HA ARG 16 6.343 -2.116 -0.235 110 HB2 ARG 16 HB2 ARG 16 3.418 -1.836 0.473 111 HB3 ARG 16 HB1 ARG 16 4.138 -1.440 -1.073 112 HG2 ARG 16 HG2 ARG 16 4.202 -4.177 0.129 113 HG3 ARG 16 HG1 ARG 16 2.952 -3.622 -0.982 114 HD2 ARG 16 HD2 ARG 16 4.323 -4.473 -2.554 115 HD3 ARG 16 HD1 ARG 16 5.182 -2.946 -2.353 116 HE ARG 16 HE ARG 16 6.907 -4.078 -1.346 117 HH11 ARG 16 HH11 ARG 16 4.134 -6.186 -1.585 118 HH12 ARG 16 HH12 ARG 16 5.011 -7.599 -1.103 119 HH21 ARG 16 HH21 ARG 16 8.060 -5.936 -0.713 120 HH22 ARG 16 HH22 ARG 16 7.239 -7.458 -0.607 121 H CYS 17 HN CYS 17 4.470 -0.660 2.425 122 HA CYS 17 HA CYS 17 4.987 2.001 1.585 123 HB2 CYS 17 HB2 CYS 17 3.956 0.772 4.108 124 HB3 CYS 17 HB1 CYS 17 4.409 2.471 4.082 125 H ARG 18 HN ARG 18 6.798 -0.311 3.353 126 HA ARG 18 HA ARG 18 8.504 1.402 4.802 127 HB2 ARG 18 HB2 ARG 18 8.232 -1.359 4.442 128 HB3 ARG 18 HB1 ARG 18 9.864 -0.972 3.869 129 HG2 ARG 18 HG2 ARG 18 9.551 0.419 6.285 130 HG3 ARG 18 HG1 ARG 18 8.850 -1.176 6.564 131 HD2 ARG 18 HD2 ARG 18 11.444 -1.069 5.137 132 HD3 ARG 18 HD1 ARG 18 11.455 -0.666 6.854 133 HE ARG 18 HE ARG 18 11.135 -3.254 5.704 134 HH11 ARG 18 HH11 ARG 18 10.214 -1.273 8.426 135 HH12 ARG 18 HH12 ARG 18 9.955 -2.622 9.480 136 HH21 ARG 18 HH21 ARG 18 10.794 -5.030 7.089 137 HH22 ARG 18 HH22 ARG 18 10.285 -4.755 8.722 138 H THR 19 HN THR 19 8.897 -0.249 1.767 139 HA THR 19 HA THR 19 11.190 1.466 1.151 140 HB THR 19 HB THR 19 11.820 -0.759 1.535 141 HG1 THR 19 HG1 THR 19 12.560 0.270 -0.519 142 HG21 THR 19 HG21 THR 19 9.739 -1.875 1.430 143 HG22 THR 19 HG22 THR 19 10.868 -2.669 0.322 144 HG23 THR 19 HG23 THR 19 9.613 -1.600 -0.310 145 H SER 20 HN SER 20 8.180 0.180 -0.137 146 HA SER 20 HA SER 20 8.676 1.447 -2.726 147 HB2 SER 20 HB2 SER 20 6.848 -0.662 -1.728 148 HB3 SER 20 HB1 SER 20 6.223 0.366 -3.018 149 HG SER 20 HG SER 20 7.320 -0.929 -4.259 150 H MET 21 HN MET 21 8.124 3.503 -2.975 151 HA MET 21 HA MET 21 6.251 4.798 -1.219 152 HB2 MET 21 HB2 MET 21 8.119 5.632 -3.366 153 HB3 MET 21 HB1 MET 21 6.738 6.679 -3.071 154 HG2 MET 21 HG2 MET 21 8.189 7.624 -1.626 155 HG3 MET 21 HG1 MET 21 7.537 6.381 -0.560 156 HE1 MET 21 HE1 MET 21 9.846 7.952 -0.041 157 HE2 MET 21 HE2 MET 21 11.459 7.291 -0.309 158 HE3 MET 21 HE3 MET 21 10.424 6.608 0.945 159 H LYS 22 HN LYS 22 6.159 3.461 -4.433 160 HA LYS 22 HA LYS 22 3.884 4.844 -5.381 161 HB2 LYS 22 HB2 LYS 22 5.670 3.318 -6.591 162 HB3 LYS 22 HB1 LYS 22 4.475 2.064 -6.291 163 HG2 LYS 22 HG2 LYS 22 2.884 3.945 -7.341 164 HG3 LYS 22 HG1 LYS 22 4.399 4.354 -8.146 165 HD2 LYS 22 HD2 LYS 22 4.565 2.232 -9.144 166 HD3 LYS 22 HD1 LYS 22 3.355 1.538 -8.063 167 HE2 LYS 22 HE2 LYS 22 2.448 1.894 -10.305 168 HE3 LYS 22 HE1 LYS 22 1.623 2.894 -9.110 169 HZ1 LYS 22 HZ1 LYS 22 3.905 4.063 -10.514 170 HZ2 LYS 22 HZ2 LYS 22 2.481 4.795 -9.971 171 HZ3 LYS 22 HZ3 LYS 22 2.468 3.871 -11.386 172 H TYR 23 HN TYR 23 4.211 1.633 -3.893 173 HA TYR 23 HA TYR 23 1.537 0.858 -4.054 174 HB2 TYR 23 HB2 TYR 23 3.789 0.114 -2.222 175 HB3 TYR 23 HB1 TYR 23 2.180 -0.558 -1.981 176 HD1 TYR 23 HD2 TYR 23 4.077 0.145 -5.109 177 HD2 TYR 23 HD1 TYR 23 2.289 -2.773 -2.593 178 HE1 TYR 23 HE2 TYR 23 4.563 -1.591 -6.788 179 HE2 TYR 23 HE1 TYR 23 2.770 -4.517 -4.248 180 HH TYR 23 HH TYR 23 3.802 -3.791 -7.436 181 H ARG 24 HN ARG 24 3.115 2.986 -1.824 182 HA ARG 24 HA ARG 24 1.179 2.837 0.251 183 HB2 ARG 24 HB2 ARG 24 2.682 5.358 -0.004 184 HB3 ARG 24 HB1 ARG 24 2.487 4.301 1.382 185 HG2 ARG 24 HG2 ARG 24 4.103 2.732 0.218 186 HG3 ARG 24 HG1 ARG 24 4.436 4.068 -0.882 187 HD2 ARG 24 HD2 ARG 24 5.085 5.469 1.010 188 HD3 ARG 24 HD1 ARG 24 4.756 4.136 2.115 189 HE ARG 24 HE ARG 24 6.544 2.984 0.568 190 HH11 ARG 24 HH11 ARG 24 6.555 6.229 1.877 191 HH12 ARG 24 HH12 ARG 24 8.282 6.348 1.890 192 HH21 ARG 24 HH21 ARG 24 8.814 3.148 0.599 193 HH22 ARG 24 HH22 ARG 24 9.563 4.603 1.167 194 H LEU 25 HN LEU 25 1.824 5.515 -2.005 195 HA LEU 25 HA LEU 25 -0.811 6.603 -1.412 196 HB2 LEU 25 HB2 LEU 25 1.281 7.777 -3.219 197 HB3 LEU 25 HB1 LEU 25 -0.045 8.606 -2.422 198 HG LEU 25 HG LEU 25 1.696 9.272 -1.093 199 HD11 LEU 25 HD11 LEU 25 0.003 7.533 0.099 200 HD12 LEU 25 HD12 LEU 25 1.242 8.452 0.950 201 HD13 LEU 25 HD13 LEU 25 1.557 6.785 0.473 202 HD21 LEU 25 HD21 LEU 25 3.323 7.055 -0.520 203 HD22 LEU 25 HD22 LEU 25 3.712 8.459 -1.512 204 HD23 LEU 25 HD23 LEU 25 3.020 7.020 -2.257 205 H ASN 26 HN ASN 26 1.003 5.395 -4.182 206 HA ASN 26 HA ASN 26 -0.970 6.071 -6.099 207 HB2 ASN 26 HB2 ASN 26 1.589 5.482 -6.299 208 HB3 ASN 26 HB1 ASN 26 0.960 3.861 -6.598 209 HD21 ASN 26 HD21 ASN 26 0.999 7.169 -7.724 210 HD22 ASN 26 HD22 ASN 26 0.493 6.830 -9.341 211 H LEU 27 HN LEU 27 -0.338 3.076 -4.291 212 HA LEU 27 HA LEU 27 -2.588 1.825 -5.685 213 HB2 LEU 27 HB2 LEU 27 -0.327 0.783 -4.047 214 HB3 LEU 27 HB1 LEU 27 -1.806 -0.153 -4.113 215 HG LEU 27 HG LEU 27 -1.625 -0.163 -6.603 216 HD11 LEU 27 HD11 LEU 27 1.107 0.984 -6.055 217 HD12 LEU 27 HD12 LEU 27 -0.225 1.818 -6.856 218 HD13 LEU 27 HD13 LEU 27 0.515 0.407 -7.613 219 HD21 LEU 27 HD21 LEU 27 -0.124 -1.964 -6.663 220 HD22 LEU 27 HD22 LEU 27 -0.774 -1.968 -5.024 221 HD23 LEU 27 HD23 LEU 27 0.837 -1.319 -5.332 222 H CYS 28 HN CYS 28 -2.076 0.607 -2.507 223 HA CYS 28 HA CYS 28 -4.677 1.665 -1.706 224 HB2 CYS 28 HB2 CYS 28 -4.525 0.015 0.075 225 HB3 CYS 28 HB1 CYS 28 -4.134 -0.747 -1.470 226 H LYS 29 HN LYS 29 -4.990 2.816 0.193 227 HA LYS 29 HA LYS 29 -2.756 4.435 1.027 228 HB2 LYS 29 HB2 LYS 29 -5.659 4.471 1.859 229 HB3 LYS 29 HB1 LYS 29 -4.450 5.638 2.382 230 HG2 LYS 29 HG2 LYS 29 -4.421 5.442 -0.474 231 HG3 LYS 29 HG1 LYS 29 -6.069 5.732 0.089 232 HD2 LYS 29 HD2 LYS 29 -5.091 7.865 -0.240 233 HD3 LYS 29 HD1 LYS 29 -5.129 7.600 1.504 234 HE2 LYS 29 HE2 LYS 29 -2.681 6.601 0.327 235 HE3 LYS 29 HE1 LYS 29 -2.922 8.309 -0.035 236 HZ1 LYS 29 HZ1 LYS 29 -2.552 6.995 2.562 237 HZ2 LYS 29 HZ2 LYS 29 -3.466 8.417 2.495 238 HZ3 LYS 29 HZ3 LYS 29 -1.859 8.420 1.969 239 H LYS 30 HN LYS 30 -5.183 2.482 2.725 240 HA LYS 30 HA LYS 30 -3.597 2.453 5.119 241 HB2 LYS 30 HB2 LYS 30 -5.975 2.637 5.333 242 HB3 LYS 30 HB1 LYS 30 -6.220 1.152 4.422 243 HG2 LYS 30 HG2 LYS 30 -6.520 0.505 6.631 244 HG3 LYS 30 HG1 LYS 30 -4.860 0.023 6.270 245 HD2 LYS 30 HD2 LYS 30 -4.072 1.320 7.886 246 HD3 LYS 30 HD1 LYS 30 -4.909 2.726 7.227 247 HE2 LYS 30 HE2 LYS 30 -6.554 0.757 8.705 248 HE3 LYS 30 HE1 LYS 30 -5.425 1.722 9.655 249 HZ1 LYS 30 HZ1 LYS 30 -7.155 3.145 9.668 250 HZ2 LYS 30 HZ2 LYS 30 -7.830 2.540 8.240 251 HZ3 LYS 30 HZ3 LYS 30 -6.528 3.617 8.168 252 H THR 31 HN THR 31 -4.837 -0.161 2.999 253 HA THR 31 HA THR 31 -3.787 -2.292 4.329 254 HB THR 31 HB THR 31 -3.920 -2.004 1.331 255 HG1 THR 31 HG1 THR 31 -5.963 -3.029 1.661 256 HG21 THR 31 HG21 THR 31 -2.620 -3.971 2.261 257 HG22 THR 31 HG22 THR 31 -3.963 -4.331 1.171 258 HG23 THR 31 HG23 THR 31 -4.160 -4.530 2.911 259 H CYS 32 HN CYS 32 -2.007 -0.030 2.382 260 HA CYS 32 HA CYS 32 0.347 -1.697 2.227 261 HB2 CYS 32 HB2 CYS 32 0.132 -0.130 0.460 262 HB3 CYS 32 HB1 CYS 32 -0.128 1.211 1.570 263 H GLY 33 HN GLY 33 -1.043 0.247 4.591 264 HA2 GLY 33 HA2 GLY 33 -0.328 0.402 6.814 265 HA3 GLY 33 HA1 GLY 33 1.266 -0.138 6.315 266 H THR 34 HN THR 34 -0.732 2.634 5.272 267 HA THR 34 HA THR 34 1.305 4.423 6.382 268 HB THR 34 HB THR 34 2.021 4.308 4.134 269 HG1 THR 34 HG1 THR 34 1.950 6.383 3.691 270 HG21 THR 34 HG21 THR 34 0.700 4.507 2.199 271 HG22 THR 34 HG22 THR 34 -0.734 4.920 3.138 272 HG23 THR 34 HG23 THR 34 -0.068 3.287 3.214 273 H CYS 35 HN CYS 35 -1.959 4.006 5.120 274 HA CYS 35 HA CYS 35 -2.870 6.623 5.689 275 HB2 CYS 35 HB2 CYS 35 -4.032 4.947 4.212 276 HB3 CYS 35 HB1 CYS 35 -4.563 4.121 5.673 Start of MODEL 9 1 H1 ALA 2 HT1 ALA 2 -10.928 9.084 3.695 2 H2 ALA 2 HT2 ALA 2 -12.111 7.948 4.200 3 H3 ALA 2 HT3 ALA 2 -12.593 9.452 3.527 4 HA ALA 2 HA ALA 2 -12.710 7.411 2.093 5 HB1 ALA 2 HB1 ALA 2 -12.503 10.044 1.552 6 HB2 ALA 2 HB2 ALA 2 -12.697 8.799 0.318 7 HB3 ALA 2 HB3 ALA 2 -11.092 9.431 0.688 8 H CYS 3 HN CYS 3 -10.664 6.536 3.753 9 HA CYS 3 HA CYS 3 -8.336 6.191 2.012 10 HB2 CYS 3 HB2 CYS 3 -8.515 6.646 4.716 11 HB3 CYS 3 HB1 CYS 3 -8.263 4.905 4.650 12 H LYS 4 HN LYS 4 -8.350 4.509 0.690 13 HA LYS 4 HA LYS 4 -9.344 1.933 1.686 14 HB2 LYS 4 HB2 LYS 4 -10.239 3.427 -0.726 15 HB3 LYS 4 HB1 LYS 4 -10.053 1.685 -0.882 16 HG2 LYS 4 HG2 LYS 4 -11.529 2.548 1.499 17 HG3 LYS 4 HG1 LYS 4 -12.304 2.932 -0.039 18 HD2 LYS 4 HD2 LYS 4 -13.128 0.816 0.424 19 HD3 LYS 4 HD1 LYS 4 -11.764 0.468 -0.640 20 HE2 LYS 4 HE2 LYS 4 -10.395 -0.185 1.176 21 HE3 LYS 4 HE1 LYS 4 -11.525 0.475 2.358 22 HZ1 LYS 4 HZ1 LYS 4 -12.112 -1.822 0.570 23 HZ2 LYS 4 HZ2 LYS 4 -13.100 -1.231 1.809 24 HZ3 LYS 4 HZ3 LYS 4 -11.621 -1.961 2.183 25 H ASP 5 HN ASP 5 -8.798 0.255 -0.265 26 HA ASP 5 HA ASP 5 -5.978 0.713 -0.919 27 HB2 ASP 5 HB2 ASP 5 -5.571 -1.677 -0.563 28 HB3 ASP 5 HB1 ASP 5 -6.210 -0.920 0.892 29 H TYR 6 HN TYR 6 -5.420 0.501 -2.958 30 HA TYR 6 HA TYR 6 -7.367 -0.030 -4.969 31 HB2 TYR 6 HB2 TYR 6 -5.045 1.382 -4.916 32 HB3 TYR 6 HB1 TYR 6 -4.521 -0.073 -5.757 33 HD1 TYR 6 HD1 TYR 6 -7.356 2.367 -5.823 34 HD2 TYR 6 HD2 TYR 6 -4.701 -0.097 -8.056 35 HE1 TYR 6 HE1 TYR 6 -8.313 3.240 -7.913 36 HE2 TYR 6 HE2 TYR 6 -5.650 0.770 -10.152 37 HH TYR 6 HH TYR 6 -6.897 3.022 -10.817 38 H LEU 7 HN LEU 7 -5.469 -2.081 -3.088 39 HA LEU 7 HA LEU 7 -6.047 -4.306 -4.890 40 HB2 LEU 7 HB2 LEU 7 -3.337 -3.465 -3.970 41 HB3 LEU 7 HB1 LEU 7 -3.662 -5.156 -4.164 42 HG LEU 7 HG LEU 7 -4.381 -3.387 -6.424 43 HD11 LEU 7 HD11 LEU 7 -2.309 -2.446 -6.222 44 HD12 LEU 7 HD12 LEU 7 -1.916 -3.873 -7.182 45 HD13 LEU 7 HD13 LEU 7 -1.620 -3.871 -5.444 46 HD21 LEU 7 HD21 LEU 7 -3.007 -5.599 -7.333 47 HD22 LEU 7 HD22 LEU 7 -4.759 -5.422 -7.241 48 HD23 LEU 7 HD23 LEU 7 -3.883 -6.200 -5.928 49 HA PRO 8 HA PRO 8 -6.789 -6.456 -1.114 50 HB2 PRO 8 HB2 PRO 8 -6.123 -8.981 -1.571 51 HB3 PRO 8 HB1 PRO 8 -7.385 -8.190 -2.525 52 HG2 PRO 8 HG2 PRO 8 -4.552 -8.754 -3.216 53 HG3 PRO 8 HG1 PRO 8 -6.000 -8.870 -4.228 54 HD2 PRO 8 HD2 PRO 8 -4.210 -6.745 -4.191 55 HD3 PRO 8 HD1 PRO 8 -5.836 -6.656 -4.856 56 H LYS 9 HN LYS 9 -5.940 -7.763 0.623 57 HA LYS 9 HA LYS 9 -3.682 -6.695 1.789 58 HB2 LYS 9 HB2 LYS 9 -4.672 -9.473 2.398 59 HB3 LYS 9 HB1 LYS 9 -3.896 -8.336 3.492 60 HG2 LYS 9 HG2 LYS 9 -6.195 -7.050 2.509 61 HG3 LYS 9 HG1 LYS 9 -6.675 -8.696 2.923 62 HD2 LYS 9 HD2 LYS 9 -5.069 -7.937 5.041 63 HD3 LYS 9 HD1 LYS 9 -5.967 -6.468 4.655 64 HE2 LYS 9 HE2 LYS 9 -7.204 -7.725 6.286 65 HE3 LYS 9 HE1 LYS 9 -8.065 -7.787 4.749 66 HZ1 LYS 9 HZ1 LYS 9 -7.718 -9.987 4.541 67 HZ2 LYS 9 HZ2 LYS 9 -7.555 -9.932 6.224 68 HZ3 LYS 9 HZ3 LYS 9 -6.178 -9.941 5.241 69 H SER 10 HN SER 10 -3.877 -9.274 -0.510 70 HA SER 10 HA SER 10 -1.320 -10.411 0.087 71 HB2 SER 10 HB2 SER 10 -3.515 -11.228 -1.364 72 HB3 SER 10 HB1 SER 10 -2.329 -10.877 -2.621 73 HG SER 10 HG SER 10 -1.960 -12.585 -0.384 74 H GLU 11 HN GLU 11 -2.379 -7.702 -1.788 75 HA GLU 11 HA GLU 11 0.133 -7.629 -3.296 76 HB2 GLU 11 HB2 GLU 11 -2.572 -6.631 -3.636 77 HB3 GLU 11 HB1 GLU 11 -1.378 -5.388 -3.953 78 HG2 GLU 11 HG2 GLU 11 -0.747 -7.935 -5.218 79 HG3 GLU 11 HG1 GLU 11 -2.303 -7.273 -5.726 80 H CYS 12 HN CYS 12 -1.729 -5.822 -0.946 81 HA CYS 12 HA CYS 12 0.396 -3.835 -0.740 82 HB2 CYS 12 HB2 CYS 12 -2.483 -3.945 -0.055 83 HB3 CYS 12 HB1 CYS 12 -1.464 -2.902 0.947 84 H THR 13 HN THR 13 1.981 -4.404 0.545 85 HA THR 13 HA THR 13 1.320 -5.656 3.129 86 HB THR 13 HB THR 13 3.723 -6.556 2.975 87 HG1 THR 13 HG1 THR 13 4.545 -6.688 0.871 88 HG21 THR 13 HG21 THR 13 3.126 -8.484 1.788 89 HG22 THR 13 HG22 THR 13 1.982 -7.610 0.765 90 HG23 THR 13 HG23 THR 13 1.611 -7.891 2.470 91 H GLN 14 HN GLN 14 2.298 -4.832 4.974 92 HA GLN 14 HA GLN 14 2.868 -2.144 5.131 93 HB2 GLN 14 HB2 GLN 14 3.769 -4.440 6.865 94 HB3 GLN 14 HB1 GLN 14 4.145 -2.769 7.262 95 HG2 GLN 14 HG2 GLN 14 2.232 -3.236 8.498 96 HG3 GLN 14 HG1 GLN 14 1.635 -2.345 7.099 97 HE21 GLN 14 HE21 GLN 14 0.346 -3.376 5.600 98 HE22 GLN 14 HE22 GLN 14 -0.309 -4.954 5.854 99 H PHE 15 HN PHE 15 4.900 -4.770 4.190 100 HA PHE 15 HA PHE 15 7.433 -3.600 4.380 101 HB2 PHE 15 HB2 PHE 15 6.193 -5.895 3.065 102 HB3 PHE 15 HB1 PHE 15 7.543 -5.242 2.156 103 HD1 PHE 15 HD2 PHE 15 9.760 -4.985 3.339 104 HD2 PHE 15 HD1 PHE 15 6.530 -7.238 4.948 105 HE1 PHE 15 HE2 PHE 15 11.328 -6.157 4.820 106 HE2 PHE 15 HE1 PHE 15 8.093 -8.419 6.439 107 HZ PHE 15 HZ PHE 15 10.497 -7.880 6.376 108 H ARG 16 HN ARG 16 4.963 -3.460 1.886 109 HA ARG 16 HA ARG 16 6.432 -2.257 -0.149 110 HB2 ARG 16 HB2 ARG 16 3.514 -1.755 0.432 111 HB3 ARG 16 HB1 ARG 16 4.321 -1.651 -1.118 112 HG2 ARG 16 HG2 ARG 16 3.960 -4.156 0.479 113 HG3 ARG 16 HG1 ARG 16 2.984 -3.672 -0.907 114 HD2 ARG 16 HD2 ARG 16 4.798 -3.910 -2.393 115 HD3 ARG 16 HD1 ARG 16 5.968 -3.970 -1.075 116 HE ARG 16 HE ARG 16 4.037 -6.117 -1.082 117 HH11 ARG 16 HH11 ARG 16 7.177 -5.045 -2.169 118 HH12 ARG 16 HH12 ARG 16 7.785 -6.651 -2.391 119 HH21 ARG 16 HH21 ARG 16 4.836 -8.227 -1.376 120 HH22 ARG 16 HH22 ARG 16 6.457 -8.457 -1.942 121 H CYS 17 HN CYS 17 4.551 -0.710 2.458 122 HA CYS 17 HA CYS 17 5.159 1.915 1.584 123 HB2 CYS 17 HB2 CYS 17 4.032 0.760 4.092 124 HB3 CYS 17 HB1 CYS 17 4.559 2.437 4.073 125 H ARG 18 HN ARG 18 6.875 -0.402 3.441 126 HA ARG 18 HA ARG 18 8.596 1.281 4.889 127 HB2 ARG 18 HB2 ARG 18 8.301 -1.477 4.507 128 HB3 ARG 18 HB1 ARG 18 9.945 -1.101 3.958 129 HG2 ARG 18 HG2 ARG 18 9.702 0.280 6.349 130 HG3 ARG 18 HG1 ARG 18 8.846 -1.232 6.653 131 HD2 ARG 18 HD2 ARG 18 11.445 -1.435 5.257 132 HD3 ARG 18 HD1 ARG 18 11.496 -0.953 6.952 133 HE ARG 18 HE ARG 18 9.823 -3.190 6.693 134 HH11 ARG 18 HH11 ARG 18 13.199 -2.337 6.451 135 HH12 ARG 18 HH12 ARG 18 13.758 -3.912 6.904 136 HH21 ARG 18 HH21 ARG 18 10.557 -5.262 7.289 137 HH22 ARG 18 HH22 ARG 18 12.258 -5.573 7.379 138 H THR 19 HN THR 19 8.995 -0.355 1.847 139 HA THR 19 HA THR 19 11.316 1.331 1.266 140 HB THR 19 HB THR 19 11.927 -0.891 1.640 141 HG1 THR 19 HG1 THR 19 12.674 0.123 -0.419 142 HG21 THR 19 HG21 THR 19 9.829 -1.987 1.537 143 HG22 THR 19 HG22 THR 19 10.961 -2.801 0.449 144 HG23 THR 19 HG23 THR 19 9.720 -1.730 -0.208 145 H SER 20 HN SER 20 8.298 0.114 -0.083 146 HA SER 20 HA SER 20 8.875 1.468 -2.623 147 HB2 SER 20 HB2 SER 20 6.768 -0.553 -1.852 148 HB3 SER 20 HB1 SER 20 6.801 0.263 -3.415 149 HG SER 20 HG SER 20 8.104 -1.291 -3.955 150 H MET 21 HN MET 21 8.109 3.432 -2.981 151 HA MET 21 HA MET 21 6.161 4.630 -1.231 152 HB2 MET 21 HB2 MET 21 7.517 5.692 -3.715 153 HB3 MET 21 HB1 MET 21 6.496 6.641 -2.645 154 HG2 MET 21 HG2 MET 21 8.539 7.208 -1.840 155 HG3 MET 21 HG1 MET 21 8.197 5.809 -0.825 156 HE1 MET 21 HE1 MET 21 9.634 7.114 -3.992 157 HE2 MET 21 HE2 MET 21 9.640 5.536 -4.780 158 HE3 MET 21 HE3 MET 21 11.154 6.253 -4.229 159 H LYS 22 HN LYS 22 6.249 3.518 -4.573 160 HA LYS 22 HA LYS 22 3.895 4.566 -5.550 161 HB2 LYS 22 HB2 LYS 22 5.610 3.297 -6.842 162 HB3 LYS 22 HB1 LYS 22 4.974 1.811 -6.152 163 HG2 LYS 22 HG2 LYS 22 3.901 1.857 -8.169 164 HG3 LYS 22 HG1 LYS 22 2.713 2.663 -7.144 165 HD2 LYS 22 HD2 LYS 22 3.184 4.754 -8.022 166 HD3 LYS 22 HD1 LYS 22 4.789 4.271 -8.575 167 HE2 LYS 22 HE2 LYS 22 3.187 2.598 -10.008 168 HE3 LYS 22 HE1 LYS 22 2.183 4.044 -9.904 169 HZ1 LYS 22 HZ1 LYS 22 3.418 4.439 -11.783 170 HZ2 LYS 22 HZ2 LYS 22 4.813 3.700 -11.175 171 HZ3 LYS 22 HZ3 LYS 22 4.354 5.229 -10.615 172 H TYR 23 HN TYR 23 4.306 1.482 -3.828 173 HA TYR 23 HA TYR 23 1.632 0.643 -3.992 174 HB2 TYR 23 HB2 TYR 23 3.888 -0.015 -2.125 175 HB3 TYR 23 HB1 TYR 23 2.290 -0.718 -1.902 176 HD1 TYR 23 HD2 TYR 23 4.378 -0.063 -4.928 177 HD2 TYR 23 HD1 TYR 23 2.318 -2.917 -2.548 178 HE1 TYR 23 HE2 TYR 23 4.939 -1.820 -6.560 179 HE2 TYR 23 HE1 TYR 23 2.873 -4.681 -4.160 180 HH TYR 23 HH TYR 23 3.458 -4.605 -6.845 181 H ARG 24 HN ARG 24 3.157 2.940 -1.926 182 HA ARG 24 HA ARG 24 1.193 2.831 0.164 183 HB2 ARG 24 HB2 ARG 24 2.864 5.255 -0.156 184 HB3 ARG 24 HB1 ARG 24 2.491 4.333 1.289 185 HG2 ARG 24 HG2 ARG 24 4.050 2.573 0.470 186 HG3 ARG 24 HG1 ARG 24 4.507 3.663 -0.836 187 HD2 ARG 24 HD2 ARG 24 5.133 5.353 0.877 188 HD3 ARG 24 HD1 ARG 24 4.831 4.141 2.121 189 HE ARG 24 HE ARG 24 6.589 2.848 0.622 190 HH11 ARG 24 HH11 ARG 24 6.615 6.172 1.714 191 HH12 ARG 24 HH12 ARG 24 8.342 6.281 1.730 192 HH21 ARG 24 HH21 ARG 24 8.859 3.000 0.654 193 HH22 ARG 24 HH22 ARG 24 9.615 4.483 1.131 194 H LEU 25 HN LEU 25 2.023 5.425 -2.121 195 HA LEU 25 HA LEU 25 -0.558 6.667 -1.614 196 HB2 LEU 25 HB2 LEU 25 1.616 7.677 -3.423 197 HB3 LEU 25 HB1 LEU 25 0.342 8.599 -2.643 198 HG LEU 25 HG LEU 25 2.123 9.183 -1.324 199 HD11 LEU 25 HD11 LEU 25 0.327 7.555 -0.106 200 HD12 LEU 25 HD12 LEU 25 1.598 8.444 0.729 201 HD13 LEU 25 HD13 LEU 25 1.843 6.752 0.302 202 HD21 LEU 25 HD21 LEU 25 3.611 6.884 -0.701 203 HD22 LEU 25 HD22 LEU 25 4.085 8.238 -1.725 204 HD23 LEU 25 HD23 LEU 25 3.309 6.826 -2.438 205 H ASN 26 HN ASN 26 1.243 5.300 -4.326 206 HA ASN 26 HA ASN 26 -0.684 6.004 -6.283 207 HB2 ASN 26 HB2 ASN 26 1.868 5.276 -6.413 208 HB3 ASN 26 HB1 ASN 26 1.135 3.708 -6.750 209 HD21 ASN 26 HD21 ASN 26 2.008 6.718 -8.003 210 HD22 ASN 26 HD22 ASN 26 1.283 6.556 -9.563 211 H LEU 27 HN LEU 27 -0.171 3.045 -4.383 212 HA LEU 27 HA LEU 27 -2.457 1.830 -5.754 213 HB2 LEU 27 HB2 LEU 27 -0.241 0.748 -4.072 214 HB3 LEU 27 HB1 LEU 27 -1.742 -0.149 -4.177 215 HG LEU 27 HG LEU 27 -1.493 -0.179 -6.658 216 HD11 LEU 27 HD11 LEU 27 1.281 0.847 -6.088 217 HD12 LEU 27 HD12 LEU 27 -0.019 1.801 -6.803 218 HD13 LEU 27 HD13 LEU 27 0.615 0.394 -7.657 219 HD21 LEU 27 HD21 LEU 27 -0.045 -2.017 -6.665 220 HD22 LEU 27 HD22 LEU 27 -0.704 -1.981 -5.029 221 HD23 LEU 27 HD23 LEU 27 0.922 -1.373 -5.338 222 H CYS 28 HN CYS 28 -1.978 0.638 -2.569 223 HA CYS 28 HA CYS 28 -4.543 1.773 -1.769 224 HB2 CYS 28 HB2 CYS 28 -4.401 0.159 0.050 225 HB3 CYS 28 HB1 CYS 28 -4.065 -0.640 -1.489 226 H LYS 29 HN LYS 29 -4.831 2.956 0.104 227 HA LYS 29 HA LYS 29 -2.570 4.548 0.917 228 HB2 LYS 29 HB2 LYS 29 -5.477 4.648 1.728 229 HB3 LYS 29 HB1 LYS 29 -4.252 5.798 2.250 230 HG2 LYS 29 HG2 LYS 29 -4.177 5.583 -0.597 231 HG3 LYS 29 HG1 LYS 29 -5.839 5.876 -0.075 232 HD2 LYS 29 HD2 LYS 29 -5.384 7.975 0.594 233 HD3 LYS 29 HD1 LYS 29 -3.833 7.516 1.299 234 HE2 LYS 29 HE2 LYS 29 -2.686 8.038 -0.568 235 HE3 LYS 29 HE1 LYS 29 -3.944 7.416 -1.636 236 HZ1 LYS 29 HZ1 LYS 29 -3.988 9.673 -2.036 237 HZ2 LYS 29 HZ2 LYS 29 -3.705 10.089 -0.421 238 HZ3 LYS 29 HZ3 LYS 29 -5.221 9.504 -0.890 239 H LYS 30 HN LYS 30 -5.032 2.655 2.639 240 HA LYS 30 HA LYS 30 -3.452 2.635 5.037 241 HB2 LYS 30 HB2 LYS 30 -5.802 2.857 5.296 242 HB3 LYS 30 HB1 LYS 30 -6.107 1.421 4.327 243 HG2 LYS 30 HG2 LYS 30 -6.446 0.735 6.532 244 HG3 LYS 30 HG1 LYS 30 -4.836 0.140 6.117 245 HD2 LYS 30 HD2 LYS 30 -4.503 1.064 8.211 246 HD3 LYS 30 HD1 LYS 30 -4.016 2.372 7.132 247 HE2 LYS 30 HE2 LYS 30 -6.185 3.432 7.400 248 HE3 LYS 30 HE1 LYS 30 -6.732 2.099 8.416 249 HZ1 LYS 30 HZ1 LYS 30 -5.750 4.331 9.410 250 HZ2 LYS 30 HZ2 LYS 30 -4.299 3.478 9.242 251 HZ3 LYS 30 HZ3 LYS 30 -5.552 2.837 10.181 252 H THR 31 HN THR 31 -4.723 0.002 2.954 253 HA THR 31 HA THR 31 -3.690 -2.112 4.327 254 HB THR 31 HB THR 31 -3.815 -1.898 1.323 255 HG1 THR 31 HG1 THR 31 -5.881 -2.863 1.667 256 HG21 THR 31 HG21 THR 31 -3.916 -4.232 1.241 257 HG22 THR 31 HG22 THR 31 -4.105 -4.365 2.988 258 HG23 THR 31 HG23 THR 31 -2.560 -3.859 2.307 259 H CYS 32 HN CYS 32 -1.900 0.087 2.312 260 HA CYS 32 HA CYS 32 0.433 -1.598 2.159 261 HB2 CYS 32 HB2 CYS 32 0.227 0.002 0.414 262 HB3 CYS 32 HB1 CYS 32 0.019 1.330 1.549 263 H GLY 33 HN GLY 33 -0.918 0.339 4.551 264 HA2 GLY 33 HA2 GLY 33 -0.192 0.435 6.775 265 HA3 GLY 33 HA1 GLY 33 1.396 -0.101 6.257 266 H THR 34 HN THR 34 -0.489 2.692 5.098 267 HA THR 34 HA THR 34 1.540 4.442 6.310 268 HB THR 34 HB THR 34 2.193 4.340 4.024 269 HG1 THR 34 HG1 THR 34 1.880 6.489 3.405 270 HG21 THR 34 HG21 THR 34 0.110 3.458 3.061 271 HG22 THR 34 HG22 THR 34 0.784 4.810 2.150 272 HG23 THR 34 HG23 THR 34 -0.600 5.066 3.212 273 H CYS 35 HN CYS 35 -1.751 4.040 5.162 274 HA CYS 35 HA CYS 35 -2.726 6.612 5.607 275 HB2 CYS 35 HB2 CYS 35 -3.982 4.745 4.510 276 HB3 CYS 35 HB1 CYS 35 -4.243 4.045 6.104 Start of MODEL 10 1 H1 ALA 2 HT1 ALA 2 -12.110 8.608 2.486 2 H2 ALA 2 HT2 ALA 2 -11.185 8.078 3.832 3 H3 ALA 2 HT3 ALA 2 -11.619 6.969 2.596 4 HA ALA 2 HA ALA 2 -10.366 8.438 1.044 5 HB1 ALA 2 HB1 ALA 2 -9.844 9.721 3.641 6 HB2 ALA 2 HB2 ALA 2 -9.831 10.398 2.013 7 HB3 ALA 2 HB3 ALA 2 -8.436 9.495 2.603 8 H CYS 3 HN CYS 3 -9.869 6.578 3.948 9 HA CYS 3 HA CYS 3 -7.334 5.509 3.034 10 HB2 CYS 3 HB2 CYS 3 -9.034 5.031 5.475 11 HB3 CYS 3 HB1 CYS 3 -7.627 4.037 5.117 12 H LYS 4 HN LYS 4 -7.896 4.465 1.108 13 HA LYS 4 HA LYS 4 -9.382 1.954 1.499 14 HB2 LYS 4 HB2 LYS 4 -9.464 3.787 -0.903 15 HB3 LYS 4 HB1 LYS 4 -10.131 2.160 -0.883 16 HG2 LYS 4 HG2 LYS 4 -11.066 3.866 1.303 17 HG3 LYS 4 HG1 LYS 4 -11.514 4.428 -0.309 18 HD2 LYS 4 HD2 LYS 4 -12.460 2.217 -0.805 19 HD3 LYS 4 HD1 LYS 4 -12.031 1.677 0.820 20 HE2 LYS 4 HE2 LYS 4 -13.516 3.317 1.796 21 HE3 LYS 4 HE1 LYS 4 -13.879 3.978 0.202 22 HZ1 LYS 4 HZ1 LYS 4 -14.861 1.551 1.474 23 HZ2 LYS 4 HZ2 LYS 4 -14.548 1.449 -0.185 24 HZ3 LYS 4 HZ3 LYS 4 -15.638 2.602 0.399 25 H ASP 5 HN ASP 5 -8.860 0.351 -0.308 26 HA ASP 5 HA ASP 5 -6.006 0.535 -0.945 27 HB2 ASP 5 HB2 ASP 5 -5.839 -1.890 -0.609 28 HB3 ASP 5 HB1 ASP 5 -6.388 -1.074 0.851 29 H TYR 6 HN TYR 6 -5.468 0.337 -2.974 30 HA TYR 6 HA TYR 6 -7.452 -0.134 -4.992 31 HB2 TYR 6 HB2 TYR 6 -4.859 1.062 -4.850 32 HB3 TYR 6 HB1 TYR 6 -4.841 -0.147 -6.129 33 HD1 TYR 6 HD2 TYR 6 -7.657 2.025 -5.027 34 HD2 TYR 6 HD1 TYR 6 -4.844 1.125 -8.090 35 HE1 TYR 6 HE2 TYR 6 -8.792 3.610 -6.527 36 HE2 TYR 6 HE1 TYR 6 -5.971 2.707 -9.598 37 HH TYR 6 HH TYR 6 -7.508 4.893 -9.156 38 H LEU 7 HN LEU 7 -5.582 -2.190 -3.128 39 HA LEU 7 HA LEU 7 -6.072 -4.392 -4.982 40 HB2 LEU 7 HB2 LEU 7 -3.400 -3.504 -4.009 41 HB3 LEU 7 HB1 LEU 7 -3.681 -5.204 -4.183 42 HG LEU 7 HG LEU 7 -4.387 -3.469 -6.479 43 HD11 LEU 7 HD11 LEU 7 -1.683 -3.785 -5.374 44 HD12 LEU 7 HD12 LEU 7 -2.342 -2.537 -6.432 45 HD13 LEU 7 HD13 LEU 7 -1.843 -4.090 -7.103 46 HD21 LEU 7 HD21 LEU 7 -4.812 -5.561 -7.165 47 HD22 LEU 7 HD22 LEU 7 -3.759 -6.283 -5.953 48 HD23 LEU 7 HD23 LEU 7 -3.072 -5.632 -7.438 49 HA PRO 8 HA PRO 8 -6.864 -6.604 -1.249 50 HB2 PRO 8 HB2 PRO 8 -6.101 -9.105 -1.679 51 HB3 PRO 8 HB1 PRO 8 -7.348 -8.354 -2.686 52 HG2 PRO 8 HG2 PRO 8 -4.466 -8.812 -3.255 53 HG3 PRO 8 HG1 PRO 8 -5.865 -8.997 -4.325 54 HD2 PRO 8 HD2 PRO 8 -4.177 -6.800 -4.247 55 HD3 PRO 8 HD1 PRO 8 -5.791 -6.778 -4.950 56 H LYS 9 HN LYS 9 -6.030 -7.881 0.521 57 HA LYS 9 HA LYS 9 -3.831 -6.733 1.738 58 HB2 LYS 9 HB2 LYS 9 -4.897 -9.492 2.339 59 HB3 LYS 9 HB1 LYS 9 -4.025 -8.433 3.438 60 HG2 LYS 9 HG2 LYS 9 -6.418 -7.198 2.335 61 HG3 LYS 9 HG1 LYS 9 -6.753 -8.673 3.243 62 HD2 LYS 9 HD2 LYS 9 -4.831 -6.889 4.543 63 HD3 LYS 9 HD1 LYS 9 -6.432 -6.179 4.328 64 HE2 LYS 9 HE2 LYS 9 -7.454 -7.743 5.676 65 HE3 LYS 9 HE1 LYS 9 -6.199 -8.951 5.405 66 HZ1 LYS 9 HZ1 LYS 9 -4.752 -7.184 6.660 67 HZ2 LYS 9 HZ2 LYS 9 -5.698 -8.296 7.513 68 HZ3 LYS 9 HZ3 LYS 9 -6.249 -6.713 7.293 69 H SER 10 HN SER 10 -3.885 -9.289 -0.574 70 HA SER 10 HA SER 10 -1.331 -10.384 0.152 71 HB2 SER 10 HB2 SER 10 -2.924 -11.860 -0.876 72 HB3 SER 10 HB1 SER 10 -3.096 -10.788 -2.266 73 HG SER 10 HG SER 10 -1.414 -12.776 -2.000 74 H GLU 11 HN GLU 11 -2.369 -7.711 -1.770 75 HA GLU 11 HA GLU 11 0.156 -7.663 -3.256 76 HB2 GLU 11 HB2 GLU 11 -2.542 -6.658 -3.639 77 HB3 GLU 11 HB1 GLU 11 -1.337 -5.424 -3.956 78 HG2 GLU 11 HG2 GLU 11 -0.639 -7.948 -5.186 79 HG3 GLU 11 HG1 GLU 11 -2.239 -7.396 -5.688 80 H CYS 12 HN CYS 12 -1.714 -5.824 -0.940 81 HA CYS 12 HA CYS 12 0.423 -3.848 -0.737 82 HB2 CYS 12 HB2 CYS 12 -2.462 -3.929 -0.088 83 HB3 CYS 12 HB1 CYS 12 -1.453 -2.903 0.939 84 H THR 13 HN THR 13 1.986 -4.334 0.598 85 HA THR 13 HA THR 13 1.310 -5.606 3.169 86 HB THR 13 HB THR 13 3.725 -6.484 3.037 87 HG1 THR 13 HG1 THR 13 4.806 -5.843 1.386 88 HG21 THR 13 HG21 THR 13 2.004 -7.555 0.817 89 HG22 THR 13 HG22 THR 13 1.633 -7.844 2.520 90 HG23 THR 13 HG23 THR 13 3.156 -8.419 1.841 91 H GLN 14 HN GLN 14 2.291 -4.787 5.024 92 HA GLN 14 HA GLN 14 2.831 -2.094 5.197 93 HB2 GLN 14 HB2 GLN 14 4.144 -4.179 6.948 94 HB3 GLN 14 HB1 GLN 14 3.772 -2.514 7.372 95 HG2 GLN 14 HG2 GLN 14 1.848 -4.782 6.949 96 HG3 GLN 14 HG1 GLN 14 2.165 -3.888 8.435 97 HE21 GLN 14 HE21 GLN 14 0.368 -4.025 5.526 98 HE22 GLN 14 HE22 GLN 14 -0.543 -2.575 5.754 99 H PHE 15 HN PHE 15 4.887 -4.690 4.221 100 HA PHE 15 HA PHE 15 7.403 -3.473 4.405 101 HB2 PHE 15 HB2 PHE 15 6.205 -5.806 3.109 102 HB3 PHE 15 HB1 PHE 15 7.550 -5.137 2.203 103 HD1 PHE 15 HD1 PHE 15 9.759 -4.843 3.383 104 HD2 PHE 15 HD2 PHE 15 6.551 -7.109 5.020 105 HE1 PHE 15 HE1 PHE 15 11.337 -5.976 4.886 106 HE2 PHE 15 HE2 PHE 15 8.124 -8.250 6.530 107 HZ PHE 15 HZ PHE 15 10.522 -7.684 6.466 108 H ARG 16 HN ARG 16 4.932 -3.428 1.889 109 HA ARG 16 HA ARG 16 6.360 -2.196 -0.151 110 HB2 ARG 16 HB2 ARG 16 3.434 -1.832 0.514 111 HB3 ARG 16 HB1 ARG 16 4.186 -1.493 -1.030 112 HG2 ARG 16 HG2 ARG 16 4.148 -4.202 0.237 113 HG3 ARG 16 HG1 ARG 16 2.938 -3.635 -0.913 114 HD2 ARG 16 HD2 ARG 16 4.335 -4.626 -2.397 115 HD3 ARG 16 HD1 ARG 16 5.155 -3.068 -2.299 116 HE ARG 16 HE ARG 16 6.287 -4.574 -0.319 117 HH11 ARG 16 HH11 ARG 16 5.874 -4.940 -3.765 118 HH12 ARG 16 HH12 ARG 16 7.319 -5.873 -3.965 119 HH21 ARG 16 HH21 ARG 16 8.187 -5.802 -0.580 120 HH22 ARG 16 HH22 ARG 16 8.631 -6.364 -2.157 121 H CYS 17 HN CYS 17 4.493 -0.672 2.476 122 HA CYS 17 HA CYS 17 5.078 1.964 1.602 123 HB2 CYS 17 HB2 CYS 17 3.949 0.796 4.106 124 HB3 CYS 17 HB1 CYS 17 4.460 2.479 4.085 125 H ARG 18 HN ARG 18 6.807 -0.348 3.449 126 HA ARG 18 HA ARG 18 8.505 1.344 4.917 127 HB2 ARG 18 HB2 ARG 18 8.232 -1.413 4.531 128 HB3 ARG 18 HB1 ARG 18 9.872 -1.027 3.979 129 HG2 ARG 18 HG2 ARG 18 9.773 0.336 6.324 130 HG3 ARG 18 HG1 ARG 18 8.722 -1.032 6.694 131 HD2 ARG 18 HD2 ARG 18 11.042 -1.510 7.286 132 HD3 ARG 18 HD1 ARG 18 10.474 -2.579 6.004 133 HE ARG 18 HE ARG 18 11.668 -0.507 4.688 134 HH11 ARG 18 HH11 ARG 18 12.683 -2.768 7.145 135 HH12 ARG 18 HH12 ARG 18 14.340 -2.763 6.642 136 HH21 ARG 18 HH21 ARG 18 13.846 -0.499 4.025 137 HH22 ARG 18 HH22 ARG 18 15.001 -1.475 4.871 138 H THR 19 HN THR 19 8.927 -0.282 1.873 139 HA THR 19 HA THR 19 11.232 1.426 1.296 140 HB THR 19 HB THR 19 11.858 -0.796 1.670 141 HG1 THR 19 HG1 THR 19 11.625 -0.550 -1.158 142 HG21 THR 19 HG21 THR 19 10.910 -2.706 0.463 143 HG22 THR 19 HG22 THR 19 9.667 -1.639 -0.195 144 HG23 THR 19 HG23 THR 19 9.769 -1.906 1.550 145 H SER 20 HN SER 20 8.228 0.177 -0.049 146 HA SER 20 HA SER 20 8.787 1.509 -2.601 147 HB2 SER 20 HB2 SER 20 6.390 -0.211 -1.970 148 HB3 SER 20 HB1 SER 20 7.045 0.205 -3.553 149 HG SER 20 HG SER 20 8.745 -1.144 -3.211 150 H MET 21 HN MET 21 8.070 3.495 -2.942 151 HA MET 21 HA MET 21 6.136 4.728 -1.202 152 HB2 MET 21 HB2 MET 21 7.949 5.604 -3.375 153 HB3 MET 21 HB1 MET 21 6.497 6.566 -3.143 154 HG2 MET 21 HG2 MET 21 7.192 7.395 -1.164 155 HG3 MET 21 HG1 MET 21 8.040 5.917 -0.717 156 HE1 MET 21 HE1 MET 21 8.275 9.206 -2.987 157 HE2 MET 21 HE2 MET 21 9.819 9.701 -2.293 158 HE3 MET 21 HE3 MET 21 8.435 9.405 -1.242 159 H LYS 22 HN LYS 22 6.209 3.586 -4.531 160 HA LYS 22 HA LYS 22 3.871 4.687 -5.512 161 HB2 LYS 22 HB2 LYS 22 5.475 3.511 -6.912 162 HB3 LYS 22 HB1 LYS 22 5.091 1.991 -6.117 163 HG2 LYS 22 HG2 LYS 22 3.732 1.682 -7.863 164 HG3 LYS 22 HG1 LYS 22 2.640 2.753 -6.988 165 HD2 LYS 22 HD2 LYS 22 3.034 4.519 -8.378 166 HD3 LYS 22 HD1 LYS 22 4.686 4.008 -8.733 167 HE2 LYS 22 HE2 LYS 22 2.208 2.634 -9.764 168 HE3 LYS 22 HE1 LYS 22 3.140 3.825 -10.671 169 HZ1 LYS 22 HZ1 LYS 22 4.695 1.636 -9.597 170 HZ2 LYS 22 HZ2 LYS 22 4.732 2.339 -11.135 171 HZ3 LYS 22 HZ3 LYS 22 3.558 1.179 -10.765 172 H TYR 23 HN TYR 23 4.248 1.548 -3.879 173 HA TYR 23 HA TYR 23 1.581 0.731 -4.045 174 HB2 TYR 23 HB2 TYR 23 3.827 0.056 -2.178 175 HB3 TYR 23 HB1 TYR 23 2.227 -0.637 -1.948 176 HD1 TYR 23 HD1 TYR 23 4.229 0.022 -5.025 177 HD2 TYR 23 HD2 TYR 23 2.309 -2.848 -2.552 178 HE1 TYR 23 HE1 TYR 23 4.773 -1.739 -6.658 179 HE2 TYR 23 HE2 TYR 23 2.846 -4.617 -4.164 180 HH TYR 23 HH TYR 23 4.766 -4.892 -6.032 181 H ARG 24 HN ARG 24 3.099 2.976 -1.908 182 HA ARG 24 HA ARG 24 1.127 2.841 0.160 183 HB2 ARG 24 HB2 ARG 24 2.752 5.299 -0.137 184 HB3 ARG 24 HB1 ARG 24 2.398 4.354 1.299 185 HG2 ARG 24 HG2 ARG 24 3.986 2.626 0.431 186 HG3 ARG 24 HG1 ARG 24 4.434 3.771 -0.831 187 HD2 ARG 24 HD2 ARG 24 5.033 5.407 0.931 188 HD3 ARG 24 HD1 ARG 24 4.714 4.166 2.143 189 HE ARG 24 HE ARG 24 6.503 2.911 0.653 190 HH11 ARG 24 HH11 ARG 24 6.497 6.219 1.795 191 HH12 ARG 24 HH12 ARG 24 8.223 6.335 1.839 192 HH21 ARG 24 HH21 ARG 24 8.771 3.071 0.724 193 HH22 ARG 24 HH22 ARG 24 9.514 4.551 1.233 194 H LEU 25 HN LEU 25 1.903 5.478 -2.098 195 HA LEU 25 HA LEU 25 -0.707 6.656 -1.579 196 HB2 LEU 25 HB2 LEU 25 1.446 7.743 -3.368 197 HB3 LEU 25 HB1 LEU 25 0.150 8.623 -2.573 198 HG LEU 25 HG LEU 25 1.912 9.224 -1.239 199 HD11 LEU 25 HD11 LEU 25 1.431 8.415 0.804 200 HD12 LEU 25 HD12 LEU 25 1.676 6.737 0.321 201 HD13 LEU 25 HD13 LEU 25 0.155 7.550 -0.050 202 HD21 LEU 25 HD21 LEU 25 3.461 6.952 -0.664 203 HD22 LEU 25 HD22 LEU 25 3.899 8.339 -1.660 204 HD23 LEU 25 HD23 LEU 25 3.158 6.922 -2.401 205 H ASN 26 HN ASN 26 1.129 5.359 -4.299 206 HA ASN 26 HA ASN 26 -0.791 6.062 -6.262 207 HB2 ASN 26 HB2 ASN 26 1.767 5.378 -6.383 208 HB3 ASN 26 HB1 ASN 26 1.068 3.797 -6.731 209 HD21 ASN 26 HD21 ASN 26 2.133 6.614 -8.066 210 HD22 ASN 26 HD22 ASN 26 1.332 6.527 -9.594 211 H LEU 27 HN LEU 27 -0.258 3.082 -4.401 212 HA LEU 27 HA LEU 27 -2.533 1.873 -5.800 213 HB2 LEU 27 HB2 LEU 27 -0.273 0.780 -4.199 214 HB3 LEU 27 HB1 LEU 27 -1.772 -0.125 -4.236 215 HG LEU 27 HG LEU 27 -1.637 -0.134 -6.731 216 HD11 LEU 27 HD11 LEU 27 0.914 1.281 -6.112 217 HD12 LEU 27 HD12 LEU 27 -0.278 1.608 -7.370 218 HD13 LEU 27 HD13 LEU 27 0.810 0.228 -7.524 219 HD21 LEU 27 HD21 LEU 27 -0.225 -1.990 -6.806 220 HD22 LEU 27 HD22 LEU 27 -0.790 -1.949 -5.136 221 HD23 LEU 27 HD23 LEU 27 0.824 -1.360 -5.536 222 H CYS 28 HN CYS 28 -2.063 0.584 -2.656 223 HA CYS 28 HA CYS 28 -4.630 1.678 -1.832 224 HB2 CYS 28 HB2 CYS 28 -4.462 0.060 -0.030 225 HB3 CYS 28 HB1 CYS 28 -4.055 -0.728 -1.558 226 H LYS 29 HN LYS 29 -4.936 2.872 0.037 227 HA LYS 29 HA LYS 29 -2.695 4.503 0.833 228 HB2 LYS 29 HB2 LYS 29 -5.609 4.572 1.619 229 HB3 LYS 29 HB1 LYS 29 -4.403 5.723 2.182 230 HG2 LYS 29 HG2 LYS 29 -4.348 5.492 -0.694 231 HG3 LYS 29 HG1 LYS 29 -5.965 5.904 -0.115 232 HD2 LYS 29 HD2 LYS 29 -5.335 7.958 0.563 233 HD3 LYS 29 HD1 LYS 29 -3.779 7.388 1.171 234 HE2 LYS 29 HE2 LYS 29 -2.879 7.350 -1.076 235 HE3 LYS 29 HE1 LYS 29 -4.447 7.805 -1.741 236 HZ1 LYS 29 HZ1 LYS 29 -4.059 9.795 -0.033 237 HZ2 LYS 29 HZ2 LYS 29 -3.537 9.849 -1.641 238 HZ3 LYS 29 HZ3 LYS 29 -2.447 9.445 -0.412 239 H LYS 30 HN LYS 30 -5.136 2.600 2.567 240 HA LYS 30 HA LYS 30 -3.560 2.613 4.968 241 HB2 LYS 30 HB2 LYS 30 -5.937 2.810 5.171 242 HB3 LYS 30 HB1 LYS 30 -6.186 1.313 4.281 243 HG2 LYS 30 HG2 LYS 30 -6.502 0.693 6.492 244 HG3 LYS 30 HG1 LYS 30 -4.836 0.211 6.160 245 HD2 LYS 30 HD2 LYS 30 -3.972 1.733 7.574 246 HD3 LYS 30 HD1 LYS 30 -5.183 2.951 7.167 247 HE2 LYS 30 HE2 LYS 30 -6.578 2.308 8.824 248 HE3 LYS 30 HE1 LYS 30 -6.177 0.601 8.640 249 HZ1 LYS 30 HZ1 LYS 30 -3.904 1.454 9.632 250 HZ2 LYS 30 HZ2 LYS 30 -5.196 1.008 10.627 251 HZ3 LYS 30 HZ3 LYS 30 -4.907 2.641 10.299 252 H THR 31 HN THR 31 -4.805 -0.041 2.905 253 HA THR 31 HA THR 31 -3.767 -2.149 4.277 254 HB THR 31 HB THR 31 -3.875 -1.917 1.273 255 HG1 THR 31 HG1 THR 31 -5.924 -2.935 1.612 256 HG21 THR 31 HG21 THR 31 -3.935 -4.249 1.160 257 HG22 THR 31 HG22 THR 31 -4.135 -4.409 2.904 258 HG23 THR 31 HG23 THR 31 -2.593 -3.873 2.242 259 H CYS 32 HN CYS 32 -1.961 0.069 2.298 260 HA CYS 32 HA CYS 32 0.388 -1.605 2.180 261 HB2 CYS 32 HB2 CYS 32 0.184 -0.028 0.412 262 HB3 CYS 32 HB1 CYS 32 -0.054 1.311 1.527 263 H GLY 33 HN GLY 33 -1.006 0.365 4.527 264 HA2 GLY 33 HA2 GLY 33 -0.309 0.546 6.751 265 HA3 GLY 33 HA1 GLY 33 1.278 -0.036 6.277 266 H THR 34 HN THR 34 -0.705 2.774 5.299 267 HA THR 34 HA THR 34 1.377 4.540 6.346 268 HB THR 34 HB THR 34 2.065 4.334 4.067 269 HG1 THR 34 HG1 THR 34 1.999 6.473 4.892 270 HG21 THR 34 HG21 THR 34 0.652 4.814 2.169 271 HG22 THR 34 HG22 THR 34 -0.735 5.032 3.237 272 HG23 THR 34 HG23 THR 34 0.020 3.443 3.081 273 H CYS 35 HN CYS 35 -1.883 4.159 5.058 274 HA CYS 35 HA CYS 35 -2.814 6.759 5.468 275 HB2 CYS 35 HB2 CYS 35 -3.915 4.487 4.492 276 HB3 CYS 35 HB1 CYS 35 -4.731 4.589 6.044 Start of MODEL 11 1 H1 ALA 2 HT1 ALA 2 -12.045 7.596 7.030 2 H2 ALA 2 HT2 ALA 2 -11.774 8.671 5.720 3 H3 ALA 2 HT3 ALA 2 -10.522 7.620 6.244 4 HA ALA 2 HA ALA 2 -12.148 5.777 5.720 5 HB1 ALA 2 HB1 ALA 2 -13.967 6.210 4.434 6 HB2 ALA 2 HB2 ALA 2 -13.228 7.613 3.663 7 HB3 ALA 2 HB3 ALA 2 -13.886 7.748 5.293 8 H CYS 3 HN CYS 3 -10.260 4.893 5.006 9 HA CYS 3 HA CYS 3 -9.115 5.962 2.515 10 HB2 CYS 3 HB2 CYS 3 -7.924 5.062 4.945 11 HB3 CYS 3 HB1 CYS 3 -7.439 3.957 3.663 12 H LYS 4 HN LYS 4 -8.151 4.259 1.055 13 HA LYS 4 HA LYS 4 -9.512 1.689 1.155 14 HB2 LYS 4 HB2 LYS 4 -9.763 3.567 -1.202 15 HB3 LYS 4 HB1 LYS 4 -10.296 1.892 -1.185 16 HG2 LYS 4 HG2 LYS 4 -11.343 3.980 0.708 17 HG3 LYS 4 HG1 LYS 4 -12.095 3.597 -0.842 18 HD2 LYS 4 HD2 LYS 4 -12.105 1.165 0.006 19 HD3 LYS 4 HD1 LYS 4 -11.820 1.871 1.598 20 HE2 LYS 4 HE2 LYS 4 -13.936 3.292 0.303 21 HE3 LYS 4 HE1 LYS 4 -14.274 1.563 0.233 22 HZ1 LYS 4 HZ1 LYS 4 -14.127 3.335 2.541 23 HZ2 LYS 4 HZ2 LYS 4 -13.524 1.769 2.754 24 HZ3 LYS 4 HZ3 LYS 4 -15.126 1.998 2.263 25 H ASP 5 HN ASP 5 -8.756 0.226 -0.608 26 HA ASP 5 HA ASP 5 -5.952 0.786 -1.243 27 HB2 ASP 5 HB2 ASP 5 -5.549 -1.658 -0.947 28 HB3 ASP 5 HB1 ASP 5 -6.040 -0.832 0.530 29 H TYR 6 HN TYR 6 -5.296 0.465 -3.246 30 HA TYR 6 HA TYR 6 -7.189 -0.019 -5.320 31 HB2 TYR 6 HB2 TYR 6 -4.531 1.003 -5.112 32 HB3 TYR 6 HB1 TYR 6 -4.534 -0.269 -6.328 33 HD1 TYR 6 HD1 TYR 6 -6.644 2.655 -5.326 34 HD2 TYR 6 HD2 TYR 6 -4.957 0.375 -8.497 35 HE1 TYR 6 HE1 TYR 6 -7.595 4.231 -6.957 36 HE2 TYR 6 HE2 TYR 6 -5.902 1.945 -10.137 37 HH TYR 6 HH TYR 6 -6.735 4.803 -9.680 38 H LEU 7 HN LEU 7 -5.203 -2.053 -3.412 39 HA LEU 7 HA LEU 7 -5.896 -4.333 -5.129 40 HB2 LEU 7 HB2 LEU 7 -3.206 -3.542 -4.118 41 HB3 LEU 7 HB1 LEU 7 -3.572 -5.230 -4.242 42 HG LEU 7 HG LEU 7 -4.133 -3.561 -6.621 43 HD11 LEU 7 HD11 LEU 7 -2.058 -2.676 -6.468 44 HD12 LEU 7 HD12 LEU 7 -1.614 -4.229 -7.176 45 HD13 LEU 7 HD13 LEU 7 -1.461 -3.976 -5.438 46 HD21 LEU 7 HD21 LEU 7 -4.548 -5.634 -7.326 47 HD22 LEU 7 HD22 LEU 7 -3.708 -6.361 -5.960 48 HD23 LEU 7 HD23 LEU 7 -2.798 -5.840 -7.374 49 HA PRO 8 HA PRO 8 -6.882 -6.316 -1.311 50 HB2 PRO 8 HB2 PRO 8 -6.239 -8.871 -1.606 51 HB3 PRO 8 HB1 PRO 8 -7.432 -8.108 -2.668 52 HG2 PRO 8 HG2 PRO 8 -4.574 -8.748 -3.168 53 HG3 PRO 8 HG1 PRO 8 -5.966 -8.895 -4.254 54 HD2 PRO 8 HD2 PRO 8 -4.146 -6.800 -4.227 55 HD3 PRO 8 HD1 PRO 8 -5.735 -6.719 -4.978 56 H LYS 9 HN LYS 9 -6.156 -7.548 0.532 57 HA LYS 9 HA LYS 9 -3.932 -6.454 1.751 58 HB2 LYS 9 HB2 LYS 9 -5.193 -9.113 2.431 59 HB3 LYS 9 HB1 LYS 9 -4.229 -8.108 3.505 60 HG2 LYS 9 HG2 LYS 9 -6.628 -6.868 2.294 61 HG3 LYS 9 HG1 LYS 9 -6.886 -8.104 3.528 62 HD2 LYS 9 HD2 LYS 9 -5.035 -5.763 3.919 63 HD3 LYS 9 HD1 LYS 9 -6.745 -5.714 4.352 64 HE2 LYS 9 HE2 LYS 9 -4.924 -7.874 5.364 65 HE3 LYS 9 HE1 LYS 9 -5.056 -6.319 6.184 66 HZ1 LYS 9 HZ1 LYS 9 -7.089 -8.424 5.866 67 HZ2 LYS 9 HZ2 LYS 9 -7.573 -6.820 6.098 68 HZ3 LYS 9 HZ3 LYS 9 -6.621 -7.593 7.263 69 H SER 10 HN SER 10 -4.063 -9.126 -0.431 70 HA SER 10 HA SER 10 -1.581 -10.304 0.396 71 HB2 SER 10 HB2 SER 10 -2.810 -10.757 -2.303 72 HB3 SER 10 HB1 SER 10 -1.933 -11.890 -1.275 73 HG SER 10 HG SER 10 -4.602 -11.183 -1.262 74 H GLU 11 HN GLU 11 -2.459 -7.674 -1.662 75 HA GLU 11 HA GLU 11 0.117 -7.747 -3.055 76 HB2 GLU 11 HB2 GLU 11 -2.539 -6.703 -3.569 77 HB3 GLU 11 HB1 GLU 11 -1.305 -5.495 -3.872 78 HG2 GLU 11 HG2 GLU 11 -0.649 -8.092 -5.006 79 HG3 GLU 11 HG1 GLU 11 -2.176 -7.446 -5.611 80 H CYS 12 HN CYS 12 -1.795 -5.782 -0.881 81 HA CYS 12 HA CYS 12 0.356 -3.826 -0.674 82 HB2 CYS 12 HB2 CYS 12 -2.543 -3.882 -0.067 83 HB3 CYS 12 HB1 CYS 12 -1.541 -2.805 0.916 84 H THR 13 HN THR 13 1.896 -4.328 0.698 85 HA THR 13 HA THR 13 1.134 -5.484 3.301 86 HB THR 13 HB THR 13 3.532 -6.407 3.267 87 HG1 THR 13 HG1 THR 13 4.647 -6.279 1.478 88 HG21 THR 13 HG21 THR 13 1.846 -7.527 1.044 89 HG22 THR 13 HG22 THR 13 1.437 -7.753 2.748 90 HG23 THR 13 HG23 THR 13 2.963 -8.373 2.119 91 H GLN 14 HN GLN 14 2.060 -4.599 5.145 92 HA GLN 14 HA GLN 14 2.653 -1.911 5.218 93 HB2 GLN 14 HB2 GLN 14 3.474 -4.148 7.067 94 HB3 GLN 14 HB1 GLN 14 3.859 -2.467 7.410 95 HG2 GLN 14 HG2 GLN 14 1.904 -2.868 8.605 96 HG3 GLN 14 HG1 GLN 14 1.362 -2.021 7.157 97 HE21 GLN 14 HE21 GLN 14 0.108 -3.091 5.656 98 HE22 GLN 14 HE22 GLN 14 -0.576 -4.650 5.947 99 H PHE 15 HN PHE 15 4.683 -4.593 4.438 100 HA PHE 15 HA PHE 15 7.218 -3.421 4.669 101 HB2 PHE 15 HB2 PHE 15 6.020 -5.784 3.427 102 HB3 PHE 15 HB1 PHE 15 7.415 -5.184 2.550 103 HD1 PHE 15 HD2 PHE 15 9.579 -4.874 3.819 104 HD2 PHE 15 HD1 PHE 15 6.262 -7.024 5.393 105 HE1 PHE 15 HE2 PHE 15 11.068 -5.973 5.435 106 HE2 PHE 15 HE1 PHE 15 7.745 -8.130 7.017 107 HZ PHE 15 HZ PHE 15 10.152 -7.605 7.039 108 H ARG 16 HN ARG 16 4.843 -3.439 2.064 109 HA ARG 16 HA ARG 16 6.357 -2.331 0.019 110 HB2 ARG 16 HB2 ARG 16 3.423 -1.897 0.601 111 HB3 ARG 16 HB1 ARG 16 4.212 -1.584 -0.932 112 HG2 ARG 16 HG2 ARG 16 4.134 -4.276 0.369 113 HG3 ARG 16 HG1 ARG 16 2.944 -3.719 -0.807 114 HD2 ARG 16 HD2 ARG 16 4.355 -4.718 -2.267 115 HD3 ARG 16 HD1 ARG 16 5.201 -3.176 -2.152 116 HE ARG 16 HE ARG 16 6.912 -4.229 -1.046 117 HH11 ARG 16 HH11 ARG 16 4.143 -6.350 -1.149 118 HH12 ARG 16 HH12 ARG 16 5.013 -7.720 -0.546 119 HH21 ARG 16 HH21 ARG 16 8.058 -6.030 -0.251 120 HH22 ARG 16 HH22 ARG 16 7.235 -7.539 -0.035 121 H CYS 17 HN CYS 17 4.432 -0.629 2.492 122 HA CYS 17 HA CYS 17 5.144 1.940 1.524 123 HB2 CYS 17 HB2 CYS 17 3.872 0.929 4.028 124 HB3 CYS 17 HB1 CYS 17 4.436 2.593 3.950 125 H ARG 18 HN ARG 18 6.725 -0.335 3.530 126 HA ARG 18 HA ARG 18 8.412 1.375 4.995 127 HB2 ARG 18 HB2 ARG 18 8.069 -1.397 4.706 128 HB3 ARG 18 HB1 ARG 18 9.753 -1.070 4.260 129 HG2 ARG 18 HG2 ARG 18 9.232 0.407 6.607 130 HG3 ARG 18 HG1 ARG 18 8.535 -1.194 6.861 131 HD2 ARG 18 HD2 ARG 18 10.848 -1.958 5.822 132 HD3 ARG 18 HD1 ARG 18 11.366 -0.389 6.439 133 HE ARG 18 HE ARG 18 9.937 -1.998 8.354 134 HH11 ARG 18 HH11 ARG 18 13.063 -1.248 6.992 135 HH12 ARG 18 HH12 ARG 18 13.938 -1.795 8.382 136 HH21 ARG 18 HH21 ARG 18 11.087 -2.718 10.182 137 HH22 ARG 18 HH22 ARG 18 12.817 -2.631 10.193 138 H THR 19 HN THR 19 8.904 -0.414 2.058 139 HA THR 19 HA THR 19 11.288 1.189 1.493 140 HB THR 19 HB THR 19 11.813 -1.036 2.005 141 HG1 THR 19 HG1 THR 19 13.083 -1.108 0.335 142 HG21 THR 19 HG21 THR 19 9.680 -1.885 0.076 143 HG22 THR 19 HG22 THR 19 9.696 -2.078 1.832 144 HG23 THR 19 HG23 THR 19 10.855 -2.965 0.833 145 H SER 20 HN SER 20 8.299 -0.040 0.097 146 HA SER 20 HA SER 20 8.982 1.124 -2.503 147 HB2 SER 20 HB2 SER 20 7.066 -0.936 -1.564 148 HB3 SER 20 HB1 SER 20 6.548 0.053 -2.929 149 HG SER 20 HG SER 20 7.660 -1.727 -3.708 150 H MET 21 HN MET 21 8.403 3.135 -2.945 151 HA MET 21 HA MET 21 6.508 4.554 -1.314 152 HB2 MET 21 HB2 MET 21 8.501 5.209 -3.366 153 HB3 MET 21 HB1 MET 21 7.069 6.228 -3.413 154 HG2 MET 21 HG2 MET 21 7.985 7.448 -1.816 155 HG3 MET 21 HG1 MET 21 7.742 6.089 -0.723 156 HE1 MET 21 HE1 MET 21 10.309 7.416 -3.496 157 HE2 MET 21 HE2 MET 21 11.653 7.682 -2.386 158 HE3 MET 21 HE3 MET 21 10.122 8.520 -2.133 159 H LYS 22 HN LYS 22 6.535 3.215 -4.569 160 HA LYS 22 HA LYS 22 4.275 4.474 -5.601 161 HB2 LYS 22 HB2 LYS 22 5.794 3.201 -6.997 162 HB3 LYS 22 HB1 LYS 22 5.363 1.714 -6.165 163 HG2 LYS 22 HG2 LYS 22 2.981 2.165 -6.979 164 HG3 LYS 22 HG1 LYS 22 3.718 3.337 -8.073 165 HD2 LYS 22 HD2 LYS 22 4.960 0.659 -7.996 166 HD3 LYS 22 HD1 LYS 22 3.342 0.746 -8.694 167 HE2 LYS 22 HE2 LYS 22 4.174 1.574 -10.580 168 HE3 LYS 22 HE1 LYS 22 4.898 2.918 -9.698 169 HZ1 LYS 22 HZ1 LYS 22 6.693 1.144 -9.132 170 HZ2 LYS 22 HZ2 LYS 22 6.728 1.936 -10.626 171 HZ3 LYS 22 HZ3 LYS 22 6.104 0.368 -10.515 172 H TYR 23 HN TYR 23 4.464 1.291 -4.017 173 HA TYR 23 HA TYR 23 1.788 0.601 -4.146 174 HB2 TYR 23 HB2 TYR 23 3.975 -0.083 -2.216 175 HB3 TYR 23 HB1 TYR 23 2.343 -0.692 -1.968 176 HD1 TYR 23 HD1 TYR 23 4.373 -0.258 -5.064 177 HD2 TYR 23 HD2 TYR 23 2.346 -2.934 -2.462 178 HE1 TYR 23 HE1 TYR 23 4.845 -2.113 -6.615 179 HE2 TYR 23 HE2 TYR 23 2.810 -4.794 -3.990 180 HH TYR 23 HH TYR 23 4.657 -5.266 -5.816 181 H ARG 24 HN ARG 24 3.343 2.867 -2.056 182 HA ARG 24 HA ARG 24 1.325 2.897 -0.032 183 HB2 ARG 24 HB2 ARG 24 3.027 5.291 -0.432 184 HB3 ARG 24 HB1 ARG 24 2.616 4.443 1.048 185 HG2 ARG 24 HG2 ARG 24 4.155 2.605 0.268 186 HG3 ARG 24 HG1 ARG 24 4.695 3.717 -0.987 187 HD2 ARG 24 HD2 ARG 24 5.270 5.356 0.785 188 HD3 ARG 24 HD1 ARG 24 4.867 4.135 1.991 189 HE ARG 24 HE ARG 24 6.670 2.808 0.600 190 HH11 ARG 24 HH11 ARG 24 6.730 6.140 1.670 191 HH12 ARG 24 HH12 ARG 24 8.457 6.211 1.747 192 HH21 ARG 24 HH21 ARG 24 8.941 2.912 0.711 193 HH22 ARG 24 HH22 ARG 24 9.711 4.382 1.205 194 H LEU 25 HN LEU 25 2.211 5.401 -2.398 195 HA LEU 25 HA LEU 25 -0.393 6.647 -2.015 196 HB2 LEU 25 HB2 LEU 25 1.829 7.617 -3.786 197 HB3 LEU 25 HB1 LEU 25 0.528 8.552 -3.066 198 HG LEU 25 HG LEU 25 2.261 9.184 -1.711 199 HD11 LEU 25 HD11 LEU 25 1.955 6.772 -0.052 200 HD12 LEU 25 HD12 LEU 25 0.452 7.580 -0.499 201 HD13 LEU 25 HD13 LEU 25 1.713 8.472 0.350 202 HD21 LEU 25 HD21 LEU 25 3.498 6.813 -2.739 203 HD22 LEU 25 HD22 LEU 25 3.766 6.927 -0.999 204 HD23 LEU 25 HD23 LEU 25 4.242 8.256 -2.055 205 H ASN 26 HN ASN 26 1.505 5.161 -4.579 206 HA ASN 26 HA ASN 26 -0.308 5.798 -6.662 207 HB2 ASN 26 HB2 ASN 26 2.216 5.078 -6.671 208 HB3 ASN 26 HB1 ASN 26 1.534 3.462 -6.852 209 HD21 ASN 26 HD21 ASN 26 3.101 5.160 -8.700 210 HD22 ASN 26 HD22 ASN 26 2.153 5.261 -10.141 211 H LEU 27 HN LEU 27 0.059 2.933 -4.598 212 HA LEU 27 HA LEU 27 -2.212 1.712 -5.994 213 HB2 LEU 27 HB2 LEU 27 -0.058 0.636 -4.230 214 HB3 LEU 27 HB1 LEU 27 -1.576 -0.230 -4.337 215 HG LEU 27 HG LEU 27 -1.282 -0.350 -6.807 216 HD11 LEU 27 HD11 LEU 27 1.486 0.675 -6.206 217 HD12 LEU 27 HD12 LEU 27 0.219 1.581 -7.033 218 HD13 LEU 27 HD13 LEU 27 0.884 0.122 -7.769 219 HD21 LEU 27 HD21 LEU 27 0.156 -2.205 -6.731 220 HD22 LEU 27 HD22 LEU 27 -0.578 -2.123 -5.130 221 HD23 LEU 27 HD23 LEU 27 1.071 -1.545 -5.375 222 H CYS 28 HN CYS 28 -1.932 0.537 -2.805 223 HA CYS 28 HA CYS 28 -4.450 1.804 -2.103 224 HB2 CYS 28 HB2 CYS 28 -4.402 0.275 -0.213 225 HB3 CYS 28 HB1 CYS 28 -4.035 -0.603 -1.701 226 H LYS 29 HN LYS 29 -4.764 3.079 -0.298 227 HA LYS 29 HA LYS 29 -2.489 4.655 0.506 228 HB2 LYS 29 HB2 LYS 29 -5.442 4.866 1.052 229 HB3 LYS 29 HB1 LYS 29 -4.262 5.920 1.826 230 HG2 LYS 29 HG2 LYS 29 -4.121 5.688 -1.121 231 HG3 LYS 29 HG1 LYS 29 -5.502 6.558 -0.443 232 HD2 LYS 29 HD2 LYS 29 -2.884 7.241 0.719 233 HD3 LYS 29 HD1 LYS 29 -3.099 7.689 -0.974 234 HE2 LYS 29 HE2 LYS 29 -5.293 8.744 -0.268 235 HE3 LYS 29 HE1 LYS 29 -4.753 8.523 1.396 236 HZ1 LYS 29 HZ1 LYS 29 -3.586 10.245 -0.701 237 HZ2 LYS 29 HZ2 LYS 29 -2.682 9.778 0.650 238 HZ3 LYS 29 HZ3 LYS 29 -4.103 10.674 0.852 239 H LYS 30 HN LYS 30 -5.048 2.899 2.239 240 HA LYS 30 HA LYS 30 -3.537 2.981 4.682 241 HB2 LYS 30 HB2 LYS 30 -5.908 3.242 4.817 242 HB3 LYS 30 HB1 LYS 30 -6.175 1.721 3.975 243 HG2 LYS 30 HG2 LYS 30 -6.565 1.179 6.191 244 HG3 LYS 30 HG1 LYS 30 -4.898 0.657 5.931 245 HD2 LYS 30 HD2 LYS 30 -4.034 2.280 7.258 246 HD3 LYS 30 HD1 LYS 30 -5.310 3.433 6.865 247 HE2 LYS 30 HE2 LYS 30 -5.362 2.652 9.223 248 HE3 LYS 30 HE1 LYS 30 -6.848 2.322 8.334 249 HZ1 LYS 30 HZ1 LYS 30 -5.572 0.504 9.793 250 HZ2 LYS 30 HZ2 LYS 30 -4.854 0.212 8.290 251 HZ3 LYS 30 HZ3 LYS 30 -6.534 0.112 8.457 252 H THR 31 HN THR 31 -4.795 0.263 2.712 253 HA THR 31 HA THR 31 -3.836 -1.798 4.210 254 HB THR 31 HB THR 31 -3.915 -1.720 1.198 255 HG1 THR 31 HG1 THR 31 -5.997 -2.698 1.608 256 HG21 THR 31 HG21 THR 31 -2.700 -3.658 2.296 257 HG22 THR 31 HG22 THR 31 -4.030 -4.048 1.202 258 HG23 THR 31 HG23 THR 31 -4.272 -4.118 2.946 259 H CYS 32 HN CYS 32 -1.952 0.259 2.132 260 HA CYS 32 HA CYS 32 0.340 -1.493 2.118 261 HB2 CYS 32 HB2 CYS 32 0.228 -0.012 0.274 262 HB3 CYS 32 HB1 CYS 32 -0.015 1.392 1.306 263 H GLY 33 HN GLY 33 -1.015 0.580 4.378 264 HA2 GLY 33 HA2 GLY 33 -0.330 0.821 6.598 265 HA3 GLY 33 HA1 GLY 33 1.246 0.189 6.156 266 H THR 34 HN THR 34 -0.607 2.999 4.959 267 HA THR 34 HA THR 34 1.498 4.744 6.016 268 HB THR 34 HB THR 34 2.217 4.520 3.777 269 HG1 THR 34 HG1 THR 34 1.883 6.724 4.587 270 HG21 THR 34 HG21 THR 34 0.094 3.529 2.895 271 HG22 THR 34 HG22 THR 34 0.900 4.682 1.833 272 HG23 THR 34 HG23 THR 34 -0.518 5.177 2.753 273 H CYS 35 HN CYS 35 -1.767 4.422 4.726 274 HA CYS 35 HA CYS 35 -2.641 7.044 5.051 275 HB2 CYS 35 HB2 CYS 35 -3.918 5.192 3.942 276 HB3 CYS 35 HB1 CYS 35 -4.316 4.579 5.544 Start of MODEL 12 1 H1 ALA 2 HT1 ALA 2 -10.041 8.541 5.995 2 H2 ALA 2 HT2 ALA 2 -11.597 8.508 6.718 3 H3 ALA 2 HT3 ALA 2 -11.418 9.001 5.084 4 HA ALA 2 HA ALA 2 -10.812 6.327 6.148 5 HB1 ALA 2 HB1 ALA 2 -13.117 7.150 4.396 6 HB2 ALA 2 HB2 ALA 2 -13.236 6.977 6.147 7 HB3 ALA 2 HB3 ALA 2 -12.835 5.580 5.148 8 H CYS 3 HN CYS 3 -9.249 5.461 4.964 9 HA CYS 3 HA CYS 3 -8.882 6.341 2.195 10 HB2 CYS 3 HB2 CYS 3 -7.041 4.570 3.803 11 HB3 CYS 3 HB1 CYS 3 -6.671 5.451 2.327 12 H LYS 4 HN LYS 4 -7.972 4.490 0.741 13 HA LYS 4 HA LYS 4 -9.417 1.983 1.193 14 HB2 LYS 4 HB2 LYS 4 -9.644 3.699 -1.283 15 HB3 LYS 4 HB1 LYS 4 -10.162 2.020 -1.210 16 HG2 LYS 4 HG2 LYS 4 -11.221 3.974 0.779 17 HG3 LYS 4 HG1 LYS 4 -11.880 3.941 -0.858 18 HD2 LYS 4 HD2 LYS 4 -11.903 1.307 -0.277 19 HD3 LYS 4 HD1 LYS 4 -12.140 1.985 1.335 20 HE2 LYS 4 HE2 LYS 4 -14.043 3.273 0.525 21 HE3 LYS 4 HE1 LYS 4 -13.794 2.640 -1.101 22 HZ1 LYS 4 HZ1 LYS 4 -15.312 1.146 -0.425 23 HZ2 LYS 4 HZ2 LYS 4 -14.985 1.368 1.220 24 HZ3 LYS 4 HZ3 LYS 4 -13.981 0.379 0.285 25 H ASP 5 HN ASP 5 -8.801 0.352 -0.594 26 HA ASP 5 HA ASP 5 -5.953 0.678 -1.209 27 HB2 ASP 5 HB2 ASP 5 -5.653 -1.722 -0.805 28 HB3 ASP 5 HB1 ASP 5 -6.265 -0.904 0.628 29 H TYR 6 HN TYR 6 -5.331 0.329 -3.204 30 HA TYR 6 HA TYR 6 -7.264 -0.174 -5.256 31 HB2 TYR 6 HB2 TYR 6 -4.739 1.050 -5.104 32 HB3 TYR 6 HB1 TYR 6 -4.529 -0.321 -6.188 33 HD1 TYR 6 HD2 TYR 6 -7.225 2.215 -5.612 34 HD2 TYR 6 HD1 TYR 6 -4.663 0.280 -8.404 35 HE1 TYR 6 HE2 TYR 6 -8.240 3.515 -7.436 36 HE2 TYR 6 HE1 TYR 6 -5.670 1.575 -10.235 37 HH TYR 6 HH TYR 6 -6.990 4.062 -10.222 38 H LEU 7 HN LEU 7 -5.391 -2.190 -3.293 39 HA LEU 7 HA LEU 7 -5.949 -4.458 -5.058 40 HB2 LEU 7 HB2 LEU 7 -3.276 -3.602 -4.059 41 HB3 LEU 7 HB1 LEU 7 -3.598 -5.299 -4.178 42 HG LEU 7 HG LEU 7 -4.203 -3.628 -6.550 43 HD11 LEU 7 HD11 LEU 7 -1.666 -4.349 -7.090 44 HD12 LEU 7 HD12 LEU 7 -1.536 -3.991 -5.369 45 HD13 LEU 7 HD13 LEU 7 -2.129 -2.759 -6.484 46 HD21 LEU 7 HD21 LEU 7 -2.941 -5.859 -7.409 47 HD22 LEU 7 HD22 LEU 7 -4.683 -5.731 -7.165 48 HD23 LEU 7 HD23 LEU 7 -3.668 -6.441 -5.913 49 HA PRO 8 HA PRO 8 -6.876 -6.512 -1.267 50 HB2 PRO 8 HB2 PRO 8 -6.176 -9.045 -1.599 51 HB3 PRO 8 HB1 PRO 8 -7.382 -8.296 -2.655 52 HG2 PRO 8 HG2 PRO 8 -4.503 -8.849 -3.149 53 HG3 PRO 8 HG1 PRO 8 -5.885 -9.035 -4.241 54 HD2 PRO 8 HD2 PRO 8 -4.141 -6.881 -4.204 55 HD3 PRO 8 HD1 PRO 8 -5.739 -6.841 -4.939 56 H LYS 9 HN LYS 9 -6.112 -7.752 0.559 57 HA LYS 9 HA LYS 9 -3.912 -6.626 1.790 58 HB2 LYS 9 HB2 LYS 9 -5.034 -9.349 2.447 59 HB3 LYS 9 HB1 LYS 9 -4.187 -8.257 3.535 60 HG2 LYS 9 HG2 LYS 9 -6.511 -7.005 2.343 61 HG3 LYS 9 HG1 LYS 9 -6.924 -8.483 3.215 62 HD2 LYS 9 HD2 LYS 9 -5.942 -7.663 5.226 63 HD3 LYS 9 HD1 LYS 9 -5.220 -6.290 4.384 64 HE2 LYS 9 HE2 LYS 9 -7.151 -5.112 4.371 65 HE3 LYS 9 HE1 LYS 9 -8.151 -6.549 4.166 66 HZ1 LYS 9 HZ1 LYS 9 -8.684 -6.161 6.293 67 HZ2 LYS 9 HZ2 LYS 9 -7.317 -5.210 6.589 68 HZ3 LYS 9 HZ3 LYS 9 -7.202 -6.896 6.647 69 H SER 10 HN SER 10 -3.981 -9.259 -0.441 70 HA SER 10 HA SER 10 -1.464 -10.381 0.369 71 HB2 SER 10 HB2 SER 10 -3.559 -11.369 -1.037 72 HB3 SER 10 HB1 SER 10 -2.459 -10.959 -2.353 73 HG SER 10 HG SER 10 -1.449 -12.723 -1.863 74 H GLU 11 HN GLU 11 -2.409 -7.758 -1.670 75 HA GLU 11 HA GLU 11 0.151 -7.806 -3.095 76 HB2 GLU 11 HB2 GLU 11 -2.518 -6.768 -3.578 77 HB3 GLU 11 HB1 GLU 11 -1.283 -5.570 -3.914 78 HG2 GLU 11 HG2 GLU 11 -0.623 -8.163 -5.030 79 HG3 GLU 11 HG1 GLU 11 -2.187 -7.574 -5.599 80 H CYS 12 HN CYS 12 -1.743 -5.851 -0.895 81 HA CYS 12 HA CYS 12 0.422 -3.904 -0.715 82 HB2 CYS 12 HB2 CYS 12 -2.477 -3.913 -0.137 83 HB3 CYS 12 HB1 CYS 12 -1.476 -2.872 0.886 84 H THR 13 HN THR 13 1.948 -4.379 0.660 85 HA THR 13 HA THR 13 1.201 -5.550 3.259 86 HB THR 13 HB THR 13 3.617 -6.448 3.201 87 HG1 THR 13 HG1 THR 13 3.300 -6.018 0.424 88 HG21 THR 13 HG21 THR 13 1.900 -7.595 1.015 89 HG22 THR 13 HG22 THR 13 1.522 -7.813 2.728 90 HG23 THR 13 HG23 THR 13 3.042 -8.426 2.077 91 H GLN 14 HN GLN 14 2.142 -4.674 5.104 92 HA GLN 14 HA GLN 14 2.703 -1.983 5.197 93 HB2 GLN 14 HB2 GLN 14 3.571 -4.228 7.012 94 HB3 GLN 14 HB1 GLN 14 3.945 -2.547 7.369 95 HG2 GLN 14 HG2 GLN 14 2.008 -2.980 8.583 96 HG3 GLN 14 HG1 GLN 14 1.442 -2.120 7.152 97 HE21 GLN 14 HE21 GLN 14 0.194 -3.190 5.639 98 HE22 GLN 14 HE22 GLN 14 -0.479 -4.755 5.922 99 H PHE 15 HN PHE 15 4.762 -4.628 4.372 100 HA PHE 15 HA PHE 15 7.285 -3.434 4.587 101 HB2 PHE 15 HB2 PHE 15 6.095 -5.788 3.326 102 HB3 PHE 15 HB1 PHE 15 7.470 -5.161 2.435 103 HD1 PHE 15 HD2 PHE 15 9.648 -4.840 3.678 104 HD2 PHE 15 HD1 PHE 15 6.382 -7.058 5.264 105 HE1 PHE 15 HE2 PHE 15 11.175 -5.947 5.251 106 HE2 PHE 15 HE1 PHE 15 7.904 -8.174 6.846 107 HZ PHE 15 HZ PHE 15 10.305 -7.619 6.840 108 H ARG 16 HN ARG 16 4.863 -3.386 2.040 109 HA ARG 16 HA ARG 16 6.366 -2.256 -0.013 110 HB2 ARG 16 HB2 ARG 16 3.435 -1.795 0.557 111 HB3 ARG 16 HB1 ARG 16 4.237 -1.583 -0.984 112 HG2 ARG 16 HG2 ARG 16 4.060 -4.195 0.461 113 HG3 ARG 16 HG1 ARG 16 2.927 -3.670 -0.783 114 HD2 ARG 16 HD2 ARG 16 4.321 -4.706 -2.201 115 HD3 ARG 16 HD1 ARG 16 5.331 -3.274 -2.008 116 HE ARG 16 HE ARG 16 6.155 -4.833 0.018 117 HH11 ARG 16 HH11 ARG 16 5.694 -5.477 -3.382 118 HH12 ARG 16 HH12 ARG 16 6.931 -6.686 -3.448 119 HH21 ARG 16 HH21 ARG 16 7.782 -6.423 -0.069 120 HH22 ARG 16 HH22 ARG 16 8.116 -7.224 -1.568 121 H CYS 17 HN CYS 17 4.458 -0.614 2.515 122 HA CYS 17 HA CYS 17 5.127 1.977 1.567 123 HB2 CYS 17 HB2 CYS 17 3.892 0.925 4.072 124 HB3 CYS 17 HB1 CYS 17 4.440 2.595 4.008 125 H ARG 18 HN ARG 18 6.741 -0.303 3.552 126 HA ARG 18 HA ARG 18 8.425 1.388 5.028 127 HB2 ARG 18 HB2 ARG 18 8.121 -1.373 4.680 128 HB3 ARG 18 HB1 ARG 18 9.787 -1.019 4.186 129 HG2 ARG 18 HG2 ARG 18 8.551 -0.210 6.827 130 HG3 ARG 18 HG1 ARG 18 9.561 -1.636 6.574 131 HD2 ARG 18 HD2 ARG 18 11.471 -0.386 6.234 132 HD3 ARG 18 HD1 ARG 18 10.571 1.047 5.742 133 HE ARG 18 HE ARG 18 10.546 1.707 7.922 134 HH11 ARG 18 HH11 ARG 18 11.136 -1.731 7.829 135 HH12 ARG 18 HH12 ARG 18 11.395 -1.859 9.537 136 HH21 ARG 18 HH21 ARG 18 10.886 1.541 10.168 137 HH22 ARG 18 HH22 ARG 18 11.253 -0.002 10.864 138 H THR 19 HN THR 19 8.925 -0.304 2.032 139 HA THR 19 HA THR 19 11.275 1.360 1.507 140 HB THR 19 HB THR 19 11.852 -0.864 1.946 141 HG1 THR 19 HG1 THR 19 13.100 -0.521 0.253 142 HG21 THR 19 HG21 THR 19 9.716 -1.708 0.019 143 HG22 THR 19 HG22 THR 19 9.757 -1.949 1.770 144 HG23 THR 19 HG23 THR 19 10.922 -2.782 0.733 145 H SER 20 HN SER 20 8.303 0.125 0.074 146 HA SER 20 HA SER 20 8.974 1.427 -2.470 147 HB2 SER 20 HB2 SER 20 7.990 -1.012 -2.150 148 HB3 SER 20 HB1 SER 20 6.458 -0.140 -2.120 149 HG SER 20 HG SER 20 7.194 -0.843 -4.241 150 H MET 21 HN MET 21 8.249 3.398 -2.877 151 HA MET 21 HA MET 21 6.253 4.637 -1.215 152 HB2 MET 21 HB2 MET 21 8.205 5.496 -3.229 153 HB3 MET 21 HB1 MET 21 6.702 6.406 -3.262 154 HG2 MET 21 HG2 MET 21 8.248 5.964 -0.732 155 HG3 MET 21 HG1 MET 21 8.578 7.310 -1.821 156 HE1 MET 21 HE1 MET 21 7.519 9.101 -2.211 157 HE2 MET 21 HE2 MET 21 6.910 9.911 -0.768 158 HE3 MET 21 HE3 MET 21 5.792 9.415 -2.038 159 H LYS 22 HN LYS 22 6.422 3.473 -4.542 160 HA LYS 22 HA LYS 22 4.099 4.556 -5.573 161 HB2 LYS 22 HB2 LYS 22 5.978 2.950 -6.572 162 HB3 LYS 22 HB1 LYS 22 4.734 1.741 -6.288 163 HG2 LYS 22 HG2 LYS 22 3.687 4.107 -7.600 164 HG3 LYS 22 HG1 LYS 22 4.989 3.345 -8.516 165 HD2 LYS 22 HD2 LYS 22 2.881 1.588 -7.378 166 HD3 LYS 22 HD1 LYS 22 2.455 2.589 -8.767 167 HE2 LYS 22 HE2 LYS 22 5.021 1.234 -9.064 168 HE3 LYS 22 HE1 LYS 22 3.668 0.121 -8.864 169 HZ1 LYS 22 HZ1 LYS 22 3.994 0.594 -11.181 170 HZ2 LYS 22 HZ2 LYS 22 3.902 2.261 -10.910 171 HZ3 LYS 22 HZ3 LYS 22 2.534 1.291 -10.685 172 H TYR 23 HN TYR 23 4.429 1.378 -3.997 173 HA TYR 23 HA TYR 23 1.782 0.577 -4.137 174 HB2 TYR 23 HB2 TYR 23 3.995 -0.028 -2.211 175 HB3 TYR 23 HB1 TYR 23 2.388 -0.698 -1.959 176 HD1 TYR 23 HD1 TYR 23 4.408 -0.186 -5.049 177 HD2 TYR 23 HD2 TYR 23 2.455 -2.935 -2.469 178 HE1 TYR 23 HE1 TYR 23 4.940 -2.018 -6.609 179 HE2 TYR 23 HE2 TYR 23 2.978 -4.773 -4.005 180 HH TYR 23 HH TYR 23 5.235 -4.673 -6.297 181 H ARG 24 HN ARG 24 3.252 2.890 -2.037 182 HA ARG 24 HA ARG 24 1.206 2.850 -0.034 183 HB2 ARG 24 HB2 ARG 24 2.895 5.265 -0.378 184 HB3 ARG 24 HB1 ARG 24 2.446 4.412 1.088 185 HG2 ARG 24 HG2 ARG 24 4.026 2.602 0.410 186 HG3 ARG 24 HG1 ARG 24 4.561 3.646 -0.903 187 HD2 ARG 24 HD2 ARG 24 5.099 5.388 0.799 188 HD3 ARG 24 HD1 ARG 24 4.745 4.199 2.051 189 HE ARG 24 HE ARG 24 6.569 2.879 0.663 190 HH11 ARG 24 HH11 ARG 24 6.546 6.232 1.667 191 HH12 ARG 24 HH12 ARG 24 8.271 6.349 1.739 192 HH21 ARG 24 HH21 ARG 24 8.837 3.043 0.767 193 HH22 ARG 24 HH22 ARG 24 9.570 4.542 1.230 194 H LEU 25 HN LEU 25 2.104 5.388 -2.360 195 HA LEU 25 HA LEU 25 -0.514 6.610 -2.002 196 HB2 LEU 25 HB2 LEU 25 1.715 7.605 -3.750 197 HB3 LEU 25 HB1 LEU 25 0.404 8.527 -3.031 198 HG LEU 25 HG LEU 25 2.130 9.163 -1.667 199 HD11 LEU 25 HD11 LEU 25 1.552 8.457 0.382 200 HD12 LEU 25 HD12 LEU 25 1.843 6.761 -0.002 201 HD13 LEU 25 HD13 LEU 25 0.325 7.525 -0.474 202 HD21 LEU 25 HD21 LEU 25 3.630 6.892 -0.961 203 HD22 LEU 25 HD22 LEU 25 4.120 8.245 -1.979 204 HD23 LEU 25 HD23 LEU 25 3.389 6.817 -2.707 205 H ASN 26 HN ASN 26 1.421 5.144 -4.549 206 HA ASN 26 HA ASN 26 -0.373 5.773 -6.652 207 HB2 ASN 26 HB2 ASN 26 2.155 5.090 -6.643 208 HB3 ASN 26 HB1 ASN 26 1.504 3.460 -6.817 209 HD21 ASN 26 HD21 ASN 26 2.869 5.692 -8.559 210 HD22 ASN 26 HD22 ASN 26 2.007 5.563 -10.050 211 H LEU 27 HN LEU 27 -0.008 2.894 -4.599 212 HA LEU 27 HA LEU 27 -2.249 1.667 -6.041 213 HB2 LEU 27 HB2 LEU 27 -0.067 0.592 -4.326 214 HB3 LEU 27 HB1 LEU 27 -1.586 -0.280 -4.366 215 HG LEU 27 HG LEU 27 -1.388 -0.417 -6.846 216 HD11 LEU 27 HD11 LEU 27 1.359 0.702 -6.319 217 HD12 LEU 27 HD12 LEU 27 0.064 1.479 -7.231 218 HD13 LEU 27 HD13 LEU 27 0.813 0.005 -7.844 219 HD21 LEU 27 HD21 LEU 27 1.029 -1.599 -5.518 220 HD22 LEU 27 HD22 LEU 27 0.036 -2.275 -6.809 221 HD23 LEU 27 HD23 LEU 27 -0.603 -2.168 -5.168 222 H CYS 28 HN CYS 28 -1.905 0.506 -2.827 223 HA CYS 28 HA CYS 28 -4.485 1.661 -2.139 224 HB2 CYS 28 HB2 CYS 28 -4.403 0.116 -0.268 225 HB3 CYS 28 HB1 CYS 28 -3.968 -0.736 -1.753 226 H LYS 29 HN LYS 29 -4.852 2.912 -0.335 227 HA LYS 29 HA LYS 29 -2.649 4.576 0.488 228 HB2 LYS 29 HB2 LYS 29 -5.604 4.644 1.058 229 HB3 LYS 29 HB1 LYS 29 -4.467 5.786 1.764 230 HG2 LYS 29 HG2 LYS 29 -4.185 5.564 -1.122 231 HG3 LYS 29 HG1 LYS 29 -5.802 6.073 -0.628 232 HD2 LYS 29 HD2 LYS 29 -4.953 8.135 -0.478 233 HD3 LYS 29 HD1 LYS 29 -4.144 7.576 0.987 234 HE2 LYS 29 HE2 LYS 29 -2.235 8.124 -0.030 235 HE3 LYS 29 HE1 LYS 29 -2.485 6.691 -1.027 236 HZ1 LYS 29 HZ1 LYS 29 -2.092 8.552 -2.444 237 HZ2 LYS 29 HZ2 LYS 29 -3.283 9.475 -1.676 238 HZ3 LYS 29 HZ3 LYS 29 -3.723 8.127 -2.598 239 H LYS 30 HN LYS 30 -5.146 2.729 2.207 240 HA LYS 30 HA LYS 30 -3.663 2.846 4.663 241 HB2 LYS 30 HB2 LYS 30 -6.012 3.048 4.843 242 HB3 LYS 30 HB1 LYS 30 -6.280 1.598 3.886 243 HG2 LYS 30 HG2 LYS 30 -6.716 0.928 6.069 244 HG3 LYS 30 HG1 LYS 30 -5.075 0.355 5.762 245 HD2 LYS 30 HD2 LYS 30 -4.999 1.323 7.899 246 HD3 LYS 30 HD1 LYS 30 -4.283 2.521 6.820 247 HE2 LYS 30 HE2 LYS 30 -5.725 3.754 8.194 248 HE3 LYS 30 HE1 LYS 30 -6.619 3.543 6.689 249 HZ1 LYS 30 HZ1 LYS 30 -8.140 2.227 7.673 250 HZ2 LYS 30 HZ2 LYS 30 -7.649 3.032 9.077 251 HZ3 LYS 30 HZ3 LYS 30 -7.025 1.501 8.718 252 H THR 31 HN THR 31 -4.820 0.104 2.661 253 HA THR 31 HA THR 31 -3.826 -1.936 4.165 254 HB THR 31 HB THR 31 -3.834 -1.855 1.152 255 HG1 THR 31 HG1 THR 31 -5.904 -2.814 1.448 256 HG21 THR 31 HG21 THR 31 -4.169 -4.252 2.908 257 HG22 THR 31 HG22 THR 31 -2.602 -3.760 2.269 258 HG23 THR 31 HG23 THR 31 -3.913 -4.191 1.166 259 H CYS 32 HN CYS 32 -1.977 0.179 2.112 260 HA CYS 32 HA CYS 32 0.375 -1.483 2.131 261 HB2 CYS 32 HB2 CYS 32 0.206 0.052 0.314 262 HB3 CYS 32 HB1 CYS 32 -0.024 1.420 1.396 263 H GLY 33 HN GLY 33 -1.096 0.536 4.374 264 HA2 GLY 33 HA2 GLY 33 -0.479 0.764 6.617 265 HA3 GLY 33 HA1 GLY 33 1.128 0.190 6.210 266 H THR 34 HN THR 34 -0.740 2.946 4.916 267 HA THR 34 HA THR 34 1.282 4.734 6.073 268 HB THR 34 HB THR 34 1.997 4.507 3.816 269 HG1 THR 34 HG1 THR 34 0.473 6.883 3.931 270 HG21 THR 34 HG21 THR 34 -0.762 5.229 2.893 271 HG22 THR 34 HG22 THR 34 -0.056 3.613 2.823 272 HG23 THR 34 HG23 THR 34 0.650 4.926 1.881 273 H CYS 35 HN CYS 35 -1.989 4.283 4.899 274 HA CYS 35 HA CYS 35 -3.020 6.835 5.076 275 HB2 CYS 35 HB2 CYS 35 -4.411 5.043 4.287 276 HB3 CYS 35 HB1 CYS 35 -4.299 4.203 5.828 Start of MODEL 13 1 H1 ALA 2 HT1 ALA 2 -11.398 9.580 4.460 2 H2 ALA 2 HT2 ALA 2 -10.215 8.478 5.036 3 H3 ALA 2 HT3 ALA 2 -11.662 8.729 5.924 4 HA ALA 2 HA ALA 2 -12.041 6.766 4.895 5 HB1 ALA 2 HB1 ALA 2 -13.488 7.501 2.807 6 HB2 ALA 2 HB2 ALA 2 -13.212 9.105 3.488 7 HB3 ALA 2 HB3 ALA 2 -13.995 7.858 4.458 8 H CYS 3 HN CYS 3 -9.803 6.157 4.328 9 HA CYS 3 HA CYS 3 -9.227 6.412 1.459 10 HB2 CYS 3 HB2 CYS 3 -6.936 5.812 2.005 11 HB3 CYS 3 HB1 CYS 3 -7.456 7.151 3.022 12 H LYS 4 HN LYS 4 -8.596 4.560 0.249 13 HA LYS 4 HA LYS 4 -9.403 1.985 1.430 14 HB2 LYS 4 HB2 LYS 4 -10.376 3.328 -1.022 15 HB3 LYS 4 HB1 LYS 4 -10.043 1.609 -1.171 16 HG2 LYS 4 HG2 LYS 4 -11.603 2.374 1.197 17 HG3 LYS 4 HG1 LYS 4 -12.397 2.649 -0.355 18 HD2 LYS 4 HD2 LYS 4 -11.788 0.271 -0.949 19 HD3 LYS 4 HD1 LYS 4 -11.312 0.060 0.737 20 HE2 LYS 4 HE2 LYS 4 -13.443 -0.004 1.462 21 HE3 LYS 4 HE1 LYS 4 -13.970 1.246 0.336 22 HZ1 LYS 4 HZ1 LYS 4 -14.684 -1.290 0.114 23 HZ2 LYS 4 HZ2 LYS 4 -13.275 -1.333 -0.821 24 HZ3 LYS 4 HZ3 LYS 4 -14.524 -0.267 -1.224 25 H ASP 5 HN ASP 5 -8.808 0.260 -0.526 26 HA ASP 5 HA ASP 5 -5.967 0.729 -1.052 27 HB2 ASP 5 HB2 ASP 5 -5.607 -1.687 -0.685 28 HB3 ASP 5 HB1 ASP 5 -6.232 -0.874 0.747 29 H TYR 6 HN TYR 6 -5.236 0.381 -3.008 30 HA TYR 6 HA TYR 6 -7.013 -0.050 -5.184 31 HB2 TYR 6 HB2 TYR 6 -4.302 0.847 -4.800 32 HB3 TYR 6 HB1 TYR 6 -4.344 -0.359 -6.080 33 HD1 TYR 6 HD1 TYR 6 -6.852 2.242 -5.147 34 HD2 TYR 6 HD2 TYR 6 -4.116 0.808 -8.073 35 HE1 TYR 6 HE1 TYR 6 -7.655 3.948 -6.726 36 HE2 TYR 6 HE2 TYR 6 -4.910 2.510 -9.659 37 HH TYR 6 HH TYR 6 -6.652 5.159 -8.796 38 H LEU 7 HN LEU 7 -5.292 -2.165 -3.143 39 HA LEU 7 HA LEU 7 -5.991 -4.417 -4.860 40 HB2 LEU 7 HB2 LEU 7 -3.231 -3.651 -4.034 41 HB3 LEU 7 HB1 LEU 7 -3.620 -5.334 -4.178 42 HG LEU 7 HG LEU 7 -4.404 -3.679 -6.479 43 HD11 LEU 7 HD11 LEU 7 -2.405 -2.579 -6.317 44 HD12 LEU 7 HD12 LEU 7 -1.940 -3.985 -7.275 45 HD13 LEU 7 HD13 LEU 7 -1.595 -3.942 -5.547 46 HD21 LEU 7 HD21 LEU 7 -4.492 -5.692 -7.402 47 HD22 LEU 7 HD22 LEU 7 -3.948 -6.406 -5.886 48 HD23 LEU 7 HD23 LEU 7 -2.771 -5.925 -7.106 49 HA PRO 8 HA PRO 8 -6.704 -6.407 -0.984 50 HB2 PRO 8 HB2 PRO 8 -6.115 -8.967 -1.337 51 HB3 PRO 8 HB1 PRO 8 -7.372 -8.184 -2.305 52 HG2 PRO 8 HG2 PRO 8 -4.569 -8.862 -3.017 53 HG3 PRO 8 HG1 PRO 8 -6.038 -8.976 -4.000 54 HD2 PRO 8 HD2 PRO 8 -4.182 -6.908 -4.079 55 HD3 PRO 8 HD1 PRO 8 -5.813 -6.802 -4.730 56 H LYS 9 HN LYS 9 -5.859 -7.661 0.795 57 HA LYS 9 HA LYS 9 -3.562 -6.603 1.883 58 HB2 LYS 9 HB2 LYS 9 -4.605 -9.337 2.602 59 HB3 LYS 9 HB1 LYS 9 -3.768 -8.193 3.643 60 HG2 LYS 9 HG2 LYS 9 -6.089 -6.916 2.624 61 HG3 LYS 9 HG1 LYS 9 -6.554 -8.506 3.231 62 HD2 LYS 9 HD2 LYS 9 -5.191 -7.900 5.314 63 HD3 LYS 9 HD1 LYS 9 -5.234 -6.245 4.704 64 HE2 LYS 9 HE2 LYS 9 -7.080 -6.276 6.083 65 HE3 LYS 9 HE1 LYS 9 -7.798 -6.676 4.523 66 HZ1 LYS 9 HZ1 LYS 9 -8.581 -8.119 6.322 67 HZ2 LYS 9 HZ2 LYS 9 -7.001 -8.662 6.583 68 HZ3 LYS 9 HZ3 LYS 9 -7.777 -8.995 5.118 69 H SER 10 HN SER 10 -3.845 -9.267 -0.314 70 HA SER 10 HA SER 10 -1.306 -10.438 0.271 71 HB2 SER 10 HB2 SER 10 -2.689 -10.781 -2.367 72 HB3 SER 10 HB1 SER 10 -1.772 -11.959 -1.427 73 HG SER 10 HG SER 10 -4.390 -11.562 -1.438 74 H GLU 11 HN GLU 11 -2.350 -7.780 -1.698 75 HA GLU 11 HA GLU 11 0.177 -7.752 -3.181 76 HB2 GLU 11 HB2 GLU 11 -2.528 -6.732 -3.561 77 HB3 GLU 11 HB1 GLU 11 -1.300 -5.549 -3.963 78 HG2 GLU 11 HG2 GLU 11 -0.806 -8.213 -5.066 79 HG3 GLU 11 HG1 GLU 11 -2.299 -7.460 -5.635 80 H CYS 12 HN CYS 12 -1.716 -5.869 -0.917 81 HA CYS 12 HA CYS 12 0.409 -3.874 -0.743 82 HB2 CYS 12 HB2 CYS 12 -2.486 -3.951 -0.155 83 HB3 CYS 12 HB1 CYS 12 -1.507 -2.906 0.883 84 H THR 13 HN THR 13 1.963 -4.398 0.613 85 HA THR 13 HA THR 13 1.219 -5.570 3.214 86 HB THR 13 HB THR 13 3.613 -6.496 3.159 87 HG1 THR 13 HG1 THR 13 4.699 -5.713 1.549 88 HG21 THR 13 HG21 THR 13 1.514 -7.831 2.622 89 HG22 THR 13 HG22 THR 13 3.041 -8.447 1.992 90 HG23 THR 13 HG23 THR 13 1.928 -7.588 0.923 91 H GLN 14 HN GLN 14 2.193 -4.729 5.064 92 HA GLN 14 HA GLN 14 2.771 -2.041 5.190 93 HB2 GLN 14 HB2 GLN 14 4.034 -4.107 6.999 94 HB3 GLN 14 HB1 GLN 14 3.670 -2.430 7.385 95 HG2 GLN 14 HG2 GLN 14 1.733 -4.691 6.977 96 HG3 GLN 14 HG1 GLN 14 2.036 -3.771 8.450 97 HE21 GLN 14 HE21 GLN 14 0.276 -3.948 5.521 98 HE22 GLN 14 HE22 GLN 14 -0.624 -2.486 5.710 99 H PHE 15 HN PHE 15 4.799 -4.697 4.315 100 HA PHE 15 HA PHE 15 7.334 -3.533 4.492 101 HB2 PHE 15 HB2 PHE 15 6.092 -5.852 3.218 102 HB3 PHE 15 HB1 PHE 15 7.456 -5.227 2.309 103 HD1 PHE 15 HD2 PHE 15 9.664 -4.961 3.505 104 HD2 PHE 15 HD1 PHE 15 6.401 -7.148 5.139 105 HE1 PHE 15 HE2 PHE 15 11.209 -6.110 5.030 106 HE2 PHE 15 HE1 PHE 15 7.941 -8.305 6.673 107 HZ PHE 15 HZ PHE 15 10.349 -7.787 6.619 108 H ARG 16 HN ARG 16 4.901 -3.482 1.942 109 HA ARG 16 HA ARG 16 6.379 -2.305 -0.092 110 HB2 ARG 16 HB2 ARG 16 3.450 -1.853 0.497 111 HB3 ARG 16 HB1 ARG 16 4.247 -1.629 -1.046 112 HG2 ARG 16 HG2 ARG 16 4.004 -4.242 0.395 113 HG3 ARG 16 HG1 ARG 16 2.962 -3.707 -0.922 114 HD2 ARG 16 HD2 ARG 16 4.491 -4.226 -2.478 115 HD3 ARG 16 HD1 ARG 16 5.809 -3.524 -1.543 116 HE ARG 16 HE ARG 16 4.975 -5.978 -0.404 117 HH11 ARG 16 HH11 ARG 16 6.766 -4.672 -3.100 118 HH12 ARG 16 HH12 ARG 16 7.766 -6.075 -3.276 119 HH21 ARG 16 HH21 ARG 16 6.289 -7.824 -0.635 120 HH22 ARG 16 HH22 ARG 16 7.495 -7.864 -1.878 121 H CYS 17 HN CYS 17 4.471 -0.705 2.460 122 HA CYS 17 HA CYS 17 5.100 1.903 1.554 123 HB2 CYS 17 HB2 CYS 17 3.952 0.791 4.074 124 HB3 CYS 17 HB1 CYS 17 4.483 2.467 4.031 125 H ARG 18 HN ARG 18 6.797 -0.390 3.454 126 HA ARG 18 HA ARG 18 8.519 1.316 4.881 127 HB2 ARG 18 HB2 ARG 18 8.201 -1.451 4.559 128 HB3 ARG 18 HB1 ARG 18 9.856 -1.099 4.030 129 HG2 ARG 18 HG2 ARG 18 9.270 0.293 6.483 130 HG3 ARG 18 HG1 ARG 18 8.903 -1.424 6.657 131 HD2 ARG 18 HD2 ARG 18 11.069 -2.041 6.472 132 HD3 ARG 18 HD1 ARG 18 11.434 -0.786 5.289 133 HE ARG 18 HE ARG 18 12.234 0.478 7.001 134 HH11 ARG 18 HH11 ARG 18 9.943 -1.799 8.324 135 HH12 ARG 18 HH12 ARG 18 10.209 -1.305 9.962 136 HH21 ARG 18 HH21 ARG 18 12.584 1.129 9.154 137 HH22 ARG 18 HH22 ARG 18 11.708 0.358 10.434 138 H THR 19 HN THR 19 8.924 -0.405 1.888 139 HA THR 19 HA THR 19 11.263 1.243 1.273 140 HB THR 19 HB THR 19 11.847 -0.977 1.714 141 HG1 THR 19 HG1 THR 19 11.633 -0.774 -1.120 142 HG21 THR 19 HG21 THR 19 9.738 -2.050 1.618 143 HG22 THR 19 HG22 THR 19 10.871 -2.906 0.564 144 HG23 THR 19 HG23 THR 19 9.649 -1.839 -0.133 145 H SER 20 HN SER 20 8.234 0.029 -0.037 146 HA SER 20 HA SER 20 8.820 1.286 -2.623 147 HB2 SER 20 HB2 SER 20 7.801 -1.133 -2.216 148 HB3 SER 20 HB1 SER 20 6.291 -0.224 -2.161 149 HG SER 20 HG SER 20 8.160 -0.397 -4.276 150 H MET 21 HN MET 21 8.132 3.276 -2.995 151 HA MET 21 HA MET 21 6.207 4.554 -1.280 152 HB2 MET 21 HB2 MET 21 8.123 5.370 -3.346 153 HB3 MET 21 HB1 MET 21 6.641 6.314 -3.337 154 HG2 MET 21 HG2 MET 21 6.984 7.000 -1.099 155 HG3 MET 21 HG1 MET 21 8.289 5.837 -0.873 156 HE1 MET 21 HE1 MET 21 8.454 9.263 -0.348 157 HE2 MET 21 HE2 MET 21 10.194 9.199 -0.627 158 HE3 MET 21 HE3 MET 21 9.393 7.895 0.249 159 H LYS 22 HN LYS 22 6.265 3.361 -4.592 160 HA LYS 22 HA LYS 22 3.948 4.496 -5.589 161 HB2 LYS 22 HB2 LYS 22 5.537 3.248 -6.959 162 HB3 LYS 22 HB1 LYS 22 5.078 1.753 -6.157 163 HG2 LYS 22 HG2 LYS 22 2.672 2.530 -7.034 164 HG3 LYS 22 HG1 LYS 22 3.691 3.281 -8.264 165 HD2 LYS 22 HD2 LYS 22 4.744 1.123 -8.715 166 HD3 LYS 22 HD1 LYS 22 3.745 0.370 -7.470 167 HE2 LYS 22 HE2 LYS 22 2.510 1.845 -9.769 168 HE3 LYS 22 HE1 LYS 22 3.015 0.164 -9.934 169 HZ1 LYS 22 HZ1 LYS 22 0.606 0.931 -9.069 170 HZ2 LYS 22 HZ2 LYS 22 1.411 0.741 -7.594 171 HZ3 LYS 22 HZ3 LYS 22 1.319 -0.553 -8.679 172 H TYR 23 HN TYR 23 4.272 1.430 -3.824 173 HA TYR 23 HA TYR 23 1.578 0.657 -3.989 174 HB2 TYR 23 HB2 TYR 23 3.822 -0.049 -2.132 175 HB3 TYR 23 HB1 TYR 23 2.203 -0.694 -1.877 176 HD1 TYR 23 HD2 TYR 23 4.268 -0.142 -4.934 177 HD2 TYR 23 HD1 TYR 23 2.139 -2.900 -2.504 178 HE1 TYR 23 HE2 TYR 23 4.735 -1.928 -6.564 179 HE2 TYR 23 HE1 TYR 23 2.598 -4.694 -4.114 180 HH TYR 23 HH TYR 23 4.196 -5.225 -5.879 181 H ARG 24 HN ARG 24 3.154 2.939 -1.952 182 HA ARG 24 HA ARG 24 1.175 2.900 0.129 183 HB2 ARG 24 HB2 ARG 24 2.894 5.286 -0.187 184 HB3 ARG 24 HB1 ARG 24 2.515 4.358 1.252 185 HG2 ARG 24 HG2 ARG 24 4.045 2.582 0.409 186 HG3 ARG 24 HG1 ARG 24 4.514 3.682 -0.884 187 HD2 ARG 24 HD2 ARG 24 5.169 5.341 0.844 188 HD3 ARG 24 HD1 ARG 24 4.846 4.124 2.077 189 HE ARG 24 HE ARG 24 6.585 2.807 0.599 190 HH11 ARG 24 HH11 ARG 24 6.664 6.156 1.610 191 HH12 ARG 24 HH12 ARG 24 8.393 6.243 1.602 192 HH21 ARG 24 HH21 ARG 24 8.856 2.931 0.600 193 HH22 ARG 24 HH22 ARG 24 9.636 4.416 1.031 194 H LEU 25 HN LEU 25 2.093 5.457 -2.171 195 HA LEU 25 HA LEU 25 -0.467 6.757 -1.708 196 HB2 LEU 25 HB2 LEU 25 1.763 7.722 -3.475 197 HB3 LEU 25 HB1 LEU 25 0.484 8.668 -2.734 198 HG LEU 25 HG LEU 25 2.235 9.232 -1.367 199 HD11 LEU 25 HD11 LEU 25 1.874 6.799 0.247 200 HD12 LEU 25 HD12 LEU 25 0.387 7.641 -0.190 201 HD13 LEU 25 HD13 LEU 25 1.661 8.496 0.676 202 HD21 LEU 25 HD21 LEU 25 3.411 6.840 -2.434 203 HD22 LEU 25 HD22 LEU 25 3.688 6.934 -0.694 204 HD23 LEU 25 HD23 LEU 25 4.191 8.261 -1.740 205 H ASN 26 HN ASN 26 1.364 5.429 -4.445 206 HA ASN 26 HA ASN 26 -0.600 6.130 -6.373 207 HB2 ASN 26 HB2 ASN 26 1.956 5.479 -6.576 208 HB3 ASN 26 HB1 ASN 26 1.282 3.875 -6.861 209 HD21 ASN 26 HD21 ASN 26 2.671 4.868 -8.859 210 HD22 ASN 26 HD22 ASN 26 1.656 5.425 -10.141 211 H LEU 27 HN LEU 27 0.032 3.185 -4.519 212 HA LEU 27 HA LEU 27 -2.241 1.875 -5.799 213 HB2 LEU 27 HB2 LEU 27 0.170 0.906 -5.145 214 HB3 LEU 27 HB1 LEU 27 -0.683 0.530 -3.665 215 HG LEU 27 HG LEU 27 -2.310 -0.791 -4.914 216 HD11 LEU 27 HD11 LEU 27 -0.935 0.458 -7.205 217 HD12 LEU 27 HD12 LEU 27 -2.615 -0.047 -7.023 218 HD13 LEU 27 HD13 LEU 27 -1.370 -1.241 -7.391 219 HD21 LEU 27 HD21 LEU 27 -0.258 -2.251 -6.060 220 HD22 LEU 27 HD22 LEU 27 -0.844 -2.392 -4.403 221 HD23 LEU 27 HD23 LEU 27 0.534 -1.353 -4.766 222 H CYS 28 HN CYS 28 -2.151 0.424 -2.872 223 HA CYS 28 HA CYS 28 -4.519 1.739 -1.962 224 HB2 CYS 28 HB2 CYS 28 -4.415 0.140 -0.142 225 HB3 CYS 28 HB1 CYS 28 -4.029 -0.682 -1.657 226 H LYS 29 HN LYS 29 -4.803 2.950 -0.113 227 HA LYS 29 HA LYS 29 -2.531 4.532 0.697 228 HB2 LYS 29 HB2 LYS 29 -5.459 4.670 1.408 229 HB3 LYS 29 HB1 LYS 29 -4.248 5.780 2.038 230 HG2 LYS 29 HG2 LYS 29 -4.111 5.584 -0.845 231 HG3 LYS 29 HG1 LYS 29 -5.719 6.063 -0.296 232 HD2 LYS 29 HD2 LYS 29 -4.348 8.029 -0.667 233 HD3 LYS 29 HD1 LYS 29 -4.701 7.856 1.053 234 HE2 LYS 29 HE2 LYS 29 -2.218 6.595 0.039 235 HE3 LYS 29 HE1 LYS 29 -2.250 8.356 0.124 236 HZ1 LYS 29 HZ1 LYS 29 -2.249 6.393 2.272 237 HZ2 LYS 29 HZ2 LYS 29 -3.221 7.756 2.512 238 HZ3 LYS 29 HZ3 LYS 29 -1.566 7.940 2.217 239 H LYS 30 HN LYS 30 -5.040 2.710 2.425 240 HA LYS 30 HA LYS 30 -3.487 2.702 4.840 241 HB2 LYS 30 HB2 LYS 30 -5.847 2.967 5.045 242 HB3 LYS 30 HB1 LYS 30 -6.151 1.496 4.132 243 HG2 LYS 30 HG2 LYS 30 -6.517 0.891 6.351 244 HG3 LYS 30 HG1 LYS 30 -4.894 0.292 5.995 245 HD2 LYS 30 HD2 LYS 30 -3.875 1.856 7.316 246 HD3 LYS 30 HD1 LYS 30 -5.179 3.029 7.121 247 HE2 LYS 30 HE2 LYS 30 -6.338 0.846 8.423 248 HE3 LYS 30 HE1 LYS 30 -4.767 1.062 9.192 249 HZ1 LYS 30 HZ1 LYS 30 -5.388 3.476 9.398 250 HZ2 LYS 30 HZ2 LYS 30 -6.270 2.408 10.369 251 HZ3 LYS 30 HZ3 LYS 30 -6.962 3.035 8.959 252 H THR 31 HN THR 31 -4.774 0.066 2.773 253 HA THR 31 HA THR 31 -3.794 -2.049 4.192 254 HB THR 31 HB THR 31 -3.904 -1.861 1.184 255 HG1 THR 31 HG1 THR 31 -5.870 -1.493 2.601 256 HG21 THR 31 HG21 THR 31 -3.966 -4.185 1.092 257 HG22 THR 31 HG22 THR 31 -4.207 -4.334 2.831 258 HG23 THR 31 HG23 THR 31 -2.644 -3.820 2.202 259 H CYS 32 HN CYS 32 -1.943 0.114 2.203 260 HA CYS 32 HA CYS 32 0.378 -1.597 2.094 261 HB2 CYS 32 HB2 CYS 32 0.218 -0.025 0.324 262 HB3 CYS 32 HB1 CYS 32 -0.030 1.320 1.430 263 H GLY 33 HN GLY 33 -0.996 0.393 4.434 264 HA2 GLY 33 HA2 GLY 33 -0.301 0.524 6.667 265 HA3 GLY 33 HA1 GLY 33 1.291 -0.031 6.181 266 H THR 34 HN THR 34 -0.624 2.764 5.050 267 HA THR 34 HA THR 34 1.402 4.525 6.231 268 HB THR 34 HB THR 34 2.145 4.373 3.975 269 HG1 THR 34 HG1 THR 34 2.073 6.475 3.445 270 HG21 THR 34 HG21 THR 34 0.796 4.830 2.040 271 HG22 THR 34 HG22 THR 34 -0.626 5.061 3.055 272 HG23 THR 34 HG23 THR 34 0.123 3.467 2.934 273 H CYS 35 HN CYS 35 -1.839 4.164 4.890 274 HA CYS 35 HA CYS 35 -2.763 6.768 5.364 275 HB2 CYS 35 HB2 CYS 35 -3.945 4.967 4.046 276 HB3 CYS 35 HB1 CYS 35 -4.440 4.266 5.583 Start of MODEL 14 1 H1 ALA 2 HT1 ALA 2 -10.166 9.843 3.481 2 H2 ALA 2 HT2 ALA 2 -11.373 8.876 4.224 3 H3 ALA 2 HT3 ALA 2 -11.818 10.273 3.333 4 HA ALA 2 HA ALA 2 -12.117 8.039 2.264 5 HB1 ALA 2 HB1 ALA 2 -12.302 10.179 1.097 6 HB2 ALA 2 HB2 ALA 2 -11.537 8.956 0.082 7 HB3 ALA 2 HB3 ALA 2 -10.556 10.201 0.856 8 H CYS 3 HN CYS 3 -10.755 6.450 3.300 9 HA CYS 3 HA CYS 3 -8.217 6.064 1.857 10 HB2 CYS 3 HB2 CYS 3 -8.589 6.388 4.656 11 HB3 CYS 3 HB1 CYS 3 -8.139 4.709 4.378 12 H LYS 4 HN LYS 4 -8.024 4.179 0.822 13 HA LYS 4 HA LYS 4 -9.476 1.833 1.735 14 HB2 LYS 4 HB2 LYS 4 -10.144 3.346 -0.735 15 HB3 LYS 4 HB1 LYS 4 -10.129 1.592 -0.852 16 HG2 LYS 4 HG2 LYS 4 -11.636 2.929 1.352 17 HG3 LYS 4 HG1 LYS 4 -12.329 2.825 -0.268 18 HD2 LYS 4 HD2 LYS 4 -11.353 0.267 0.264 19 HD3 LYS 4 HD1 LYS 4 -12.097 0.791 1.775 20 HE2 LYS 4 HE2 LYS 4 -13.598 1.288 -0.734 21 HE3 LYS 4 HE1 LYS 4 -13.481 -0.381 -0.177 22 HZ1 LYS 4 HZ1 LYS 4 -14.151 0.846 2.083 23 HZ2 LYS 4 HZ2 LYS 4 -15.285 0.206 1.004 24 HZ3 LYS 4 HZ3 LYS 4 -14.927 1.859 0.971 25 H ASP 5 HN ASP 5 -9.065 0.042 -0.113 26 HA ASP 5 HA ASP 5 -6.168 0.079 -0.531 27 HB2 ASP 5 HB2 ASP 5 -6.232 -2.353 -0.360 28 HB3 ASP 5 HB1 ASP 5 -6.938 -1.602 1.063 29 H TYR 6 HN TYR 6 -5.525 0.261 -2.516 30 HA TYR 6 HA TYR 6 -7.210 0.015 -4.783 31 HB2 TYR 6 HB2 TYR 6 -4.333 0.582 -4.285 32 HB3 TYR 6 HB1 TYR 6 -4.750 -0.026 -5.883 33 HD1 TYR 6 HD1 TYR 6 -6.286 2.426 -3.504 34 HD2 TYR 6 HD2 TYR 6 -4.906 1.642 -7.452 35 HE1 TYR 6 HE1 TYR 6 -6.968 4.688 -4.185 36 HE2 TYR 6 HE2 TYR 6 -5.583 3.903 -8.144 37 HH TYR 6 HH TYR 6 -7.367 5.638 -7.275 38 H LEU 7 HN LEU 7 -5.549 -2.273 -2.904 39 HA LEU 7 HA LEU 7 -6.170 -4.372 -4.818 40 HB2 LEU 7 HB2 LEU 7 -3.418 -3.578 -4.002 41 HB3 LEU 7 HB1 LEU 7 -3.747 -5.266 -4.210 42 HG LEU 7 HG LEU 7 -4.603 -3.499 -6.414 43 HD11 LEU 7 HD11 LEU 7 -2.158 -3.828 -7.281 44 HD12 LEU 7 HD12 LEU 7 -1.780 -3.857 -5.560 45 HD13 LEU 7 HD13 LEU 7 -2.577 -2.451 -6.263 46 HD21 LEU 7 HD21 LEU 7 -3.978 -6.285 -5.967 47 HD22 LEU 7 HD22 LEU 7 -3.131 -5.644 -7.371 48 HD23 LEU 7 HD23 LEU 7 -4.887 -5.528 -7.271 49 HA PRO 8 HA PRO 8 -6.754 -6.678 -1.090 50 HB2 PRO 8 HB2 PRO 8 -6.034 -9.178 -1.599 51 HB3 PRO 8 HB1 PRO 8 -7.334 -8.405 -2.518 52 HG2 PRO 8 HG2 PRO 8 -4.499 -8.883 -3.267 53 HG3 PRO 8 HG1 PRO 8 -5.962 -9.027 -4.255 54 HD2 PRO 8 HD2 PRO 8 -4.234 -6.857 -4.229 55 HD3 PRO 8 HD1 PRO 8 -5.879 -6.802 -4.850 56 H LYS 9 HN LYS 9 -5.842 -7.990 0.606 57 HA LYS 9 HA LYS 9 -3.598 -6.876 1.750 58 HB2 LYS 9 HB2 LYS 9 -4.658 -9.651 2.293 59 HB3 LYS 9 HB1 LYS 9 -3.671 -8.680 3.377 60 HG2 LYS 9 HG2 LYS 9 -5.407 -7.241 3.884 61 HG3 LYS 9 HG1 LYS 9 -6.304 -7.642 2.418 62 HD2 LYS 9 HD2 LYS 9 -6.111 -10.058 3.756 63 HD3 LYS 9 HD1 LYS 9 -6.374 -8.884 5.047 64 HE2 LYS 9 HE2 LYS 9 -8.068 -9.051 2.561 65 HE3 LYS 9 HE1 LYS 9 -8.459 -9.877 4.069 66 HZ1 LYS 9 HZ1 LYS 9 -8.673 -7.069 3.387 67 HZ2 LYS 9 HZ2 LYS 9 -8.062 -7.383 4.932 68 HZ3 LYS 9 HZ3 LYS 9 -9.575 -7.990 4.482 69 H SER 10 HN SER 10 -3.740 -9.400 -0.607 70 HA SER 10 HA SER 10 -1.140 -10.470 -0.051 71 HB2 SER 10 HB2 SER 10 -2.648 -11.978 -1.072 72 HB3 SER 10 HB1 SER 10 -3.087 -10.818 -2.325 73 HG SER 10 HG SER 10 -0.486 -11.908 -2.029 74 H GLU 11 HN GLU 11 -2.323 -7.773 -1.862 75 HA GLU 11 HA GLU 11 0.155 -7.585 -3.413 76 HB2 GLU 11 HB2 GLU 11 -2.589 -6.678 -3.683 77 HB3 GLU 11 HB1 GLU 11 -1.446 -5.387 -4.000 78 HG2 GLU 11 HG2 GLU 11 -0.753 -7.889 -5.323 79 HG3 GLU 11 HG1 GLU 11 -2.339 -7.270 -5.791 80 H CYS 12 HN CYS 12 -1.720 -5.875 -1.000 81 HA CYS 12 HA CYS 12 0.359 -3.834 -0.794 82 HB2 CYS 12 HB2 CYS 12 -2.511 -4.017 -0.058 83 HB3 CYS 12 HB1 CYS 12 -1.494 -2.934 0.903 84 H THR 13 HN THR 13 1.958 -4.326 0.508 85 HA THR 13 HA THR 13 1.324 -5.640 3.069 86 HB THR 13 HB THR 13 3.724 -6.542 2.886 87 HG1 THR 13 HG1 THR 13 3.332 -5.942 0.149 88 HG21 THR 13 HG21 THR 13 1.976 -7.577 0.674 89 HG22 THR 13 HG22 THR 13 1.595 -7.860 2.376 90 HG23 THR 13 HG23 THR 13 3.109 -8.461 1.702 91 H GLN 14 HN GLN 14 2.313 -4.838 4.912 92 HA GLN 14 HA GLN 14 2.891 -2.151 5.090 93 HB2 GLN 14 HB2 GLN 14 3.780 -4.467 6.804 94 HB3 GLN 14 HB1 GLN 14 4.166 -2.801 7.215 95 HG2 GLN 14 HG2 GLN 14 2.253 -3.256 8.449 96 HG3 GLN 14 HG1 GLN 14 1.653 -2.368 7.049 97 HE21 GLN 14 HE21 GLN 14 0.349 -3.394 5.568 98 HE22 GLN 14 HE22 GLN 14 -0.300 -4.975 5.821 99 H PHE 15 HN PHE 15 4.908 -4.783 4.131 100 HA PHE 15 HA PHE 15 7.445 -3.615 4.341 101 HB2 PHE 15 HB2 PHE 15 6.219 -5.925 3.040 102 HB3 PHE 15 HB1 PHE 15 7.576 -5.279 2.135 103 HD1 PHE 15 HD1 PHE 15 9.756 -4.905 3.428 104 HD2 PHE 15 HD2 PHE 15 6.569 -7.340 4.847 105 HE1 PHE 15 HE1 PHE 15 11.317 -6.052 4.935 106 HE2 PHE 15 HE2 PHE 15 8.126 -8.497 6.364 107 HZ PHE 15 HZ PHE 15 10.504 -7.854 6.410 108 H ARG 16 HN ARG 16 4.942 -3.370 1.908 109 HA ARG 16 HA ARG 16 6.479 -2.211 -0.139 110 HB2 ARG 16 HB2 ARG 16 3.553 -1.683 0.353 111 HB3 ARG 16 HB1 ARG 16 4.410 -1.635 -1.170 112 HG2 ARG 16 HG2 ARG 16 4.041 -4.115 0.454 113 HG3 ARG 16 HG1 ARG 16 2.985 -3.622 -0.870 114 HD2 ARG 16 HD2 ARG 16 5.240 -3.479 -2.198 115 HD3 ARG 16 HD1 ARG 16 5.813 -4.576 -0.941 116 HE ARG 16 HE ARG 16 3.390 -5.555 -1.955 117 HH11 ARG 16 HH11 ARG 16 6.699 -5.082 -2.958 118 HH12 ARG 16 HH12 ARG 16 6.679 -6.401 -4.079 119 HH21 ARG 16 HH21 ARG 16 3.362 -7.290 -3.428 120 HH22 ARG 16 HH22 ARG 16 4.784 -7.655 -4.347 121 H CYS 17 HN CYS 17 4.493 -0.676 2.396 122 HA CYS 17 HA CYS 17 5.099 1.951 1.560 123 HB2 CYS 17 HB2 CYS 17 3.939 0.761 4.032 124 HB3 CYS 17 HB1 CYS 17 4.465 2.439 4.057 125 H ARG 18 HN ARG 18 6.852 -0.347 3.399 126 HA ARG 18 HA ARG 18 8.512 1.374 4.890 127 HB2 ARG 18 HB2 ARG 18 8.268 -1.391 4.514 128 HB3 ARG 18 HB1 ARG 18 9.914 -0.990 3.991 129 HG2 ARG 18 HG2 ARG 18 9.083 0.231 6.540 130 HG3 ARG 18 HG1 ARG 18 9.174 -1.532 6.553 131 HD2 ARG 18 HD2 ARG 18 11.439 -1.547 6.071 132 HD3 ARG 18 HD1 ARG 18 11.404 0.071 5.372 133 HE ARG 18 HE ARG 18 10.798 0.029 8.177 134 HH11 ARG 18 HH11 ARG 18 13.368 0.109 5.818 135 HH12 ARG 18 HH12 ARG 18 14.507 0.839 6.899 136 HH21 ARG 18 HH21 ARG 18 12.294 0.989 9.601 137 HH22 ARG 18 HH22 ARG 18 13.898 1.338 9.048 138 H THR 19 HN THR 19 8.992 -0.277 1.868 139 HA THR 19 HA THR 19 11.287 1.451 1.309 140 HB THR 19 HB THR 19 11.946 -0.750 1.711 141 HG1 THR 19 HG1 THR 19 12.809 -1.364 -0.282 142 HG21 THR 19 HG21 THR 19 9.765 -1.658 -0.132 143 HG22 THR 19 HG22 THR 19 9.890 -1.905 1.613 144 HG23 THR 19 HG23 THR 19 11.035 -2.696 0.523 145 H SER 20 HN SER 20 8.304 0.179 -0.040 146 HA SER 20 HA SER 20 8.864 1.503 -2.600 147 HB2 SER 20 HB2 SER 20 6.464 -0.221 -2.020 148 HB3 SER 20 HB1 SER 20 7.205 0.144 -3.578 149 HG SER 20 HG SER 20 8.328 -1.432 -1.501 150 H MET 21 HN MET 21 8.077 3.461 -2.978 151 HA MET 21 HA MET 21 6.148 4.661 -1.212 152 HB2 MET 21 HB2 MET 21 7.471 5.704 -3.719 153 HB3 MET 21 HB1 MET 21 6.444 6.660 -2.660 154 HG2 MET 21 HG2 MET 21 8.488 7.255 -1.873 155 HG3 MET 21 HG1 MET 21 8.155 5.873 -0.831 156 HE1 MET 21 HE1 MET 21 9.303 5.649 -4.721 157 HE2 MET 21 HE2 MET 21 11.019 5.933 -4.427 158 HE3 MET 21 HE3 MET 21 9.834 7.169 -4.001 159 H LYS 22 HN LYS 22 6.133 3.309 -4.437 160 HA LYS 22 HA LYS 22 3.804 4.390 -5.473 161 HB2 LYS 22 HB2 LYS 22 5.559 2.773 -6.509 162 HB3 LYS 22 HB1 LYS 22 4.495 1.506 -5.915 163 HG2 LYS 22 HG2 LYS 22 2.988 3.506 -7.329 164 HG3 LYS 22 HG1 LYS 22 4.307 2.895 -8.327 165 HD2 LYS 22 HD2 LYS 22 2.491 1.035 -6.827 166 HD3 LYS 22 HD1 LYS 22 2.050 1.668 -8.414 167 HE2 LYS 22 HE2 LYS 22 4.065 0.725 -9.380 168 HE3 LYS 22 HE1 LYS 22 4.590 0.163 -7.793 169 HZ1 LYS 22 HZ1 LYS 22 2.189 -0.760 -9.278 170 HZ2 LYS 22 HZ2 LYS 22 2.608 -1.257 -7.716 171 HZ3 LYS 22 HZ3 LYS 22 3.612 -1.640 -9.023 172 H TYR 23 HN TYR 23 4.071 1.241 -3.831 173 HA TYR 23 HA TYR 23 1.407 0.567 -3.748 174 HB2 TYR 23 HB2 TYR 23 3.560 -0.018 -1.725 175 HB3 TYR 23 HB1 TYR 23 1.993 -0.813 -1.757 176 HD1 TYR 23 HD1 TYR 23 5.160 -0.367 -3.600 177 HD2 TYR 23 HD2 TYR 23 1.550 -2.589 -3.267 178 HE1 TYR 23 HE1 TYR 23 6.058 -2.048 -5.152 179 HE2 TYR 23 HE2 TYR 23 2.436 -4.275 -4.817 180 HH TYR 23 HH TYR 23 5.705 -4.418 -5.709 181 H ARG 24 HN ARG 24 3.027 2.954 -1.827 182 HA ARG 24 HA ARG 24 1.070 2.963 0.278 183 HB2 ARG 24 HB2 ARG 24 2.777 5.345 -0.091 184 HB3 ARG 24 HB1 ARG 24 2.435 4.423 1.361 185 HG2 ARG 24 HG2 ARG 24 3.961 2.647 0.461 186 HG3 ARG 24 HG1 ARG 24 4.417 3.787 -0.801 187 HD2 ARG 24 HD2 ARG 24 5.053 5.403 0.983 188 HD3 ARG 24 HD1 ARG 24 4.762 4.134 2.171 189 HE ARG 24 HE ARG 24 6.509 2.904 0.627 190 HH11 ARG 24 HH11 ARG 24 6.543 6.213 1.767 191 HH12 ARG 24 HH12 ARG 24 8.269 6.330 1.747 192 HH21 ARG 24 HH21 ARG 24 8.777 3.068 0.610 193 HH22 ARG 24 HH22 ARG 24 9.537 4.548 1.092 194 H LEU 25 HN LEU 25 1.978 5.484 -2.068 195 HA LEU 25 HA LEU 25 -0.589 6.779 -1.618 196 HB2 LEU 25 HB2 LEU 25 1.647 7.744 -3.377 197 HB3 LEU 25 HB1 LEU 25 0.357 8.689 -2.653 198 HG LEU 25 HG LEU 25 2.086 9.272 -1.269 199 HD11 LEU 25 HD11 LEU 25 1.517 8.528 0.774 200 HD12 LEU 25 HD12 LEU 25 1.735 6.833 0.342 201 HD13 LEU 25 HD13 LEU 25 0.247 7.672 -0.099 202 HD21 LEU 25 HD21 LEU 25 4.056 8.322 -1.626 203 HD22 LEU 25 HD22 LEU 25 3.296 6.894 -2.325 204 HD23 LEU 25 HD23 LEU 25 3.559 6.989 -0.583 205 H ASN 26 HN ASN 26 1.260 5.447 -4.335 206 HA ASN 26 HA ASN 26 -0.689 6.124 -6.286 207 HB2 ASN 26 HB2 ASN 26 1.869 5.474 -6.457 208 HB3 ASN 26 HB1 ASN 26 1.201 3.864 -6.721 209 HD21 ASN 26 HD21 ASN 26 1.674 3.625 -8.836 210 HD22 ASN 26 HD22 ASN 26 1.037 4.621 -10.095 211 H LEU 27 HN LEU 27 -0.061 3.208 -4.397 212 HA LEU 27 HA LEU 27 -2.328 1.876 -5.671 213 HB2 LEU 27 HB2 LEU 27 0.093 0.921 -5.025 214 HB3 LEU 27 HB1 LEU 27 -0.752 0.546 -3.539 215 HG LEU 27 HG LEU 27 -2.511 -0.483 -5.263 216 HD11 LEU 27 HD11 LEU 27 -0.155 -1.428 -6.708 217 HD12 LEU 27 HD12 LEU 27 -0.530 0.270 -6.999 218 HD13 LEU 27 HD13 LEU 27 -1.748 -0.967 -7.309 219 HD21 LEU 27 HD21 LEU 27 -0.452 -1.457 -3.563 220 HD22 LEU 27 HD22 LEU 27 -0.476 -2.448 -5.022 221 HD23 LEU 27 HD23 LEU 27 -1.942 -2.259 -4.061 222 H CYS 28 HN CYS 28 -2.224 0.428 -2.749 223 HA CYS 28 HA CYS 28 -4.586 1.744 -1.823 224 HB2 CYS 28 HB2 CYS 28 -4.432 0.161 0.030 225 HB3 CYS 28 HB1 CYS 28 -4.147 -0.665 -1.504 226 H LYS 29 HN LYS 29 -4.855 2.947 0.026 227 HA LYS 29 HA LYS 29 -2.584 4.530 0.827 228 HB2 LYS 29 HB2 LYS 29 -5.513 4.665 1.536 229 HB3 LYS 29 HB1 LYS 29 -4.303 5.760 2.194 230 HG2 LYS 29 HG2 LYS 29 -4.225 5.562 -0.715 231 HG3 LYS 29 HG1 LYS 29 -5.758 6.172 -0.086 232 HD2 LYS 29 HD2 LYS 29 -3.091 7.260 0.785 233 HD3 LYS 29 HD1 LYS 29 -3.980 7.906 -0.595 234 HE2 LYS 29 HE2 LYS 29 -5.294 9.099 0.743 235 HE3 LYS 29 HE1 LYS 29 -5.723 7.665 1.674 236 HZ1 LYS 29 HZ1 LYS 29 -4.159 8.099 3.241 237 HZ2 LYS 29 HZ2 LYS 29 -4.458 9.689 2.750 238 HZ3 LYS 29 HZ3 LYS 29 -3.103 8.865 2.164 239 H LYS 30 HN LYS 30 -5.067 2.663 2.540 240 HA LYS 30 HA LYS 30 -3.521 2.656 4.957 241 HB2 LYS 30 HB2 LYS 30 -5.887 2.870 5.158 242 HB3 LYS 30 HB1 LYS 30 -6.155 1.405 4.222 243 HG2 LYS 30 HG2 LYS 30 -6.513 0.720 6.404 244 HG3 LYS 30 HG1 LYS 30 -4.848 0.223 6.089 245 HD2 LYS 30 HD2 LYS 30 -3.963 1.823 7.463 246 HD3 LYS 30 HD1 LYS 30 -5.328 2.920 7.243 247 HE2 LYS 30 HE2 LYS 30 -6.721 1.471 8.633 248 HE3 LYS 30 HE1 LYS 30 -5.367 0.362 8.842 249 HZ1 LYS 30 HZ1 LYS 30 -5.956 2.320 10.548 250 HZ2 LYS 30 HZ2 LYS 30 -4.844 3.124 9.558 251 HZ3 LYS 30 HZ3 LYS 30 -4.396 1.696 10.347 252 H THR 31 HN THR 31 -4.777 -0.012 2.900 253 HA THR 31 HA THR 31 -3.717 -2.095 4.306 254 HB THR 31 HB THR 31 -3.875 -1.927 1.300 255 HG1 THR 31 HG1 THR 31 -5.754 -2.842 3.218 256 HG21 THR 31 HG21 THR 31 -3.945 -4.265 1.248 257 HG22 THR 31 HG22 THR 31 -4.097 -4.379 3.000 258 HG23 THR 31 HG23 THR 31 -2.574 -3.859 2.283 259 H CYS 32 HN CYS 32 -1.949 0.080 2.245 260 HA CYS 32 HA CYS 32 0.391 -1.585 2.086 261 HB2 CYS 32 HB2 CYS 32 0.168 0.022 0.349 262 HB3 CYS 32 HB1 CYS 32 -0.050 1.342 1.491 263 H GLY 33 HN GLY 33 -0.957 0.339 4.491 264 HA2 GLY 33 HA2 GLY 33 -0.222 0.453 6.710 265 HA3 GLY 33 HA1 GLY 33 1.360 -0.100 6.191 266 H THR 34 HN THR 34 -0.575 2.715 5.149 267 HA THR 34 HA THR 34 1.489 4.455 6.298 268 HB THR 34 HB THR 34 2.146 4.338 4.009 269 HG1 THR 34 HG1 THR 34 2.045 6.456 3.505 270 HG21 THR 34 HG21 THR 34 0.723 4.847 2.139 271 HG22 THR 34 HG22 THR 34 -0.656 5.059 3.216 272 HG23 THR 34 HG23 THR 34 0.082 3.466 3.028 273 H CYS 35 HN CYS 35 -1.793 4.094 5.084 274 HA CYS 35 HA CYS 35 -2.774 6.652 5.521 275 HB2 CYS 35 HB2 CYS 35 -4.030 4.787 4.440 276 HB3 CYS 35 HB1 CYS 35 -4.272 4.076 6.032 Start of MODEL 15 1 H1 ALA 2 HT1 ALA 2 -11.472 7.009 2.156 2 H2 ALA 2 HT2 ALA 2 -10.998 8.120 0.937 3 H3 ALA 2 HT3 ALA 2 -12.157 8.580 2.117 4 HA ALA 2 HA ALA 2 -9.819 9.412 2.364 5 HB1 ALA 2 HB1 ALA 2 -10.206 9.677 4.591 6 HB2 ALA 2 HB2 ALA 2 -10.666 7.991 4.827 7 HB3 ALA 2 HB3 ALA 2 -11.805 9.121 4.096 8 H CYS 3 HN CYS 3 -10.382 6.110 3.598 9 HA CYS 3 HA CYS 3 -7.576 5.491 2.985 10 HB2 CYS 3 HB2 CYS 3 -9.036 5.000 5.575 11 HB3 CYS 3 HB1 CYS 3 -7.611 4.073 5.121 12 H LYS 4 HN LYS 4 -8.081 4.259 1.199 13 HA LYS 4 HA LYS 4 -9.609 1.802 1.752 14 HB2 LYS 4 HB2 LYS 4 -9.806 3.709 -0.521 15 HB3 LYS 4 HB1 LYS 4 -9.964 1.998 -0.891 16 HG2 LYS 4 HG2 LYS 4 -11.565 2.953 1.384 17 HG3 LYS 4 HG1 LYS 4 -12.019 3.592 -0.197 18 HD2 LYS 4 HD2 LYS 4 -12.070 1.236 -1.040 19 HD3 LYS 4 HD1 LYS 4 -11.830 0.696 0.623 20 HE2 LYS 4 HE2 LYS 4 -14.080 2.534 -0.135 21 HE3 LYS 4 HE1 LYS 4 -14.228 0.783 -0.275 22 HZ1 LYS 4 HZ1 LYS 4 -14.029 0.508 2.012 23 HZ2 LYS 4 HZ2 LYS 4 -15.014 1.876 1.870 24 HZ3 LYS 4 HZ3 LYS 4 -13.376 2.051 2.253 25 H ASP 5 HN ASP 5 -9.145 0.237 -0.271 26 HA ASP 5 HA ASP 5 -6.224 0.112 -0.545 27 HB2 ASP 5 HB2 ASP 5 -6.382 -2.324 -0.423 28 HB3 ASP 5 HB1 ASP 5 -7.045 -1.571 1.021 29 H TYR 6 HN TYR 6 -5.540 0.235 -2.532 30 HA TYR 6 HA TYR 6 -7.268 0.026 -4.796 31 HB2 TYR 6 HB2 TYR 6 -4.935 1.340 -4.324 32 HB3 TYR 6 HB1 TYR 6 -4.339 -0.045 -5.230 33 HD1 TYR 6 HD1 TYR 6 -5.298 -0.488 -7.527 34 HD2 TYR 6 HD2 TYR 6 -6.008 3.134 -5.412 35 HE1 TYR 6 HE1 TYR 6 -5.949 0.606 -9.631 36 HE2 TYR 6 HE2 TYR 6 -6.662 4.238 -7.510 37 HH TYR 6 HH TYR 6 -7.456 3.685 -9.713 38 H LEU 7 HN LEU 7 -5.626 -2.234 -2.917 39 HA LEU 7 HA LEU 7 -6.136 -4.334 -4.859 40 HB2 LEU 7 HB2 LEU 7 -3.422 -3.495 -3.965 41 HB3 LEU 7 HB1 LEU 7 -3.716 -5.190 -4.163 42 HG LEU 7 HG LEU 7 -4.520 -3.441 -6.407 43 HD11 LEU 7 HD11 LEU 7 -1.748 -3.748 -5.425 44 HD12 LEU 7 HD12 LEU 7 -2.501 -2.416 -6.304 45 HD13 LEU 7 HD13 LEU 7 -2.015 -3.879 -7.163 46 HD21 LEU 7 HD21 LEU 7 -3.799 -6.234 -5.931 47 HD22 LEU 7 HD22 LEU 7 -3.124 -5.552 -7.408 48 HD23 LEU 7 HD23 LEU 7 -4.867 -5.526 -7.139 49 HA PRO 8 HA PRO 8 -6.797 -6.653 -1.152 50 HB2 PRO 8 HB2 PRO 8 -6.020 -9.140 -1.638 51 HB3 PRO 8 HB1 PRO 8 -7.301 -8.389 -2.602 52 HG2 PRO 8 HG2 PRO 8 -4.430 -8.808 -3.251 53 HG3 PRO 8 HG1 PRO 8 -5.855 -8.993 -4.287 54 HD2 PRO 8 HD2 PRO 8 -4.186 -6.782 -4.224 55 HD3 PRO 8 HD1 PRO 8 -5.818 -6.766 -4.882 56 H LYS 9 HN LYS 9 -5.904 -7.946 0.575 57 HA LYS 9 HA LYS 9 -3.688 -6.788 1.750 58 HB2 LYS 9 HB2 LYS 9 -4.766 -9.548 2.333 59 HB3 LYS 9 HB1 LYS 9 -3.798 -8.556 3.415 60 HG2 LYS 9 HG2 LYS 9 -5.538 -7.157 3.918 61 HG3 LYS 9 HG1 LYS 9 -6.367 -7.458 2.389 62 HD2 LYS 9 HD2 LYS 9 -7.084 -9.619 3.128 63 HD3 LYS 9 HD1 LYS 9 -6.082 -9.513 4.577 64 HE2 LYS 9 HE2 LYS 9 -7.441 -7.736 5.453 65 HE3 LYS 9 HE1 LYS 9 -8.361 -7.641 3.952 66 HZ1 LYS 9 HZ1 LYS 9 -8.342 -9.891 5.888 67 HZ2 LYS 9 HZ2 LYS 9 -9.112 -9.943 4.383 68 HZ3 LYS 9 HZ3 LYS 9 -9.629 -8.842 5.559 69 H SER 10 HN SER 10 -3.771 -9.312 -0.594 70 HA SER 10 HA SER 10 -1.190 -10.392 0.055 71 HB2 SER 10 HB2 SER 10 -3.140 -10.806 -2.194 72 HB3 SER 10 HB1 SER 10 -1.515 -11.488 -2.269 73 HG SER 10 HG SER 10 -3.313 -12.791 -1.293 74 H GLU 11 HN GLU 11 -2.315 -7.712 -1.815 75 HA GLU 11 HA GLU 11 0.189 -7.589 -3.331 76 HB2 GLU 11 HB2 GLU 11 -2.536 -6.609 -3.658 77 HB3 GLU 11 HB1 GLU 11 -1.335 -5.383 -4.018 78 HG2 GLU 11 HG2 GLU 11 -0.662 -7.912 -5.243 79 HG3 GLU 11 HG1 GLU 11 -2.284 -7.386 -5.700 80 H CYS 12 HN CYS 12 -1.689 -5.810 -0.968 81 HA CYS 12 HA CYS 12 0.441 -3.820 -0.763 82 HB2 CYS 12 HB2 CYS 12 -2.455 -3.878 -0.170 83 HB3 CYS 12 HB1 CYS 12 -1.459 -2.865 0.884 84 H THR 13 HN THR 13 1.989 -4.387 0.559 85 HA THR 13 HA THR 13 1.270 -5.621 3.137 86 HB THR 13 HB THR 13 3.677 -6.533 3.014 87 HG1 THR 13 HG1 THR 13 3.331 -6.016 0.256 88 HG21 THR 13 HG21 THR 13 1.551 -7.856 2.502 89 HG22 THR 13 HG22 THR 13 3.069 -8.470 1.848 90 HG23 THR 13 HG23 THR 13 1.945 -7.597 0.800 91 H GLN 14 HN GLN 14 2.261 -4.823 4.999 92 HA GLN 14 HA GLN 14 2.836 -2.140 5.188 93 HB2 GLN 14 HB2 GLN 14 4.136 -4.245 6.924 94 HB3 GLN 14 HB1 GLN 14 3.771 -2.581 7.359 95 HG2 GLN 14 HG2 GLN 14 1.836 -4.836 6.920 96 HG3 GLN 14 HG1 GLN 14 2.162 -3.960 8.414 97 HE21 GLN 14 HE21 GLN 14 0.366 -4.046 5.499 98 HE22 GLN 14 HE22 GLN 14 -0.540 -2.597 5.751 99 H PHE 15 HN PHE 15 4.874 -4.763 4.232 100 HA PHE 15 HA PHE 15 7.401 -3.585 4.406 101 HB2 PHE 15 HB2 PHE 15 6.163 -5.880 3.084 102 HB3 PHE 15 HB1 PHE 15 7.512 -5.221 2.179 103 HD1 PHE 15 HD1 PHE 15 9.724 -4.945 3.382 104 HD2 PHE 15 HD2 PHE 15 6.506 -7.248 4.943 105 HE1 PHE 15 HE1 PHE 15 11.295 -6.123 4.856 106 HE2 PHE 15 HE2 PHE 15 8.072 -8.435 6.426 107 HZ PHE 15 HZ PHE 15 10.471 -7.874 6.385 108 H ARG 16 HN ARG 16 4.922 -3.453 1.912 109 HA ARG 16 HA ARG 16 6.367 -2.229 -0.123 110 HB2 ARG 16 HB2 ARG 16 3.451 -1.815 0.546 111 HB3 ARG 16 HB1 ARG 16 4.211 -1.509 -1.001 112 HG2 ARG 16 HG2 ARG 16 4.074 -4.197 0.301 113 HG3 ARG 16 HG1 ARG 16 2.928 -3.611 -0.903 114 HD2 ARG 16 HD2 ARG 16 4.980 -3.210 -2.381 115 HD3 ARG 16 HD1 ARG 16 5.852 -4.220 -1.228 116 HE ARG 16 HE ARG 16 3.458 -5.462 -2.174 117 HH11 ARG 16 HH11 ARG 16 6.801 -4.834 -2.953 118 HH12 ARG 16 HH12 ARG 16 6.946 -6.206 -3.998 119 HH21 ARG 16 HH21 ARG 16 3.646 -7.268 -3.547 120 HH22 ARG 16 HH22 ARG 16 5.154 -7.588 -4.337 121 H CYS 17 HN CYS 17 4.446 -0.669 2.454 122 HA CYS 17 HA CYS 17 5.082 1.949 1.610 123 HB2 CYS 17 HB2 CYS 17 3.946 0.784 4.110 124 HB3 CYS 17 HB1 CYS 17 4.475 2.461 4.100 125 H ARG 18 HN ARG 18 6.805 -0.373 3.449 126 HA ARG 18 HA ARG 18 8.519 1.315 4.908 127 HB2 ARG 18 HB2 ARG 18 8.224 -1.444 4.533 128 HB3 ARG 18 HB1 ARG 18 9.868 -1.071 3.984 129 HG2 ARG 18 HG2 ARG 18 10.288 0.029 6.159 130 HG3 ARG 18 HG1 ARG 18 8.677 -0.450 6.696 131 HD2 ARG 18 HD2 ARG 18 10.662 -2.462 5.687 132 HD3 ARG 18 HD1 ARG 18 10.666 -1.927 7.367 133 HE ARG 18 HE ARG 18 8.815 -3.723 6.138 134 HH11 ARG 18 HH11 ARG 18 9.171 -1.337 8.659 135 HH12 ARG 18 HH12 ARG 18 7.895 -1.990 9.631 136 HH21 ARG 18 HH21 ARG 18 7.135 -4.584 7.414 137 HH22 ARG 18 HH22 ARG 18 6.739 -3.834 8.924 138 H THR 19 HN THR 19 8.925 -0.334 1.874 139 HA THR 19 HA THR 19 11.244 1.354 1.286 140 HB THR 19 HB THR 19 11.856 -0.867 1.675 141 HG1 THR 19 HG1 THR 19 11.619 -0.678 -1.155 142 HG21 THR 19 HG21 THR 19 10.895 -2.781 0.473 143 HG22 THR 19 HG22 THR 19 9.647 -1.709 -0.168 144 HG23 THR 19 HG23 THR 19 9.772 -1.975 1.575 145 H SER 20 HN SER 20 8.231 0.118 -0.054 146 HA SER 20 HA SER 20 8.800 1.447 -2.607 147 HB2 SER 20 HB2 SER 20 6.618 -0.498 -1.832 148 HB3 SER 20 HB1 SER 20 6.792 0.224 -3.431 149 HG SER 20 HG SER 20 8.017 -1.922 -2.444 150 H MET 21 HN MET 21 8.039 3.406 -2.988 151 HA MET 21 HA MET 21 6.108 4.639 -1.245 152 HB2 MET 21 HB2 MET 21 7.773 5.539 -3.561 153 HB3 MET 21 HB1 MET 21 6.412 6.526 -3.049 154 HG2 MET 21 HG2 MET 21 7.458 7.243 -1.207 155 HG3 MET 21 HG1 MET 21 8.174 5.668 -0.876 156 HE1 MET 21 HE1 MET 21 10.160 9.243 -1.699 157 HE2 MET 21 HE2 MET 21 10.710 8.101 -0.473 158 HE3 MET 21 HE3 MET 21 9.009 8.561 -0.550 159 H LYS 22 HN LYS 22 6.175 3.516 -4.589 160 HA LYS 22 HA LYS 22 3.819 4.566 -5.556 161 HB2 LYS 22 HB2 LYS 22 5.422 3.377 -6.949 162 HB3 LYS 22 HB1 LYS 22 5.038 1.865 -6.140 163 HG2 LYS 22 HG2 LYS 22 3.730 1.586 -7.952 164 HG3 LYS 22 HG1 LYS 22 2.590 2.525 -6.987 165 HD2 LYS 22 HD2 LYS 22 3.115 4.522 -8.150 166 HD3 LYS 22 HD1 LYS 22 4.525 3.788 -8.914 167 HE2 LYS 22 HE2 LYS 22 2.726 2.120 -9.864 168 HE3 LYS 22 HE1 LYS 22 1.632 3.465 -9.546 169 HZ1 LYS 22 HZ1 LYS 22 2.849 4.856 -10.997 170 HZ2 LYS 22 HZ2 LYS 22 2.618 3.400 -11.827 171 HZ3 LYS 22 HZ3 LYS 22 4.120 3.746 -11.132 172 H TYR 23 HN TYR 23 4.238 1.550 -3.736 173 HA TYR 23 HA TYR 23 1.561 0.688 -3.919 174 HB2 TYR 23 HB2 TYR 23 3.820 0.052 -2.056 175 HB3 TYR 23 HB1 TYR 23 2.224 -0.651 -1.820 176 HD1 TYR 23 HD2 TYR 23 4.384 -0.036 -4.805 177 HD2 TYR 23 HD1 TYR 23 2.163 -2.835 -2.505 178 HE1 TYR 23 HE2 TYR 23 4.937 -1.802 -6.430 179 HE2 TYR 23 HE1 TYR 23 2.708 -4.607 -4.111 180 HH TYR 23 HH TYR 23 5.112 -4.440 -6.293 181 H ARG 24 HN ARG 24 3.090 3.007 -1.883 182 HA ARG 24 HA ARG 24 1.101 2.924 0.191 183 HB2 ARG 24 HB2 ARG 24 2.804 5.325 -0.085 184 HB3 ARG 24 HB1 ARG 24 2.427 4.374 1.340 185 HG2 ARG 24 HG2 ARG 24 3.978 2.624 0.484 186 HG3 ARG 24 HG1 ARG 24 4.437 3.738 -0.802 187 HD2 ARG 24 HD2 ARG 24 5.078 5.389 0.942 188 HD3 ARG 24 HD1 ARG 24 4.773 4.155 2.162 189 HE ARG 24 HE ARG 24 6.516 2.879 0.635 190 HH11 ARG 24 HH11 ARG 24 6.570 6.186 1.777 191 HH12 ARG 24 HH12 ARG 24 8.297 6.283 1.788 192 HH21 ARG 24 HH21 ARG 24 8.787 3.014 0.662 193 HH22 ARG 24 HH22 ARG 24 9.556 4.484 1.157 194 H LEU 25 HN LEU 25 2.028 5.505 -2.073 195 HA LEU 25 HA LEU 25 -0.540 6.795 -1.625 196 HB2 LEU 25 HB2 LEU 25 1.704 7.785 -3.360 197 HB3 LEU 25 HB1 LEU 25 0.422 8.720 -2.609 198 HG LEU 25 HG LEU 25 2.175 9.261 -1.233 199 HD11 LEU 25 HD11 LEU 25 1.800 6.829 0.368 200 HD12 LEU 25 HD12 LEU 25 0.309 7.652 -0.089 201 HD13 LEU 25 HD13 LEU 25 1.561 8.523 0.793 202 HD21 LEU 25 HD21 LEU 25 3.608 6.949 -0.568 203 HD22 LEU 25 HD22 LEU 25 4.126 8.277 -1.606 204 HD23 LEU 25 HD23 LEU 25 3.341 6.866 -2.310 205 H ASN 26 HN ASN 26 1.328 5.514 -4.361 206 HA ASN 26 HA ASN 26 -0.617 6.232 -6.301 207 HB2 ASN 26 HB2 ASN 26 1.943 5.605 -6.486 208 HB3 ASN 26 HB1 ASN 26 1.289 3.998 -6.797 209 HD21 ASN 26 HD21 ASN 26 2.415 6.618 -8.283 210 HD22 ASN 26 HD22 ASN 26 1.517 6.565 -9.758 211 H LEU 27 HN LEU 27 0.001 3.257 -4.487 212 HA LEU 27 HA LEU 27 -2.253 1.977 -5.834 213 HB2 LEU 27 HB2 LEU 27 0.214 1.058 -4.923 214 HB3 LEU 27 HB1 LEU 27 -0.940 0.379 -3.801 215 HG LEU 27 HG LEU 27 -2.181 -0.592 -5.712 216 HD11 LEU 27 HD11 LEU 27 -0.108 0.904 -7.208 217 HD12 LEU 27 HD12 LEU 27 -1.787 0.562 -7.626 218 HD13 LEU 27 HD13 LEU 27 -0.558 -0.687 -7.822 219 HD21 LEU 27 HD21 LEU 27 -0.223 -2.173 -6.378 220 HD22 LEU 27 HD22 LEU 27 -0.798 -2.143 -4.711 221 HD23 LEU 27 HD23 LEU 27 0.672 -1.274 -5.153 222 H CYS 28 HN CYS 28 -2.151 0.461 -2.901 223 HA CYS 28 HA CYS 28 -4.555 1.731 -2.012 224 HB2 CYS 28 HB2 CYS 28 -4.467 0.129 -0.209 225 HB3 CYS 28 HB1 CYS 28 -4.007 -0.689 -1.704 226 H LYS 29 HN LYS 29 -4.873 2.932 -0.166 227 HA LYS 29 HA LYS 29 -2.633 4.546 0.665 228 HB2 LYS 29 HB2 LYS 29 -5.577 4.654 1.308 229 HB3 LYS 29 HB1 LYS 29 -4.394 5.755 2.006 230 HG2 LYS 29 HG2 LYS 29 -4.212 5.588 -0.894 231 HG3 LYS 29 HG1 LYS 29 -5.790 6.145 -0.328 232 HD2 LYS 29 HD2 LYS 29 -3.529 7.373 1.067 233 HD3 LYS 29 HD1 LYS 29 -3.575 7.723 -0.662 234 HE2 LYS 29 HE2 LYS 29 -5.289 9.124 -0.413 235 HE3 LYS 29 HE1 LYS 29 -6.200 7.946 0.530 236 HZ1 LYS 29 HZ1 LYS 29 -3.992 9.216 1.917 237 HZ2 LYS 29 HZ2 LYS 29 -5.555 8.867 2.460 238 HZ3 LYS 29 HZ3 LYS 29 -5.277 10.242 1.516 239 H LYS 30 HN LYS 30 -5.137 2.685 2.348 240 HA LYS 30 HA LYS 30 -3.637 2.702 4.794 241 HB2 LYS 30 HB2 LYS 30 -6.010 2.927 4.930 242 HB3 LYS 30 HB1 LYS 30 -6.257 1.437 4.028 243 HG2 LYS 30 HG2 LYS 30 -6.662 0.840 6.239 244 HG3 LYS 30 HG1 LYS 30 -5.011 0.290 5.938 245 HD2 LYS 30 HD2 LYS 30 -4.494 1.395 7.811 246 HD3 LYS 30 HD1 LYS 30 -4.614 2.846 6.814 247 HE2 LYS 30 HE2 LYS 30 -7.074 2.891 7.423 248 HE3 LYS 30 HE1 LYS 30 -6.702 1.657 8.627 249 HZ1 LYS 30 HZ1 LYS 30 -6.613 3.724 9.724 250 HZ2 LYS 30 HZ2 LYS 30 -5.681 4.435 8.505 251 HZ3 LYS 30 HZ3 LYS 30 -5.001 3.256 9.509 252 H THR 31 HN THR 31 -4.845 0.013 2.729 253 HA THR 31 HA THR 31 -3.831 -2.059 4.187 254 HB THR 31 HB THR 31 -3.902 -1.904 1.176 255 HG1 THR 31 HG1 THR 31 -5.918 -3.070 1.616 256 HG21 THR 31 HG21 THR 31 -2.578 -3.811 2.202 257 HG22 THR 31 HG22 THR 31 -3.895 -4.238 1.108 258 HG23 THR 31 HG23 THR 31 -4.116 -4.373 2.851 259 H CYS 32 HN CYS 32 -1.987 0.121 2.205 260 HA CYS 32 HA CYS 32 0.361 -1.549 2.146 261 HB2 CYS 32 HB2 CYS 32 0.180 0.041 0.379 262 HB3 CYS 32 HB1 CYS 32 -0.051 1.375 1.502 263 H GLY 33 HN GLY 33 -1.083 0.416 4.465 264 HA2 GLY 33 HA2 GLY 33 -0.437 0.583 6.706 265 HA3 GLY 33 HA1 GLY 33 1.162 0.010 6.265 266 H THR 34 HN THR 34 -0.780 2.814 5.196 267 HA THR 34 HA THR 34 1.255 4.581 6.333 268 HB THR 34 HB THR 34 2.009 4.353 4.067 269 HG1 THR 34 HG1 THR 34 2.305 6.410 4.374 270 HG21 THR 34 HG21 THR 34 0.000 3.531 2.988 271 HG22 THR 34 HG22 THR 34 0.650 4.934 2.140 272 HG23 THR 34 HG23 THR 34 -0.759 5.112 3.186 273 H CYS 35 HN CYS 35 -1.964 4.199 4.946 274 HA CYS 35 HA CYS 35 -2.910 6.800 5.322 275 HB2 CYS 35 HB2 CYS 35 -3.983 4.545 4.305 276 HB3 CYS 35 HB1 CYS 35 -4.821 4.602 5.848 Start of MODEL 16 1 H1 ALA 2 HT1 ALA 2 -12.535 6.414 6.376 2 H2 ALA 2 HT2 ALA 2 -11.735 5.409 5.237 3 H3 ALA 2 HT3 ALA 2 -12.957 6.496 4.717 4 HA ALA 2 HA ALA 2 -11.671 8.323 5.015 5 HB1 ALA 2 HB1 ALA 2 -10.089 8.584 6.598 6 HB2 ALA 2 HB2 ALA 2 -9.380 6.996 6.305 7 HB3 ALA 2 HB3 ALA 2 -10.835 7.144 7.290 8 H CYS 3 HN CYS 3 -9.801 5.292 4.764 9 HA CYS 3 HA CYS 3 -8.782 6.257 2.171 10 HB2 CYS 3 HB2 CYS 3 -7.437 4.612 4.309 11 HB3 CYS 3 HB1 CYS 3 -6.832 4.677 2.658 12 H LYS 4 HN LYS 4 -7.838 4.213 0.929 13 HA LYS 4 HA LYS 4 -9.590 1.903 1.183 14 HB2 LYS 4 HB2 LYS 4 -9.530 3.720 -1.218 15 HB3 LYS 4 HB1 LYS 4 -10.025 2.038 -1.344 16 HG2 LYS 4 HG2 LYS 4 -11.487 3.081 0.795 17 HG3 LYS 4 HG1 LYS 4 -11.521 4.325 -0.455 18 HD2 LYS 4 HD2 LYS 4 -11.971 2.068 -1.914 19 HD3 LYS 4 HD1 LYS 4 -12.774 1.672 -0.393 20 HE2 LYS 4 HE2 LYS 4 -13.945 3.887 -0.551 21 HE3 LYS 4 HE1 LYS 4 -13.276 4.050 -2.174 22 HZ1 LYS 4 HZ1 LYS 4 -15.191 3.053 -2.744 23 HZ2 LYS 4 HZ2 LYS 4 -15.431 2.359 -1.220 24 HZ3 LYS 4 HZ3 LYS 4 -14.376 1.630 -2.324 25 H ASP 5 HN ASP 5 -8.982 0.270 -0.643 26 HA ASP 5 HA ASP 5 -6.064 0.297 -0.912 27 HB2 ASP 5 HB2 ASP 5 -6.084 -2.133 -0.654 28 HB3 ASP 5 HB1 ASP 5 -6.802 -1.340 0.740 29 H TYR 6 HN TYR 6 -5.344 0.319 -2.889 30 HA TYR 6 HA TYR 6 -7.004 -0.005 -5.170 31 HB2 TYR 6 HB2 TYR 6 -4.184 0.664 -4.627 32 HB3 TYR 6 HB1 TYR 6 -4.451 -0.173 -6.151 33 HD1 TYR 6 HD1 TYR 6 -6.405 2.433 -4.311 34 HD2 TYR 6 HD2 TYR 6 -4.390 1.334 -7.893 35 HE1 TYR 6 HE1 TYR 6 -7.111 4.547 -5.351 36 HE2 TYR 6 HE2 TYR 6 -5.088 3.445 -8.942 37 HH TYR 6 HH TYR 6 -6.982 5.120 -8.624 38 H LEU 7 HN LEU 7 -5.412 -2.221 -3.159 39 HA LEU 7 HA LEU 7 -6.000 -4.395 -5.003 40 HB2 LEU 7 HB2 LEU 7 -3.276 -3.617 -4.086 41 HB3 LEU 7 HB1 LEU 7 -3.629 -5.305 -4.244 42 HG LEU 7 HG LEU 7 -4.351 -3.622 -6.556 43 HD11 LEU 7 HD11 LEU 7 -1.573 -3.973 -5.557 44 HD12 LEU 7 HD12 LEU 7 -2.324 -2.580 -6.335 45 HD13 LEU 7 HD13 LEU 7 -1.875 -3.991 -7.293 46 HD21 LEU 7 HD21 LEU 7 -2.831 -5.831 -7.317 47 HD22 LEU 7 HD22 LEU 7 -4.586 -5.673 -7.372 48 HD23 LEU 7 HD23 LEU 7 -3.810 -6.388 -5.962 49 HA PRO 8 HA PRO 8 -6.814 -6.526 -1.217 50 HB2 PRO 8 HB2 PRO 8 -6.130 -9.059 -1.588 51 HB3 PRO 8 HB1 PRO 8 -7.363 -8.297 -2.603 52 HG2 PRO 8 HG2 PRO 8 -4.504 -8.863 -3.185 53 HG3 PRO 8 HG1 PRO 8 -5.918 -9.022 -4.239 54 HD2 PRO 8 HD2 PRO 8 -4.151 -6.886 -4.219 55 HD3 PRO 8 HD1 PRO 8 -5.763 -6.826 -4.920 56 H LYS 9 HN LYS 9 -6.016 -7.786 0.576 57 HA LYS 9 HA LYS 9 -3.805 -6.677 1.786 58 HB2 LYS 9 HB2 LYS 9 -4.914 -9.419 2.390 59 HB3 LYS 9 HB1 LYS 9 -4.014 -8.381 3.487 60 HG2 LYS 9 HG2 LYS 9 -6.402 -7.119 2.379 61 HG3 LYS 9 HG1 LYS 9 -6.734 -8.562 3.340 62 HD2 LYS 9 HD2 LYS 9 -4.810 -6.588 4.442 63 HD3 LYS 9 HD1 LYS 9 -6.518 -6.145 4.431 64 HE2 LYS 9 HE2 LYS 9 -5.773 -8.841 5.437 65 HE3 LYS 9 HE1 LYS 9 -5.421 -7.448 6.459 66 HZ1 LYS 9 HZ1 LYS 9 -7.579 -8.327 6.989 67 HZ2 LYS 9 HZ2 LYS 9 -8.079 -8.210 5.377 68 HZ3 LYS 9 HZ3 LYS 9 -7.769 -6.807 6.269 69 H SER 10 HN SER 10 -3.891 -9.292 -0.476 70 HA SER 10 HA SER 10 -1.344 -10.392 0.244 71 HB2 SER 10 HB2 SER 10 -2.676 -10.777 -2.426 72 HB3 SER 10 HB1 SER 10 -1.650 -11.899 -1.532 73 HG SER 10 HG SER 10 -3.837 -12.493 -1.375 74 H GLU 11 HN GLU 11 -2.383 -7.746 -1.727 75 HA GLU 11 HA GLU 11 0.175 -7.654 -3.152 76 HB2 GLU 11 HB2 GLU 11 -2.537 -6.718 -3.596 77 HB3 GLU 11 HB1 GLU 11 -1.358 -5.458 -3.903 78 HG2 GLU 11 HG2 GLU 11 -0.651 -8.026 -5.091 79 HG3 GLU 11 HG1 GLU 11 -2.192 -7.384 -5.669 80 H CYS 12 HN CYS 12 -1.796 -5.828 -0.905 81 HA CYS 12 HA CYS 12 0.289 -3.800 -0.677 82 HB2 CYS 12 HB2 CYS 12 -2.613 -3.938 -0.065 83 HB3 CYS 12 HB1 CYS 12 -1.632 -2.816 0.888 84 H THR 13 HN THR 13 1.836 -4.332 0.673 85 HA THR 13 HA THR 13 1.088 -5.483 3.282 86 HB THR 13 HB THR 13 3.470 -6.429 3.240 87 HG1 THR 13 HG1 THR 13 4.347 -6.660 1.149 88 HG21 THR 13 HG21 THR 13 1.817 -7.531 0.988 89 HG22 THR 13 HG22 THR 13 1.349 -7.739 2.679 90 HG23 THR 13 HG23 THR 13 2.886 -8.386 2.105 91 H GLN 14 HN GLN 14 2.035 -4.600 5.119 92 HA GLN 14 HA GLN 14 2.643 -1.916 5.187 93 HB2 GLN 14 HB2 GLN 14 3.471 -4.159 7.025 94 HB3 GLN 14 HB1 GLN 14 3.867 -2.480 7.367 95 HG2 GLN 14 HG2 GLN 14 1.923 -2.867 8.580 96 HG3 GLN 14 HG1 GLN 14 1.368 -2.023 7.136 97 HE21 GLN 14 HE21 GLN 14 0.095 -3.096 5.652 98 HE22 GLN 14 HE22 GLN 14 -0.590 -4.652 5.956 99 H PHE 15 HN PHE 15 4.652 -4.609 4.400 100 HA PHE 15 HA PHE 15 7.200 -3.477 4.603 101 HB2 PHE 15 HB2 PHE 15 5.943 -5.794 3.336 102 HB3 PHE 15 HB1 PHE 15 7.334 -5.203 2.446 103 HD1 PHE 15 HD1 PHE 15 9.521 -4.942 3.704 104 HD2 PHE 15 HD2 PHE 15 6.194 -7.093 5.256 105 HE1 PHE 15 HE1 PHE 15 11.013 -6.104 5.271 106 HE2 PHE 15 HE2 PHE 15 7.681 -8.262 6.831 107 HZ PHE 15 HZ PHE 15 10.095 -7.768 6.840 108 H ARG 16 HN ARG 16 4.798 -3.412 2.033 109 HA ARG 16 HA ARG 16 6.325 -2.293 -0.007 110 HB2 ARG 16 HB2 ARG 16 3.396 -1.773 0.508 111 HB3 ARG 16 HB1 ARG 16 4.230 -1.667 -1.028 112 HG2 ARG 16 HG2 ARG 16 3.862 -4.174 0.566 113 HG3 ARG 16 HG1 ARG 16 2.898 -3.698 -0.830 114 HD2 ARG 16 HD2 ARG 16 4.808 -3.834 -2.271 115 HD3 ARG 16 HD1 ARG 16 5.887 -4.074 -0.897 116 HE ARG 16 HE ARG 16 3.840 -6.084 -1.156 117 HH11 ARG 16 HH11 ARG 16 7.062 -5.125 -2.094 118 HH12 ARG 16 HH12 ARG 16 7.576 -6.741 -2.443 119 HH21 ARG 16 HH21 ARG 16 4.514 -8.209 -1.614 120 HH22 ARG 16 HH22 ARG 16 6.130 -8.492 -2.171 121 H CYS 17 HN CYS 17 4.389 -0.630 2.485 122 HA CYS 17 HA CYS 17 5.040 1.960 1.536 123 HB2 CYS 17 HB2 CYS 17 3.867 0.896 4.068 124 HB3 CYS 17 HB1 CYS 17 4.399 2.570 3.994 125 H ARG 18 HN ARG 18 6.707 -0.315 3.486 126 HA ARG 18 HA ARG 18 8.424 1.416 4.902 127 HB2 ARG 18 HB2 ARG 18 8.066 -1.352 4.674 128 HB3 ARG 18 HB1 ARG 18 9.732 -1.049 4.151 129 HG2 ARG 18 HG2 ARG 18 10.387 -0.770 6.253 130 HG3 ARG 18 HG1 ARG 18 9.137 0.439 6.549 131 HD2 ARG 18 HD2 ARG 18 8.310 -2.410 6.471 132 HD3 ARG 18 HD1 ARG 18 9.235 -1.868 7.871 133 HE ARG 18 HE ARG 18 7.060 -0.119 7.275 134 HH11 ARG 18 HH11 ARG 18 7.888 -3.142 8.810 135 HH12 ARG 18 HH12 ARG 18 6.540 -3.104 9.896 136 HH21 ARG 18 HH21 ARG 18 5.287 -0.067 8.703 137 HH22 ARG 18 HH22 ARG 18 5.062 -1.358 9.835 138 H THR 19 HN THR 19 8.859 -0.414 1.977 139 HA THR 19 HA THR 19 11.230 1.185 1.349 140 HB THR 19 HB THR 19 11.773 -1.031 1.875 141 HG1 THR 19 HG1 THR 19 12.648 -0.172 -0.177 142 HG21 THR 19 HG21 THR 19 10.795 -2.978 0.747 143 HG22 THR 19 HG22 THR 19 9.596 -1.910 0.012 144 HG23 THR 19 HG23 THR 19 9.662 -2.086 1.770 145 H SER 20 HN SER 20 8.218 -0.062 0.034 146 HA SER 20 HA SER 20 8.838 1.045 -2.602 147 HB2 SER 20 HB2 SER 20 6.255 -0.325 -1.929 148 HB3 SER 20 HB1 SER 20 7.119 -0.271 -3.465 149 HG SER 20 HG SER 20 8.522 -1.776 -2.747 150 H MET 21 HN MET 21 8.361 3.102 -2.976 151 HA MET 21 HA MET 21 6.466 4.543 -1.362 152 HB2 MET 21 HB2 MET 21 8.525 5.188 -3.350 153 HB3 MET 21 HB1 MET 21 7.118 6.239 -3.415 154 HG2 MET 21 HG2 MET 21 8.243 7.409 -1.876 155 HG3 MET 21 HG1 MET 21 7.565 6.221 -0.765 156 HE1 MET 21 HE1 MET 21 11.650 7.334 -0.507 157 HE2 MET 21 HE2 MET 21 10.079 8.134 -0.454 158 HE3 MET 21 HE3 MET 21 10.871 7.846 -2.004 159 H LYS 22 HN LYS 22 6.457 3.038 -4.503 160 HA LYS 22 HA LYS 22 4.256 4.432 -5.607 161 HB2 LYS 22 HB2 LYS 22 5.912 3.102 -6.906 162 HB3 LYS 22 HB1 LYS 22 5.193 1.635 -6.257 163 HG2 LYS 22 HG2 LYS 22 3.235 3.405 -7.476 164 HG3 LYS 22 HG1 LYS 22 4.492 2.888 -8.599 165 HD2 LYS 22 HD2 LYS 22 3.921 0.550 -7.349 166 HD3 LYS 22 HD1 LYS 22 2.344 1.342 -7.312 167 HE2 LYS 22 HE2 LYS 22 2.098 0.507 -9.377 168 HE3 LYS 22 HE1 LYS 22 3.154 1.830 -9.870 169 HZ1 LYS 22 HZ1 LYS 22 4.369 -0.686 -8.975 170 HZ2 LYS 22 HZ2 LYS 22 4.939 0.444 -10.098 171 HZ3 LYS 22 HZ3 LYS 22 3.695 -0.619 -10.526 172 H TYR 23 HN TYR 23 4.471 1.433 -3.749 173 HA TYR 23 HA TYR 23 1.770 0.660 -4.051 174 HB2 TYR 23 HB2 TYR 23 3.923 -0.044 -2.084 175 HB3 TYR 23 HB1 TYR 23 2.292 -0.683 -1.917 176 HD1 TYR 23 HD1 TYR 23 4.498 -0.156 -4.882 177 HD2 TYR 23 HD2 TYR 23 2.292 -2.902 -2.504 178 HE1 TYR 23 HE1 TYR 23 5.058 -1.963 -6.458 179 HE2 TYR 23 HE2 TYR 23 2.844 -4.715 -4.063 180 HH TYR 23 HH TYR 23 3.498 -4.948 -6.462 181 H ARG 24 HN ARG 24 3.306 2.940 -1.981 182 HA ARG 24 HA ARG 24 1.296 2.946 0.056 183 HB2 ARG 24 HB2 ARG 24 2.945 5.365 -0.235 184 HB3 ARG 24 HB1 ARG 24 2.653 4.369 1.177 185 HG2 ARG 24 HG2 ARG 24 4.222 2.681 0.136 186 HG3 ARG 24 HG1 ARG 24 4.649 3.942 -1.018 187 HD2 ARG 24 HD2 ARG 24 5.316 5.403 0.826 188 HD3 ARG 24 HD1 ARG 24 4.906 4.134 1.979 189 HE ARG 24 HE ARG 24 6.671 2.834 0.537 190 HH11 ARG 24 HH11 ARG 24 6.804 6.154 1.640 191 HH12 ARG 24 HH12 ARG 24 8.533 6.199 1.680 192 HH21 ARG 24 HH21 ARG 24 8.944 2.904 0.602 193 HH22 ARG 24 HH22 ARG 24 9.747 4.357 1.092 194 H LEU 25 HN LEU 25 2.201 5.474 -2.282 195 HA LEU 25 HA LEU 25 -0.384 6.745 -1.859 196 HB2 LEU 25 HB2 LEU 25 1.861 7.704 -3.614 197 HB3 LEU 25 HB1 LEU 25 0.550 8.649 -2.927 198 HG LEU 25 HG LEU 25 2.259 9.276 -1.536 199 HD11 LEU 25 HD11 LEU 25 1.656 8.580 0.515 200 HD12 LEU 25 HD12 LEU 25 1.887 6.876 0.128 201 HD13 LEU 25 HD13 LEU 25 0.405 7.700 -0.359 202 HD21 LEU 25 HD21 LEU 25 4.240 8.326 -1.815 203 HD22 LEU 25 HD22 LEU 25 3.501 6.892 -2.523 204 HD23 LEU 25 HD23 LEU 25 3.719 7.000 -0.776 205 H ASN 26 HN ASN 26 1.485 5.375 -4.541 206 HA ASN 26 HA ASN 26 -0.445 6.030 -6.518 207 HB2 ASN 26 HB2 ASN 26 2.125 5.324 -6.620 208 HB3 ASN 26 HB1 ASN 26 1.402 3.750 -6.957 209 HD21 ASN 26 HD21 ASN 26 2.311 6.729 -8.228 210 HD22 ASN 26 HD22 ASN 26 1.588 6.570 -9.788 211 H LEU 27 HN LEU 27 0.150 3.135 -4.580 212 HA LEU 27 HA LEU 27 -2.094 1.787 -5.869 213 HB2 LEU 27 HB2 LEU 27 0.299 0.841 -5.089 214 HB3 LEU 27 HB1 LEU 27 -0.623 0.504 -3.641 215 HG LEU 27 HG LEU 27 -2.297 -0.651 -5.231 216 HD11 LEU 27 HD11 LEU 27 -1.761 -0.273 -7.387 217 HD12 LEU 27 HD12 LEU 27 -0.679 -1.644 -7.142 218 HD13 LEU 27 HD13 LEU 27 -0.056 0.002 -7.028 219 HD21 LEU 27 HD21 LEU 27 -1.409 -2.344 -4.093 220 HD22 LEU 27 HD22 LEU 27 0.153 -1.532 -3.983 221 HD23 LEU 27 HD23 LEU 27 -0.232 -2.515 -5.395 222 H CYS 28 HN CYS 28 -2.109 0.438 -2.893 223 HA CYS 28 HA CYS 28 -4.489 1.812 -2.104 224 HB2 CYS 28 HB2 CYS 28 -4.401 0.305 -0.173 225 HB3 CYS 28 HB1 CYS 28 -4.116 -0.581 -1.674 226 H LYS 29 HN LYS 29 -4.811 3.089 -0.319 227 HA LYS 29 HA LYS 29 -2.555 4.684 0.503 228 HB2 LYS 29 HB2 LYS 29 -5.486 4.875 1.210 229 HB3 LYS 29 HB1 LYS 29 -4.255 6.039 1.687 230 HG2 LYS 29 HG2 LYS 29 -4.088 5.660 -1.128 231 HG3 LYS 29 HG1 LYS 29 -5.775 5.955 -0.698 232 HD2 LYS 29 HD2 LYS 29 -5.302 8.127 -0.590 233 HD3 LYS 29 HD1 LYS 29 -4.283 7.787 0.810 234 HE2 LYS 29 HE2 LYS 29 -2.698 8.743 -0.491 235 HE3 LYS 29 HE1 LYS 29 -2.582 7.109 -1.143 236 HZ1 LYS 29 HZ1 LYS 29 -2.775 8.987 -2.800 237 HZ2 LYS 29 HZ2 LYS 29 -4.387 9.142 -2.312 238 HZ3 LYS 29 HZ3 LYS 29 -3.849 7.696 -3.006 239 H LYS 30 HN LYS 30 -5.118 2.908 2.181 240 HA LYS 30 HA LYS 30 -3.674 2.973 4.658 241 HB2 LYS 30 HB2 LYS 30 -6.051 3.220 4.726 242 HB3 LYS 30 HB1 LYS 30 -6.283 1.702 3.866 243 HG2 LYS 30 HG2 LYS 30 -6.721 1.104 6.046 244 HG3 LYS 30 HG1 LYS 30 -5.020 0.661 5.869 245 HD2 LYS 30 HD2 LYS 30 -4.302 2.308 7.249 246 HD3 LYS 30 HD1 LYS 30 -5.599 3.411 6.784 247 HE2 LYS 30 HE2 LYS 30 -6.495 2.932 8.777 248 HE3 LYS 30 HE1 LYS 30 -6.960 1.395 8.049 249 HZ1 LYS 30 HZ1 LYS 30 -5.289 0.282 9.106 250 HZ2 LYS 30 HZ2 LYS 30 -5.610 1.471 10.265 251 HZ3 LYS 30 HZ3 LYS 30 -4.285 1.639 9.227 252 H THR 31 HN THR 31 -4.911 0.232 2.682 253 HA THR 31 HA THR 31 -3.926 -1.797 4.210 254 HB THR 31 HB THR 31 -4.010 -1.766 1.197 255 HG1 THR 31 HG1 THR 31 -6.056 -2.864 1.701 256 HG21 THR 31 HG21 THR 31 -2.732 -3.660 2.299 257 HG22 THR 31 HG22 THR 31 -4.068 -4.102 1.234 258 HG23 THR 31 HG23 THR 31 -4.279 -4.152 2.982 259 H CYS 32 HN CYS 32 -2.040 0.231 2.093 260 HA CYS 32 HA CYS 32 0.256 -1.500 2.101 261 HB2 CYS 32 HB2 CYS 32 0.162 0.023 0.287 262 HB3 CYS 32 HB1 CYS 32 -0.087 1.404 1.349 263 H GLY 33 HN GLY 33 -1.118 0.565 4.370 264 HA2 GLY 33 HA2 GLY 33 -0.464 0.794 6.600 265 HA3 GLY 33 HA1 GLY 33 1.105 0.125 6.184 266 H THR 34 HN THR 34 -0.734 2.995 5.108 267 HA THR 34 HA THR 34 1.423 4.690 6.123 268 HB THR 34 HB THR 34 2.150 4.499 3.893 269 HG1 THR 34 HG1 THR 34 2.217 6.555 3.536 270 HG21 THR 34 HG21 THR 34 0.874 4.541 1.951 271 HG22 THR 34 HG22 THR 34 -0.545 5.161 2.792 272 HG23 THR 34 HG23 THR 34 -0.022 3.496 3.052 273 H CYS 35 HN CYS 35 -1.844 4.417 4.839 274 HA CYS 35 HA CYS 35 -2.776 6.986 5.052 275 HB2 CYS 35 HB2 CYS 35 -4.162 5.164 4.218 276 HB3 CYS 35 HB1 CYS 35 -4.226 4.447 5.824 Start of MODEL 17 1 H1 ALA 2 HT1 ALA 2 -11.426 9.349 4.354 2 H2 ALA 2 HT2 ALA 2 -10.077 8.353 4.722 3 H3 ALA 2 HT3 ALA 2 -11.306 8.605 5.894 4 HA ALA 2 HA ALA 2 -11.816 6.568 5.129 5 HB1 ALA 2 HB1 ALA 2 -13.901 6.823 4.227 6 HB2 ALA 2 HB2 ALA 2 -13.370 8.035 3.060 7 HB3 ALA 2 HB3 ALA 2 -13.591 8.478 4.753 8 H CYS 3 HN CYS 3 -9.430 6.564 4.087 9 HA CYS 3 HA CYS 3 -9.360 6.497 1.228 10 HB2 CYS 3 HB2 CYS 3 -7.082 5.697 1.491 11 HB3 CYS 3 HB1 CYS 3 -7.372 7.021 2.613 12 H LYS 4 HN LYS 4 -8.001 4.242 0.543 13 HA LYS 4 HA LYS 4 -9.302 1.878 1.530 14 HB2 LYS 4 HB2 LYS 4 -10.228 3.210 -0.961 15 HB3 LYS 4 HB1 LYS 4 -10.074 1.458 -0.998 16 HG2 LYS 4 HG2 LYS 4 -11.412 1.856 1.346 17 HG3 LYS 4 HG1 LYS 4 -12.053 3.148 0.329 18 HD2 LYS 4 HD2 LYS 4 -12.201 1.165 -1.432 19 HD3 LYS 4 HD1 LYS 4 -12.292 0.200 0.043 20 HE2 LYS 4 HE2 LYS 4 -14.511 0.631 -0.277 21 HE3 LYS 4 HE1 LYS 4 -14.075 2.023 0.713 22 HZ1 LYS 4 HZ1 LYS 4 -15.158 3.055 -0.982 23 HZ2 LYS 4 HZ2 LYS 4 -14.723 1.900 -2.138 24 HZ3 LYS 4 HZ3 LYS 4 -13.597 3.058 -1.636 25 H ASP 5 HN ASP 5 -8.846 0.042 -0.235 26 HA ASP 5 HA ASP 5 -5.986 0.239 -0.815 27 HB2 ASP 5 HB2 ASP 5 -5.934 -2.194 -0.603 28 HB3 ASP 5 HB1 ASP 5 -6.638 -1.466 0.834 29 H TYR 6 HN TYR 6 -5.365 0.244 -2.841 30 HA TYR 6 HA TYR 6 -7.221 0.002 -5.001 31 HB2 TYR 6 HB2 TYR 6 -4.895 1.344 -4.697 32 HB3 TYR 6 HB1 TYR 6 -4.314 -0.058 -5.592 33 HD1 TYR 6 HD1 TYR 6 -5.517 -0.618 -7.796 34 HD2 TYR 6 HD2 TYR 6 -5.908 3.125 -5.813 35 HE1 TYR 6 HE1 TYR 6 -6.289 0.406 -9.894 36 HE2 TYR 6 HE2 TYR 6 -6.682 4.160 -7.905 37 HH TYR 6 HH TYR 6 -7.762 3.428 -10.032 38 H LEU 7 HN LEU 7 -5.647 -2.304 -3.200 39 HA LEU 7 HA LEU 7 -6.177 -4.363 -5.165 40 HB2 LEU 7 HB2 LEU 7 -3.429 -3.601 -4.282 41 HB3 LEU 7 HB1 LEU 7 -3.780 -5.272 -4.608 42 HG LEU 7 HG LEU 7 -4.506 -3.315 -6.711 43 HD11 LEU 7 HD11 LEU 7 -2.455 -2.399 -6.619 44 HD12 LEU 7 HD12 LEU 7 -1.969 -3.892 -7.425 45 HD13 LEU 7 HD13 LEU 7 -1.790 -3.733 -5.677 46 HD21 LEU 7 HD21 LEU 7 -3.128 -5.483 -7.758 47 HD22 LEU 7 HD22 LEU 7 -4.879 -5.279 -7.696 48 HD23 LEU 7 HD23 LEU 7 -4.048 -6.160 -6.414 49 HA PRO 8 HA PRO 8 -6.910 -7.105 -1.794 50 HB2 PRO 8 HB2 PRO 8 -4.554 -8.763 -2.534 51 HB3 PRO 8 HB1 PRO 8 -6.236 -9.244 -2.263 52 HG2 PRO 8 HG2 PRO 8 -5.350 -9.094 -4.702 53 HG3 PRO 8 HG1 PRO 8 -6.935 -8.398 -4.303 54 HD2 PRO 8 HD2 PRO 8 -4.296 -6.989 -4.659 55 HD3 PRO 8 HD1 PRO 8 -5.880 -6.552 -5.331 56 H LYS 9 HN LYS 9 -6.100 -8.089 0.089 57 HA LYS 9 HA LYS 9 -4.538 -6.342 1.643 58 HB2 LYS 9 HB2 LYS 9 -5.133 -9.247 2.225 59 HB3 LYS 9 HB1 LYS 9 -4.674 -8.019 3.395 60 HG2 LYS 9 HG2 LYS 9 -7.122 -7.632 1.736 61 HG3 LYS 9 HG1 LYS 9 -7.165 -8.712 3.131 62 HD2 LYS 9 HD2 LYS 9 -5.979 -6.605 4.268 63 HD3 LYS 9 HD1 LYS 9 -6.889 -5.764 3.011 64 HE2 LYS 9 HE2 LYS 9 -8.758 -7.491 3.991 65 HE3 LYS 9 HE1 LYS 9 -7.825 -7.116 5.439 66 HZ1 LYS 9 HZ1 LYS 9 -8.466 -4.953 5.407 67 HZ2 LYS 9 HZ2 LYS 9 -9.827 -5.623 4.658 68 HZ3 LYS 9 HZ3 LYS 9 -8.623 -4.887 3.724 69 H SER 10 HN SER 10 -3.625 -8.877 -0.481 70 HA SER 10 HA SER 10 -1.051 -9.339 0.750 71 HB2 SER 10 HB2 SER 10 -2.142 -10.315 -1.897 72 HB3 SER 10 HB1 SER 10 -0.674 -10.890 -1.107 73 HG SER 10 HG SER 10 -1.890 -11.796 0.493 74 H GLU 11 HN GLU 11 -2.283 -7.674 -2.145 75 HA GLU 11 HA GLU 11 0.180 -7.100 -3.333 76 HB2 GLU 11 HB2 GLU 11 -2.577 -6.258 -3.587 77 HB3 GLU 11 HB1 GLU 11 -1.474 -4.911 -3.866 78 HG2 GLU 11 HG2 GLU 11 -0.948 -7.512 -5.220 79 HG3 GLU 11 HG1 GLU 11 -2.262 -6.496 -5.807 80 H CYS 12 HN CYS 12 -1.639 -5.383 -0.880 81 HA CYS 12 HA CYS 12 0.548 -3.437 -0.701 82 HB2 CYS 12 HB2 CYS 12 -1.464 -2.502 0.977 83 HB3 CYS 12 HB1 CYS 12 -1.104 -1.947 -0.655 84 H THR 13 HN THR 13 2.029 -4.232 0.553 85 HA THR 13 HA THR 13 1.242 -5.406 3.134 86 HB THR 13 HB THR 13 3.638 -6.362 3.002 87 HG1 THR 13 HG1 THR 13 4.726 -6.050 1.244 88 HG21 THR 13 HG21 THR 13 2.997 -8.258 1.783 89 HG22 THR 13 HG22 THR 13 1.879 -7.339 0.772 90 HG23 THR 13 HG23 THR 13 1.495 -7.639 2.469 91 H GLN 14 HN GLN 14 2.398 -4.789 5.014 92 HA GLN 14 HA GLN 14 2.983 -2.116 5.344 93 HB2 GLN 14 HB2 GLN 14 4.375 -4.323 6.868 94 HB3 GLN 14 HB1 GLN 14 4.012 -2.697 7.432 95 HG2 GLN 14 HG2 GLN 14 2.086 -4.951 6.940 96 HG3 GLN 14 HG1 GLN 14 2.470 -4.162 8.469 97 HE21 GLN 14 HE21 GLN 14 0.458 -4.174 5.732 98 HE22 GLN 14 HE22 GLN 14 -0.424 -2.730 6.078 99 H PHE 15 HN PHE 15 4.871 -4.648 3.998 100 HA PHE 15 HA PHE 15 7.438 -3.489 4.104 101 HB2 PHE 15 HB2 PHE 15 6.102 -5.753 2.803 102 HB3 PHE 15 HB1 PHE 15 7.421 -5.088 1.860 103 HD1 PHE 15 HD1 PHE 15 9.649 -4.685 3.218 104 HD2 PHE 15 HD2 PHE 15 6.545 -7.358 4.372 105 HE1 PHE 15 HE1 PHE 15 11.247 -5.934 4.610 106 HE2 PHE 15 HE2 PHE 15 8.137 -8.612 5.766 107 HZ PHE 15 HZ PHE 15 10.491 -7.900 5.888 108 H ARG 16 HN ARG 16 5.062 -3.683 1.435 109 HA ARG 16 HA ARG 16 6.377 -2.160 -0.456 110 HB2 ARG 16 HB2 ARG 16 3.402 -2.193 0.083 111 HB3 ARG 16 HB1 ARG 16 4.164 -1.665 -1.407 112 HG2 ARG 16 HG2 ARG 16 4.488 -4.434 -0.321 113 HG3 ARG 16 HG1 ARG 16 3.173 -3.975 -1.402 114 HD2 ARG 16 HD2 ARG 16 4.665 -4.664 -2.971 115 HD3 ARG 16 HD1 ARG 16 5.222 -3.000 -2.803 116 HE ARG 16 HE ARG 16 6.550 -4.700 -0.963 117 HH11 ARG 16 HH11 ARG 16 6.469 -3.826 -4.341 118 HH12 ARG 16 HH12 ARG 16 8.130 -4.234 -4.614 119 HH21 ARG 16 HH21 ARG 16 8.734 -5.236 -1.321 120 HH22 ARG 16 HH22 ARG 16 9.416 -5.035 -2.901 121 H CYS 17 HN CYS 17 4.063 -0.987 1.979 122 HA CYS 17 HA CYS 17 4.364 1.729 1.297 123 HB2 CYS 17 HB2 CYS 17 2.703 0.308 2.946 124 HB3 CYS 17 HB1 CYS 17 3.667 1.225 4.088 125 H ARG 18 HN ARG 18 6.496 -0.393 2.802 126 HA ARG 18 HA ARG 18 7.812 1.548 4.490 127 HB2 ARG 18 HB2 ARG 18 7.706 -1.245 4.381 128 HB3 ARG 18 HB1 ARG 18 9.369 -0.822 3.939 129 HG2 ARG 18 HG2 ARG 18 7.917 0.047 6.448 130 HG3 ARG 18 HG1 ARG 18 9.135 -1.226 6.337 131 HD2 ARG 18 HD2 ARG 18 10.703 0.532 5.422 132 HD3 ARG 18 HD1 ARG 18 9.495 1.729 5.890 133 HE ARG 18 HE ARG 18 9.952 0.221 8.143 134 HH11 ARG 18 HH11 ARG 18 11.877 2.204 6.013 135 HH12 ARG 18 HH12 ARG 18 12.997 2.666 7.250 136 HH21 ARG 18 HH21 ARG 18 11.426 0.827 9.773 137 HH22 ARG 18 HH22 ARG 18 12.742 1.884 9.384 138 H THR 19 HN THR 19 8.583 -0.355 1.686 139 HA THR 19 HA THR 19 10.856 1.405 1.129 140 HB THR 19 HB THR 19 11.508 -0.762 1.777 141 HG1 THR 19 HG1 THR 19 12.711 -0.097 0.008 142 HG21 THR 19 HG21 THR 19 10.760 -2.794 0.635 143 HG22 THR 19 HG22 THR 19 9.569 -1.832 -0.244 144 HG23 THR 19 HG23 THR 19 9.478 -1.956 1.517 145 H SER 20 HN SER 20 8.034 -0.126 -0.300 146 HA SER 20 HA SER 20 8.728 0.768 -2.971 147 HB2 SER 20 HB2 SER 20 7.595 -1.394 -2.665 148 HB3 SER 20 HB1 SER 20 6.211 -0.568 -1.950 149 HG SER 20 HG SER 20 6.385 -1.125 -4.398 150 H MET 21 HN MET 21 8.790 3.038 -2.627 151 HA MET 21 HA MET 21 6.919 4.685 -1.505 152 HB2 MET 21 HB2 MET 21 8.963 4.967 -3.587 153 HB3 MET 21 HB1 MET 21 7.664 6.145 -3.704 154 HG2 MET 21 HG2 MET 21 8.489 7.318 -2.025 155 HG3 MET 21 HG1 MET 21 8.522 5.899 -0.980 156 HE1 MET 21 HE1 MET 21 11.903 6.522 -0.022 157 HE2 MET 21 HE2 MET 21 11.275 4.885 -0.205 158 HE3 MET 21 HE3 MET 21 10.206 6.185 0.320 159 H LYS 22 HN LYS 22 6.863 3.469 -4.852 160 HA LYS 22 HA LYS 22 4.601 4.854 -5.708 161 HB2 LYS 22 HB2 LYS 22 6.119 3.589 -7.196 162 HB3 LYS 22 HB1 LYS 22 5.483 2.086 -6.544 163 HG2 LYS 22 HG2 LYS 22 3.376 3.824 -7.508 164 HG3 LYS 22 HG1 LYS 22 4.560 3.453 -8.763 165 HD2 LYS 22 HD2 LYS 22 4.018 1.052 -7.353 166 HD3 LYS 22 HD1 LYS 22 2.470 1.809 -7.731 167 HE2 LYS 22 HE2 LYS 22 3.762 2.126 -10.082 168 HE3 LYS 22 HE1 LYS 22 4.493 0.624 -9.516 169 HZ1 LYS 22 HZ1 LYS 22 1.602 0.797 -9.290 170 HZ2 LYS 22 HZ2 LYS 22 2.576 -0.503 -9.760 171 HZ3 LYS 22 HZ3 LYS 22 2.212 0.722 -10.867 172 H TYR 23 HN TYR 23 4.759 1.496 -4.536 173 HA TYR 23 HA TYR 23 2.085 0.880 -4.533 174 HB2 TYR 23 HB2 TYR 23 4.384 0.001 -2.836 175 HB3 TYR 23 HB1 TYR 23 2.761 -0.554 -2.441 176 HD1 TYR 23 HD1 TYR 23 4.421 -0.018 -5.727 177 HD2 TYR 23 HD2 TYR 23 2.650 -2.782 -3.032 178 HE1 TYR 23 HE1 TYR 23 4.628 -1.792 -7.424 179 HE2 TYR 23 HE2 TYR 23 2.850 -4.567 -4.710 180 HH TYR 23 HH TYR 23 4.524 -4.921 -6.830 181 H ARG 24 HN ARG 24 3.915 2.396 -1.912 182 HA ARG 24 HA ARG 24 2.113 2.443 0.116 183 HB2 ARG 24 HB2 ARG 24 3.448 5.044 -0.421 184 HB3 ARG 24 HB1 ARG 24 3.313 4.156 1.079 185 HG2 ARG 24 HG2 ARG 24 4.975 2.518 0.050 186 HG3 ARG 24 HG1 ARG 24 5.244 3.766 -1.161 187 HD2 ARG 24 HD2 ARG 24 5.914 5.341 0.509 188 HD3 ARG 24 HD1 ARG 24 5.474 4.228 1.800 189 HE ARG 24 HE ARG 24 7.339 2.834 0.446 190 HH11 ARG 24 HH11 ARG 24 7.267 6.095 1.704 191 HH12 ARG 24 HH12 ARG 24 8.977 6.170 1.964 192 HH21 ARG 24 HH21 ARG 24 9.599 2.943 0.791 193 HH22 ARG 24 HH22 ARG 24 10.298 4.380 1.452 194 H LEU 25 HN LEU 25 2.402 5.160 -2.149 195 HA LEU 25 HA LEU 25 -0.239 6.101 -1.364 196 HB2 LEU 25 HB2 LEU 25 1.689 7.410 -3.256 197 HB3 LEU 25 HB1 LEU 25 0.374 8.160 -2.364 198 HG LEU 25 HG LEU 25 2.116 8.858 -1.074 199 HD11 LEU 25 HD11 LEU 25 0.617 7.195 0.225 200 HD12 LEU 25 HD12 LEU 25 2.124 7.738 0.959 201 HD13 LEU 25 HD13 LEU 25 2.036 6.148 0.204 202 HD21 LEU 25 HD21 LEU 25 3.993 6.868 -0.694 203 HD22 LEU 25 HD22 LEU 25 4.123 8.235 -1.800 204 HD23 LEU 25 HD23 LEU 25 3.519 6.685 -2.383 205 H ASN 26 HN ASN 26 1.443 5.025 -4.257 206 HA ASN 26 HA ASN 26 -0.640 5.690 -6.054 207 HB2 ASN 26 HB2 ASN 26 1.893 5.190 -6.434 208 HB3 ASN 26 HB1 ASN 26 1.338 3.528 -6.637 209 HD21 ASN 26 HD21 ASN 26 0.900 6.821 -7.809 210 HD22 ASN 26 HD22 ASN 26 0.404 6.381 -9.405 211 H LEU 27 HN LEU 27 0.142 2.697 -4.315 212 HA LEU 27 HA LEU 27 -2.116 1.390 -5.619 213 HB2 LEU 27 HB2 LEU 27 0.233 0.456 -4.095 214 HB3 LEU 27 HB1 LEU 27 -1.237 -0.472 -3.873 215 HG LEU 27 HG LEU 27 -1.360 -0.596 -6.420 216 HD11 LEU 27 HD11 LEU 27 1.579 -0.016 -6.240 217 HD12 LEU 27 HD12 LEU 27 0.395 1.216 -6.675 218 HD13 LEU 27 HD13 LEU 27 0.583 -0.220 -7.681 219 HD21 LEU 27 HD21 LEU 27 0.991 -1.992 -5.178 220 HD22 LEU 27 HD22 LEU 27 -0.089 -2.577 -6.444 221 HD23 LEU 27 HD23 LEU 27 -0.681 -2.402 -4.791 222 H CYS 28 HN CYS 28 -1.687 0.217 -2.421 223 HA CYS 28 HA CYS 28 -4.277 1.339 -1.731 224 HB2 CYS 28 HB2 CYS 28 -2.593 -0.471 -0.012 225 HB3 CYS 28 HB1 CYS 28 -4.340 -0.258 0.018 226 H LYS 29 HN LYS 29 -4.698 2.624 0.018 227 HA LYS 29 HA LYS 29 -2.528 4.333 0.850 228 HB2 LYS 29 HB2 LYS 29 -5.506 4.407 1.141 229 HB3 LYS 29 HB1 LYS 29 -4.501 5.435 2.155 230 HG2 LYS 29 HG2 LYS 29 -4.065 5.435 -0.792 231 HG3 LYS 29 HG1 LYS 29 -5.442 6.311 -0.118 232 HD2 LYS 29 HD2 LYS 29 -2.621 6.679 0.866 233 HD3 LYS 29 HD1 LYS 29 -3.321 7.651 -0.430 234 HE2 LYS 29 HE2 LYS 29 -5.250 7.960 1.367 235 HE3 LYS 29 HE1 LYS 29 -3.922 7.631 2.479 236 HZ1 LYS 29 HZ1 LYS 29 -4.407 9.951 0.810 237 HZ2 LYS 29 HZ2 LYS 29 -2.800 9.426 0.860 238 HZ3 LYS 29 HZ3 LYS 29 -3.601 9.831 2.293 239 H LYS 30 HN LYS 30 -5.063 2.540 2.553 240 HA LYS 30 HA LYS 30 -3.636 2.722 5.045 241 HB2 LYS 30 HB2 LYS 30 -6.011 2.914 5.130 242 HB3 LYS 30 HB1 LYS 30 -6.222 1.405 4.251 243 HG2 LYS 30 HG2 LYS 30 -6.677 0.801 6.433 244 HG3 LYS 30 HG1 LYS 30 -4.985 0.334 6.239 245 HD2 LYS 30 HD2 LYS 30 -4.218 2.043 7.567 246 HD3 LYS 30 HD1 LYS 30 -5.624 3.061 7.253 247 HE2 LYS 30 HE2 LYS 30 -6.731 2.245 9.016 248 HE3 LYS 30 HE1 LYS 30 -6.321 0.581 8.602 249 HZ1 LYS 30 HZ1 LYS 30 -4.357 2.398 9.861 250 HZ2 LYS 30 HZ2 LYS 30 -4.324 0.709 9.778 251 HZ3 LYS 30 HZ3 LYS 30 -5.441 1.484 10.784 252 H THR 31 HN THR 31 -4.789 -0.007 3.063 253 HA THR 31 HA THR 31 -3.866 -2.085 4.530 254 HB THR 31 HB THR 31 -3.758 -1.886 1.524 255 HG1 THR 31 HG1 THR 31 -5.827 -1.558 2.661 256 HG21 THR 31 HG21 THR 31 -2.576 -3.814 1.931 257 HG22 THR 31 HG22 THR 31 -4.231 -4.406 1.805 258 HG23 THR 31 HG23 THR 31 -3.486 -4.193 3.391 259 H CYS 32 HN CYS 32 -1.863 0.024 2.554 260 HA CYS 32 HA CYS 32 0.448 -1.699 2.792 261 HB2 CYS 32 HB2 CYS 32 1.693 -0.006 1.658 262 HB3 CYS 32 HB1 CYS 32 0.112 -0.051 0.903 263 H GLY 33 HN GLY 33 -1.074 0.552 4.810 264 HA2 GLY 33 HA2 GLY 33 -0.547 0.869 7.076 265 HA3 GLY 33 HA1 GLY 33 1.067 0.255 6.764 266 H THR 34 HN THR 34 -0.992 3.044 5.936 267 HA THR 34 HA THR 34 1.024 4.878 6.863 268 HB THR 34 HB THR 34 1.917 4.548 4.640 269 HG1 THR 34 HG1 THR 34 1.914 6.636 4.003 270 HG21 THR 34 HG21 THR 34 0.741 4.779 2.636 271 HG22 THR 34 HG22 THR 34 -0.688 5.415 3.454 272 HG23 THR 34 HG23 THR 34 -0.238 3.722 3.649 273 H CYS 35 HN CYS 35 -2.070 4.324 5.276 274 HA CYS 35 HA CYS 35 -3.172 6.858 5.373 275 HB2 CYS 35 HB2 CYS 35 -4.131 4.632 4.441 276 HB3 CYS 35 HB1 CYS 35 -4.812 4.435 6.052 Start of MODEL 18 1 H1 ALA 2 HT1 ALA 2 -11.496 10.909 2.034 2 H2 ALA 2 HT2 ALA 2 -9.852 10.565 2.384 3 H3 ALA 2 HT3 ALA 2 -11.094 9.950 3.396 4 HA ALA 2 HA ALA 2 -11.792 8.439 1.870 5 HB1 ALA 2 HB1 ALA 2 -11.865 10.044 -0.009 6 HB2 ALA 2 HB2 ALA 2 -11.205 8.474 -0.468 7 HB3 ALA 2 HB3 ALA 2 -10.125 9.844 -0.212 8 H CYS 3 HN CYS 3 -10.850 6.596 2.411 9 HA CYS 3 HA CYS 3 -8.034 6.166 1.816 10 HB2 CYS 3 HB2 CYS 3 -7.953 7.038 4.086 11 HB3 CYS 3 HB1 CYS 3 -9.175 5.881 4.604 12 H LYS 4 HN LYS 4 -7.993 4.340 0.706 13 HA LYS 4 HA LYS 4 -9.355 1.984 1.724 14 HB2 LYS 4 HB2 LYS 4 -10.093 3.380 -0.807 15 HB3 LYS 4 HB1 LYS 4 -10.106 1.622 -0.799 16 HG2 LYS 4 HG2 LYS 4 -11.597 3.308 1.196 17 HG3 LYS 4 HG1 LYS 4 -12.302 2.700 -0.304 18 HD2 LYS 4 HD2 LYS 4 -12.288 0.516 0.418 19 HD3 LYS 4 HD1 LYS 4 -10.953 0.784 1.540 20 HE2 LYS 4 HE2 LYS 4 -12.826 0.503 2.915 21 HE3 LYS 4 HE1 LYS 4 -12.580 2.248 2.853 22 HZ1 LYS 4 HZ1 LYS 4 -14.726 0.631 1.702 23 HZ2 LYS 4 HZ2 LYS 4 -14.242 2.006 0.845 24 HZ3 LYS 4 HZ3 LYS 4 -14.795 2.154 2.436 25 H ASP 5 HN ASP 5 -8.944 0.185 -0.193 26 HA ASP 5 HA ASP 5 -6.065 0.342 -0.713 27 HB2 ASP 5 HB2 ASP 5 -5.958 -2.080 -0.390 28 HB3 ASP 5 HB1 ASP 5 -6.612 -1.282 1.035 29 H TYR 6 HN TYR 6 -5.461 0.265 -2.727 30 HA TYR 6 HA TYR 6 -7.337 -0.189 -4.844 31 HB2 TYR 6 HB2 TYR 6 -4.993 1.238 -4.598 32 HB3 TYR 6 HB1 TYR 6 -4.504 -0.126 -5.598 33 HD1 TYR 6 HD2 TYR 6 -5.855 -0.594 -7.712 34 HD2 TYR 6 HD1 TYR 6 -6.155 3.044 -5.528 35 HE1 TYR 6 HE2 TYR 6 -6.821 0.506 -9.688 36 HE2 TYR 6 HE1 TYR 6 -7.122 4.155 -7.497 37 HH TYR 6 HH TYR 6 -8.442 3.356 -9.597 38 H LEU 7 HN LEU 7 -5.561 -2.286 -2.944 39 HA LEU 7 HA LEU 7 -5.961 -4.444 -4.858 40 HB2 LEU 7 HB2 LEU 7 -3.306 -3.532 -3.859 41 HB3 LEU 7 HB1 LEU 7 -3.557 -5.232 -4.082 42 HG LEU 7 HG LEU 7 -4.271 -3.430 -6.327 43 HD11 LEU 7 HD11 LEU 7 -1.786 -3.899 -7.042 44 HD12 LEU 7 HD12 LEU 7 -1.529 -3.927 -5.298 45 HD13 LEU 7 HD13 LEU 7 -2.204 -2.490 -6.066 46 HD21 LEU 7 HD21 LEU 7 -3.641 -6.258 -5.892 47 HD22 LEU 7 HD22 LEU 7 -2.947 -5.557 -7.350 48 HD23 LEU 7 HD23 LEU 7 -4.689 -5.497 -7.085 49 HA PRO 8 HA PRO 8 -6.695 -6.760 -1.173 50 HB2 PRO 8 HB2 PRO 8 -5.904 -9.237 -1.690 51 HB3 PRO 8 HB1 PRO 8 -7.180 -8.475 -2.651 52 HG2 PRO 8 HG2 PRO 8 -4.306 -8.882 -3.287 53 HG3 PRO 8 HG1 PRO 8 -5.722 -9.042 -4.338 54 HD2 PRO 8 HD2 PRO 8 -4.047 -6.833 -4.208 55 HD3 PRO 8 HD1 PRO 8 -5.665 -6.804 -4.895 56 H LYS 9 HN LYS 9 -5.815 -8.080 0.546 57 HA LYS 9 HA LYS 9 -3.623 -6.937 1.772 58 HB2 LYS 9 HB2 LYS 9 -4.580 -9.749 2.292 59 HB3 LYS 9 HB1 LYS 9 -3.768 -8.673 3.421 60 HG2 LYS 9 HG2 LYS 9 -6.158 -7.440 2.401 61 HG3 LYS 9 HG1 LYS 9 -6.516 -9.028 3.081 62 HD2 LYS 9 HD2 LYS 9 -5.828 -8.425 5.197 63 HD3 LYS 9 HD1 LYS 9 -4.761 -7.152 4.601 64 HE2 LYS 9 HE2 LYS 9 -7.765 -7.107 4.790 65 HE3 LYS 9 HE1 LYS 9 -6.614 -6.093 5.659 66 HZ1 LYS 9 HZ1 LYS 9 -7.509 -5.922 2.874 67 HZ2 LYS 9 HZ2 LYS 9 -5.936 -5.421 3.239 68 HZ3 LYS 9 HZ3 LYS 9 -7.254 -4.687 4.002 69 H SER 10 HN SER 10 -3.657 -9.445 -0.606 70 HA SER 10 HA SER 10 -1.065 -10.492 0.039 71 HB2 SER 10 HB2 SER 10 -2.928 -10.867 -2.301 72 HB3 SER 10 HB1 SER 10 -1.330 -11.611 -2.243 73 HG SER 10 HG SER 10 -3.625 -12.219 -0.826 74 H GLU 11 HN GLU 11 -2.208 -7.804 -1.813 75 HA GLU 11 HA GLU 11 0.314 -7.618 -3.294 76 HB2 GLU 11 HB2 GLU 11 -2.421 -6.712 -3.646 77 HB3 GLU 11 HB1 GLU 11 -1.266 -5.428 -3.944 78 HG2 GLU 11 HG2 GLU 11 -0.516 -7.926 -5.224 79 HG3 GLU 11 HG1 GLU 11 -2.111 -7.358 -5.728 80 H CYS 12 HN CYS 12 -1.635 -5.909 -0.943 81 HA CYS 12 HA CYS 12 0.406 -3.842 -0.699 82 HB2 CYS 12 HB2 CYS 12 -2.469 -4.081 -0.031 83 HB3 CYS 12 HB1 CYS 12 -1.501 -3.007 0.989 84 H THR 13 HN THR 13 2.018 -4.424 0.549 85 HA THR 13 HA THR 13 1.409 -5.693 3.137 86 HB THR 13 HB THR 13 3.847 -6.524 2.936 87 HG1 THR 13 HG1 THR 13 4.852 -5.926 1.223 88 HG21 THR 13 HG21 THR 13 1.734 -7.908 2.502 89 HG22 THR 13 HG22 THR 13 3.256 -8.488 1.825 90 HG23 THR 13 HG23 THR 13 2.087 -7.664 0.788 91 H GLN 14 HN GLN 14 2.416 -4.877 4.972 92 HA GLN 14 HA GLN 14 2.934 -2.181 5.161 93 HB2 GLN 14 HB2 GLN 14 4.317 -4.244 6.877 94 HB3 GLN 14 HB1 GLN 14 3.872 -2.602 7.321 95 HG2 GLN 14 HG2 GLN 14 2.032 -4.935 6.857 96 HG3 GLN 14 HG1 GLN 14 2.344 -4.090 8.372 97 HE21 GLN 14 HE21 GLN 14 0.526 -4.140 5.455 98 HE22 GLN 14 HE22 GLN 14 -0.434 -2.740 5.772 99 H PHE 15 HN PHE 15 4.997 -4.742 4.115 100 HA PHE 15 HA PHE 15 7.505 -3.505 4.276 101 HB2 PHE 15 HB2 PHE 15 6.298 -5.818 2.948 102 HB3 PHE 15 HB1 PHE 15 7.626 -5.122 2.039 103 HD1 PHE 15 HD1 PHE 15 9.866 -4.915 3.133 104 HD2 PHE 15 HD2 PHE 15 6.661 -7.098 4.884 105 HE1 PHE 15 HE1 PHE 15 11.466 -6.083 4.588 106 HE2 PHE 15 HE2 PHE 15 8.256 -8.272 6.346 107 HZ PHE 15 HZ PHE 15 10.662 -7.765 6.200 108 H ARG 16 HN ARG 16 4.979 -3.431 1.831 109 HA ARG 16 HA ARG 16 6.341 -2.148 -0.228 110 HB2 ARG 16 HB2 ARG 16 3.428 -1.828 0.497 111 HB3 ARG 16 HB1 ARG 16 4.148 -1.519 -1.070 112 HG2 ARG 16 HG2 ARG 16 4.093 -4.194 0.273 113 HG3 ARG 16 HG1 ARG 16 2.933 -3.651 -0.939 114 HD2 ARG 16 HD2 ARG 16 4.313 -4.447 -2.492 115 HD3 ARG 16 HD1 ARG 16 5.441 -3.163 -2.060 116 HE ARG 16 HE ARG 16 6.016 -5.064 -0.251 117 HH11 ARG 16 HH11 ARG 16 5.669 -5.172 -3.723 118 HH12 ARG 16 HH12 ARG 16 6.788 -6.478 -3.919 119 HH21 ARG 16 HH21 ARG 16 7.489 -6.782 -0.509 120 HH22 ARG 16 HH22 ARG 16 7.821 -7.392 -2.095 121 H CYS 17 HN CYS 17 4.523 -0.715 2.477 122 HA CYS 17 HA CYS 17 4.931 1.938 1.601 123 HB2 CYS 17 HB2 CYS 17 4.100 0.724 4.206 124 HB3 CYS 17 HB1 CYS 17 4.500 2.436 4.126 125 H ARG 18 HN ARG 18 6.869 -0.282 3.401 126 HA ARG 18 HA ARG 18 8.636 1.517 4.647 127 HB2 ARG 18 HB2 ARG 18 8.377 -1.263 4.430 128 HB3 ARG 18 HB1 ARG 18 9.982 -0.884 3.780 129 HG2 ARG 18 HG2 ARG 18 10.732 -0.056 5.806 130 HG3 ARG 18 HG1 ARG 18 9.104 0.263 6.409 131 HD2 ARG 18 HD2 ARG 18 8.951 -2.395 6.106 132 HD3 ARG 18 HD1 ARG 18 10.680 -2.239 6.412 133 HE ARG 18 HE ARG 18 9.573 -0.763 8.387 134 HH11 ARG 18 HH11 ARG 18 9.040 -4.024 7.265 135 HH12 ARG 18 HH12 ARG 18 8.577 -4.618 8.824 136 HH21 ARG 18 HH21 ARG 18 8.965 -1.544 10.439 137 HH22 ARG 18 HH22 ARG 18 8.534 -3.211 10.625 138 H THR 19 HN THR 19 8.919 -0.287 1.682 139 HA THR 19 HA THR 19 11.168 1.417 0.896 140 HB THR 19 HB THR 19 11.842 -0.776 1.363 141 HG1 THR 19 HG1 THR 19 12.633 0.059 -0.664 142 HG21 THR 19 HG21 THR 19 9.774 -1.920 1.402 143 HG22 THR 19 HG22 THR 19 10.867 -2.758 0.292 144 HG23 THR 19 HG23 THR 19 9.574 -1.738 -0.344 145 H SER 20 HN SER 20 8.130 0.045 -0.215 146 HA SER 20 HA SER 20 8.520 1.099 -2.902 147 HB2 SER 20 HB2 SER 20 6.790 -0.893 -1.660 148 HB3 SER 20 HB1 SER 20 5.913 0.164 -2.764 149 HG SER 20 HG SER 20 7.496 -0.349 -4.354 150 H MET 21 HN MET 21 8.104 3.159 -3.297 151 HA MET 21 HA MET 21 6.425 4.738 -1.583 152 HB2 MET 21 HB2 MET 21 8.304 5.216 -3.785 153 HB3 MET 21 HB1 MET 21 6.944 6.329 -3.749 154 HG2 MET 21 HG2 MET 21 7.850 7.472 -2.092 155 HG3 MET 21 HG1 MET 21 8.001 6.017 -1.110 156 HE1 MET 21 HE1 MET 21 10.063 8.301 -0.687 157 HE2 MET 21 HE2 MET 21 11.583 7.406 -0.700 158 HE3 MET 21 HE3 MET 21 10.167 6.728 0.104 159 H LYS 22 HN LYS 22 6.227 3.528 -4.896 160 HA LYS 22 HA LYS 22 3.835 4.817 -5.607 161 HB2 LYS 22 HB2 LYS 22 5.419 3.781 -7.204 162 HB3 LYS 22 HB1 LYS 22 4.921 2.193 -6.639 163 HG2 LYS 22 HG2 LYS 22 2.544 3.439 -7.316 164 HG3 LYS 22 HG1 LYS 22 3.675 3.953 -8.568 165 HD2 LYS 22 HD2 LYS 22 4.153 1.722 -9.187 166 HD3 LYS 22 HD1 LYS 22 3.380 1.077 -7.738 167 HE2 LYS 22 HE2 LYS 22 1.228 2.112 -8.624 168 HE3 LYS 22 HE1 LYS 22 2.087 2.322 -10.149 169 HZ1 LYS 22 HZ1 LYS 22 2.168 0.080 -10.519 170 HZ2 LYS 22 HZ2 LYS 22 0.690 0.189 -9.705 171 HZ3 LYS 22 HZ3 LYS 22 2.073 -0.325 -8.879 172 H TYR 23 HN TYR 23 4.389 2.107 -3.559 173 HA TYR 23 HA TYR 23 1.764 0.966 -3.912 174 HB2 TYR 23 HB2 TYR 23 4.063 0.382 -2.071 175 HB3 TYR 23 HB1 TYR 23 2.502 -0.405 -1.870 176 HD1 TYR 23 HD1 TYR 23 4.725 0.395 -4.765 177 HD2 TYR 23 HD2 TYR 23 2.466 -2.545 -2.687 178 HE1 TYR 23 HE1 TYR 23 5.364 -1.280 -6.453 179 HE2 TYR 23 HE2 TYR 23 3.096 -4.228 -4.361 180 HH TYR 23 HH TYR 23 3.839 -4.272 -6.739 181 H ARG 24 HN ARG 24 3.329 3.091 -1.593 182 HA ARG 24 HA ARG 24 1.380 2.914 0.436 183 HB2 ARG 24 HB2 ARG 24 3.042 5.359 -0.114 184 HB3 ARG 24 HB1 ARG 24 2.404 4.809 1.425 185 HG2 ARG 24 HG2 ARG 24 4.105 3.421 1.783 186 HG3 ARG 24 HG1 ARG 24 4.228 2.942 0.090 187 HD2 ARG 24 HD2 ARG 24 5.227 5.222 -0.333 188 HD3 ARG 24 HD1 ARG 24 5.311 5.414 1.416 189 HE ARG 24 HE ARG 24 6.554 3.001 0.426 190 HH11 ARG 24 HH11 ARG 24 7.006 6.385 1.188 191 HH12 ARG 24 HH12 ARG 24 8.717 6.235 1.408 192 HH21 ARG 24 HH21 ARG 24 8.804 2.810 0.723 193 HH22 ARG 24 HH22 ARG 24 9.738 4.206 1.142 194 H LEU 25 HN LEU 25 1.917 5.600 -1.825 195 HA LEU 25 HA LEU 25 -0.736 6.623 -1.217 196 HB2 LEU 25 HB2 LEU 25 1.287 7.848 -3.061 197 HB3 LEU 25 HB1 LEU 25 -0.012 8.645 -2.187 198 HG LEU 25 HG LEU 25 1.751 9.294 -0.888 199 HD11 LEU 25 HD11 LEU 25 1.747 6.699 0.526 200 HD12 LEU 25 HD12 LEU 25 0.180 7.481 0.316 201 HD13 LEU 25 HD13 LEU 25 1.485 8.332 1.139 202 HD21 LEU 25 HD21 LEU 25 3.753 8.581 -1.526 203 HD22 LEU 25 HD22 LEU 25 3.084 7.092 -2.189 204 HD23 LEU 25 HD23 LEU 25 3.515 7.181 -0.481 205 H ASN 26 HN ASN 26 1.056 5.524 -4.072 206 HA ASN 26 HA ASN 26 -1.011 6.183 -5.891 207 HB2 ASN 26 HB2 ASN 26 1.622 5.489 -6.090 208 HB3 ASN 26 HB1 ASN 26 0.812 4.064 -6.744 209 HD21 ASN 26 HD21 ASN 26 -0.311 4.212 -8.653 210 HD22 ASN 26 HD22 ASN 26 -0.222 5.590 -9.690 211 H LEU 27 HN LEU 27 -0.216 3.152 -4.208 212 HA LEU 27 HA LEU 27 -2.424 1.841 -5.600 213 HB2 LEU 27 HB2 LEU 27 -0.126 0.899 -3.972 214 HB3 LEU 27 HB1 LEU 27 -1.580 -0.078 -3.939 215 HG LEU 27 HG LEU 27 -1.492 -0.149 -6.449 216 HD11 LEU 27 HD11 LEU 27 0.664 0.345 -7.501 217 HD12 LEU 27 HD12 LEU 27 1.248 1.011 -5.977 218 HD13 LEU 27 HD13 LEU 27 -0.087 1.790 -6.826 219 HD21 LEU 27 HD21 LEU 27 -0.668 -1.941 -4.882 220 HD22 LEU 27 HD22 LEU 27 0.955 -1.299 -5.132 221 HD23 LEU 27 HD23 LEU 27 0.045 -1.948 -6.495 222 H CYS 28 HN CYS 28 -1.987 0.618 -2.424 223 HA CYS 28 HA CYS 28 -4.607 1.667 -1.679 224 HB2 CYS 28 HB2 CYS 28 -4.456 0.030 0.133 225 HB3 CYS 28 HB1 CYS 28 -4.114 -0.733 -1.423 226 H LYS 29 HN LYS 29 -4.967 2.807 0.212 227 HA LYS 29 HA LYS 29 -2.763 4.440 1.093 228 HB2 LYS 29 HB2 LYS 29 -5.682 4.454 1.870 229 HB3 LYS 29 HB1 LYS 29 -4.492 5.637 2.402 230 HG2 LYS 29 HG2 LYS 29 -4.391 5.431 -0.445 231 HG3 LYS 29 HG1 LYS 29 -6.065 5.673 0.064 232 HD2 LYS 29 HD2 LYS 29 -5.626 7.733 0.996 233 HD3 LYS 29 HD1 LYS 29 -3.925 7.360 1.278 234 HE2 LYS 29 HE2 LYS 29 -3.430 8.476 -0.579 235 HE3 LYS 29 HE1 LYS 29 -4.285 7.240 -1.500 236 HZ1 LYS 29 HZ1 LYS 29 -6.347 8.543 -1.119 237 HZ2 LYS 29 HZ2 LYS 29 -5.195 9.350 -2.058 238 HZ3 LYS 29 HZ3 LYS 29 -5.406 9.772 -0.434 239 H LYS 30 HN LYS 30 -5.205 2.457 2.736 240 HA LYS 30 HA LYS 30 -3.667 2.429 5.160 241 HB2 LYS 30 HB2 LYS 30 -6.036 2.586 5.359 242 HB3 LYS 30 HB1 LYS 30 -6.270 1.138 4.390 243 HG2 LYS 30 HG2 LYS 30 -6.608 0.383 6.549 244 HG3 LYS 30 HG1 LYS 30 -4.926 -0.049 6.233 245 HD2 LYS 30 HD2 LYS 30 -4.136 1.378 7.774 246 HD3 LYS 30 HD1 LYS 30 -5.312 2.627 7.364 247 HE2 LYS 30 HE2 LYS 30 -5.622 1.802 9.652 248 HE3 LYS 30 HE1 LYS 30 -7.025 1.471 8.638 249 HZ1 LYS 30 HZ1 LYS 30 -5.208 -0.366 9.928 250 HZ2 LYS 30 HZ2 LYS 30 -5.573 -0.765 8.325 251 HZ3 LYS 30 HZ3 LYS 30 -6.818 -0.587 9.456 252 H THR 31 HN THR 31 -4.856 -0.198 3.019 253 HA THR 31 HA THR 31 -3.804 -2.314 4.369 254 HB THR 31 HB THR 31 -3.895 -2.049 1.368 255 HG1 THR 31 HG1 THR 31 -5.810 -2.938 3.260 256 HG21 THR 31 HG21 THR 31 -4.145 -4.561 2.972 257 HG22 THR 31 HG22 THR 31 -2.599 -4.001 2.337 258 HG23 THR 31 HG23 THR 31 -3.925 -4.380 1.233 259 H CYS 32 HN CYS 32 -2.015 -0.071 2.395 260 HA CYS 32 HA CYS 32 0.336 -1.730 2.264 261 HB2 CYS 32 HB2 CYS 32 0.151 -0.115 0.532 262 HB3 CYS 32 HB1 CYS 32 -0.108 1.198 1.674 263 H GLY 33 HN GLY 33 -1.070 0.180 4.651 264 HA2 GLY 33 HA2 GLY 33 -0.384 0.298 6.884 265 HA3 GLY 33 HA1 GLY 33 1.206 -0.267 6.400 266 H THR 34 HN THR 34 -0.753 2.556 5.422 267 HA THR 34 HA THR 34 1.323 4.299 6.536 268 HB THR 34 HB THR 34 2.018 4.217 4.275 269 HG1 THR 34 HG1 THR 34 2.089 6.303 4.712 270 HG21 THR 34 HG21 THR 34 -0.110 3.236 3.376 271 HG22 THR 34 HG22 THR 34 0.685 4.438 2.360 272 HG23 THR 34 HG23 THR 34 -0.733 4.884 3.309 273 H CYS 35 HN CYS 35 -1.947 3.923 5.302 274 HA CYS 35 HA CYS 35 -2.931 6.488 5.735 275 HB2 CYS 35 HB2 CYS 35 -4.072 4.412 4.687 276 HB3 CYS 35 HB1 CYS 35 -4.583 4.052 6.329 Start of MODEL 19 1 H1 ALA 2 HT1 ALA 2 -11.692 8.583 0.116 2 H2 ALA 2 HT2 ALA 2 -11.534 7.603 1.515 3 H3 ALA 2 HT3 ALA 2 -11.253 6.934 -0.040 4 HA ALA 2 HA ALA 2 -9.386 8.369 -0.344 5 HB1 ALA 2 HB1 ALA 2 -10.411 9.493 2.188 6 HB2 ALA 2 HB2 ALA 2 -9.590 10.283 0.841 7 HB3 ALA 2 HB3 ALA 2 -8.658 9.374 2.031 8 H CYS 3 HN CYS 3 -9.825 7.259 3.018 9 HA CYS 3 HA CYS 3 -7.391 5.767 2.960 10 HB2 CYS 3 HB2 CYS 3 -8.569 6.854 4.991 11 HB3 CYS 3 HB1 CYS 3 -9.555 5.396 5.015 12 H LYS 4 HN LYS 4 -8.002 4.523 0.995 13 HA LYS 4 HA LYS 4 -9.350 2.033 1.785 14 HB2 LYS 4 HB2 LYS 4 -9.730 3.604 -0.761 15 HB3 LYS 4 HB1 LYS 4 -10.145 1.900 -0.639 16 HG2 LYS 4 HG2 LYS 4 -11.251 3.828 1.350 17 HG3 LYS 4 HG1 LYS 4 -11.959 3.725 -0.263 18 HD2 LYS 4 HD2 LYS 4 -12.765 1.613 0.075 19 HD3 LYS 4 HD1 LYS 4 -11.482 1.189 1.210 20 HE2 LYS 4 HE2 LYS 4 -13.147 1.400 2.723 21 HE3 LYS 4 HE1 LYS 4 -12.714 3.107 2.624 22 HZ1 LYS 4 HZ1 LYS 4 -14.466 3.398 0.965 23 HZ2 LYS 4 HZ2 LYS 4 -15.090 2.822 2.428 24 HZ3 LYS 4 HZ3 LYS 4 -14.897 1.769 1.118 25 H ASP 5 HN ASP 5 -8.902 0.372 -0.168 26 HA ASP 5 HA ASP 5 -6.025 0.519 -0.701 27 HB2 ASP 5 HB2 ASP 5 -5.908 -1.912 -0.409 28 HB3 ASP 5 HB1 ASP 5 -6.509 -1.123 1.045 29 H TYR 6 HN TYR 6 -5.439 0.404 -2.724 30 HA TYR 6 HA TYR 6 -7.364 -0.016 -4.809 31 HB2 TYR 6 HB2 TYR 6 -5.050 1.423 -4.628 32 HB3 TYR 6 HB1 TYR 6 -4.515 0.032 -5.563 33 HD1 TYR 6 HD2 TYR 6 -5.781 -0.538 -7.693 34 HD2 TYR 6 HD1 TYR 6 -6.272 3.156 -5.640 35 HE1 TYR 6 HE2 TYR 6 -6.732 0.462 -9.729 36 HE2 TYR 6 HE1 TYR 6 -7.225 4.165 -7.670 37 HH TYR 6 HH TYR 6 -8.373 2.470 -10.201 38 H LEU 7 HN LEU 7 -5.612 -2.154 -2.946 39 HA LEU 7 HA LEU 7 -6.033 -4.279 -4.894 40 HB2 LEU 7 HB2 LEU 7 -3.376 -3.423 -3.852 41 HB3 LEU 7 HB1 LEU 7 -3.649 -5.116 -4.103 42 HG LEU 7 HG LEU 7 -4.326 -3.279 -6.329 43 HD11 LEU 7 HD11 LEU 7 -1.585 -3.830 -5.310 44 HD12 LEU 7 HD12 LEU 7 -2.253 -2.350 -6.001 45 HD13 LEU 7 HD13 LEU 7 -1.854 -3.713 -7.048 46 HD21 LEU 7 HD21 LEU 7 -3.713 -6.116 -5.924 47 HD22 LEU 7 HD22 LEU 7 -3.002 -5.400 -7.367 48 HD23 LEU 7 HD23 LEU 7 -4.746 -5.335 -7.118 49 HA PRO 8 HA PRO 8 -6.866 -6.649 -1.270 50 HB2 PRO 8 HB2 PRO 8 -6.082 -9.125 -1.802 51 HB3 PRO 8 HB1 PRO 8 -7.326 -8.338 -2.784 52 HG2 PRO 8 HG2 PRO 8 -4.436 -8.751 -3.349 53 HG3 PRO 8 HG1 PRO 8 -5.825 -8.900 -4.437 54 HD2 PRO 8 HD2 PRO 8 -4.156 -6.698 -4.257 55 HD3 PRO 8 HD1 PRO 8 -5.766 -6.653 -4.961 56 H LYS 9 HN LYS 9 -6.057 -8.002 0.443 57 HA LYS 9 HA LYS 9 -3.896 -6.900 1.760 58 HB2 LYS 9 HB2 LYS 9 -4.986 -9.682 2.198 59 HB3 LYS 9 HB1 LYS 9 -4.099 -8.707 3.362 60 HG2 LYS 9 HG2 LYS 9 -6.690 -7.752 2.199 61 HG3 LYS 9 HG1 LYS 9 -6.648 -8.854 3.576 62 HD2 LYS 9 HD2 LYS 9 -6.403 -7.082 4.899 63 HD3 LYS 9 HD1 LYS 9 -4.810 -6.833 4.182 64 HE2 LYS 9 HE2 LYS 9 -6.148 -4.801 4.056 65 HE3 LYS 9 HE1 LYS 9 -5.811 -5.433 2.445 66 HZ1 LYS 9 HZ1 LYS 9 -7.991 -6.191 2.211 67 HZ2 LYS 9 HZ2 LYS 9 -8.166 -4.669 2.928 68 HZ3 LYS 9 HZ3 LYS 9 -8.325 -6.068 3.865 69 H SER 10 HN SER 10 -3.854 -9.333 -0.683 70 HA SER 10 HA SER 10 -1.289 -10.405 0.082 71 HB2 SER 10 HB2 SER 10 -3.335 -11.462 -1.311 72 HB3 SER 10 HB1 SER 10 -2.329 -10.902 -2.647 73 HG SER 10 HG SER 10 -1.519 -12.611 -0.530 74 H GLU 11 HN GLU 11 -2.358 -7.719 -1.790 75 HA GLU 11 HA GLU 11 0.161 -7.609 -3.284 76 HB2 GLU 11 HB2 GLU 11 -2.547 -6.661 -3.648 77 HB3 GLU 11 HB1 GLU 11 -1.390 -5.369 -3.899 78 HG2 GLU 11 HG2 GLU 11 -0.632 -7.841 -5.231 79 HG3 GLU 11 HG1 GLU 11 -2.211 -7.241 -5.745 80 H CYS 12 HN CYS 12 -1.728 -5.835 -0.931 81 HA CYS 12 HA CYS 12 0.362 -3.817 -0.709 82 HB2 CYS 12 HB2 CYS 12 -2.499 -4.011 0.035 83 HB3 CYS 12 HB1 CYS 12 -1.486 -2.954 1.027 84 H THR 13 HN THR 13 1.985 -4.354 0.535 85 HA THR 13 HA THR 13 1.409 -5.674 3.107 86 HB THR 13 HB THR 13 3.853 -6.495 2.856 87 HG1 THR 13 HG1 THR 13 3.292 -5.951 0.136 88 HG21 THR 13 HG21 THR 13 2.022 -7.631 0.763 89 HG22 THR 13 HG22 THR 13 1.740 -7.887 2.489 90 HG23 THR 13 HG23 THR 13 3.235 -8.457 1.747 91 H GLN 14 HN GLN 14 2.430 -4.881 4.939 92 HA GLN 14 HA GLN 14 2.959 -2.189 5.155 93 HB2 GLN 14 HB2 GLN 14 4.331 -4.287 6.839 94 HB3 GLN 14 HB1 GLN 14 3.914 -2.643 7.305 95 HG2 GLN 14 HG2 GLN 14 2.042 -4.948 6.833 96 HG3 GLN 14 HG1 GLN 14 2.366 -4.110 8.349 97 HE21 GLN 14 HE21 GLN 14 0.531 -4.143 5.447 98 HE22 GLN 14 HE22 GLN 14 -0.408 -2.729 5.766 99 H PHE 15 HN PHE 15 5.010 -4.744 4.068 100 HA PHE 15 HA PHE 15 7.521 -3.512 4.234 101 HB2 PHE 15 HB2 PHE 15 6.307 -5.806 2.880 102 HB3 PHE 15 HB1 PHE 15 7.632 -5.098 1.975 103 HD1 PHE 15 HD1 PHE 15 9.872 -4.876 3.095 104 HD2 PHE 15 HD2 PHE 15 6.682 -7.144 4.765 105 HE1 PHE 15 HE1 PHE 15 11.476 -6.065 4.529 106 HE2 PHE 15 HE2 PHE 15 8.282 -8.339 6.205 107 HZ PHE 15 HZ PHE 15 10.683 -7.800 6.088 108 H ARG 16 HN ARG 16 4.977 -3.399 1.811 109 HA ARG 16 HA ARG 16 6.314 -2.097 -0.249 110 HB2 ARG 16 HB2 ARG 16 3.416 -1.808 0.551 111 HB3 ARG 16 HB1 ARG 16 4.092 -1.403 -1.014 112 HG2 ARG 16 HG2 ARG 16 4.114 -4.147 0.181 113 HG3 ARG 16 HG1 ARG 16 2.910 -3.560 -0.968 114 HD2 ARG 16 HD2 ARG 16 4.331 -4.511 -2.458 115 HD3 ARG 16 HD1 ARG 16 5.133 -2.947 -2.321 116 HE ARG 16 HE ARG 16 6.099 -4.804 -0.389 117 HH11 ARG 16 HH11 ARG 16 6.340 -3.896 -3.750 118 HH12 ARG 16 HH12 ARG 16 7.941 -4.531 -3.935 119 HH21 ARG 16 HH21 ARG 16 8.204 -5.638 -0.630 120 HH22 ARG 16 HH22 ARG 16 8.999 -5.520 -2.165 121 H CYS 17 HN CYS 17 4.502 -0.659 2.466 122 HA CYS 17 HA CYS 17 4.939 1.991 1.621 123 HB2 CYS 17 HB2 CYS 17 4.142 0.768 4.234 124 HB3 CYS 17 HB1 CYS 17 4.533 2.481 4.144 125 H ARG 18 HN ARG 18 6.878 -0.252 3.397 126 HA ARG 18 HA ARG 18 8.666 1.534 4.629 127 HB2 ARG 18 HB2 ARG 18 8.390 -1.242 4.421 128 HB3 ARG 18 HB1 ARG 18 9.987 -0.878 3.743 129 HG2 ARG 18 HG2 ARG 18 9.952 0.630 6.035 130 HG3 ARG 18 HG1 ARG 18 9.039 -0.800 6.517 131 HD2 ARG 18 HD2 ARG 18 11.338 -1.586 4.994 132 HD3 ARG 18 HD1 ARG 18 11.832 -0.514 6.302 133 HE ARG 18 HE ARG 18 10.190 -2.260 7.542 134 HH11 ARG 18 HH11 ARG 18 12.944 -2.678 5.439 135 HH12 ARG 18 HH12 ARG 18 13.425 -4.178 6.160 136 HH21 ARG 18 HH21 ARG 18 10.822 -4.232 8.492 137 HH22 ARG 18 HH22 ARG 18 12.220 -5.060 7.892 138 H THR 19 HN THR 19 8.923 -0.266 1.657 139 HA THR 19 HA THR 19 11.172 1.434 0.863 140 HB THR 19 HB THR 19 11.838 -0.764 1.323 141 HG1 THR 19 HG1 THR 19 12.785 -1.238 -0.565 142 HG21 THR 19 HG21 THR 19 10.854 -2.736 0.241 143 HG22 THR 19 HG22 THR 19 9.565 -1.706 -0.389 144 HG23 THR 19 HG23 THR 19 9.767 -1.900 1.357 145 H SER 20 HN SER 20 8.128 0.065 -0.240 146 HA SER 20 HA SER 20 8.508 1.133 -2.923 147 HB2 SER 20 HB2 SER 20 7.269 -1.111 -2.100 148 HB3 SER 20 HB1 SER 20 5.888 -0.015 -2.142 149 HG SER 20 HG SER 20 7.199 -1.179 -4.187 150 H MET 21 HN MET 21 8.066 3.185 -3.324 151 HA MET 21 HA MET 21 6.397 4.749 -1.587 152 HB2 MET 21 HB2 MET 21 8.262 5.247 -3.796 153 HB3 MET 21 HB1 MET 21 6.899 6.357 -3.744 154 HG2 MET 21 HG2 MET 21 7.788 7.478 -2.058 155 HG3 MET 21 HG1 MET 21 7.999 6.004 -1.116 156 HE1 MET 21 HE1 MET 21 11.061 7.623 -4.150 157 HE2 MET 21 HE2 MET 21 9.865 8.688 -3.410 158 HE3 MET 21 HE3 MET 21 9.343 7.367 -4.456 159 H LYS 22 HN LYS 22 6.169 3.562 -4.911 160 HA LYS 22 HA LYS 22 3.779 4.865 -5.595 161 HB2 LYS 22 HB2 LYS 22 5.379 3.770 -7.178 162 HB3 LYS 22 HB1 LYS 22 4.758 2.212 -6.652 163 HG2 LYS 22 HG2 LYS 22 3.460 2.485 -8.478 164 HG3 LYS 22 HG1 LYS 22 2.451 3.356 -7.323 165 HD2 LYS 22 HD2 LYS 22 2.750 5.297 -8.386 166 HD3 LYS 22 HD1 LYS 22 4.495 5.057 -8.488 167 HE2 LYS 22 HE2 LYS 22 3.671 3.273 -10.325 168 HE3 LYS 22 HE1 LYS 22 2.371 4.458 -10.452 169 HZ1 LYS 22 HZ1 LYS 22 5.220 5.249 -10.547 170 HZ2 LYS 22 HZ2 LYS 22 3.869 6.131 -11.053 171 HZ3 LYS 22 HZ3 LYS 22 4.377 4.783 -11.938 172 H TYR 23 HN TYR 23 4.320 2.143 -3.557 173 HA TYR 23 HA TYR 23 1.681 1.034 -3.898 174 HB2 TYR 23 HB2 TYR 23 3.984 0.419 -2.074 175 HB3 TYR 23 HB1 TYR 23 2.414 -0.346 -1.857 176 HD1 TYR 23 HD1 TYR 23 4.538 0.440 -4.829 177 HD2 TYR 23 HD2 TYR 23 2.423 -2.510 -2.616 178 HE1 TYR 23 HE1 TYR 23 5.137 -1.247 -6.519 179 HE2 TYR 23 HE2 TYR 23 3.015 -4.206 -4.291 180 HH TYR 23 HH TYR 23 5.344 -3.628 -6.751 181 H ARG 24 HN ARG 24 3.300 3.104 -1.564 182 HA ARG 24 HA ARG 24 1.368 2.970 0.474 183 HB2 ARG 24 HB2 ARG 24 3.044 5.397 -0.117 184 HB3 ARG 24 HB1 ARG 24 2.416 4.872 1.434 185 HG2 ARG 24 HG2 ARG 24 4.100 3.459 1.788 186 HG3 ARG 24 HG1 ARG 24 4.221 2.984 0.093 187 HD2 ARG 24 HD2 ARG 24 5.225 5.267 -0.320 188 HD3 ARG 24 HD1 ARG 24 5.318 5.445 1.430 189 HE ARG 24 HE ARG 24 6.545 3.035 0.418 190 HH11 ARG 24 HH11 ARG 24 7.018 6.411 1.197 191 HH12 ARG 24 HH12 ARG 24 8.729 6.251 1.409 192 HH21 ARG 24 HH21 ARG 24 8.793 2.828 0.708 193 HH22 ARG 24 HH22 ARG 24 9.738 4.217 1.130 194 H LEU 25 HN LEU 25 1.903 5.637 -1.811 195 HA LEU 25 HA LEU 25 -0.733 6.690 -1.185 196 HB2 LEU 25 HB2 LEU 25 1.285 7.885 -3.053 197 HB3 LEU 25 HB1 LEU 25 0.001 8.699 -2.173 198 HG LEU 25 HG LEU 25 1.781 9.340 -0.892 199 HD11 LEU 25 HD11 LEU 25 1.527 8.389 1.143 200 HD12 LEU 25 HD12 LEU 25 1.758 6.750 0.535 201 HD13 LEU 25 HD13 LEU 25 0.200 7.554 0.336 202 HD21 LEU 25 HD21 LEU 25 3.529 7.214 -0.484 203 HD22 LEU 25 HD22 LEU 25 3.770 8.602 -1.545 204 HD23 LEU 25 HD23 LEU 25 3.082 7.112 -2.188 205 H ASN 26 HN ASN 26 1.024 5.581 -4.064 206 HA ASN 26 HA ASN 26 -1.071 6.242 -5.851 207 HB2 ASN 26 HB2 ASN 26 1.557 5.558 -6.099 208 HB3 ASN 26 HB1 ASN 26 0.746 4.122 -6.729 209 HD21 ASN 26 HD21 ASN 26 1.792 7.236 -7.402 210 HD22 ASN 26 HD22 ASN 26 0.998 7.452 -8.921 211 H LEU 27 HN LEU 27 -0.248 3.213 -4.180 212 HA LEU 27 HA LEU 27 -2.473 1.898 -5.537 213 HB2 LEU 27 HB2 LEU 27 -0.183 0.954 -3.886 214 HB3 LEU 27 HB1 LEU 27 -1.635 -0.027 -3.911 215 HG LEU 27 HG LEU 27 -1.476 -0.054 -6.418 216 HD11 LEU 27 HD11 LEU 27 -0.038 1.930 -6.632 217 HD12 LEU 27 HD12 LEU 27 0.628 0.516 -7.450 218 HD13 LEU 27 HD13 LEU 27 1.286 1.027 -5.895 219 HD21 LEU 27 HD21 LEU 27 0.076 -1.843 -6.456 220 HD22 LEU 27 HD22 LEU 27 -0.688 -1.873 -4.867 221 HD23 LEU 27 HD23 LEU 27 0.938 -1.217 -5.051 222 H CYS 28 HN CYS 28 -1.992 0.702 -2.354 223 HA CYS 28 HA CYS 28 -4.603 1.765 -1.585 224 HB2 CYS 28 HB2 CYS 28 -4.459 0.106 0.208 225 HB3 CYS 28 HB1 CYS 28 -4.131 -0.645 -1.357 226 H LYS 29 HN LYS 29 -4.930 2.897 0.320 227 HA LYS 29 HA LYS 29 -2.688 4.479 1.207 228 HB2 LYS 29 HB2 LYS 29 -5.619 4.539 1.920 229 HB3 LYS 29 HB1 LYS 29 -4.424 5.638 2.601 230 HG2 LYS 29 HG2 LYS 29 -4.374 5.519 -0.317 231 HG3 LYS 29 HG1 LYS 29 -5.907 6.091 0.349 232 HD2 LYS 29 HD2 LYS 29 -4.345 7.574 1.848 233 HD3 LYS 29 HD1 LYS 29 -3.179 7.286 0.554 234 HE2 LYS 29 HE2 LYS 29 -5.308 7.959 -0.921 235 HE3 LYS 29 HE1 LYS 29 -5.685 8.861 0.546 236 HZ1 LYS 29 HZ1 LYS 29 -3.911 10.230 0.273 237 HZ2 LYS 29 HZ2 LYS 29 -4.201 9.874 -1.355 238 HZ3 LYS 29 HZ3 LYS 29 -2.970 9.069 -0.520 239 H LYS 30 HN LYS 30 -5.164 2.527 2.832 240 HA LYS 30 HA LYS 30 -3.624 2.446 5.251 241 HB2 LYS 30 HB2 LYS 30 -5.995 2.645 5.440 242 HB3 LYS 30 HB1 LYS 30 -6.246 1.193 4.479 243 HG2 LYS 30 HG2 LYS 30 -6.597 0.513 6.683 244 HG3 LYS 30 HG1 LYS 30 -4.962 -0.033 6.297 245 HD2 LYS 30 HD2 LYS 30 -4.477 0.949 8.270 246 HD3 LYS 30 HD1 LYS 30 -4.405 2.401 7.269 247 HE2 LYS 30 HE2 LYS 30 -6.662 2.985 7.866 248 HE3 LYS 30 HE1 LYS 30 -6.870 1.463 8.732 249 HZ1 LYS 30 HZ1 LYS 30 -4.637 3.087 9.607 250 HZ2 LYS 30 HZ2 LYS 30 -5.779 2.235 10.518 251 HZ3 LYS 30 HZ3 LYS 30 -6.163 3.759 9.894 252 H THR 31 HN THR 31 -4.842 -0.141 3.072 253 HA THR 31 HA THR 31 -3.812 -2.282 4.411 254 HB THR 31 HB THR 31 -3.896 -1.994 1.411 255 HG1 THR 31 HG1 THR 31 -5.947 -3.018 1.711 256 HG21 THR 31 HG21 THR 31 -3.973 -4.335 1.275 257 HG22 THR 31 HG22 THR 31 -4.142 -4.505 3.021 258 HG23 THR 31 HG23 THR 31 -2.614 -3.957 2.336 259 H CYS 32 HN CYS 32 -2.014 -0.023 2.471 260 HA CYS 32 HA CYS 32 0.339 -1.684 2.331 261 HB2 CYS 32 HB2 CYS 32 0.138 -0.062 0.599 262 HB3 CYS 32 HB1 CYS 32 -0.103 1.248 1.749 263 H GLY 33 HN GLY 33 -1.081 0.226 4.708 264 HA2 GLY 33 HA2 GLY 33 -0.404 0.312 6.949 265 HA3 GLY 33 HA1 GLY 33 1.201 -0.203 6.460 266 H THR 34 HN THR 34 -0.686 2.575 5.267 267 HA THR 34 HA THR 34 1.302 4.337 6.530 268 HB THR 34 HB THR 34 2.003 4.255 4.257 269 HG1 THR 34 HG1 THR 34 2.100 6.338 4.036 270 HG21 THR 34 HG21 THR 34 0.639 4.714 2.356 271 HG22 THR 34 HG22 THR 34 -0.771 4.979 3.381 272 HG23 THR 34 HG23 THR 34 -0.063 3.368 3.253 273 H CYS 35 HN CYS 35 -1.969 3.936 5.302 274 HA CYS 35 HA CYS 35 -2.861 6.554 5.938 275 HB2 CYS 35 HB2 CYS 35 -4.026 4.900 4.411 276 HB3 CYS 35 HB1 CYS 35 -4.597 4.086 5.864 Start of MODEL 20 1 H1 ALA 2 HT1 ALA 2 -12.389 9.730 0.188 2 H2 ALA 2 HT2 ALA 2 -12.465 8.130 -0.428 3 H3 ALA 2 HT3 ALA 2 -10.969 8.969 -0.395 4 HA ALA 2 HA ALA 2 -11.318 9.113 2.075 5 HB1 ALA 2 HB1 ALA 2 -12.919 7.877 3.079 6 HB2 ALA 2 HB2 ALA 2 -12.856 6.604 1.860 7 HB3 ALA 2 HB3 ALA 2 -13.740 8.094 1.533 8 H CYS 3 HN CYS 3 -10.169 7.509 3.365 9 HA CYS 3 HA CYS 3 -8.034 6.340 1.941 10 HB2 CYS 3 HB2 CYS 3 -7.769 7.114 4.239 11 HB3 CYS 3 HB1 CYS 3 -8.927 5.913 4.801 12 H LYS 4 HN LYS 4 -7.885 4.448 0.944 13 HA LYS 4 HA LYS 4 -9.307 2.122 1.913 14 HB2 LYS 4 HB2 LYS 4 -10.149 3.621 -0.490 15 HB3 LYS 4 HB1 LYS 4 -10.005 1.882 -0.703 16 HG2 LYS 4 HG2 LYS 4 -11.414 1.801 1.502 17 HG3 LYS 4 HG1 LYS 4 -11.871 3.436 1.019 18 HD2 LYS 4 HD2 LYS 4 -12.679 2.617 -1.111 19 HD3 LYS 4 HD1 LYS 4 -12.128 0.986 -0.724 20 HE2 LYS 4 HE2 LYS 4 -13.792 0.660 0.855 21 HE3 LYS 4 HE1 LYS 4 -14.047 2.389 1.089 22 HZ1 LYS 4 HZ1 LYS 4 -15.681 0.875 -0.331 23 HZ2 LYS 4 HZ2 LYS 4 -14.620 1.336 -1.565 24 HZ3 LYS 4 HZ3 LYS 4 -15.436 2.515 -0.668 25 H ASP 5 HN ASP 5 -8.947 0.361 -0.086 26 HA ASP 5 HA ASP 5 -6.066 0.480 -0.609 27 HB2 ASP 5 HB2 ASP 5 -5.982 -1.945 -0.310 28 HB3 ASP 5 HB1 ASP 5 -6.615 -1.155 1.129 29 H TYR 6 HN TYR 6 -5.473 0.388 -2.633 30 HA TYR 6 HA TYR 6 -7.375 -0.006 -4.737 31 HB2 TYR 6 HB2 TYR 6 -5.064 1.405 -4.546 32 HB3 TYR 6 HB1 TYR 6 -4.495 -0.018 -5.412 33 HD1 TYR 6 HD1 TYR 6 -5.458 -0.581 -7.626 34 HD2 TYR 6 HD2 TYR 6 -6.453 3.029 -5.608 35 HE1 TYR 6 HE1 TYR 6 -6.320 0.351 -9.732 36 HE2 TYR 6 HE2 TYR 6 -7.319 3.971 -7.708 37 HH TYR 6 HH TYR 6 -8.169 3.221 -9.852 38 H LEU 7 HN LEU 7 -5.610 -2.148 -2.858 39 HA LEU 7 HA LEU 7 -6.122 -4.305 -4.747 40 HB2 LEU 7 HB2 LEU 7 -3.415 -3.460 -3.831 41 HB3 LEU 7 HB1 LEU 7 -3.718 -5.152 -4.045 42 HG LEU 7 HG LEU 7 -4.472 -3.352 -6.273 43 HD11 LEU 7 HD11 LEU 7 -2.369 -2.423 -5.933 44 HD12 LEU 7 HD12 LEU 7 -2.070 -3.700 -7.113 45 HD13 LEU 7 HD13 LEU 7 -1.672 -3.958 -5.415 46 HD21 LEU 7 HD21 LEU 7 -3.855 -6.179 -5.835 47 HD22 LEU 7 HD22 LEU 7 -3.168 -5.498 -7.307 48 HD23 LEU 7 HD23 LEU 7 -4.907 -5.416 -7.024 49 HA PRO 8 HA PRO 8 -6.812 -6.587 -1.034 50 HB2 PRO 8 HB2 PRO 8 -6.101 -9.085 -1.561 51 HB3 PRO 8 HB1 PRO 8 -7.378 -8.292 -2.494 52 HG2 PRO 8 HG2 PRO 8 -4.530 -8.772 -3.196 53 HG3 PRO 8 HG1 PRO 8 -5.974 -8.907 -4.212 54 HD2 PRO 8 HD2 PRO 8 -4.250 -6.737 -4.141 55 HD3 PRO 8 HD1 PRO 8 -5.887 -6.673 -4.780 56 H LYS 9 HN LYS 9 -5.932 -7.927 0.662 57 HA LYS 9 HA LYS 9 -3.683 -6.845 1.841 58 HB2 LYS 9 HB2 LYS 9 -4.783 -9.607 2.366 59 HB3 LYS 9 HB1 LYS 9 -3.818 -8.636 3.469 60 HG2 LYS 9 HG2 LYS 9 -6.293 -7.372 2.501 61 HG3 LYS 9 HG1 LYS 9 -6.503 -8.783 3.541 62 HD2 LYS 9 HD2 LYS 9 -5.296 -7.776 5.309 63 HD3 LYS 9 HD1 LYS 9 -4.686 -6.494 4.260 64 HE2 LYS 9 HE2 LYS 9 -6.400 -5.518 5.561 65 HE3 LYS 9 HE1 LYS 9 -7.087 -5.773 3.957 66 HZ1 LYS 9 HZ1 LYS 9 -7.437 -7.798 6.071 67 HZ2 LYS 9 HZ2 LYS 9 -8.388 -7.515 4.701 68 HZ3 LYS 9 HZ3 LYS 9 -8.450 -6.444 6.009 69 H SER 10 HN SER 10 -3.836 -9.339 -0.542 70 HA SER 10 HA SER 10 -1.259 -10.456 0.060 71 HB2 SER 10 HB2 SER 10 -3.430 -11.366 -1.320 72 HB3 SER 10 HB1 SER 10 -2.347 -10.915 -2.636 73 HG SER 10 HG SER 10 -0.722 -12.170 -1.372 74 H GLU 11 HN GLU 11 -2.377 -7.755 -1.786 75 HA GLU 11 HA GLU 11 0.110 -7.648 -3.333 76 HB2 GLU 11 HB2 GLU 11 -2.610 -6.671 -3.622 77 HB3 GLU 11 HB1 GLU 11 -1.428 -5.424 -3.965 78 HG2 GLU 11 HG2 GLU 11 -0.795 -7.962 -5.237 79 HG3 GLU 11 HG1 GLU 11 -2.377 -7.336 -5.709 80 H CYS 12 HN CYS 12 -1.734 -5.871 -0.948 81 HA CYS 12 HA CYS 12 0.365 -3.856 -0.768 82 HB2 CYS 12 HB2 CYS 12 -2.496 -4.021 -0.030 83 HB3 CYS 12 HB1 CYS 12 -1.479 -2.979 0.975 84 H THR 13 HN THR 13 1.992 -4.422 0.466 85 HA THR 13 HA THR 13 1.417 -5.725 3.045 86 HB THR 13 HB THR 13 3.857 -6.551 2.792 87 HG1 THR 13 HG1 THR 13 3.306 -6.001 0.071 88 HG21 THR 13 HG21 THR 13 1.737 -7.934 2.411 89 HG22 THR 13 HG22 THR 13 3.238 -8.510 1.685 90 HG23 THR 13 HG23 THR 13 2.038 -7.680 0.688 91 H GLN 14 HN GLN 14 2.468 -4.954 4.874 92 HA GLN 14 HA GLN 14 2.996 -2.258 5.096 93 HB2 GLN 14 HB2 GLN 14 4.368 -4.362 6.771 94 HB3 GLN 14 HB1 GLN 14 3.951 -2.720 7.243 95 HG2 GLN 14 HG2 GLN 14 2.074 -5.020 6.759 96 HG3 GLN 14 HG1 GLN 14 2.409 -4.201 8.283 97 HE21 GLN 14 HE21 GLN 14 0.574 -4.181 5.374 98 HE22 GLN 14 HE22 GLN 14 -0.365 -2.774 5.720 99 H PHE 15 HN PHE 15 5.022 -4.810 3.973 100 HA PHE 15 HA PHE 15 7.542 -3.585 4.142 101 HB2 PHE 15 HB2 PHE 15 6.324 -5.890 2.811 102 HB3 PHE 15 HB1 PHE 15 7.649 -5.192 1.898 103 HD1 PHE 15 HD2 PHE 15 9.874 -4.882 3.095 104 HD2 PHE 15 HD1 PHE 15 6.719 -7.291 4.626 105 HE1 PHE 15 HE2 PHE 15 11.480 -6.057 4.537 106 HE2 PHE 15 HE1 PHE 15 8.319 -8.473 6.074 107 HZ PHE 15 HZ PHE 15 10.704 -7.857 6.031 108 H ARG 16 HN ARG 16 4.961 -3.415 1.772 109 HA ARG 16 HA ARG 16 6.337 -2.143 -0.306 110 HB2 ARG 16 HB2 ARG 16 3.427 -1.813 0.430 111 HB3 ARG 16 HB1 ARG 16 4.147 -1.505 -1.135 112 HG2 ARG 16 HG2 ARG 16 4.116 -4.186 0.184 113 HG3 ARG 16 HG1 ARG 16 2.906 -3.633 -0.974 114 HD2 ARG 16 HD2 ARG 16 4.230 -4.439 -2.574 115 HD3 ARG 16 HD1 ARG 16 5.335 -3.114 -2.212 116 HE ARG 16 HE ARG 16 6.067 -4.972 -0.417 117 HH11 ARG 16 HH11 ARG 16 5.536 -5.144 -3.864 118 HH12 ARG 16 HH12 ARG 16 6.687 -6.415 -4.103 119 HH21 ARG 16 HH21 ARG 16 7.582 -6.641 -0.732 120 HH22 ARG 16 HH22 ARG 16 7.849 -7.265 -2.326 121 H CYS 17 HN CYS 17 4.589 -0.758 2.458 122 HA CYS 17 HA CYS 17 4.985 1.916 1.610 123 HB2 CYS 17 HB2 CYS 17 4.152 0.663 4.194 124 HB3 CYS 17 HB1 CYS 17 4.566 2.372 4.144 125 H ARG 18 HN ARG 18 6.922 -0.345 3.352 126 HA ARG 18 HA ARG 18 8.692 1.422 4.638 127 HB2 ARG 18 HB2 ARG 18 8.426 -1.352 4.359 128 HB3 ARG 18 HB1 ARG 18 10.032 -0.963 3.719 129 HG2 ARG 18 HG2 ARG 18 10.575 0.168 5.825 130 HG3 ARG 18 HG1 ARG 18 8.976 -0.229 6.459 131 HD2 ARG 18 HD2 ARG 18 9.860 -2.671 5.648 132 HD3 ARG 18 HD1 ARG 18 11.365 -1.908 6.161 133 HE ARG 18 HE ARG 18 10.677 -2.156 8.316 134 HH11 ARG 18 HH11 ARG 18 7.859 -2.248 6.260 135 HH12 ARG 18 HH12 ARG 18 6.770 -2.612 7.557 136 HH21 ARG 18 HH21 ARG 18 9.247 -2.636 10.024 137 HH22 ARG 18 HH22 ARG 18 7.558 -2.832 9.694 138 H THR 19 HN THR 19 8.966 -0.317 1.634 139 HA THR 19 HA THR 19 11.213 1.403 0.880 140 HB THR 19 HB THR 19 11.887 -0.799 1.299 141 HG1 THR 19 HG1 THR 19 12.766 -1.329 -0.645 142 HG21 THR 19 HG21 THR 19 9.835 -1.954 1.322 143 HG22 THR 19 HG22 THR 19 10.907 -2.752 0.163 144 HG23 THR 19 HG23 THR 19 9.603 -1.711 -0.412 145 H SER 20 HN SER 20 8.169 0.058 -0.250 146 HA SER 20 HA SER 20 8.549 1.139 -2.923 147 HB2 SER 20 HB2 SER 20 6.829 -0.849 -1.698 148 HB3 SER 20 HB1 SER 20 5.904 0.263 -2.705 149 HG SER 20 HG SER 20 6.678 -1.445 -3.956 150 H MET 21 HN MET 21 8.248 3.243 -3.223 151 HA MET 21 HA MET 21 6.543 4.807 -1.517 152 HB2 MET 21 HB2 MET 21 8.543 5.316 -3.599 153 HB3 MET 21 HB1 MET 21 7.211 6.462 -3.598 154 HG2 MET 21 HG2 MET 21 8.407 7.559 -2.077 155 HG3 MET 21 HG1 MET 21 7.828 6.333 -0.951 156 HE1 MET 21 HE1 MET 21 11.341 8.015 -1.648 157 HE2 MET 21 HE2 MET 21 11.491 7.240 -0.071 158 HE3 MET 21 HE3 MET 21 10.017 8.113 -0.487 159 H LYS 22 HN LYS 22 6.258 3.289 -4.624 160 HA LYS 22 HA LYS 22 3.998 4.844 -5.472 161 HB2 LYS 22 HB2 LYS 22 5.579 3.798 -7.063 162 HB3 LYS 22 HB1 LYS 22 5.028 2.212 -6.541 163 HG2 LYS 22 HG2 LYS 22 2.777 3.808 -7.300 164 HG3 LYS 22 HG1 LYS 22 3.982 3.820 -8.588 165 HD2 LYS 22 HD2 LYS 22 2.937 1.325 -7.252 166 HD3 LYS 22 HD1 LYS 22 2.322 1.973 -8.774 167 HE2 LYS 22 HE2 LYS 22 4.466 1.674 -9.825 168 HE3 LYS 22 HE1 LYS 22 5.193 1.191 -8.292 169 HZ1 LYS 22 HZ1 LYS 22 3.249 -0.593 -8.460 170 HZ2 LYS 22 HZ2 LYS 22 4.783 -0.851 -9.126 171 HZ3 LYS 22 HZ3 LYS 22 3.509 -0.335 -10.113 172 H TYR 23 HN TYR 23 4.429 2.079 -3.474 173 HA TYR 23 HA TYR 23 1.775 1.035 -3.899 174 HB2 TYR 23 HB2 TYR 23 4.023 0.329 -2.039 175 HB3 TYR 23 HB1 TYR 23 2.432 -0.409 -1.881 176 HD1 TYR 23 HD2 TYR 23 4.717 0.390 -4.730 177 HD2 TYR 23 HD1 TYR 23 2.347 -2.529 -2.747 178 HE1 TYR 23 HE2 TYR 23 5.323 -1.262 -6.451 179 HE2 TYR 23 HE1 TYR 23 2.942 -4.189 -4.455 180 HH TYR 23 HH TYR 23 5.441 -3.678 -6.723 181 H ARG 24 HN ARG 24 3.377 3.070 -1.540 182 HA ARG 24 HA ARG 24 1.424 2.943 0.482 183 HB2 ARG 24 HB2 ARG 24 3.122 5.361 -0.078 184 HB3 ARG 24 HB1 ARG 24 2.484 4.823 1.465 185 HG2 ARG 24 HG2 ARG 24 4.165 3.404 1.814 186 HG3 ARG 24 HG1 ARG 24 4.289 2.940 0.117 187 HD2 ARG 24 HD2 ARG 24 5.306 5.218 -0.281 188 HD3 ARG 24 HD1 ARG 24 5.387 5.392 1.470 189 HE ARG 24 HE ARG 24 6.617 2.984 0.448 190 HH11 ARG 24 HH11 ARG 24 7.089 6.346 1.291 191 HH12 ARG 24 HH12 ARG 24 8.796 6.177 1.524 192 HH21 ARG 24 HH21 ARG 24 8.861 2.768 0.769 193 HH22 ARG 24 HH22 ARG 24 9.802 4.147 1.227 194 H LEU 25 HN LEU 25 2.020 5.594 -1.800 195 HA LEU 25 HA LEU 25 -0.611 6.683 -1.217 196 HB2 LEU 25 HB2 LEU 25 1.449 7.842 -3.063 197 HB3 LEU 25 HB1 LEU 25 0.166 8.678 -2.203 198 HG LEU 25 HG LEU 25 1.940 9.299 -0.904 199 HD11 LEU 25 HD11 LEU 25 1.630 8.374 1.131 200 HD12 LEU 25 HD12 LEU 25 1.874 6.728 0.549 201 HD13 LEU 25 HD13 LEU 25 0.319 7.528 0.310 202 HD21 LEU 25 HD21 LEU 25 3.925 8.526 -1.534 203 HD22 LEU 25 HD22 LEU 25 3.223 7.037 -2.163 204 HD23 LEU 25 HD23 LEU 25 3.654 7.157 -0.456 205 H ASN 26 HN ASN 26 1.166 5.529 -4.067 206 HA ASN 26 HA ASN 26 -0.891 6.218 -5.887 207 HB2 ASN 26 HB2 ASN 26 1.726 5.495 -6.097 208 HB3 ASN 26 HB1 ASN 26 0.907 4.064 -6.726 209 HD21 ASN 26 HD21 ASN 26 0.272 7.550 -6.914 210 HD22 ASN 26 HD22 ASN 26 0.172 7.611 -8.638 211 H LEU 27 HN LEU 27 -0.154 3.173 -4.197 212 HA LEU 27 HA LEU 27 -2.393 1.912 -5.586 213 HB2 LEU 27 HB2 LEU 27 -0.090 0.918 -4.009 214 HB3 LEU 27 HB1 LEU 27 -1.565 -0.021 -3.912 215 HG LEU 27 HG LEU 27 -1.563 -0.115 -6.430 216 HD11 LEU 27 HD11 LEU 27 0.747 0.201 -7.425 217 HD12 LEU 27 HD12 LEU 27 1.127 1.136 -5.978 218 HD13 LEU 27 HD13 LEU 27 -0.167 1.664 -7.055 219 HD21 LEU 27 HD21 LEU 27 -0.753 -1.915 -4.854 220 HD22 LEU 27 HD22 LEU 27 0.882 -1.343 -5.185 221 HD23 LEU 27 HD23 LEU 27 -0.113 -1.977 -6.496 222 H CYS 28 HN CYS 28 -1.938 0.690 -2.401 223 HA CYS 28 HA CYS 28 -4.540 1.780 -1.640 224 HB2 CYS 28 HB2 CYS 28 -4.429 0.115 0.146 225 HB3 CYS 28 HB1 CYS 28 -4.095 -0.637 -1.417 226 H LYS 29 HN LYS 29 -4.864 2.907 0.267 227 HA LYS 29 HA LYS 29 -2.615 4.473 1.158 228 HB2 LYS 29 HB2 LYS 29 -5.543 4.547 1.885 229 HB3 LYS 29 HB1 LYS 29 -4.340 5.653 2.537 230 HG2 LYS 29 HG2 LYS 29 -4.262 5.525 -0.362 231 HG3 LYS 29 HG1 LYS 29 -5.842 6.022 0.253 232 HD2 LYS 29 HD2 LYS 29 -3.467 7.284 1.492 233 HD3 LYS 29 HD1 LYS 29 -3.834 7.742 -0.172 234 HE2 LYS 29 HE2 LYS 29 -5.213 9.243 0.761 235 HE3 LYS 29 HE1 LYS 29 -6.295 7.869 0.987 236 HZ1 LYS 29 HZ1 LYS 29 -4.282 8.634 3.016 237 HZ2 LYS 29 HZ2 LYS 29 -5.633 7.634 3.207 238 HZ3 LYS 29 HZ3 LYS 29 -5.837 9.300 2.999 239 H LYS 30 HN LYS 30 -5.099 2.536 2.790 240 HA LYS 30 HA LYS 30 -3.551 2.442 5.206 241 HB2 LYS 30 HB2 LYS 30 -5.904 2.669 5.435 242 HB3 LYS 30 HB1 LYS 30 -6.200 1.256 4.430 243 HG2 LYS 30 HG2 LYS 30 -6.567 0.531 6.622 244 HG3 LYS 30 HG1 LYS 30 -4.962 -0.073 6.199 245 HD2 LYS 30 HD2 LYS 30 -4.592 0.799 8.299 246 HD3 LYS 30 HD1 LYS 30 -4.143 2.155 7.263 247 HE2 LYS 30 HE2 LYS 30 -6.681 2.783 7.550 248 HE3 LYS 30 HE1 LYS 30 -6.536 1.798 9.004 249 HZ1 LYS 30 HZ1 LYS 30 -5.883 3.746 9.887 250 HZ2 LYS 30 HZ2 LYS 30 -5.392 4.399 8.406 251 HZ3 LYS 30 HZ3 LYS 30 -4.378 3.329 9.235 252 H THR 31 HN THR 31 -4.796 -0.132 3.028 253 HA THR 31 HA THR 31 -3.778 -2.277 4.374 254 HB THR 31 HB THR 31 -3.893 -1.996 1.375 255 HG1 THR 31 HG1 THR 31 -5.796 -2.809 3.308 256 HG21 THR 31 HG21 THR 31 -4.144 -4.514 2.970 257 HG22 THR 31 HG22 THR 31 -2.605 -3.965 2.310 258 HG23 THR 31 HG23 THR 31 -3.954 -4.328 1.228 259 H CYS 32 HN CYS 32 -1.977 -0.037 2.420 260 HA CYS 32 HA CYS 32 0.353 -1.720 2.241 261 HB2 CYS 32 HB2 CYS 32 0.170 -0.071 0.540 262 HB3 CYS 32 HB1 CYS 32 -0.058 1.225 1.708 263 H GLY 33 HN GLY 33 -1.018 0.160 4.673 264 HA2 GLY 33 HA2 GLY 33 -0.312 0.177 6.908 265 HA3 GLY 33 HA1 GLY 33 1.281 -0.335 6.386 266 H THR 34 HN THR 34 -0.535 2.483 5.199 267 HA THR 34 HA THR 34 1.466 4.195 6.520 268 HB THR 34 HB THR 34 2.116 4.182 4.231 269 HG1 THR 34 HG1 THR 34 2.144 6.284 3.966 270 HG21 THR 34 HG21 THR 34 0.030 3.322 3.248 271 HG22 THR 34 HG22 THR 34 0.705 4.698 2.376 272 HG23 THR 34 HG23 THR 34 -0.679 4.925 3.444 273 H CYS 35 HN CYS 35 -1.825 3.830 5.372 274 HA CYS 35 HA CYS 35 -2.801 6.388 5.901 275 HB2 CYS 35 HB2 CYS 35 -3.965 4.345 4.811 276 HB3 CYS 35 HB1 CYS 35 -4.439 3.931 6.452
Contact the webmaster for help, if required. Friday, May 3, 2024 1:31:45 AM GMT (wattos1)