NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
633957 | 6f61 | 34212 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 1.727 -0.819 -1.859 3 HA3 GLY 1 HA3 GLY 1 1.880 0.929 -1.766 4 H TYR 2 H TYR 2 3.765 1.841 -0.860 5 HA TYR 2 HA TYR 2 5.914 0.222 0.093 6 HB2 TYR 2 HB2 TYR 2 6.115 -0.334 -2.272 7 HB3 TYR 2 HB3 TYR 2 6.141 1.374 -2.696 8 HD1 TYR 2 HD1 TYR 2 7.948 -0.479 -0.008 9 HD2 TYR 2 HD2 TYR 2 8.240 1.797 -3.591 10 HE1 TYR 2 HE1 TYR 2 10.398 -0.469 0.205 11 HE2 TYR 2 HE2 TYR 2 10.691 1.812 -3.389 12 HH TYR 2 HH TYR 2 12.408 -0.190 -1.679 13 H CYS 3 H CYS 3 6.555 1.525 1.676 14 HA CYS 3 HA CYS 3 6.698 4.413 1.197 15 HB2 CYS 3 HB2 CYS 3 7.228 3.294 3.897 16 HB3 CYS 3 HB3 CYS 3 6.336 4.739 3.432 17 H ALA 4 H ALA 4 8.549 5.267 2.935 18 HA ALA 4 HA ALA 4 11.018 4.384 1.687 19 HB1 ALA 4 HB1 ALA 4 10.243 6.720 3.389 20 HB2 ALA 4 HB2 ALA 4 11.942 6.311 3.151 21 HB3 ALA 4 HB3 ALA 4 10.925 6.697 1.762 22 H THR 5 H THR 5 11.978 2.652 2.534 23 HA THR 5 HA THR 5 11.724 2.005 5.342 24 HB THR 5 HB THR 5 13.372 0.116 4.617 25 HG1 THR 5 HG1 THR 5 13.089 -0.287 2.303 26 HG21 THR 5 HG21 THR 5 11.075 -0.608 3.140 27 HG22 THR 5 HG22 THR 5 10.534 0.437 4.454 28 HG23 THR 5 HG23 THR 5 11.465 -1.018 4.810 29 H LYS 6 H LYS 6 13.828 1.211 6.443 30 HA LYS 6 HA LYS 6 15.415 3.342 7.101 31 HB2 LYS 6 HB2 LYS 6 16.796 1.850 8.262 32 HB3 LYS 6 HB3 LYS 6 15.245 1.022 8.199 33 HG2 LYS 6 HG2 LYS 6 16.046 -0.312 6.303 34 HG3 LYS 6 HG3 LYS 6 17.610 0.501 6.407 35 HD2 LYS 6 HD2 LYS 6 17.939 -0.377 8.652 36 HD3 LYS 6 HD3 LYS 6 16.348 -1.140 8.605 37 HE2 LYS 6 HE2 LYS 6 17.531 -2.099 6.328 38 HE3 LYS 6 HE3 LYS 6 18.890 -2.008 7.447 39 HZ1 LYS 6 HZ1 LYS 6 16.818 -3.104 8.888 40 HZ2 LYS 6 HZ2 LYS 6 18.175 -3.915 8.286 41 HZ3 LYS 6 HZ3 LYS 6 16.747 -3.869 7.380 42 H GLY 7 H GLY 7 17.251 4.288 6.358 43 HA2 GLY 7 HA2 GLY 7 19.199 4.513 5.077 44 HA3 GLY 7 HA3 GLY 7 18.785 3.030 4.229 45 H ILE 8 H ILE 8 15.980 4.449 4.033 46 HA ILE 8 HA ILE 8 16.574 5.642 1.438 47 HB ILE 8 HB ILE 8 13.872 5.088 2.664 48 HG12 ILE 8 HG12 ILE 8 15.225 3.026 2.404 49 HG13 ILE 8 HG13 ILE 8 13.827 3.053 1.335 50 HG21 ILE 8 HG21 ILE 8 14.805 6.199 0.101 51 HG22 ILE 8 HG22 ILE 8 13.517 4.999 -0.006 52 HG23 ILE 8 HG23 ILE 8 13.289 6.453 0.966 53 HD11 ILE 8 HD11 ILE 8 16.044 4.200 -0.030 54 HD12 ILE 8 HD12 ILE 8 16.529 2.653 0.666 55 HD13 ILE 8 HD13 ILE 8 15.136 2.737 -0.412 56 H LYS 9 H LYS 9 16.552 7.761 1.066 57 HA LYS 9 HA LYS 9 16.493 9.690 3.035 58 HB2 LYS 9 HB2 LYS 9 15.737 10.055 0.129 59 HB3 LYS 9 HB3 LYS 9 16.229 11.333 1.233 60 HG2 LYS 9 HG2 LYS 9 18.145 9.136 1.044 61 HG3 LYS 9 HG3 LYS 9 17.879 9.996 -0.474 62 HD2 LYS 9 HD2 LYS 9 18.456 12.091 0.538 63 HD3 LYS 9 HD3 LYS 9 18.512 11.356 2.142 64 HE2 LYS 9 HE2 LYS 9 20.322 9.820 1.073 65 HE3 LYS 9 HE3 LYS 9 20.435 11.099 -0.135 66 HZ1 LYS 9 HZ1 LYS 9 22.040 11.472 1.593 67 HZ2 LYS 9 HZ2 LYS 9 20.848 11.397 2.791 68 HZ3 LYS 9 HZ3 LYS 9 20.855 12.676 1.684 69 H CYS 10 H CYS 10 14.970 10.997 3.946 70 HA CYS 10 HA CYS 10 12.165 10.483 3.204 71 HB2 CYS 10 HB2 CYS 10 11.509 10.494 5.468 72 HB3 CYS 10 HB3 CYS 10 12.970 9.512 5.433 73 H ASN 11 H ASN 11 14.188 12.630 2.495 74 HA ASN 11 HA ASN 11 13.605 15.047 3.733 75 HB2 ASN 11 HB2 ASN 11 14.621 14.259 1.045 76 HB3 ASN 11 HB3 ASN 11 14.089 15.923 1.261 77 HD21 ASN 11 HD21 ASN 11 16.766 14.596 0.883 78 HD22 ASN 11 HD22 ASN 11 17.745 15.247 2.150 79 H ASP 12 H ASP 12 11.716 13.166 1.532 80 HA ASP 12 HA ASP 12 9.572 15.152 1.718 81 HB2 ASP 12 HB2 ASP 12 10.839 15.323 -0.501 82 HB3 ASP 12 HB3 ASP 12 10.155 13.746 -0.884 83 H ILE 13 H ILE 13 10.457 11.876 0.664 84 HA ILE 13 HA ILE 13 7.782 10.881 0.880 85 HB ILE 13 HB ILE 13 9.511 9.899 -0.635 86 HG12 ILE 13 HG12 ILE 13 8.791 7.597 1.045 87 HG13 ILE 13 HG13 ILE 13 7.446 8.678 0.694 88 HG21 ILE 13 HG21 ILE 13 10.619 8.666 1.881 89 HG22 ILE 13 HG22 ILE 13 11.204 8.439 0.233 90 HG23 ILE 13 HG23 ILE 13 11.366 10.010 1.017 91 HD11 ILE 13 HD11 ILE 13 7.219 7.541 -1.196 92 HD12 ILE 13 HD12 ILE 13 8.676 8.367 -1.750 93 HD13 ILE 13 HD13 ILE 13 8.794 6.769 -1.014 94 H HIS 14 H HIS 14 6.866 9.634 2.475 95 HA HIS 14 HA HIS 14 8.148 9.818 5.094 96 HB2 HIS 14 HB2 HIS 14 5.320 9.301 4.200 97 HB3 HIS 14 HB3 HIS 14 5.828 9.000 5.859 98 HD1 HIS 14 HD1 HIS 14 6.800 11.958 3.697 99 HD2 HIS 14 HD2 HIS 14 4.636 11.093 7.136 100 HE1 HIS 14 HE1 HIS 14 6.159 14.188 4.667 101 H CYS 15 H CYS 15 8.166 7.994 6.541 102 HA CYS 15 HA CYS 15 8.760 5.518 5.129 103 HB2 CYS 15 HB2 CYS 15 9.024 5.808 8.095 104 HB3 CYS 15 HB3 CYS 15 10.023 4.895 6.968 105 H CYS 16 H CYS 16 7.907 3.477 5.795 106 HA CYS 16 HA CYS 16 5.118 3.463 6.146 107 HB2 CYS 16 HB2 CYS 16 7.266 1.426 6.018 108 HB3 CYS 16 HB3 CYS 16 5.770 0.929 6.803 109 H SER 17 H SER 17 3.863 2.612 7.894 110 HA SER 17 HA SER 17 4.340 3.744 10.359 111 HB2 SER 17 HB2 SER 17 2.718 1.248 9.802 112 HB3 SER 17 HB3 SER 17 2.578 2.270 11.232 113 HG SER 17 HG SER 17 2.246 3.976 9.432 114 H GLY 18 H GLY 18 6.074 3.417 11.597 115 HA2 GLY 18 HA2 GLY 18 6.747 1.654 13.323 116 HA3 GLY 18 HA3 GLY 18 7.072 0.660 11.910 117 H LEU 19 H LEU 19 7.934 3.364 10.624 118 HA LEU 19 HA LEU 19 10.657 3.316 11.747 119 HB2 LEU 19 HB2 LEU 19 9.730 3.843 8.930 120 HB3 LEU 19 HB3 LEU 19 11.386 4.075 9.486 121 HG LEU 19 HG LEU 19 9.952 1.424 9.539 122 HD11 LEU 19 HD11 LEU 19 11.252 0.851 7.561 123 HD12 LEU 19 HD12 LEU 19 11.902 2.489 7.501 124 HD13 LEU 19 HD13 LEU 19 10.180 2.214 7.239 125 HD21 LEU 19 HD21 LEU 19 12.910 1.873 9.588 126 HD22 LEU 19 HD22 LEU 19 11.982 0.476 10.134 127 HD23 LEU 19 HD23 LEU 19 11.963 1.970 11.073 128 H LYS 20 H LYS 20 11.857 5.318 11.687 129 HA LYS 20 HA LYS 20 10.094 7.664 11.933 130 HB2 LYS 20 HB2 LYS 20 12.712 6.993 13.275 131 HB3 LYS 20 HB3 LYS 20 11.994 8.597 13.332 132 HG2 LYS 20 HG2 LYS 20 10.107 7.801 14.534 133 HG3 LYS 20 HG3 LYS 20 10.574 6.119 14.272 134 HD2 LYS 20 HD2 LYS 20 11.258 6.524 16.458 135 HD3 LYS 20 HD3 LYS 20 12.738 6.762 15.526 136 HE2 LYS 20 HE2 LYS 20 12.613 8.561 17.061 137 HE3 LYS 20 HE3 LYS 20 12.179 9.218 15.484 138 HZ1 LYS 20 HZ1 LYS 20 10.742 9.869 17.452 139 HZ2 LYS 20 HZ2 LYS 20 10.123 8.296 17.398 140 HZ3 LYS 20 HZ3 LYS 20 9.937 9.324 16.068 141 H CYS 21 H CYS 21 10.707 9.631 11.023 142 HA CYS 21 HA CYS 21 12.564 9.380 8.780 143 HB2 CYS 21 HB2 CYS 21 10.450 10.243 8.123 144 HB3 CYS 21 HB3 CYS 21 10.416 11.383 9.464 145 H ASP 22 H ASP 22 14.580 9.610 9.679 146 HA ASP 22 HA ASP 22 15.310 11.468 11.645 147 HB2 ASP 22 HB2 ASP 22 16.594 9.412 10.627 148 HB3 ASP 22 HB3 ASP 22 17.263 10.624 9.539 149 H SER 23 H SER 23 14.808 13.568 11.385 150 HA SER 23 HA SER 23 14.970 14.917 8.872 151 HB2 SER 23 HB2 SER 23 14.691 16.981 10.442 152 HB3 SER 23 HB3 SER 23 13.359 15.836 10.288 153 HG SER 23 HG SER 23 14.445 16.583 12.497 154 H LYS 24 H LYS 24 17.261 14.067 11.193 155 HA LYS 24 HA LYS 24 19.029 16.315 10.740 156 HB2 LYS 24 HB2 LYS 24 19.441 13.721 12.238 157 HB3 LYS 24 HB3 LYS 24 20.601 15.042 12.185 158 HG2 LYS 24 HG2 LYS 24 18.540 16.430 13.067 159 HG3 LYS 24 HG3 LYS 24 18.013 14.841 13.627 160 HD2 LYS 24 HD2 LYS 24 20.823 15.626 14.173 161 HD3 LYS 24 HD3 LYS 24 19.556 16.432 15.100 162 HE2 LYS 24 HE2 LYS 24 19.470 14.664 16.441 163 HE3 LYS 24 HE3 LYS 24 18.907 13.697 15.078 164 HZ1 LYS 24 HZ1 LYS 24 21.111 13.137 16.416 165 HZ2 LYS 24 HZ2 LYS 24 21.776 14.169 15.252 166 HZ3 LYS 24 HZ3 LYS 24 20.934 12.783 14.771 167 H ARG 25 H ARG 25 18.877 12.883 9.876 168 HA ARG 25 HA ARG 25 21.172 13.251 8.086 169 HB2 ARG 25 HB2 ARG 25 19.790 10.734 9.033 170 HB3 ARG 25 HB3 ARG 25 21.159 10.771 7.930 171 HG2 ARG 25 HG2 ARG 25 22.087 12.243 10.032 172 HG3 ARG 25 HG3 ARG 25 21.077 11.039 10.835 173 HD2 ARG 25 HD2 ARG 25 22.427 9.315 10.244 174 HD3 ARG 25 HD3 ARG 25 22.870 10.051 8.704 175 HE ARG 25 HE ARG 25 24.677 11.028 9.725 176 HH11 ARG 25 HH11 ARG 25 22.493 9.817 12.151 177 HH12 ARG 25 HH12 ARG 25 23.591 10.091 13.462 178 HH21 ARG 25 HH21 ARG 25 26.131 11.394 11.443 179 HH22 ARG 25 HH22 ARG 25 25.660 10.990 13.059 180 H LYS 26 H LYS 26 17.968 13.643 7.916 181 HA LYS 26 HA LYS 26 16.386 13.586 6.277 182 HB2 LYS 26 HB2 LYS 26 18.827 13.654 4.494 183 HB3 LYS 26 HB3 LYS 26 17.187 14.056 4.002 184 HG2 LYS 26 HG2 LYS 26 17.158 15.987 5.391 185 HG3 LYS 26 HG3 LYS 26 18.674 15.523 6.166 186 HD2 LYS 26 HD2 LYS 26 19.207 15.591 3.413 187 HD3 LYS 26 HD3 LYS 26 18.243 17.030 3.754 188 HE2 LYS 26 HE2 LYS 26 19.810 17.547 5.623 189 HE3 LYS 26 HE3 LYS 26 20.811 16.194 5.097 190 HZ1 LYS 26 HZ1 LYS 26 20.084 18.406 3.272 191 HZ2 LYS 26 HZ2 LYS 26 21.322 17.267 3.098 192 HZ3 LYS 26 HZ3 LYS 26 21.449 18.482 4.269 193 H VAL 27 H VAL 27 16.958 11.079 7.307 194 HA VAL 27 HA VAL 27 16.195 9.409 5.055 195 HB VAL 27 HB VAL 27 17.833 7.621 5.745 196 HG11 VAL 27 HG11 VAL 27 18.165 8.871 3.709 197 HG12 VAL 27 HG12 VAL 27 18.917 10.194 4.604 198 HG13 VAL 27 HG13 VAL 27 19.721 8.626 4.502 199 HG21 VAL 27 HG21 VAL 27 19.624 9.686 6.871 200 HG22 VAL 27 HG22 VAL 27 18.315 9.125 7.911 201 HG23 VAL 27 HG23 VAL 27 19.481 7.972 7.261 202 H CYS 28 H CYS 28 15.462 7.245 5.764 203 HA CYS 28 HA CYS 28 13.920 7.489 8.198 204 HB2 CYS 28 HB2 CYS 28 14.043 5.339 6.076 205 HB3 CYS 28 HB3 CYS 28 12.973 5.276 7.473 206 H VAL 29 H VAL 29 14.114 6.266 10.033 207 HA VAL 29 HA VAL 29 16.357 4.368 10.168 208 HB VAL 29 HB VAL 29 16.827 5.219 12.486 209 HG11 VAL 29 HG11 VAL 29 17.438 7.591 10.951 210 HG12 VAL 29 HG12 VAL 29 18.519 6.342 11.573 211 HG13 VAL 29 HG13 VAL 29 17.722 6.124 10.015 212 HG21 VAL 29 HG21 VAL 29 14.504 6.541 12.304 213 HG22 VAL 29 HG22 VAL 29 15.814 7.043 13.373 214 HG23 VAL 29 HG23 VAL 29 15.607 7.824 11.806 215 H LYS 30 H LYS 30 16.255 3.150 12.352 216 HA LYS 30 HA LYS 30 13.790 1.760 12.438 217 HB2 LYS 30 HB2 LYS 30 15.968 0.722 12.977 218 HB3 LYS 30 HB3 LYS 30 16.066 1.711 14.428 219 HG2 LYS 30 HG2 LYS 30 13.848 0.622 15.094 220 HG3 LYS 30 HG3 LYS 30 14.199 -0.553 13.825 221 HD2 LYS 30 HD2 LYS 30 15.252 -1.644 15.498 222 HD3 LYS 30 HD3 LYS 30 16.565 -0.525 15.123 223 HE2 LYS 30 HE2 LYS 30 16.394 0.462 17.112 224 HE3 LYS 30 HE3 LYS 30 14.652 0.665 16.932 225 HZ1 LYS 30 HZ1 LYS 30 16.148 -1.448 18.272 226 HZ2 LYS 30 HZ2 LYS 30 14.736 -1.912 17.465 227 HZ3 LYS 30 HZ3 LYS 30 14.667 -0.742 18.685 228 H GLY 31 H GLY 31 12.088 1.862 13.830 229 HA2 GLY 31 HA2 GLY 31 11.760 4.308 15.314 230 HA3 GLY 31 HA3 GLY 31 10.575 3.021 15.144 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.460 2.305 -2.418 2 HA2 GLY 1 HA2 GLY 1 1.762 1.635 0.301 3 HA3 GLY 1 HA3 GLY 1 1.890 0.169 -0.659 4 H TYR 2 H TYR 2 4.061 -0.119 -0.074 5 HA TYR 2 HA TYR 2 6.319 0.095 -0.255 6 HB2 TYR 2 HB2 TYR 2 5.936 -0.218 -2.606 7 HB3 TYR 2 HB3 TYR 2 5.462 1.465 -2.808 8 HD1 TYR 2 HD1 TYR 2 7.023 2.911 -3.696 9 HD2 TYR 2 HD2 TYR 2 8.385 -0.524 -1.587 10 HE1 TYR 2 HE1 TYR 2 9.346 3.504 -4.244 11 HE2 TYR 2 HE2 TYR 2 10.713 0.060 -2.128 12 HH TYR 2 HH TYR 2 11.708 2.962 -3.078 13 H CYS 3 H CYS 3 6.622 1.405 1.559 14 HA CYS 3 HA CYS 3 6.745 4.300 1.111 15 HB2 CYS 3 HB2 CYS 3 7.249 3.157 3.806 16 HB3 CYS 3 HB3 CYS 3 6.350 4.599 3.345 17 H ALA 4 H ALA 4 8.564 5.134 2.908 18 HA ALA 4 HA ALA 4 11.058 4.294 1.676 19 HB1 ALA 4 HB1 ALA 4 10.987 6.595 1.771 20 HB2 ALA 4 HB2 ALA 4 10.216 6.613 3.358 21 HB3 ALA 4 HB3 ALA 4 11.927 6.210 3.214 22 H THR 5 H THR 5 12.010 2.553 2.516 23 HA THR 5 HA THR 5 11.727 1.878 5.314 24 HB THR 5 HB THR 5 13.381 -0.002 4.599 25 HG1 THR 5 HG1 THR 5 13.625 -0.284 2.444 26 HG21 THR 5 HG21 THR 5 10.548 0.322 4.369 27 HG22 THR 5 HG22 THR 5 11.470 -1.137 4.732 28 HG23 THR 5 HG23 THR 5 11.121 -0.707 3.058 29 H LYS 6 H LYS 6 13.827 1.073 6.425 30 HA LYS 6 HA LYS 6 15.394 3.202 7.133 31 HB2 LYS 6 HB2 LYS 6 15.317 1.080 8.372 32 HB3 LYS 6 HB3 LYS 6 16.230 0.296 7.090 33 HG2 LYS 6 HG2 LYS 6 17.825 2.429 7.744 34 HG3 LYS 6 HG3 LYS 6 17.148 1.950 9.302 35 HD2 LYS 6 HD2 LYS 6 18.873 0.493 9.297 36 HD3 LYS 6 HD3 LYS 6 17.785 -0.469 8.294 37 HE2 LYS 6 HE2 LYS 6 18.856 0.896 6.340 38 HE3 LYS 6 HE3 LYS 6 20.154 1.169 7.502 39 HZ1 LYS 6 HZ1 LYS 6 20.643 -0.757 6.182 40 HZ2 LYS 6 HZ2 LYS 6 19.154 -1.464 6.561 41 HZ3 LYS 6 HZ3 LYS 6 20.323 -1.255 7.766 42 H GLY 7 H GLY 7 17.160 4.228 6.367 43 HA2 GLY 7 HA2 GLY 7 19.150 4.455 5.129 44 HA3 GLY 7 HA3 GLY 7 18.733 3.002 4.233 45 H ILE 8 H ILE 8 15.944 4.199 3.895 46 HA ILE 8 HA ILE 8 16.549 5.552 1.408 47 HB ILE 8 HB ILE 8 13.825 4.998 2.579 48 HG12 ILE 8 HG12 ILE 8 15.158 2.919 2.396 49 HG13 ILE 8 HG13 ILE 8 13.802 2.942 1.274 50 HG21 ILE 8 HG21 ILE 8 13.236 6.272 0.835 51 HG22 ILE 8 HG22 ILE 8 14.822 6.135 0.078 52 HG23 ILE 8 HG23 ILE 8 13.628 4.856 -0.140 53 HD11 ILE 8 HD11 ILE 8 15.778 2.046 0.212 54 HD12 ILE 8 HD12 ILE 8 15.329 3.582 -0.531 55 HD13 ILE 8 HD13 ILE 8 16.679 3.510 0.602 56 H LYS 9 H LYS 9 16.571 7.679 1.114 57 HA LYS 9 HA LYS 9 16.446 9.552 3.132 58 HB2 LYS 9 HB2 LYS 9 15.765 10.031 0.225 59 HB3 LYS 9 HB3 LYS 9 16.287 11.246 1.385 60 HG2 LYS 9 HG2 LYS 9 18.151 9.029 1.188 61 HG3 LYS 9 HG3 LYS 9 17.899 9.849 -0.355 62 HD2 LYS 9 HD2 LYS 9 18.306 12.019 0.864 63 HD3 LYS 9 HD3 LYS 9 18.815 11.053 2.251 64 HE2 LYS 9 HE2 LYS 9 20.853 10.984 1.369 65 HE3 LYS 9 HE3 LYS 9 20.198 10.002 0.060 66 HZ1 LYS 9 HZ1 LYS 9 19.896 11.887 -1.281 67 HZ2 LYS 9 HZ2 LYS 9 21.433 12.079 -0.603 68 HZ3 LYS 9 HZ3 LYS 9 20.125 12.961 0.006 69 H CYS 10 H CYS 10 14.898 10.887 3.986 70 HA CYS 10 HA CYS 10 12.117 10.375 3.155 71 HB2 CYS 10 HB2 CYS 10 11.390 10.387 5.406 72 HB3 CYS 10 HB3 CYS 10 12.824 9.366 5.389 73 H ASN 11 H ASN 11 14.124 12.519 2.488 74 HA ASN 11 HA ASN 11 13.523 14.928 3.749 75 HB2 ASN 11 HB2 ASN 11 14.621 14.155 1.093 76 HB3 ASN 11 HB3 ASN 11 14.058 15.813 1.281 77 HD21 ASN 11 HD21 ASN 11 16.765 14.576 0.970 78 HD22 ASN 11 HD22 ASN 11 17.694 15.228 2.273 79 H ASP 12 H ASP 12 11.669 13.051 1.529 80 HA ASP 12 HA ASP 12 9.529 15.042 1.664 81 HB2 ASP 12 HB2 ASP 12 9.011 14.619 -0.761 82 HB3 ASP 12 HB3 ASP 12 10.502 15.512 -0.474 83 H ILE 13 H ILE 13 10.471 11.762 0.704 84 HA ILE 13 HA ILE 13 7.779 10.767 0.827 85 HB ILE 13 HB ILE 13 9.533 9.793 -0.661 86 HG12 ILE 13 HG12 ILE 13 8.776 7.495 1.019 87 HG13 ILE 13 HG13 ILE 13 7.444 8.568 0.605 88 HG21 ILE 13 HG21 ILE 13 10.603 8.552 1.868 89 HG22 ILE 13 HG22 ILE 13 11.215 8.334 0.229 90 HG23 ILE 13 HG23 ILE 13 11.360 9.902 1.023 91 HD11 ILE 13 HD11 ILE 13 8.395 8.336 -1.812 92 HD12 ILE 13 HD12 ILE 13 9.130 6.870 -1.161 93 HD13 ILE 13 HD13 ILE 13 7.378 7.071 -1.122 94 H HIS 14 H HIS 14 6.845 9.491 2.396 95 HA HIS 14 HA HIS 14 8.071 9.682 5.042 96 HB2 HIS 14 HB2 HIS 14 5.289 9.349 4.024 97 HB3 HIS 14 HB3 HIS 14 5.668 8.685 5.610 98 HD1 HIS 14 HD1 HIS 14 7.104 10.656 7.114 99 HD2 HIS 14 HD2 HIS 14 4.326 11.849 4.265 100 HE1 HIS 14 HE1 HIS 14 6.468 13.007 7.739 101 H CYS 15 H CYS 15 8.104 7.858 6.477 102 HA CYS 15 HA CYS 15 8.739 5.391 5.069 103 HB2 CYS 15 HB2 CYS 15 8.964 5.688 8.039 104 HB3 CYS 15 HB3 CYS 15 9.980 4.774 6.928 105 H CYS 16 H CYS 16 7.891 3.343 5.699 106 HA CYS 16 HA CYS 16 5.101 3.298 6.025 107 HB2 CYS 16 HB2 CYS 16 7.273 1.282 5.919 108 HB3 CYS 16 HB3 CYS 16 5.770 0.768 6.679 109 H SER 17 H SER 17 3.829 2.452 7.753 110 HA SER 17 HA SER 17 4.277 3.571 10.230 111 HB2 SER 17 HB2 SER 17 2.488 2.137 11.068 112 HB3 SER 17 HB3 SER 17 2.085 2.715 9.452 113 HG SER 17 HG SER 17 2.774 0.699 8.637 114 H GLY 18 H GLY 18 5.988 3.236 11.495 115 HA2 GLY 18 HA2 GLY 18 6.643 1.469 13.219 116 HA3 GLY 18 HA3 GLY 18 6.980 0.476 11.808 117 H LEU 19 H LEU 19 7.860 3.188 10.542 118 HA LEU 19 HA LEU 19 10.572 3.129 11.693 119 HB2 LEU 19 HB2 LEU 19 9.674 3.642 8.864 120 HB3 LEU 19 HB3 LEU 19 11.323 3.893 9.434 121 HG LEU 19 HG LEU 19 9.911 1.229 9.484 122 HD11 LEU 19 HD11 LEU 19 11.232 0.655 7.527 123 HD12 LEU 19 HD12 LEU 19 11.897 2.288 7.476 124 HD13 LEU 19 HD13 LEU 19 10.177 2.027 7.183 125 HD21 LEU 19 HD21 LEU 19 11.866 1.760 11.062 126 HD22 LEU 19 HD22 LEU 19 12.863 1.746 9.607 127 HD23 LEU 19 HD23 LEU 19 11.967 0.301 10.077 128 H LYS 20 H LYS 20 11.739 5.102 11.794 129 HA LYS 20 HA LYS 20 9.990 7.458 11.970 130 HB2 LYS 20 HB2 LYS 20 12.388 6.546 13.477 131 HB3 LYS 20 HB3 LYS 20 12.177 8.279 13.265 132 HG2 LYS 20 HG2 LYS 20 9.759 7.794 14.126 133 HG3 LYS 20 HG3 LYS 20 10.507 6.337 14.785 134 HD2 LYS 20 HD2 LYS 20 12.276 7.936 15.753 135 HD3 LYS 20 HD3 LYS 20 11.105 9.211 15.412 136 HE2 LYS 20 HE2 LYS 20 9.492 8.222 16.858 137 HE3 LYS 20 HE3 LYS 20 10.455 6.755 17.029 138 HZ1 LYS 20 HZ1 LYS 20 11.928 9.065 17.802 139 HZ2 LYS 20 HZ2 LYS 20 11.598 7.660 18.684 140 HZ3 LYS 20 HZ3 LYS 20 10.491 8.940 18.687 141 H CYS 21 H CYS 21 10.569 9.405 11.028 142 HA CYS 21 HA CYS 21 12.490 9.174 8.837 143 HB2 CYS 21 HB2 CYS 21 10.383 9.985 8.108 144 HB3 CYS 21 HB3 CYS 21 10.272 11.124 9.446 145 H ASP 22 H ASP 22 14.483 9.478 9.744 146 HA ASP 22 HA ASP 22 15.119 11.368 11.721 147 HB2 ASP 22 HB2 ASP 22 16.471 9.326 10.726 148 HB3 ASP 22 HB3 ASP 22 17.160 10.570 9.687 149 H SER 23 H SER 23 14.588 13.454 11.425 150 HA SER 23 HA SER 23 14.771 14.776 8.900 151 HB2 SER 23 HB2 SER 23 13.189 15.333 10.846 152 HB3 SER 23 HB3 SER 23 14.567 16.161 11.571 153 HG SER 23 HG SER 23 14.672 17.273 9.427 154 H LYS 24 H LYS 24 17.034 14.000 11.273 155 HA LYS 24 HA LYS 24 18.768 16.276 10.823 156 HB2 LYS 24 HB2 LYS 24 18.974 13.769 12.472 157 HB3 LYS 24 HB3 LYS 24 20.371 14.809 12.225 158 HG2 LYS 24 HG2 LYS 24 18.661 16.667 13.027 159 HG3 LYS 24 HG3 LYS 24 17.911 15.274 13.810 160 HD2 LYS 24 HD2 LYS 24 20.010 14.747 14.923 161 HD3 LYS 24 HD3 LYS 24 20.802 16.093 14.101 162 HE2 LYS 24 HE2 LYS 24 19.538 17.691 15.291 163 HE3 LYS 24 HE3 LYS 24 18.397 16.475 15.863 164 HZ1 LYS 24 HZ1 LYS 24 19.641 16.526 17.704 165 HZ2 LYS 24 HZ2 LYS 24 20.968 17.233 16.931 166 HZ3 LYS 24 HZ3 LYS 24 20.728 15.562 16.837 167 H ARG 25 H ARG 25 18.682 12.836 9.987 168 HA ARG 25 HA ARG 25 21.012 13.218 8.246 169 HB2 ARG 25 HB2 ARG 25 19.648 10.717 9.251 170 HB3 ARG 25 HB3 ARG 25 20.967 10.711 8.088 171 HG2 ARG 25 HG2 ARG 25 22.151 12.138 9.975 172 HG3 ARG 25 HG3 ARG 25 21.000 11.274 10.997 173 HD2 ARG 25 HD2 ARG 25 22.447 9.638 9.017 174 HD3 ARG 25 HD3 ARG 25 23.428 10.317 10.315 175 HE ARG 25 HE ARG 25 21.486 8.218 10.533 176 HH11 ARG 25 HH11 ARG 25 23.117 10.776 12.240 177 HH12 ARG 25 HH12 ARG 25 22.903 10.049 13.798 178 HH21 ARG 25 HH21 ARG 25 21.198 7.251 12.578 179 HH22 ARG 25 HH22 ARG 25 21.812 8.044 13.989 180 H LYS 26 H LYS 26 17.803 13.558 8.007 181 HA LYS 26 HA LYS 26 16.261 13.477 6.332 182 HB2 LYS 26 HB2 LYS 26 18.733 13.545 4.592 183 HB3 LYS 26 HB3 LYS 26 17.100 13.944 4.075 184 HG2 LYS 26 HG2 LYS 26 17.914 16.034 4.450 185 HG3 LYS 26 HG3 LYS 26 17.263 15.678 6.052 186 HD2 LYS 26 HD2 LYS 26 19.332 15.447 6.992 187 HD3 LYS 26 HD3 LYS 26 20.071 14.887 5.490 188 HE2 LYS 26 HE2 LYS 26 19.202 17.721 6.050 189 HE3 LYS 26 HE3 LYS 26 20.857 17.126 6.172 190 HZ1 LYS 26 HZ1 LYS 26 20.996 17.788 4.056 191 HZ2 LYS 26 HZ2 LYS 26 19.320 17.821 3.832 192 HZ3 LYS 26 HZ3 LYS 26 20.162 16.361 3.691 193 H VAL 27 H VAL 27 16.871 10.980 7.400 194 HA VAL 27 HA VAL 27 16.142 9.282 5.159 195 HB VAL 27 HB VAL 27 17.808 7.531 5.830 196 HG11 VAL 27 HG11 VAL 27 18.153 8.830 3.826 197 HG12 VAL 27 HG12 VAL 27 18.876 10.141 4.761 198 HG13 VAL 27 HG13 VAL 27 19.699 8.585 4.637 199 HG21 VAL 27 HG21 VAL 27 19.511 9.632 7.049 200 HG22 VAL 27 HG22 VAL 27 18.231 8.937 8.045 201 HG23 VAL 27 HG23 VAL 27 19.470 7.894 7.346 202 H CYS 28 H CYS 28 15.436 7.116 5.878 203 HA CYS 28 HA CYS 28 13.897 7.348 8.315 204 HB2 CYS 28 HB2 CYS 28 14.045 5.164 6.227 205 HB3 CYS 28 HB3 CYS 28 12.947 5.149 7.604 206 H VAL 29 H VAL 29 14.190 6.246 10.185 207 HA VAL 29 HA VAL 29 16.370 4.276 10.307 208 HB VAL 29 HB VAL 29 17.047 5.211 12.513 209 HG11 VAL 29 HG11 VAL 29 18.221 7.209 11.568 210 HG12 VAL 29 HG12 VAL 29 18.398 5.734 10.615 211 HG13 VAL 29 HG13 VAL 29 17.277 6.993 10.094 212 HG21 VAL 29 HG21 VAL 29 14.702 6.585 12.418 213 HG22 VAL 29 HG22 VAL 29 16.051 6.976 13.485 214 HG23 VAL 29 HG23 VAL 29 15.858 7.835 11.956 215 H LYS 30 H LYS 30 16.281 2.897 12.232 216 HA LYS 30 HA LYS 30 13.604 2.006 12.722 217 HB2 LYS 30 HB2 LYS 30 15.688 0.549 12.522 218 HB3 LYS 30 HB3 LYS 30 16.086 1.069 14.154 219 HG2 LYS 30 HG2 LYS 30 14.122 0.050 15.038 220 HG3 LYS 30 HG3 LYS 30 13.501 -0.283 13.420 221 HD2 LYS 30 HD2 LYS 30 16.166 -1.382 14.145 222 HD3 LYS 30 HD3 LYS 30 14.739 -2.136 14.858 223 HE2 LYS 30 HE2 LYS 30 13.931 -1.981 12.307 224 HE3 LYS 30 HE3 LYS 30 15.672 -2.094 12.051 225 HZ1 LYS 30 HZ1 LYS 30 15.611 -4.247 12.503 226 HZ2 LYS 30 HZ2 LYS 30 13.923 -4.167 12.565 227 HZ3 LYS 30 HZ3 LYS 30 14.831 -3.987 13.981 228 H GLY 31 H GLY 31 12.967 4.153 13.668 229 HA2 GLY 31 HA2 GLY 31 11.996 4.936 15.663 230 HA3 GLY 31 HA3 GLY 31 13.122 3.942 16.575 Start of MODEL 3 1 H1 GLY 1 H GLY 1 0.730 1.458 0.323 2 HA2 GLY 1 HA2 GLY 1 2.113 0.108 1.759 3 HA3 GLY 1 HA3 GLY 1 2.103 -0.682 0.189 4 H TYR 2 H TYR 2 3.759 1.051 -1.237 5 HA TYR 2 HA TYR 2 6.330 0.230 -0.191 6 HB2 TYR 2 HB2 TYR 2 5.933 -0.090 -2.553 7 HB3 TYR 2 HB3 TYR 2 5.537 1.612 -2.761 8 HD1 TYR 2 HD1 TYR 2 8.357 -0.468 -1.446 9 HD2 TYR 2 HD2 TYR 2 7.169 2.953 -3.680 10 HE1 TYR 2 HE1 TYR 2 10.715 0.011 -1.956 11 HE2 TYR 2 HE2 TYR 2 9.523 3.440 -4.197 12 HH TYR 2 HH TYR 2 11.781 1.728 -4.285 13 H CYS 3 H CYS 3 6.645 1.548 1.607 14 HA CYS 3 HA CYS 3 6.774 4.440 1.147 15 HB2 CYS 3 HB2 CYS 3 7.278 3.308 3.847 16 HB3 CYS 3 HB3 CYS 3 6.381 4.749 3.379 17 H ALA 4 H ALA 4 8.597 5.278 2.939 18 HA ALA 4 HA ALA 4 11.087 4.435 1.706 19 HB1 ALA 4 HB1 ALA 4 10.258 6.745 3.410 20 HB2 ALA 4 HB2 ALA 4 11.967 6.345 3.237 21 HB3 ALA 4 HB3 ALA 4 11.006 6.739 1.812 22 H THR 5 H THR 5 12.036 2.688 2.538 23 HA THR 5 HA THR 5 11.758 2.006 5.335 24 HB THR 5 HB THR 5 13.405 0.123 4.608 25 HG1 THR 5 HG1 THR 5 13.951 0.141 2.569 26 HG21 THR 5 HG21 THR 5 11.492 -1.009 4.748 27 HG22 THR 5 HG22 THR 5 11.131 -0.570 3.079 28 HG23 THR 5 HG23 THR 5 10.572 0.454 4.401 29 H LYS 6 H LYS 6 13.845 1.207 6.453 30 HA LYS 6 HA LYS 6 15.429 3.331 7.141 31 HB2 LYS 6 HB2 LYS 6 15.305 1.182 8.373 32 HB3 LYS 6 HB3 LYS 6 16.293 0.433 7.126 33 HG2 LYS 6 HG2 LYS 6 18.172 1.783 7.696 34 HG3 LYS 6 HG3 LYS 6 17.197 2.777 8.781 35 HD2 LYS 6 HD2 LYS 6 17.114 1.156 10.411 36 HD3 LYS 6 HD3 LYS 6 17.352 -0.163 9.261 37 HE2 LYS 6 HE2 LYS 6 19.699 0.825 8.929 38 HE3 LYS 6 HE3 LYS 6 19.384 1.722 10.414 39 HZ1 LYS 6 HZ1 LYS 6 20.569 -0.439 10.707 40 HZ2 LYS 6 HZ2 LYS 6 19.156 -1.228 10.218 41 HZ3 LYS 6 HZ3 LYS 6 19.154 -0.284 11.622 42 H GLY 7 H GLY 7 17.206 4.331 6.366 43 HA2 GLY 7 HA2 GLY 7 19.199 4.529 5.129 44 HA3 GLY 7 HA3 GLY 7 18.777 3.063 4.257 45 H ILE 8 H ILE 8 15.994 4.287 3.902 46 HA ILE 8 HA ILE 8 16.615 5.587 1.388 47 HB ILE 8 HB ILE 8 13.885 5.072 2.563 48 HG12 ILE 8 HG12 ILE 8 15.203 2.981 2.417 49 HG13 ILE 8 HG13 ILE 8 13.850 2.995 1.292 50 HG21 ILE 8 HG21 ILE 8 14.882 5.701 -0.203 51 HG22 ILE 8 HG22 ILE 8 13.275 5.049 0.111 52 HG23 ILE 8 HG23 ILE 8 13.736 6.614 0.778 53 HD11 ILE 8 HD11 ILE 8 15.200 2.710 -0.438 54 HD12 ILE 8 HD12 ILE 8 16.235 4.048 0.065 55 HD13 ILE 8 HD13 ILE 8 16.502 2.432 0.718 56 H LYS 9 H LYS 9 16.636 7.708 1.049 57 HA LYS 9 HA LYS 9 16.517 9.615 3.043 58 HB2 LYS 9 HB2 LYS 9 15.971 9.949 0.088 59 HB3 LYS 9 HB3 LYS 9 16.263 11.277 1.204 60 HG2 LYS 9 HG2 LYS 9 18.332 9.227 1.291 61 HG3 LYS 9 HG3 LYS 9 18.161 9.990 -0.292 62 HD2 LYS 9 HD2 LYS 9 18.319 12.205 0.814 63 HD3 LYS 9 HD3 LYS 9 18.617 11.382 2.347 64 HE2 LYS 9 HE2 LYS 9 20.334 10.639 0.048 65 HE3 LYS 9 HE3 LYS 9 20.584 12.233 0.757 66 HZ1 LYS 9 HZ1 LYS 9 20.396 9.971 2.591 67 HZ2 LYS 9 HZ2 LYS 9 21.357 11.359 2.682 68 HZ3 LYS 9 HZ3 LYS 9 21.803 10.088 1.658 69 H CYS 10 H CYS 10 14.970 10.959 3.871 70 HA CYS 10 HA CYS 10 12.196 10.471 3.004 71 HB2 CYS 10 HB2 CYS 10 11.439 10.531 5.255 72 HB3 CYS 10 HB3 CYS 10 12.834 9.458 5.243 73 H ASN 11 H ASN 11 14.179 12.580 2.287 74 HA ASN 11 HA ASN 11 13.672 15.010 3.532 75 HB2 ASN 11 HB2 ASN 11 14.213 14.542 0.591 76 HB3 ASN 11 HB3 ASN 11 14.432 16.062 1.454 77 HD21 ASN 11 HD21 ASN 11 16.471 16.472 1.839 78 HD22 ASN 11 HD22 ASN 11 17.692 15.315 2.238 79 H ASP 12 H ASP 12 11.688 13.153 1.395 80 HA ASP 12 HA ASP 12 9.573 15.157 1.656 81 HB2 ASP 12 HB2 ASP 12 10.883 15.214 -0.627 82 HB3 ASP 12 HB3 ASP 12 9.897 13.802 -0.993 83 H ILE 13 H ILE 13 10.477 11.879 0.678 84 HA ILE 13 HA ILE 13 7.784 10.890 0.852 85 HB ILE 13 HB ILE 13 9.508 9.908 -0.666 86 HG12 ILE 13 HG12 ILE 13 8.633 7.731 1.188 87 HG13 ILE 13 HG13 ILE 13 7.406 8.722 0.406 88 HG21 ILE 13 HG21 ILE 13 11.191 8.426 0.210 89 HG22 ILE 13 HG22 ILE 13 11.376 10.014 0.954 90 HG23 ILE 13 HG23 ILE 13 10.625 8.699 1.858 91 HD11 ILE 13 HD11 ILE 13 8.952 8.093 -1.710 92 HD12 ILE 13 HD12 ILE 13 9.162 6.656 -0.708 93 HD13 ILE 13 HD13 ILE 13 7.544 7.164 -1.194 94 H HIS 14 H HIS 14 6.875 9.636 2.448 95 HA HIS 14 HA HIS 14 8.160 9.825 5.066 96 HB2 HIS 14 HB2 HIS 14 5.336 8.997 4.366 97 HB3 HIS 14 HB3 HIS 14 5.960 9.303 5.985 98 HD1 HIS 14 HD1 HIS 14 4.676 11.013 2.952 99 HD2 HIS 14 HD2 HIS 14 6.359 12.038 6.609 100 HE1 HIS 14 HE1 HIS 14 4.261 13.479 3.215 101 H CYS 15 H CYS 15 8.165 7.999 6.518 102 HA CYS 15 HA CYS 15 8.786 5.528 5.108 103 HB2 CYS 15 HB2 CYS 15 9.011 5.819 8.078 104 HB3 CYS 15 HB3 CYS 15 10.024 4.904 6.966 105 H CYS 16 H CYS 16 7.930 3.484 5.747 106 HA CYS 16 HA CYS 16 5.138 3.455 6.066 107 HB2 CYS 16 HB2 CYS 16 7.298 1.427 5.964 108 HB3 CYS 16 HB3 CYS 16 5.791 0.922 6.723 109 H SER 17 H SER 17 3.859 2.616 7.794 110 HA SER 17 HA SER 17 4.309 3.735 10.269 111 HB2 SER 17 HB2 SER 17 2.638 1.325 9.532 112 HB3 SER 17 HB3 SER 17 2.583 2.103 11.113 113 HG SER 17 HG SER 17 1.060 3.199 10.099 114 H GLY 18 H GLY 18 6.053 3.398 11.495 115 HA2 GLY 18 HA2 GLY 18 6.691 1.632 13.238 116 HA3 GLY 18 HA3 GLY 18 7.016 0.632 11.830 117 H LEU 19 H LEU 19 7.898 3.364 10.577 118 HA LEU 19 HA LEU 19 10.617 3.284 11.710 119 HB2 LEU 19 HB2 LEU 19 9.714 3.779 8.880 120 HB3 LEU 19 HB3 LEU 19 11.364 4.036 9.444 121 HG LEU 19 HG LEU 19 9.954 1.372 9.515 122 HD11 LEU 19 HD11 LEU 19 11.288 0.786 7.565 123 HD12 LEU 19 HD12 LEU 19 11.929 2.428 7.496 124 HD13 LEU 19 HD13 LEU 19 10.213 2.138 7.210 125 HD21 LEU 19 HD21 LEU 19 11.893 1.888 11.097 126 HD22 LEU 19 HD22 LEU 19 12.903 1.916 9.651 127 HD23 LEU 19 HD23 LEU 19 12.027 0.448 10.088 128 H LYS 20 H LYS 20 11.806 5.259 11.754 129 HA LYS 20 HA LYS 20 10.066 7.625 11.920 130 HB2 LYS 20 HB2 LYS 20 12.477 6.737 13.439 131 HB3 LYS 20 HB3 LYS 20 12.199 8.464 13.250 132 HG2 LYS 20 HG2 LYS 20 10.014 6.685 14.247 133 HG3 LYS 20 HG3 LYS 20 11.283 7.249 15.337 134 HD2 LYS 20 HD2 LYS 20 10.047 9.315 13.636 135 HD3 LYS 20 HD3 LYS 20 8.992 8.599 14.857 136 HE2 LYS 20 HE2 LYS 20 11.551 9.156 16.012 137 HE3 LYS 20 HE3 LYS 20 10.948 10.601 15.201 138 HZ1 LYS 20 HZ1 LYS 20 8.780 9.625 16.538 139 HZ2 LYS 20 HZ2 LYS 20 9.745 10.926 17.024 140 HZ3 LYS 20 HZ3 LYS 20 10.054 9.374 17.622 141 H CYS 21 H CYS 21 10.615 9.521 10.904 142 HA CYS 21 HA CYS 21 12.587 9.269 8.768 143 HB2 CYS 21 HB2 CYS 21 10.498 10.061 7.982 144 HB3 CYS 21 HB3 CYS 21 10.348 11.213 9.305 145 H ASP 22 H ASP 22 14.569 9.607 9.677 146 HA ASP 22 HA ASP 22 15.169 11.527 11.639 147 HB2 ASP 22 HB2 ASP 22 16.543 9.476 10.685 148 HB3 ASP 22 HB3 ASP 22 17.244 10.716 9.649 149 H SER 23 H SER 23 14.640 13.608 11.308 150 HA SER 23 HA SER 23 14.838 14.892 8.766 151 HB2 SER 23 HB2 SER 23 13.167 15.619 10.386 152 HB3 SER 23 HB3 SER 23 14.433 16.046 11.537 153 HG SER 23 HG SER 23 14.481 17.912 10.597 154 H LYS 24 H LYS 24 17.091 14.152 11.160 155 HA LYS 24 HA LYS 24 18.825 16.422 10.687 156 HB2 LYS 24 HB2 LYS 24 19.334 13.867 12.223 157 HB3 LYS 24 HB3 LYS 24 20.364 15.292 12.229 158 HG2 LYS 24 HG2 LYS 24 18.117 16.456 13.012 159 HG3 LYS 24 HG3 LYS 24 17.765 14.819 13.571 160 HD2 LYS 24 HD2 LYS 24 19.617 14.793 15.010 161 HD3 LYS 24 HD3 LYS 24 20.370 16.173 14.207 162 HE2 LYS 24 HE2 LYS 24 18.867 17.692 15.165 163 HE3 LYS 24 HE3 LYS 24 17.725 16.422 15.604 164 HZ1 LYS 24 HZ1 LYS 24 20.061 15.785 16.904 165 HZ2 LYS 24 HZ2 LYS 24 18.664 16.439 17.598 166 HZ3 LYS 24 HZ3 LYS 24 19.914 17.460 17.091 167 H ARG 25 H ARG 25 18.747 12.972 9.893 168 HA ARG 25 HA ARG 25 21.081 13.336 8.154 169 HB2 ARG 25 HB2 ARG 25 19.713 10.827 9.138 170 HB3 ARG 25 HB3 ARG 25 21.086 10.846 8.041 171 HG2 ARG 25 HG2 ARG 25 21.807 12.423 10.257 172 HG3 ARG 25 HG3 ARG 25 21.053 10.959 10.891 173 HD2 ARG 25 HD2 ARG 25 22.587 9.795 9.096 174 HD3 ARG 25 HD3 ARG 25 23.527 11.277 9.261 175 HE ARG 25 HE ARG 25 23.299 9.148 11.174 176 HH11 ARG 25 HH11 ARG 25 23.954 12.540 10.742 177 HH12 ARG 25 HH12 ARG 25 24.886 12.678 12.195 178 HH21 ARG 25 HH21 ARG 25 24.524 9.318 13.090 179 HH22 ARG 25 HH22 ARG 25 25.210 10.845 13.530 180 H LYS 26 H LYS 26 17.874 13.673 7.900 181 HA LYS 26 HA LYS 26 16.337 13.569 6.222 182 HB2 LYS 26 HB2 LYS 26 18.692 13.500 4.342 183 HB3 LYS 26 HB3 LYS 26 17.097 14.184 4.055 184 HG2 LYS 26 HG2 LYS 26 19.102 15.244 6.036 185 HG3 LYS 26 HG3 LYS 26 18.820 15.896 4.421 186 HD2 LYS 26 HD2 LYS 26 16.303 15.912 5.365 187 HD3 LYS 26 HD3 LYS 26 17.190 16.123 6.877 188 HE2 LYS 26 HE2 LYS 26 18.419 18.010 5.815 189 HE3 LYS 26 HE3 LYS 26 17.374 17.841 4.405 190 HZ1 LYS 26 HZ1 LYS 26 15.598 18.000 6.418 191 HZ2 LYS 26 HZ2 LYS 26 16.093 19.310 5.470 192 HZ3 LYS 26 HZ3 LYS 26 16.820 19.031 6.972 193 H VAL 27 H VAL 27 16.957 11.085 7.328 194 HA VAL 27 HA VAL 27 16.219 9.356 5.113 195 HB VAL 27 HB VAL 27 17.894 7.617 5.799 196 HG11 VAL 27 HG11 VAL 27 18.951 10.211 4.682 197 HG12 VAL 27 HG12 VAL 27 19.769 8.651 4.568 198 HG13 VAL 27 HG13 VAL 27 18.213 8.893 3.772 199 HG21 VAL 27 HG21 VAL 27 19.505 7.979 7.343 200 HG22 VAL 27 HG22 VAL 27 19.661 9.688 6.938 201 HG23 VAL 27 HG23 VAL 27 18.338 9.144 7.969 202 H CYS 28 H CYS 28 15.479 7.224 5.848 203 HA CYS 28 HA CYS 28 13.980 7.477 8.305 204 HB2 CYS 28 HB2 CYS 28 14.086 5.285 6.224 205 HB3 CYS 28 HB3 CYS 28 13.010 5.277 7.618 206 H VAL 29 H VAL 29 14.201 6.263 10.145 207 HA VAL 29 HA VAL 29 16.475 4.400 10.267 208 HB VAL 29 HB VAL 29 16.977 5.242 12.556 209 HG11 VAL 29 HG11 VAL 29 18.242 5.959 10.541 210 HG12 VAL 29 HG12 VAL 29 17.193 7.375 10.436 211 HG13 VAL 29 HG13 VAL 29 18.241 7.155 11.837 212 HG21 VAL 29 HG21 VAL 29 14.558 6.627 12.204 213 HG22 VAL 29 HG22 VAL 29 15.650 6.697 13.587 214 HG23 VAL 29 HG23 VAL 29 15.826 7.852 12.267 215 H LYS 30 H LYS 30 16.393 2.990 12.223 216 HA LYS 30 HA LYS 30 14.033 1.546 12.351 217 HB2 LYS 30 HB2 LYS 30 16.307 0.768 13.076 218 HB3 LYS 30 HB3 LYS 30 16.102 1.708 14.548 219 HG2 LYS 30 HG2 LYS 30 15.061 0.001 15.488 220 HG3 LYS 30 HG3 LYS 30 13.805 0.083 14.250 221 HD2 LYS 30 HD2 LYS 30 14.686 -1.634 13.052 222 HD3 LYS 30 HD3 LYS 30 16.348 -1.222 13.482 223 HE2 LYS 30 HE2 LYS 30 16.235 -3.021 14.814 224 HE3 LYS 30 HE3 LYS 30 15.317 -1.971 15.893 225 HZ1 LYS 30 HZ1 LYS 30 13.276 -2.778 14.871 226 HZ2 LYS 30 HZ2 LYS 30 14.169 -4.055 15.527 227 HZ3 LYS 30 HZ3 LYS 30 14.164 -3.799 13.855 228 H GLY 31 H GLY 31 12.204 1.639 13.538 229 HA2 GLY 31 HA2 GLY 31 12.078 3.623 15.717 230 HA3 GLY 31 HA3 GLY 31 10.849 3.600 14.461 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.497 -0.557 0.083 2 HA2 GLY 1 HA2 GLY 1 1.965 -0.554 -2.695 3 HA3 GLY 1 HA3 GLY 1 2.027 1.103 -2.111 4 H TYR 2 H TYR 2 3.823 1.819 -1.094 5 HA TYR 2 HA TYR 2 5.697 0.161 0.223 6 HB2 TYR 2 HB2 TYR 2 6.232 -0.590 -2.039 7 HB3 TYR 2 HB3 TYR 2 6.466 1.076 -2.558 8 HD1 TYR 2 HD1 TYR 2 7.672 -0.940 0.357 9 HD2 TYR 2 HD2 TYR 2 8.686 1.531 -2.955 10 HE1 TYR 2 HE1 TYR 2 10.045 -1.085 0.984 11 HE2 TYR 2 HE2 TYR 2 11.063 1.391 -2.338 12 HH TYR 2 HH TYR 2 12.535 -0.258 -1.039 13 H CYS 3 H CYS 3 6.539 1.447 1.711 14 HA CYS 3 HA CYS 3 6.673 4.329 1.190 15 HB2 CYS 3 HB2 CYS 3 7.233 3.247 3.899 16 HB3 CYS 3 HB3 CYS 3 6.334 4.684 3.424 17 H ALA 4 H ALA 4 8.541 5.190 2.924 18 HA ALA 4 HA ALA 4 10.999 4.297 1.656 19 HB1 ALA 4 HB1 ALA 4 10.862 6.621 1.701 20 HB2 ALA 4 HB2 ALA 4 10.268 6.649 3.362 21 HB3 ALA 4 HB3 ALA 4 11.953 6.245 3.035 22 H THR 5 H THR 5 11.958 2.572 2.521 23 HA THR 5 HA THR 5 11.734 1.976 5.342 24 HB THR 5 HB THR 5 13.366 0.068 4.634 25 HG1 THR 5 HG1 THR 5 13.107 -0.377 2.344 26 HG21 THR 5 HG21 THR 5 10.526 0.399 4.484 27 HG22 THR 5 HG22 THR 5 11.454 -1.052 4.865 28 HG23 THR 5 HG23 THR 5 11.056 -0.675 3.189 29 H LYS 6 H LYS 6 13.865 1.169 6.410 30 HA LYS 6 HA LYS 6 15.457 3.302 7.044 31 HB2 LYS 6 HB2 LYS 6 15.448 1.256 8.355 32 HB3 LYS 6 HB3 LYS 6 16.209 0.374 7.037 33 HG2 LYS 6 HG2 LYS 6 17.713 2.723 7.902 34 HG3 LYS 6 HG3 LYS 6 17.512 1.495 9.154 35 HD2 LYS 6 HD2 LYS 6 18.240 0.454 6.504 36 HD3 LYS 6 HD3 LYS 6 19.467 1.469 7.267 37 HE2 LYS 6 HE2 LYS 6 19.725 0.030 9.061 38 HE3 LYS 6 HE3 LYS 6 18.134 -0.696 8.838 39 HZ1 LYS 6 HZ1 LYS 6 20.521 -1.725 7.990 40 HZ2 LYS 6 HZ2 LYS 6 19.823 -1.112 6.577 41 HZ3 LYS 6 HZ3 LYS 6 18.983 -2.243 7.512 42 H GLY 7 H GLY 7 17.160 4.341 6.182 43 HA2 GLY 7 HA2 GLY 7 19.150 4.500 4.903 44 HA3 GLY 7 HA3 GLY 7 18.654 3.075 4.002 45 H ILE 8 H ILE 8 15.894 4.324 3.763 46 HA ILE 8 HA ILE 8 16.454 5.730 1.293 47 HB ILE 8 HB ILE 8 13.752 5.185 2.518 48 HG12 ILE 8 HG12 ILE 8 15.048 3.091 2.266 49 HG13 ILE 8 HG13 ILE 8 13.671 3.156 1.172 50 HG21 ILE 8 HG21 ILE 8 13.087 5.249 0.076 51 HG22 ILE 8 HG22 ILE 8 13.561 6.787 0.796 52 HG23 ILE 8 HG23 ILE 8 14.688 5.916 -0.244 53 HD11 ILE 8 HD11 ILE 8 16.401 2.735 0.563 54 HD12 ILE 8 HD12 ILE 8 15.019 2.770 -0.531 55 HD13 ILE 8 HD13 ILE 8 15.902 4.255 -0.178 56 H LYS 9 H LYS 9 16.364 7.865 0.982 57 HA LYS 9 HA LYS 9 16.407 9.713 3.027 58 HB2 LYS 9 HB2 LYS 9 15.440 10.246 0.214 59 HB3 LYS 9 HB3 LYS 9 16.111 11.423 1.334 60 HG2 LYS 9 HG2 LYS 9 17.994 9.324 1.052 61 HG3 LYS 9 HG3 LYS 9 17.462 9.805 -0.561 62 HD2 LYS 9 HD2 LYS 9 18.280 11.827 1.506 63 HD3 LYS 9 HD3 LYS 9 19.461 11.046 0.451 64 HE2 LYS 9 HE2 LYS 9 17.165 12.050 -1.015 65 HE3 LYS 9 HE3 LYS 9 17.988 13.323 -0.114 66 HZ1 LYS 9 HZ1 LYS 9 20.098 12.356 -1.147 67 HZ2 LYS 9 HZ2 LYS 9 19.083 13.271 -2.143 68 HZ3 LYS 9 HZ3 LYS 9 19.065 11.582 -2.241 69 H CYS 10 H CYS 10 14.931 11.017 4.037 70 HA CYS 10 HA CYS 10 12.091 10.471 3.466 71 HB2 CYS 10 HB2 CYS 10 11.579 10.377 5.740 72 HB3 CYS 10 HB3 CYS 10 13.121 9.531 5.653 73 H ASN 11 H ASN 11 14.179 12.683 2.824 74 HA ASN 11 HA ASN 11 13.398 15.051 4.099 75 HB2 ASN 11 HB2 ASN 11 15.434 14.808 2.696 76 HB3 ASN 11 HB3 ASN 11 14.411 14.739 1.264 77 HD21 ASN 11 HD21 ASN 11 15.712 16.578 0.600 78 HD22 ASN 11 HD22 ASN 11 15.261 18.159 1.132 79 H ASP 12 H ASP 12 11.794 13.132 1.760 80 HA ASP 12 HA ASP 12 9.664 15.140 1.589 81 HB2 ASP 12 HB2 ASP 12 11.121 15.173 -0.488 82 HB3 ASP 12 HB3 ASP 12 10.550 13.539 -0.812 83 H ILE 13 H ILE 13 10.512 11.806 0.648 84 HA ILE 13 HA ILE 13 7.805 10.899 0.850 85 HB ILE 13 HB ILE 13 9.493 9.858 -0.660 86 HG12 ILE 13 HG12 ILE 13 8.393 7.864 1.323 87 HG13 ILE 13 HG13 ILE 13 7.380 8.717 0.164 88 HG21 ILE 13 HG21 ILE 13 11.355 9.934 0.998 89 HG22 ILE 13 HG22 ILE 13 10.586 8.594 1.847 90 HG23 ILE 13 HG23 ILE 13 11.165 8.375 0.196 91 HD11 ILE 13 HD11 ILE 13 9.551 6.723 -0.381 92 HD12 ILE 13 HD12 ILE 13 7.838 6.625 -0.790 93 HD13 ILE 13 HD13 ILE 13 8.883 7.768 -1.634 94 H HIS 14 H HIS 14 6.868 9.607 2.420 95 HA HIS 14 HA HIS 14 8.106 9.801 5.060 96 HB2 HIS 14 HB2 HIS 14 5.309 8.870 4.407 97 HB3 HIS 14 HB3 HIS 14 5.927 9.400 5.968 98 HD1 HIS 14 HD1 HIS 14 7.238 12.047 5.179 99 HD2 HIS 14 HD2 HIS 14 3.510 10.818 3.818 100 HE1 HIS 14 HE1 HIS 14 6.033 14.155 4.525 101 H CYS 15 H CYS 15 8.164 7.988 6.496 102 HA CYS 15 HA CYS 15 8.754 5.506 5.093 103 HB2 CYS 15 HB2 CYS 15 9.046 5.815 8.054 104 HB3 CYS 15 HB3 CYS 15 10.037 4.899 6.923 105 H CYS 16 H CYS 16 7.926 3.462 5.798 106 HA CYS 16 HA CYS 16 5.137 3.435 6.166 107 HB2 CYS 16 HB2 CYS 16 7.298 1.410 6.047 108 HB3 CYS 16 HB3 CYS 16 5.811 0.913 6.848 109 H SER 17 H SER 17 3.896 2.612 7.931 110 HA SER 17 HA SER 17 4.392 3.770 10.381 111 HB2 SER 17 HB2 SER 17 2.645 1.475 9.541 112 HB3 SER 17 HB3 SER 17 2.754 1.930 11.242 113 HG SER 17 HG SER 17 1.256 3.307 10.685 114 H GLY 18 H GLY 18 6.098 3.450 11.652 115 HA2 GLY 18 HA2 GLY 18 6.785 1.699 13.376 116 HA3 GLY 18 HA3 GLY 18 7.114 0.699 11.968 117 H LEU 19 H LEU 19 7.985 3.353 10.632 118 HA LEU 19 HA LEU 19 10.706 3.324 11.759 119 HB2 LEU 19 HB2 LEU 19 9.755 3.859 8.952 120 HB3 LEU 19 HB3 LEU 19 11.414 4.104 9.494 121 HG LEU 19 HG LEU 19 10.003 1.440 9.553 122 HD11 LEU 19 HD11 LEU 19 11.273 0.881 7.559 123 HD12 LEU 19 HD12 LEU 19 11.936 2.513 7.503 124 HD13 LEU 19 HD13 LEU 19 10.210 2.254 7.252 125 HD21 LEU 19 HD21 LEU 19 12.958 1.901 9.569 126 HD22 LEU 19 HD22 LEU 19 12.038 0.509 10.141 127 HD23 LEU 19 HD23 LEU 19 12.031 2.013 11.065 128 H LYS 20 H LYS 20 11.898 5.318 11.744 129 HA LYS 20 HA LYS 20 10.141 7.660 12.028 130 HB2 LYS 20 HB2 LYS 20 12.778 6.949 13.302 131 HB3 LYS 20 HB3 LYS 20 12.125 8.581 13.353 132 HG2 LYS 20 HG2 LYS 20 10.010 7.046 14.202 133 HG3 LYS 20 HG3 LYS 20 11.409 6.232 14.907 134 HD2 LYS 20 HD2 LYS 20 12.119 8.248 15.986 135 HD3 LYS 20 HD3 LYS 20 10.899 9.196 15.132 136 HE2 LYS 20 HE2 LYS 20 9.604 7.053 16.490 137 HE3 LYS 20 HE3 LYS 20 10.678 7.867 17.627 138 HZ1 LYS 20 HZ1 LYS 20 8.742 9.317 15.915 139 HZ2 LYS 20 HZ2 LYS 20 9.607 9.920 17.237 140 HZ3 LYS 20 HZ3 LYS 20 8.373 8.788 17.478 141 H CYS 21 H CYS 21 10.758 9.659 11.155 142 HA CYS 21 HA CYS 21 12.506 9.430 8.825 143 HB2 CYS 21 HB2 CYS 21 10.370 10.343 8.300 144 HB3 CYS 21 HB3 CYS 21 10.441 11.467 9.653 145 H ASP 22 H ASP 22 14.560 9.586 9.671 146 HA ASP 22 HA ASP 22 15.412 11.389 11.631 147 HB2 ASP 22 HB2 ASP 22 16.616 9.336 10.548 148 HB3 ASP 22 HB3 ASP 22 17.237 10.531 9.412 149 H SER 23 H SER 23 14.913 13.501 11.426 150 HA SER 23 HA SER 23 15.027 14.899 8.936 151 HB2 SER 23 HB2 SER 23 14.811 15.970 11.761 152 HB3 SER 23 HB3 SER 23 14.536 16.901 10.289 153 HG SER 23 HG SER 23 12.870 15.200 11.595 154 H LYS 24 H LYS 24 17.358 13.985 11.193 155 HA LYS 24 HA LYS 24 19.138 16.225 10.737 156 HB2 LYS 24 HB2 LYS 24 19.781 13.607 12.095 157 HB3 LYS 24 HB3 LYS 24 20.645 15.132 12.247 158 HG2 LYS 24 HG2 LYS 24 17.964 15.614 12.991 159 HG3 LYS 24 HG3 LYS 24 18.482 14.135 13.803 160 HD2 LYS 24 HD2 LYS 24 20.329 15.241 14.815 161 HD3 LYS 24 HD3 LYS 24 20.103 16.675 13.811 162 HE2 LYS 24 HE2 LYS 24 18.695 17.542 15.295 163 HE3 LYS 24 HE3 LYS 24 17.682 16.101 15.230 164 HZ1 LYS 24 HZ1 LYS 24 20.124 16.336 16.900 165 HZ2 LYS 24 HZ2 LYS 24 18.992 15.080 16.923 166 HZ3 LYS 24 HZ3 LYS 24 18.558 16.620 17.471 167 H ARG 25 H ARG 25 18.933 12.806 9.833 168 HA ARG 25 HA ARG 25 21.202 13.170 8.010 169 HB2 ARG 25 HB2 ARG 25 19.796 10.633 8.867 170 HB3 ARG 25 HB3 ARG 25 21.225 10.721 7.846 171 HG2 ARG 25 HG2 ARG 25 21.525 12.104 10.399 172 HG3 ARG 25 HG3 ARG 25 21.225 10.371 10.552 173 HD2 ARG 25 HD2 ARG 25 23.267 9.855 9.810 174 HD3 ARG 25 HD3 ARG 25 23.149 10.988 8.464 175 HE ARG 25 HE ARG 25 23.579 12.367 10.902 176 HH11 ARG 25 HH11 ARG 25 25.201 10.413 8.520 177 HH12 ARG 25 HH12 ARG 25 26.760 11.105 8.825 178 HH21 ARG 25 HH21 ARG 25 25.626 13.285 11.312 179 HH22 ARG 25 HH22 ARG 25 27.001 12.737 10.414 180 H LYS 26 H LYS 26 17.997 13.598 7.902 181 HA LYS 26 HA LYS 26 16.386 13.580 6.290 182 HB2 LYS 26 HB2 LYS 26 18.850 13.732 4.546 183 HB3 LYS 26 HB3 LYS 26 17.211 13.998 3.966 184 HG2 LYS 26 HG2 LYS 26 16.996 16.004 5.085 185 HG3 LYS 26 HG3 LYS 26 18.260 15.607 6.252 186 HD2 LYS 26 HD2 LYS 26 19.452 15.577 3.690 187 HD3 LYS 26 HD3 LYS 26 18.471 17.041 3.789 188 HE2 LYS 26 HE2 LYS 26 20.387 16.228 5.959 189 HE3 LYS 26 HE3 LYS 26 20.881 17.212 4.582 190 HZ1 LYS 26 HZ1 LYS 26 18.718 17.915 6.491 191 HZ2 LYS 26 HZ2 LYS 26 19.259 18.869 5.204 192 HZ3 LYS 26 HZ3 LYS 26 20.283 18.557 6.514 193 H VAL 27 H VAL 27 16.917 11.057 7.263 194 HA VAL 27 HA VAL 27 16.137 9.433 4.982 195 HB VAL 27 HB VAL 27 17.747 7.613 5.641 196 HG11 VAL 27 HG11 VAL 27 19.660 8.619 4.437 197 HG12 VAL 27 HG12 VAL 27 18.114 8.908 3.637 198 HG13 VAL 27 HG13 VAL 27 18.879 10.195 4.569 199 HG21 VAL 27 HG21 VAL 27 19.396 7.907 7.169 200 HG22 VAL 27 HG22 VAL 27 19.554 9.631 6.833 201 HG23 VAL 27 HG23 VAL 27 18.234 9.047 7.846 202 H CYS 28 H CYS 28 15.419 7.239 5.674 203 HA CYS 28 HA CYS 28 13.854 7.476 8.100 204 HB2 CYS 28 HB2 CYS 28 13.962 5.339 5.963 205 HB3 CYS 28 HB3 CYS 28 12.871 5.299 7.344 206 H VAL 29 H VAL 29 14.052 6.256 9.928 207 HA VAL 29 HA VAL 29 16.191 4.250 10.033 208 HB VAL 29 HB VAL 29 16.848 5.147 12.293 209 HG11 VAL 29 HG11 VAL 29 18.272 6.931 11.374 210 HG12 VAL 29 HG12 VAL 29 18.250 5.498 10.344 211 HG13 VAL 29 HG13 VAL 29 17.309 6.921 9.897 212 HG21 VAL 29 HG21 VAL 29 16.127 7.180 13.083 213 HG22 VAL 29 HG22 VAL 29 15.693 7.774 11.480 214 HG23 VAL 29 HG23 VAL 29 14.661 6.598 12.293 215 H LYS 30 H LYS 30 16.129 3.246 12.389 216 HA LYS 30 HA LYS 30 13.508 2.097 12.650 217 HB2 LYS 30 HB2 LYS 30 15.840 0.976 12.981 218 HB3 LYS 30 HB3 LYS 30 15.736 1.639 14.606 219 HG2 LYS 30 HG2 LYS 30 13.343 0.471 14.487 220 HG3 LYS 30 HG3 LYS 30 14.214 -0.561 13.350 221 HD2 LYS 30 HD2 LYS 30 14.567 -1.634 15.374 222 HD3 LYS 30 HD3 LYS 30 16.024 -0.650 15.207 223 HE2 LYS 30 HE2 LYS 30 15.457 0.718 16.921 224 HE3 LYS 30 HE3 LYS 30 13.732 0.618 16.573 225 HZ1 LYS 30 HZ1 LYS 30 15.238 -0.818 18.481 226 HZ2 LYS 30 HZ2 LYS 30 14.525 -1.905 17.399 227 HZ3 LYS 30 HZ3 LYS 30 13.562 -0.802 18.245 228 H GLY 31 H GLY 31 12.127 2.204 14.433 229 HA2 GLY 31 HA2 GLY 31 12.582 4.555 16.161 230 HA3 GLY 31 HA3 GLY 31 10.998 3.974 15.668 Start of MODEL 5 1 H1 GLY 1 H GLY 1 1.633 3.002 0.067 2 HA2 GLY 1 HA2 GLY 1 1.932 0.121 -0.487 3 HA3 GLY 1 HA3 GLY 1 1.503 1.239 -1.773 4 H TYR 2 H TYR 2 4.033 -0.184 -0.006 5 HA TYR 2 HA TYR 2 6.300 -0.050 -0.129 6 HB2 TYR 2 HB2 TYR 2 5.931 -0.418 -2.509 7 HB3 TYR 2 HB3 TYR 2 5.662 1.303 -2.759 8 HD1 TYR 2 HD1 TYR 2 7.426 2.576 -3.534 9 HD2 TYR 2 HD2 TYR 2 8.267 -1.006 -1.397 10 HE1 TYR 2 HE1 TYR 2 9.828 2.892 -3.961 11 HE2 TYR 2 HE2 TYR 2 10.671 -0.699 -1.817 12 HH TYR 2 HH TYR 2 12.224 0.534 -2.811 13 H CYS 3 H CYS 3 6.666 1.296 1.612 14 HA CYS 3 HA CYS 3 6.780 4.181 1.108 15 HB2 CYS 3 HB2 CYS 3 7.313 3.090 3.819 16 HB3 CYS 3 HB3 CYS 3 6.408 4.522 3.339 17 H ALA 4 H ALA 4 8.616 5.059 2.861 18 HA ALA 4 HA ALA 4 11.099 4.188 1.627 19 HB1 ALA 4 HB1 ALA 4 10.320 6.535 3.320 20 HB2 ALA 4 HB2 ALA 4 12.015 6.147 3.021 21 HB3 ALA 4 HB3 ALA 4 10.942 6.511 1.669 22 H THR 5 H THR 5 12.069 2.478 2.506 23 HA THR 5 HA THR 5 11.809 1.876 5.324 24 HB THR 5 HB THR 5 13.474 -0.010 4.641 25 HG1 THR 5 HG1 THR 5 13.934 1.043 2.574 26 HG21 THR 5 HG21 THR 5 11.196 -0.776 3.154 27 HG22 THR 5 HG22 THR 5 10.636 0.284 4.449 28 HG23 THR 5 HG23 THR 5 11.576 -1.158 4.833 29 H LYS 6 H LYS 6 13.932 1.098 6.426 30 HA LYS 6 HA LYS 6 15.486 3.250 7.085 31 HB2 LYS 6 HB2 LYS 6 15.466 1.177 8.377 32 HB3 LYS 6 HB3 LYS 6 16.309 0.340 7.080 33 HG2 LYS 6 HG2 LYS 6 17.604 2.753 8.208 34 HG3 LYS 6 HG3 LYS 6 17.561 1.301 9.212 35 HD2 LYS 6 HD2 LYS 6 18.376 0.936 6.392 36 HD3 LYS 6 HD3 LYS 6 19.507 1.804 7.434 37 HE2 LYS 6 HE2 LYS 6 20.221 -0.311 7.848 38 HE3 LYS 6 HE3 LYS 6 18.944 -0.225 9.061 39 HZ1 LYS 6 HZ1 LYS 6 17.695 -1.055 6.764 40 HZ2 LYS 6 HZ2 LYS 6 18.090 -2.015 8.099 41 HZ3 LYS 6 HZ3 LYS 6 19.150 -1.919 6.784 42 H GLY 7 H GLY 7 17.186 4.313 6.248 43 HA2 GLY 7 HA2 GLY 7 19.195 4.498 5.002 44 HA3 GLY 7 HA3 GLY 7 18.733 3.067 4.093 45 H ILE 8 H ILE 8 15.961 4.279 3.810 46 HA ILE 8 HA ILE 8 16.541 5.692 1.349 47 HB ILE 8 HB ILE 8 13.827 5.110 2.530 48 HG12 ILE 8 HG12 ILE 8 15.156 3.035 2.299 49 HG13 ILE 8 HG13 ILE 8 13.795 3.081 1.182 50 HG21 ILE 8 HG21 ILE 8 14.829 6.007 -0.138 51 HG22 ILE 8 HG22 ILE 8 13.327 5.092 -0.021 52 HG23 ILE 8 HG23 ILE 8 13.489 6.631 0.825 53 HD11 ILE 8 HD11 ILE 8 16.037 4.210 -0.128 54 HD12 ILE 8 HD12 ILE 8 16.537 2.690 0.616 55 HD13 ILE 8 HD13 ILE 8 15.173 2.719 -0.501 56 H LYS 9 H LYS 9 16.433 7.826 1.039 57 HA LYS 9 HA LYS 9 16.414 9.673 3.085 58 HB2 LYS 9 HB2 LYS 9 15.515 10.169 0.242 59 HB3 LYS 9 HB3 LYS 9 16.093 11.382 1.376 60 HG2 LYS 9 HG2 LYS 9 17.980 9.202 1.002 61 HG3 LYS 9 HG3 LYS 9 17.607 10.059 -0.495 62 HD2 LYS 9 HD2 LYS 9 18.189 12.176 0.547 63 HD3 LYS 9 HD3 LYS 9 18.491 11.359 2.082 64 HE2 LYS 9 HE2 LYS 9 20.070 9.956 0.330 65 HE3 LYS 9 HE3 LYS 9 20.184 11.603 -0.287 66 HZ1 LYS 9 HZ1 LYS 9 20.442 11.385 2.579 67 HZ2 LYS 9 HZ2 LYS 9 21.373 12.260 1.472 68 HZ3 LYS 9 HZ3 LYS 9 21.676 10.614 1.716 69 H CYS 10 H CYS 10 14.903 10.961 4.066 70 HA CYS 10 HA CYS 10 12.082 10.377 3.444 71 HB2 CYS 10 HB2 CYS 10 11.530 10.280 5.709 72 HB3 CYS 10 HB3 CYS 10 13.083 9.453 5.651 73 H ASN 11 H ASN 11 14.150 12.615 2.834 74 HA ASN 11 HA ASN 11 13.315 14.974 4.090 75 HB2 ASN 11 HB2 ASN 11 15.379 14.775 2.737 76 HB3 ASN 11 HB3 ASN 11 14.395 14.654 1.281 77 HD21 ASN 11 HD21 ASN 11 13.452 16.467 0.437 78 HD22 ASN 11 HD22 ASN 11 13.806 18.064 0.996 79 H ASP 12 H ASP 12 11.775 13.028 1.734 80 HA ASP 12 HA ASP 12 9.623 15.008 1.519 81 HB2 ASP 12 HB2 ASP 12 11.153 13.764 -0.723 82 HB3 ASP 12 HB3 ASP 12 9.427 14.040 -0.941 83 H ILE 13 H ILE 13 10.532 11.684 0.599 84 HA ILE 13 HA ILE 13 7.835 10.740 0.756 85 HB ILE 13 HB ILE 13 9.559 9.718 -0.724 86 HG12 ILE 13 HG12 ILE 13 8.730 7.497 1.062 87 HG13 ILE 13 HG13 ILE 13 7.448 8.547 0.467 88 HG21 ILE 13 HG21 ILE 13 10.635 8.479 1.802 89 HG22 ILE 13 HG22 ILE 13 11.241 8.264 0.161 90 HG23 ILE 13 HG23 ILE 13 11.396 9.829 0.960 91 HD11 ILE 13 HD11 ILE 13 9.424 7.038 -1.228 92 HD12 ILE 13 HD12 ILE 13 7.733 6.610 -0.962 93 HD13 ILE 13 HD13 ILE 13 8.142 8.092 -1.826 94 H HIS 14 H HIS 14 6.888 9.437 2.311 95 HA HIS 14 HA HIS 14 8.077 9.653 4.972 96 HB2 HIS 14 HB2 HIS 14 5.843 9.052 5.800 97 HB3 HIS 14 HB3 HIS 14 5.771 10.432 4.708 98 HD1 HIS 14 HD1 HIS 14 5.015 6.731 4.789 99 HD2 HIS 14 HD2 HIS 14 4.149 10.102 2.521 100 HE1 HIS 14 HE1 HIS 14 3.243 6.007 3.158 101 H CYS 15 H CYS 15 8.139 7.844 6.411 102 HA CYS 15 HA CYS 15 8.785 5.368 5.023 103 HB2 CYS 15 HB2 CYS 15 9.026 5.687 7.988 104 HB3 CYS 15 HB3 CYS 15 10.047 4.782 6.875 105 H CYS 16 H CYS 16 7.979 3.312 5.731 106 HA CYS 16 HA CYS 16 5.183 3.251 6.057 107 HB2 CYS 16 HB2 CYS 16 7.370 1.254 5.955 108 HB3 CYS 16 HB3 CYS 16 5.881 0.735 6.739 109 H SER 17 H SER 17 3.936 2.391 7.807 110 HA SER 17 HA SER 17 4.381 3.554 10.264 111 HB2 SER 17 HB2 SER 17 2.882 0.956 10.073 112 HB3 SER 17 HB3 SER 17 2.512 2.382 11.043 113 HG SER 17 HG SER 17 1.559 1.765 8.670 114 H GLY 18 H GLY 18 6.055 3.262 11.580 115 HA2 GLY 18 HA2 GLY 18 6.766 1.524 13.298 116 HA3 GLY 18 HA3 GLY 18 7.129 0.531 11.895 117 H LEU 19 H LEU 19 7.968 3.197 10.566 118 HA LEU 19 HA LEU 19 10.675 3.219 11.725 119 HB2 LEU 19 HB2 LEU 19 9.753 3.741 8.906 120 HB3 LEU 19 HB3 LEU 19 11.402 4.001 9.470 121 HG LEU 19 HG LEU 19 10.015 1.323 9.506 122 HD11 LEU 19 HD11 LEU 19 10.249 2.140 7.210 123 HD12 LEU 19 HD12 LEU 19 11.322 0.779 7.531 124 HD13 LEU 19 HD13 LEU 19 11.969 2.419 7.487 125 HD21 LEU 19 HD21 LEU 19 12.013 1.911 11.050 126 HD22 LEU 19 HD22 LEU 19 12.965 1.816 9.568 127 HD23 LEU 19 HD23 LEU 19 12.051 0.412 10.122 128 H LYS 20 H LYS 20 11.831 5.234 11.722 129 HA LYS 20 HA LYS 20 10.029 7.546 11.974 130 HB2 LYS 20 HB2 LYS 20 12.500 6.701 13.411 131 HB3 LYS 20 HB3 LYS 20 12.205 8.425 13.227 132 HG2 LYS 20 HG2 LYS 20 9.785 7.594 14.102 133 HG3 LYS 20 HG3 LYS 20 10.848 6.442 14.913 134 HD2 LYS 20 HD2 LYS 20 12.003 8.134 16.050 135 HD3 LYS 20 HD3 LYS 20 11.404 9.392 14.966 136 HE2 LYS 20 HE2 LYS 20 9.098 8.308 16.016 137 HE3 LYS 20 HE3 LYS 20 10.215 8.277 17.380 138 HZ1 LYS 20 HZ1 LYS 20 10.087 10.471 17.597 139 HZ2 LYS 20 HZ2 LYS 20 8.769 10.428 16.539 140 HZ3 LYS 20 HZ3 LYS 20 10.320 10.747 15.944 141 H CYS 21 H CYS 21 10.632 9.556 11.114 142 HA CYS 21 HA CYS 21 12.418 9.352 8.811 143 HB2 CYS 21 HB2 CYS 21 10.275 10.236 8.256 144 HB3 CYS 21 HB3 CYS 21 10.315 11.363 9.608 145 H ASP 22 H ASP 22 14.455 9.531 9.699 146 HA ASP 22 HA ASP 22 15.252 11.349 11.668 147 HB2 ASP 22 HB2 ASP 22 16.489 9.305 10.532 148 HB3 ASP 22 HB3 ASP 22 17.164 10.570 9.508 149 H SER 23 H SER 23 14.734 13.454 11.455 150 HA SER 23 HA SER 23 14.868 14.851 8.964 151 HB2 SER 23 HB2 SER 23 13.325 15.385 10.925 152 HB3 SER 23 HB3 SER 23 14.728 16.117 11.703 153 HG SER 23 HG SER 23 13.138 17.110 9.756 154 H LYS 24 H LYS 24 17.174 13.969 11.260 155 HA LYS 24 HA LYS 24 18.932 16.232 10.830 156 HB2 LYS 24 HB2 LYS 24 19.257 13.643 12.350 157 HB3 LYS 24 HB3 LYS 24 20.531 14.847 12.215 158 HG2 LYS 24 HG2 LYS 24 17.827 15.583 13.265 159 HG3 LYS 24 HG3 LYS 24 19.045 14.848 14.309 160 HD2 LYS 24 HD2 LYS 24 20.277 16.939 12.822 161 HD3 LYS 24 HD3 LYS 24 18.789 17.565 13.534 162 HE2 LYS 24 HE2 LYS 24 19.567 17.378 15.650 163 HE3 LYS 24 HE3 LYS 24 20.471 15.905 15.300 164 HZ1 LYS 24 HZ1 LYS 24 21.316 18.679 15.148 165 HZ2 LYS 24 HZ2 LYS 24 21.862 17.681 13.895 166 HZ3 LYS 24 HZ3 LYS 24 22.215 17.290 15.503 167 H ARG 25 H ARG 25 18.784 12.810 9.927 168 HA ARG 25 HA ARG 25 21.078 13.200 8.141 169 HB2 ARG 25 HB2 ARG 25 19.698 10.678 9.076 170 HB3 ARG 25 HB3 ARG 25 21.046 10.715 7.947 171 HG2 ARG 25 HG2 ARG 25 22.306 11.962 9.801 172 HG3 ARG 25 HG3 ARG 25 21.021 11.386 10.864 173 HD2 ARG 25 HD2 ARG 25 22.444 9.638 11.105 174 HD3 ARG 25 HD3 ARG 25 21.615 9.087 9.650 175 HE ARG 25 HE ARG 25 23.919 10.692 9.085 176 HH11 ARG 25 HH11 ARG 25 22.818 7.482 9.863 177 HH12 ARG 25 HH12 ARG 25 24.179 6.697 9.134 178 HH21 ARG 25 HH21 ARG 25 25.716 9.670 8.121 179 HH22 ARG 25 HH22 ARG 25 25.828 7.943 8.144 180 H LYS 26 H LYS 26 17.869 13.584 7.981 181 HA LYS 26 HA LYS 26 16.285 13.544 6.343 182 HB2 LYS 26 HB2 LYS 26 18.761 13.706 4.616 183 HB3 LYS 26 HB3 LYS 26 17.123 13.996 4.045 184 HG2 LYS 26 HG2 LYS 26 16.954 15.841 5.725 185 HG3 LYS 26 HG3 LYS 26 18.674 15.613 6.051 186 HD2 LYS 26 HD2 LYS 26 17.857 15.943 3.219 187 HD3 LYS 26 HD3 LYS 26 17.772 17.368 4.257 188 HE2 LYS 26 HE2 LYS 26 19.930 17.587 3.609 189 HE3 LYS 26 HE3 LYS 26 20.196 16.474 4.950 190 HZ1 LYS 26 HZ1 LYS 26 21.361 15.763 2.956 191 HZ2 LYS 26 HZ2 LYS 26 19.906 15.700 2.097 192 HZ3 LYS 26 HZ3 LYS 26 20.173 14.636 3.385 193 H VAL 27 H VAL 27 16.832 11.029 7.327 194 HA VAL 27 HA VAL 27 16.112 9.393 5.037 195 HB VAL 27 HB VAL 27 17.734 7.596 5.719 196 HG11 VAL 27 HG11 VAL 27 19.656 8.630 4.554 197 HG12 VAL 27 HG12 VAL 27 18.122 8.900 3.726 198 HG13 VAL 27 HG13 VAL 27 18.853 10.195 4.675 199 HG21 VAL 27 HG21 VAL 27 19.490 9.633 6.950 200 HG22 VAL 27 HG22 VAL 27 18.161 9.027 7.938 201 HG23 VAL 27 HG23 VAL 27 19.352 7.906 7.279 202 H CYS 28 H CYS 28 15.418 7.186 5.723 203 HA CYS 28 HA CYS 28 13.809 7.406 8.121 204 HB2 CYS 28 HB2 CYS 28 13.980 5.265 5.992 205 HB3 CYS 28 HB3 CYS 28 12.864 5.219 7.353 206 H VAL 29 H VAL 29 14.017 6.222 9.964 207 HA VAL 29 HA VAL 29 16.186 4.245 10.103 208 HB VAL 29 HB VAL 29 16.834 5.130 12.333 209 HG11 VAL 29 HG11 VAL 29 18.141 5.687 10.355 210 HG12 VAL 29 HG12 VAL 29 17.103 7.080 10.047 211 HG13 VAL 29 HG13 VAL 29 18.118 7.037 11.489 212 HG21 VAL 29 HG21 VAL 29 15.874 6.920 13.316 213 HG22 VAL 29 HG22 VAL 29 15.619 7.759 11.785 214 HG23 VAL 29 HG23 VAL 29 14.505 6.489 12.290 215 H LYS 30 H LYS 30 16.085 3.034 12.252 216 HA LYS 30 HA LYS 30 13.404 2.026 12.558 217 HB2 LYS 30 HB2 LYS 30 15.368 0.525 12.525 218 HB3 LYS 30 HB3 LYS 30 15.941 1.262 14.016 219 HG2 LYS 30 HG2 LYS 30 14.306 0.267 15.296 220 HG3 LYS 30 HG3 LYS 30 13.218 0.047 13.924 221 HD2 LYS 30 HD2 LYS 30 14.021 -2.107 14.433 222 HD3 LYS 30 HD3 LYS 30 14.943 -1.591 13.019 223 HE2 LYS 30 HE2 LYS 30 16.487 -2.578 14.529 224 HE3 LYS 30 HE3 LYS 30 16.745 -0.835 14.598 225 HZ1 LYS 30 HZ1 LYS 30 15.064 -1.012 16.563 226 HZ2 LYS 30 HZ2 LYS 30 16.700 -1.364 16.806 227 HZ3 LYS 30 HZ3 LYS 30 15.584 -2.621 16.615 228 H GLY 31 H GLY 31 12.024 3.225 13.721 229 HA2 GLY 31 HA2 GLY 31 11.137 4.432 15.463 230 HA3 GLY 31 HA3 GLY 31 12.144 3.412 16.479 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.678 0.707 -2.441 2 HA2 GLY 1 HA2 GLY 1 1.513 2.199 -0.070 3 HA3 GLY 1 HA3 GLY 1 2.042 0.575 0.344 4 H TYR 2 H TYR 2 4.131 0.021 0.045 5 HA TYR 2 HA TYR 2 6.365 0.276 -0.300 6 HB2 TYR 2 HB2 TYR 2 5.819 0.056 -2.638 7 HB3 TYR 2 HB3 TYR 2 5.336 1.746 -2.733 8 HD1 TYR 2 HD1 TYR 2 6.863 3.314 -3.499 9 HD2 TYR 2 HD2 TYR 2 8.304 -0.372 -1.936 10 HE1 TYR 2 HE1 TYR 2 9.149 3.934 -4.161 11 HE2 TYR 2 HE2 TYR 2 10.594 0.238 -2.593 12 HH TYR 2 HH TYR 2 11.259 3.015 -4.573 13 H CYS 3 H CYS 3 6.647 1.537 1.583 14 HA CYS 3 HA CYS 3 6.762 4.442 1.206 15 HB2 CYS 3 HB2 CYS 3 7.300 3.232 3.865 16 HB3 CYS 3 HB3 CYS 3 6.396 4.685 3.451 17 H ALA 4 H ALA 4 8.603 5.214 3.027 18 HA ALA 4 HA ALA 4 11.083 4.418 1.734 19 HB1 ALA 4 HB1 ALA 4 10.932 6.733 1.908 20 HB2 ALA 4 HB2 ALA 4 10.307 6.666 3.556 21 HB3 ALA 4 HB3 ALA 4 12.001 6.292 3.240 22 H THR 5 H THR 5 12.036 2.648 2.512 23 HA THR 5 HA THR 5 11.792 1.900 5.295 24 HB THR 5 HB THR 5 13.427 0.033 4.503 25 HG1 THR 5 HG1 THR 5 13.219 -0.287 2.195 26 HG21 THR 5 HG21 THR 5 11.136 -0.627 2.987 27 HG22 THR 5 HG22 THR 5 10.591 0.373 4.334 28 HG23 THR 5 HG23 THR 5 11.513 -1.097 4.644 29 H LYS 6 H LYS 6 13.900 1.062 6.357 30 HA LYS 6 HA LYS 6 15.491 3.165 7.089 31 HB2 LYS 6 HB2 LYS 6 15.434 1.048 8.308 32 HB3 LYS 6 HB3 LYS 6 16.265 0.243 6.983 33 HG2 LYS 6 HG2 LYS 6 18.286 1.281 7.449 34 HG3 LYS 6 HG3 LYS 6 17.519 2.578 8.370 35 HD2 LYS 6 HD2 LYS 6 16.769 0.511 9.878 36 HD3 LYS 6 HD3 LYS 6 18.246 -0.177 9.198 37 HE2 LYS 6 HE2 LYS 6 18.218 2.565 10.413 38 HE3 LYS 6 HE3 LYS 6 18.400 1.126 11.415 39 HZ1 LYS 6 HZ1 LYS 6 20.221 0.644 9.548 40 HZ2 LYS 6 HZ2 LYS 6 20.566 1.477 10.979 41 HZ3 LYS 6 HZ3 LYS 6 20.272 2.336 9.551 42 H GLY 7 H GLY 7 17.222 4.216 6.297 43 HA2 GLY 7 HA2 GLY 7 19.196 4.473 5.038 44 HA3 GLY 7 HA3 GLY 7 18.788 3.017 4.143 45 H ILE 8 H ILE 8 15.978 4.209 3.858 46 HA ILE 8 HA ILE 8 16.538 5.553 1.353 47 HB ILE 8 HB ILE 8 13.838 4.992 2.577 48 HG12 ILE 8 HG12 ILE 8 15.170 2.917 2.362 49 HG13 ILE 8 HG13 ILE 8 13.796 2.941 1.262 50 HG21 ILE 8 HG21 ILE 8 13.312 4.926 0.026 51 HG22 ILE 8 HG22 ILE 8 13.458 6.475 0.854 52 HG23 ILE 8 HG23 ILE 8 14.800 5.863 -0.112 53 HD11 ILE 8 HD11 ILE 8 15.145 2.583 -0.446 54 HD12 ILE 8 HD12 ILE 8 16.043 4.055 -0.073 55 HD13 ILE 8 HD13 ILE 8 16.515 2.523 0.662 56 H LYS 9 H LYS 9 16.568 7.679 1.064 57 HA LYS 9 HA LYS 9 16.453 9.552 3.087 58 HB2 LYS 9 HB2 LYS 9 15.885 9.926 0.142 59 HB3 LYS 9 HB3 LYS 9 16.166 11.241 1.275 60 HG2 LYS 9 HG2 LYS 9 18.238 9.154 1.221 61 HG3 LYS 9 HG3 LYS 9 18.081 10.119 -0.249 62 HD2 LYS 9 HD2 LYS 9 17.950 11.998 1.769 63 HD3 LYS 9 HD3 LYS 9 19.152 10.847 2.359 64 HE2 LYS 9 HE2 LYS 9 20.600 11.265 0.626 65 HE3 LYS 9 HE3 LYS 9 19.314 11.770 -0.469 66 HZ1 LYS 9 HZ1 LYS 9 20.695 13.316 1.611 67 HZ2 LYS 9 HZ2 LYS 9 19.101 13.721 1.215 68 HZ3 LYS 9 HZ3 LYS 9 20.304 13.758 0.025 69 H CYS 10 H CYS 10 14.910 10.936 3.899 70 HA CYS 10 HA CYS 10 12.129 10.418 3.075 71 HB2 CYS 10 HB2 CYS 10 11.395 10.460 5.330 72 HB3 CYS 10 HB3 CYS 10 12.805 9.406 5.307 73 H ASN 11 H ASN 11 14.104 12.541 2.353 74 HA ASN 11 HA ASN 11 13.594 14.964 3.606 75 HB2 ASN 11 HB2 ASN 11 14.112 14.500 0.659 76 HB3 ASN 11 HB3 ASN 11 14.320 16.024 1.515 77 HD21 ASN 11 HD21 ASN 11 16.349 16.462 1.929 78 HD22 ASN 11 HD22 ASN 11 17.588 15.319 2.304 79 H ASP 12 H ASP 12 11.600 13.107 1.475 80 HA ASP 12 HA ASP 12 9.478 15.102 1.764 81 HB2 ASP 12 HB2 ASP 12 10.745 15.198 -0.524 82 HB3 ASP 12 HB3 ASP 12 9.820 13.743 -0.887 83 H ILE 13 H ILE 13 10.355 11.833 0.708 84 HA ILE 13 HA ILE 13 7.673 10.840 0.949 85 HB ILE 13 HB ILE 13 9.362 9.871 -0.616 86 HG12 ILE 13 HG12 ILE 13 8.728 7.522 0.996 87 HG13 ILE 13 HG13 ILE 13 7.359 8.616 0.833 88 HG21 ILE 13 HG21 ILE 13 10.546 8.691 1.894 89 HG22 ILE 13 HG22 ILE 13 11.045 8.345 0.239 90 HG23 ILE 13 HG23 ILE 13 11.283 9.957 0.913 91 HD11 ILE 13 HD11 ILE 13 7.312 6.946 -0.904 92 HD12 ILE 13 HD12 ILE 13 7.619 8.535 -1.607 93 HD13 ILE 13 HD13 ILE 13 8.943 7.387 -1.410 94 H HIS 14 H HIS 14 6.804 9.552 2.546 95 HA HIS 14 HA HIS 14 8.137 9.729 5.141 96 HB2 HIS 14 HB2 HIS 14 5.626 10.346 4.566 97 HB3 HIS 14 HB3 HIS 14 5.381 8.622 4.828 98 HD1 HIS 14 HD1 HIS 14 4.387 8.405 7.081 99 HD2 HIS 14 HD2 HIS 14 7.493 11.163 7.019 100 HE1 HIS 14 HE1 HIS 14 4.687 9.133 9.469 101 H CYS 15 H CYS 15 8.148 7.883 6.585 102 HA CYS 15 HA CYS 15 8.793 5.437 5.143 103 HB2 CYS 15 HB2 CYS 15 9.021 5.690 8.115 104 HB3 CYS 15 HB3 CYS 15 10.043 4.803 6.988 105 H CYS 16 H CYS 16 7.972 3.370 5.785 106 HA CYS 16 HA CYS 16 5.174 3.319 6.114 107 HB2 CYS 16 HB2 CYS 16 7.346 1.310 5.935 108 HB3 CYS 16 HB3 CYS 16 5.852 0.776 6.700 109 H SER 17 H SER 17 3.935 2.373 7.836 110 HA SER 17 HA SER 17 4.378 3.456 10.329 111 HB2 SER 17 HB2 SER 17 2.848 0.902 9.780 112 HB3 SER 17 HB3 SER 17 2.629 1.986 11.154 113 HG SER 17 HG SER 17 1.523 3.319 9.937 114 H GLY 18 H GLY 18 6.156 3.153 11.517 115 HA2 GLY 18 HA2 GLY 18 6.884 1.393 13.221 116 HA3 GLY 18 HA3 GLY 18 7.196 0.408 11.800 117 H LEU 19 H LEU 19 7.967 3.222 10.594 118 HA LEU 19 HA LEU 19 10.712 3.200 11.665 119 HB2 LEU 19 HB2 LEU 19 9.785 3.647 8.833 120 HB3 LEU 19 HB3 LEU 19 11.438 3.900 9.391 121 HG LEU 19 HG LEU 19 10.013 1.244 9.481 122 HD11 LEU 19 HD11 LEU 19 11.985 2.288 7.454 123 HD12 LEU 19 HD12 LEU 19 10.273 1.977 7.172 124 HD13 LEU 19 HD13 LEU 19 11.363 0.640 7.539 125 HD21 LEU 19 HD21 LEU 19 11.966 1.779 11.056 126 HD22 LEU 19 HD22 LEU 19 12.967 1.752 9.604 127 HD23 LEU 19 HD23 LEU 19 12.067 0.312 10.082 128 H LYS 20 H LYS 20 11.796 5.182 11.821 129 HA LYS 20 HA LYS 20 10.006 7.509 11.890 130 HB2 LYS 20 HB2 LYS 20 11.601 8.502 13.442 131 HB3 LYS 20 HB3 LYS 20 11.104 6.913 14.010 132 HG2 LYS 20 HG2 LYS 20 13.162 5.979 13.629 133 HG3 LYS 20 HG3 LYS 20 13.581 7.148 12.375 134 HD2 LYS 20 HD2 LYS 20 14.902 7.524 14.390 135 HD3 LYS 20 HD3 LYS 20 13.824 8.888 14.082 136 HE2 LYS 20 HE2 LYS 20 12.735 8.587 16.009 137 HE3 LYS 20 HE3 LYS 20 12.597 6.849 15.752 138 HZ1 LYS 20 HZ1 LYS 20 15.220 7.899 16.495 139 HZ2 LYS 20 HZ2 LYS 20 14.488 6.432 16.907 140 HZ3 LYS 20 HZ3 LYS 20 14.032 7.855 17.699 141 H CYS 21 H CYS 21 10.595 9.470 10.957 142 HA CYS 21 HA CYS 21 12.516 9.227 8.771 143 HB2 CYS 21 HB2 CYS 21 10.415 10.049 8.041 144 HB3 CYS 21 HB3 CYS 21 10.310 11.190 9.378 145 H ASP 22 H ASP 22 14.512 9.519 9.674 146 HA ASP 22 HA ASP 22 15.165 11.406 11.647 147 HB2 ASP 22 HB2 ASP 22 16.502 9.357 10.636 148 HB3 ASP 22 HB3 ASP 22 17.200 10.608 9.610 149 H SER 23 H SER 23 14.637 13.494 11.352 150 HA SER 23 HA SER 23 14.821 14.817 8.828 151 HB2 SER 23 HB2 SER 23 14.463 16.895 10.335 152 HB3 SER 23 HB3 SER 23 13.170 15.700 10.240 153 HG SER 23 HG SER 23 14.885 16.313 12.348 154 H LYS 24 H LYS 24 17.089 14.026 11.189 155 HA LYS 24 HA LYS 24 18.831 16.295 10.743 156 HB2 LYS 24 HB2 LYS 24 19.319 13.710 12.236 157 HB3 LYS 24 HB3 LYS 24 20.385 15.109 12.240 158 HG2 LYS 24 HG2 LYS 24 18.109 16.279 13.043 159 HG3 LYS 24 HG3 LYS 24 17.851 14.650 13.672 160 HD2 LYS 24 HD2 LYS 24 19.265 15.029 15.347 161 HD3 LYS 24 HD3 LYS 24 20.541 15.479 14.213 162 HE2 LYS 24 HE2 LYS 24 18.355 17.374 15.036 163 HE3 LYS 24 HE3 LYS 24 19.870 17.227 15.926 164 HZ1 LYS 24 HZ1 LYS 24 19.370 18.364 13.282 165 HZ2 LYS 24 HZ2 LYS 24 20.845 17.571 13.518 166 HZ3 LYS 24 HZ3 LYS 24 20.423 18.883 14.500 167 H ARG 25 H ARG 25 18.742 12.855 9.898 168 HA ARG 25 HA ARG 25 21.052 13.248 8.134 169 HB2 ARG 25 HB2 ARG 25 19.699 10.683 8.993 170 HB3 ARG 25 HB3 ARG 25 21.167 10.804 8.031 171 HG2 ARG 25 HG2 ARG 25 21.057 12.062 10.735 172 HG3 ARG 25 HG3 ARG 25 21.317 10.324 10.575 173 HD2 ARG 25 HD2 ARG 25 23.468 10.712 10.189 174 HD3 ARG 25 HD3 ARG 25 23.023 11.573 8.716 175 HE ARG 25 HE ARG 25 23.595 13.509 9.764 176 HH11 ARG 25 HH11 ARG 25 22.854 11.126 12.190 177 HH12 ARG 25 HH12 ARG 25 23.281 12.154 13.518 178 HH21 ARG 25 HH21 ARG 25 24.160 14.873 11.503 179 HH22 ARG 25 HH22 ARG 25 24.023 14.286 13.125 180 H LYS 26 H LYS 26 17.847 13.589 7.922 181 HA LYS 26 HA LYS 26 16.286 13.496 6.265 182 HB2 LYS 26 HB2 LYS 26 18.617 13.462 4.355 183 HB3 LYS 26 HB3 LYS 26 17.017 14.143 4.097 184 HG2 LYS 26 HG2 LYS 26 17.894 16.102 4.656 185 HG3 LYS 26 HG3 LYS 26 17.958 15.498 6.314 186 HD2 LYS 26 HD2 LYS 26 20.219 14.420 5.408 187 HD3 LYS 26 HD3 LYS 26 20.125 15.797 4.308 188 HE2 LYS 26 HE2 LYS 26 19.558 16.512 7.073 189 HE3 LYS 26 HE3 LYS 26 21.165 15.818 6.862 190 HZ1 LYS 26 HZ1 LYS 26 21.336 17.461 4.920 191 HZ2 LYS 26 HZ2 LYS 26 21.493 18.063 6.492 192 HZ3 LYS 26 HZ3 LYS 26 20.037 18.259 5.653 193 H VAL 27 H VAL 27 16.904 11.003 7.328 194 HA VAL 27 HA VAL 27 16.167 9.301 5.092 195 HB VAL 27 HB VAL 27 17.838 7.554 5.754 196 HG11 VAL 27 HG11 VAL 27 19.727 8.617 4.560 197 HG12 VAL 27 HG12 VAL 27 18.177 8.854 3.750 198 HG13 VAL 27 HG13 VAL 27 18.896 10.167 4.684 199 HG21 VAL 27 HG21 VAL 27 18.271 9.030 7.954 200 HG22 VAL 27 HG22 VAL 27 19.449 7.888 7.308 201 HG23 VAL 27 HG23 VAL 27 19.596 9.607 6.944 202 H CYS 28 H CYS 28 15.506 7.112 5.833 203 HA CYS 28 HA CYS 28 13.990 7.352 8.294 204 HB2 CYS 28 HB2 CYS 28 14.050 5.217 6.154 205 HB3 CYS 28 HB3 CYS 28 13.000 5.168 7.566 206 H VAL 29 H VAL 29 14.173 6.026 10.080 207 HA VAL 29 HA VAL 29 16.229 3.972 10.142 208 HB VAL 29 HB VAL 29 17.365 4.890 12.098 209 HG11 VAL 29 HG11 VAL 29 17.298 6.905 9.855 210 HG12 VAL 29 HG12 VAL 29 18.615 6.637 10.999 211 HG13 VAL 29 HG13 VAL 29 18.199 5.390 9.823 212 HG21 VAL 29 HG21 VAL 29 15.569 6.180 13.068 213 HG22 VAL 29 HG22 VAL 29 16.955 7.231 12.780 214 HG23 VAL 29 HG23 VAL 29 15.570 7.280 11.689 215 H LYS 30 H LYS 30 16.225 2.781 12.223 216 HA LYS 30 HA LYS 30 13.583 2.094 12.972 217 HB2 LYS 30 HB2 LYS 30 15.833 0.724 13.043 218 HB3 LYS 30 HB3 LYS 30 15.929 1.366 14.677 219 HG2 LYS 30 HG2 LYS 30 14.228 0.084 15.431 220 HG3 LYS 30 HG3 LYS 30 13.359 0.139 13.895 221 HD2 LYS 30 HD2 LYS 30 15.909 -1.286 13.754 222 HD3 LYS 30 HD3 LYS 30 14.748 -2.018 14.864 223 HE2 LYS 30 HE2 LYS 30 14.286 -3.037 12.818 224 HE3 LYS 30 HE3 LYS 30 13.063 -1.774 12.944 225 HZ1 LYS 30 HZ1 LYS 30 15.533 -1.003 11.634 226 HZ2 LYS 30 HZ2 LYS 30 13.932 -0.641 11.227 227 HZ3 LYS 30 HZ3 LYS 30 14.596 -2.137 10.799 228 H GLY 31 H GLY 31 12.291 2.891 14.504 229 HA2 GLY 31 HA2 GLY 31 12.675 3.619 17.031 230 HA3 GLY 31 HA3 GLY 31 13.309 5.032 16.201 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.023 1.101 1.431 2 HA2 GLY 1 HA2 GLY 1 1.801 0.294 -0.631 3 HA3 GLY 1 HA3 GLY 1 1.288 1.919 -1.060 4 H TYR 2 H TYR 2 4.059 -0.033 -0.085 5 HA TYR 2 HA TYR 2 6.298 0.210 -0.417 6 HB2 TYR 2 HB2 TYR 2 5.719 0.001 -2.747 7 HB3 TYR 2 HB3 TYR 2 5.258 1.698 -2.834 8 HD1 TYR 2 HD1 TYR 2 6.736 2.972 -4.049 9 HD2 TYR 2 HD2 TYR 2 8.268 -0.190 -1.649 10 HE1 TYR 2 HE1 TYR 2 9.021 3.560 -4.743 11 HE2 TYR 2 HE2 TYR 2 10.557 0.391 -2.335 12 HH TYR 2 HH TYR 2 11.837 1.838 -3.442 13 H CYS 3 H CYS 3 6.630 1.463 1.462 14 HA CYS 3 HA CYS 3 6.781 4.367 1.089 15 HB2 CYS 3 HB2 CYS 3 7.342 3.142 3.737 16 HB3 CYS 3 HB3 CYS 3 6.456 4.610 3.340 17 H ALA 4 H ALA 4 8.662 5.107 2.882 18 HA ALA 4 HA ALA 4 11.112 4.232 1.568 19 HB1 ALA 4 HB1 ALA 4 12.079 6.155 2.986 20 HB2 ALA 4 HB2 ALA 4 11.014 6.553 1.637 21 HB3 ALA 4 HB3 ALA 4 10.393 6.577 3.287 22 H THR 5 H THR 5 12.083 2.509 2.416 23 HA THR 5 HA THR 5 11.829 1.859 5.222 24 HB THR 5 HB THR 5 13.478 -0.026 4.506 25 HG1 THR 5 HG1 THR 5 13.607 -0.369 2.318 26 HG21 THR 5 HG21 THR 5 10.642 0.294 4.303 27 HG22 THR 5 HG22 THR 5 11.568 -1.161 4.668 28 HG23 THR 5 HG23 THR 5 11.202 -0.745 2.994 29 H LYS 6 H LYS 6 13.953 1.046 6.302 30 HA LYS 6 HA LYS 6 15.518 3.175 7.004 31 HB2 LYS 6 HB2 LYS 6 15.408 0.880 8.089 32 HB3 LYS 6 HB3 LYS 6 16.577 0.352 6.885 33 HG2 LYS 6 HG2 LYS 6 18.222 1.871 7.713 34 HG3 LYS 6 HG3 LYS 6 17.048 2.636 8.787 35 HD2 LYS 6 HD2 LYS 6 17.833 1.234 10.348 36 HD3 LYS 6 HD3 LYS 6 16.887 -0.002 9.516 37 HE2 LYS 6 HE2 LYS 6 19.155 0.010 8.028 38 HE3 LYS 6 HE3 LYS 6 19.797 0.411 9.620 39 HZ1 LYS 6 HZ1 LYS 6 18.656 -2.069 8.658 40 HZ2 LYS 6 HZ2 LYS 6 18.150 -1.612 10.206 41 HZ3 LYS 6 HZ3 LYS 6 19.798 -1.803 9.878 42 H GLY 7 H GLY 7 17.186 4.273 6.162 43 HA2 GLY 7 HA2 GLY 7 19.191 4.497 4.915 44 HA3 GLY 7 HA3 GLY 7 18.745 3.070 3.991 45 H ILE 8 H ILE 8 15.956 4.269 3.741 46 HA ILE 8 HA ILE 8 16.510 5.702 1.286 47 HB ILE 8 HB ILE 8 13.819 5.072 2.499 48 HG12 ILE 8 HG12 ILE 8 15.169 3.025 2.160 49 HG13 ILE 8 HG13 ILE 8 13.782 3.093 1.079 50 HG21 ILE 8 HG21 ILE 8 13.207 5.165 0.002 51 HG22 ILE 8 HG22 ILE 8 13.479 6.684 0.855 52 HG23 ILE 8 HG23 ILE 8 14.736 6.023 -0.190 53 HD11 ILE 8 HD11 ILE 8 16.046 4.294 -0.187 54 HD12 ILE 8 HD12 ILE 8 16.468 2.689 0.410 55 HD13 ILE 8 HD13 ILE 8 15.098 2.892 -0.682 56 H LYS 9 H LYS 9 16.437 7.837 1.014 57 HA LYS 9 HA LYS 9 16.400 9.661 3.081 58 HB2 LYS 9 HB2 LYS 9 15.501 10.243 0.255 59 HB3 LYS 9 HB3 LYS 9 16.175 11.388 1.408 60 HG2 LYS 9 HG2 LYS 9 18.006 9.227 1.071 61 HG3 LYS 9 HG3 LYS 9 17.533 9.844 -0.514 62 HD2 LYS 9 HD2 LYS 9 18.014 12.161 0.407 63 HD3 LYS 9 HD3 LYS 9 18.776 11.350 1.777 64 HE2 LYS 9 HE2 LYS 9 20.024 10.058 -0.178 65 HE3 LYS 9 HE3 LYS 9 19.651 11.542 -1.055 66 HZ1 LYS 9 HZ1 LYS 9 21.435 12.413 -0.101 67 HZ2 LYS 9 HZ2 LYS 9 21.638 11.080 0.920 68 HZ3 LYS 9 HZ3 LYS 9 20.627 12.354 1.384 69 H CYS 10 H CYS 10 14.881 10.973 4.032 70 HA CYS 10 HA CYS 10 12.066 10.392 3.381 71 HB2 CYS 10 HB2 CYS 10 11.487 10.306 5.642 72 HB3 CYS 10 HB3 CYS 10 13.034 9.466 5.598 73 H ASN 11 H ASN 11 14.137 12.622 2.779 74 HA ASN 11 HA ASN 11 13.299 14.987 4.027 75 HB2 ASN 11 HB2 ASN 11 15.342 15.059 2.829 76 HB3 ASN 11 HB3 ASN 11 14.592 14.446 1.358 77 HD21 ASN 11 HD21 ASN 11 14.242 15.896 -0.146 78 HD22 ASN 11 HD22 ASN 11 13.996 17.588 0.102 79 H ASP 12 H ASP 12 11.771 13.036 1.669 80 HA ASP 12 HA ASP 12 9.626 15.020 1.429 81 HB2 ASP 12 HB2 ASP 12 11.181 15.013 -0.610 82 HB3 ASP 12 HB3 ASP 12 10.527 13.414 -0.957 83 H ILE 13 H ILE 13 10.543 11.694 0.525 84 HA ILE 13 HA ILE 13 7.843 10.752 0.652 85 HB ILE 13 HB ILE 13 9.572 9.722 -0.807 86 HG12 ILE 13 HG12 ILE 13 8.913 7.381 -0.350 87 HG13 ILE 13 HG13 ILE 13 8.302 7.873 1.225 88 HG21 ILE 13 HG21 ILE 13 11.258 8.280 0.094 89 HG22 ILE 13 HG22 ILE 13 11.406 9.855 0.872 90 HG23 ILE 13 HG23 ILE 13 10.651 8.515 1.733 91 HD11 ILE 13 HD11 ILE 13 7.151 9.479 -0.866 92 HD12 ILE 13 HD12 ILE 13 6.896 7.760 -1.166 93 HD13 ILE 13 HD13 ILE 13 6.362 8.478 0.353 94 H HIS 14 H HIS 14 6.887 9.429 2.192 95 HA HIS 14 HA HIS 14 8.029 9.671 4.871 96 HB2 HIS 14 HB2 HIS 14 5.783 9.016 5.656 97 HB3 HIS 14 HB3 HIS 14 5.723 10.417 4.591 98 HD1 HIS 14 HD1 HIS 14 4.956 6.723 4.616 99 HD2 HIS 14 HD2 HIS 14 4.189 10.106 2.329 100 HE1 HIS 14 HE1 HIS 14 3.235 6.016 2.924 101 H CYS 15 H CYS 15 8.144 7.878 6.306 102 HA CYS 15 HA CYS 15 8.811 5.398 4.936 103 HB2 CYS 15 HB2 CYS 15 9.066 5.759 7.897 104 HB3 CYS 15 HB3 CYS 15 10.084 4.839 6.794 105 H CYS 16 H CYS 16 8.019 3.344 5.627 106 HA CYS 16 HA CYS 16 5.225 3.276 6.021 107 HB2 CYS 16 HB2 CYS 16 7.407 1.282 5.796 108 HB3 CYS 16 HB3 CYS 16 5.940 0.742 6.607 109 H SER 17 H SER 17 4.060 2.266 7.784 110 HA SER 17 HA SER 17 4.525 3.396 10.253 111 HB2 SER 17 HB2 SER 17 2.457 2.067 9.257 112 HB3 SER 17 HB3 SER 17 3.169 0.735 10.168 113 HG SER 17 HG SER 17 2.345 1.597 11.884 114 H GLY 18 H GLY 18 6.028 3.083 11.748 115 HA2 GLY 18 HA2 GLY 18 6.958 1.404 13.323 116 HA3 GLY 18 HA3 GLY 18 7.296 0.417 11.908 117 H LEU 19 H LEU 19 8.019 3.098 10.544 118 HA LEU 19 HA LEU 19 10.760 3.203 11.617 119 HB2 LEU 19 HB2 LEU 19 9.754 3.692 8.818 120 HB3 LEU 19 HB3 LEU 19 11.417 3.948 9.342 121 HG LEU 19 HG LEU 19 10.013 1.279 9.390 122 HD11 LEU 19 HD11 LEU 19 11.999 2.345 7.388 123 HD12 LEU 19 HD12 LEU 19 10.274 2.126 7.098 124 HD13 LEU 19 HD13 LEU 19 11.298 0.726 7.415 125 HD21 LEU 19 HD21 LEU 19 11.950 1.746 10.976 126 HD22 LEU 19 HD22 LEU 19 12.961 1.838 9.533 127 HD23 LEU 19 HD23 LEU 19 12.101 0.345 9.915 128 H LYS 20 H LYS 20 11.823 5.220 11.712 129 HA LYS 20 HA LYS 20 9.976 7.501 11.890 130 HB2 LYS 20 HB2 LYS 20 11.586 8.506 13.416 131 HB3 LYS 20 HB3 LYS 20 11.142 6.897 13.972 132 HG2 LYS 20 HG2 LYS 20 13.219 6.066 13.666 133 HG3 LYS 20 HG3 LYS 20 13.533 7.073 12.251 134 HD2 LYS 20 HD2 LYS 20 14.699 8.484 13.512 135 HD3 LYS 20 HD3 LYS 20 13.272 8.781 14.507 136 HE2 LYS 20 HE2 LYS 20 14.003 6.440 15.543 137 HE3 LYS 20 HE3 LYS 20 15.583 6.978 14.973 138 HZ1 LYS 20 HZ1 LYS 20 14.390 7.683 17.324 139 HZ2 LYS 20 HZ2 LYS 20 14.166 9.045 16.347 140 HZ3 LYS 20 HZ3 LYS 20 15.724 8.446 16.618 141 H CYS 21 H CYS 21 10.589 9.538 11.064 142 HA CYS 21 HA CYS 21 12.380 9.350 8.763 143 HB2 CYS 21 HB2 CYS 21 10.233 10.240 8.220 144 HB3 CYS 21 HB3 CYS 21 10.284 11.365 9.573 145 H ASP 22 H ASP 22 14.411 9.507 9.679 146 HA ASP 22 HA ASP 22 15.206 11.316 11.654 147 HB2 ASP 22 HB2 ASP 22 16.450 9.276 10.578 148 HB3 ASP 22 HB3 ASP 22 17.094 10.492 9.478 149 H SER 23 H SER 23 14.694 13.423 11.446 150 HA SER 23 HA SER 23 14.848 14.831 8.963 151 HB2 SER 23 HB2 SER 23 14.240 16.799 10.258 152 HB3 SER 23 HB3 SER 23 13.251 15.433 10.773 153 HG SER 23 HG SER 23 13.970 16.348 12.625 154 H LYS 24 H LYS 24 17.139 13.929 11.265 155 HA LYS 24 HA LYS 24 18.908 16.187 10.859 156 HB2 LYS 24 HB2 LYS 24 19.330 13.563 12.302 157 HB3 LYS 24 HB3 LYS 24 20.474 14.898 12.287 158 HG2 LYS 24 HG2 LYS 24 17.954 15.913 13.103 159 HG3 LYS 24 HG3 LYS 24 18.294 14.455 14.038 160 HD2 LYS 24 HD2 LYS 24 19.285 16.134 15.303 161 HD3 LYS 24 HD3 LYS 24 20.638 15.494 14.367 162 HE2 LYS 24 HE2 LYS 24 19.180 17.656 13.039 163 HE3 LYS 24 HE3 LYS 24 19.947 18.134 14.552 164 HZ1 LYS 24 HZ1 LYS 24 21.780 16.589 13.137 165 HZ2 LYS 24 HZ2 LYS 24 21.862 18.244 13.476 166 HZ3 LYS 24 HZ3 LYS 24 21.140 17.710 12.043 167 H ARG 25 H ARG 25 18.763 12.769 9.935 168 HA ARG 25 HA ARG 25 21.056 13.173 8.152 169 HB2 ARG 25 HB2 ARG 25 19.682 10.641 9.070 170 HB3 ARG 25 HB3 ARG 25 21.036 10.691 7.949 171 HG2 ARG 25 HG2 ARG 25 21.504 12.114 10.464 172 HG3 ARG 25 HG3 ARG 25 21.243 10.377 10.639 173 HD2 ARG 25 HD2 ARG 25 23.106 9.837 9.387 174 HD3 ARG 25 HD3 ARG 25 23.111 11.383 8.539 175 HE ARG 25 HE ARG 25 23.618 11.772 11.292 176 HH11 ARG 25 HH11 ARG 25 25.108 10.591 8.376 177 HH12 ARG 25 HH12 ARG 25 26.719 10.969 8.891 178 HH21 ARG 25 HH21 ARG 25 25.734 12.274 11.982 179 HH22 ARG 25 HH22 ARG 25 27.074 11.925 10.942 180 H LYS 26 H LYS 26 17.850 13.559 7.989 181 HA LYS 26 HA LYS 26 16.266 13.520 6.351 182 HB2 LYS 26 HB2 LYS 26 18.610 13.556 4.449 183 HB3 LYS 26 HB3 LYS 26 16.992 14.184 4.166 184 HG2 LYS 26 HG2 LYS 26 17.831 15.551 6.411 185 HG3 LYS 26 HG3 LYS 26 19.284 15.443 5.415 186 HD2 LYS 26 HD2 LYS 26 17.418 16.109 3.556 187 HD3 LYS 26 HD3 LYS 26 16.795 16.947 4.979 188 HE2 LYS 26 HE2 LYS 26 19.575 17.390 4.935 189 HE3 LYS 26 HE3 LYS 26 19.003 17.638 3.286 190 HZ1 LYS 26 HZ1 LYS 26 18.292 19.099 5.735 191 HZ2 LYS 26 HZ2 LYS 26 17.176 19.024 4.466 192 HZ3 LYS 26 HZ3 LYS 26 18.705 19.701 4.209 193 H VAL 27 H VAL 27 16.817 11.002 7.328 194 HA VAL 27 HA VAL 27 16.095 9.373 5.033 195 HB VAL 27 HB VAL 27 17.722 7.579 5.683 196 HG11 VAL 27 HG11 VAL 27 18.846 10.199 4.702 197 HG12 VAL 27 HG12 VAL 27 19.653 8.637 4.553 198 HG13 VAL 27 HG13 VAL 27 18.124 8.925 3.722 199 HG21 VAL 27 HG21 VAL 27 19.324 7.853 7.263 200 HG22 VAL 27 HG22 VAL 27 19.475 9.586 6.969 201 HG23 VAL 27 HG23 VAL 27 18.134 8.968 7.934 202 H CYS 28 H CYS 28 15.490 7.116 5.749 203 HA CYS 28 HA CYS 28 13.871 7.337 8.154 204 HB2 CYS 28 HB2 CYS 28 14.003 5.179 6.037 205 HB3 CYS 28 HB3 CYS 28 12.861 5.209 7.376 206 H VAL 29 H VAL 29 14.125 6.159 9.987 207 HA VAL 29 HA VAL 29 16.109 4.023 10.074 208 HB VAL 29 HB VAL 29 17.230 4.963 12.049 209 HG11 VAL 29 HG11 VAL 29 17.334 6.927 9.769 210 HG12 VAL 29 HG12 VAL 29 18.625 6.510 10.898 211 HG13 VAL 29 HG13 VAL 29 18.072 5.327 9.712 212 HG21 VAL 29 HG21 VAL 29 15.388 7.277 11.526 213 HG22 VAL 29 HG22 VAL 29 15.642 6.388 13.028 214 HG23 VAL 29 HG23 VAL 29 16.896 7.469 12.421 215 H LYS 30 H LYS 30 16.141 2.997 12.306 216 HA LYS 30 HA LYS 30 13.492 2.266 13.008 217 HB2 LYS 30 HB2 LYS 30 15.511 0.789 13.195 218 HB3 LYS 30 HB3 LYS 30 16.020 1.744 14.581 219 HG2 LYS 30 HG2 LYS 30 14.631 0.680 15.955 220 HG3 LYS 30 HG3 LYS 30 13.283 0.795 14.820 221 HD2 LYS 30 HD2 LYS 30 14.222 -1.108 13.560 222 HD3 LYS 30 HD3 LYS 30 15.511 -1.241 14.758 223 HE2 LYS 30 HE2 LYS 30 14.144 -2.687 15.785 224 HE3 LYS 30 HE3 LYS 30 13.275 -1.252 16.326 225 HZ1 LYS 30 HZ1 LYS 30 12.519 -2.172 13.700 226 HZ2 LYS 30 HZ2 LYS 30 11.549 -1.710 15.006 227 HZ3 LYS 30 HZ3 LYS 30 12.180 -3.278 14.935 228 H GLY 31 H GLY 31 12.155 3.005 14.552 229 HA2 GLY 31 HA2 GLY 31 13.198 4.612 16.748 230 HA3 GLY 31 HA3 GLY 31 12.114 5.434 15.635 Start of MODEL 8 1 H1 GLY 1 H GLY 1 0.759 -0.266 -0.919 2 HA2 GLY 1 HA2 GLY 1 1.500 2.069 -0.519 3 HA3 GLY 1 HA3 GLY 1 2.051 0.995 0.758 4 H TYR 2 H TYR 2 4.215 -0.121 0.210 5 HA TYR 2 HA TYR 2 6.467 0.167 0.031 6 HB2 TYR 2 HB2 TYR 2 6.007 -0.141 -2.328 7 HB3 TYR 2 HB3 TYR 2 5.582 1.558 -2.505 8 HD1 TYR 2 HD1 TYR 2 7.175 2.958 -3.406 9 HD2 TYR 2 HD2 TYR 2 8.458 -0.522 -1.321 10 HE1 TYR 2 HE1 TYR 2 9.509 3.488 -3.971 11 HE2 TYR 2 HE2 TYR 2 10.796 -0.001 -1.879 12 HH TYR 2 HH TYR 2 11.687 3.010 -3.437 13 H CYS 3 H CYS 3 6.740 1.486 1.848 14 HA CYS 3 HA CYS 3 6.799 4.382 1.393 15 HB2 CYS 3 HB2 CYS 3 7.336 3.255 4.089 16 HB3 CYS 3 HB3 CYS 3 6.406 4.677 3.628 17 H ALA 4 H ALA 4 8.605 5.324 3.085 18 HA ALA 4 HA ALA 4 11.108 4.527 1.872 19 HB1 ALA 4 HB1 ALA 4 11.997 6.453 3.283 20 HB2 ALA 4 HB2 ALA 4 10.835 6.853 2.018 21 HB3 ALA 4 HB3 ALA 4 10.314 6.773 3.701 22 H THR 5 H THR 5 12.054 2.762 2.685 23 HA THR 5 HA THR 5 11.845 2.086 5.488 24 HB THR 5 HB THR 5 13.505 0.222 4.721 25 HG1 THR 5 HG1 THR 5 13.762 0.001 2.589 26 HG21 THR 5 HG21 THR 5 11.195 -0.512 3.269 27 HG22 THR 5 HG22 THR 5 10.661 0.514 4.601 28 HG23 THR 5 HG23 THR 5 11.613 -0.934 4.929 29 H LYS 6 H LYS 6 13.937 1.338 6.596 30 HA LYS 6 HA LYS 6 15.526 3.481 7.215 31 HB2 LYS 6 HB2 LYS 6 15.473 1.471 8.578 32 HB3 LYS 6 HB3 LYS 6 16.255 0.549 7.301 33 HG2 LYS 6 HG2 LYS 6 18.312 1.553 7.656 34 HG3 LYS 6 HG3 LYS 6 17.602 2.941 8.485 35 HD2 LYS 6 HD2 LYS 6 18.133 1.916 10.394 36 HD3 LYS 6 HD3 LYS 6 16.838 0.772 10.031 37 HE2 LYS 6 HE2 LYS 6 18.323 -0.795 9.127 38 HE3 LYS 6 HE3 LYS 6 19.605 0.400 8.931 39 HZ1 LYS 6 HZ1 LYS 6 19.369 0.514 11.528 40 HZ2 LYS 6 HZ2 LYS 6 20.327 -0.668 10.788 41 HZ3 LYS 6 HZ3 LYS 6 18.772 -1.056 11.329 42 H GLY 7 H GLY 7 17.321 4.441 6.420 43 HA2 GLY 7 HA2 GLY 7 19.286 4.627 5.150 44 HA3 GLY 7 HA3 GLY 7 18.876 3.123 4.337 45 H ILE 8 H ILE 8 16.068 4.437 4.041 46 HA ILE 8 HA ILE 8 16.663 5.595 1.440 47 HB ILE 8 HB ILE 8 13.952 5.099 2.668 48 HG12 ILE 8 HG12 ILE 8 15.302 3.020 2.535 49 HG13 ILE 8 HG13 ILE 8 13.909 2.994 1.459 50 HG21 ILE 8 HG21 ILE 8 13.568 6.504 0.887 51 HG22 ILE 8 HG22 ILE 8 14.931 5.877 -0.039 52 HG23 ILE 8 HG23 ILE 8 13.453 4.926 0.110 53 HD11 ILE 8 HD11 ILE 8 15.227 2.577 -0.261 54 HD12 ILE 8 HD12 ILE 8 16.143 4.052 0.048 55 HD13 ILE 8 HD13 ILE 8 16.612 2.542 0.829 56 H LYS 9 H LYS 9 16.890 7.705 1.171 57 HA LYS 9 HA LYS 9 16.602 9.642 3.121 58 HB2 LYS 9 HB2 LYS 9 16.307 10.083 0.145 59 HB3 LYS 9 HB3 LYS 9 16.773 11.285 1.342 60 HG2 LYS 9 HG2 LYS 9 18.517 8.990 1.444 61 HG3 LYS 9 HG3 LYS 9 18.460 9.685 -0.178 62 HD2 LYS 9 HD2 LYS 9 18.709 11.585 2.078 63 HD3 LYS 9 HD3 LYS 9 20.113 10.571 1.735 64 HE2 LYS 9 HE2 LYS 9 19.208 11.483 -0.753 65 HE3 LYS 9 HE3 LYS 9 19.126 12.878 0.321 66 HZ1 LYS 9 HZ1 LYS 9 21.301 13.100 0.086 67 HZ2 LYS 9 HZ2 LYS 9 21.395 11.697 -0.855 68 HZ3 LYS 9 HZ3 LYS 9 21.539 11.598 0.828 69 H CYS 10 H CYS 10 15.002 10.989 3.795 70 HA CYS 10 HA CYS 10 12.338 10.593 2.596 71 HB2 CYS 10 HB2 CYS 10 11.411 11.023 4.875 72 HB3 CYS 10 HB3 CYS 10 12.364 9.546 4.767 73 H ASN 11 H ASN 11 13.577 12.497 1.380 74 HA ASN 11 HA ASN 11 13.427 15.042 2.718 75 HB2 ASN 11 HB2 ASN 11 14.113 14.167 -0.076 76 HB3 ASN 11 HB3 ASN 11 13.877 15.871 0.302 77 HD21 ASN 11 HD21 ASN 11 15.344 16.925 1.625 78 HD22 ASN 11 HD22 ASN 11 16.897 16.262 1.992 79 H ASP 12 H ASP 12 11.365 13.102 0.729 80 HA ASP 12 HA ASP 12 9.215 15.024 1.075 81 HB2 ASP 12 HB2 ASP 12 10.490 15.410 -1.174 82 HB3 ASP 12 HB3 ASP 12 9.635 13.962 -1.699 83 H ILE 13 H ILE 13 10.077 12.183 1.783 84 HA ILE 13 HA ILE 13 7.474 10.966 1.209 85 HB ILE 13 HB ILE 13 9.140 10.056 -0.412 86 HG12 ILE 13 HG12 ILE 13 8.569 7.716 1.282 87 HG13 ILE 13 HG13 ILE 13 7.182 8.758 0.983 88 HG21 ILE 13 HG21 ILE 13 10.428 8.864 2.039 89 HG22 ILE 13 HG22 ILE 13 10.899 8.589 0.363 90 HG23 ILE 13 HG23 ILE 13 11.096 10.187 1.084 91 HD11 ILE 13 HD11 ILE 13 8.136 8.556 -1.510 92 HD12 ILE 13 HD12 ILE 13 8.671 7.008 -0.854 93 HD13 ILE 13 HD13 ILE 13 6.961 7.437 -0.820 94 H HIS 14 H HIS 14 6.666 9.679 2.827 95 HA HIS 14 HA HIS 14 8.082 9.834 5.378 96 HB2 HIS 14 HB2 HIS 14 5.922 9.208 6.380 97 HB3 HIS 14 HB3 HIS 14 5.768 10.623 5.343 98 HD1 HIS 14 HD1 HIS 14 3.985 10.523 3.614 99 HD2 HIS 14 HD2 HIS 14 4.981 6.755 5.054 100 HE1 HIS 14 HE1 HIS 14 2.334 8.944 2.563 101 H CYS 15 H CYS 15 8.124 7.967 6.807 102 HA CYS 15 HA CYS 15 8.756 5.546 5.319 103 HB2 CYS 15 HB2 CYS 15 9.039 5.750 8.289 104 HB3 CYS 15 HB3 CYS 15 10.050 4.898 7.126 105 H CYS 16 H CYS 16 7.979 3.457 5.990 106 HA CYS 16 HA CYS 16 5.189 3.356 6.315 107 HB2 CYS 16 HB2 CYS 16 7.401 1.385 6.211 108 HB3 CYS 16 HB3 CYS 16 5.909 0.843 6.975 109 H SER 17 H SER 17 3.933 2.508 8.049 110 HA SER 17 HA SER 17 4.378 3.635 10.523 111 HB2 SER 17 HB2 SER 17 2.860 1.056 10.347 112 HB3 SER 17 HB3 SER 17 2.473 2.520 11.252 113 HG SER 17 HG SER 17 1.276 1.979 9.184 114 H GLY 18 H GLY 18 6.219 3.324 11.635 115 HA2 GLY 18 HA2 GLY 18 6.865 1.569 13.414 116 HA3 GLY 18 HA3 GLY 18 7.182 0.568 12.005 117 H LEU 19 H LEU 19 7.998 3.366 10.787 118 HA LEU 19 HA LEU 19 10.741 3.292 11.862 119 HB2 LEU 19 HB2 LEU 19 9.775 3.755 9.050 120 HB3 LEU 19 HB3 LEU 19 11.422 4.098 9.576 121 HG LEU 19 HG LEU 19 10.145 1.368 9.692 122 HD11 LEU 19 HD11 LEU 19 12.050 2.480 7.638 123 HD12 LEU 19 HD12 LEU 19 10.336 2.161 7.377 124 HD13 LEU 19 HD13 LEU 19 11.439 0.827 7.716 125 HD21 LEU 19 HD21 LEU 19 13.060 2.100 9.804 126 HD22 LEU 19 HD22 LEU 19 12.304 0.553 10.184 127 HD23 LEU 19 HD23 LEU 19 12.061 1.939 11.249 128 H LYS 20 H LYS 20 11.950 5.325 11.659 129 HA LYS 20 HA LYS 20 10.177 7.672 11.850 130 HB2 LYS 20 HB2 LYS 20 12.532 6.847 13.514 131 HB3 LYS 20 HB3 LYS 20 12.122 8.550 13.355 132 HG2 LYS 20 HG2 LYS 20 9.786 7.904 14.113 133 HG3 LYS 20 HG3 LYS 20 10.483 6.347 14.564 134 HD2 LYS 20 HD2 LYS 20 11.024 7.277 16.517 135 HD3 LYS 20 HD3 LYS 20 12.227 8.224 15.640 136 HE2 LYS 20 HE2 LYS 20 9.383 9.144 15.791 137 HE3 LYS 20 HE3 LYS 20 10.487 9.437 17.134 138 HZ1 LYS 20 HZ1 LYS 20 10.242 10.879 14.750 139 HZ2 LYS 20 HZ2 LYS 20 11.776 10.168 14.760 140 HZ3 LYS 20 HZ3 LYS 20 11.298 11.164 16.041 141 H CYS 21 H CYS 21 10.648 9.384 10.607 142 HA CYS 21 HA CYS 21 12.821 9.151 8.713 143 HB2 CYS 21 HB2 CYS 21 10.797 9.935 7.771 144 HB3 CYS 21 HB3 CYS 21 10.555 11.105 9.064 145 H ASP 22 H ASP 22 14.749 9.515 9.708 146 HA ASP 22 HA ASP 22 15.267 11.412 11.695 147 HB2 ASP 22 HB2 ASP 22 16.712 9.424 10.738 148 HB3 ASP 22 HB3 ASP 22 17.394 10.689 9.720 149 H SER 23 H SER 23 14.762 13.501 11.447 150 HA SER 23 HA SER 23 14.915 14.868 8.947 151 HB2 SER 23 HB2 SER 23 14.498 15.856 11.775 152 HB3 SER 23 HB3 SER 23 14.443 16.906 10.359 153 HG SER 23 HG SER 23 12.398 15.869 11.227 154 H LYS 24 H LYS 24 17.219 14.047 11.261 155 HA LYS 24 HA LYS 24 18.939 16.338 10.844 156 HB2 LYS 24 HB2 LYS 24 19.319 13.740 12.336 157 HB3 LYS 24 HB3 LYS 24 20.559 14.982 12.224 158 HG2 LYS 24 HG2 LYS 24 17.899 15.851 13.170 159 HG3 LYS 24 HG3 LYS 24 18.834 14.816 14.252 160 HD2 LYS 24 HD2 LYS 24 20.056 16.568 14.864 161 HD3 LYS 24 HD3 LYS 24 20.591 16.777 13.195 162 HE2 LYS 24 HE2 LYS 24 19.597 18.792 13.434 163 HE3 LYS 24 HE3 LYS 24 18.147 17.875 13.027 164 HZ1 LYS 24 HZ1 LYS 24 17.297 18.309 15.011 165 HZ2 LYS 24 HZ2 LYS 24 18.595 19.350 15.313 166 HZ3 LYS 24 HZ3 LYS 24 18.673 17.735 15.810 167 H ARG 25 H ARG 25 18.893 12.907 9.946 168 HA ARG 25 HA ARG 25 21.152 13.376 8.134 169 HB2 ARG 25 HB2 ARG 25 19.887 10.802 9.090 170 HB3 ARG 25 HB3 ARG 25 21.235 10.896 7.966 171 HG2 ARG 25 HG2 ARG 25 21.424 12.183 10.656 172 HG3 ARG 25 HG3 ARG 25 21.694 10.450 10.467 173 HD2 ARG 25 HD2 ARG 25 23.106 12.221 8.569 174 HD3 ARG 25 HD3 ARG 25 23.641 12.285 10.247 175 HE ARG 25 HE ARG 25 23.405 9.606 9.288 176 HH11 ARG 25 HH11 ARG 25 25.461 12.415 9.311 177 HH12 ARG 25 HH12 ARG 25 26.919 11.511 9.067 178 HH21 ARG 25 HH21 ARG 25 25.317 8.405 8.967 179 HH22 ARG 25 HH22 ARG 25 26.836 9.230 8.870 180 H LYS 26 H LYS 26 17.953 13.682 7.984 181 HA LYS 26 HA LYS 26 16.354 13.567 6.364 182 HB2 LYS 26 HB2 LYS 26 18.778 13.698 4.560 183 HB3 LYS 26 HB3 LYS 26 17.123 14.044 4.076 184 HG2 LYS 26 HG2 LYS 26 17.387 16.154 4.677 185 HG3 LYS 26 HG3 LYS 26 17.718 15.649 6.335 186 HD2 LYS 26 HD2 LYS 26 20.100 15.244 5.613 187 HD3 LYS 26 HD3 LYS 26 19.691 16.042 4.093 188 HE2 LYS 26 HE2 LYS 26 19.009 17.448 6.616 189 HE3 LYS 26 HE3 LYS 26 20.711 17.358 6.167 190 HZ1 LYS 26 HZ1 LYS 26 19.323 18.072 3.879 191 HZ2 LYS 26 HZ2 LYS 26 20.353 19.045 4.801 192 HZ3 LYS 26 HZ3 LYS 26 18.692 19.031 5.121 193 H VAL 27 H VAL 27 17.040 11.076 7.398 194 HA VAL 27 HA VAL 27 16.283 9.376 5.165 195 HB VAL 27 HB VAL 27 17.983 7.648 5.786 196 HG11 VAL 27 HG11 VAL 27 19.866 8.779 4.612 197 HG12 VAL 27 HG12 VAL 27 18.311 8.943 3.794 198 HG13 VAL 27 HG13 VAL 27 18.967 10.292 4.723 199 HG21 VAL 27 HG21 VAL 27 19.577 9.822 7.076 200 HG22 VAL 27 HG22 VAL 27 18.422 8.894 8.032 201 HG23 VAL 27 HG23 VAL 27 19.751 8.072 7.213 202 H CYS 28 H CYS 28 15.293 7.421 5.795 203 HA CYS 28 HA CYS 28 13.957 7.559 8.325 204 HB2 CYS 28 HB2 CYS 28 13.926 5.466 6.143 205 HB3 CYS 28 HB3 CYS 28 12.901 5.414 7.574 206 H VAL 29 H VAL 29 13.951 5.898 9.944 207 HA VAL 29 HA VAL 29 16.162 4.010 9.960 208 HB VAL 29 HB VAL 29 16.857 4.778 12.266 209 HG11 VAL 29 HG11 VAL 29 17.478 6.994 10.393 210 HG12 VAL 29 HG12 VAL 29 18.557 6.011 11.385 211 HG13 VAL 29 HG13 VAL 29 17.891 5.356 9.888 212 HG21 VAL 29 HG21 VAL 29 16.269 6.881 13.081 213 HG22 VAL 29 HG22 VAL 29 15.661 7.425 11.518 214 HG23 VAL 29 HG23 VAL 29 14.749 6.243 12.457 215 H LYS 30 H LYS 30 16.133 2.821 12.197 216 HA LYS 30 HA LYS 30 13.779 1.395 12.408 217 HB2 LYS 30 HB2 LYS 30 16.069 0.811 13.351 218 HB3 LYS 30 HB3 LYS 30 15.665 1.836 14.721 219 HG2 LYS 30 HG2 LYS 30 13.618 0.396 15.039 220 HG3 LYS 30 HG3 LYS 30 14.323 -0.709 13.856 221 HD2 LYS 30 HD2 LYS 30 15.861 0.196 16.271 222 HD3 LYS 30 HD3 LYS 30 14.749 -1.173 16.346 223 HE2 LYS 30 HE2 LYS 30 16.847 -1.042 14.216 224 HE3 LYS 30 HE3 LYS 30 17.264 -1.586 15.841 225 HZ1 LYS 30 HZ1 LYS 30 16.475 -3.571 15.323 226 HZ2 LYS 30 HZ2 LYS 30 16.028 -3.036 13.782 227 HZ3 LYS 30 HZ3 LYS 30 14.937 -2.915 15.068 228 H GLY 31 H GLY 31 12.083 1.355 13.943 229 HA2 GLY 31 HA2 GLY 31 11.752 3.784 15.567 230 HA3 GLY 31 HA3 GLY 31 10.498 3.354 14.413 Start of MODEL 9 1 H1 GLY 1 H GLY 1 2.129 0.274 2.985 2 HA2 GLY 1 HA2 GLY 1 4.089 -1.080 2.836 3 HA3 GLY 1 HA3 GLY 1 3.208 -1.394 1.348 4 H TYR 2 H TYR 2 3.661 0.761 -0.186 5 HA TYR 2 HA TYR 2 6.466 0.447 -0.832 6 HB2 TYR 2 HB2 TYR 2 4.362 0.566 -2.438 7 HB3 TYR 2 HB3 TYR 2 4.680 2.295 -2.352 8 HD1 TYR 2 HD1 TYR 2 6.519 -0.908 -2.937 9 HD2 TYR 2 HD2 TYR 2 6.102 3.210 -3.923 10 HE1 TYR 2 HE1 TYR 2 8.260 -1.150 -4.658 11 HE2 TYR 2 HE2 TYR 2 7.840 2.979 -5.647 12 HH TYR 2 HH TYR 2 9.173 1.574 -6.742 13 H CYS 3 H CYS 3 6.511 1.670 1.497 14 HA CYS 3 HA CYS 3 6.705 4.556 1.020 15 HB2 CYS 3 HB2 CYS 3 7.206 3.424 3.721 16 HB3 CYS 3 HB3 CYS 3 6.342 4.886 3.255 17 H ALA 4 H ALA 4 8.564 5.357 2.793 18 HA ALA 4 HA ALA 4 11.023 4.437 1.545 19 HB1 ALA 4 HB1 ALA 4 10.932 6.761 1.621 20 HB2 ALA 4 HB2 ALA 4 10.307 6.780 3.270 21 HB3 ALA 4 HB3 ALA 4 11.990 6.348 2.971 22 H THR 5 H THR 5 11.952 2.693 2.399 23 HA THR 5 HA THR 5 11.670 2.053 5.206 24 HB THR 5 HB THR 5 13.292 0.137 4.493 25 HG1 THR 5 HG1 THR 5 12.255 0.758 1.930 26 HG21 THR 5 HG21 THR 5 11.364 -0.963 4.682 27 HG22 THR 5 HG22 THR 5 10.994 -0.557 3.006 28 HG23 THR 5 HG23 THR 5 10.459 0.504 4.309 29 H LYS 6 H LYS 6 13.783 1.187 6.283 30 HA LYS 6 HA LYS 6 15.385 3.287 6.992 31 HB2 LYS 6 HB2 LYS 6 15.707 0.329 7.104 32 HB3 LYS 6 HB3 LYS 6 17.125 1.315 7.435 33 HG2 LYS 6 HG2 LYS 6 15.483 2.568 9.054 34 HG3 LYS 6 HG3 LYS 6 14.601 1.040 8.982 35 HD2 LYS 6 HD2 LYS 6 16.030 0.789 10.816 36 HD3 LYS 6 HD3 LYS 6 16.856 -0.063 9.509 37 HE2 LYS 6 HE2 LYS 6 17.537 2.774 9.687 38 HE3 LYS 6 HE3 LYS 6 17.971 1.851 11.124 39 HZ1 LYS 6 HZ1 LYS 6 19.669 0.950 10.051 40 HZ2 LYS 6 HZ2 LYS 6 19.362 1.982 8.746 41 HZ3 LYS 6 HZ3 LYS 6 18.683 0.433 8.777 42 H GLY 7 H GLY 7 17.127 4.319 6.194 43 HA2 GLY 7 HA2 GLY 7 19.120 4.515 4.938 44 HA3 GLY 7 HA3 GLY 7 18.647 3.098 4.012 45 H ILE 8 H ILE 8 15.886 4.347 3.744 46 HA ILE 8 HA ILE 8 16.482 5.775 1.296 47 HB ILE 8 HB ILE 8 13.762 5.220 2.474 48 HG12 ILE 8 HG12 ILE 8 15.060 3.128 2.226 49 HG13 ILE 8 HG13 ILE 8 13.701 3.203 1.110 50 HG21 ILE 8 HG21 ILE 8 13.767 6.893 0.724 51 HG22 ILE 8 HG22 ILE 8 14.680 5.819 -0.334 52 HG23 ILE 8 HG23 ILE 8 13.030 5.405 0.130 53 HD11 ILE 8 HD11 ILE 8 15.251 3.901 -0.673 54 HD12 ILE 8 HD12 ILE 8 16.592 3.710 0.457 55 HD13 ILE 8 HD13 ILE 8 15.626 2.310 -0.010 56 H LYS 9 H LYS 9 16.364 7.913 0.986 57 HA LYS 9 HA LYS 9 16.403 9.749 3.041 58 HB2 LYS 9 HB2 LYS 9 15.550 10.152 0.170 59 HB3 LYS 9 HB3 LYS 9 15.897 11.461 1.293 60 HG2 LYS 9 HG2 LYS 9 18.005 9.423 0.991 61 HG3 LYS 9 HG3 LYS 9 17.698 10.446 -0.414 62 HD2 LYS 9 HD2 LYS 9 17.741 12.061 1.949 63 HD3 LYS 9 HD3 LYS 9 19.197 11.065 1.894 64 HE2 LYS 9 HE2 LYS 9 19.966 12.055 -0.018 65 HE3 LYS 9 HE3 LYS 9 18.347 12.436 -0.602 66 HZ1 LYS 9 HZ1 LYS 9 19.107 13.815 1.819 67 HZ2 LYS 9 HZ2 LYS 9 18.356 14.409 0.425 68 HZ3 LYS 9 HZ3 LYS 9 20.037 14.223 0.467 69 H CYS 10 H CYS 10 14.924 11.008 4.090 70 HA CYS 10 HA CYS 10 12.086 10.437 3.536 71 HB2 CYS 10 HB2 CYS 10 11.603 10.348 5.810 72 HB3 CYS 10 HB3 CYS 10 13.176 9.561 5.732 73 H ASN 11 H ASN 11 14.166 12.681 2.885 74 HA ASN 11 HA ASN 11 13.299 15.046 4.118 75 HB2 ASN 11 HB2 ASN 11 14.592 16.185 2.545 76 HB3 ASN 11 HB3 ASN 11 15.364 14.603 2.602 77 HD21 ASN 11 HD21 ASN 11 13.921 16.932 0.652 78 HD22 ASN 11 HD22 ASN 11 13.835 16.018 -0.811 79 H ASP 12 H ASP 12 12.044 13.235 1.401 80 HA ASP 12 HA ASP 12 9.849 15.190 1.178 81 HB2 ASP 12 HB2 ASP 12 11.343 15.083 -0.832 82 HB3 ASP 12 HB3 ASP 12 10.868 13.398 -1.034 83 H ILE 13 H ILE 13 10.564 11.793 0.340 84 HA ILE 13 HA ILE 13 7.830 11.007 0.651 85 HB ILE 13 HB ILE 13 9.362 9.864 -0.916 86 HG12 ILE 13 HG12 ILE 13 8.399 7.939 1.201 87 HG13 ILE 13 HG13 ILE 13 7.304 8.780 0.110 88 HG21 ILE 13 HG21 ILE 13 10.645 8.735 1.568 89 HG22 ILE 13 HG22 ILE 13 11.038 8.316 -0.098 90 HG23 ILE 13 HG23 ILE 13 11.370 9.940 0.503 91 HD11 ILE 13 HD11 ILE 13 9.203 7.664 -1.564 92 HD12 ILE 13 HD12 ILE 13 8.913 6.430 -0.338 93 HD13 ILE 13 HD13 ILE 13 7.566 7.074 -1.275 94 H HIS 14 H HIS 14 6.909 9.733 2.257 95 HA HIS 14 HA HIS 14 8.232 9.928 4.856 96 HB2 HIS 14 HB2 HIS 14 5.741 10.600 4.250 97 HB3 HIS 14 HB3 HIS 14 5.448 8.890 4.552 98 HD1 HIS 14 HD1 HIS 14 6.790 11.963 6.308 99 HD2 HIS 14 HD2 HIS 14 5.255 8.205 7.192 100 HE1 HIS 14 HE1 HIS 14 6.499 11.926 8.806 101 H CYS 15 H CYS 15 8.191 8.114 6.337 102 HA CYS 15 HA CYS 15 8.767 5.620 4.951 103 HB2 CYS 15 HB2 CYS 15 9.000 5.928 7.917 104 HB3 CYS 15 HB3 CYS 15 9.999 4.993 6.809 105 H CYS 16 H CYS 16 7.887 3.592 5.638 106 HA CYS 16 HA CYS 16 5.089 3.626 5.960 107 HB2 CYS 16 HB2 CYS 16 7.205 1.554 5.840 108 HB3 CYS 16 HB3 CYS 16 5.698 1.081 6.617 109 H SER 17 H SER 17 3.808 2.807 7.700 110 HA SER 17 HA SER 17 4.299 3.924 10.169 111 HB2 SER 17 HB2 SER 17 2.551 1.598 9.371 112 HB3 SER 17 HB3 SER 17 2.580 2.226 11.018 113 HG SER 17 HG SER 17 1.395 3.248 8.783 114 H GLY 18 H GLY 18 5.953 3.550 11.489 115 HA2 GLY 18 HA2 GLY 18 6.587 1.759 13.186 116 HA3 GLY 18 HA3 GLY 18 6.923 0.777 11.767 117 H LEU 19 H LEU 19 7.877 3.402 10.465 118 HA LEU 19 HA LEU 19 10.573 3.312 11.642 119 HB2 LEU 19 HB2 LEU 19 9.674 3.932 8.835 120 HB3 LEU 19 HB3 LEU 19 11.330 4.125 9.405 121 HG LEU 19 HG LEU 19 9.858 1.494 9.382 122 HD11 LEU 19 HD11 LEU 19 11.835 2.581 7.383 123 HD12 LEU 19 HD12 LEU 19 10.111 2.342 7.104 124 HD13 LEU 19 HD13 LEU 19 11.158 0.953 7.396 125 HD21 LEU 19 HD21 LEU 19 11.866 0.503 9.969 126 HD22 LEU 19 HD22 LEU 19 11.871 1.977 10.939 127 HD23 LEU 19 HD23 LEU 19 12.822 1.894 9.455 128 H LYS 20 H LYS 20 11.810 5.285 11.670 129 HA LYS 20 HA LYS 20 10.095 7.650 12.009 130 HB2 LYS 20 HB2 LYS 20 12.858 7.160 13.133 131 HB3 LYS 20 HB3 LYS 20 11.803 8.517 13.505 132 HG2 LYS 20 HG2 LYS 20 10.158 6.847 14.419 133 HG3 LYS 20 HG3 LYS 20 11.428 5.632 14.256 134 HD2 LYS 20 HD2 LYS 20 12.511 6.368 16.074 135 HD3 LYS 20 HD3 LYS 20 12.319 8.060 15.609 136 HE2 LYS 20 HE2 LYS 20 11.187 7.573 17.723 137 HE3 LYS 20 HE3 LYS 20 10.042 8.053 16.471 138 HZ1 LYS 20 HZ1 LYS 20 9.810 5.862 18.023 139 HZ2 LYS 20 HZ2 LYS 20 10.492 5.212 16.619 140 HZ3 LYS 20 HZ3 LYS 20 9.039 6.074 16.531 141 H CYS 21 H CYS 21 10.702 9.641 11.143 142 HA CYS 21 HA CYS 21 12.467 9.441 8.823 143 HB2 CYS 21 HB2 CYS 21 10.333 10.354 8.289 144 HB3 CYS 21 HB3 CYS 21 10.385 11.460 9.657 145 H ASP 22 H ASP 22 14.515 9.600 9.675 146 HA ASP 22 HA ASP 22 15.342 11.396 11.659 147 HB2 ASP 22 HB2 ASP 22 16.549 9.339 10.527 148 HB3 ASP 22 HB3 ASP 22 17.228 10.586 9.485 149 H SER 23 H SER 23 14.846 13.508 11.449 150 HA SER 23 HA SER 23 14.988 14.908 8.963 151 HB2 SER 23 HB2 SER 23 14.504 15.727 11.815 152 HB3 SER 23 HB3 SER 23 14.733 16.943 10.559 153 HG SER 23 HG SER 23 12.530 15.598 11.143 154 H LYS 24 H LYS 24 17.296 13.989 11.240 155 HA LYS 24 HA LYS 24 19.083 16.227 10.805 156 HB2 LYS 24 HB2 LYS 24 19.584 13.600 12.215 157 HB3 LYS 24 HB3 LYS 24 20.625 15.016 12.264 158 HG2 LYS 24 HG2 LYS 24 17.958 15.719 13.060 159 HG3 LYS 24 HG3 LYS 24 18.551 14.359 14.016 160 HD2 LYS 24 HD2 LYS 24 20.119 15.609 15.053 161 HD3 LYS 24 HD3 LYS 24 20.478 16.547 13.602 162 HE2 LYS 24 HE2 LYS 24 17.835 17.171 14.459 163 HE3 LYS 24 HE3 LYS 24 18.915 17.292 15.847 164 HZ1 LYS 24 HZ1 LYS 24 20.264 18.849 14.711 165 HZ2 LYS 24 HZ2 LYS 24 18.667 19.368 14.510 166 HZ3 LYS 24 HZ3 LYS 24 19.469 18.591 13.240 167 H ARG 25 H ARG 25 18.880 12.812 9.889 168 HA ARG 25 HA ARG 25 21.166 13.175 8.088 169 HB2 ARG 25 HB2 ARG 25 19.760 10.585 8.733 170 HB3 ARG 25 HB3 ARG 25 21.348 10.798 8.009 171 HG2 ARG 25 HG2 ARG 25 22.001 11.931 10.203 172 HG3 ARG 25 HG3 ARG 25 20.516 11.232 10.853 173 HD2 ARG 25 HD2 ARG 25 21.318 8.998 10.106 174 HD3 ARG 25 HD3 ARG 25 22.842 9.750 9.636 175 HE ARG 25 HE ARG 25 22.473 10.453 12.261 176 HH11 ARG 25 HH11 ARG 25 22.690 7.469 10.480 177 HH12 ARG 25 HH12 ARG 25 23.368 6.578 11.802 178 HH21 ARG 25 HH21 ARG 25 23.365 9.290 14.009 179 HH22 ARG 25 HH22 ARG 25 23.751 7.615 13.809 180 H LYS 26 H LYS 26 17.964 13.612 7.951 181 HA LYS 26 HA LYS 26 16.369 13.605 6.324 182 HB2 LYS 26 HB2 LYS 26 18.864 13.771 4.628 183 HB3 LYS 26 HB3 LYS 26 17.238 13.995 3.996 184 HG2 LYS 26 HG2 LYS 26 16.939 15.884 5.570 185 HG3 LYS 26 HG3 LYS 26 18.624 15.695 6.058 186 HD2 LYS 26 HD2 LYS 26 19.191 15.954 3.583 187 HD3 LYS 26 HD3 LYS 26 17.530 16.518 3.381 188 HE2 LYS 26 HE2 LYS 26 18.955 17.796 5.592 189 HE3 LYS 26 HE3 LYS 26 19.685 18.089 4.015 190 HZ1 LYS 26 HZ1 LYS 26 17.099 18.494 3.482 191 HZ2 LYS 26 HZ2 LYS 26 18.173 19.723 3.921 192 HZ3 LYS 26 HZ3 LYS 26 17.165 19.026 5.086 193 H VAL 27 H VAL 27 16.898 11.075 7.298 194 HA VAL 27 HA VAL 27 16.120 9.458 5.013 195 HB VAL 27 HB VAL 27 17.726 7.634 5.675 196 HG11 VAL 27 HG11 VAL 27 18.857 10.212 4.595 197 HG12 VAL 27 HG12 VAL 27 19.638 8.635 4.466 198 HG13 VAL 27 HG13 VAL 27 18.091 8.922 3.668 199 HG21 VAL 27 HG21 VAL 27 19.536 9.651 6.859 200 HG22 VAL 27 HG22 VAL 27 18.215 9.076 7.877 201 HG23 VAL 27 HG23 VAL 27 19.375 7.929 7.204 202 H CYS 28 H CYS 28 15.406 7.258 5.702 203 HA CYS 28 HA CYS 28 13.837 7.492 8.126 204 HB2 CYS 28 HB2 CYS 28 13.939 5.327 6.016 205 HB3 CYS 28 HB3 CYS 28 12.809 5.362 7.365 206 H VAL 29 H VAL 29 14.042 6.277 9.953 207 HA VAL 29 HA VAL 29 16.278 4.362 10.056 208 HB VAL 29 HB VAL 29 16.629 5.138 12.445 209 HG11 VAL 29 HG11 VAL 29 17.892 5.826 10.225 210 HG12 VAL 29 HG12 VAL 29 17.257 7.418 10.646 211 HG13 VAL 29 HG13 VAL 29 18.293 6.552 11.781 212 HG21 VAL 29 HG21 VAL 29 15.384 6.757 13.326 213 HG22 VAL 29 HG22 VAL 29 15.704 7.823 11.958 214 HG23 VAL 29 HG23 VAL 29 14.365 6.677 11.888 215 H LYS 30 H LYS 30 16.144 2.986 12.097 216 HA LYS 30 HA LYS 30 13.739 1.546 12.086 217 HB2 LYS 30 HB2 LYS 30 16.151 0.885 12.868 218 HB3 LYS 30 HB3 LYS 30 15.596 1.457 14.436 219 HG2 LYS 30 HG2 LYS 30 13.679 -0.327 13.203 220 HG3 LYS 30 HG3 LYS 30 15.266 -1.079 13.388 221 HD2 LYS 30 HD2 LYS 30 15.228 -0.258 15.782 222 HD3 LYS 30 HD3 LYS 30 13.528 0.140 15.523 223 HE2 LYS 30 HE2 LYS 30 13.144 -1.956 16.219 224 HE3 LYS 30 HE3 LYS 30 13.644 -2.418 14.593 225 HZ1 LYS 30 HZ1 LYS 30 14.885 -3.735 16.074 226 HZ2 LYS 30 HZ2 LYS 30 15.278 -2.421 17.063 227 HZ3 LYS 30 HZ3 LYS 30 15.960 -2.552 15.521 228 H GLY 31 H GLY 31 12.048 1.387 13.563 229 HA2 GLY 31 HA2 GLY 31 11.949 3.207 15.826 230 HA3 GLY 31 HA3 GLY 31 10.812 3.555 14.531 Start of MODEL 10 1 H1 GLY 1 H GLY 1 3.549 -1.671 2.236 2 HA2 GLY 1 HA2 GLY 1 2.208 -0.114 1.182 3 HA3 GLY 1 HA3 GLY 1 2.784 0.923 2.479 4 H TYR 2 H TYR 2 5.021 -0.327 0.141 5 HA TYR 2 HA TYR 2 6.407 0.730 -1.326 6 HB2 TYR 2 HB2 TYR 2 4.181 0.715 -2.546 7 HB3 TYR 2 HB3 TYR 2 3.989 2.390 -2.041 8 HD1 TYR 2 HD1 TYR 2 4.656 4.030 -3.517 9 HD2 TYR 2 HD2 TYR 2 6.531 0.216 -3.714 10 HE1 TYR 2 HE1 TYR 2 5.948 4.773 -5.473 11 HE2 TYR 2 HE2 TYR 2 7.830 0.949 -5.670 12 HH TYR 2 HH TYR 2 7.821 2.576 -7.380 13 H CYS 3 H CYS 3 6.444 1.781 1.295 14 HA CYS 3 HA CYS 3 6.689 4.676 0.908 15 HB2 CYS 3 HB2 CYS 3 7.175 3.451 3.571 16 HB3 CYS 3 HB3 CYS 3 6.337 4.943 3.153 17 H ALA 4 H ALA 4 8.564 5.361 2.737 18 HA ALA 4 HA ALA 4 11.006 4.422 1.455 19 HB1 ALA 4 HB1 ALA 4 12.011 6.305 2.893 20 HB2 ALA 4 HB2 ALA 4 10.967 6.746 1.542 21 HB3 ALA 4 HB3 ALA 4 10.336 6.771 3.189 22 H THR 5 H THR 5 11.939 2.680 2.303 23 HA THR 5 HA THR 5 11.615 2.004 5.096 24 HB THR 5 HB THR 5 13.238 0.092 4.387 25 HG1 THR 5 HG1 THR 5 13.590 1.365 2.301 26 HG21 THR 5 HG21 THR 5 10.413 0.472 4.154 27 HG22 THR 5 HG22 THR 5 11.306 -1.008 4.509 28 HG23 THR 5 HG23 THR 5 10.966 -0.561 2.837 29 H LYS 6 H LYS 6 13.703 1.129 6.201 30 HA LYS 6 HA LYS 6 15.300 3.215 6.958 31 HB2 LYS 6 HB2 LYS 6 15.120 0.901 8.002 32 HB3 LYS 6 HB3 LYS 6 16.313 0.377 6.821 33 HG2 LYS 6 HG2 LYS 6 17.491 2.601 7.899 34 HG3 LYS 6 HG3 LYS 6 16.654 1.895 9.284 35 HD2 LYS 6 HD2 LYS 6 17.718 -0.291 8.720 36 HD3 LYS 6 HD3 LYS 6 18.658 0.544 7.480 37 HE2 LYS 6 HE2 LYS 6 20.055 1.454 8.984 38 HE3 LYS 6 HE3 LYS 6 18.756 1.804 10.123 39 HZ1 LYS 6 HZ1 LYS 6 20.631 -0.267 10.224 40 HZ2 LYS 6 HZ2 LYS 6 19.108 -0.970 10.010 41 HZ3 LYS 6 HZ3 LYS 6 19.384 0.068 11.317 42 H GLY 7 H GLY 7 17.080 4.236 6.220 43 HA2 GLY 7 HA2 GLY 7 19.082 4.451 4.992 44 HA3 GLY 7 HA3 GLY 7 18.626 3.044 4.043 45 H ILE 8 H ILE 8 15.871 4.293 3.735 46 HA ILE 8 HA ILE 8 16.512 5.749 1.315 47 HB ILE 8 HB ILE 8 13.769 5.180 2.434 48 HG12 ILE 8 HG12 ILE 8 15.074 3.091 2.194 49 HG13 ILE 8 HG13 ILE 8 13.737 3.174 1.051 50 HG21 ILE 8 HG21 ILE 8 13.687 6.830 0.726 51 HG22 ILE 8 HG22 ILE 8 14.789 5.914 -0.300 52 HG23 ILE 8 HG23 ILE 8 13.160 5.312 0.001 53 HD11 ILE 8 HD11 ILE 8 16.478 2.746 0.530 54 HD12 ILE 8 HD12 ILE 8 15.141 2.835 -0.617 55 HD13 ILE 8 HD13 ILE 8 16.031 4.295 -0.184 56 H LYS 9 H LYS 9 16.378 7.889 1.017 57 HA LYS 9 HA LYS 9 16.387 9.707 3.090 58 HB2 LYS 9 HB2 LYS 9 15.484 10.207 0.247 59 HB3 LYS 9 HB3 LYS 9 15.995 11.440 1.393 60 HG2 LYS 9 HG2 LYS 9 17.983 9.356 1.082 61 HG3 LYS 9 HG3 LYS 9 17.588 10.141 -0.449 62 HD2 LYS 9 HD2 LYS 9 18.052 12.319 0.520 63 HD3 LYS 9 HD3 LYS 9 18.366 11.576 2.090 64 HE2 LYS 9 HE2 LYS 9 20.093 10.175 0.615 65 HE3 LYS 9 HE3 LYS 9 20.037 11.645 -0.357 66 HZ1 LYS 9 HZ1 LYS 9 21.794 11.635 1.369 67 HZ2 LYS 9 HZ2 LYS 9 20.591 11.610 2.558 68 HZ3 LYS 9 HZ3 LYS 9 20.718 12.933 1.511 69 H CYS 10 H CYS 10 14.891 10.964 4.123 70 HA CYS 10 HA CYS 10 12.062 10.376 3.542 71 HB2 CYS 10 HB2 CYS 10 11.559 10.268 5.810 72 HB3 CYS 10 HB3 CYS 10 13.141 9.499 5.746 73 H ASN 11 H ASN 11 14.146 12.637 2.937 74 HA ASN 11 HA ASN 11 13.205 14.986 4.169 75 HB2 ASN 11 HB2 ASN 11 14.358 16.175 2.352 76 HB3 ASN 11 HB3 ASN 11 15.361 14.883 3.006 77 HD21 ASN 11 HD21 ASN 11 14.929 16.331 0.296 78 HD22 ASN 11 HD22 ASN 11 14.960 15.028 -0.838 79 H ASP 12 H ASP 12 12.134 13.204 1.350 80 HA ASP 12 HA ASP 12 9.955 15.159 0.999 81 HB2 ASP 12 HB2 ASP 12 9.863 13.981 -1.356 82 HB3 ASP 12 HB3 ASP 12 11.024 15.269 -1.043 83 H ILE 13 H ILE 13 10.628 11.734 0.248 84 HA ILE 13 HA ILE 13 7.866 11.018 0.518 85 HB ILE 13 HB ILE 13 9.366 9.833 -1.038 86 HG12 ILE 13 HG12 ILE 13 8.499 7.824 1.017 87 HG13 ILE 13 HG13 ILE 13 7.299 8.802 0.179 88 HG21 ILE 13 HG21 ILE 13 10.650 8.718 1.452 89 HG22 ILE 13 HG22 ILE 13 11.014 8.250 -0.208 90 HG23 ILE 13 HG23 ILE 13 11.386 9.881 0.350 91 HD11 ILE 13 HD11 ILE 13 7.320 7.084 -1.262 92 HD12 ILE 13 HD12 ILE 13 8.732 7.914 -1.915 93 HD13 ILE 13 HD13 ILE 13 8.940 6.568 -0.794 94 H HIS 14 H HIS 14 6.916 9.717 2.102 95 HA HIS 14 HA HIS 14 8.195 9.917 4.722 96 HB2 HIS 14 HB2 HIS 14 5.712 10.579 4.073 97 HB3 HIS 14 HB3 HIS 14 5.420 8.869 4.373 98 HD1 HIS 14 HD1 HIS 14 4.161 9.037 6.541 99 HD2 HIS 14 HD2 HIS 14 7.759 11.113 6.614 100 HE1 HIS 14 HE1 HIS 14 4.481 9.744 8.933 101 H CYS 15 H CYS 15 8.151 8.107 6.200 102 HA CYS 15 HA CYS 15 8.746 5.610 4.825 103 HB2 CYS 15 HB2 CYS 15 8.954 5.936 7.792 104 HB3 CYS 15 HB3 CYS 15 9.957 4.987 6.701 105 H CYS 16 H CYS 16 7.857 3.585 5.492 106 HA CYS 16 HA CYS 16 5.054 3.632 5.825 107 HB2 CYS 16 HB2 CYS 16 7.155 1.551 5.629 108 HB3 CYS 16 HB3 CYS 16 5.653 1.067 6.410 109 H SER 17 H SER 17 3.801 2.707 7.556 110 HA SER 17 HA SER 17 4.284 3.785 10.044 111 HB2 SER 17 HB2 SER 17 2.160 2.593 8.995 112 HB3 SER 17 HB3 SER 17 2.769 1.214 9.909 113 HG SER 17 HG SER 17 1.856 3.705 10.842 114 H GLY 18 H GLY 18 5.738 3.371 11.563 115 HA2 GLY 18 HA2 GLY 18 6.519 1.611 13.139 116 HA3 GLY 18 HA3 GLY 18 6.849 0.635 11.714 117 H LEU 19 H LEU 19 7.768 3.251 10.391 118 HA LEU 19 HA LEU 19 10.480 3.182 11.529 119 HB2 LEU 19 HB2 LEU 19 9.519 3.835 8.750 120 HB3 LEU 19 HB3 LEU 19 11.184 4.042 9.290 121 HG LEU 19 HG LEU 19 9.733 1.398 9.227 122 HD11 LEU 19 HD11 LEU 19 11.023 0.902 7.239 123 HD12 LEU 19 HD12 LEU 19 11.752 2.506 7.281 124 HD13 LEU 19 HD13 LEU 19 10.024 2.331 6.971 125 HD21 LEU 19 HD21 LEU 19 11.837 0.413 9.677 126 HD22 LEU 19 HD22 LEU 19 11.637 1.714 10.852 127 HD23 LEU 19 HD23 LEU 19 12.684 1.944 9.450 128 H LYS 20 H LYS 20 11.704 5.165 11.559 129 HA LYS 20 HA LYS 20 9.978 7.518 11.943 130 HB2 LYS 20 HB2 LYS 20 12.494 6.589 13.272 131 HB3 LYS 20 HB3 LYS 20 12.131 8.309 13.228 132 HG2 LYS 20 HG2 LYS 20 9.864 7.680 14.216 133 HG3 LYS 20 HG3 LYS 20 10.589 6.106 14.553 134 HD2 LYS 20 HD2 LYS 20 11.668 6.907 16.329 135 HD3 LYS 20 HD3 LYS 20 12.333 8.247 15.392 136 HE2 LYS 20 HE2 LYS 20 10.569 9.653 15.913 137 HE3 LYS 20 HE3 LYS 20 9.480 8.317 16.283 138 HZ1 LYS 20 HZ1 LYS 20 11.829 8.578 17.980 139 HZ2 LYS 20 HZ2 LYS 20 10.241 8.159 18.385 140 HZ3 LYS 20 HZ3 LYS 20 10.652 9.782 18.147 141 H CYS 21 H CYS 21 10.588 9.519 11.107 142 HA CYS 21 HA CYS 21 12.379 9.354 8.803 143 HB2 CYS 21 HB2 CYS 21 10.245 10.266 8.262 144 HB3 CYS 21 HB3 CYS 21 10.287 11.361 9.641 145 H ASP 22 H ASP 22 14.415 9.499 9.696 146 HA ASP 22 HA ASP 22 15.213 11.280 11.705 147 HB2 ASP 22 HB2 ASP 22 16.434 9.232 10.556 148 HB3 ASP 22 HB3 ASP 22 17.140 10.501 9.560 149 H SER 23 H SER 23 14.722 13.393 11.508 150 HA SER 23 HA SER 23 14.898 14.815 9.035 151 HB2 SER 23 HB2 SER 23 14.508 16.832 10.514 152 HB3 SER 23 HB3 SER 23 13.277 15.573 10.625 153 HG SER 23 HG SER 23 14.651 16.607 12.592 154 H LYS 24 H LYS 24 17.175 13.874 11.335 155 HA LYS 24 HA LYS 24 18.969 16.115 10.944 156 HB2 LYS 24 HB2 LYS 24 19.260 13.499 12.424 157 HB3 LYS 24 HB3 LYS 24 20.539 14.702 12.324 158 HG2 LYS 24 HG2 LYS 24 18.648 16.292 13.240 159 HG3 LYS 24 HG3 LYS 24 17.981 14.768 13.831 160 HD2 LYS 24 HD2 LYS 24 19.449 14.725 15.502 161 HD3 LYS 24 HD3 LYS 24 20.796 14.866 14.370 162 HE2 LYS 24 HE2 LYS 24 21.001 17.099 14.686 163 HE3 LYS 24 HE3 LYS 24 19.267 17.337 14.897 164 HZ1 LYS 24 HZ1 LYS 24 21.247 17.149 16.870 165 HZ2 LYS 24 HZ2 LYS 24 20.205 15.830 17.056 166 HZ3 LYS 24 HZ3 LYS 24 19.587 17.405 17.072 167 H ARG 25 H ARG 25 18.776 12.708 9.994 168 HA ARG 25 HA ARG 25 21.086 13.088 8.225 169 HB2 ARG 25 HB2 ARG 25 19.658 10.550 9.040 170 HB3 ARG 25 HB3 ARG 25 21.092 10.635 8.026 171 HG2 ARG 25 HG2 ARG 25 22.175 11.839 10.025 172 HG3 ARG 25 HG3 ARG 25 20.823 11.186 10.953 173 HD2 ARG 25 HD2 ARG 25 21.741 9.158 11.011 174 HD3 ARG 25 HD3 ARG 25 22.015 9.165 9.270 175 HE ARG 25 HE ARG 25 24.201 9.665 9.676 176 HH11 ARG 25 HH11 ARG 25 22.326 10.524 12.481 177 HH12 ARG 25 HH12 ARG 25 23.709 10.945 13.437 178 HH21 ARG 25 HH21 ARG 25 26.028 10.216 10.924 179 HH22 ARG 25 HH22 ARG 25 25.814 10.770 12.550 180 H LYS 26 H LYS 26 17.885 13.526 8.052 181 HA LYS 26 HA LYS 26 16.311 13.532 6.405 182 HB2 LYS 26 HB2 LYS 26 18.738 13.601 4.603 183 HB3 LYS 26 HB3 LYS 26 17.108 14.097 4.168 184 HG2 LYS 26 HG2 LYS 26 18.819 15.399 6.277 185 HG3 LYS 26 HG3 LYS 26 18.571 16.003 4.637 186 HD2 LYS 26 HD2 LYS 26 16.118 16.090 5.131 187 HD3 LYS 26 HD3 LYS 26 16.501 15.692 6.808 188 HE2 LYS 26 HE2 LYS 26 16.239 18.076 6.603 189 HE3 LYS 26 HE3 LYS 26 17.935 17.707 6.912 190 HZ1 LYS 26 HZ1 LYS 26 16.883 19.188 4.819 191 HZ2 LYS 26 HZ2 LYS 26 17.453 17.752 4.131 192 HZ3 LYS 26 HZ3 LYS 26 18.495 18.725 5.043 193 H VAL 27 H VAL 27 16.830 10.994 7.364 194 HA VAL 27 HA VAL 27 16.080 9.397 5.055 195 HB VAL 27 HB VAL 27 17.678 7.566 5.729 196 HG11 VAL 27 HG11 VAL 27 18.818 10.149 4.668 197 HG12 VAL 27 HG12 VAL 27 19.601 8.572 4.540 198 HG13 VAL 27 HG13 VAL 27 18.061 8.862 3.729 199 HG21 VAL 27 HG21 VAL 27 19.314 7.858 7.271 200 HG22 VAL 27 HG22 VAL 27 19.475 9.582 6.938 201 HG23 VAL 27 HG23 VAL 27 18.146 8.999 7.939 202 H CYS 28 H CYS 28 15.361 7.189 5.717 203 HA CYS 28 HA CYS 28 13.760 7.403 8.123 204 HB2 CYS 28 HB2 CYS 28 13.888 5.230 6.022 205 HB3 CYS 28 HB3 CYS 28 12.716 5.308 7.333 206 H VAL 29 H VAL 29 13.931 6.156 9.936 207 HA VAL 29 HA VAL 29 15.976 4.071 10.039 208 HB VAL 29 HB VAL 29 16.906 4.965 12.146 209 HG11 VAL 29 HG11 VAL 29 18.345 6.577 11.148 210 HG12 VAL 29 HG12 VAL 29 17.921 5.412 9.892 211 HG13 VAL 29 HG13 VAL 29 17.139 6.993 9.932 212 HG21 VAL 29 HG21 VAL 29 16.029 6.701 13.230 213 HG22 VAL 29 HG22 VAL 29 16.030 7.699 11.776 214 HG23 VAL 29 HG23 VAL 29 14.675 6.619 12.102 215 H LYS 30 H LYS 30 15.618 2.499 11.589 216 HA LYS 30 HA LYS 30 12.914 2.265 12.518 217 HB2 LYS 30 HB2 LYS 30 14.311 0.348 11.692 218 HB3 LYS 30 HB3 LYS 30 15.266 0.481 13.163 219 HG2 LYS 30 HG2 LYS 30 12.631 0.348 14.042 220 HG3 LYS 30 HG3 LYS 30 12.732 -0.820 12.722 221 HD2 LYS 30 HD2 LYS 30 14.452 -2.026 13.782 222 HD3 LYS 30 HD3 LYS 30 14.782 -0.716 14.918 223 HE2 LYS 30 HE2 LYS 30 12.076 -1.404 15.256 224 HE3 LYS 30 HE3 LYS 30 12.966 -2.923 15.165 225 HZ1 LYS 30 HZ1 LYS 30 13.932 -2.559 17.132 226 HZ2 LYS 30 HZ2 LYS 30 12.696 -1.434 17.387 227 HZ3 LYS 30 HZ3 LYS 30 14.206 -0.918 16.827 228 H GLY 31 H GLY 31 12.404 3.670 14.124 229 HA2 GLY 31 HA2 GLY 31 14.225 3.979 16.390 230 HA3 GLY 31 HA3 GLY 31 12.783 4.934 16.078 Start of MODEL 11 1 H1 GLY 1 H GLY 1 1.580 2.052 -2.604 2 HA2 GLY 1 HA2 GLY 1 1.734 2.026 0.235 3 HA3 GLY 1 HA3 GLY 1 1.968 0.407 -0.408 4 H TYR 2 H TYR 2 4.095 0.097 -0.008 5 HA TYR 2 HA TYR 2 6.355 0.295 -0.180 6 HB2 TYR 2 HB2 TYR 2 5.909 0.075 -2.562 7 HB3 TYR 2 HB3 TYR 2 5.590 1.801 -2.691 8 HD1 TYR 2 HD1 TYR 2 7.287 3.140 -3.493 9 HD2 TYR 2 HD2 TYR 2 8.306 -0.494 -1.531 10 HE1 TYR 2 HE1 TYR 2 9.661 3.547 -3.987 11 HE2 TYR 2 HE2 TYR 2 10.684 -0.097 -2.018 12 HH TYR 2 HH TYR 2 11.916 1.424 -4.047 13 H CYS 3 H CYS 3 6.692 1.543 1.657 14 HA CYS 3 HA CYS 3 6.796 4.452 1.311 15 HB2 CYS 3 HB2 CYS 3 7.340 3.213 3.956 16 HB3 CYS 3 HB3 CYS 3 6.433 4.670 3.560 17 H ALA 4 H ALA 4 8.635 5.272 3.058 18 HA ALA 4 HA ALA 4 11.117 4.451 1.792 19 HB1 ALA 4 HB1 ALA 4 10.387 6.711 3.633 20 HB2 ALA 4 HB2 ALA 4 12.056 6.362 3.180 21 HB3 ALA 4 HB3 ALA 4 10.876 6.786 1.940 22 H THR 5 H THR 5 12.063 2.691 2.604 23 HA THR 5 HA THR 5 11.827 1.997 5.400 24 HB THR 5 HB THR 5 13.476 0.127 4.646 25 HG1 THR 5 HG1 THR 5 14.125 0.881 2.668 26 HG21 THR 5 HG21 THR 5 11.569 -1.012 4.799 27 HG22 THR 5 HG22 THR 5 11.197 -0.573 3.132 28 HG23 THR 5 HG23 THR 5 10.639 0.446 4.458 29 H LYS 6 H LYS 6 13.907 1.233 6.522 30 HA LYS 6 HA LYS 6 15.494 3.361 7.182 31 HB2 LYS 6 HB2 LYS 6 15.440 1.334 8.514 32 HB3 LYS 6 HB3 LYS 6 16.218 0.427 7.224 33 HG2 LYS 6 HG2 LYS 6 18.278 1.459 7.575 34 HG3 LYS 6 HG3 LYS 6 17.558 2.789 8.486 35 HD2 LYS 6 HD2 LYS 6 17.221 1.458 10.383 36 HD3 LYS 6 HD3 LYS 6 17.415 -0.043 9.473 37 HE2 LYS 6 HE2 LYS 6 19.796 0.561 9.099 38 HE3 LYS 6 HE3 LYS 6 19.565 1.963 10.143 39 HZ1 LYS 6 HZ1 LYS 6 18.721 -0.545 11.298 40 HZ2 LYS 6 HZ2 LYS 6 19.635 0.706 11.976 41 HZ3 LYS 6 HZ3 LYS 6 20.382 -0.448 10.990 42 H GLY 7 H GLY 7 17.290 4.339 6.411 43 HA2 GLY 7 HA2 GLY 7 19.263 4.547 5.157 44 HA3 GLY 7 HA3 GLY 7 18.861 3.057 4.317 45 H ILE 8 H ILE 8 16.053 4.365 4.022 46 HA ILE 8 HA ILE 8 16.660 5.566 1.444 47 HB ILE 8 HB ILE 8 13.947 5.041 2.657 48 HG12 ILE 8 HG12 ILE 8 15.299 2.969 2.470 49 HG13 ILE 8 HG13 ILE 8 13.910 2.969 1.388 50 HG21 ILE 8 HG21 ILE 8 13.886 6.641 0.851 51 HG22 ILE 8 HG22 ILE 8 14.837 5.567 -0.174 52 HG23 ILE 8 HG23 ILE 8 13.202 5.110 0.303 53 HD11 ILE 8 HD11 ILE 8 16.540 2.432 0.722 54 HD12 ILE 8 HD12 ILE 8 15.206 2.730 -0.393 55 HD13 ILE 8 HD13 ILE 8 16.255 4.058 0.103 56 H LYS 9 H LYS 9 16.798 7.681 1.140 57 HA LYS 9 HA LYS 9 16.527 9.592 3.141 58 HB2 LYS 9 HB2 LYS 9 16.287 10.036 0.160 59 HB3 LYS 9 HB3 LYS 9 16.674 11.260 1.362 60 HG2 LYS 9 HG2 LYS 9 18.460 8.951 1.422 61 HG3 LYS 9 HG3 LYS 9 18.488 9.842 -0.101 62 HD2 LYS 9 HD2 LYS 9 18.499 11.601 2.213 63 HD3 LYS 9 HD3 LYS 9 19.870 10.489 2.207 64 HE2 LYS 9 HE2 LYS 9 20.846 11.534 0.484 65 HE3 LYS 9 HE3 LYS 9 19.330 11.668 -0.405 66 HZ1 LYS 9 HZ1 LYS 9 20.103 13.438 1.849 67 HZ2 LYS 9 HZ2 LYS 9 18.754 13.608 0.844 68 HZ3 LYS 9 HZ3 LYS 9 20.309 13.831 0.217 69 H CYS 10 H CYS 10 14.917 10.933 3.810 70 HA CYS 10 HA CYS 10 12.264 10.532 2.588 71 HB2 CYS 10 HB2 CYS 10 11.310 10.934 4.849 72 HB3 CYS 10 HB3 CYS 10 12.305 9.484 4.769 73 H ASN 11 H ASN 11 13.614 12.455 1.431 74 HA ASN 11 HA ASN 11 13.356 14.991 2.767 75 HB2 ASN 11 HB2 ASN 11 14.354 14.051 0.122 76 HB3 ASN 11 HB3 ASN 11 13.850 15.734 0.253 77 HD21 ASN 11 HD21 ASN 11 16.384 15.343 -0.354 78 HD22 ASN 11 HD22 ASN 11 17.422 15.653 0.992 79 H ASP 12 H ASP 12 11.417 13.033 0.689 80 HA ASP 12 HA ASP 12 9.250 14.957 0.885 81 HB2 ASP 12 HB2 ASP 12 8.757 14.840 -1.545 82 HB3 ASP 12 HB3 ASP 12 10.290 15.635 -1.199 83 H ILE 13 H ILE 13 10.080 12.126 1.682 84 HA ILE 13 HA ILE 13 7.505 10.902 1.017 85 HB ILE 13 HB ILE 13 9.226 9.982 -0.541 86 HG12 ILE 13 HG12 ILE 13 8.658 7.597 1.026 87 HG13 ILE 13 HG13 ILE 13 7.259 8.661 0.923 88 HG21 ILE 13 HG21 ILE 13 10.939 8.491 0.319 89 HG22 ILE 13 HG22 ILE 13 11.136 10.108 0.993 90 HG23 ILE 13 HG23 ILE 13 10.425 8.826 1.972 91 HD11 ILE 13 HD11 ILE 13 7.015 7.250 -0.895 92 HD12 ILE 13 HD12 ILE 13 7.742 8.695 -1.599 93 HD13 ILE 13 HD13 ILE 13 8.738 7.277 -1.273 94 H HIS 14 H HIS 14 6.655 9.588 2.602 95 HA HIS 14 HA HIS 14 7.965 9.783 5.207 96 HB2 HIS 14 HB2 HIS 14 5.442 10.339 4.613 97 HB3 HIS 14 HB3 HIS 14 5.240 8.609 4.873 98 HD1 HIS 14 HD1 HIS 14 7.202 11.236 6.817 99 HD2 HIS 14 HD2 HIS 14 4.295 8.322 7.382 100 HE1 HIS 14 HE1 HIS 14 6.714 11.243 9.284 101 H CYS 15 H CYS 15 8.059 7.940 6.630 102 HA CYS 15 HA CYS 15 8.732 5.509 5.177 103 HB2 CYS 15 HB2 CYS 15 9.011 5.777 8.145 104 HB3 CYS 15 HB3 CYS 15 10.025 4.900 7.004 105 H CYS 16 H CYS 16 7.972 3.424 5.840 106 HA CYS 16 HA CYS 16 5.182 3.307 6.213 107 HB2 CYS 16 HB2 CYS 16 7.400 1.348 6.017 108 HB3 CYS 16 HB3 CYS 16 5.930 0.784 6.805 109 H SER 17 H SER 17 3.989 2.353 7.959 110 HA SER 17 HA SER 17 4.437 3.460 10.437 111 HB2 SER 17 HB2 SER 17 2.369 2.155 9.410 112 HB3 SER 17 HB3 SER 17 3.054 0.814 10.329 113 HG SER 17 HG SER 17 2.941 2.143 12.191 114 H GLY 18 H GLY 18 6.001 3.158 11.870 115 HA2 GLY 18 HA2 GLY 18 6.880 1.473 13.484 116 HA3 GLY 18 HA3 GLY 18 7.193 0.461 12.082 117 H LEU 19 H LEU 19 7.930 3.206 10.760 118 HA LEU 19 HA LEU 19 10.696 3.216 11.775 119 HB2 LEU 19 HB2 LEU 19 9.622 3.671 9.001 120 HB3 LEU 19 HB3 LEU 19 11.277 4.056 9.470 121 HG LEU 19 HG LEU 19 10.058 1.297 9.573 122 HD11 LEU 19 HD11 LEU 19 12.002 2.429 7.568 123 HD12 LEU 19 HD12 LEU 19 10.280 2.190 7.273 124 HD13 LEU 19 HD13 LEU 19 11.321 0.803 7.591 125 HD21 LEU 19 HD21 LEU 19 11.897 1.750 11.178 126 HD22 LEU 19 HD22 LEU 19 12.934 2.174 9.815 127 HD23 LEU 19 HD23 LEU 19 12.303 0.533 9.967 128 H LYS 20 H LYS 20 11.856 5.267 11.580 129 HA LYS 20 HA LYS 20 10.051 7.587 11.800 130 HB2 LYS 20 HB2 LYS 20 11.794 8.525 13.380 131 HB3 LYS 20 HB3 LYS 20 10.854 7.170 13.992 132 HG2 LYS 20 HG2 LYS 20 12.635 5.729 13.940 133 HG3 LYS 20 HG3 LYS 20 13.467 6.630 12.671 134 HD2 LYS 20 HD2 LYS 20 14.391 8.114 14.141 135 HD3 LYS 20 HD3 LYS 20 13.051 7.982 15.283 136 HE2 LYS 20 HE2 LYS 20 14.314 5.447 15.122 137 HE3 LYS 20 HE3 LYS 20 15.573 6.664 15.329 138 HZ1 LYS 20 HZ1 LYS 20 13.161 6.495 17.047 139 HZ2 LYS 20 HZ2 LYS 20 14.536 7.447 17.299 140 HZ3 LYS 20 HZ3 LYS 20 14.637 5.764 17.434 141 H CYS 21 H CYS 21 10.511 9.322 10.581 142 HA CYS 21 HA CYS 21 12.683 9.126 8.683 143 HB2 CYS 21 HB2 CYS 21 10.635 9.906 7.771 144 HB3 CYS 21 HB3 CYS 21 10.422 11.084 9.062 145 H ASP 22 H ASP 22 14.595 9.458 9.747 146 HA ASP 22 HA ASP 22 15.095 11.363 11.726 147 HB2 ASP 22 HB2 ASP 22 16.543 9.362 10.772 148 HB3 ASP 22 HB3 ASP 22 17.260 10.643 9.800 149 H SER 23 H SER 23 14.602 13.453 11.461 150 HA SER 23 HA SER 23 14.802 14.810 8.960 151 HB2 SER 23 HB2 SER 23 14.244 16.835 10.283 152 HB3 SER 23 HB3 SER 23 13.142 15.497 10.608 153 HG SER 23 HG SER 23 14.448 16.849 12.377 154 H LYS 24 H LYS 24 17.068 13.983 11.309 155 HA LYS 24 HA LYS 24 18.807 16.262 10.916 156 HB2 LYS 24 HB2 LYS 24 19.264 13.641 12.353 157 HB3 LYS 24 HB3 LYS 24 20.377 15.002 12.360 158 HG2 LYS 24 HG2 LYS 24 17.910 16.049 13.155 159 HG3 LYS 24 HG3 LYS 24 18.079 14.513 14.008 160 HD2 LYS 24 HD2 LYS 24 20.286 15.210 14.815 161 HD3 LYS 24 HD3 LYS 24 20.108 16.748 13.967 162 HE2 LYS 24 HE2 LYS 24 19.530 17.183 16.210 163 HE3 LYS 24 HE3 LYS 24 18.003 17.097 15.332 164 HZ1 LYS 24 HZ1 LYS 24 19.129 14.754 16.743 165 HZ2 LYS 24 HZ2 LYS 24 17.542 14.995 16.211 166 HZ3 LYS 24 HZ3 LYS 24 18.135 15.875 17.528 167 H ARG 25 H ARG 25 18.758 12.833 10.011 168 HA ARG 25 HA ARG 25 21.037 13.300 8.223 169 HB2 ARG 25 HB2 ARG 25 19.764 10.735 9.191 170 HB3 ARG 25 HB3 ARG 25 21.097 10.811 8.047 171 HG2 ARG 25 HG2 ARG 25 21.555 12.291 10.531 172 HG3 ARG 25 HG3 ARG 25 21.359 10.549 10.736 173 HD2 ARG 25 HD2 ARG 25 23.281 11.879 8.829 174 HD3 ARG 25 HD3 ARG 25 23.710 11.203 10.400 175 HE ARG 25 HE ARG 25 23.303 9.767 7.966 176 HH11 ARG 25 HH11 ARG 25 23.041 9.559 11.431 177 HH12 ARG 25 HH12 ARG 25 23.207 7.835 11.471 178 HH21 ARG 25 HH21 ARG 25 23.522 7.497 8.005 179 HH22 ARG 25 HH22 ARG 25 23.481 6.663 9.522 180 H LYS 26 H LYS 26 17.842 13.613 8.040 181 HA LYS 26 HA LYS 26 16.259 13.501 6.404 182 HB2 LYS 26 HB2 LYS 26 18.807 13.829 4.838 183 HB3 LYS 26 HB3 LYS 26 17.247 13.738 4.031 184 HG2 LYS 26 HG2 LYS 26 16.486 15.719 5.078 185 HG3 LYS 26 HG3 LYS 26 17.852 15.732 6.196 186 HD2 LYS 26 HD2 LYS 26 18.704 15.698 3.421 187 HD3 LYS 26 HD3 LYS 26 17.679 17.087 3.785 188 HE2 LYS 26 HE2 LYS 26 19.984 17.675 4.171 189 HE3 LYS 26 HE3 LYS 26 19.135 17.605 5.715 190 HZ1 LYS 26 HZ1 LYS 26 20.039 15.340 6.002 191 HZ2 LYS 26 HZ2 LYS 26 21.239 16.530 5.940 192 HZ3 LYS 26 HZ3 LYS 26 20.954 15.546 4.594 193 H VAL 27 H VAL 27 16.940 11.008 7.450 194 HA VAL 27 HA VAL 27 16.185 9.307 5.217 195 HB VAL 27 HB VAL 27 17.884 7.578 5.838 196 HG11 VAL 27 HG11 VAL 27 18.214 8.879 3.849 197 HG12 VAL 27 HG12 VAL 27 18.876 10.222 4.782 198 HG13 VAL 27 HG13 VAL 27 19.767 8.704 4.666 199 HG21 VAL 27 HG21 VAL 27 18.327 9.118 8.037 200 HG22 VAL 27 HG22 VAL 27 19.431 7.878 7.441 201 HG23 VAL 27 HG23 VAL 27 19.690 9.569 7.012 202 H CYS 28 H CYS 28 15.261 7.301 5.863 203 HA CYS 28 HA CYS 28 13.902 7.457 8.391 204 HB2 CYS 28 HB2 CYS 28 13.872 5.290 6.279 205 HB3 CYS 28 HB3 CYS 28 12.775 5.391 7.653 206 H VAL 29 H VAL 29 14.027 5.999 10.109 207 HA VAL 29 HA VAL 29 16.099 3.961 10.090 208 HB VAL 29 HB VAL 29 17.085 4.817 12.226 209 HG11 VAL 29 HG11 VAL 29 18.620 6.275 11.165 210 HG12 VAL 29 HG12 VAL 29 18.081 5.138 9.927 211 HG13 VAL 29 HG13 VAL 29 17.427 6.776 9.968 212 HG21 VAL 29 HG21 VAL 29 16.803 7.293 12.617 213 HG22 VAL 29 HG22 VAL 29 15.420 7.225 11.524 214 HG23 VAL 29 HG23 VAL 29 15.407 6.293 13.021 215 H LYS 30 H LYS 30 16.038 2.599 12.025 216 HA LYS 30 HA LYS 30 13.342 2.034 12.795 217 HB2 LYS 30 HB2 LYS 30 15.313 0.389 12.443 218 HB3 LYS 30 HB3 LYS 30 15.767 0.815 14.088 219 HG2 LYS 30 HG2 LYS 30 14.055 -0.332 15.005 220 HG3 LYS 30 HG3 LYS 30 12.952 0.036 13.677 221 HD2 LYS 30 HD2 LYS 30 14.796 -1.556 12.447 222 HD3 LYS 30 HD3 LYS 30 14.741 -2.255 14.067 223 HE2 LYS 30 HE2 LYS 30 12.315 -2.473 13.895 224 HE3 LYS 30 HE3 LYS 30 12.356 -1.747 12.289 225 HZ1 LYS 30 HZ1 LYS 30 13.827 -3.629 11.622 226 HZ2 LYS 30 HZ2 LYS 30 12.246 -4.083 12.015 227 HZ3 LYS 30 HZ3 LYS 30 13.501 -4.355 13.115 228 H GLY 31 H GLY 31 12.265 2.640 14.571 229 HA2 GLY 31 HA2 GLY 31 13.806 3.793 16.807 230 HA3 GLY 31 HA3 GLY 31 12.411 4.638 16.151 Start of MODEL 12 1 H1 GLY 1 H GLY 1 0.432 -0.998 -0.154 2 HA2 GLY 1 HA2 GLY 1 1.743 -0.642 -2.073 3 HA3 GLY 1 HA3 GLY 1 1.811 0.928 -1.286 4 H TYR 2 H TYR 2 3.746 1.716 -0.743 5 HA TYR 2 HA TYR 2 5.946 0.125 0.071 6 HB2 TYR 2 HB2 TYR 2 5.815 -0.284 -2.458 7 HB3 TYR 2 HB3 TYR 2 6.337 1.387 -2.637 8 HD1 TYR 2 HD1 TYR 2 7.318 -1.847 -1.076 9 HD2 TYR 2 HD2 TYR 2 8.610 1.920 -2.575 10 HE1 TYR 2 HE1 TYR 2 9.659 -2.561 -0.835 11 HE2 TYR 2 HE2 TYR 2 10.955 1.216 -2.338 12 HH TYR 2 HH TYR 2 12.338 -0.424 -1.777 13 H CYS 3 H CYS 3 6.574 1.470 1.632 14 HA CYS 3 HA CYS 3 6.745 4.343 1.071 15 HB2 CYS 3 HB2 CYS 3 7.280 3.294 3.798 16 HB3 CYS 3 HB3 CYS 3 6.399 4.735 3.298 17 H ALA 4 H ALA 4 8.615 5.185 2.832 18 HA ALA 4 HA ALA 4 11.070 4.236 1.586 19 HB1 ALA 4 HB1 ALA 4 11.008 6.551 1.552 20 HB2 ALA 4 HB2 ALA 4 10.333 6.659 3.178 21 HB3 ALA 4 HB3 ALA 4 12.025 6.215 2.954 22 H THR 5 H THR 5 11.999 2.527 2.511 23 HA THR 5 HA THR 5 11.743 2.017 5.346 24 HB THR 5 HB THR 5 13.357 0.071 4.715 25 HG1 THR 5 HG1 THR 5 12.330 0.601 2.126 26 HG21 THR 5 HG21 THR 5 11.058 -0.680 3.252 27 HG22 THR 5 HG22 THR 5 10.526 0.430 4.516 28 HG23 THR 5 HG23 THR 5 11.431 -1.023 4.941 29 H LYS 6 H LYS 6 13.879 1.186 6.427 30 HA LYS 6 HA LYS 6 15.474 3.315 7.055 31 HB2 LYS 6 HB2 LYS 6 15.473 1.278 8.372 32 HB3 LYS 6 HB3 LYS 6 16.214 0.384 7.051 33 HG2 LYS 6 HG2 LYS 6 18.285 1.288 7.414 34 HG3 LYS 6 HG3 LYS 6 17.637 2.757 8.147 35 HD2 LYS 6 HD2 LYS 6 17.291 1.730 10.202 36 HD3 LYS 6 HD3 LYS 6 17.293 0.109 9.502 37 HE2 LYS 6 HE2 LYS 6 19.781 0.842 8.868 38 HE3 LYS 6 HE3 LYS 6 19.558 1.847 10.299 39 HZ1 LYS 6 HZ1 LYS 6 20.491 -0.210 10.984 40 HZ2 LYS 6 HZ2 LYS 6 19.339 -1.106 10.131 41 HZ3 LYS 6 HZ3 LYS 6 18.877 -0.211 11.490 42 H GLY 7 H GLY 7 17.123 4.387 6.150 43 HA2 GLY 7 HA2 GLY 7 19.128 4.539 4.880 44 HA3 GLY 7 HA3 GLY 7 18.635 3.111 3.983 45 H ILE 8 H ILE 8 15.863 4.477 3.857 46 HA ILE 8 HA ILE 8 16.422 5.865 1.357 47 HB ILE 8 HB ILE 8 13.722 5.239 2.546 48 HG12 ILE 8 HG12 ILE 8 15.072 3.182 2.259 49 HG13 ILE 8 HG13 ILE 8 13.695 3.236 1.164 50 HG21 ILE 8 HG21 ILE 8 13.570 6.898 0.844 51 HG22 ILE 8 HG22 ILE 8 14.647 5.993 -0.218 52 HG23 ILE 8 HG23 ILE 8 13.035 5.373 0.139 53 HD11 ILE 8 HD11 ILE 8 15.883 4.414 -0.175 54 HD12 ILE 8 HD12 ILE 8 16.446 2.910 0.555 55 HD13 ILE 8 HD13 ILE 8 15.060 2.896 -0.535 56 H LYS 9 H LYS 9 16.058 7.993 0.981 57 HA LYS 9 HA LYS 9 16.205 9.856 3.008 58 HB2 LYS 9 HB2 LYS 9 15.074 10.146 0.222 59 HB3 LYS 9 HB3 LYS 9 15.383 11.505 1.295 60 HG2 LYS 9 HG2 LYS 9 17.655 9.685 0.907 61 HG3 LYS 9 HG3 LYS 9 17.137 10.566 -0.532 62 HD2 LYS 9 HD2 LYS 9 17.331 12.676 0.682 63 HD3 LYS 9 HD3 LYS 9 17.819 11.803 2.137 64 HE2 LYS 9 HE2 LYS 9 19.914 11.423 1.366 65 HE3 LYS 9 HE3 LYS 9 19.383 11.252 -0.307 66 HZ1 LYS 9 HZ1 LYS 9 18.918 13.862 0.209 67 HZ2 LYS 9 HZ2 LYS 9 20.288 13.257 -0.577 68 HZ3 LYS 9 HZ3 LYS 9 20.340 13.581 1.082 69 H CYS 10 H CYS 10 14.759 11.108 4.140 70 HA CYS 10 HA CYS 10 11.917 10.369 3.889 71 HB2 CYS 10 HB2 CYS 10 11.660 10.232 6.194 72 HB3 CYS 10 HB3 CYS 10 13.262 9.539 5.964 73 H ASN 11 H ASN 11 13.837 12.713 3.082 74 HA ASN 11 HA ASN 11 12.645 14.977 4.403 75 HB2 ASN 11 HB2 ASN 11 13.950 16.265 2.631 76 HB3 ASN 11 HB3 ASN 11 14.901 15.280 3.738 77 HD21 ASN 11 HD21 ASN 11 13.624 15.525 0.497 78 HD22 ASN 11 HD22 ASN 11 14.712 14.393 -0.225 79 H ASP 12 H ASP 12 12.152 13.189 1.452 80 HA ASP 12 HA ASP 12 10.037 15.087 0.675 81 HB2 ASP 12 HB2 ASP 12 10.338 13.672 -1.572 82 HB3 ASP 12 HB3 ASP 12 11.327 15.085 -1.212 83 H ILE 13 H ILE 13 10.853 11.620 0.645 84 HA ILE 13 HA ILE 13 8.017 10.950 0.490 85 HB ILE 13 HB ILE 13 9.610 9.728 -0.947 86 HG12 ILE 13 HG12 ILE 13 8.663 7.654 0.963 87 HG13 ILE 13 HG13 ILE 13 7.453 8.745 0.296 88 HG21 ILE 13 HG21 ILE 13 10.667 8.522 1.603 89 HG22 ILE 13 HG22 ILE 13 11.212 8.196 -0.042 90 HG23 ILE 13 HG23 ILE 13 11.493 9.779 0.682 91 HD11 ILE 13 HD11 ILE 13 7.356 7.449 -1.488 92 HD12 ILE 13 HD12 ILE 13 9.018 7.903 -1.868 93 HD13 ILE 13 HD13 ILE 13 8.696 6.467 -0.897 94 H HIS 14 H HIS 14 6.968 9.627 2.011 95 HA HIS 14 HA HIS 14 8.035 9.897 4.716 96 HB2 HIS 14 HB2 HIS 14 5.301 9.317 3.603 97 HB3 HIS 14 HB3 HIS 14 5.669 9.040 5.303 98 HD1 HIS 14 HD1 HIS 14 7.446 11.607 5.697 99 HD2 HIS 14 HD2 HIS 14 3.682 11.513 3.942 100 HE1 HIS 14 HE1 HIS 14 6.529 13.935 5.948 101 H CYS 15 H CYS 15 8.129 8.146 6.181 102 HA CYS 15 HA CYS 15 8.750 5.614 4.884 103 HB2 CYS 15 HB2 CYS 15 9.007 6.052 7.833 104 HB3 CYS 15 HB3 CYS 15 10.009 5.084 6.757 105 H CYS 16 H CYS 16 7.953 3.587 5.718 106 HA CYS 16 HA CYS 16 5.148 3.565 6.050 107 HB2 CYS 16 HB2 CYS 16 7.316 1.544 5.991 108 HB3 CYS 16 HB3 CYS 16 5.828 1.066 6.802 109 H SER 17 H SER 17 3.900 2.838 7.836 110 HA SER 17 HA SER 17 4.432 4.045 10.258 111 HB2 SER 17 HB2 SER 17 2.631 2.652 11.191 112 HB3 SER 17 HB3 SER 17 2.195 3.269 9.598 113 HG SER 17 HG SER 17 2.073 0.815 10.309 114 H GLY 18 H GLY 18 5.970 3.681 11.704 115 HA2 GLY 18 HA2 GLY 18 6.641 1.949 13.406 116 HA3 GLY 18 HA3 GLY 18 6.961 0.915 12.021 117 H LEU 19 H LEU 19 7.970 3.397 10.571 118 HA LEU 19 HA LEU 19 10.666 3.319 11.738 119 HB2 LEU 19 HB2 LEU 19 9.698 3.878 8.945 120 HB3 LEU 19 HB3 LEU 19 11.360 4.156 9.461 121 HG LEU 19 HG LEU 19 9.992 1.469 9.534 122 HD11 LEU 19 HD11 LEU 19 10.221 2.341 7.233 123 HD12 LEU 19 HD12 LEU 19 11.218 0.919 7.537 124 HD13 LEU 19 HD13 LEU 19 11.954 2.521 7.503 125 HD21 LEU 19 HD21 LEU 19 11.916 1.914 11.101 126 HD22 LEU 19 HD22 LEU 19 12.927 2.123 9.671 127 HD23 LEU 19 HD23 LEU 19 12.140 0.574 9.977 128 H LYS 20 H LYS 20 11.871 5.217 11.987 129 HA LYS 20 HA LYS 20 10.232 7.626 12.280 130 HB2 LYS 20 HB2 LYS 20 12.978 6.948 13.350 131 HB3 LYS 20 HB3 LYS 20 12.142 8.468 13.635 132 HG2 LYS 20 HG2 LYS 20 10.328 6.487 14.386 133 HG3 LYS 20 HG3 LYS 20 11.892 5.953 15.006 134 HD2 LYS 20 HD2 LYS 20 12.203 8.118 16.097 135 HD3 LYS 20 HD3 LYS 20 10.649 8.665 15.465 136 HE2 LYS 20 HE2 LYS 20 9.808 7.926 17.403 137 HE3 LYS 20 HE3 LYS 20 9.979 6.319 16.700 138 HZ1 LYS 20 HZ1 LYS 20 12.340 6.442 17.670 139 HZ2 LYS 20 HZ2 LYS 20 11.052 6.127 18.719 140 HZ3 LYS 20 HZ3 LYS 20 11.724 7.678 18.646 141 H CYS 21 H CYS 21 10.827 9.613 11.401 142 HA CYS 21 HA CYS 21 12.510 9.410 9.021 143 HB2 CYS 21 HB2 CYS 21 10.378 10.347 8.551 144 HB3 CYS 21 HB3 CYS 21 10.466 11.429 9.937 145 H ASP 22 H ASP 22 14.593 9.570 9.754 146 HA ASP 22 HA ASP 22 15.513 11.323 11.739 147 HB2 ASP 22 HB2 ASP 22 16.667 9.287 10.541 148 HB3 ASP 22 HB3 ASP 22 17.282 10.532 9.457 149 H SER 23 H SER 23 15.008 13.439 11.590 150 HA SER 23 HA SER 23 15.044 14.885 9.126 151 HB2 SER 23 HB2 SER 23 14.593 15.576 12.001 152 HB3 SER 23 HB3 SER 23 14.937 16.878 10.862 153 HG SER 23 HG SER 23 12.695 16.474 11.034 154 H LYS 24 H LYS 24 17.448 13.921 11.283 155 HA LYS 24 HA LYS 24 19.217 16.167 10.814 156 HB2 LYS 24 HB2 LYS 24 19.754 13.513 12.162 157 HB3 LYS 24 HB3 LYS 24 20.826 14.907 12.171 158 HG2 LYS 24 HG2 LYS 24 18.982 16.183 13.308 159 HG3 LYS 24 HG3 LYS 24 18.136 14.644 13.485 160 HD2 LYS 24 HD2 LYS 24 19.407 14.054 15.220 161 HD3 LYS 24 HD3 LYS 24 20.892 14.452 14.352 162 HE2 LYS 24 HE2 LYS 24 19.112 16.454 15.737 163 HE3 LYS 24 HE3 LYS 24 20.582 15.769 16.427 164 HZ1 LYS 24 HZ1 LYS 24 21.218 17.809 15.515 165 HZ2 LYS 24 HZ2 LYS 24 20.324 17.574 14.099 166 HZ3 LYS 24 HZ3 LYS 24 21.727 16.669 14.373 167 H ARG 25 H ARG 25 18.969 12.770 9.843 168 HA ARG 25 HA ARG 25 21.176 13.166 7.952 169 HB2 ARG 25 HB2 ARG 25 19.806 10.648 8.912 170 HB3 ARG 25 HB3 ARG 25 21.081 10.683 7.702 171 HG2 ARG 25 HG2 ARG 25 22.603 11.669 9.365 172 HG3 ARG 25 HG3 ARG 25 21.323 11.549 10.574 173 HD2 ARG 25 HD2 ARG 25 21.277 9.129 10.305 174 HD3 ARG 25 HD3 ARG 25 22.517 9.233 9.056 175 HE ARG 25 HE ARG 25 24.095 9.406 10.699 176 HH11 ARG 25 HH11 ARG 25 20.969 10.116 12.058 177 HH12 ARG 25 HH12 ARG 25 21.550 10.191 13.688 178 HH21 ARG 25 HH21 ARG 25 24.872 9.502 12.841 179 HH22 ARG 25 HH22 ARG 25 23.770 9.842 14.133 180 H LYS 26 H LYS 26 17.972 13.607 7.962 181 HA LYS 26 HA LYS 26 16.308 13.630 6.405 182 HB2 LYS 26 HB2 LYS 26 18.657 13.742 4.504 183 HB3 LYS 26 HB3 LYS 26 16.999 14.179 4.111 184 HG2 LYS 26 HG2 LYS 26 17.067 16.041 5.614 185 HG3 LYS 26 HG3 LYS 26 18.647 15.547 6.226 186 HD2 LYS 26 HD2 LYS 26 18.287 16.091 3.309 187 HD3 LYS 26 HD3 LYS 26 18.470 17.438 4.436 188 HE2 LYS 26 HE2 LYS 26 20.485 15.802 5.234 189 HE3 LYS 26 HE3 LYS 26 20.438 15.462 3.505 190 HZ1 LYS 26 HZ1 LYS 26 20.633 17.842 3.081 191 HZ2 LYS 26 HZ2 LYS 26 21.946 17.273 3.983 192 HZ3 LYS 26 HZ3 LYS 26 20.714 18.148 4.743 193 H VAL 27 H VAL 27 16.871 11.083 7.308 194 HA VAL 27 HA VAL 27 15.998 9.510 5.026 195 HB VAL 27 HB VAL 27 17.631 7.665 5.645 196 HG11 VAL 27 HG11 VAL 27 18.683 10.216 4.429 197 HG12 VAL 27 HG12 VAL 27 19.449 8.633 4.281 198 HG13 VAL 27 HG13 VAL 27 17.851 8.910 3.585 199 HG21 VAL 27 HG21 VAL 27 19.388 8.013 7.040 200 HG22 VAL 27 HG22 VAL 27 19.492 9.733 6.661 201 HG23 VAL 27 HG23 VAL 27 18.255 9.149 7.774 202 H CYS 28 H CYS 28 15.293 7.307 5.698 203 HA CYS 28 HA CYS 28 13.816 7.498 8.179 204 HB2 CYS 28 HB2 CYS 28 13.863 5.268 6.134 205 HB3 CYS 28 HB3 CYS 28 12.693 5.464 7.435 206 H VAL 29 H VAL 29 14.043 6.204 9.966 207 HA VAL 29 HA VAL 29 16.202 4.220 9.973 208 HB VAL 29 HB VAL 29 17.003 5.055 12.164 209 HG11 VAL 29 HG11 VAL 29 18.000 5.701 9.919 210 HG12 VAL 29 HG12 VAL 29 17.180 7.250 10.119 211 HG13 VAL 29 HG13 VAL 29 18.397 6.737 11.289 212 HG21 VAL 29 HG21 VAL 29 16.354 7.195 13.006 213 HG22 VAL 29 HG22 VAL 29 15.357 7.513 11.586 214 HG23 VAL 29 HG23 VAL 29 14.885 6.259 12.733 215 H LYS 30 H LYS 30 16.190 2.982 12.111 216 HA LYS 30 HA LYS 30 13.578 1.906 12.492 217 HB2 LYS 30 HB2 LYS 30 15.918 0.758 12.683 218 HB3 LYS 30 HB3 LYS 30 15.870 1.340 14.342 219 HG2 LYS 30 HG2 LYS 30 14.659 -0.417 14.913 220 HG3 LYS 30 HG3 LYS 30 13.383 0.107 13.811 221 HD2 LYS 30 HD2 LYS 30 14.451 -1.096 11.980 222 HD3 LYS 30 HD3 LYS 30 15.764 -1.587 13.053 223 HE2 LYS 30 HE2 LYS 30 13.519 -2.395 14.418 224 HE3 LYS 30 HE3 LYS 30 13.081 -2.693 12.736 225 HZ1 LYS 30 HZ1 LYS 30 15.432 -3.768 12.662 226 HZ2 LYS 30 HZ2 LYS 30 14.124 -4.637 13.289 227 HZ3 LYS 30 HZ3 LYS 30 15.227 -3.898 14.337 228 H GLY 31 H GLY 31 12.213 2.030 14.251 229 HA2 GLY 31 HA2 GLY 31 12.774 4.267 16.090 230 HA3 GLY 31 HA3 GLY 31 11.168 3.719 15.630 Start of MODEL 13 1 H1 GLY 1 H GLY 1 1.095 1.194 0.025 2 HA2 GLY 1 HA2 GLY 1 1.809 -0.599 -2.173 3 HA3 GLY 1 HA3 GLY 1 2.030 1.144 -2.143 4 H TYR 2 H TYR 2 3.851 2.025 -1.120 5 HA TYR 2 HA TYR 2 5.799 0.362 0.160 6 HB2 TYR 2 HB2 TYR 2 6.122 -0.186 -2.269 7 HB3 TYR 2 HB3 TYR 2 6.546 1.501 -2.538 8 HD1 TYR 2 HD1 TYR 2 7.489 -1.090 -0.004 9 HD2 TYR 2 HD2 TYR 2 8.807 1.805 -2.830 10 HE1 TYR 2 HE1 TYR 2 9.824 -1.591 0.581 11 HE2 TYR 2 HE2 TYR 2 11.146 1.312 -2.253 12 HH TYR 2 HH TYR 2 11.999 -1.349 -0.153 13 H CYS 3 H CYS 3 6.553 1.635 1.704 14 HA CYS 3 HA CYS 3 6.679 4.528 1.243 15 HB2 CYS 3 HB2 CYS 3 7.213 3.394 3.937 16 HB3 CYS 3 HB3 CYS 3 6.312 4.836 3.480 17 H ALA 4 H ALA 4 8.524 5.333 3.054 18 HA ALA 4 HA ALA 4 10.999 4.506 1.775 19 HB1 ALA 4 HB1 ALA 4 11.887 6.396 3.347 20 HB2 ALA 4 HB2 ALA 4 10.955 6.802 1.905 21 HB3 ALA 4 HB3 ALA 4 10.177 6.806 3.488 22 H THR 5 H THR 5 11.957 2.751 2.577 23 HA THR 5 HA THR 5 11.707 2.036 5.369 24 HB THR 5 HB THR 5 13.343 0.159 4.603 25 HG1 THR 5 HG1 THR 5 14.012 0.819 2.631 26 HG21 THR 5 HG21 THR 5 10.509 0.497 4.427 27 HG22 THR 5 HG22 THR 5 11.431 -0.973 4.745 28 HG23 THR 5 HG23 THR 5 11.054 -0.510 3.086 29 H LYS 6 H LYS 6 13.787 1.246 6.479 30 HA LYS 6 HA LYS 6 15.391 3.368 7.140 31 HB2 LYS 6 HB2 LYS 6 16.749 1.864 8.323 32 HB3 LYS 6 HB3 LYS 6 15.179 1.073 8.270 33 HG2 LYS 6 HG2 LYS 6 15.949 -0.312 6.401 34 HG3 LYS 6 HG3 LYS 6 17.529 0.470 6.484 35 HD2 LYS 6 HD2 LYS 6 17.657 -0.312 8.880 36 HD3 LYS 6 HD3 LYS 6 16.221 -1.287 8.553 37 HE2 LYS 6 HE2 LYS 6 18.896 -1.479 7.172 38 HE3 LYS 6 HE3 LYS 6 18.203 -2.645 8.299 39 HZ1 LYS 6 HZ1 LYS 6 17.479 -3.647 6.455 40 HZ2 LYS 6 HZ2 LYS 6 17.688 -2.277 5.487 41 HZ3 LYS 6 HZ3 LYS 6 16.286 -2.448 6.418 42 H GLY 7 H GLY 7 17.277 4.257 6.433 43 HA2 GLY 7 HA2 GLY 7 19.211 4.488 5.153 44 HA3 GLY 7 HA3 GLY 7 18.839 2.964 4.361 45 H ILE 8 H ILE 8 16.029 4.508 4.153 46 HA ILE 8 HA ILE 8 16.646 5.525 1.477 47 HB ILE 8 HB ILE 8 13.935 5.024 2.707 48 HG12 ILE 8 HG12 ILE 8 15.300 2.956 2.515 49 HG13 ILE 8 HG13 ILE 8 13.891 2.943 1.459 50 HG21 ILE 8 HG21 ILE 8 14.886 5.897 0.025 51 HG22 ILE 8 HG22 ILE 8 13.443 4.889 0.130 52 HG23 ILE 8 HG23 ILE 8 13.495 6.443 0.963 53 HD11 ILE 8 HD11 ILE 8 16.584 2.518 0.777 54 HD12 ILE 8 HD12 ILE 8 15.183 2.580 -0.293 55 HD13 ILE 8 HD13 ILE 8 16.103 4.047 0.042 56 H LYS 9 H LYS 9 16.579 7.623 0.983 57 HA LYS 9 HA LYS 9 16.504 9.632 2.895 58 HB2 LYS 9 HB2 LYS 9 15.934 9.811 -0.069 59 HB3 LYS 9 HB3 LYS 9 16.231 11.195 0.974 60 HG2 LYS 9 HG2 LYS 9 18.281 9.082 1.034 61 HG3 LYS 9 HG3 LYS 9 18.132 9.978 -0.479 62 HD2 LYS 9 HD2 LYS 9 18.143 12.067 1.081 63 HD3 LYS 9 HD3 LYS 9 18.875 10.961 2.247 64 HE2 LYS 9 HE2 LYS 9 20.222 10.534 -0.175 65 HE3 LYS 9 HE3 LYS 9 20.062 12.283 -0.015 66 HZ1 LYS 9 HZ1 LYS 9 21.396 12.334 1.794 67 HZ2 LYS 9 HZ2 LYS 9 22.038 10.940 1.085 68 HZ3 LYS 9 HZ3 LYS 9 20.923 10.808 2.350 69 H CYS 10 H CYS 10 14.949 10.877 3.787 70 HA CYS 10 HA CYS 10 12.179 10.448 2.876 71 HB2 CYS 10 HB2 CYS 10 11.406 10.480 5.133 72 HB3 CYS 10 HB3 CYS 10 12.757 9.353 5.079 73 H ASN 11 H ASN 11 14.139 12.549 2.181 74 HA ASN 11 HA ASN 11 13.667 14.952 3.509 75 HB2 ASN 11 HB2 ASN 11 14.193 14.582 0.551 76 HB3 ASN 11 HB3 ASN 11 14.462 16.053 1.483 77 HD21 ASN 11 HD21 ASN 11 16.502 16.387 1.934 78 HD22 ASN 11 HD22 ASN 11 17.695 15.176 2.244 79 H ASP 12 H ASP 12 11.648 13.148 1.380 80 HA ASP 12 HA ASP 12 9.578 15.202 1.635 81 HB2 ASP 12 HB2 ASP 12 8.941 14.523 -0.815 82 HB3 ASP 12 HB3 ASP 12 10.191 15.733 -0.535 83 H ILE 13 H ILE 13 10.395 11.883 0.727 84 HA ILE 13 HA ILE 13 7.670 10.977 0.996 85 HB ILE 13 HB ILE 13 9.277 9.946 -0.611 86 HG12 ILE 13 HG12 ILE 13 8.624 7.592 -0.091 87 HG13 ILE 13 HG13 ILE 13 8.058 8.136 1.485 88 HG21 ILE 13 HG21 ILE 13 11.247 9.997 0.862 89 HG22 ILE 13 HG22 ILE 13 10.511 8.748 1.865 90 HG23 ILE 13 HG23 ILE 13 10.953 8.392 0.196 91 HD11 ILE 13 HD11 ILE 13 6.820 9.797 -0.400 92 HD12 ILE 13 HD12 ILE 13 6.706 8.153 -1.030 93 HD13 ILE 13 HD13 ILE 13 6.085 8.526 0.577 94 H HIS 14 H HIS 14 6.815 9.715 2.625 95 HA HIS 14 HA HIS 14 8.224 9.879 5.181 96 HB2 HIS 14 HB2 HIS 14 5.713 10.552 4.671 97 HB3 HIS 14 HB3 HIS 14 5.434 8.836 4.952 98 HD1 HIS 14 HD1 HIS 14 5.047 8.207 7.313 99 HD2 HIS 14 HD2 HIS 14 7.118 11.794 6.986 100 HE1 HIS 14 HE1 HIS 14 5.292 9.059 9.666 101 H CYS 15 H CYS 15 8.195 8.037 6.647 102 HA CYS 15 HA CYS 15 8.774 5.573 5.209 103 HB2 CYS 15 HB2 CYS 15 9.027 5.838 8.180 104 HB3 CYS 15 HB3 CYS 15 10.015 4.912 7.054 105 H CYS 16 H CYS 16 7.902 3.531 5.843 106 HA CYS 16 HA CYS 16 5.112 3.530 6.178 107 HB2 CYS 16 HB2 CYS 16 7.249 1.479 6.052 108 HB3 CYS 16 HB3 CYS 16 5.741 0.987 6.816 109 H SER 17 H SER 17 3.830 2.711 7.908 110 HA SER 17 HA SER 17 4.317 3.804 10.389 111 HB2 SER 17 HB2 SER 17 2.488 2.439 11.222 112 HB3 SER 17 HB3 SER 17 2.105 2.983 9.589 113 HG SER 17 HG SER 17 1.810 0.940 9.209 114 H GLY 18 H GLY 18 6.064 3.425 11.599 115 HA2 GLY 18 HA2 GLY 18 6.675 1.629 13.325 116 HA3 GLY 18 HA3 GLY 18 6.980 0.640 11.904 117 H LEU 19 H LEU 19 7.906 3.358 10.667 118 HA LEU 19 HA LEU 19 10.630 3.213 11.782 119 HB2 LEU 19 HB2 LEU 19 9.692 3.787 8.980 120 HB3 LEU 19 HB3 LEU 19 11.350 4.040 9.522 121 HG LEU 19 HG LEU 19 9.953 1.367 9.560 122 HD11 LEU 19 HD11 LEU 19 11.904 2.453 7.534 123 HD12 LEU 19 HD12 LEU 19 10.178 2.212 7.266 124 HD13 LEU 19 HD13 LEU 19 11.225 0.826 7.569 125 HD21 LEU 19 HD21 LEU 19 12.900 1.944 9.669 126 HD22 LEU 19 HD22 LEU 19 12.057 0.443 10.051 127 HD23 LEU 19 HD23 LEU 19 11.907 1.837 11.123 128 H LYS 20 H LYS 20 11.892 5.198 11.698 129 HA LYS 20 HA LYS 20 10.187 7.582 12.001 130 HB2 LYS 20 HB2 LYS 20 12.751 6.796 13.383 131 HB3 LYS 20 HB3 LYS 20 12.102 8.430 13.445 132 HG2 LYS 20 HG2 LYS 20 10.162 6.362 14.149 133 HG3 LYS 20 HG3 LYS 20 11.557 6.442 15.228 134 HD2 LYS 20 HD2 LYS 20 10.470 9.063 14.542 135 HD3 LYS 20 HD3 LYS 20 9.315 8.024 15.380 136 HE2 LYS 20 HE2 LYS 20 11.936 7.884 16.590 137 HE3 LYS 20 HE3 LYS 20 11.350 9.545 16.523 138 HZ1 LYS 20 HZ1 LYS 20 9.823 9.136 18.074 139 HZ2 LYS 20 HZ2 LYS 20 10.694 7.728 18.416 140 HZ3 LYS 20 HZ3 LYS 20 9.356 7.664 17.383 141 H CYS 21 H CYS 21 10.605 9.344 10.802 142 HA CYS 21 HA CYS 21 12.665 9.140 8.766 143 HB2 CYS 21 HB2 CYS 21 10.576 9.875 7.927 144 HB3 CYS 21 HB3 CYS 21 10.374 11.041 9.229 145 H ASP 22 H ASP 22 14.623 9.539 9.697 146 HA ASP 22 HA ASP 22 15.147 11.500 11.642 147 HB2 ASP 22 HB2 ASP 22 16.582 9.467 10.746 148 HB3 ASP 22 HB3 ASP 22 17.271 10.703 9.697 149 H SER 23 H SER 23 14.607 13.569 11.286 150 HA SER 23 HA SER 23 14.789 14.823 8.729 151 HB2 SER 23 HB2 SER 23 13.105 15.645 10.197 152 HB3 SER 23 HB3 SER 23 14.262 15.880 11.508 153 HG SER 23 HG SER 23 13.600 17.806 10.262 154 H LYS 24 H LYS 24 17.054 14.142 11.129 155 HA LYS 24 HA LYS 24 18.759 16.426 10.626 156 HB2 LYS 24 HB2 LYS 24 19.327 13.897 12.183 157 HB3 LYS 24 HB3 LYS 24 20.304 15.359 12.190 158 HG2 LYS 24 HG2 LYS 24 17.873 16.338 12.907 159 HG3 LYS 24 HG3 LYS 24 17.838 14.730 13.635 160 HD2 LYS 24 HD2 LYS 24 18.997 15.616 15.325 161 HD3 LYS 24 HD3 LYS 24 20.375 15.660 14.223 162 HE2 LYS 24 HE2 LYS 24 20.107 17.834 15.201 163 HE3 LYS 24 HE3 LYS 24 19.652 17.923 13.500 164 HZ1 LYS 24 HZ1 LYS 24 17.592 17.450 15.550 165 HZ2 LYS 24 HZ2 LYS 24 17.432 18.141 14.015 166 HZ3 LYS 24 HZ3 LYS 24 18.153 19.021 15.267 167 H ARG 25 H ARG 25 18.712 12.970 9.865 168 HA ARG 25 HA ARG 25 21.047 13.336 8.127 169 HB2 ARG 25 HB2 ARG 25 19.699 10.842 9.173 170 HB3 ARG 25 HB3 ARG 25 21.028 10.827 8.022 171 HG2 ARG 25 HG2 ARG 25 22.444 11.974 9.676 172 HG3 ARG 25 HG3 ARG 25 21.112 11.906 10.832 173 HD2 ARG 25 HD2 ARG 25 21.258 9.312 10.077 174 HD3 ARG 25 HD3 ARG 25 22.947 9.792 9.923 175 HE ARG 25 HE ARG 25 21.436 9.506 12.359 176 HH11 ARG 25 HH11 ARG 25 24.214 10.956 10.843 177 HH12 ARG 25 HH12 ARG 25 25.085 11.153 12.328 178 HH21 ARG 25 HH21 ARG 25 22.571 9.760 14.320 179 HH22 ARG 25 HH22 ARG 25 24.150 10.472 14.305 180 H LYS 26 H LYS 26 17.835 13.640 7.867 181 HA LYS 26 HA LYS 26 16.304 13.519 6.185 182 HB2 LYS 26 HB2 LYS 26 18.774 13.532 4.439 183 HB3 LYS 26 HB3 LYS 26 17.143 13.947 3.929 184 HG2 LYS 26 HG2 LYS 26 17.463 16.050 4.529 185 HG3 LYS 26 HG3 LYS 26 17.827 15.549 6.182 186 HD2 LYS 26 HD2 LYS 26 20.170 15.070 5.418 187 HD3 LYS 26 HD3 LYS 26 19.752 15.823 3.878 188 HE2 LYS 26 HE2 LYS 26 19.041 17.438 6.206 189 HE3 LYS 26 HE3 LYS 26 20.769 17.119 6.072 190 HZ1 LYS 26 HZ1 LYS 26 19.008 18.602 4.252 191 HZ2 LYS 26 HZ2 LYS 26 20.359 17.813 3.610 192 HZ3 LYS 26 HZ3 LYS 26 20.558 18.994 4.805 193 H VAL 27 H VAL 27 16.966 11.045 7.323 194 HA VAL 27 HA VAL 27 16.195 9.288 5.146 195 HB VAL 27 HB VAL 27 17.912 7.573 5.808 196 HG11 VAL 27 HG11 VAL 27 18.932 10.151 4.619 197 HG12 VAL 27 HG12 VAL 27 19.705 8.573 4.465 198 HG13 VAL 27 HG13 VAL 27 18.118 8.852 3.748 199 HG21 VAL 27 HG21 VAL 27 19.553 7.980 7.300 200 HG22 VAL 27 HG22 VAL 27 19.711 9.671 6.828 201 HG23 VAL 27 HG23 VAL 27 18.418 9.178 7.921 202 H CYS 28 H CYS 28 15.437 7.195 5.898 203 HA CYS 28 HA CYS 28 14.049 7.438 8.416 204 HB2 CYS 28 HB2 CYS 28 14.073 5.212 6.367 205 HB3 CYS 28 HB3 CYS 28 13.010 5.280 7.768 206 H VAL 29 H VAL 29 14.290 6.154 10.224 207 HA VAL 29 HA VAL 29 16.522 4.250 10.259 208 HB VAL 29 HB VAL 29 17.254 5.138 12.465 209 HG11 VAL 29 HG11 VAL 29 18.586 6.900 11.581 210 HG12 VAL 29 HG12 VAL 29 18.334 5.738 10.277 211 HG13 VAL 29 HG13 VAL 29 17.408 7.239 10.314 212 HG21 VAL 29 HG21 VAL 29 16.437 7.085 13.397 213 HG22 VAL 29 HG22 VAL 29 15.786 7.671 11.866 214 HG23 VAL 29 HG23 VAL 29 14.971 6.367 12.730 215 H LYS 30 H LYS 30 16.538 2.981 12.352 216 HA LYS 30 HA LYS 30 14.179 1.589 12.685 217 HB2 LYS 30 HB2 LYS 30 16.485 0.885 13.423 218 HB3 LYS 30 HB3 LYS 30 16.281 1.923 14.828 219 HG2 LYS 30 HG2 LYS 30 13.994 0.323 14.755 220 HG3 LYS 30 HG3 LYS 30 15.341 -0.754 14.379 221 HD2 LYS 30 HD2 LYS 30 16.357 -0.414 16.418 222 HD3 LYS 30 HD3 LYS 30 15.605 1.166 16.648 223 HE2 LYS 30 HE2 LYS 30 13.531 0.198 17.235 224 HE3 LYS 30 HE3 LYS 30 14.026 -1.393 16.659 225 HZ1 LYS 30 HZ1 LYS 30 14.041 -0.966 19.159 226 HZ2 LYS 30 HZ2 LYS 30 15.446 -0.068 18.882 227 HZ3 LYS 30 HZ3 LYS 30 15.402 -1.712 18.486 228 H GLY 31 H GLY 31 12.417 1.729 13.993 229 HA2 GLY 31 HA2 GLY 31 12.030 4.284 15.357 230 HA3 GLY 31 HA3 GLY 31 10.778 3.114 14.964 Start of MODEL 14 1 H1 GLY 1 H GLY 1 1.540 2.816 0.514 2 HA2 GLY 1 HA2 GLY 1 2.025 0.357 0.429 3 HA3 GLY 1 HA3 GLY 1 1.580 0.458 -1.268 4 H TYR 2 H TYR 2 4.115 -0.321 0.132 5 HA TYR 2 HA TYR 2 6.363 -0.090 -0.135 6 HB2 TYR 2 HB2 TYR 2 5.858 -0.454 -2.474 7 HB3 TYR 2 HB3 TYR 2 5.440 1.242 -2.688 8 HD1 TYR 2 HD1 TYR 2 8.350 -0.645 -1.274 9 HD2 TYR 2 HD2 TYR 2 7.000 2.427 -3.890 10 HE1 TYR 2 HE1 TYR 2 10.680 -0.156 -1.892 11 HE2 TYR 2 HE2 TYR 2 9.326 2.924 -4.516 12 HH TYR 2 HH TYR 2 11.459 2.376 -4.261 13 H CYS 3 H CYS 3 6.668 1.276 1.648 14 HA CYS 3 HA CYS 3 6.773 4.156 1.108 15 HB2 CYS 3 HB2 CYS 3 7.318 3.101 3.831 16 HB3 CYS 3 HB3 CYS 3 6.406 4.523 3.336 17 H ALA 4 H ALA 4 8.612 5.071 2.826 18 HA ALA 4 HA ALA 4 11.093 4.191 1.599 19 HB1 ALA 4 HB1 ALA 4 10.310 6.551 3.272 20 HB2 ALA 4 HB2 ALA 4 12.006 6.165 2.977 21 HB3 ALA 4 HB3 ALA 4 10.932 6.513 1.622 22 H THR 5 H THR 5 12.087 2.502 2.488 23 HA THR 5 HA THR 5 11.834 1.914 5.309 24 HB THR 5 HB THR 5 13.518 0.040 4.633 25 HG1 THR 5 HG1 THR 5 13.485 -0.405 2.406 26 HG21 THR 5 HG21 THR 5 11.633 -1.127 4.842 27 HG22 THR 5 HG22 THR 5 11.239 -0.757 3.163 28 HG23 THR 5 HG23 THR 5 10.677 0.303 4.456 29 H LYS 6 H LYS 6 13.970 1.154 6.407 30 HA LYS 6 HA LYS 6 15.504 3.327 7.053 31 HB2 LYS 6 HB2 LYS 6 16.928 1.874 8.212 32 HB3 LYS 6 HB3 LYS 6 15.400 1.005 8.156 33 HG2 LYS 6 HG2 LYS 6 16.228 -0.310 6.259 34 HG3 LYS 6 HG3 LYS 6 17.770 0.544 6.357 35 HD2 LYS 6 HD2 LYS 6 18.419 -1.089 7.738 36 HD3 LYS 6 HD3 LYS 6 17.367 -0.337 8.939 37 HE2 LYS 6 HE2 LYS 6 15.676 -1.871 8.611 38 HE3 LYS 6 HE3 LYS 6 16.212 -2.269 6.980 39 HZ1 LYS 6 HZ1 LYS 6 18.297 -3.123 8.343 40 HZ2 LYS 6 HZ2 LYS 6 16.949 -4.102 8.049 41 HZ3 LYS 6 HZ3 LYS 6 17.119 -3.324 9.542 42 H GLY 7 H GLY 7 17.308 4.321 6.298 43 HA2 GLY 7 HA2 GLY 7 19.264 4.558 5.016 44 HA3 GLY 7 HA3 GLY 7 18.837 3.098 4.136 45 H ILE 8 H ILE 8 16.031 4.388 3.911 46 HA ILE 8 HA ILE 8 16.603 5.704 1.382 47 HB ILE 8 HB ILE 8 13.903 5.103 2.588 48 HG12 ILE 8 HG12 ILE 8 15.270 3.051 2.332 49 HG13 ILE 8 HG13 ILE 8 13.884 3.074 1.248 50 HG21 ILE 8 HG21 ILE 8 14.851 5.969 -0.118 51 HG22 ILE 8 HG22 ILE 8 13.327 5.104 0.078 52 HG23 ILE 8 HG23 ILE 8 13.572 6.653 0.886 53 HD11 ILE 8 HD11 ILE 8 16.084 4.242 -0.106 54 HD12 ILE 8 HD12 ILE 8 16.612 2.721 0.615 55 HD13 ILE 8 HD13 ILE 8 15.224 2.747 -0.473 56 H LYS 9 H LYS 9 16.460 7.829 1.018 57 HA LYS 9 HA LYS 9 16.441 9.721 3.024 58 HB2 LYS 9 HB2 LYS 9 15.551 10.107 0.160 59 HB3 LYS 9 HB3 LYS 9 16.039 11.387 1.262 60 HG2 LYS 9 HG2 LYS 9 17.913 9.143 0.647 61 HG3 LYS 9 HG3 LYS 9 17.723 10.486 -0.483 62 HD2 LYS 9 HD2 LYS 9 18.009 11.776 1.916 63 HD3 LYS 9 HD3 LYS 9 19.074 10.383 2.111 64 HE2 LYS 9 HE2 LYS 9 20.356 12.178 1.185 65 HE3 LYS 9 HE3 LYS 9 20.121 10.966 -0.074 66 HZ1 LYS 9 HZ1 LYS 9 18.004 12.793 -0.201 67 HZ2 LYS 9 HZ2 LYS 9 19.216 12.513 -1.347 68 HZ3 LYS 9 HZ3 LYS 9 19.445 13.677 -0.141 69 H CYS 10 H CYS 10 14.926 10.985 4.014 70 HA CYS 10 HA CYS 10 12.105 10.389 3.403 71 HB2 CYS 10 HB2 CYS 10 11.561 10.291 5.670 72 HB3 CYS 10 HB3 CYS 10 13.117 9.468 5.606 73 H ASN 11 H ASN 11 14.160 12.634 2.783 74 HA ASN 11 HA ASN 11 13.333 14.992 4.043 75 HB2 ASN 11 HB2 ASN 11 15.378 14.835 2.687 76 HB3 ASN 11 HB3 ASN 11 14.403 14.637 1.234 77 HD21 ASN 11 HD21 ASN 11 15.242 16.464 0.267 78 HD22 ASN 11 HD22 ASN 11 14.842 18.060 0.793 79 H ASP 12 H ASP 12 11.777 13.046 1.690 80 HA ASP 12 HA ASP 12 9.612 15.015 1.511 81 HB2 ASP 12 HB2 ASP 12 11.180 14.941 -0.565 82 HB3 ASP 12 HB3 ASP 12 10.373 13.414 -0.913 83 H ILE 13 H ILE 13 10.528 11.697 0.583 84 HA ILE 13 HA ILE 13 7.837 10.740 0.759 85 HB ILE 13 HB ILE 13 9.560 9.726 -0.730 86 HG12 ILE 13 HG12 ILE 13 8.746 7.500 1.055 87 HG13 ILE 13 HG13 ILE 13 7.457 8.548 0.473 88 HG21 ILE 13 HG21 ILE 13 10.650 8.503 1.799 89 HG22 ILE 13 HG22 ILE 13 11.241 8.264 0.156 90 HG23 ILE 13 HG23 ILE 13 11.408 9.838 0.931 91 HD11 ILE 13 HD11 ILE 13 7.587 7.752 -1.617 92 HD12 ILE 13 HD12 ILE 13 9.347 7.635 -1.578 93 HD13 ILE 13 HD13 ILE 13 8.362 6.375 -0.834 94 H HIS 14 H HIS 14 6.901 9.449 2.326 95 HA HIS 14 HA HIS 14 8.115 9.663 4.976 96 HB2 HIS 14 HB2 HIS 14 5.862 8.995 5.795 97 HB3 HIS 14 HB3 HIS 14 5.834 10.456 4.812 98 HD1 HIS 14 HD1 HIS 14 4.025 10.491 3.138 99 HD2 HIS 14 HD2 HIS 14 5.179 6.610 4.071 100 HE1 HIS 14 HE1 HIS 14 2.490 8.998 1.820 101 H CYS 15 H CYS 15 8.178 7.854 6.417 102 HA CYS 15 HA CYS 15 8.809 5.376 5.026 103 HB2 CYS 15 HB2 CYS 15 9.069 5.695 7.989 104 HB3 CYS 15 HB3 CYS 15 10.081 4.787 6.870 105 H CYS 16 H CYS 16 8.003 3.322 5.740 106 HA CYS 16 HA CYS 16 5.209 3.265 6.077 107 HB2 CYS 16 HB2 CYS 16 7.394 1.265 5.980 108 HB3 CYS 16 HB3 CYS 16 5.907 0.752 6.772 109 H SER 17 H SER 17 3.964 2.422 7.834 110 HA SER 17 HA SER 17 4.417 3.595 10.284 111 HB2 SER 17 HB2 SER 17 2.633 2.220 11.152 112 HB3 SER 17 HB3 SER 17 2.241 2.638 9.484 113 HG SER 17 HG SER 17 3.119 0.177 10.540 114 H GLY 18 H GLY 18 6.118 3.309 11.570 115 HA2 GLY 18 HA2 GLY 18 6.822 1.581 13.307 116 HA3 GLY 18 HA3 GLY 18 7.174 0.576 11.909 117 H LEU 19 H LEU 19 8.008 3.250 10.573 118 HA LEU 19 HA LEU 19 10.725 3.260 11.710 119 HB2 LEU 19 HB2 LEU 19 9.782 3.763 8.894 120 HB3 LEU 19 HB3 LEU 19 11.434 4.040 9.444 121 HG LEU 19 HG LEU 19 10.067 1.353 9.509 122 HD11 LEU 19 HD11 LEU 19 12.001 2.447 7.471 123 HD12 LEU 19 HD12 LEU 19 10.282 2.155 7.206 124 HD13 LEU 19 HD13 LEU 19 11.366 0.802 7.531 125 HD21 LEU 19 HD21 LEU 19 12.139 0.458 10.078 126 HD22 LEU 19 HD22 LEU 19 12.044 1.925 11.054 127 HD23 LEU 19 HD23 LEU 19 13.012 1.907 9.579 128 H LYS 20 H LYS 20 11.880 5.266 11.724 129 HA LYS 20 HA LYS 20 10.089 7.586 11.968 130 HB2 LYS 20 HB2 LYS 20 12.740 6.946 13.258 131 HB3 LYS 20 HB3 LYS 20 12.015 8.547 13.325 132 HG2 LYS 20 HG2 LYS 20 10.614 6.070 14.291 133 HG3 LYS 20 HG3 LYS 20 11.625 7.081 15.326 134 HD2 LYS 20 HD2 LYS 20 9.828 8.339 15.710 135 HD3 LYS 20 HD3 LYS 20 9.908 8.855 14.023 136 HE2 LYS 20 HE2 LYS 20 7.782 8.042 14.050 137 HE3 LYS 20 HE3 LYS 20 8.641 6.554 13.655 138 HZ1 LYS 20 HZ1 LYS 20 8.139 5.648 15.626 139 HZ2 LYS 20 HZ2 LYS 20 6.907 6.805 15.678 140 HZ3 LYS 20 HZ3 LYS 20 8.367 7.088 16.484 141 H CYS 21 H CYS 21 10.682 9.587 11.088 142 HA CYS 21 HA CYS 21 12.462 9.373 8.781 143 HB2 CYS 21 HB2 CYS 21 10.316 10.248 8.226 144 HB3 CYS 21 HB3 CYS 21 10.354 11.382 9.572 145 H ASP 22 H ASP 22 14.501 9.566 9.655 146 HA ASP 22 HA ASP 22 15.304 11.388 11.615 147 HB2 ASP 22 HB2 ASP 22 16.544 9.355 10.462 148 HB3 ASP 22 HB3 ASP 22 17.204 10.627 9.438 149 H SER 23 H SER 23 14.768 13.490 11.409 150 HA SER 23 HA SER 23 14.875 14.892 8.919 151 HB2 SER 23 HB2 SER 23 13.265 15.566 10.607 152 HB3 SER 23 HB3 SER 23 14.559 15.893 11.759 153 HG SER 23 HG SER 23 14.183 17.844 10.926 154 H LYS 24 H LYS 24 17.201 14.025 11.200 155 HA LYS 24 HA LYS 24 18.939 16.302 10.763 156 HB2 LYS 24 HB2 LYS 24 19.179 13.752 12.341 157 HB3 LYS 24 HB3 LYS 24 20.567 14.803 12.091 158 HG2 LYS 24 HG2 LYS 24 19.505 16.602 13.241 159 HG3 LYS 24 HG3 LYS 24 17.976 15.723 13.313 160 HD2 LYS 24 HD2 LYS 24 18.885 15.447 15.447 161 HD3 LYS 24 HD3 LYS 24 19.292 13.943 14.617 162 HE2 LYS 24 HE2 LYS 24 21.251 14.613 15.754 163 HE3 LYS 24 HE3 LYS 24 21.516 15.007 14.056 164 HZ1 LYS 24 HZ1 LYS 24 22.062 17.013 14.820 165 HZ2 LYS 24 HZ2 LYS 24 21.362 16.749 16.336 166 HZ3 LYS 24 HZ3 LYS 24 20.404 17.267 15.042 167 H ARG 25 H ARG 25 18.816 12.878 9.861 168 HA ARG 25 HA ARG 25 21.095 13.289 8.060 169 HB2 ARG 25 HB2 ARG 25 19.739 10.741 8.962 170 HB3 ARG 25 HB3 ARG 25 21.123 10.820 7.880 171 HG2 ARG 25 HG2 ARG 25 21.704 12.297 10.253 172 HG3 ARG 25 HG3 ARG 25 21.115 10.692 10.688 173 HD2 ARG 25 HD2 ARG 25 22.757 9.773 9.001 174 HD3 ARG 25 HD3 ARG 25 23.443 11.395 8.916 175 HE ARG 25 HE ARG 25 23.280 10.463 11.601 176 HH11 ARG 25 HH11 ARG 25 25.136 10.204 8.667 177 HH12 ARG 25 HH12 ARG 25 26.607 9.784 9.481 178 HH21 ARG 25 HH21 ARG 25 25.210 9.912 12.684 179 HH22 ARG 25 HH22 ARG 25 26.648 9.618 11.765 180 H LYS 26 H LYS 26 17.881 13.645 7.920 181 HA LYS 26 HA LYS 26 16.288 13.589 6.292 182 HB2 LYS 26 HB2 LYS 26 18.733 13.752 4.520 183 HB3 LYS 26 HB3 LYS 26 17.085 14.083 4.004 184 HG2 LYS 26 HG2 LYS 26 18.164 15.602 6.318 185 HG3 LYS 26 HG3 LYS 26 18.733 16.014 4.699 186 HD2 LYS 26 HD2 LYS 26 16.611 16.646 3.980 187 HD3 LYS 26 HD3 LYS 26 15.803 15.744 5.264 188 HE2 LYS 26 HE2 LYS 26 16.099 17.398 6.797 189 HE3 LYS 26 HE3 LYS 26 17.625 17.928 6.091 190 HZ1 LYS 26 HZ1 LYS 26 16.188 18.772 4.183 191 HZ2 LYS 26 HZ2 LYS 26 16.144 19.643 5.633 192 HZ3 LYS 26 HZ3 LYS 26 14.877 18.594 5.237 193 H VAL 27 H VAL 27 16.852 11.081 7.270 194 HA VAL 27 HA VAL 27 16.147 9.439 4.979 195 HB VAL 27 HB VAL 27 17.780 7.650 5.692 196 HG11 VAL 27 HG11 VAL 27 19.681 8.673 4.485 197 HG12 VAL 27 HG12 VAL 27 18.137 8.916 3.667 198 HG13 VAL 27 HG13 VAL 27 18.869 10.235 4.583 199 HG21 VAL 27 HG21 VAL 27 19.529 9.730 6.862 200 HG22 VAL 27 HG22 VAL 27 18.214 9.135 7.875 201 HG23 VAL 27 HG23 VAL 27 19.408 8.009 7.231 202 H CYS 28 H CYS 28 15.448 7.239 5.657 203 HA CYS 28 HA CYS 28 13.834 7.447 8.050 204 HB2 CYS 28 HB2 CYS 28 14.030 5.323 5.908 205 HB3 CYS 28 HB3 CYS 28 12.930 5.232 7.279 206 H VAL 29 H VAL 29 13.967 6.159 9.859 207 HA VAL 29 HA VAL 29 16.145 4.210 10.024 208 HB VAL 29 HB VAL 29 16.757 5.139 12.293 209 HG11 VAL 29 HG11 VAL 29 17.351 7.167 10.178 210 HG12 VAL 29 HG12 VAL 29 18.417 6.485 11.408 211 HG13 VAL 29 HG13 VAL 29 17.944 5.515 10.013 212 HG21 VAL 29 HG21 VAL 29 15.199 7.510 11.268 213 HG22 VAL 29 HG22 VAL 29 14.808 6.525 12.677 214 HG23 VAL 29 HG23 VAL 29 16.260 7.525 12.677 215 H LYS 30 H LYS 30 16.061 3.176 12.339 216 HA LYS 30 HA LYS 30 13.430 2.059 12.607 217 HB2 LYS 30 HB2 LYS 30 15.800 0.958 12.952 218 HB3 LYS 30 HB3 LYS 30 15.605 1.551 14.596 219 HG2 LYS 30 HG2 LYS 30 13.886 0.116 15.060 220 HG3 LYS 30 HG3 LYS 30 13.384 -0.004 13.372 221 HD2 LYS 30 HD2 LYS 30 15.201 -1.450 12.851 222 HD3 LYS 30 HD3 LYS 30 15.971 -1.148 14.411 223 HE2 LYS 30 HE2 LYS 30 14.521 -2.515 15.543 224 HE3 LYS 30 HE3 LYS 30 13.216 -2.272 14.383 225 HZ1 LYS 30 HZ1 LYS 30 15.212 -3.530 12.977 226 HZ2 LYS 30 HZ2 LYS 30 13.775 -4.228 13.533 227 HZ3 LYS 30 HZ3 LYS 30 15.181 -4.325 14.470 228 H GLY 31 H GLY 31 11.898 2.505 14.085 229 HA2 GLY 31 HA2 GLY 31 12.347 4.793 15.832 230 HA3 GLY 31 HA3 GLY 31 10.800 4.038 15.479 Start of MODEL 15 1 H1 GLY 1 H GLY 1 1.757 -1.292 -3.035 2 HA2 GLY 1 HA2 GLY 1 1.785 1.195 -1.449 3 HA3 GLY 1 HA3 GLY 1 1.381 -0.394 -0.816 4 H TYR 2 H TYR 2 3.779 1.916 -1.088 5 HA TYR 2 HA TYR 2 5.684 0.249 0.258 6 HB2 TYR 2 HB2 TYR 2 5.907 -0.149 -2.322 7 HB3 TYR 2 HB3 TYR 2 6.715 1.415 -2.303 8 HD1 TYR 2 HD1 TYR 2 6.792 -1.773 -0.341 9 HD2 TYR 2 HD2 TYR 2 9.010 1.369 -2.162 10 HE1 TYR 2 HE1 TYR 2 8.888 -2.870 0.332 11 HE2 TYR 2 HE2 TYR 2 11.112 0.279 -1.496 12 HH TYR 2 HH TYR 2 11.944 -1.893 -0.875 13 H CYS 3 H CYS 3 6.483 1.524 1.777 14 HA CYS 3 HA CYS 3 6.610 4.414 1.299 15 HB2 CYS 3 HB2 CYS 3 7.171 3.294 3.992 16 HB3 CYS 3 HB3 CYS 3 6.269 4.736 3.538 17 H ALA 4 H ALA 4 8.476 5.271 3.021 18 HA ALA 4 HA ALA 4 10.935 4.404 1.746 19 HB1 ALA 4 HB1 ALA 4 10.141 6.737 3.429 20 HB2 ALA 4 HB2 ALA 4 11.847 6.326 3.255 21 HB3 ALA 4 HB3 ALA 4 10.882 6.704 1.829 22 H THR 5 H THR 5 11.891 2.658 2.573 23 HA THR 5 HA THR 5 11.679 2.006 5.383 24 HB THR 5 HB THR 5 13.307 0.113 4.632 25 HG1 THR 5 HG1 THR 5 13.403 -0.223 2.449 26 HG21 THR 5 HG21 THR 5 10.996 -0.605 3.178 27 HG22 THR 5 HG22 THR 5 10.467 0.448 4.491 28 HG23 THR 5 HG23 THR 5 11.395 -1.009 4.847 29 H LYS 6 H LYS 6 13.789 1.212 6.461 30 HA LYS 6 HA LYS 6 15.394 3.337 7.092 31 HB2 LYS 6 HB2 LYS 6 16.779 1.844 8.244 32 HB3 LYS 6 HB3 LYS 6 15.225 1.022 8.200 33 HG2 LYS 6 HG2 LYS 6 16.002 -0.321 6.300 34 HG3 LYS 6 HG3 LYS 6 17.569 0.485 6.387 35 HD2 LYS 6 HD2 LYS 6 18.250 -0.863 8.025 36 HD3 LYS 6 HD3 LYS 6 16.791 -0.550 8.968 37 HE2 LYS 6 HE2 LYS 6 15.797 -2.170 7.051 38 HE3 LYS 6 HE3 LYS 6 17.445 -2.786 7.160 39 HZ1 LYS 6 HZ1 LYS 6 16.761 -2.569 9.746 40 HZ2 LYS 6 HZ2 LYS 6 16.618 -3.989 8.838 41 HZ3 LYS 6 HZ3 LYS 6 15.274 -2.984 9.055 42 H GLY 7 H GLY 7 17.221 4.276 6.320 43 HA2 GLY 7 HA2 GLY 7 19.157 4.482 5.017 44 HA3 GLY 7 HA3 GLY 7 18.724 3.000 4.178 45 H ILE 8 H ILE 8 15.924 4.409 3.994 46 HA ILE 8 HA ILE 8 16.497 5.605 1.397 47 HB ILE 8 HB ILE 8 13.802 5.071 2.646 48 HG12 ILE 8 HG12 ILE 8 15.149 3.000 2.401 49 HG13 ILE 8 HG13 ILE 8 13.737 3.019 1.350 50 HG21 ILE 8 HG21 ILE 8 14.735 6.078 0.023 51 HG22 ILE 8 HG22 ILE 8 13.365 4.969 0.021 52 HG23 ILE 8 HG23 ILE 8 13.280 6.473 0.938 53 HD11 ILE 8 HD11 ILE 8 15.025 2.669 -0.407 54 HD12 ILE 8 HD12 ILE 8 15.938 4.138 -0.061 55 HD13 ILE 8 HD13 ILE 8 16.433 2.604 0.654 56 H LYS 9 H LYS 9 16.481 7.723 1.023 57 HA LYS 9 HA LYS 9 16.441 9.654 2.991 58 HB2 LYS 9 HB2 LYS 9 15.736 9.953 0.066 59 HB3 LYS 9 HB3 LYS 9 16.089 11.291 1.151 60 HG2 LYS 9 HG2 LYS 9 18.175 9.279 1.190 61 HG3 LYS 9 HG3 LYS 9 17.898 9.931 -0.427 62 HD2 LYS 9 HD2 LYS 9 17.955 12.234 0.744 63 HD3 LYS 9 HD3 LYS 9 18.724 11.364 2.073 64 HE2 LYS 9 HE2 LYS 9 20.237 10.441 0.109 65 HE3 LYS 9 HE3 LYS 9 19.730 11.941 -0.666 66 HZ1 LYS 9 HZ1 LYS 9 21.854 11.905 0.781 67 HZ2 LYS 9 HZ2 LYS 9 20.778 12.001 2.082 68 HZ3 LYS 9 HZ3 LYS 9 20.791 13.216 0.906 69 H CYS 10 H CYS 10 14.928 10.973 3.905 70 HA CYS 10 HA CYS 10 12.117 10.475 3.172 71 HB2 CYS 10 HB2 CYS 10 11.469 10.503 5.447 72 HB3 CYS 10 HB3 CYS 10 12.896 9.474 5.385 73 H ASN 11 H ASN 11 14.107 12.603 2.417 74 HA ASN 11 HA ASN 11 13.586 15.023 3.681 75 HB2 ASN 11 HB2 ASN 11 14.531 14.223 0.976 76 HB3 ASN 11 HB3 ASN 11 13.989 15.886 1.180 77 HD21 ASN 11 HD21 ASN 11 14.818 16.603 3.593 78 HD22 ASN 11 HD22 ASN 11 16.538 16.496 3.728 79 H ASP 12 H ASP 12 11.610 13.158 1.548 80 HA ASP 12 HA ASP 12 9.484 15.149 1.813 81 HB2 ASP 12 HB2 ASP 12 10.783 15.210 -0.474 82 HB3 ASP 12 HB3 ASP 12 9.808 13.788 -0.832 83 H ILE 13 H ILE 13 10.362 11.885 0.739 84 HA ILE 13 HA ILE 13 7.690 10.880 0.957 85 HB ILE 13 HB ILE 13 9.420 9.904 -0.560 86 HG12 ILE 13 HG12 ILE 13 8.307 7.918 1.431 87 HG13 ILE 13 HG13 ILE 13 7.349 8.690 0.171 88 HG21 ILE 13 HG21 ILE 13 10.536 8.669 1.952 89 HG22 ILE 13 HG22 ILE 13 11.122 8.455 0.303 90 HG23 ILE 13 HG23 ILE 13 11.275 10.022 1.097 91 HD11 ILE 13 HD11 ILE 13 7.860 6.844 -0.986 92 HD12 ILE 13 HD12 ILE 13 9.382 7.682 -1.291 93 HD13 ILE 13 HD13 ILE 13 9.277 6.488 0.003 94 H HIS 14 H HIS 14 6.782 9.628 2.553 95 HA HIS 14 HA HIS 14 8.067 9.820 5.171 96 HB2 HIS 14 HB2 HIS 14 5.848 9.236 6.070 97 HB3 HIS 14 HB3 HIS 14 5.771 10.637 5.007 98 HD1 HIS 14 HD1 HIS 14 3.829 10.567 3.497 99 HD2 HIS 14 HD2 HIS 14 5.191 6.751 4.419 100 HE1 HIS 14 HE1 HIS 14 2.275 8.991 2.303 101 H CYS 15 H CYS 15 8.126 8.003 6.611 102 HA CYS 15 HA CYS 15 8.707 5.524 5.199 103 HB2 CYS 15 HB2 CYS 15 9.012 5.831 8.160 104 HB3 CYS 15 HB3 CYS 15 9.993 4.908 7.027 105 H CYS 16 H CYS 16 7.863 3.485 5.865 106 HA CYS 16 HA CYS 16 5.083 3.460 6.258 107 HB2 CYS 16 HB2 CYS 16 7.238 1.430 6.115 108 HB3 CYS 16 HB3 CYS 16 5.751 0.931 6.916 109 H SER 17 H SER 17 3.846 2.638 8.023 110 HA SER 17 HA SER 17 4.363 3.771 10.480 111 HB2 SER 17 HB2 SER 17 2.800 1.217 10.364 112 HB3 SER 17 HB3 SER 17 2.452 2.701 11.252 113 HG SER 17 HG SER 17 1.361 2.021 9.042 114 H GLY 18 H GLY 18 6.124 3.434 11.679 115 HA2 GLY 18 HA2 GLY 18 6.802 1.675 13.410 116 HA3 GLY 18 HA3 GLY 18 7.090 0.667 12.000 117 H LEU 19 H LEU 19 7.954 3.379 10.702 118 HA LEU 19 HA LEU 19 10.698 3.298 11.774 119 HB2 LEU 19 HB2 LEU 19 9.726 3.785 8.965 120 HB3 LEU 19 HB3 LEU 19 11.390 4.041 9.486 121 HG LEU 19 HG LEU 19 9.977 1.380 9.605 122 HD11 LEU 19 HD11 LEU 19 10.182 2.146 7.290 123 HD12 LEU 19 HD12 LEU 19 11.249 0.782 7.621 124 HD13 LEU 19 HD13 LEU 19 11.908 2.415 7.533 125 HD21 LEU 19 HD21 LEU 19 12.060 0.454 10.131 126 HD22 LEU 19 HD22 LEU 19 11.961 1.903 11.133 127 HD23 LEU 19 HD23 LEU 19 12.930 1.914 9.659 128 H LYS 20 H LYS 20 11.882 5.259 11.836 129 HA LYS 20 HA LYS 20 10.159 7.634 12.021 130 HB2 LYS 20 HB2 LYS 20 12.819 7.014 13.316 131 HB3 LYS 20 HB3 LYS 20 11.994 8.562 13.447 132 HG2 LYS 20 HG2 LYS 20 10.594 6.047 14.245 133 HG3 LYS 20 HG3 LYS 20 11.749 6.814 15.339 134 HD2 LYS 20 HD2 LYS 20 10.464 8.772 15.499 135 HD3 LYS 20 HD3 LYS 20 9.508 8.363 14.072 136 HE2 LYS 20 HE2 LYS 20 8.004 7.326 15.336 137 HE3 LYS 20 HE3 LYS 20 9.251 6.279 16.013 138 HZ1 LYS 20 HZ1 LYS 20 8.405 7.357 17.855 139 HZ2 LYS 20 HZ2 LYS 20 8.220 8.836 17.055 140 HZ3 LYS 20 HZ3 LYS 20 9.764 8.298 17.492 141 H CYS 21 H CYS 21 10.758 9.574 11.068 142 HA CYS 21 HA CYS 21 12.628 9.301 8.840 143 HB2 CYS 21 HB2 CYS 21 10.523 10.149 8.149 144 HB3 CYS 21 HB3 CYS 21 10.459 11.292 9.486 145 H ASP 22 H ASP 22 14.645 9.571 9.703 146 HA ASP 22 HA ASP 22 15.360 11.449 11.662 147 HB2 ASP 22 HB2 ASP 22 16.654 9.388 10.626 148 HB3 ASP 22 HB3 ASP 22 17.339 10.627 9.578 149 H SER 23 H SER 23 14.860 13.545 11.385 150 HA SER 23 HA SER 23 14.996 14.870 8.859 151 HB2 SER 23 HB2 SER 23 14.820 16.935 10.544 152 HB3 SER 23 HB3 SER 23 13.431 15.914 10.172 153 HG SER 23 HG SER 23 13.371 15.507 12.222 154 H LYS 24 H LYS 24 17.310 14.049 11.167 155 HA LYS 24 HA LYS 24 19.070 16.295 10.675 156 HB2 LYS 24 HB2 LYS 24 19.434 13.729 12.227 157 HB3 LYS 24 HB3 LYS 24 20.672 14.971 12.089 158 HG2 LYS 24 HG2 LYS 24 18.354 16.300 12.920 159 HG3 LYS 24 HG3 LYS 24 18.434 14.818 13.874 160 HD2 LYS 24 HD2 LYS 24 19.630 16.487 15.076 161 HD3 LYS 24 HD3 LYS 24 20.829 15.396 14.379 162 HE2 LYS 24 HE2 LYS 24 21.817 17.226 13.571 163 HE3 LYS 24 HE3 LYS 24 20.486 17.302 12.417 164 HZ1 LYS 24 HZ1 LYS 24 19.320 18.570 14.340 165 HZ2 LYS 24 HZ2 LYS 24 20.421 19.381 13.343 166 HZ3 LYS 24 HZ3 LYS 24 20.900 18.853 14.877 167 H ARG 25 H ARG 25 18.904 12.859 9.835 168 HA ARG 25 HA ARG 25 21.190 13.207 8.029 169 HB2 ARG 25 HB2 ARG 25 19.807 10.627 8.768 170 HB3 ARG 25 HB3 ARG 25 21.369 10.816 7.983 171 HG2 ARG 25 HG2 ARG 25 21.533 12.227 10.404 172 HG3 ARG 25 HG3 ARG 25 20.745 10.691 10.770 173 HD2 ARG 25 HD2 ARG 25 23.116 10.605 8.997 174 HD3 ARG 25 HD3 ARG 25 23.400 10.982 10.695 175 HE ARG 25 HE ARG 25 21.720 8.718 10.449 176 HH11 ARG 25 HH11 ARG 25 25.033 9.729 10.098 177 HH12 ARG 25 HH12 ARG 25 25.685 8.160 10.438 178 HH21 ARG 25 HH21 ARG 25 22.566 6.647 10.898 179 HH22 ARG 25 HH22 ARG 25 24.281 6.408 10.892 180 H LYS 26 H LYS 26 17.982 13.603 7.881 181 HA LYS 26 HA LYS 26 16.391 13.549 6.250 182 HB2 LYS 26 HB2 LYS 26 18.755 13.524 4.368 183 HB3 LYS 26 HB3 LYS 26 17.129 14.097 4.018 184 HG2 LYS 26 HG2 LYS 26 17.387 15.984 5.406 185 HG3 LYS 26 HG3 LYS 26 18.854 15.335 6.142 186 HD2 LYS 26 HD2 LYS 26 19.773 15.385 3.707 187 HD3 LYS 26 HD3 LYS 26 18.462 16.534 3.429 188 HE2 LYS 26 HE2 LYS 26 19.962 17.106 5.854 189 HE3 LYS 26 HE3 LYS 26 20.976 17.122 4.412 190 HZ1 LYS 26 HZ1 LYS 26 18.425 18.618 4.627 191 HZ2 LYS 26 HZ2 LYS 26 19.601 18.758 3.420 192 HZ3 LYS 26 HZ3 LYS 26 19.933 19.294 4.989 193 H VAL 27 H VAL 27 16.990 11.040 7.296 194 HA VAL 27 HA VAL 27 16.171 9.359 5.074 195 HB VAL 27 HB VAL 27 17.828 7.578 5.708 196 HG11 VAL 27 HG11 VAL 27 19.689 8.589 4.436 197 HG12 VAL 27 HG12 VAL 27 18.117 8.858 3.679 198 HG13 VAL 27 HG13 VAL 27 18.900 10.160 4.577 199 HG21 VAL 27 HG21 VAL 27 19.485 7.902 7.210 200 HG22 VAL 27 HG22 VAL 27 19.662 9.611 6.810 201 HG23 VAL 27 HG23 VAL 27 18.356 9.084 7.873 202 H CYS 28 H CYS 28 15.440 7.209 5.805 203 HA CYS 28 HA CYS 28 13.975 7.459 8.283 204 HB2 CYS 28 HB2 CYS 28 14.038 5.282 6.185 205 HB3 CYS 28 HB3 CYS 28 12.986 5.265 7.597 206 H VAL 29 H VAL 29 14.241 6.273 10.125 207 HA VAL 29 HA VAL 29 16.438 4.323 10.198 208 HB VAL 29 HB VAL 29 17.027 5.241 12.489 209 HG11 VAL 29 HG11 VAL 29 18.508 5.572 10.631 210 HG12 VAL 29 HG12 VAL 29 17.526 6.908 10.027 211 HG13 VAL 29 HG13 VAL 29 18.413 7.079 11.542 212 HG21 VAL 29 HG21 VAL 29 16.321 7.348 13.168 213 HG22 VAL 29 HG22 VAL 29 15.778 7.798 11.551 214 HG23 VAL 29 HG23 VAL 29 14.851 6.637 12.501 215 H LYS 30 H LYS 30 16.411 3.063 12.296 216 HA LYS 30 HA LYS 30 13.802 1.960 12.660 217 HB2 LYS 30 HB2 LYS 30 16.085 0.763 12.777 218 HB3 LYS 30 HB3 LYS 30 16.170 1.379 14.422 219 HG2 LYS 30 HG2 LYS 30 13.846 0.280 14.700 220 HG3 LYS 30 HG3 LYS 30 14.290 -0.627 13.252 221 HD2 LYS 30 HD2 LYS 30 16.529 -0.732 14.934 222 HD3 LYS 30 HD3 LYS 30 15.132 -1.008 15.978 223 HE2 LYS 30 HE2 LYS 30 14.642 -2.992 15.015 224 HE3 LYS 30 HE3 LYS 30 15.118 -2.449 13.407 225 HZ1 LYS 30 HZ1 LYS 30 17.129 -3.329 13.653 226 HZ2 LYS 30 HZ2 LYS 30 16.533 -4.132 15.017 227 HZ3 LYS 30 HZ3 LYS 30 17.343 -2.657 15.190 228 H GLY 31 H GLY 31 12.303 2.443 14.136 229 HA2 GLY 31 HA2 GLY 31 12.893 3.351 16.761 230 HA3 GLY 31 HA3 GLY 31 12.410 4.701 15.746 Start of MODEL 16 1 H1 GLY 1 H GLY 1 0.346 0.021 -1.088 2 HA2 GLY 1 HA2 GLY 1 1.402 1.911 -0.074 3 HA3 GLY 1 HA3 GLY 1 2.008 0.517 0.807 4 H TYR 2 H TYR 2 4.093 -0.317 0.275 5 HA TYR 2 HA TYR 2 6.327 -0.050 -0.074 6 HB2 TYR 2 HB2 TYR 2 5.751 -0.407 -2.386 7 HB3 TYR 2 HB3 TYR 2 5.253 1.271 -2.572 8 HD1 TYR 2 HD1 TYR 2 8.314 -0.338 -1.144 9 HD2 TYR 2 HD2 TYR 2 6.693 2.364 -4.003 10 HE1 TYR 2 HE1 TYR 2 10.589 0.249 -1.870 11 HE2 TYR 2 HE2 TYR 2 8.964 2.958 -4.738 12 HH TYR 2 HH TYR 2 11.204 2.890 -4.032 13 H CYS 3 H CYS 3 6.625 1.320 1.731 14 HA CYS 3 HA CYS 3 6.731 4.198 1.181 15 HB2 CYS 3 HB2 CYS 3 7.300 3.150 3.901 16 HB3 CYS 3 HB3 CYS 3 6.388 4.574 3.411 17 H ALA 4 H ALA 4 8.590 5.110 2.884 18 HA ALA 4 HA ALA 4 11.056 4.223 1.633 19 HB1 ALA 4 HB1 ALA 4 10.294 6.587 3.308 20 HB2 ALA 4 HB2 ALA 4 11.987 6.196 3.002 21 HB3 ALA 4 HB3 ALA 4 10.905 6.544 1.654 22 H THR 5 H THR 5 12.048 2.528 2.515 23 HA THR 5 HA THR 5 11.824 1.947 5.339 24 HB THR 5 HB THR 5 13.493 0.065 4.651 25 HG1 THR 5 HG1 THR 5 12.409 0.460 2.086 26 HG21 THR 5 HG21 THR 5 11.198 -0.725 3.202 27 HG22 THR 5 HG22 THR 5 10.650 0.341 4.496 28 HG23 THR 5 HG23 THR 5 11.604 -1.092 4.878 29 H LYS 6 H LYS 6 13.975 1.173 6.408 30 HA LYS 6 HA LYS 6 15.522 3.341 7.041 31 HB2 LYS 6 HB2 LYS 6 16.957 1.881 8.177 32 HB3 LYS 6 HB3 LYS 6 15.426 1.017 8.140 33 HG2 LYS 6 HG2 LYS 6 16.228 -0.294 6.226 34 HG3 LYS 6 HG3 LYS 6 17.774 0.554 6.311 35 HD2 LYS 6 HD2 LYS 6 18.367 -0.465 8.310 36 HD3 LYS 6 HD3 LYS 6 16.696 -0.857 8.721 37 HE2 LYS 6 HE2 LYS 6 17.505 -2.111 6.242 38 HE3 LYS 6 HE3 LYS 6 18.583 -2.548 7.567 39 HZ1 LYS 6 HZ1 LYS 6 16.795 -3.403 8.810 40 HZ2 LYS 6 HZ2 LYS 6 16.588 -4.012 7.245 41 HZ3 LYS 6 HZ3 LYS 6 15.634 -2.722 7.783 42 H GLY 7 H GLY 7 17.318 4.334 6.265 43 HA2 GLY 7 HA2 GLY 7 19.258 4.570 4.960 44 HA3 GLY 7 HA3 GLY 7 18.817 3.113 4.081 45 H ILE 8 H ILE 8 16.011 4.412 3.898 46 HA ILE 8 HA ILE 8 16.553 5.731 1.363 47 HB ILE 8 HB ILE 8 13.867 5.139 2.605 48 HG12 ILE 8 HG12 ILE 8 15.229 3.083 2.328 49 HG13 ILE 8 HG13 ILE 8 13.821 3.109 1.272 50 HG21 ILE 8 HG21 ILE 8 13.818 6.810 0.836 51 HG22 ILE 8 HG22 ILE 8 14.686 5.715 -0.239 52 HG23 ILE 8 HG23 ILE 8 13.056 5.313 0.300 53 HD11 ILE 8 HD11 ILE 8 16.649 3.746 0.467 54 HD12 ILE 8 HD12 ILE 8 15.767 2.261 0.109 55 HD13 ILE 8 HD13 ILE 8 15.241 3.790 -0.594 56 H LYS 9 H LYS 9 16.422 7.857 1.009 57 HA LYS 9 HA LYS 9 16.434 9.745 3.019 58 HB2 LYS 9 HB2 LYS 9 15.461 10.199 0.193 59 HB3 LYS 9 HB3 LYS 9 16.096 11.417 1.290 60 HG2 LYS 9 HG2 LYS 9 17.979 9.264 0.963 61 HG3 LYS 9 HG3 LYS 9 17.510 9.938 -0.599 62 HD2 LYS 9 HD2 LYS 9 18.139 11.847 1.585 63 HD3 LYS 9 HD3 LYS 9 19.485 10.964 0.862 64 HE2 LYS 9 HE2 LYS 9 17.493 12.248 -0.939 65 HE3 LYS 9 HE3 LYS 9 18.663 13.276 -0.114 66 HZ1 LYS 9 HZ1 LYS 9 20.447 12.128 -1.123 67 HZ2 LYS 9 HZ2 LYS 9 19.345 12.463 -2.362 68 HZ3 LYS 9 HZ3 LYS 9 19.440 10.904 -1.713 69 H CYS 10 H CYS 10 14.937 11.004 4.037 70 HA CYS 10 HA CYS 10 12.106 10.424 3.456 71 HB2 CYS 10 HB2 CYS 10 11.590 10.326 5.730 72 HB3 CYS 10 HB3 CYS 10 13.142 9.499 5.646 73 H ASN 11 H ASN 11 14.164 12.662 2.814 74 HA ASN 11 HA ASN 11 13.342 15.021 4.086 75 HB2 ASN 11 HB2 ASN 11 15.378 15.024 2.821 76 HB3 ASN 11 HB3 ASN 11 14.535 14.544 1.351 77 HD21 ASN 11 HD21 ASN 11 14.233 17.082 3.818 78 HD22 ASN 11 HD22 ASN 11 14.052 18.384 2.696 79 H ASP 12 H ASP 12 11.780 13.074 1.746 80 HA ASP 12 HA ASP 12 9.629 15.057 1.546 81 HB2 ASP 12 HB2 ASP 12 9.379 14.151 -0.902 82 HB3 ASP 12 HB3 ASP 12 10.539 15.429 -0.550 83 H ILE 13 H ILE 13 10.518 11.728 0.623 84 HA ILE 13 HA ILE 13 7.820 10.792 0.818 85 HB ILE 13 HB ILE 13 9.521 9.763 -0.684 86 HG12 ILE 13 HG12 ILE 13 8.747 7.518 1.074 87 HG13 ILE 13 HG13 ILE 13 7.435 8.591 0.600 88 HG21 ILE 13 HG21 ILE 13 11.385 9.870 0.962 89 HG22 ILE 13 HG22 ILE 13 10.630 8.538 1.835 90 HG23 ILE 13 HG23 ILE 13 11.206 8.297 0.186 91 HD11 ILE 13 HD11 ILE 13 9.261 7.621 -1.521 92 HD12 ILE 13 HD12 ILE 13 8.104 6.483 -0.830 93 HD13 ILE 13 HD13 ILE 13 7.534 7.973 -1.581 94 H HIS 14 H HIS 14 6.890 9.497 2.388 95 HA HIS 14 HA HIS 14 8.117 9.712 5.032 96 HB2 HIS 14 HB2 HIS 14 5.327 8.780 4.341 97 HB3 HIS 14 HB3 HIS 14 5.928 9.253 5.927 98 HD1 HIS 14 HD1 HIS 14 4.075 10.540 3.147 99 HD2 HIS 14 HD2 HIS 14 6.733 12.141 5.910 100 HE1 HIS 14 HE1 HIS 14 3.690 13.024 3.089 101 H CYS 15 H CYS 15 8.200 7.907 6.471 102 HA CYS 15 HA CYS 15 8.809 5.424 5.078 103 HB2 CYS 15 HB2 CYS 15 9.105 5.752 8.037 104 HB3 CYS 15 HB3 CYS 15 10.100 4.836 6.910 105 H CYS 16 H CYS 16 8.002 3.376 5.795 106 HA CYS 16 HA CYS 16 5.215 3.325 6.168 107 HB2 CYS 16 HB2 CYS 16 7.394 1.320 6.051 108 HB3 CYS 16 HB3 CYS 16 5.915 0.812 6.859 109 H SER 17 H SER 17 3.986 2.495 7.940 110 HA SER 17 HA SER 17 4.475 3.668 10.383 111 HB2 SER 17 HB2 SER 17 2.760 1.333 9.578 112 HB3 SER 17 HB3 SER 17 2.851 1.842 11.264 113 HG SER 17 HG SER 17 1.548 2.995 9.164 114 H GLY 18 H GLY 18 6.172 3.370 11.669 115 HA2 GLY 18 HA2 GLY 18 6.887 1.635 13.392 116 HA3 GLY 18 HA3 GLY 18 7.223 0.632 11.989 117 H LEU 19 H LEU 19 8.067 3.281 10.634 118 HA LEU 19 HA LEU 19 10.790 3.285 11.755 119 HB2 LEU 19 HB2 LEU 19 9.824 3.802 8.950 120 HB3 LEU 19 HB3 LEU 19 11.482 4.068 9.485 121 HG LEU 19 HG LEU 19 10.102 1.389 9.556 122 HD11 LEU 19 HD11 LEU 19 12.020 2.477 7.500 123 HD12 LEU 19 HD12 LEU 19 10.297 2.198 7.253 124 HD13 LEU 19 HD13 LEU 19 11.374 0.837 7.561 125 HD21 LEU 19 HD21 LEU 19 13.051 1.898 9.574 126 HD22 LEU 19 HD22 LEU 19 12.158 0.482 10.129 127 HD23 LEU 19 HD23 LEU 19 12.118 1.975 11.068 128 H LYS 20 H LYS 20 11.957 5.285 11.763 129 HA LYS 20 HA LYS 20 10.181 7.613 12.037 130 HB2 LYS 20 HB2 LYS 20 12.701 6.773 13.403 131 HB3 LYS 20 HB3 LYS 20 12.353 8.491 13.263 132 HG2 LYS 20 HG2 LYS 20 10.252 6.664 14.322 133 HG3 LYS 20 HG3 LYS 20 11.593 7.144 15.364 134 HD2 LYS 20 HD2 LYS 20 10.978 9.374 15.348 135 HD3 LYS 20 HD3 LYS 20 10.085 9.222 13.832 136 HE2 LYS 20 HE2 LYS 20 8.193 8.840 14.932 137 HE3 LYS 20 HE3 LYS 20 8.931 7.507 15.819 138 HZ1 LYS 20 HZ1 LYS 20 8.975 10.379 16.564 139 HZ2 LYS 20 HZ2 LYS 20 9.855 9.179 17.367 140 HZ3 LYS 20 HZ3 LYS 20 8.164 9.131 17.369 141 H CYS 21 H CYS 21 10.769 9.613 11.154 142 HA CYS 21 HA CYS 21 12.519 9.399 8.824 143 HB2 CYS 21 HB2 CYS 21 10.371 10.285 8.298 144 HB3 CYS 21 HB3 CYS 21 10.430 11.414 9.648 145 H ASP 22 H ASP 22 14.570 9.580 9.673 146 HA ASP 22 HA ASP 22 15.406 11.393 11.628 147 HB2 ASP 22 HB2 ASP 22 16.626 9.359 10.472 148 HB3 ASP 22 HB3 ASP 22 17.264 10.617 9.417 149 H SER 23 H SER 23 14.869 13.496 11.432 150 HA SER 23 HA SER 23 14.953 14.907 8.948 151 HB2 SER 23 HB2 SER 23 13.359 15.658 10.557 152 HB3 SER 23 HB3 SER 23 14.592 15.806 11.809 153 HG SER 23 HG SER 23 15.307 17.633 10.919 154 H LYS 24 H LYS 24 17.304 14.024 11.197 155 HA LYS 24 HA LYS 24 19.045 16.295 10.742 156 HB2 LYS 24 HB2 LYS 24 19.213 13.782 12.365 157 HB3 LYS 24 HB3 LYS 24 20.678 14.691 12.018 158 HG2 LYS 24 HG2 LYS 24 18.423 16.277 13.042 159 HG3 LYS 24 HG3 LYS 24 19.110 15.104 14.169 160 HD2 LYS 24 HD2 LYS 24 21.102 16.197 14.304 161 HD3 LYS 24 HD3 LYS 24 21.014 16.788 12.642 162 HE2 LYS 24 HE2 LYS 24 20.620 18.757 13.683 163 HE3 LYS 24 HE3 LYS 24 18.965 18.150 13.703 164 HZ1 LYS 24 HZ1 LYS 24 19.712 17.122 15.949 165 HZ2 LYS 24 HZ2 LYS 24 19.273 18.754 15.879 166 HZ3 LYS 24 HZ3 LYS 24 20.907 18.318 15.902 167 H ARG 25 H ARG 25 18.896 12.874 9.837 168 HA ARG 25 HA ARG 25 21.156 13.276 8.011 169 HB2 ARG 25 HB2 ARG 25 19.798 10.735 8.930 170 HB3 ARG 25 HB3 ARG 25 21.164 10.805 7.825 171 HG2 ARG 25 HG2 ARG 25 22.172 12.206 9.881 172 HG3 ARG 25 HG3 ARG 25 21.071 11.133 10.749 173 HD2 ARG 25 HD2 ARG 25 22.117 9.217 9.516 174 HD3 ARG 25 HD3 ARG 25 23.314 10.353 8.895 175 HE ARG 25 HE ARG 25 23.199 9.230 11.533 176 HH11 ARG 25 HH11 ARG 25 24.289 11.937 9.633 177 HH12 ARG 25 HH12 ARG 25 25.554 12.368 10.736 178 HH21 ARG 25 HH21 ARG 25 24.861 9.788 12.992 179 HH22 ARG 25 HH22 ARG 25 25.879 11.145 12.645 180 H LYS 26 H LYS 26 17.946 13.654 7.906 181 HA LYS 26 HA LYS 26 16.333 13.607 6.297 182 HB2 LYS 26 HB2 LYS 26 18.841 13.908 4.655 183 HB3 LYS 26 HB3 LYS 26 17.241 13.935 3.927 184 HG2 LYS 26 HG2 LYS 26 16.636 15.890 5.149 185 HG3 LYS 26 HG3 LYS 26 18.104 15.799 6.125 186 HD2 LYS 26 HD2 LYS 26 18.924 15.817 3.429 187 HD3 LYS 26 HD3 LYS 26 17.691 17.070 3.591 188 HE2 LYS 26 HE2 LYS 26 19.724 16.948 5.730 189 HE3 LYS 26 HE3 LYS 26 20.295 17.459 4.142 190 HZ1 LYS 26 HZ1 LYS 26 19.008 19.334 4.181 191 HZ2 LYS 26 HZ2 LYS 26 19.371 19.190 5.827 192 HZ3 LYS 26 HZ3 LYS 26 17.865 18.684 5.246 193 H VAL 27 H VAL 27 16.896 11.094 7.262 194 HA VAL 27 HA VAL 27 16.158 9.461 4.975 195 HB VAL 27 HB VAL 27 17.791 7.664 5.653 196 HG11 VAL 27 HG11 VAL 27 19.689 8.691 4.444 197 HG12 VAL 27 HG12 VAL 27 18.139 8.952 3.640 198 HG13 VAL 27 HG13 VAL 27 18.885 10.256 4.566 199 HG21 VAL 27 HG21 VAL 27 18.248 9.130 7.846 200 HG22 VAL 27 HG22 VAL 27 19.425 7.993 7.189 201 HG23 VAL 27 HG23 VAL 27 19.567 9.714 6.831 202 H CYS 28 H CYS 28 15.462 7.259 5.657 203 HA CYS 28 HA CYS 28 13.877 7.468 8.070 204 HB2 CYS 28 HB2 CYS 28 14.039 5.339 5.929 205 HB3 CYS 28 HB3 CYS 28 12.944 5.268 7.305 206 H VAL 29 H VAL 29 14.028 6.178 9.875 207 HA VAL 29 HA VAL 29 16.211 4.229 10.007 208 HB VAL 29 HB VAL 29 16.816 5.142 12.290 209 HG11 VAL 29 HG11 VAL 29 18.495 6.448 11.410 210 HG12 VAL 29 HG12 VAL 29 17.986 5.539 9.985 211 HG13 VAL 29 HG13 VAL 29 17.434 7.198 10.218 212 HG21 VAL 29 HG21 VAL 29 14.741 6.548 12.463 213 HG22 VAL 29 HG22 VAL 29 16.244 7.381 12.859 214 HG23 VAL 29 HG23 VAL 29 15.474 7.648 11.295 215 H LYS 30 H LYS 30 16.143 3.167 12.308 216 HA LYS 30 HA LYS 30 13.617 1.903 12.542 217 HB2 LYS 30 HB2 LYS 30 15.936 0.964 13.119 218 HB3 LYS 30 HB3 LYS 30 15.775 1.829 14.642 219 HG2 LYS 30 HG2 LYS 30 14.340 0.334 15.481 220 HG3 LYS 30 HG3 LYS 30 13.466 0.167 13.957 221 HD2 LYS 30 HD2 LYS 30 15.481 -1.163 13.138 222 HD3 LYS 30 HD3 LYS 30 15.990 -1.217 14.827 223 HE2 LYS 30 HE2 LYS 30 14.801 -3.184 14.626 224 HE3 LYS 30 HE3 LYS 30 13.573 -2.082 15.246 225 HZ1 LYS 30 HZ1 LYS 30 13.934 -2.594 12.352 226 HZ2 LYS 30 HZ2 LYS 30 12.617 -1.865 13.124 227 HZ3 LYS 30 HZ3 LYS 30 12.898 -3.522 13.316 228 H GLY 31 H GLY 31 11.957 2.197 13.948 229 HA2 GLY 31 HA2 GLY 31 12.116 3.653 16.364 230 HA3 GLY 31 HA3 GLY 31 11.515 4.706 15.091 Start of MODEL 17 1 H1 GLY 1 H GLY 1 2.149 -1.999 -0.273 2 HA2 GLY 1 HA2 GLY 1 3.211 -0.563 1.781 3 HA3 GLY 1 HA3 GLY 1 4.228 -1.995 1.720 4 H TYR 2 H TYR 2 4.402 1.039 0.960 5 HA TYR 2 HA TYR 2 6.324 0.660 -1.112 6 HB2 TYR 2 HB2 TYR 2 3.960 0.672 -2.236 7 HB3 TYR 2 HB3 TYR 2 4.043 2.409 -1.964 8 HD1 TYR 2 HD1 TYR 2 5.285 3.798 -3.403 9 HD2 TYR 2 HD2 TYR 2 5.781 -0.423 -3.614 10 HE1 TYR 2 HE1 TYR 2 6.608 4.062 -5.459 11 HE2 TYR 2 HE2 TYR 2 7.107 -0.170 -5.670 12 HH TYR 2 HH TYR 2 7.980 3.014 -6.914 13 H CYS 3 H CYS 3 6.367 1.767 1.469 14 HA CYS 3 HA CYS 3 6.567 4.658 1.026 15 HB2 CYS 3 HB2 CYS 3 7.089 3.493 3.708 16 HB3 CYS 3 HB3 CYS 3 6.224 4.961 3.268 17 H ALA 4 H ALA 4 8.445 5.442 2.776 18 HA ALA 4 HA ALA 4 10.888 4.532 1.497 19 HB1 ALA 4 HB1 ALA 4 10.194 6.845 3.271 20 HB2 ALA 4 HB2 ALA 4 11.874 6.414 2.949 21 HB3 ALA 4 HB3 ALA 4 10.806 6.854 1.617 22 H THR 5 H THR 5 11.822 2.770 2.310 23 HA THR 5 HA THR 5 11.567 2.079 5.107 24 HB THR 5 HB THR 5 13.178 0.174 4.342 25 HG1 THR 5 HG1 THR 5 13.811 0.512 2.342 26 HG21 THR 5 HG21 THR 5 10.859 -0.482 2.864 27 HG22 THR 5 HG22 THR 5 10.346 0.546 4.202 28 HG23 THR 5 HG23 THR 5 11.254 -0.932 4.522 29 H LYS 6 H LYS 6 13.678 1.203 6.160 30 HA LYS 6 HA LYS 6 15.298 3.292 6.872 31 HB2 LYS 6 HB2 LYS 6 16.670 1.745 7.971 32 HB3 LYS 6 HB3 LYS 6 15.109 0.939 7.895 33 HG2 LYS 6 HG2 LYS 6 15.877 -0.342 5.950 34 HG3 LYS 6 HG3 LYS 6 17.450 0.450 6.065 35 HD2 LYS 6 HD2 LYS 6 18.024 -0.676 7.994 36 HD3 LYS 6 HD3 LYS 6 16.343 -0.957 8.454 37 HE2 LYS 6 HE2 LYS 6 16.135 -2.564 6.596 38 HE3 LYS 6 HE3 LYS 6 17.836 -2.312 6.209 39 HZ1 LYS 6 HZ1 LYS 6 18.366 -3.093 8.480 40 HZ2 LYS 6 HZ2 LYS 6 17.631 -4.277 7.522 41 HZ3 LYS 6 HZ3 LYS 6 16.733 -3.473 8.708 42 H GLY 7 H GLY 7 17.135 4.242 6.139 43 HA2 GLY 7 HA2 GLY 7 19.089 4.453 4.853 44 HA3 GLY 7 HA3 GLY 7 18.609 3.035 3.932 45 H ILE 8 H ILE 8 15.848 4.444 3.774 46 HA ILE 8 HA ILE 8 16.454 5.808 1.276 47 HB ILE 8 HB ILE 8 13.740 5.270 2.482 48 HG12 ILE 8 HG12 ILE 8 15.032 3.178 2.156 49 HG13 ILE 8 HG13 ILE 8 13.640 3.282 1.085 50 HG21 ILE 8 HG21 ILE 8 13.498 6.900 0.823 51 HG22 ILE 8 HG22 ILE 8 14.696 6.142 -0.224 52 HG23 ILE 8 HG23 ILE 8 13.119 5.386 0.002 53 HD11 ILE 8 HD11 ILE 8 16.350 2.851 0.419 54 HD12 ILE 8 HD12 ILE 8 14.956 2.959 -0.656 55 HD13 ILE 8 HD13 ILE 8 15.872 4.411 -0.251 56 H LYS 9 H LYS 9 16.400 7.946 0.983 57 HA LYS 9 HA LYS 9 16.451 9.774 3.048 58 HB2 LYS 9 HB2 LYS 9 15.518 10.361 0.234 59 HB3 LYS 9 HB3 LYS 9 16.219 11.504 1.372 60 HG2 LYS 9 HG2 LYS 9 18.011 9.307 1.015 61 HG3 LYS 9 HG3 LYS 9 17.538 9.948 -0.560 62 HD2 LYS 9 HD2 LYS 9 17.989 12.249 0.756 63 HD3 LYS 9 HD3 LYS 9 19.120 11.193 1.603 64 HE2 LYS 9 HE2 LYS 9 20.171 10.583 -0.487 65 HE3 LYS 9 HE3 LYS 9 18.981 11.517 -1.392 66 HZ1 LYS 9 HZ1 LYS 9 21.077 12.551 0.432 67 HZ2 LYS 9 HZ2 LYS 9 19.811 13.507 -0.157 68 HZ3 LYS 9 HZ3 LYS 9 20.927 12.826 -1.231 69 H CYS 10 H CYS 10 14.985 11.049 4.089 70 HA CYS 10 HA CYS 10 12.144 10.581 3.458 71 HB2 CYS 10 HB2 CYS 10 11.598 10.453 5.725 72 HB3 CYS 10 HB3 CYS 10 13.117 9.567 5.633 73 H ASN 11 H ASN 11 14.268 12.764 2.878 74 HA ASN 11 HA ASN 11 13.524 15.118 4.203 75 HB2 ASN 11 HB2 ASN 11 15.541 15.195 2.982 76 HB3 ASN 11 HB3 ASN 11 14.776 14.590 1.516 77 HD21 ASN 11 HD21 ASN 11 14.532 17.309 3.780 78 HD22 ASN 11 HD22 ASN 11 14.266 18.513 2.570 79 H ASP 12 H ASP 12 11.898 13.278 1.821 80 HA ASP 12 HA ASP 12 9.827 15.350 1.649 81 HB2 ASP 12 HB2 ASP 12 11.315 15.287 -0.425 82 HB3 ASP 12 HB3 ASP 12 10.623 13.699 -0.746 83 H ILE 13 H ILE 13 10.521 12.000 0.630 84 HA ILE 13 HA ILE 13 7.788 11.200 0.916 85 HB ILE 13 HB ILE 13 9.335 10.126 -0.697 86 HG12 ILE 13 HG12 ILE 13 8.609 7.805 -0.249 87 HG13 ILE 13 HG13 ILE 13 8.160 8.272 1.388 88 HG21 ILE 13 HG21 ILE 13 10.572 8.834 1.730 89 HG22 ILE 13 HG22 ILE 13 11.007 8.560 0.044 90 HG23 ILE 13 HG23 ILE 13 11.317 10.127 0.790 91 HD11 ILE 13 HD11 ILE 13 6.173 8.946 0.698 92 HD12 ILE 13 HD12 ILE 13 6.898 10.006 -0.512 93 HD13 ILE 13 HD13 ILE 13 6.567 8.318 -0.903 94 H HIS 14 H HIS 14 6.864 9.887 2.480 95 HA HIS 14 HA HIS 14 8.205 9.962 5.076 96 HB2 HIS 14 HB2 HIS 14 5.719 10.688 4.513 97 HB3 HIS 14 HB3 HIS 14 5.407 8.971 4.750 98 HD1 HIS 14 HD1 HIS 14 5.419 8.094 7.130 99 HD2 HIS 14 HD2 HIS 14 6.607 12.065 6.844 100 HE1 HIS 14 HE1 HIS 14 5.494 8.946 9.495 101 H CYS 15 H CYS 15 8.164 8.094 6.481 102 HA CYS 15 HA CYS 15 8.688 5.648 4.991 103 HB2 CYS 15 HB2 CYS 15 8.969 5.836 7.963 104 HB3 CYS 15 HB3 CYS 15 9.942 4.937 6.803 105 H CYS 16 H CYS 16 7.797 3.604 5.625 106 HA CYS 16 HA CYS 16 5.005 3.650 5.972 107 HB2 CYS 16 HB2 CYS 16 7.105 1.566 5.794 108 HB3 CYS 16 HB3 CYS 16 5.599 1.086 6.570 109 H SER 17 H SER 17 3.729 2.792 7.699 110 HA SER 17 HA SER 17 4.233 3.853 10.190 111 HB2 SER 17 HB2 SER 17 2.575 1.376 9.671 112 HB3 SER 17 HB3 SER 17 2.402 2.502 11.016 113 HG SER 17 HG SER 17 2.057 4.113 9.229 114 H GLY 18 H GLY 18 5.967 3.457 11.409 115 HA2 GLY 18 HA2 GLY 18 6.590 1.634 13.096 116 HA3 GLY 18 HA3 GLY 18 6.898 0.671 11.659 117 H LEU 19 H LEU 19 7.824 3.380 10.439 118 HA LEU 19 HA LEU 19 10.545 3.237 11.560 119 HB2 LEU 19 HB2 LEU 19 9.618 3.879 8.766 120 HB3 LEU 19 HB3 LEU 19 11.280 4.069 9.321 121 HG LEU 19 HG LEU 19 9.809 1.438 9.296 122 HD11 LEU 19 HD11 LEU 19 10.035 2.299 7.022 123 HD12 LEU 19 HD12 LEU 19 11.088 0.911 7.292 124 HD13 LEU 19 HD13 LEU 19 11.763 2.540 7.282 125 HD21 LEU 19 HD21 LEU 19 11.819 0.445 9.863 126 HD22 LEU 19 HD22 LEU 19 11.845 1.920 10.830 127 HD23 LEU 19 HD23 LEU 19 12.773 1.829 9.332 128 H LYS 20 H LYS 20 11.784 5.205 11.601 129 HA LYS 20 HA LYS 20 10.079 7.578 11.949 130 HB2 LYS 20 HB2 LYS 20 12.517 6.579 13.337 131 HB3 LYS 20 HB3 LYS 20 12.316 8.320 13.198 132 HG2 LYS 20 HG2 LYS 20 10.063 6.657 14.223 133 HG3 LYS 20 HG3 LYS 20 11.415 7.058 15.284 134 HD2 LYS 20 HD2 LYS 20 10.530 9.390 13.845 135 HD3 LYS 20 HD3 LYS 20 9.179 8.640 14.700 136 HE2 LYS 20 HE2 LYS 20 11.667 8.834 16.248 137 HE3 LYS 20 HE3 LYS 20 10.949 10.383 15.810 138 HZ1 LYS 20 HZ1 LYS 20 10.238 8.949 17.951 139 HZ2 LYS 20 HZ2 LYS 20 9.088 8.416 16.830 140 HZ3 LYS 20 HZ3 LYS 20 9.224 10.065 17.183 141 H CYS 21 H CYS 21 10.736 9.581 11.129 142 HA CYS 21 HA CYS 21 12.506 9.381 8.812 143 HB2 CYS 21 HB2 CYS 21 10.393 10.345 8.285 144 HB3 CYS 21 HB3 CYS 21 10.463 11.429 9.670 145 H ASP 22 H ASP 22 14.553 9.484 9.674 146 HA ASP 22 HA ASP 22 15.417 11.217 11.692 147 HB2 ASP 22 HB2 ASP 22 16.598 9.176 10.554 148 HB3 ASP 22 HB3 ASP 22 17.250 10.398 9.465 149 H SER 23 H SER 23 14.950 13.340 11.544 150 HA SER 23 HA SER 23 15.105 14.808 9.097 151 HB2 SER 23 HB2 SER 23 13.540 15.428 10.904 152 HB3 SER 23 HB3 SER 23 14.908 15.825 11.944 153 HG SER 23 HG SER 23 14.047 17.124 9.587 154 H LYS 24 H LYS 24 17.406 13.792 11.341 155 HA LYS 24 HA LYS 24 19.224 16.016 10.962 156 HB2 LYS 24 HB2 LYS 24 19.269 13.471 12.532 157 HB3 LYS 24 HB3 LYS 24 20.789 14.289 12.190 158 HG2 LYS 24 HG2 LYS 24 20.437 15.677 13.872 159 HG3 LYS 24 HG3 LYS 24 18.930 16.221 13.131 160 HD2 LYS 24 HD2 LYS 24 17.751 14.337 14.182 161 HD3 LYS 24 HD3 LYS 24 19.260 13.830 14.945 162 HE2 LYS 24 HE2 LYS 24 19.288 16.256 15.881 163 HE3 LYS 24 HE3 LYS 24 17.568 16.236 15.495 164 HZ1 LYS 24 HZ1 LYS 24 19.014 14.836 17.582 165 HZ2 LYS 24 HZ2 LYS 24 17.827 13.924 16.795 166 HZ3 LYS 24 HZ3 LYS 24 17.412 15.380 17.551 167 H ARG 25 H ARG 25 18.972 12.629 9.958 168 HA ARG 25 HA ARG 25 21.257 13.010 8.159 169 HB2 ARG 25 HB2 ARG 25 19.810 10.478 8.960 170 HB3 ARG 25 HB3 ARG 25 21.223 10.558 7.917 171 HG2 ARG 25 HG2 ARG 25 22.105 11.888 10.116 172 HG3 ARG 25 HG3 ARG 25 21.022 10.693 10.832 173 HD2 ARG 25 HD2 ARG 25 23.200 10.036 8.856 174 HD3 ARG 25 HD3 ARG 25 23.393 9.941 10.606 175 HE ARG 25 HE ARG 25 22.060 8.059 8.917 176 HH11 ARG 25 HH11 ARG 25 22.130 9.418 12.122 177 HH12 ARG 25 HH12 ARG 25 21.420 8.025 12.869 178 HH21 ARG 25 HH21 ARG 25 21.125 6.220 9.889 179 HH22 ARG 25 HH22 ARG 25 20.850 6.206 11.598 180 H LYS 26 H LYS 26 18.063 13.495 8.043 181 HA LYS 26 HA LYS 26 16.461 13.546 6.422 182 HB2 LYS 26 HB2 LYS 26 18.957 13.737 4.733 183 HB3 LYS 26 HB3 LYS 26 17.335 13.979 4.099 184 HG2 LYS 26 HG2 LYS 26 17.026 15.840 5.690 185 HG3 LYS 26 HG3 LYS 26 18.696 15.626 6.221 186 HD2 LYS 26 HD2 LYS 26 19.502 16.132 3.991 187 HD3 LYS 26 HD3 LYS 26 17.846 16.247 3.392 188 HE2 LYS 26 HE2 LYS 26 18.059 17.966 5.628 189 HE3 LYS 26 HE3 LYS 26 19.463 18.262 4.604 190 HZ1 LYS 26 HZ1 LYS 26 16.603 18.558 3.945 191 HZ2 LYS 26 HZ2 LYS 26 17.750 18.347 2.720 192 HZ3 LYS 26 HZ3 LYS 26 17.858 19.678 3.758 193 H VAL 27 H VAL 27 16.950 10.987 7.326 194 HA VAL 27 HA VAL 27 16.160 9.441 4.995 195 HB VAL 27 HB VAL 27 17.736 7.575 5.633 196 HG11 VAL 27 HG11 VAL 27 18.901 10.154 4.591 197 HG12 VAL 27 HG12 VAL 27 19.662 8.569 4.438 198 HG13 VAL 27 HG13 VAL 27 18.118 8.888 3.645 199 HG21 VAL 27 HG21 VAL 27 19.383 7.823 7.169 200 HG22 VAL 27 HG22 VAL 27 19.579 9.546 6.844 201 HG23 VAL 27 HG23 VAL 27 18.247 8.985 7.854 202 H CYS 28 H CYS 28 15.390 7.248 5.616 203 HA CYS 28 HA CYS 28 13.813 7.440 8.035 204 HB2 CYS 28 HB2 CYS 28 13.905 5.382 5.823 205 HB3 CYS 28 HB3 CYS 28 12.822 5.281 7.207 206 H VAL 29 H VAL 29 13.927 6.103 9.806 207 HA VAL 29 HA VAL 29 16.045 4.081 9.882 208 HB VAL 29 HB VAL 29 16.720 4.894 12.158 209 HG11 VAL 29 HG11 VAL 29 17.838 5.429 9.869 210 HG12 VAL 29 HG12 VAL 29 17.259 7.067 10.179 211 HG13 VAL 29 HG13 VAL 29 18.357 6.288 11.319 212 HG21 VAL 29 HG21 VAL 29 16.054 6.942 13.005 213 HG22 VAL 29 HG22 VAL 29 15.524 7.538 11.433 214 HG23 VAL 29 HG23 VAL 29 14.561 6.334 12.289 215 H LYS 30 H LYS 30 15.940 2.951 12.146 216 HA LYS 30 HA LYS 30 13.264 1.923 12.391 217 HB2 LYS 30 HB2 LYS 30 15.280 0.474 12.514 218 HB3 LYS 30 HB3 LYS 30 15.725 1.265 14.021 219 HG2 LYS 30 HG2 LYS 30 14.384 -0.052 15.194 220 HG3 LYS 30 HG3 LYS 30 13.015 0.288 14.132 221 HD2 LYS 30 HD2 LYS 30 14.244 -1.351 12.508 222 HD3 LYS 30 HD3 LYS 30 15.037 -1.908 13.984 223 HE2 LYS 30 HE2 LYS 30 12.735 -2.182 14.975 224 HE3 LYS 30 HE3 LYS 30 12.090 -1.890 13.361 225 HZ1 LYS 30 HZ1 LYS 30 14.148 -3.888 13.402 226 HZ2 LYS 30 HZ2 LYS 30 12.600 -3.947 12.722 227 HZ3 LYS 30 HZ3 LYS 30 12.818 -4.305 14.361 228 H GLY 31 H GLY 31 11.918 3.416 13.309 229 HA2 GLY 31 HA2 GLY 31 12.550 5.134 15.431 230 HA3 GLY 31 HA3 GLY 31 10.925 4.644 14.973 Start of MODEL 18 1 H1 GLY 1 H GLY 1 0.419 0.859 -0.254 2 HA2 GLY 1 HA2 GLY 1 1.560 -0.910 -1.341 3 HA3 GLY 1 HA3 GLY 1 1.937 0.492 -2.331 4 H TYR 2 H TYR 2 3.799 1.847 -1.015 5 HA TYR 2 HA TYR 2 5.834 0.178 0.117 6 HB2 TYR 2 HB2 TYR 2 5.907 -0.240 -2.420 7 HB3 TYR 2 HB3 TYR 2 6.527 1.402 -2.546 8 HD1 TYR 2 HD1 TYR 2 8.588 1.927 -0.981 9 HD2 TYR 2 HD2 TYR 2 7.416 -1.978 -2.198 10 HE1 TYR 2 HE1 TYR 2 10.861 1.109 -0.523 11 HE2 TYR 2 HE2 TYR 2 9.686 -2.807 -1.743 12 HH TYR 2 HH TYR 2 12.230 -1.235 -1.629 13 H CYS 3 H CYS 3 6.574 1.462 1.662 14 HA CYS 3 HA CYS 3 6.743 4.349 1.177 15 HB2 CYS 3 HB2 CYS 3 7.296 3.224 3.871 16 HB3 CYS 3 HB3 CYS 3 6.416 4.680 3.417 17 H ALA 4 H ALA 4 8.626 5.181 2.893 18 HA ALA 4 HA ALA 4 11.070 4.238 1.627 19 HB1 ALA 4 HB1 ALA 4 10.981 6.560 1.625 20 HB2 ALA 4 HB2 ALA 4 10.363 6.636 3.275 21 HB3 ALA 4 HB3 ALA 4 12.047 6.200 2.984 22 H THR 5 H THR 5 12.016 2.524 2.524 23 HA THR 5 HA THR 5 11.778 1.971 5.352 24 HB THR 5 HB THR 5 13.402 0.046 4.686 25 HG1 THR 5 HG1 THR 5 14.071 0.517 2.681 26 HG21 THR 5 HG21 THR 5 11.107 -0.703 3.220 27 HG22 THR 5 HG22 THR 5 10.567 0.391 4.493 28 HG23 THR 5 HG23 THR 5 11.481 -1.059 4.906 29 H LYS 6 H LYS 6 13.921 1.143 6.416 30 HA LYS 6 HA LYS 6 15.504 3.272 7.069 31 HB2 LYS 6 HB2 LYS 6 15.463 1.116 8.282 32 HB3 LYS 6 HB3 LYS 6 16.394 0.383 6.982 33 HG2 LYS 6 HG2 LYS 6 18.294 1.726 7.478 34 HG3 LYS 6 HG3 LYS 6 17.368 2.720 8.606 35 HD2 LYS 6 HD2 LYS 6 18.693 1.196 9.887 36 HD3 LYS 6 HD3 LYS 6 17.011 0.671 9.994 37 HE2 LYS 6 HE2 LYS 6 18.268 -1.289 9.635 38 HE3 LYS 6 HE3 LYS 6 17.529 -0.907 8.080 39 HZ1 LYS 6 HZ1 LYS 6 19.718 -1.400 7.554 40 HZ2 LYS 6 HZ2 LYS 6 20.345 -0.602 8.906 41 HZ3 LYS 6 HZ3 LYS 6 19.723 0.291 7.611 42 H GLY 7 H GLY 7 17.235 4.311 6.246 43 HA2 GLY 7 HA2 GLY 7 19.196 4.528 4.948 44 HA3 GLY 7 HA3 GLY 7 18.724 3.099 4.039 45 H ILE 8 H ILE 8 15.943 4.311 3.813 46 HA ILE 8 HA ILE 8 16.481 5.741 1.351 47 HB ILE 8 HB ILE 8 13.787 5.134 2.565 48 HG12 ILE 8 HG12 ILE 8 15.124 3.068 2.301 49 HG13 ILE 8 HG13 ILE 8 13.748 3.114 1.204 50 HG21 ILE 8 HG21 ILE 8 13.603 6.760 0.847 51 HG22 ILE 8 HG22 ILE 8 14.707 5.873 -0.203 52 HG23 ILE 8 HG23 ILE 8 13.105 5.222 0.143 53 HD11 ILE 8 HD11 ILE 8 15.966 4.265 -0.129 54 HD12 ILE 8 HD12 ILE 8 16.484 2.743 0.596 55 HD13 ILE 8 HD13 ILE 8 15.104 2.772 -0.502 56 H LYS 9 H LYS 9 16.208 7.871 0.992 57 HA LYS 9 HA LYS 9 16.311 9.734 3.022 58 HB2 LYS 9 HB2 LYS 9 15.130 10.193 0.277 59 HB3 LYS 9 HB3 LYS 9 15.804 11.417 1.344 60 HG2 LYS 9 HG2 LYS 9 17.313 9.172 0.022 61 HG3 LYS 9 HG3 LYS 9 17.369 10.882 -0.414 62 HD2 LYS 9 HD2 LYS 9 17.998 11.029 2.207 63 HD3 LYS 9 HD3 LYS 9 18.667 9.444 1.812 64 HE2 LYS 9 HE2 LYS 9 20.118 10.334 0.204 65 HE3 LYS 9 HE3 LYS 9 19.222 11.849 0.105 66 HZ1 LYS 9 HZ1 LYS 9 21.438 11.300 1.675 67 HZ2 LYS 9 HZ2 LYS 9 20.137 11.447 2.745 68 HZ3 LYS 9 HZ3 LYS 9 20.500 12.708 1.677 69 H CYS 10 H CYS 10 14.842 11.041 4.074 70 HA CYS 10 HA CYS 10 12.001 10.342 3.728 71 HB2 CYS 10 HB2 CYS 10 11.661 10.168 6.008 72 HB3 CYS 10 HB3 CYS 10 13.290 9.516 5.863 73 H ASN 11 H ASN 11 14.081 12.672 3.118 74 HA ASN 11 HA ASN 11 13.045 14.973 4.377 75 HB2 ASN 11 HB2 ASN 11 14.104 16.151 2.348 76 HB3 ASN 11 HB3 ASN 11 15.169 15.224 3.400 77 HD21 ASN 11 HD21 ASN 11 13.209 14.895 0.471 78 HD22 ASN 11 HD22 ASN 11 14.302 13.838 -0.350 79 H ASP 12 H ASP 12 12.004 13.121 1.631 80 HA ASP 12 HA ASP 12 9.818 15.051 1.203 81 HB2 ASP 12 HB2 ASP 12 11.433 13.481 -0.785 82 HB3 ASP 12 HB3 ASP 12 9.794 13.995 -1.174 83 H ILE 13 H ILE 13 10.641 11.655 0.468 84 HA ILE 13 HA ILE 13 7.903 10.830 0.595 85 HB ILE 13 HB ILE 13 9.553 9.688 -0.844 86 HG12 ILE 13 HG12 ILE 13 8.710 7.585 1.089 87 HG13 ILE 13 HG13 ILE 13 7.452 8.600 0.394 88 HG21 ILE 13 HG21 ILE 13 10.678 8.531 1.699 89 HG22 ILE 13 HG22 ILE 13 11.244 8.259 0.052 90 HG23 ILE 13 HG23 ILE 13 11.431 9.846 0.796 91 HD11 ILE 13 HD11 ILE 13 7.510 7.477 -1.512 92 HD12 ILE 13 HD12 ILE 13 9.260 7.657 -1.639 93 HD13 ILE 13 HD13 ILE 13 8.575 6.320 -0.715 94 H HIS 14 H HIS 14 6.911 9.508 2.137 95 HA HIS 14 HA HIS 14 8.012 9.800 4.829 96 HB2 HIS 14 HB2 HIS 14 5.282 9.349 3.705 97 HB3 HIS 14 HB3 HIS 14 5.615 8.799 5.345 98 HD1 HIS 14 HD1 HIS 14 6.641 10.786 6.953 99 HD2 HIS 14 HD2 HIS 14 4.540 11.948 3.562 100 HE1 HIS 14 HE1 HIS 14 5.993 13.183 7.352 101 H CYS 15 H CYS 15 8.137 8.045 6.292 102 HA CYS 15 HA CYS 15 8.773 5.524 4.982 103 HB2 CYS 15 HB2 CYS 15 9.056 5.954 7.930 104 HB3 CYS 15 HB3 CYS 15 10.061 5.006 6.838 105 H CYS 16 H CYS 16 7.975 3.494 5.748 106 HA CYS 16 HA CYS 16 5.183 3.453 6.149 107 HB2 CYS 16 HB2 CYS 16 7.357 1.443 6.002 108 HB3 CYS 16 HB3 CYS 16 5.888 0.941 6.834 109 H SER 17 H SER 17 3.984 2.637 7.945 110 HA SER 17 HA SER 17 4.522 3.815 10.376 111 HB2 SER 17 HB2 SER 17 2.374 2.585 9.424 112 HB3 SER 17 HB3 SER 17 3.003 1.243 10.379 113 HG SER 17 HG SER 17 1.917 3.656 11.199 114 H GLY 18 H GLY 18 5.994 3.456 11.892 115 HA2 GLY 18 HA2 GLY 18 6.806 1.752 13.515 116 HA3 GLY 18 HA3 GLY 18 7.118 0.731 12.119 117 H LEU 19 H LEU 19 8.022 3.258 10.664 118 HA LEU 19 HA LEU 19 10.749 3.241 11.761 119 HB2 LEU 19 HB2 LEU 19 9.706 3.793 8.993 120 HB3 LEU 19 HB3 LEU 19 11.375 4.089 9.475 121 HG LEU 19 HG LEU 19 10.035 1.387 9.542 122 HD11 LEU 19 HD11 LEU 19 10.250 2.285 7.250 123 HD12 LEU 19 HD12 LEU 19 11.259 0.868 7.535 124 HD13 LEU 19 HD13 LEU 19 11.983 2.476 7.516 125 HD21 LEU 19 HD21 LEU 19 12.959 2.095 9.703 126 HD22 LEU 19 HD22 LEU 19 12.218 0.511 9.932 127 HD23 LEU 19 HD23 LEU 19 11.943 1.792 11.113 128 H LYS 20 H LYS 20 11.948 5.198 11.848 129 HA LYS 20 HA LYS 20 10.240 7.562 12.201 130 HB2 LYS 20 HB2 LYS 20 12.761 6.612 13.475 131 HB3 LYS 20 HB3 LYS 20 12.510 8.348 13.347 132 HG2 LYS 20 HG2 LYS 20 10.429 6.544 14.529 133 HG3 LYS 20 HG3 LYS 20 11.761 7.188 15.491 134 HD2 LYS 20 HD2 LYS 20 11.032 9.482 14.574 135 HD3 LYS 20 HD3 LYS 20 9.532 8.665 14.129 136 HE2 LYS 20 HE2 LYS 20 10.709 8.737 16.906 137 HE3 LYS 20 HE3 LYS 20 9.414 9.786 16.331 138 HZ1 LYS 20 HZ1 LYS 20 8.239 8.117 17.333 139 HZ2 LYS 20 HZ2 LYS 20 9.350 6.911 16.920 140 HZ3 LYS 20 HZ3 LYS 20 8.296 7.527 15.748 141 H CYS 21 H CYS 21 10.790 9.548 11.301 142 HA CYS 21 HA CYS 21 12.494 9.362 8.934 143 HB2 CYS 21 HB2 CYS 21 10.334 10.241 8.454 144 HB3 CYS 21 HB3 CYS 21 10.408 11.355 9.816 145 H ASP 22 H ASP 22 14.564 9.562 9.714 146 HA ASP 22 HA ASP 22 15.422 11.373 11.674 147 HB2 ASP 22 HB2 ASP 22 16.638 9.337 10.569 148 HB3 ASP 22 HB3 ASP 22 17.221 10.542 9.424 149 H SER 23 H SER 23 14.882 13.475 11.474 150 HA SER 23 HA SER 23 14.936 14.872 8.980 151 HB2 SER 23 HB2 SER 23 13.475 15.375 11.043 152 HB3 SER 23 HB3 SER 23 14.898 16.192 11.689 153 HG SER 23 HG SER 23 13.135 17.042 9.827 154 H LYS 24 H LYS 24 17.311 14.005 11.211 155 HA LYS 24 HA LYS 24 19.045 16.276 10.721 156 HB2 LYS 24 HB2 LYS 24 19.215 13.786 12.375 157 HB3 LYS 24 HB3 LYS 24 20.690 14.664 11.989 158 HG2 LYS 24 HG2 LYS 24 19.278 16.715 12.867 159 HG3 LYS 24 HG3 LYS 24 18.415 15.440 13.729 160 HD2 LYS 24 HD2 LYS 24 20.541 14.658 14.677 161 HD3 LYS 24 HD3 LYS 24 21.388 15.955 13.831 162 HE2 LYS 24 HE2 LYS 24 20.358 17.619 15.138 163 HE3 LYS 24 HE3 LYS 24 19.134 16.502 15.741 164 HZ1 LYS 24 HZ1 LYS 24 20.958 15.295 16.883 165 HZ2 LYS 24 HZ2 LYS 24 20.721 16.869 17.456 166 HZ3 LYS 24 HZ3 LYS 24 22.021 16.531 16.428 167 H ARG 25 H ARG 25 18.873 12.854 9.831 168 HA ARG 25 HA ARG 25 21.128 13.232 7.995 169 HB2 ARG 25 HB2 ARG 25 19.761 10.732 8.999 170 HB3 ARG 25 HB3 ARG 25 21.038 10.733 7.790 171 HG2 ARG 25 HG2 ARG 25 21.564 12.098 10.373 172 HG3 ARG 25 HG3 ARG 25 21.539 10.333 10.346 173 HD2 ARG 25 HD2 ARG 25 23.309 10.227 8.803 174 HD3 ARG 25 HD3 ARG 25 23.147 11.930 8.376 175 HE ARG 25 HE ARG 25 23.791 11.642 11.120 176 HH11 ARG 25 HH11 ARG 25 25.175 11.436 7.932 177 HH12 ARG 25 HH12 ARG 25 26.778 11.830 8.460 178 HH21 ARG 25 HH21 ARG 25 25.897 12.161 11.828 179 HH22 ARG 25 HH22 ARG 25 27.187 12.241 10.676 180 H LYS 26 H LYS 26 17.911 13.619 7.910 181 HA LYS 26 HA LYS 26 16.295 13.592 6.305 182 HB2 LYS 26 HB2 LYS 26 18.805 13.884 4.668 183 HB3 LYS 26 HB3 LYS 26 17.212 13.888 3.924 184 HG2 LYS 26 HG2 LYS 26 16.952 16.028 4.409 185 HG3 LYS 26 HG3 LYS 26 17.217 15.706 6.125 186 HD2 LYS 26 HD2 LYS 26 19.736 15.626 5.404 187 HD3 LYS 26 HD3 LYS 26 19.160 16.568 4.027 188 HE2 LYS 26 HE2 LYS 26 18.231 18.235 5.538 189 HE3 LYS 26 HE3 LYS 26 18.740 17.280 6.930 190 HZ1 LYS 26 HZ1 LYS 26 20.548 18.573 6.838 191 HZ2 LYS 26 HZ2 LYS 26 20.287 19.030 5.230 192 HZ3 LYS 26 HZ3 LYS 26 21.040 17.556 5.578 193 H VAL 27 H VAL 27 16.860 11.074 7.275 194 HA VAL 27 HA VAL 27 16.076 9.442 5.002 195 HB VAL 27 HB VAL 27 17.714 7.637 5.666 196 HG11 VAL 27 HG11 VAL 27 19.578 8.632 4.391 197 HG12 VAL 27 HG12 VAL 27 18.010 8.911 3.630 198 HG13 VAL 27 HG13 VAL 27 18.801 10.209 4.526 199 HG21 VAL 27 HG21 VAL 27 19.402 7.987 7.143 200 HG22 VAL 27 HG22 VAL 27 19.511 9.710 6.782 201 HG23 VAL 27 HG23 VAL 27 18.229 9.109 7.834 202 H CYS 28 H CYS 28 15.368 7.253 5.692 203 HA CYS 28 HA CYS 28 13.852 7.467 8.152 204 HB2 CYS 28 HB2 CYS 28 13.909 5.276 6.066 205 HB3 CYS 28 HB3 CYS 28 12.765 5.389 7.400 206 H VAL 29 H VAL 29 13.988 6.085 9.909 207 HA VAL 29 HA VAL 29 16.157 4.120 9.954 208 HB VAL 29 HB VAL 29 16.970 4.937 12.129 209 HG11 VAL 29 HG11 VAL 29 17.078 7.163 10.106 210 HG12 VAL 29 HG12 VAL 29 18.303 6.709 11.292 211 HG13 VAL 29 HG13 VAL 29 17.965 5.650 9.922 212 HG21 VAL 29 HG21 VAL 29 14.679 6.716 11.844 213 HG22 VAL 29 HG22 VAL 29 15.567 6.235 13.291 214 HG23 VAL 29 HG23 VAL 29 16.162 7.561 12.291 215 H LYS 30 H LYS 30 16.126 3.024 12.248 216 HA LYS 30 HA LYS 30 13.490 1.920 12.547 217 HB2 LYS 30 HB2 LYS 30 16.204 1.322 13.601 218 HB3 LYS 30 HB3 LYS 30 14.835 0.767 14.556 219 HG2 LYS 30 HG2 LYS 30 14.377 0.102 11.823 220 HG3 LYS 30 HG3 LYS 30 15.992 -0.440 12.286 221 HD2 LYS 30 HD2 LYS 30 15.198 -1.999 13.715 222 HD3 LYS 30 HD3 LYS 30 13.861 -0.978 14.249 223 HE2 LYS 30 HE2 LYS 30 12.846 -1.426 11.942 224 HE3 LYS 30 HE3 LYS 30 14.037 -2.718 11.807 225 HZ1 LYS 30 HZ1 LYS 30 13.137 -3.623 13.915 226 HZ2 LYS 30 HZ2 LYS 30 12.021 -3.634 12.644 227 HZ3 LYS 30 HZ3 LYS 30 11.908 -2.461 13.858 228 H GLY 31 H GLY 31 11.987 3.041 13.616 229 HA2 GLY 31 HA2 GLY 31 12.673 4.879 15.728 230 HA3 GLY 31 HA3 GLY 31 11.055 4.508 15.149 Start of MODEL 19 1 H1 GLY 1 H GLY 1 1.795 -2.255 0.836 2 HA2 GLY 1 HA2 GLY 1 3.789 -0.741 1.988 3 HA3 GLY 1 HA3 GLY 1 4.052 -2.321 1.265 4 H TYR 2 H TYR 2 4.278 1.121 0.815 5 HA TYR 2 HA TYR 2 6.293 0.750 -1.213 6 HB2 TYR 2 HB2 TYR 2 3.907 0.807 -2.310 7 HB3 TYR 2 HB3 TYR 2 4.033 2.539 -2.025 8 HD1 TYR 2 HD1 TYR 2 5.778 -0.313 -3.655 9 HD2 TYR 2 HD2 TYR 2 5.208 3.901 -3.521 10 HE1 TYR 2 HE1 TYR 2 7.089 -0.077 -5.722 11 HE2 TYR 2 HE2 TYR 2 6.517 4.149 -5.589 12 HH TYR 2 HH TYR 2 8.381 1.609 -6.899 13 H CYS 3 H CYS 3 6.360 1.802 1.389 14 HA CYS 3 HA CYS 3 6.566 4.702 1.006 15 HB2 CYS 3 HB2 CYS 3 7.105 3.476 3.658 16 HB3 CYS 3 HB3 CYS 3 6.244 4.958 3.257 17 H ALA 4 H ALA 4 8.460 5.429 2.775 18 HA ALA 4 HA ALA 4 10.891 4.529 1.458 19 HB1 ALA 4 HB1 ALA 4 10.833 6.847 1.594 20 HB2 ALA 4 HB2 ALA 4 10.213 6.834 3.245 21 HB3 ALA 4 HB3 ALA 4 11.892 6.395 2.930 22 H THR 5 H THR 5 11.816 2.753 2.250 23 HA THR 5 HA THR 5 11.576 2.041 5.043 24 HB THR 5 HB THR 5 13.174 0.135 4.254 25 HG1 THR 5 HG1 THR 5 13.812 0.821 2.269 26 HG21 THR 5 HG21 THR 5 11.242 -0.958 4.441 27 HG22 THR 5 HG22 THR 5 10.850 -0.504 2.782 28 HG23 THR 5 HG23 THR 5 10.342 0.524 4.122 29 H LYS 6 H LYS 6 13.691 1.143 6.075 30 HA LYS 6 HA LYS 6 15.321 3.215 6.806 31 HB2 LYS 6 HB2 LYS 6 16.701 1.648 7.866 32 HB3 LYS 6 HB3 LYS 6 15.138 0.844 7.789 33 HG2 LYS 6 HG2 LYS 6 15.897 -0.387 5.796 34 HG3 LYS 6 HG3 LYS 6 17.479 0.381 5.951 35 HD2 LYS 6 HD2 LYS 6 18.107 -1.168 7.416 36 HD3 LYS 6 HD3 LYS 6 16.757 -0.741 8.471 37 HE2 LYS 6 HE2 LYS 6 15.455 -2.450 7.722 38 HE3 LYS 6 HE3 LYS 6 16.148 -2.413 6.101 39 HZ1 LYS 6 HZ1 LYS 6 18.231 -3.326 7.233 40 HZ2 LYS 6 HZ2 LYS 6 16.932 -4.384 7.005 41 HZ3 LYS 6 HZ3 LYS 6 17.214 -3.708 8.530 42 H GLY 7 H GLY 7 17.156 4.174 6.077 43 HA2 GLY 7 HA2 GLY 7 19.088 4.427 4.775 44 HA3 GLY 7 HA3 GLY 7 18.626 3.005 3.852 45 H ILE 8 H ILE 8 15.847 4.464 3.778 46 HA ILE 8 HA ILE 8 16.417 5.803 1.251 47 HB ILE 8 HB ILE 8 13.729 5.224 2.498 48 HG12 ILE 8 HG12 ILE 8 15.031 3.158 2.084 49 HG13 ILE 8 HG13 ILE 8 13.621 3.279 1.037 50 HG21 ILE 8 HG21 ILE 8 13.131 5.359 -0.034 51 HG22 ILE 8 HG22 ILE 8 13.319 6.838 0.906 52 HG23 ILE 8 HG23 ILE 8 14.626 6.289 -0.142 53 HD11 ILE 8 HD11 ILE 8 16.292 2.849 0.302 54 HD12 ILE 8 HD12 ILE 8 14.897 3.079 -0.753 55 HD13 ILE 8 HD13 ILE 8 15.869 4.466 -0.261 56 H LYS 9 H LYS 9 16.359 7.942 0.965 57 HA LYS 9 HA LYS 9 16.421 9.766 3.033 58 HB2 LYS 9 HB2 LYS 9 15.536 10.271 0.186 59 HB3 LYS 9 HB3 LYS 9 16.061 11.502 1.326 60 HG2 LYS 9 HG2 LYS 9 18.014 9.379 1.036 61 HG3 LYS 9 HG3 LYS 9 17.642 10.168 -0.499 62 HD2 LYS 9 HD2 LYS 9 18.162 12.332 0.441 63 HD3 LYS 9 HD3 LYS 9 18.405 11.616 2.037 64 HE2 LYS 9 HE2 LYS 9 20.211 10.191 0.922 65 HE3 LYS 9 HE3 LYS 9 20.092 11.316 -0.431 66 HZ1 LYS 9 HZ1 LYS 9 21.386 11.649 2.090 67 HZ2 LYS 9 HZ2 LYS 9 20.309 12.914 1.776 68 HZ3 LYS 9 HZ3 LYS 9 21.542 12.561 0.674 69 H CYS 10 H CYS 10 14.959 11.046 4.078 70 HA CYS 10 HA CYS 10 12.115 10.572 3.468 71 HB2 CYS 10 HB2 CYS 10 11.583 10.425 5.735 72 HB3 CYS 10 HB3 CYS 10 13.110 9.553 5.636 73 H ASN 11 H ASN 11 14.248 12.762 2.904 74 HA ASN 11 HA ASN 11 13.507 15.108 4.237 75 HB2 ASN 11 HB2 ASN 11 15.514 15.194 3.002 76 HB3 ASN 11 HB3 ASN 11 14.740 14.592 1.539 77 HD21 ASN 11 HD21 ASN 11 14.966 17.342 3.712 78 HD22 ASN 11 HD22 ASN 11 14.512 18.535 2.547 79 H ASP 12 H ASP 12 11.877 13.289 1.833 80 HA ASP 12 HA ASP 12 9.792 15.349 1.707 81 HB2 ASP 12 HB2 ASP 12 9.489 14.500 -0.755 82 HB3 ASP 12 HB3 ASP 12 10.698 15.727 -0.390 83 H ILE 13 H ILE 13 10.524 12.017 0.661 84 HA ILE 13 HA ILE 13 7.796 11.187 0.905 85 HB ILE 13 HB ILE 13 9.387 10.140 -0.689 86 HG12 ILE 13 HG12 ILE 13 8.410 8.055 1.251 87 HG13 ILE 13 HG13 ILE 13 7.286 9.020 0.300 88 HG21 ILE 13 HG21 ILE 13 11.055 8.584 0.067 89 HG22 ILE 13 HG22 ILE 13 11.331 10.138 0.850 90 HG23 ILE 13 HG23 ILE 13 10.574 8.822 1.747 91 HD11 ILE 13 HD11 ILE 13 7.518 7.133 -0.986 92 HD12 ILE 13 HD12 ILE 13 8.714 8.208 -1.710 93 HD13 ILE 13 HD13 ILE 13 9.227 6.944 -0.593 94 H HIS 14 H HIS 14 6.863 9.861 2.451 95 HA HIS 14 HA HIS 14 8.169 9.933 5.064 96 HB2 HIS 14 HB2 HIS 14 5.340 9.636 4.136 97 HB3 HIS 14 HB3 HIS 14 5.786 9.040 5.731 98 HD1 HIS 14 HD1 HIS 14 5.968 12.271 3.739 99 HD2 HIS 14 HD2 HIS 14 5.730 10.939 7.667 100 HE1 HIS 14 HE1 HIS 14 5.707 14.345 5.138 101 H CYS 15 H CYS 15 8.162 8.063 6.451 102 HA CYS 15 HA CYS 15 8.696 5.624 4.953 103 HB2 CYS 15 HB2 CYS 15 8.989 5.809 7.924 104 HB3 CYS 15 HB3 CYS 15 9.962 4.917 6.759 105 H CYS 16 H CYS 16 7.811 3.578 5.562 106 HA CYS 16 HA CYS 16 5.023 3.609 5.938 107 HB2 CYS 16 HB2 CYS 16 7.128 1.534 5.712 108 HB3 CYS 16 HB3 CYS 16 5.630 1.039 6.494 109 H SER 17 H SER 17 3.780 2.665 7.667 110 HA SER 17 HA SER 17 4.278 3.718 10.164 111 HB2 SER 17 HB2 SER 17 2.711 1.172 9.738 112 HB3 SER 17 HB3 SER 17 2.457 2.407 10.971 113 HG SER 17 HG SER 17 1.476 2.277 8.464 114 H GLY 18 H GLY 18 5.989 3.352 11.414 115 HA2 GLY 18 HA2 GLY 18 6.706 1.550 13.061 116 HA3 GLY 18 HA3 GLY 18 7.004 0.588 11.621 117 H LEU 19 H LEU 19 7.849 3.338 10.401 118 HA LEU 19 HA LEU 19 10.590 3.254 11.480 119 HB2 LEU 19 HB2 LEU 19 9.641 3.839 8.680 120 HB3 LEU 19 HB3 LEU 19 11.306 4.027 9.227 121 HG LEU 19 HG LEU 19 9.817 1.405 9.233 122 HD11 LEU 19 HD11 LEU 19 11.101 0.846 7.241 123 HD12 LEU 19 HD12 LEU 19 11.787 2.470 7.215 124 HD13 LEU 19 HD13 LEU 19 10.059 2.240 6.950 125 HD21 LEU 19 HD21 LEU 19 12.785 1.789 9.286 126 HD22 LEU 19 HD22 LEU 19 11.827 0.402 9.805 127 HD23 LEU 19 HD23 LEU 19 11.843 1.876 10.774 128 H LYS 20 H LYS 20 11.732 5.207 11.677 129 HA LYS 20 HA LYS 20 9.996 7.564 11.898 130 HB2 LYS 20 HB2 LYS 20 11.486 8.413 13.526 131 HB3 LYS 20 HB3 LYS 20 11.304 6.704 13.901 132 HG2 LYS 20 HG2 LYS 20 13.522 6.627 13.962 133 HG3 LYS 20 HG3 LYS 20 13.469 6.745 12.202 134 HD2 LYS 20 HD2 LYS 20 14.606 8.651 12.363 135 HD3 LYS 20 HD3 LYS 20 13.195 9.368 13.146 136 HE2 LYS 20 HE2 LYS 20 15.184 7.767 14.716 137 HE3 LYS 20 HE3 LYS 20 15.480 9.465 14.349 138 HZ1 LYS 20 HZ1 LYS 20 14.339 9.813 16.225 139 HZ2 LYS 20 HZ2 LYS 20 13.622 8.281 16.215 140 HZ3 LYS 20 HZ3 LYS 20 12.964 9.528 15.280 141 H CYS 21 H CYS 21 10.680 9.594 11.114 142 HA CYS 21 HA CYS 21 12.430 9.392 8.782 143 HB2 CYS 21 HB2 CYS 21 10.316 10.381 8.289 144 HB3 CYS 21 HB3 CYS 21 10.426 11.466 9.672 145 H ASP 22 H ASP 22 14.480 9.451 9.658 146 HA ASP 22 HA ASP 22 15.381 11.161 11.673 147 HB2 ASP 22 HB2 ASP 22 16.522 9.121 10.449 148 HB3 ASP 22 HB3 ASP 22 17.217 10.388 9.442 149 H SER 23 H SER 23 14.925 13.289 11.547 150 HA SER 23 HA SER 23 15.086 14.781 9.114 151 HB2 SER 23 HB2 SER 23 13.608 15.256 11.177 152 HB3 SER 23 HB3 SER 23 15.050 16.002 11.867 153 HG SER 23 HG SER 23 13.754 17.525 10.764 154 H LYS 24 H LYS 24 17.380 13.728 11.348 155 HA LYS 24 HA LYS 24 19.211 15.945 10.994 156 HB2 LYS 24 HB2 LYS 24 19.579 13.263 12.341 157 HB3 LYS 24 HB3 LYS 24 20.753 14.572 12.362 158 HG2 LYS 24 HG2 LYS 24 19.302 15.959 13.641 159 HG3 LYS 24 HG3 LYS 24 17.958 14.832 13.441 160 HD2 LYS 24 HD2 LYS 24 18.620 13.617 15.190 161 HD3 LYS 24 HD3 LYS 24 20.271 13.519 14.575 162 HE2 LYS 24 HE2 LYS 24 19.189 15.956 15.970 163 HE3 LYS 24 HE3 LYS 24 19.969 14.631 16.832 164 HZ1 LYS 24 HZ1 LYS 24 21.136 16.715 15.227 165 HZ2 LYS 24 HZ2 LYS 24 21.727 15.174 14.858 166 HZ3 LYS 24 HZ3 LYS 24 21.835 15.765 16.439 167 H ARG 25 H ARG 25 18.950 12.565 9.963 168 HA ARG 25 HA ARG 25 21.231 12.958 8.162 169 HB2 ARG 25 HB2 ARG 25 19.784 10.419 8.940 170 HB3 ARG 25 HB3 ARG 25 21.202 10.511 7.904 171 HG2 ARG 25 HG2 ARG 25 22.516 11.386 9.757 172 HG3 ARG 25 HG3 ARG 25 21.093 11.331 10.799 173 HD2 ARG 25 HD2 ARG 25 21.146 9.057 10.986 174 HD3 ARG 25 HD3 ARG 25 21.880 8.836 9.398 175 HE ARG 25 HE ARG 25 23.732 10.093 11.089 176 HH11 ARG 25 HH11 ARG 25 22.144 7.023 10.672 177 HH12 ARG 25 HH12 ARG 25 23.439 6.110 11.373 178 HH21 ARG 25 HH21 ARG 25 25.444 8.902 12.014 179 HH22 ARG 25 HH22 ARG 25 25.316 7.180 12.137 180 H LYS 26 H LYS 26 18.038 13.447 8.055 181 HA LYS 26 HA LYS 26 16.432 13.509 6.439 182 HB2 LYS 26 HB2 LYS 26 18.944 13.748 4.784 183 HB3 LYS 26 HB3 LYS 26 17.333 13.921 4.099 184 HG2 LYS 26 HG2 LYS 26 16.932 15.909 5.202 185 HG3 LYS 26 HG3 LYS 26 18.143 15.584 6.444 186 HD2 LYS 26 HD2 LYS 26 19.390 15.655 3.861 187 HD3 LYS 26 HD3 LYS 26 18.437 17.121 4.106 188 HE2 LYS 26 HE2 LYS 26 20.004 16.327 6.442 189 HE3 LYS 26 HE3 LYS 26 20.985 16.698 5.026 190 HZ1 LYS 26 HZ1 LYS 26 20.477 18.619 6.527 191 HZ2 LYS 26 HZ2 LYS 26 18.864 18.506 6.032 192 HZ3 LYS 26 HZ3 LYS 26 20.073 18.856 4.901 193 H VAL 27 H VAL 27 16.903 10.948 7.321 194 HA VAL 27 HA VAL 27 16.122 9.419 4.976 195 HB VAL 27 HB VAL 27 17.689 7.547 5.596 196 HG11 VAL 27 HG11 VAL 27 18.879 10.137 4.612 197 HG12 VAL 27 HG12 VAL 27 19.629 8.550 4.436 198 HG13 VAL 27 HG13 VAL 27 18.096 8.896 3.635 199 HG21 VAL 27 HG21 VAL 27 19.521 9.493 6.862 200 HG22 VAL 27 HG22 VAL 27 18.181 8.908 7.847 201 HG23 VAL 27 HG23 VAL 27 19.327 7.764 7.150 202 H CYS 28 H CYS 28 15.450 7.157 5.624 203 HA CYS 28 HA CYS 28 13.839 7.356 8.037 204 HB2 CYS 28 HB2 CYS 28 13.896 5.317 5.805 205 HB3 CYS 28 HB3 CYS 28 12.807 5.236 7.185 206 H VAL 29 H VAL 29 14.015 6.061 9.813 207 HA VAL 29 HA VAL 29 15.917 3.863 9.835 208 HB VAL 29 HB VAL 29 17.109 4.705 11.820 209 HG11 VAL 29 HG11 VAL 29 17.252 6.559 9.444 210 HG12 VAL 29 HG12 VAL 29 18.507 6.342 10.666 211 HG13 VAL 29 HG13 VAL 29 18.077 5.007 9.596 212 HG21 VAL 29 HG21 VAL 29 15.345 7.082 11.369 213 HG22 VAL 29 HG22 VAL 29 15.686 6.215 12.867 214 HG23 VAL 29 HG23 VAL 29 16.914 7.261 12.154 215 H LYS 30 H LYS 30 15.937 2.800 12.057 216 HA LYS 30 HA LYS 30 13.265 2.188 12.786 217 HB2 LYS 30 HB2 LYS 30 15.459 0.759 12.942 218 HB3 LYS 30 HB3 LYS 30 15.598 1.496 14.533 219 HG2 LYS 30 HG2 LYS 30 13.631 0.490 15.299 220 HG3 LYS 30 HG3 LYS 30 13.094 0.095 13.665 221 HD2 LYS 30 HD2 LYS 30 13.893 -1.898 14.811 222 HD3 LYS 30 HD3 LYS 30 14.945 -1.501 13.450 223 HE2 LYS 30 HE2 LYS 30 15.707 -0.304 16.028 224 HE3 LYS 30 HE3 LYS 30 15.821 -2.062 15.952 225 HZ1 LYS 30 HZ1 LYS 30 17.596 -0.172 14.913 226 HZ2 LYS 30 HZ2 LYS 30 16.912 -0.994 13.602 227 HZ3 LYS 30 HZ3 LYS 30 17.699 -1.858 14.826 228 H GLY 31 H GLY 31 11.968 3.106 14.241 229 HA2 GLY 31 HA2 GLY 31 13.177 4.693 16.406 230 HA3 GLY 31 HA3 GLY 31 11.930 5.410 15.397 Start of MODEL 20 1 H1 GLY 1 H GLY 1 1.195 1.124 -0.090 2 HA2 GLY 1 HA2 GLY 1 1.809 -0.747 -2.285 3 HA3 GLY 1 HA3 GLY 1 2.099 0.986 -2.326 4 H TYR 2 H TYR 2 3.878 1.850 -1.181 5 HA TYR 2 HA TYR 2 5.695 0.175 0.251 6 HB2 TYR 2 HB2 TYR 2 6.121 -0.491 -2.137 7 HB3 TYR 2 HB3 TYR 2 6.641 1.162 -2.444 8 HD1 TYR 2 HD1 TYR 2 7.481 -1.997 -0.788 9 HD2 TYR 2 HD2 TYR 2 8.755 1.983 -1.587 10 HE1 TYR 2 HE1 TYR 2 9.753 -2.582 -0.050 11 HE2 TYR 2 HE2 TYR 2 11.031 1.409 -0.852 12 HH TYR 2 HH TYR 2 11.974 -1.871 -0.184 13 H CYS 3 H CYS 3 6.553 1.455 1.735 14 HA CYS 3 HA CYS 3 6.712 4.334 1.209 15 HB2 CYS 3 HB2 CYS 3 7.263 3.252 3.921 16 HB3 CYS 3 HB3 CYS 3 6.377 4.697 3.443 17 H ALA 4 H ALA 4 8.588 5.200 2.915 18 HA ALA 4 HA ALA 4 11.037 4.269 1.660 19 HB1 ALA 4 HB1 ALA 4 10.935 6.591 1.677 20 HB2 ALA 4 HB2 ALA 4 10.317 6.650 3.328 21 HB3 ALA 4 HB3 ALA 4 12.003 6.226 3.032 22 H THR 5 H THR 5 11.995 2.556 2.544 23 HA THR 5 HA THR 5 11.761 1.983 5.370 24 HB THR 5 HB THR 5 13.392 0.067 4.682 25 HG1 THR 5 HG1 THR 5 13.831 -0.075 2.614 26 HG21 THR 5 HG21 THR 5 11.080 -0.681 3.239 27 HG22 THR 5 HG22 THR 5 10.555 0.399 4.531 28 HG23 THR 5 HG23 THR 5 11.481 -1.052 4.916 29 H LYS 6 H LYS 6 13.903 1.159 6.429 30 HA LYS 6 HA LYS 6 15.489 3.292 7.075 31 HB2 LYS 6 HB2 LYS 6 15.446 1.159 8.314 32 HB3 LYS 6 HB3 LYS 6 16.350 0.393 7.015 33 HG2 LYS 6 HG2 LYS 6 17.797 2.687 7.806 34 HG3 LYS 6 HG3 LYS 6 17.325 1.821 9.270 35 HD2 LYS 6 HD2 LYS 6 18.265 -0.247 8.326 36 HD3 LYS 6 HD3 LYS 6 18.768 0.649 6.891 37 HE2 LYS 6 HE2 LYS 6 19.772 2.107 9.044 38 HE3 LYS 6 HE3 LYS 6 20.052 0.420 9.470 39 HZ1 LYS 6 HZ1 LYS 6 20.739 0.761 6.784 40 HZ2 LYS 6 HZ2 LYS 6 21.758 0.397 8.084 41 HZ3 LYS 6 HZ3 LYS 6 21.475 2.009 7.657 42 H GLY 7 H GLY 7 17.193 4.340 6.222 43 HA2 GLY 7 HA2 GLY 7 19.170 4.529 4.934 44 HA3 GLY 7 HA3 GLY 7 18.689 3.100 4.031 45 H ILE 8 H ILE 8 15.916 4.320 3.797 46 HA ILE 8 HA ILE 8 16.458 5.736 1.329 47 HB ILE 8 HB ILE 8 13.762 5.161 2.555 48 HG12 ILE 8 HG12 ILE 8 15.085 3.083 2.300 49 HG13 ILE 8 HG13 ILE 8 13.700 3.131 1.214 50 HG21 ILE 8 HG21 ILE 8 13.677 6.808 0.806 51 HG22 ILE 8 HG22 ILE 8 14.648 5.789 -0.255 52 HG23 ILE 8 HG23 ILE 8 13.017 5.291 0.193 53 HD11 ILE 8 HD11 ILE 8 16.041 2.344 0.371 54 HD12 ILE 8 HD12 ILE 8 15.004 3.337 -0.654 55 HD13 ILE 8 HD13 ILE 8 16.342 4.075 0.226 56 H LYS 9 H LYS 9 16.293 7.869 0.997 57 HA LYS 9 HA LYS 9 16.357 9.725 3.035 58 HB2 LYS 9 HB2 LYS 9 15.341 10.180 0.223 59 HB3 LYS 9 HB3 LYS 9 15.913 11.424 1.328 60 HG2 LYS 9 HG2 LYS 9 17.767 9.197 0.719 61 HG3 LYS 9 HG3 LYS 9 17.449 10.369 -0.562 62 HD2 LYS 9 HD2 LYS 9 17.963 12.161 1.178 63 HD3 LYS 9 HD3 LYS 9 18.612 10.852 2.169 64 HE2 LYS 9 HE2 LYS 9 20.487 10.745 0.964 65 HE3 LYS 9 HE3 LYS 9 19.601 10.766 -0.559 66 HZ1 LYS 9 HZ1 LYS 9 20.080 12.898 -0.844 67 HZ2 LYS 9 HZ2 LYS 9 21.140 12.790 0.469 68 HZ3 LYS 9 HZ3 LYS 9 19.549 13.313 0.708 69 H CYS 10 H CYS 10 14.884 10.994 4.091 70 HA CYS 10 HA CYS 10 12.042 10.377 3.611 71 HB2 CYS 10 HB2 CYS 10 11.610 10.289 5.894 72 HB3 CYS 10 HB3 CYS 10 13.193 9.526 5.787 73 H ASN 11 H ASN 11 14.091 12.642 2.915 74 HA ASN 11 HA ASN 11 13.222 15.003 4.154 75 HB2 ASN 11 HB2 ASN 11 14.473 16.148 2.553 76 HB3 ASN 11 HB3 ASN 11 15.260 14.573 2.596 77 HD21 ASN 11 HD21 ASN 11 14.591 13.010 0.953 78 HD22 ASN 11 HD22 ASN 11 14.160 13.594 -0.615 79 H ASP 12 H ASP 12 11.929 13.166 1.473 80 HA ASP 12 HA ASP 12 9.691 15.077 1.316 81 HB2 ASP 12 HB2 ASP 12 11.310 14.878 -0.714 82 HB3 ASP 12 HB3 ASP 12 10.485 13.349 -1.008 83 H ILE 13 H ILE 13 10.545 11.714 0.479 84 HA ILE 13 HA ILE 13 7.836 10.819 0.708 85 HB ILE 13 HB ILE 13 9.499 9.736 -0.788 86 HG12 ILE 13 HG12 ILE 13 8.825 7.411 -0.261 87 HG13 ILE 13 HG13 ILE 13 8.265 7.947 1.319 88 HG21 ILE 13 HG21 ILE 13 11.190 8.278 0.086 89 HG22 ILE 13 HG22 ILE 13 11.393 9.869 0.818 90 HG23 ILE 13 HG23 ILE 13 10.646 8.564 1.739 91 HD11 ILE 13 HD11 ILE 13 7.074 9.533 -0.756 92 HD12 ILE 13 HD12 ILE 13 6.803 7.815 -1.047 93 HD13 ILE 13 HD13 ILE 13 6.307 8.539 0.483 94 H HIS 14 H HIS 14 6.900 9.560 2.305 95 HA HIS 14 HA HIS 14 8.144 9.809 4.938 96 HB2 HIS 14 HB2 HIS 14 5.338 9.322 3.988 97 HB3 HIS 14 HB3 HIS 14 5.793 8.941 5.646 98 HD1 HIS 14 HD1 HIS 14 3.908 11.344 4.347 99 HD2 HIS 14 HD2 HIS 14 7.576 11.629 6.276 100 HE1 HIS 14 HE1 HIS 14 4.028 13.700 5.217 101 H CYS 15 H CYS 15 8.189 8.025 6.416 102 HA CYS 15 HA CYS 15 8.786 5.515 5.065 103 HB2 CYS 15 HB2 CYS 15 9.064 5.882 8.021 104 HB3 CYS 15 HB3 CYS 15 10.062 4.945 6.912 105 H CYS 16 H CYS 16 7.962 3.483 5.824 106 HA CYS 16 HA CYS 16 5.166 3.474 6.188 107 HB2 CYS 16 HB2 CYS 16 7.318 1.439 6.071 108 HB3 CYS 16 HB3 CYS 16 5.833 0.954 6.883 109 H SER 17 H SER 17 3.931 2.673 7.966 110 HA SER 17 HA SER 17 4.449 3.845 10.405 111 HB2 SER 17 HB2 SER 17 2.791 1.364 9.886 112 HB3 SER 17 HB3 SER 17 2.694 2.375 11.327 113 HG SER 17 HG SER 17 1.450 3.677 10.263 114 H GLY 18 H GLY 18 6.111 3.515 11.723 115 HA2 GLY 18 HA2 GLY 18 6.806 1.768 13.434 116 HA3 GLY 18 HA3 GLY 18 7.129 0.761 12.030 117 H LEU 19 H LEU 19 8.030 3.363 10.653 118 HA LEU 19 HA LEU 19 10.747 3.331 11.786 119 HB2 LEU 19 HB2 LEU 19 9.788 3.877 8.983 120 HB3 LEU 19 HB3 LEU 19 11.451 4.111 9.518 121 HG LEU 19 HG LEU 19 10.022 1.457 9.577 122 HD11 LEU 19 HD11 LEU 19 10.234 2.272 7.278 123 HD12 LEU 19 HD12 LEU 19 11.287 0.891 7.582 124 HD13 LEU 19 HD13 LEU 19 11.962 2.520 7.528 125 HD21 LEU 19 HD21 LEU 19 12.980 1.940 9.618 126 HD22 LEU 19 HD22 LEU 19 12.078 0.509 10.119 127 HD23 LEU 19 HD23 LEU 19 12.030 1.972 11.104 128 H LYS 20 H LYS 20 11.938 5.300 11.852 129 HA LYS 20 HA LYS 20 10.208 7.657 12.139 130 HB2 LYS 20 HB2 LYS 20 12.767 6.797 13.431 131 HB3 LYS 20 HB3 LYS 20 12.382 8.511 13.345 132 HG2 LYS 20 HG2 LYS 20 10.549 8.304 14.740 133 HG3 LYS 20 HG3 LYS 20 10.383 6.574 14.431 134 HD2 LYS 20 HD2 LYS 20 11.465 6.249 16.355 135 HD3 LYS 20 HD3 LYS 20 12.916 6.822 15.530 136 HE2 LYS 20 HE2 LYS 20 10.969 8.682 16.871 137 HE3 LYS 20 HE3 LYS 20 12.327 7.952 17.727 138 HZ1 LYS 20 HZ1 LYS 20 13.356 9.814 17.034 139 HZ2 LYS 20 HZ2 LYS 20 12.314 10.057 15.724 140 HZ3 LYS 20 HZ3 LYS 20 13.575 8.935 15.605 141 H CYS 21 H CYS 21 10.791 9.648 11.245 142 HA CYS 21 HA CYS 21 12.508 9.430 8.891 143 HB2 CYS 21 HB2 CYS 21 10.359 10.328 8.393 144 HB3 CYS 21 HB3 CYS 21 10.438 11.450 9.747 145 H ASP 22 H ASP 22 14.573 9.606 9.699 146 HA ASP 22 HA ASP 22 15.439 11.417 11.648 147 HB2 ASP 22 HB2 ASP 22 16.628 9.365 10.468 148 HB3 ASP 22 HB3 ASP 22 17.286 10.632 9.436 149 H SER 23 H SER 23 14.919 13.524 11.445 150 HA SER 23 HA SER 23 14.993 14.918 8.950 151 HB2 SER 23 HB2 SER 23 13.568 15.413 11.078 152 HB3 SER 23 HB3 SER 23 14.992 16.304 11.615 153 HG SER 23 HG SER 23 13.622 16.724 9.163 154 H LYS 24 H LYS 24 17.356 14.029 11.183 155 HA LYS 24 HA LYS 24 19.111 16.283 10.700 156 HB2 LYS 24 HB2 LYS 24 19.424 15.476 12.848 157 HB3 LYS 24 HB3 LYS 24 19.242 13.797 12.357 158 HG2 LYS 24 HG2 LYS 24 21.436 13.809 11.354 159 HG3 LYS 24 HG3 LYS 24 21.618 15.529 11.706 160 HD2 LYS 24 HD2 LYS 24 21.442 15.018 14.118 161 HD3 LYS 24 HD3 LYS 24 21.357 13.299 13.724 162 HE2 LYS 24 HE2 LYS 24 23.566 13.352 12.779 163 HE3 LYS 24 HE3 LYS 24 23.646 15.104 12.955 164 HZ1 LYS 24 HZ1 LYS 24 24.864 13.881 14.696 165 HZ2 LYS 24 HZ2 LYS 24 23.406 13.206 15.225 166 HZ3 LYS 24 HZ3 LYS 24 23.649 14.877 15.323 167 H ARG 25 H ARG 25 18.921 12.860 9.811 168 HA ARG 25 HA ARG 25 21.172 13.230 7.968 169 HB2 ARG 25 HB2 ARG 25 19.789 10.654 8.731 170 HB3 ARG 25 HB3 ARG 25 21.308 10.824 7.861 171 HG2 ARG 25 HG2 ARG 25 22.204 11.971 9.936 172 HG3 ARG 25 HG3 ARG 25 20.750 11.395 10.753 173 HD2 ARG 25 HD2 ARG 25 22.031 9.285 9.244 174 HD3 ARG 25 HD3 ARG 25 23.139 10.011 10.408 175 HE ARG 25 HE ARG 25 20.553 9.356 11.492 176 HH11 ARG 25 HH11 ARG 25 23.770 8.205 10.821 177 HH12 ARG 25 HH12 ARG 25 23.721 6.969 12.034 178 HH21 ARG 25 HH21 ARG 25 20.477 7.732 13.092 179 HH22 ARG 25 HH22 ARG 25 21.848 6.700 13.324 180 H LYS 26 H LYS 26 17.962 13.637 7.887 181 HA LYS 26 HA LYS 26 16.338 13.604 6.288 182 HB2 LYS 26 HB2 LYS 26 18.729 13.695 4.439 183 HB3 LYS 26 HB3 LYS 26 17.078 14.117 4.004 184 HG2 LYS 26 HG2 LYS 26 17.122 15.973 5.576 185 HG3 LYS 26 HG3 LYS 26 18.764 15.539 6.055 186 HD2 LYS 26 HD2 LYS 26 19.226 15.755 3.476 187 HD3 LYS 26 HD3 LYS 26 17.781 16.768 3.522 188 HE2 LYS 26 HE2 LYS 26 19.039 18.459 4.220 189 HE3 LYS 26 HE3 LYS 26 19.377 17.559 5.698 190 HZ1 LYS 26 HZ1 LYS 26 21.315 16.627 4.723 191 HZ2 LYS 26 HZ2 LYS 26 21.379 18.295 4.450 192 HZ3 LYS 26 HZ3 LYS 26 20.939 17.249 3.195 193 H VAL 27 H VAL 27 16.895 11.087 7.264 194 HA VAL 27 HA VAL 27 16.107 9.452 4.995 195 HB VAL 27 HB VAL 27 17.733 7.643 5.656 196 HG11 VAL 27 HG11 VAL 27 19.623 8.648 4.417 197 HG12 VAL 27 HG12 VAL 27 18.065 8.917 3.633 198 HG13 VAL 27 HG13 VAL 27 18.833 10.220 4.541 199 HG21 VAL 27 HG21 VAL 27 18.236 9.103 7.839 200 HG22 VAL 27 HG22 VAL 27 19.401 7.966 7.161 201 HG23 VAL 27 HG23 VAL 27 19.539 9.687 6.803 202 H CYS 28 H CYS 28 15.415 7.251 5.703 203 HA CYS 28 HA CYS 28 13.869 7.487 8.142 204 HB2 CYS 28 HB2 CYS 28 13.967 5.310 6.043 205 HB3 CYS 28 HB3 CYS 28 12.850 5.344 7.403 206 H VAL 29 H VAL 29 14.074 6.247 9.962 207 HA VAL 29 HA VAL 29 16.240 4.268 10.049 208 HB VAL 29 HB VAL 29 16.856 5.165 12.336 209 HG11 VAL 29 HG11 VAL 29 17.913 5.660 9.926 210 HG12 VAL 29 HG12 VAL 29 17.513 7.310 10.411 211 HG13 VAL 29 HG13 VAL 29 18.572 6.324 11.421 212 HG21 VAL 29 HG21 VAL 29 15.366 7.592 11.341 213 HG22 VAL 29 HG22 VAL 29 14.859 6.549 12.670 214 HG23 VAL 29 HG23 VAL 29 16.339 7.498 12.809 215 H LYS 30 H LYS 30 16.187 3.106 12.256 216 HA LYS 30 HA LYS 30 13.626 1.916 12.537 217 HB2 LYS 30 HB2 LYS 30 15.990 0.923 12.978 218 HB3 LYS 30 HB3 LYS 30 15.808 1.628 14.578 219 HG2 LYS 30 HG2 LYS 30 13.952 0.266 15.080 220 HG3 LYS 30 HG3 LYS 30 13.767 -0.229 13.396 221 HD2 LYS 30 HD2 LYS 30 16.343 -0.818 14.764 222 HD3 LYS 30 HD3 LYS 30 14.932 -1.793 15.183 223 HE2 LYS 30 HE2 LYS 30 14.841 -1.701 12.432 224 HE3 LYS 30 HE3 LYS 30 16.568 -1.798 12.770 225 HZ1 LYS 30 HZ1 LYS 30 15.207 -3.957 12.546 226 HZ2 LYS 30 HZ2 LYS 30 14.695 -3.624 14.124 227 HZ3 LYS 30 HZ3 LYS 30 16.341 -3.835 13.796 228 H GLY 31 H GLY 31 12.191 1.952 14.293 229 HA2 GLY 31 HA2 GLY 31 12.592 4.149 16.220 230 HA3 GLY 31 HA3 GLY 31 11.078 3.996 15.341
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