NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637422 | 6d8y | 30465 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 11.832 16.436 22.640 2 H2 ALA 1 H2 ALA 1 12.220 17.442 23.866 3 H3 ALA 1 H3 ALA 1 12.823 15.902 23.843 4 HA ALA 1 HA ALA 1 13.394 17.846 21.721 5 HB1 ALA 1 HB1 ALA 1 15.598 18.215 22.696 6 HB2 ALA 1 HB2 ALA 1 14.356 18.669 23.882 7 HB3 ALA 1 HB3 ALA 1 15.231 17.121 24.037 8 H PHE 2 H PHE 2 14.760 16.987 20.087 9 HA PHE 2 HA PHE 2 15.828 14.245 20.448 10 HB2 PHE 2 HB2 PHE 2 14.284 14.882 17.933 11 HB3 PHE 2 HB3 PHE 2 14.797 13.323 18.536 12 HD1 PHE 2 HD1 PHE 2 13.615 12.549 20.827 13 HD2 PHE 2 HD2 PHE 2 12.060 15.486 18.078 14 HE1 PHE 2 HE1 PHE 2 11.330 12.215 21.752 15 HE2 PHE 2 HE2 PHE 2 9.781 15.154 19.005 16 HZ PHE 2 HZ PHE 2 9.419 13.535 20.854 17 H CYS 3 H CYS 3 17.482 13.684 18.959 18 HA CYS 3 HA CYS 3 18.844 15.858 17.517 19 HB2 CYS 3 HB2 CYS 3 19.352 12.876 17.908 20 HB3 CYS 3 HB3 CYS 3 20.291 13.878 16.822 21 H ASN 4 H ASN 4 16.705 16.255 16.248 22 HA ASN 4 HA ASN 4 15.835 14.180 14.495 23 HB2 ASN 4 HB2 ASN 4 14.702 16.496 15.587 24 HB3 ASN 4 HB3 ASN 4 14.927 16.971 13.936 25 HD21 ASN 4 HD21 ASN 4 12.821 14.118 12.809 26 HD22 ASN 4 HD22 ASN 4 14.455 14.683 12.490 27 H LEU 5 H LEU 5 18.392 15.675 14.147 28 HA LEU 5 HA LEU 5 19.947 16.481 12.691 29 HB2 LEU 5 HB2 LEU 5 20.144 14.046 13.083 30 HB3 LEU 5 HB3 LEU 5 19.257 13.751 11.593 31 HG LEU 5 HG LEU 5 21.069 15.011 10.339 32 HD11 LEU 5 HD11 LEU 5 22.483 14.903 13.043 33 HD12 LEU 5 HD12 LEU 5 23.271 15.250 11.496 34 HD13 LEU 5 HD13 LEU 5 22.065 16.371 12.118 35 HD21 LEU 5 HD21 LEU 5 21.995 12.623 11.986 36 HD22 LEU 5 HD22 LEU 5 21.013 12.543 10.507 37 HD23 LEU 5 HD23 LEU 5 22.665 13.165 10.430 38 H ARG 6 H ARG 6 17.639 14.927 10.684 39 HA ARG 6 HA ARG 6 18.087 16.434 8.200 40 HB2 ARG 6 HB2 ARG 6 15.718 14.797 9.146 41 HB3 ARG 6 HB3 ARG 6 15.907 15.439 7.509 42 HG2 ARG 6 HG2 ARG 6 17.879 14.098 7.100 43 HG3 ARG 6 HG3 ARG 6 17.909 13.503 8.763 44 HD2 ARG 6 HD2 ARG 6 15.722 12.945 6.723 45 HD3 ARG 6 HD3 ARG 6 16.968 11.823 7.255 46 HE ARG 6 HE ARG 6 16.020 11.752 9.458 47 HH11 ARG 6 HH11 ARG 6 13.753 13.242 7.144 48 HH12 ARG 6 HH12 ARG 6 12.423 12.845 8.220 49 HH21 ARG 6 HH21 ARG 6 14.407 11.892 10.844 50 HH22 ARG 6 HH22 ARG 6 12.805 12.384 10.352 51 H ARG 7 H ARG 7 15.618 16.596 10.795 52 HA ARG 7 HA ARG 7 14.572 19.197 9.804 53 HB2 ARG 7 HB2 ARG 7 13.811 17.377 12.113 54 HB3 ARG 7 HB3 ARG 7 13.211 19.018 11.983 55 HG2 ARG 7 HG2 ARG 7 11.528 17.704 11.084 56 HG3 ARG 7 HG3 ARG 7 12.312 18.435 9.679 57 HD2 ARG 7 HD2 ARG 7 13.454 16.335 9.166 58 HD3 ARG 7 HD3 ARG 7 12.920 15.630 10.692 59 HE ARG 7 HE ARG 7 10.676 15.525 9.926 60 HH11 ARG 7 HH11 ARG 7 12.770 16.657 7.298 61 HH12 ARG 7 HH12 ARG 7 11.711 16.022 6.079 62 HH21 ARG 7 HH21 ARG 7 9.354 14.825 8.310 63 HH22 ARG 7 HH22 ARG 7 9.775 15.109 6.638 64 H CYS 8 H CYS 8 16.808 18.036 12.287 65 HA CYS 8 HA CYS 8 17.022 20.372 13.851 66 HB2 CYS 8 HB2 CYS 8 18.088 18.324 14.505 67 HB3 CYS 8 HB3 CYS 8 19.072 18.327 13.044 68 H GLU 9 H GLU 9 18.917 19.442 10.902 69 HA GLU 9 HA GLU 9 20.498 21.734 10.512 70 HB2 GLU 9 HB2 GLU 9 19.188 19.804 8.564 71 HB3 GLU 9 HB3 GLU 9 20.359 21.003 8.055 72 HG2 GLU 9 HG2 GLU 9 21.209 19.204 10.310 73 HG3 GLU 9 HG3 GLU 9 20.966 18.445 8.741 74 H LEU 10 H LEU 10 17.182 21.131 9.249 75 HA LEU 10 HA LEU 10 16.999 23.644 7.855 76 HB2 LEU 10 HB2 LEU 10 14.752 21.877 8.881 77 HB3 LEU 10 HB3 LEU 10 14.609 23.176 7.693 78 HG LEU 10 HG LEU 10 16.126 20.571 7.376 79 HD11 LEU 10 HD11 LEU 10 13.690 21.712 5.934 80 HD12 LEU 10 HD12 LEU 10 14.456 20.142 5.605 81 HD13 LEU 10 HD13 LEU 10 13.660 20.427 7.160 82 HD21 LEU 10 HD21 LEU 10 15.899 22.918 5.437 83 HD22 LEU 10 HD22 LEU 10 17.393 22.262 6.146 84 HD23 LEU 10 HD23 LEU 10 16.479 21.294 4.992 85 H SER 11 H SER 11 16.230 22.751 11.184 86 HA SER 11 HA SER 11 14.970 25.261 11.888 87 HB2 SER 11 HB2 SER 11 14.840 23.155 13.251 88 HB3 SER 11 HB3 SER 11 16.530 23.417 13.726 89 HG SER 11 HG SER 11 14.225 24.964 14.274 90 H CYS 12 H CYS 12 18.371 24.091 12.141 91 HA CYS 12 HA CYS 12 19.501 26.477 13.150 92 HB2 CYS 12 HB2 CYS 12 20.640 24.156 11.563 93 HB3 CYS 12 HB3 CYS 12 21.632 25.461 12.192 94 H ARG 13 H ARG 13 18.681 25.790 9.743 95 HA ARG 13 HA ARG 13 20.233 27.880 8.561 96 HB2 ARG 13 HB2 ARG 13 17.439 27.089 7.748 97 HB3 ARG 13 HB3 ARG 13 18.646 27.888 6.760 98 HG2 ARG 13 HG2 ARG 13 18.600 25.030 7.669 99 HG3 ARG 13 HG3 ARG 13 18.484 25.658 6.034 100 HD2 ARG 13 HD2 ARG 13 20.864 26.447 6.234 101 HD3 ARG 13 HD3 ARG 13 20.936 25.670 7.819 102 HE ARG 13 HE ARG 13 20.324 24.193 5.271 103 HH11 ARG 13 HH11 ARG 13 22.134 24.236 8.312 104 HH12 ARG 13 HH12 ARG 13 22.623 22.568 8.069 105 HH21 ARG 13 HH21 ARG 13 21.096 22.168 5.059 106 HH22 ARG 13 HH22 ARG 13 22.424 21.635 6.075 107 H SER 14 H SER 14 17.528 28.210 10.737 108 HA SER 14 HA SER 14 16.596 30.808 10.123 109 HB2 SER 14 HB2 SER 14 16.218 31.059 12.556 110 HB3 SER 14 HB3 SER 14 15.596 29.545 11.916 111 HG SER 14 HG SER 14 17.103 28.428 12.913 112 H LEU 15 H LEU 15 19.701 29.874 11.661 113 HA LEU 15 HA LEU 15 20.582 32.726 11.437 114 HB2 LEU 15 HB2 LEU 15 21.551 30.517 13.268 115 HB3 LEU 15 HB3 LEU 15 22.238 32.140 13.193 116 HG LEU 15 HG LEU 15 19.384 31.458 14.033 117 HD11 LEU 15 HD11 LEU 15 21.800 32.306 15.687 118 HD12 LEU 15 HD12 LEU 15 20.148 32.054 16.294 119 HD13 LEU 15 HD13 LEU 15 21.067 30.684 15.654 120 HD21 LEU 15 HD21 LEU 15 19.479 33.730 13.102 121 HD22 LEU 15 HD22 LEU 15 19.324 33.808 14.856 122 HD23 LEU 15 HD23 LEU 15 20.905 34.105 14.099 123 H GLY 16 H GLY 16 20.578 30.239 9.506 124 HA2 GLY 16 HA2 GLY 16 21.829 29.723 7.648 125 HA3 GLY 16 HA3 GLY 16 23.007 30.955 8.102 126 H LEU 17 H LEU 17 22.192 28.363 10.358 127 HA LEU 17 HA LEU 17 25.028 27.527 10.278 128 HB2 LEU 17 HB2 LEU 17 22.978 26.901 12.382 129 HB3 LEU 17 HB3 LEU 17 24.703 26.739 12.538 130 HG LEU 17 HG LEU 17 23.267 29.373 12.188 131 HD11 LEU 17 HD11 LEU 17 22.525 28.368 14.294 132 HD12 LEU 17 HD12 LEU 17 24.234 28.188 14.794 133 HD13 LEU 17 HD13 LEU 17 23.537 29.794 14.560 134 HD21 LEU 17 HD21 LEU 17 26.004 28.667 13.277 135 HD22 LEU 17 HD22 LEU 17 25.720 29.317 11.640 136 HD23 LEU 17 HD23 LEU 17 25.367 30.322 13.060 137 H LEU 18 H LEU 18 25.592 25.414 10.744 138 HA LEU 18 HA LEU 18 24.039 23.216 9.510 139 HB2 LEU 18 HB2 LEU 18 26.758 23.419 10.827 140 HB3 LEU 18 HB3 LEU 18 26.066 21.870 10.348 141 HG LEU 18 HG LEU 18 26.443 24.155 8.381 142 HD11 LEU 18 HD11 LEU 18 28.540 23.035 7.689 143 HD12 LEU 18 HD12 LEU 18 28.629 23.646 9.346 144 HD13 LEU 18 HD13 LEU 18 28.383 21.908 9.059 145 HD21 LEU 18 HD21 LEU 18 24.939 22.341 7.632 146 HD22 LEU 18 HD22 LEU 18 26.451 22.315 6.718 147 HD23 LEU 18 HD23 LEU 18 26.184 21.140 8.024 148 H GLY 19 H GLY 19 23.137 21.558 10.643 149 HA2 GLY 19 HA2 GLY 19 22.712 21.954 13.602 150 HA3 GLY 19 HA3 GLY 19 21.528 21.243 12.509 151 H LYS 20 H LYS 20 23.388 20.410 14.960 152 HA LYS 20 HA LYS 20 24.099 17.691 13.967 153 HB2 LYS 20 HB2 LYS 20 25.867 19.576 15.521 154 HB3 LYS 20 HB3 LYS 20 26.191 17.858 15.238 155 HG2 LYS 20 HG2 LYS 20 26.013 18.301 12.733 156 HG3 LYS 20 HG3 LYS 20 25.879 20.026 13.111 157 HD2 LYS 20 HD2 LYS 20 28.122 19.743 12.635 158 HD3 LYS 20 HD3 LYS 20 28.002 19.833 14.397 159 HE2 LYS 20 HE2 LYS 20 29.577 18.115 13.925 160 HE3 LYS 20 HE3 LYS 20 28.112 17.297 14.467 161 HZ1 LYS 20 HZ1 LYS 20 28.936 17.649 11.628 162 HZ2 LYS 20 HZ2 LYS 20 29.131 16.277 12.506 163 HZ3 LYS 20 HZ3 LYS 20 27.615 16.790 12.129 164 H CYS 21 H CYS 21 24.371 16.106 15.589 165 HA CYS 21 HA CYS 21 22.549 16.406 17.912 166 HB2 CYS 21 HB2 CYS 21 22.404 14.425 16.408 167 HB3 CYS 21 HB3 CYS 21 24.052 13.995 16.840 168 H ILE 22 H ILE 22 23.170 16.538 19.984 169 HA ILE 22 HA ILE 22 25.947 15.835 20.772 170 HB ILE 22 HB ILE 22 26.045 17.841 22.213 171 HG12 ILE 22 HG12 ILE 22 23.799 19.103 20.605 172 HG13 ILE 22 HG13 ILE 22 23.422 18.183 22.052 173 HG21 ILE 22 HG21 ILE 22 25.760 18.550 19.270 174 HG22 ILE 22 HG22 ILE 22 26.702 19.417 20.493 175 HG23 ILE 22 HG23 ILE 22 27.173 17.780 20.018 176 HD11 ILE 22 HD11 ILE 22 24.945 19.621 23.393 177 HD12 ILE 22 HD12 ILE 22 25.242 20.606 21.943 178 HD13 ILE 22 HD13 ILE 22 23.615 20.517 22.644 179 H GLY 23 H GLY 23 24.144 14.027 21.137 180 HA2 GLY 23 HA2 GLY 23 23.400 12.563 22.768 181 HA3 GLY 23 HA3 GLY 23 23.914 13.695 24.020 182 H GLU 24 H GLU 24 21.381 12.770 21.866 183 HA GLU 24 HA GLU 24 19.122 12.860 21.889 184 HB2 GLU 24 HB2 GLU 24 19.429 13.655 24.807 185 HB3 GLU 24 HB3 GLU 24 17.920 13.247 24.014 186 HG2 GLU 24 HG2 GLU 24 18.493 11.258 25.018 187 HG3 GLU 24 HG3 GLU 24 18.959 11.024 23.344 188 H GLU 25 H GLU 25 20.756 15.756 22.090 189 HA GLU 25 HA GLU 25 18.301 17.271 21.328 190 HB2 GLU 25 HB2 GLU 25 18.649 17.893 23.547 191 HB3 GLU 25 HB3 GLU 25 20.403 17.939 23.378 192 HG2 GLU 25 HG2 GLU 25 20.336 20.002 22.164 193 HG3 GLU 25 HG3 GLU 25 18.582 19.918 21.989 194 H CYS 26 H CYS 26 18.465 18.741 19.793 195 HA CYS 26 HA CYS 26 20.761 18.700 17.942 196 HB2 CYS 26 HB2 CYS 26 18.585 18.631 17.007 197 HB3 CYS 26 HB3 CYS 26 17.989 19.897 18.033 198 H LYS 27 H LYS 27 22.311 20.242 17.812 199 HA LYS 27 HA LYS 27 21.737 22.990 18.751 200 HB2 LYS 27 HB2 LYS 27 22.900 21.622 20.634 201 HB3 LYS 27 HB3 LYS 27 24.324 21.662 19.609 202 HG2 LYS 27 HG2 LYS 27 24.684 23.541 20.939 203 HG3 LYS 27 HG3 LYS 27 23.902 24.276 19.561 204 HD2 LYS 27 HD2 LYS 27 22.840 25.244 21.412 205 HD3 LYS 27 HD3 LYS 27 21.685 23.992 20.915 206 HE2 LYS 27 HE2 LYS 27 22.536 22.483 22.673 207 HE3 LYS 27 HE3 LYS 27 23.804 23.642 23.081 208 HZ1 LYS 27 HZ1 LYS 27 20.890 24.038 23.484 209 HZ2 LYS 27 HZ2 LYS 27 22.051 23.888 24.642 210 HZ3 LYS 27 HZ3 LYS 27 21.996 25.226 23.700 211 H CYS 28 H CYS 28 22.574 24.518 17.507 212 HA CYS 28 HA CYS 28 23.703 23.747 14.965 213 HB2 CYS 28 HB2 CYS 28 23.248 26.506 16.113 214 HB3 CYS 28 HB3 CYS 28 23.438 26.101 14.414 215 H VAL 29 H VAL 29 25.549 25.078 13.973 216 HA VAL 29 HA VAL 29 27.736 25.625 15.897 217 HB VAL 29 HB VAL 29 29.334 24.235 14.769 218 HG11 VAL 29 HG11 VAL 29 28.620 22.052 15.491 219 HG12 VAL 29 HG12 VAL 29 28.093 23.274 16.662 220 HG13 VAL 29 HG13 VAL 29 26.927 22.556 15.522 221 HG21 VAL 29 HG21 VAL 29 28.401 24.134 12.480 222 HG22 VAL 29 HG22 VAL 29 28.718 22.526 13.125 223 HG23 VAL 29 HG23 VAL 29 27.051 23.139 13.090 224 HA PRO 30 HA PRO 30 28.337 29.046 13.304 225 HB2 PRO 30 HB2 PRO 30 30.829 29.944 14.025 226 HB3 PRO 30 HB3 PRO 30 29.412 29.930 15.108 227 HG2 PRO 30 HG2 PRO 30 31.627 27.869 14.909 228 HG3 PRO 30 HG3 PRO 30 31.001 28.673 16.383 229 HD2 PRO 30 HD2 PRO 30 30.147 26.212 15.615 230 HD3 PRO 30 HD3 PRO 30 29.026 27.394 16.354 231 H HIS 31 H HIS 31 30.207 26.347 12.548 232 HA HIS 31 HA HIS 31 32.166 27.055 10.840 233 HB2 HIS 31 HB2 HIS 31 30.282 24.669 10.755 234 HB3 HIS 31 HB3 HIS 31 31.856 24.739 9.962 235 HD2 HIS 31 HD2 HIS 31 33.792 23.890 11.305 236 HE1 HIS 31 HE1 HIS 31 32.298 24.203 15.269 237 HE2 HIS 31 HE2 HIS 31 34.248 23.347 13.847 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 15.363 19.458 22.846 2 H2 ALA 1 H2 ALA 1 14.681 20.802 22.161 3 H3 ALA 1 H3 ALA 1 16.246 20.419 21.852 4 HA ALA 1 HA ALA 1 13.904 18.845 21.028 5 HB1 ALA 1 HB1 ALA 1 15.864 20.496 19.381 6 HB2 ALA 1 HB2 ALA 1 14.568 19.471 18.729 7 HB3 ALA 1 HB3 ALA 1 14.158 20.893 19.705 8 H PHE 2 H PHE 2 14.318 16.880 19.992 9 HA PHE 2 HA PHE 2 16.575 15.424 21.049 10 HB2 PHE 2 HB2 PHE 2 14.484 14.606 19.012 11 HB3 PHE 2 HB3 PHE 2 15.527 13.527 19.919 12 HD1 PHE 2 HD1 PHE 2 12.291 14.909 19.832 13 HD2 PHE 2 HD2 PHE 2 15.424 13.776 22.573 14 HE1 PHE 2 HE1 PHE 2 10.625 14.710 21.656 15 HE2 PHE 2 HE2 PHE 2 13.748 13.603 24.401 16 HZ PHE 2 HZ PHE 2 11.350 14.077 23.945 17 H CYS 3 H CYS 3 17.700 13.770 19.459 18 HA CYS 3 HA CYS 3 19.394 15.286 17.668 19 HB2 CYS 3 HB2 CYS 3 19.301 12.429 18.605 20 HB3 CYS 3 HB3 CYS 3 20.366 12.927 17.302 21 H ASN 4 H ASN 4 16.946 15.671 16.580 22 HA ASN 4 HA ASN 4 15.967 13.965 14.627 23 HB2 ASN 4 HB2 ASN 4 16.073 16.960 14.993 24 HB3 ASN 4 HB3 ASN 4 15.381 16.306 13.519 25 HD21 ASN 4 HD21 ASN 4 12.398 15.390 15.074 26 HD22 ASN 4 HD22 ASN 4 13.301 15.503 13.576 27 H LEU 5 H LEU 5 18.290 16.227 14.307 28 HA LEU 5 HA LEU 5 19.991 16.963 13.020 29 HB2 LEU 5 HB2 LEU 5 20.856 14.781 13.436 30 HB3 LEU 5 HB3 LEU 5 19.946 14.089 12.118 31 HG LEU 5 HG LEU 5 22.366 14.370 11.780 32 HD11 LEU 5 HD11 LEU 5 22.334 15.023 9.483 33 HD12 LEU 5 HD12 LEU 5 20.799 14.208 9.820 34 HD13 LEU 5 HD13 LEU 5 20.875 15.986 9.681 35 HD21 LEU 5 HD21 LEU 5 21.837 17.349 11.501 36 HD22 LEU 5 HD22 LEU 5 22.658 16.566 12.881 37 HD23 LEU 5 HD23 LEU 5 23.372 16.500 11.266 38 H ARG 6 H ARG 6 17.865 14.982 11.043 39 HA ARG 6 HA ARG 6 18.272 16.522 8.642 40 HB2 ARG 6 HB2 ARG 6 17.620 14.260 8.376 41 HB3 ARG 6 HB3 ARG 6 16.231 14.417 9.420 42 HG2 ARG 6 HG2 ARG 6 15.718 14.162 7.012 43 HG3 ARG 6 HG3 ARG 6 14.930 15.527 7.777 44 HD2 ARG 6 HD2 ARG 6 15.882 15.826 5.396 45 HD3 ARG 6 HD3 ARG 6 16.159 17.104 6.569 46 HE ARG 6 HE ARG 6 18.211 14.975 6.097 47 HH11 ARG 6 HH11 ARG 6 17.622 18.426 6.583 48 HH12 ARG 6 HH12 ARG 6 19.354 18.703 6.557 49 HH21 ARG 6 HH21 ARG 6 20.271 15.508 6.235 50 HH22 ARG 6 HH22 ARG 6 20.746 17.195 6.413 51 H ARG 7 H ARG 7 15.392 16.399 10.716 52 HA ARG 7 HA ARG 7 14.351 18.922 9.641 53 HB2 ARG 7 HB2 ARG 7 13.555 17.420 12.163 54 HB3 ARG 7 HB3 ARG 7 12.670 18.734 11.413 55 HG2 ARG 7 HG2 ARG 7 13.114 15.932 10.320 56 HG3 ARG 7 HG3 ARG 7 11.601 16.632 10.842 57 HD2 ARG 7 HD2 ARG 7 13.182 17.584 8.400 58 HD3 ARG 7 HD3 ARG 7 11.945 16.337 8.375 59 HE ARG 7 HE ARG 7 11.126 18.948 9.518 60 HH11 ARG 7 HH11 ARG 7 11.116 17.014 6.567 61 HH12 ARG 7 HH12 ARG 7 9.527 17.584 6.124 62 HH21 ARG 7 HH21 ARG 7 9.351 19.820 8.754 63 HH22 ARG 7 HH22 ARG 7 8.507 19.124 7.365 64 H CYS 8 H CYS 8 16.395 18.169 12.418 65 HA CYS 8 HA CYS 8 16.336 20.666 13.725 66 HB2 CYS 8 HB2 CYS 8 17.400 18.658 14.650 67 HB3 CYS 8 HB3 CYS 8 18.618 18.703 13.369 68 H GLU 9 H GLU 9 18.411 19.720 10.911 69 HA GLU 9 HA GLU 9 19.900 22.111 10.663 70 HB2 GLU 9 HB2 GLU 9 18.935 20.022 8.690 71 HB3 GLU 9 HB3 GLU 9 19.851 21.428 8.137 72 HG2 GLU 9 HG2 GLU 9 21.760 20.869 9.445 73 HG3 GLU 9 HG3 GLU 9 20.896 19.625 10.341 74 H LEU 10 H LEU 10 16.551 21.508 9.588 75 HA LEU 10 HA LEU 10 16.356 23.661 7.726 76 HB2 LEU 10 HB2 LEU 10 14.174 22.513 9.508 77 HB3 LEU 10 HB3 LEU 10 13.912 23.490 8.071 78 HG LEU 10 HG LEU 10 15.201 20.729 8.098 79 HD11 LEU 10 HD11 LEU 10 13.096 19.967 7.097 80 HD12 LEU 10 HD12 LEU 10 12.809 20.685 8.696 81 HD13 LEU 10 HD13 LEU 10 12.420 21.605 7.229 82 HD21 LEU 10 HD21 LEU 10 14.285 22.494 5.780 83 HD22 LEU 10 HD22 LEU 10 15.964 22.080 6.178 84 HD23 LEU 10 HD23 LEU 10 14.857 20.816 5.640 85 H SER 11 H SER 11 15.842 23.625 11.227 86 HA SER 11 HA SER 11 15.074 26.428 11.430 87 HB2 SER 11 HB2 SER 11 15.951 24.453 13.552 88 HB3 SER 11 HB3 SER 11 15.123 25.994 13.833 89 HG SER 11 HG SER 11 13.351 25.179 12.636 90 H CYS 12 H CYS 12 18.148 24.791 11.308 91 HA CYS 12 HA CYS 12 19.635 26.979 12.618 92 HB2 CYS 12 HB2 CYS 12 20.534 24.451 11.192 93 HB3 CYS 12 HB3 CYS 12 21.593 25.579 12.011 94 H ARG 13 H ARG 13 19.054 25.798 9.289 95 HA ARG 13 HA ARG 13 20.820 27.369 7.818 96 HB2 ARG 13 HB2 ARG 13 17.978 26.459 7.262 97 HB3 ARG 13 HB3 ARG 13 18.910 27.378 6.069 98 HG2 ARG 13 HG2 ARG 13 20.601 25.706 5.893 99 HG3 ARG 13 HG3 ARG 13 20.013 24.842 7.311 100 HD2 ARG 13 HD2 ARG 13 19.412 23.635 5.317 101 HD3 ARG 13 HD3 ARG 13 17.956 24.204 6.141 102 HE ARG 13 HE ARG 13 18.292 26.180 4.315 103 HH11 ARG 13 HH11 ARG 13 18.017 22.683 3.899 104 HH12 ARG 13 HH12 ARG 13 17.735 22.884 2.172 105 HH21 ARG 13 HH21 ARG 13 17.796 26.251 2.144 106 HH22 ARG 13 HH22 ARG 13 17.095 24.810 1.424 107 H SER 14 H SER 14 17.846 28.466 9.337 108 HA SER 14 HA SER 14 17.522 31.015 8.217 109 HB2 SER 14 HB2 SER 14 16.885 30.079 11.043 110 HB3 SER 14 HB3 SER 14 16.148 31.449 10.196 111 HG SER 14 HG SER 14 15.203 30.088 8.754 112 H LEU 15 H LEU 15 20.159 30.139 10.321 113 HA LEU 15 HA LEU 15 20.807 33.047 10.624 114 HB2 LEU 15 HB2 LEU 15 21.303 30.771 12.576 115 HB3 LEU 15 HB3 LEU 15 21.987 32.386 12.754 116 HG LEU 15 HG LEU 15 19.003 31.791 12.714 117 HD11 LEU 15 HD11 LEU 15 19.115 32.155 15.141 118 HD12 LEU 15 HD12 LEU 15 20.132 30.787 14.663 119 HD13 LEU 15 HD13 LEU 15 20.878 32.352 15.053 120 HD21 LEU 15 HD21 LEU 15 18.833 34.072 13.708 121 HD22 LEU 15 HD22 LEU 15 20.575 34.305 13.468 122 HD23 LEU 15 HD23 LEU 15 19.491 34.124 12.069 123 H GLY 16 H GLY 16 21.565 30.580 8.778 124 HA2 GLY 16 HA2 GLY 16 23.449 30.282 7.420 125 HA3 GLY 16 HA3 GLY 16 24.415 31.297 8.482 126 H LEU 17 H LEU 17 22.570 28.597 9.858 127 HA LEU 17 HA LEU 17 25.168 27.295 10.567 128 HB2 LEU 17 HB2 LEU 17 22.594 27.245 12.131 129 HB3 LEU 17 HB3 LEU 17 24.166 26.714 12.690 130 HG LEU 17 HG LEU 17 23.301 29.525 12.078 131 HD11 LEU 17 HD11 LEU 17 23.714 28.332 14.823 132 HD12 LEU 17 HD12 LEU 17 23.195 29.973 14.421 133 HD13 LEU 17 HD13 LEU 17 22.127 28.619 14.051 134 HD21 LEU 17 HD21 LEU 17 25.762 29.177 11.895 135 HD22 LEU 17 HD22 LEU 17 25.361 30.197 13.290 136 HD23 LEU 17 HD23 LEU 17 25.741 28.471 13.536 137 H LEU 18 H LEU 18 25.058 25.113 11.168 138 HA LEU 18 HA LEU 18 23.018 23.403 9.806 139 HB2 LEU 18 HB2 LEU 18 25.964 22.908 10.383 140 HB3 LEU 18 HB3 LEU 18 24.844 21.598 10.007 141 HG LEU 18 HG LEU 18 25.336 23.948 8.138 142 HD11 LEU 18 HD11 LEU 18 26.526 21.142 8.098 143 HD12 LEU 18 HD12 LEU 18 26.730 22.380 6.838 144 HD13 LEU 18 HD13 LEU 18 27.401 22.649 8.451 145 HD21 LEU 18 HD21 LEU 18 23.998 21.238 7.717 146 HD22 LEU 18 HD22 LEU 18 23.192 22.828 7.702 147 HD23 LEU 18 HD23 LEU 18 24.352 22.418 6.442 148 H GLY 19 H GLY 19 22.425 21.489 10.990 149 HA2 GLY 19 HA2 GLY 19 22.297 21.907 13.943 150 HA3 GLY 19 HA3 GLY 19 21.315 20.786 13.001 151 H LYS 20 H LYS 20 23.276 20.524 15.376 152 HA LYS 20 HA LYS 20 24.498 17.970 14.412 153 HB2 LYS 20 HB2 LYS 20 25.855 20.104 16.097 154 HB3 LYS 20 HB3 LYS 20 26.450 18.456 15.947 155 HG2 LYS 20 HG2 LYS 20 26.183 20.417 13.634 156 HG3 LYS 20 HG3 LYS 20 27.649 20.104 14.570 157 HD2 LYS 20 HD2 LYS 20 27.530 17.684 13.866 158 HD3 LYS 20 HD3 LYS 20 26.191 18.123 12.777 159 HE2 LYS 20 HE2 LYS 20 27.658 19.792 11.653 160 HE3 LYS 20 HE3 LYS 20 28.954 19.410 12.799 161 HZ1 LYS 20 HZ1 LYS 20 28.992 17.143 11.894 162 HZ2 LYS 20 HZ2 LYS 20 27.837 17.511 10.812 163 HZ3 LYS 20 HZ3 LYS 20 29.305 18.257 10.728 164 H CYS 21 H CYS 21 24.206 16.308 15.686 165 HA CYS 21 HA CYS 21 22.613 16.456 18.141 166 HB2 CYS 21 HB2 CYS 21 22.294 14.623 16.560 167 HB3 CYS 21 HB3 CYS 21 24.006 14.230 16.647 168 H ILE 22 H ILE 22 23.290 16.285 20.169 169 HA ILE 22 HA ILE 22 26.058 15.540 20.886 170 HB ILE 22 HB ILE 22 26.045 17.465 22.565 171 HG12 ILE 22 HG12 ILE 22 24.011 18.672 20.621 172 HG13 ILE 22 HG13 ILE 22 23.623 18.102 22.244 173 HG21 ILE 22 HG21 ILE 22 26.292 18.234 19.643 174 HG22 ILE 22 HG22 ILE 22 27.155 18.939 21.023 175 HG23 ILE 22 HG23 ILE 22 27.493 17.280 20.544 176 HD11 ILE 22 HD11 ILE 22 23.904 20.485 22.325 177 HD12 ILE 22 HD12 ILE 22 25.298 19.760 23.156 178 HD13 ILE 22 HD13 ILE 22 25.470 20.406 21.507 179 H GLY 23 H GLY 23 24.491 13.690 21.058 180 HA2 GLY 23 HA2 GLY 23 23.834 12.004 22.474 181 HA3 GLY 23 HA3 GLY 23 24.342 12.999 23.841 182 H GLU 24 H GLU 24 21.717 12.113 21.749 183 HA GLU 24 HA GLU 24 19.463 12.169 21.905 184 HB2 GLU 24 HB2 GLU 24 19.692 12.827 24.848 185 HB3 GLU 24 HB3 GLU 24 18.347 12.067 24.006 186 HG2 GLU 24 HG2 GLU 24 19.801 10.111 23.478 187 HG3 GLU 24 HG3 GLU 24 21.103 10.834 24.431 188 H GLU 25 H GLU 25 21.102 14.965 21.979 189 HA GLU 25 HA GLU 25 18.662 16.623 21.725 190 HB2 GLU 25 HB2 GLU 25 19.476 16.889 24.012 191 HB3 GLU 25 HB3 GLU 25 21.088 17.312 23.429 192 HG2 GLU 25 HG2 GLU 25 20.296 19.397 22.505 193 HG3 GLU 25 HG3 GLU 25 18.605 18.918 22.713 194 H CYS 26 H CYS 26 18.776 18.244 20.160 195 HA CYS 26 HA CYS 26 21.325 18.447 18.610 196 HB2 CYS 26 HB2 CYS 26 19.413 17.339 17.453 197 HB3 CYS 26 HB3 CYS 26 18.530 18.856 17.530 198 H LYS 27 H LYS 27 22.074 20.369 17.969 199 HA LYS 27 HA LYS 27 20.780 22.952 18.552 200 HB2 LYS 27 HB2 LYS 27 22.907 21.725 20.265 201 HB3 LYS 27 HB3 LYS 27 23.236 23.373 19.757 202 HG2 LYS 27 HG2 LYS 27 21.385 24.274 20.856 203 HG3 LYS 27 HG3 LYS 27 20.515 22.750 20.901 204 HD2 LYS 27 HD2 LYS 27 21.241 23.381 23.115 205 HD3 LYS 27 HD3 LYS 27 21.968 21.856 22.620 206 HE2 LYS 27 HE2 LYS 27 24.103 22.987 22.130 207 HE3 LYS 27 HE3 LYS 27 23.380 24.559 22.491 208 HZ1 LYS 27 HZ1 LYS 27 23.095 23.875 24.783 209 HZ2 LYS 27 HZ2 LYS 27 23.661 22.364 24.480 210 HZ3 LYS 27 HZ3 LYS 27 24.669 23.660 24.357 211 H CYS 28 H CYS 28 22.003 24.771 17.605 212 HA CYS 28 HA CYS 28 23.030 23.900 15.020 213 HB2 CYS 28 HB2 CYS 28 22.468 26.671 16.082 214 HB3 CYS 28 HB3 CYS 28 22.824 26.266 14.411 215 H VAL 29 H VAL 29 24.863 24.907 13.941 216 HA VAL 29 HA VAL 29 27.047 25.919 15.639 217 HB VAL 29 HB VAL 29 28.695 24.382 14.867 218 HG11 VAL 29 HG11 VAL 29 27.501 23.792 16.952 219 HG12 VAL 29 HG12 VAL 29 26.408 22.750 16.013 220 HG13 VAL 29 HG13 VAL 29 28.138 22.382 16.098 221 HG21 VAL 29 HG21 VAL 29 26.511 22.831 13.437 222 HG22 VAL 29 HG22 VAL 29 27.871 23.681 12.673 223 HG23 VAL 29 HG23 VAL 29 28.184 22.280 13.682 224 HA PRO 30 HA PRO 30 27.851 28.180 11.841 225 HB2 PRO 30 HB2 PRO 30 30.055 29.563 12.515 226 HB3 PRO 30 HB3 PRO 30 28.529 29.778 13.433 227 HG2 PRO 30 HG2 PRO 30 30.878 28.003 14.174 228 HG3 PRO 30 HG3 PRO 30 30.063 29.239 15.192 229 HD2 PRO 30 HD2 PRO 30 29.409 26.565 15.265 230 HD3 PRO 30 HD3 PRO 30 28.206 27.854 15.544 231 H HIS 31 H HIS 31 29.628 25.550 12.859 232 HA HIS 31 HA HIS 31 31.986 25.684 11.225 233 HB2 HIS 31 HB2 HIS 31 30.731 23.224 12.449 234 HB3 HIS 31 HB3 HIS 31 32.418 23.447 11.998 235 HD2 HIS 31 HD2 HIS 31 30.759 22.963 14.995 236 HE1 HIS 31 HE1 HIS 31 33.135 26.333 16.067 237 HE2 HIS 31 HE2 HIS 31 31.712 24.416 16.974 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 12.580 12.746 24.204 2 H2 ALA 1 H2 ALA 1 11.970 12.464 22.690 3 H3 ALA 1 H3 ALA 1 11.210 13.501 23.693 4 HA ALA 1 HA ALA 1 12.395 14.718 22.030 5 HB1 ALA 1 HB1 ALA 1 13.487 14.989 24.860 6 HB2 ALA 1 HB2 ALA 1 13.669 16.195 23.577 7 HB3 ALA 1 HB3 ALA 1 12.059 15.802 24.173 8 H PHE 2 H PHE 2 13.514 13.343 20.555 9 HA PHE 2 HA PHE 2 16.414 12.969 21.176 10 HB2 PHE 2 HB2 PHE 2 14.635 11.163 19.512 11 HB3 PHE 2 HB3 PHE 2 16.319 10.910 19.905 12 HD1 PHE 2 HD1 PHE 2 16.903 10.904 22.524 13 HD2 PHE 2 HD2 PHE 2 13.041 10.000 20.839 14 HE1 PHE 2 HE1 PHE 2 16.285 9.680 24.592 15 HE2 PHE 2 HE2 PHE 2 12.418 8.792 22.912 16 HZ PHE 2 HZ PHE 2 14.038 8.631 24.793 17 H CYS 3 H CYS 3 17.699 12.653 19.028 18 HA CYS 3 HA CYS 3 17.554 15.234 17.785 19 HB2 CYS 3 HB2 CYS 3 19.297 12.784 17.443 20 HB3 CYS 3 HB3 CYS 3 19.536 14.235 16.483 21 H ASN 4 H ASN 4 16.306 15.853 16.136 22 HA ASN 4 HA ASN 4 15.079 14.141 14.169 23 HB2 ASN 4 HB2 ASN 4 15.589 17.148 14.334 24 HB3 ASN 4 HB3 ASN 4 14.726 16.378 13.006 25 HD21 ASN 4 HD21 ASN 4 11.732 15.973 14.745 26 HD22 ASN 4 HD22 ASN 4 12.734 15.139 13.553 27 H LEU 5 H LEU 5 17.638 16.111 14.263 28 HA LEU 5 HA LEU 5 19.539 16.749 13.268 29 HB2 LEU 5 HB2 LEU 5 20.077 14.432 13.538 30 HB3 LEU 5 HB3 LEU 5 19.314 14.022 12.024 31 HG LEU 5 HG LEU 5 21.769 14.056 12.045 32 HD11 LEU 5 HD11 LEU 5 22.117 14.915 9.881 33 HD12 LEU 5 HD12 LEU 5 20.431 14.404 9.913 34 HD13 LEU 5 HD13 LEU 5 20.856 16.131 10.033 35 HD21 LEU 5 HD21 LEU 5 22.087 16.023 13.522 36 HD22 LEU 5 HD22 LEU 5 23.071 16.069 12.059 37 HD23 LEU 5 HD23 LEU 5 21.626 17.086 12.166 38 H ARG 6 H ARG 6 17.299 15.426 10.846 39 HA ARG 6 HA ARG 6 18.293 17.291 8.780 40 HB2 ARG 6 HB2 ARG 6 17.444 15.079 8.144 41 HB3 ARG 6 HB3 ARG 6 15.851 15.489 8.749 42 HG2 ARG 6 HG2 ARG 6 15.637 15.734 6.466 43 HG3 ARG 6 HG3 ARG 6 15.820 17.399 6.993 44 HD2 ARG 6 HD2 ARG 6 18.085 15.662 5.909 45 HD3 ARG 6 HD3 ARG 6 17.085 16.684 4.897 46 HE ARG 6 HE ARG 6 19.200 17.537 6.783 47 HH11 ARG 6 HH11 ARG 6 20.189 19.339 6.391 48 HH12 ARG 6 HH12 ARG 6 19.591 20.502 5.216 49 HH21 ARG 6 HH21 ARG 6 16.772 18.683 4.435 50 HH22 ARG 6 HH22 ARG 6 17.837 19.989 4.006 51 H ARG 7 H ARG 7 15.073 17.057 10.409 52 HA ARG 7 HA ARG 7 14.324 19.768 9.812 53 HB2 ARG 7 HB2 ARG 7 13.456 17.899 12.042 54 HB3 ARG 7 HB3 ARG 7 12.729 19.487 11.770 55 HG2 ARG 7 HG2 ARG 7 11.856 18.898 9.662 56 HG3 ARG 7 HG3 ARG 7 12.939 17.527 9.464 57 HD2 ARG 7 HD2 ARG 7 11.764 16.346 11.339 58 HD3 ARG 7 HD3 ARG 7 10.580 17.654 11.379 59 HE ARG 7 HE ARG 7 10.993 15.613 9.252 60 HH11 ARG 7 HH11 ARG 7 9.248 18.551 10.109 61 HH12 ARG 7 HH12 ARG 7 8.325 18.521 8.631 62 HH21 ARG 7 HH21 ARG 7 9.546 15.504 7.527 63 HH22 ARG 7 HH22 ARG 7 8.352 16.774 7.366 64 H CYS 8 H CYS 8 16.305 18.548 12.490 65 HA CYS 8 HA CYS 8 16.724 21.060 13.774 66 HB2 CYS 8 HB2 CYS 8 17.505 18.905 14.676 67 HB3 CYS 8 HB3 CYS 8 18.683 18.798 13.367 68 H GLU 9 H GLU 9 18.730 19.709 11.023 69 HA GLU 9 HA GLU 9 20.338 22.026 10.630 70 HB2 GLU 9 HB2 GLU 9 19.432 19.785 8.794 71 HB3 GLU 9 HB3 GLU 9 20.470 21.090 8.226 72 HG2 GLU 9 HG2 GLU 9 22.224 20.503 9.769 73 HG3 GLU 9 HG3 GLU 9 21.239 19.251 10.521 74 H LEU 10 H LEU 10 17.111 21.271 9.287 75 HA LEU 10 HA LEU 10 16.953 23.538 7.515 76 HB2 LEU 10 HB2 LEU 10 14.774 21.964 8.956 77 HB3 LEU 10 HB3 LEU 10 14.465 23.163 7.707 78 HG LEU 10 HG LEU 10 16.065 20.616 7.309 79 HD11 LEU 10 HD11 LEU 10 13.651 20.193 7.738 80 HD12 LEU 10 HD12 LEU 10 13.240 21.292 6.409 81 HD13 LEU 10 HD13 LEU 10 14.127 19.787 6.087 82 HD21 LEU 10 HD21 LEU 10 15.075 22.756 5.364 83 HD22 LEU 10 HD22 LEU 10 16.765 22.297 5.682 84 HD23 LEU 10 HD23 LEU 10 15.676 21.174 4.854 85 H SER 11 H SER 11 15.815 23.139 10.907 86 HA SER 11 HA SER 11 14.930 25.874 11.142 87 HB2 SER 11 HB2 SER 11 15.819 23.985 13.351 88 HB3 SER 11 HB3 SER 11 14.916 25.497 13.557 89 HG SER 11 HG SER 11 13.507 24.217 11.808 90 H CYS 12 H CYS 12 18.109 24.357 11.934 91 HA CYS 12 HA CYS 12 19.353 26.668 13.007 92 HB2 CYS 12 HB2 CYS 12 20.447 24.295 11.461 93 HB3 CYS 12 HB3 CYS 12 21.466 25.523 12.172 94 H ARG 13 H ARG 13 18.770 25.850 9.592 95 HA ARG 13 HA ARG 13 20.541 27.720 8.420 96 HB2 ARG 13 HB2 ARG 13 19.068 25.825 7.347 97 HB3 ARG 13 HB3 ARG 13 17.845 27.089 7.208 98 HG2 ARG 13 HG2 ARG 13 19.646 28.509 6.019 99 HG3 ARG 13 HG3 ARG 13 20.652 27.068 5.981 100 HD2 ARG 13 HD2 ARG 13 17.850 27.280 4.840 101 HD3 ARG 13 HD3 ARG 13 19.325 27.588 3.908 102 HE ARG 13 HE ARG 13 19.610 25.004 4.988 103 HH11 ARG 13 HH11 ARG 13 17.384 26.658 2.764 104 HH12 ARG 13 HH12 ARG 13 17.132 25.159 1.863 105 HH21 ARG 13 HH21 ARG 13 19.208 23.197 3.626 106 HH22 ARG 13 HH22 ARG 13 18.036 23.395 2.321 107 H SER 14 H SER 14 17.589 28.452 10.172 108 HA SER 14 HA SER 14 16.966 30.962 8.977 109 HB2 SER 14 HB2 SER 14 15.518 29.913 10.647 110 HB3 SER 14 HB3 SER 14 16.765 30.142 11.891 111 HG SER 14 HG SER 14 15.756 31.914 12.224 112 H LEU 15 H LEU 15 19.645 30.120 11.111 113 HA LEU 15 HA LEU 15 20.696 32.915 10.906 114 HB2 LEU 15 HB2 LEU 15 21.325 30.812 12.996 115 HB3 LEU 15 HB3 LEU 15 21.975 32.454 12.945 116 HG LEU 15 HG LEU 15 19.047 31.707 13.370 117 HD11 LEU 15 HD11 LEU 15 20.473 31.073 15.272 118 HD12 LEU 15 HD12 LEU 15 21.148 32.720 15.330 119 HD13 LEU 15 HD13 LEU 15 19.428 32.437 15.690 120 HD21 LEU 15 HD21 LEU 15 18.757 34.066 14.041 121 HD22 LEU 15 HD22 LEU 15 20.437 34.411 13.581 122 HD23 LEU 15 HD23 LEU 15 19.243 33.943 12.345 123 H GLY 16 H GLY 16 20.806 30.621 8.990 124 HA2 GLY 16 HA2 GLY 16 22.258 29.893 7.371 125 HA3 GLY 16 HA3 GLY 16 23.537 30.858 8.107 126 H LEU 17 H LEU 17 22.614 28.981 10.598 127 HA LEU 17 HA LEU 17 25.072 27.535 10.581 128 HB2 LEU 17 HB2 LEU 17 22.791 26.969 12.459 129 HB3 LEU 17 HB3 LEU 17 24.491 26.863 12.807 130 HG LEU 17 HG LEU 17 22.998 29.441 12.319 131 HD11 LEU 17 HD11 LEU 17 22.890 29.863 14.677 132 HD12 LEU 17 HD12 LEU 17 22.011 28.380 14.287 133 HD13 LEU 17 HD13 LEU 17 23.639 28.310 15.037 134 HD21 LEU 17 HD21 LEU 17 25.539 28.921 13.844 135 HD22 LEU 17 HD22 LEU 17 25.537 29.438 12.136 136 HD23 LEU 17 HD23 LEU 17 24.890 30.514 13.400 137 H LEU 18 H LEU 18 25.353 25.279 11.022 138 HA LEU 18 HA LEU 18 23.274 23.436 9.889 139 HB2 LEU 18 HB2 LEU 18 26.265 23.072 10.277 140 HB3 LEU 18 HB3 LEU 18 25.171 21.710 10.046 141 HG LEU 18 HG LEU 18 25.606 23.957 8.045 142 HD11 LEU 18 HD11 LEU 18 27.514 22.359 8.283 143 HD12 LEU 18 HD12 LEU 18 26.404 21.002 7.989 144 HD13 LEU 18 HD13 LEU 18 26.714 22.203 6.719 145 HD21 LEU 18 HD21 LEU 18 23.927 21.409 7.849 146 HD22 LEU 18 HD22 LEU 18 23.324 23.088 7.781 147 HD23 LEU 18 HD23 LEU 18 24.338 22.468 6.488 148 H GLY 19 H GLY 19 22.755 21.577 11.045 149 HA2 GLY 19 HA2 GLY 19 22.850 21.872 14.016 150 HA3 GLY 19 HA3 GLY 19 21.639 20.970 13.113 151 H LYS 20 H LYS 20 23.702 20.274 15.286 152 HA LYS 20 HA LYS 20 24.350 17.605 14.136 153 HB2 LYS 20 HB2 LYS 20 26.368 19.367 15.606 154 HB3 LYS 20 HB3 LYS 20 26.505 17.623 15.449 155 HG2 LYS 20 HG2 LYS 20 27.787 18.159 13.678 156 HG3 LYS 20 HG3 LYS 20 26.243 18.091 12.856 157 HD2 LYS 20 HD2 LYS 20 26.102 20.630 13.132 158 HD3 LYS 20 HD3 LYS 20 27.743 20.602 13.767 159 HE2 LYS 20 HE2 LYS 20 27.080 19.293 11.110 160 HE3 LYS 20 HE3 LYS 20 27.255 21.045 11.182 161 HZ1 LYS 20 HZ1 LYS 20 29.277 19.580 10.635 162 HZ2 LYS 20 HZ2 LYS 20 29.499 20.886 11.582 163 HZ3 LYS 20 HZ3 LYS 20 29.431 19.403 12.286 164 H CYS 21 H CYS 21 24.075 15.929 15.525 165 HA CYS 21 HA CYS 21 22.523 16.417 17.972 166 HB2 CYS 21 HB2 CYS 21 22.067 14.533 16.355 167 HB3 CYS 21 HB3 CYS 21 23.600 13.827 16.870 168 H ILE 22 H ILE 22 23.361 16.604 20.004 169 HA ILE 22 HA ILE 22 25.880 15.162 20.633 170 HB ILE 22 HB ILE 22 25.464 18.016 21.567 171 HG12 ILE 22 HG12 ILE 22 27.267 17.161 19.264 172 HG13 ILE 22 HG13 ILE 22 25.787 18.113 19.112 173 HG21 ILE 22 HG21 ILE 22 27.773 17.814 22.324 174 HG22 ILE 22 HG22 ILE 22 26.881 16.430 22.936 175 HG23 ILE 22 HG23 ILE 22 27.944 16.238 21.530 176 HD11 ILE 22 HD11 ILE 22 27.616 19.624 18.984 177 HD12 ILE 22 HD12 ILE 22 26.794 19.901 20.532 178 HD13 ILE 22 HD13 ILE 22 28.339 19.013 20.477 179 H GLY 23 H GLY 23 25.338 13.802 22.237 180 HA2 GLY 23 HA2 GLY 23 24.409 12.990 24.200 181 HA3 GLY 23 HA3 GLY 23 24.242 14.678 24.722 182 H GLU 24 H GLU 24 22.694 12.883 22.046 183 HA GLU 24 HA GLU 24 20.565 12.693 21.333 184 HB2 GLU 24 HB2 GLU 24 19.685 12.615 24.221 185 HB3 GLU 24 HB3 GLU 24 18.909 11.882 22.825 186 HG2 GLU 24 HG2 GLU 24 21.460 11.035 24.231 187 HG3 GLU 24 HG3 GLU 24 19.945 10.143 24.088 188 H GLU 25 H GLU 25 21.481 15.572 22.327 189 HA GLU 25 HA GLU 25 18.902 16.770 21.442 190 HB2 GLU 25 HB2 GLU 25 19.300 17.296 23.838 191 HB3 GLU 25 HB3 GLU 25 20.855 18.019 23.367 192 HG2 GLU 25 HG2 GLU 25 19.489 19.575 21.826 193 HG3 GLU 25 HG3 GLU 25 18.055 18.978 22.650 194 H CYS 26 H CYS 26 19.033 17.623 19.517 195 HA CYS 26 HA CYS 26 21.603 18.180 18.272 196 HB2 CYS 26 HB2 CYS 26 19.624 17.213 17.079 197 HB3 CYS 26 HB3 CYS 26 18.823 18.775 17.261 198 H LYS 27 H LYS 27 22.635 20.009 18.039 199 HA LYS 27 HA LYS 27 21.368 22.615 18.769 200 HB2 LYS 27 HB2 LYS 27 24.032 21.508 19.754 201 HB3 LYS 27 HB3 LYS 27 23.759 23.233 19.567 202 HG2 LYS 27 HG2 LYS 27 23.241 23.016 21.767 203 HG3 LYS 27 HG3 LYS 27 21.654 22.911 21.034 204 HD2 LYS 27 HD2 LYS 27 21.761 21.278 22.755 205 HD3 LYS 27 HD3 LYS 27 21.830 20.385 21.230 206 HE2 LYS 27 HE2 LYS 27 24.323 20.233 21.491 207 HE3 LYS 27 HE3 LYS 27 24.189 21.102 23.025 208 HZ1 LYS 27 HZ1 LYS 27 22.806 19.230 23.855 209 HZ2 LYS 27 HZ2 LYS 27 23.050 18.406 22.444 210 HZ3 LYS 27 HZ3 LYS 27 24.287 18.749 23.452 211 H CYS 28 H CYS 28 22.234 24.410 17.712 212 HA CYS 28 HA CYS 28 23.341 23.866 15.033 213 HB2 CYS 28 HB2 CYS 28 22.677 26.499 16.354 214 HB3 CYS 28 HB3 CYS 28 23.009 26.231 14.646 215 H VAL 29 H VAL 29 25.259 25.151 14.262 216 HA VAL 29 HA VAL 29 27.253 25.631 16.433 217 HB VAL 29 HB VAL 29 29.009 24.515 15.310 218 HG11 VAL 29 HG11 VAL 29 27.539 23.212 16.852 219 HG12 VAL 29 HG12 VAL 29 26.651 22.595 15.447 220 HG13 VAL 29 HG13 VAL 29 28.375 22.219 15.654 221 HG21 VAL 29 HG21 VAL 29 27.020 23.682 13.157 222 HG22 VAL 29 HG22 VAL 29 28.444 24.729 12.951 223 HG23 VAL 29 HG23 VAL 29 28.663 23.032 13.357 224 HA PRO 30 HA PRO 30 27.560 29.460 14.473 225 HB2 PRO 30 HB2 PRO 30 29.841 30.525 15.483 226 HB3 PRO 30 HB3 PRO 30 28.439 30.107 16.501 227 HG2 PRO 30 HG2 PRO 30 30.909 28.416 15.973 228 HG3 PRO 30 HG3 PRO 30 30.203 28.891 17.556 229 HD2 PRO 30 HD2 PRO 30 29.622 26.500 16.394 230 HD3 PRO 30 HD3 PRO 30 28.369 27.413 17.274 231 H HIS 31 H HIS 31 29.878 27.112 13.572 232 HA HIS 31 HA HIS 31 31.722 28.408 12.021 233 HB2 HIS 31 HB2 HIS 31 30.486 25.662 11.627 234 HB3 HIS 31 HB3 HIS 31 32.011 26.215 10.938 235 HD2 HIS 31 HD2 HIS 31 34.074 26.632 12.553 236 HE1 HIS 31 HE1 HIS 31 32.373 25.067 16.128 237 HE2 HIS 31 HE2 HIS 31 34.549 25.870 15.014 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 12.279 10.627 22.658 2 H2 ALA 1 H2 ALA 1 10.888 11.157 23.351 3 H3 ALA 1 H3 ALA 1 12.321 11.466 24.096 4 HA ALA 1 HA ALA 1 11.604 12.478 21.429 5 HB1 ALA 1 HB1 ALA 1 10.081 13.439 23.085 6 HB2 ALA 1 HB2 ALA 1 11.445 13.931 24.104 7 HB3 ALA 1 HB3 ALA 1 11.211 14.663 22.506 8 H PHE 2 H PHE 2 13.455 12.764 20.334 9 HA PHE 2 HA PHE 2 15.942 13.610 21.756 10 HB2 PHE 2 HB2 PHE 2 15.701 11.218 19.900 11 HB3 PHE 2 HB3 PHE 2 17.160 11.772 20.721 12 HD1 PHE 2 HD1 PHE 2 17.079 11.887 23.335 13 HD2 PHE 2 HD2 PHE 2 14.401 9.518 20.927 14 HE1 PHE 2 HE1 PHE 2 16.675 10.376 25.268 15 HE2 PHE 2 HE2 PHE 2 13.962 8.048 22.885 16 HZ PHE 2 HZ PHE 2 15.105 8.461 25.044 17 H CYS 3 H CYS 3 17.541 13.021 19.367 18 HA CYS 3 HA CYS 3 17.402 15.599 18.115 19 HB2 CYS 3 HB2 CYS 3 18.987 13.049 17.631 20 HB3 CYS 3 HB3 CYS 3 19.240 14.519 16.688 21 H ASN 4 H ASN 4 16.132 16.232 16.460 22 HA ASN 4 HA ASN 4 14.789 14.489 14.605 23 HB2 ASN 4 HB2 ASN 4 15.420 17.462 14.638 24 HB3 ASN 4 HB3 ASN 4 14.542 16.693 13.329 25 HD21 ASN 4 HD21 ASN 4 11.530 16.565 15.054 26 HD22 ASN 4 HD22 ASN 4 12.418 16.012 13.640 27 H LEU 5 H LEU 5 17.428 16.376 14.480 28 HA LEU 5 HA LEU 5 19.345 16.832 13.352 29 HB2 LEU 5 HB2 LEU 5 19.955 14.598 13.854 30 HB3 LEU 5 HB3 LEU 5 19.021 13.975 12.504 31 HG LEU 5 HG LEU 5 20.582 15.071 10.896 32 HD11 LEU 5 HD11 LEU 5 22.739 15.993 11.768 33 HD12 LEU 5 HD12 LEU 5 21.360 16.992 12.221 34 HD13 LEU 5 HD13 LEU 5 22.095 15.891 13.418 35 HD21 LEU 5 HD21 LEU 5 21.995 13.379 13.005 36 HD22 LEU 5 HD22 LEU 5 21.011 12.759 11.660 37 HD23 LEU 5 HD23 LEU 5 22.521 13.622 11.326 38 H ARG 6 H ARG 6 17.013 15.207 11.223 39 HA ARG 6 HA ARG 6 18.031 16.611 8.839 40 HB2 ARG 6 HB2 ARG 6 15.588 14.828 9.204 41 HB3 ARG 6 HB3 ARG 6 16.102 15.525 7.668 42 HG2 ARG 6 HG2 ARG 6 18.279 14.368 7.843 43 HG3 ARG 6 HG3 ARG 6 17.795 13.642 9.378 44 HD2 ARG 6 HD2 ARG 6 16.346 13.255 6.729 45 HD3 ARG 6 HD3 ARG 6 17.544 12.119 7.401 46 HE ARG 6 HE ARG 6 15.834 12.200 9.454 47 HH11 ARG 6 HH11 ARG 6 15.095 11.695 6.060 48 HH12 ARG 6 HH12 ARG 6 13.616 10.827 6.462 49 HH21 ARG 6 HH21 ARG 6 13.894 11.230 9.864 50 HH22 ARG 6 HH22 ARG 6 12.861 10.821 8.545 51 H ARG 7 H ARG 7 15.134 17.040 10.837 52 HA ARG 7 HA ARG 7 14.420 19.575 9.545 53 HB2 ARG 7 HB2 ARG 7 12.854 17.896 10.778 54 HB3 ARG 7 HB3 ARG 7 13.453 18.640 12.267 55 HG2 ARG 7 HG2 ARG 7 12.739 20.900 11.202 56 HG3 ARG 7 HG3 ARG 7 11.915 19.935 9.974 57 HD2 ARG 7 HD2 ARG 7 11.392 19.963 12.974 58 HD3 ARG 7 HD3 ARG 7 10.350 20.625 11.712 59 HE ARG 7 HE ARG 7 10.726 17.824 11.206 60 HH11 ARG 7 HH11 ARG 7 9.022 19.848 13.576 61 HH12 ARG 7 HH12 ARG 7 7.924 18.509 13.915 62 HH21 ARG 7 HH21 ARG 7 9.303 16.305 11.769 63 HH22 ARG 7 HH22 ARG 7 8.023 16.679 12.944 64 H CYS 8 H CYS 8 16.131 18.630 12.535 65 HA CYS 8 HA CYS 8 16.650 21.146 13.648 66 HB2 CYS 8 HB2 CYS 8 17.335 19.054 14.692 67 HB3 CYS 8 HB3 CYS 8 18.464 18.745 13.386 68 H GLU 9 H GLU 9 18.606 19.593 11.008 69 HA GLU 9 HA GLU 9 20.370 21.723 10.492 70 HB2 GLU 9 HB2 GLU 9 19.130 19.531 8.812 71 HB3 GLU 9 HB3 GLU 9 20.160 20.718 8.042 72 HG2 GLU 9 HG2 GLU 9 21.144 19.183 10.470 73 HG3 GLU 9 HG3 GLU 9 21.198 18.488 8.846 74 H LEU 10 H LEU 10 16.982 21.399 9.343 75 HA LEU 10 HA LEU 10 17.102 23.709 7.573 76 HB2 LEU 10 HB2 LEU 10 14.669 22.386 8.849 77 HB3 LEU 10 HB3 LEU 10 14.658 23.511 7.507 78 HG LEU 10 HG LEU 10 15.858 20.724 7.449 79 HD11 LEU 10 HD11 LEU 10 13.380 20.760 7.570 80 HD12 LEU 10 HD12 LEU 10 13.332 21.833 6.156 81 HD13 LEU 10 HD13 LEU 10 13.956 20.177 6.003 82 HD21 LEU 10 HD21 LEU 10 15.980 21.093 4.991 83 HD22 LEU 10 HD22 LEU 10 15.509 22.788 5.234 84 HD23 LEU 10 HD23 LEU 10 17.050 22.175 5.889 85 H SER 11 H SER 11 16.043 23.216 10.958 86 HA SER 11 HA SER 11 15.152 25.916 11.384 87 HB2 SER 11 HB2 SER 11 14.654 23.872 12.799 88 HB3 SER 11 HB3 SER 11 16.282 24.030 13.479 89 HG SER 11 HG SER 11 14.044 25.757 13.673 90 H CYS 12 H CYS 12 18.354 24.362 11.884 91 HA CYS 12 HA CYS 12 19.726 26.713 12.784 92 HB2 CYS 12 HB2 CYS 12 20.717 24.248 11.291 93 HB3 CYS 12 HB3 CYS 12 21.748 25.435 12.054 94 H ARG 13 H ARG 13 19.044 25.511 9.484 95 HA ARG 13 HA ARG 13 20.652 27.368 8.050 96 HB2 ARG 13 HB2 ARG 13 19.403 25.248 7.301 97 HB3 ARG 13 HB3 ARG 13 17.997 26.287 7.040 98 HG2 ARG 13 HG2 ARG 13 19.238 27.600 5.396 99 HG3 ARG 13 HG3 ARG 13 20.748 26.793 5.799 100 HD2 ARG 13 HD2 ARG 13 18.285 25.434 4.624 101 HD3 ARG 13 HD3 ARG 13 19.742 25.933 3.689 102 HE ARG 13 HE ARG 13 20.832 24.320 5.555 103 HH11 ARG 13 HH11 ARG 13 18.266 23.745 3.255 104 HH12 ARG 13 HH12 ARG 13 18.430 22.013 3.434 105 HH21 ARG 13 HH21 ARG 13 20.821 22.141 5.917 106 HH22 ARG 13 HH22 ARG 13 19.761 21.136 4.945 107 H SER 14 H SER 14 17.533 27.903 9.635 108 HA SER 14 HA SER 14 16.885 30.400 8.408 109 HB2 SER 14 HB2 SER 14 16.334 29.581 11.277 110 HB3 SER 14 HB3 SER 14 15.446 30.769 10.313 111 HG SER 14 HG SER 14 15.142 28.814 8.826 112 H LEU 15 H LEU 15 19.572 29.690 10.452 113 HA LEU 15 HA LEU 15 19.996 32.568 11.126 114 HB2 LEU 15 HB2 LEU 15 20.621 30.027 12.663 115 HB3 LEU 15 HB3 LEU 15 21.096 31.647 13.181 116 HG LEU 15 HG LEU 15 18.197 30.744 12.828 117 HD11 LEU 15 HD11 LEU 15 19.268 29.395 14.541 118 HD12 LEU 15 HD12 LEU 15 19.931 30.852 15.316 119 HD13 LEU 15 HD13 LEU 15 18.174 30.568 15.286 120 HD21 LEU 15 HD21 LEU 15 17.698 32.707 14.235 121 HD22 LEU 15 HD22 LEU 15 19.421 33.143 14.262 122 HD23 LEU 15 HD23 LEU 15 18.499 33.201 12.741 123 H GLY 16 H GLY 16 21.031 30.362 8.965 124 HA2 GLY 16 HA2 GLY 16 22.973 30.107 7.745 125 HA3 GLY 16 HA3 GLY 16 23.687 31.461 8.633 126 H LEU 17 H LEU 17 22.457 28.552 10.229 127 HA LEU 17 HA LEU 17 25.227 27.848 11.113 128 HB2 LEU 17 HB2 LEU 17 22.628 27.155 12.487 129 HB3 LEU 17 HB3 LEU 17 24.247 27.023 13.149 130 HG LEU 17 HG LEU 17 22.753 29.546 12.469 131 HD11 LEU 17 HD11 LEU 17 22.490 29.979 14.824 132 HD12 LEU 17 HD12 LEU 17 21.745 28.431 14.420 133 HD13 LEU 17 HD13 LEU 17 23.336 28.489 15.240 134 HD21 LEU 17 HD21 LEU 17 25.181 29.839 12.340 135 HD22 LEU 17 HD22 LEU 17 24.519 30.686 13.744 136 HD23 LEU 17 HD23 LEU 17 25.318 29.116 13.993 137 H LEU 18 H LEU 18 25.465 25.547 11.721 138 HA LEU 18 HA LEU 18 23.911 23.637 10.019 139 HB2 LEU 18 HB2 LEU 18 26.831 23.584 10.865 140 HB3 LEU 18 HB3 LEU 18 25.980 22.145 10.298 141 HG LEU 18 HG LEU 18 26.177 24.678 8.633 142 HD11 LEU 18 HD11 LEU 18 27.979 23.536 7.393 143 HD12 LEU 18 HD12 LEU 18 28.435 23.794 9.088 144 HD13 LEU 18 HD13 LEU 18 27.919 22.183 8.546 145 HD21 LEU 18 HD21 LEU 18 24.370 23.164 7.933 146 HD22 LEU 18 HD22 LEU 18 25.687 23.131 6.752 147 HD23 LEU 18 HD23 LEU 18 25.498 21.801 7.916 148 H GLY 19 H GLY 19 23.139 21.844 10.992 149 HA2 GLY 19 HA2 GLY 19 23.015 21.920 13.993 150 HA3 GLY 19 HA3 GLY 19 21.786 21.247 12.931 151 H LYS 20 H LYS 20 23.726 20.210 15.194 152 HA LYS 20 HA LYS 20 23.704 17.523 14.017 153 HB2 LYS 20 HB2 LYS 20 25.893 16.856 14.416 154 HB3 LYS 20 HB3 LYS 20 25.987 18.322 13.469 155 HG2 LYS 20 HG2 LYS 20 26.496 18.131 16.474 156 HG3 LYS 20 HG3 LYS 20 27.721 18.093 15.206 157 HD2 LYS 20 HD2 LYS 20 27.009 20.404 14.499 158 HD3 LYS 20 HD3 LYS 20 25.889 20.437 15.868 159 HE2 LYS 20 HE2 LYS 20 27.876 21.614 16.509 160 HE3 LYS 20 HE3 LYS 20 27.783 20.114 17.440 161 HZ1 LYS 20 HZ1 LYS 20 30.001 20.600 16.567 162 HZ2 LYS 20 HZ2 LYS 20 29.459 19.153 16.006 163 HZ3 LYS 20 HZ3 LYS 20 29.466 20.451 15.010 164 H CYS 21 H CYS 21 23.958 15.783 15.554 165 HA CYS 21 HA CYS 21 22.429 16.433 17.970 166 HB2 CYS 21 HB2 CYS 21 21.915 14.545 16.417 167 HB3 CYS 21 HB3 CYS 21 23.418 13.781 16.910 168 H ILE 22 H ILE 22 23.281 16.832 19.923 169 HA ILE 22 HA ILE 22 26.088 16.134 20.559 170 HB ILE 22 HB ILE 22 24.099 17.697 22.214 171 HG12 ILE 22 HG12 ILE 22 24.303 18.918 20.142 172 HG13 ILE 22 HG13 ILE 22 25.187 19.753 21.399 173 HG21 ILE 22 HG21 ILE 22 26.018 16.893 23.521 174 HG22 ILE 22 HG22 ILE 22 27.139 17.516 22.306 175 HG23 ILE 22 HG23 ILE 22 26.159 18.632 23.277 176 HD11 ILE 22 HD11 ILE 22 26.399 19.815 19.276 177 HD12 ILE 22 HD12 ILE 22 27.337 18.919 20.477 178 HD13 ILE 22 HD13 ILE 22 26.448 18.046 19.205 179 H GLY 23 H GLY 23 25.208 13.907 20.224 180 HA2 GLY 23 HA2 GLY 23 24.900 11.774 21.112 181 HA3 GLY 23 HA3 GLY 23 24.742 12.461 22.727 182 H GLU 24 H GLU 24 22.589 14.010 22.718 183 HA GLU 24 HA GLU 24 20.281 12.641 21.444 184 HB2 GLU 24 HB2 GLU 24 19.283 11.932 23.518 185 HB3 GLU 24 HB3 GLU 24 20.898 11.254 23.358 186 HG2 GLU 24 HG2 GLU 24 21.701 13.176 24.878 187 HG3 GLU 24 HG3 GLU 24 20.007 13.569 25.153 188 H GLU 25 H GLU 25 21.503 15.513 21.952 189 HA GLU 25 HA GLU 25 18.852 16.787 21.770 190 HB2 GLU 25 HB2 GLU 25 19.483 17.259 24.068 191 HB3 GLU 25 HB3 GLU 25 21.089 17.809 23.573 192 HG2 GLU 25 HG2 GLU 25 20.134 19.692 22.346 193 HG3 GLU 25 HG3 GLU 25 18.495 19.115 22.667 194 H CYS 26 H CYS 26 18.816 18.093 19.930 195 HA CYS 26 HA CYS 26 21.319 18.177 18.385 196 HB2 CYS 26 HB2 CYS 26 19.042 17.558 17.442 197 HB3 CYS 26 HB3 CYS 26 18.672 19.291 17.505 198 H LYS 27 H LYS 27 22.323 20.031 17.564 199 HA LYS 27 HA LYS 27 21.621 22.640 18.808 200 HB2 LYS 27 HB2 LYS 27 23.078 21.098 20.270 201 HB3 LYS 27 HB3 LYS 27 24.391 21.426 19.141 202 HG2 LYS 27 HG2 LYS 27 24.283 23.804 19.635 203 HG3 LYS 27 HG3 LYS 27 22.798 23.613 20.574 204 HD2 LYS 27 HD2 LYS 27 25.513 22.432 21.321 205 HD3 LYS 27 HD3 LYS 27 24.783 23.884 22.020 206 HE2 LYS 27 HE2 LYS 27 22.844 22.537 22.827 207 HE3 LYS 27 HE3 LYS 27 23.580 21.087 22.146 208 HZ1 LYS 27 HZ1 LYS 27 24.194 21.014 24.318 209 HZ2 LYS 27 HZ2 LYS 27 25.551 21.688 23.674 210 HZ3 LYS 27 HZ3 LYS 27 24.463 22.613 24.483 211 H CYS 28 H CYS 28 22.086 24.338 17.612 212 HA CYS 28 HA CYS 28 23.390 24.035 15.017 213 HB2 CYS 28 HB2 CYS 28 22.376 26.538 16.370 214 HB3 CYS 28 HB3 CYS 28 22.817 26.360 14.679 215 H VAL 29 H VAL 29 25.186 25.291 14.283 216 HA VAL 29 HA VAL 29 26.865 26.692 16.248 217 HB VAL 29 HB VAL 29 28.939 25.524 15.511 218 HG11 VAL 29 HG11 VAL 29 28.784 23.704 17.069 219 HG12 VAL 29 HG12 VAL 29 27.876 25.076 17.705 220 HG13 VAL 29 HG13 VAL 29 27.015 23.702 16.987 221 HG21 VAL 29 HG21 VAL 29 28.847 23.259 14.636 222 HG22 VAL 29 HG22 VAL 29 27.084 23.344 14.480 223 HG23 VAL 29 HG23 VAL 29 28.123 24.374 13.476 224 HA PRO 30 HA PRO 30 27.292 29.284 12.769 225 HB2 PRO 30 HB2 PRO 30 29.154 31.066 13.569 226 HB3 PRO 30 HB3 PRO 30 27.630 30.832 14.465 227 HG2 PRO 30 HG2 PRO 30 30.310 29.571 15.074 228 HG3 PRO 30 HG3 PRO 30 29.254 30.505 16.193 229 HD2 PRO 30 HD2 PRO 30 29.173 27.775 16.076 230 HD3 PRO 30 HD3 PRO 30 27.695 28.749 16.327 231 H HIS 31 H HIS 31 29.844 27.170 13.402 232 HA HIS 31 HA HIS 31 31.774 28.045 11.503 233 HB2 HIS 31 HB2 HIS 31 31.449 25.418 12.980 234 HB3 HIS 31 HB3 HIS 31 32.906 25.944 12.119 235 HD2 HIS 31 HD2 HIS 31 34.040 28.262 13.034 236 HE1 HIS 31 HE1 HIS 31 32.171 28.340 16.834 237 HE2 HIS 31 HE2 HIS 31 34.037 29.339 15.454 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 14.416 11.173 25.687 2 H2 ALA 1 H2 ALA 1 13.575 10.146 24.725 3 H3 ALA 1 H3 ALA 1 12.775 11.338 25.520 4 HA ALA 1 HA ALA 1 12.986 11.940 23.240 5 HB1 ALA 1 HB1 ALA 1 13.146 13.749 24.994 6 HB2 ALA 1 HB2 ALA 1 14.918 13.613 24.903 7 HB3 ALA 1 HB3 ALA 1 13.988 14.130 23.481 8 H PHE 2 H PHE 2 14.315 12.367 21.415 9 HA PHE 2 HA PHE 2 17.167 11.587 21.480 10 HB2 PHE 2 HB2 PHE 2 15.090 10.382 19.612 11 HB3 PHE 2 HB3 PHE 2 16.832 10.205 19.433 12 HD1 PHE 2 HD1 PHE 2 13.893 8.810 20.962 13 HD2 PHE 2 HD2 PHE 2 18.167 9.149 21.396 14 HE1 PHE 2 HE1 PHE 2 13.901 6.857 22.484 15 HE2 PHE 2 HE2 PHE 2 18.160 7.189 22.912 16 HZ PHE 2 HZ PHE 2 16.029 6.040 23.475 17 H CYS 3 H CYS 3 18.241 12.127 19.381 18 HA CYS 3 HA CYS 3 17.785 14.892 18.719 19 HB2 CYS 3 HB2 CYS 3 19.637 12.704 17.719 20 HB3 CYS 3 HB3 CYS 3 19.618 14.286 16.974 21 H ASN 4 H ASN 4 17.200 15.863 16.876 22 HA ASN 4 HA ASN 4 16.015 14.335 14.611 23 HB2 ASN 4 HB2 ASN 4 16.052 17.244 15.444 24 HB3 ASN 4 HB3 ASN 4 15.724 16.805 13.773 25 HD21 ASN 4 HD21 ASN 4 14.605 16.541 17.063 26 HD22 ASN 4 HD22 ASN 4 13.031 15.868 16.589 27 H LEU 5 H LEU 5 16.843 15.014 12.393 28 HA LEU 5 HA LEU 5 19.485 16.291 12.383 29 HB2 LEU 5 HB2 LEU 5 19.592 13.652 12.474 30 HB3 LEU 5 HB3 LEU 5 19.237 13.767 10.763 31 HG LEU 5 HG LEU 5 21.577 13.524 11.235 32 HD11 LEU 5 HD11 LEU 5 20.873 14.843 9.246 33 HD12 LEU 5 HD12 LEU 5 21.145 16.331 10.176 34 HD13 LEU 5 HD13 LEU 5 22.494 15.234 9.826 35 HD21 LEU 5 HD21 LEU 5 21.632 16.243 12.596 36 HD22 LEU 5 HD22 LEU 5 21.646 14.681 13.453 37 HD23 LEU 5 HD23 LEU 5 22.972 15.112 12.360 38 H ARG 6 H ARG 6 17.036 14.790 10.162 39 HA ARG 6 HA ARG 6 17.358 16.838 8.184 40 HB2 ARG 6 HB2 ARG 6 15.197 16.117 7.267 41 HB3 ARG 6 HB3 ARG 6 16.325 14.794 7.540 42 HG2 ARG 6 HG2 ARG 6 15.103 14.188 9.620 43 HG3 ARG 6 HG3 ARG 6 13.909 15.450 9.281 44 HD2 ARG 6 HD2 ARG 6 14.515 13.033 7.529 45 HD3 ARG 6 HD3 ARG 6 13.177 13.177 8.676 46 HE ARG 6 HE ARG 6 13.264 15.304 6.659 47 HH11 ARG 6 HH11 ARG 6 11.604 12.276 7.552 48 HH12 ARG 6 HH12 ARG 6 10.487 12.521 6.212 49 HH21 ARG 6 HH21 ARG 6 11.793 15.396 5.067 50 HH22 ARG 6 HH22 ARG 6 10.532 14.159 4.980 51 H ARG 7 H ARG 7 14.837 16.733 10.782 52 HA ARG 7 HA ARG 7 13.919 19.430 10.185 53 HB2 ARG 7 HB2 ARG 7 13.629 17.702 12.674 54 HB3 ARG 7 HB3 ARG 7 12.859 19.276 12.453 55 HG2 ARG 7 HG2 ARG 7 11.611 18.437 10.502 56 HG3 ARG 7 HG3 ARG 7 12.417 16.869 10.623 57 HD2 ARG 7 HD2 ARG 7 10.154 16.794 11.584 58 HD3 ARG 7 HD3 ARG 7 11.407 16.434 12.783 59 HE ARG 7 HE ARG 7 10.387 19.236 12.589 60 HH11 ARG 7 HH11 ARG 7 10.228 16.251 14.462 61 HH12 ARG 7 HH12 ARG 7 10.071 17.151 15.949 62 HH21 ARG 7 HH21 ARG 7 9.913 20.221 14.397 63 HH22 ARG 7 HH22 ARG 7 9.444 19.327 15.834 64 H CYS 8 H CYS 8 16.266 18.179 12.475 65 HA CYS 8 HA CYS 8 16.923 20.600 13.827 66 HB2 CYS 8 HB2 CYS 8 17.659 18.453 14.649 67 HB3 CYS 8 HB3 CYS 8 18.591 18.159 13.185 68 H GLU 9 H GLU 9 18.532 19.235 10.843 69 HA GLU 9 HA GLU 9 20.244 21.518 10.525 70 HB2 GLU 9 HB2 GLU 9 19.304 19.385 8.566 71 HB3 GLU 9 HB3 GLU 9 20.287 20.774 8.094 72 HG2 GLU 9 HG2 GLU 9 21.888 20.101 10.006 73 HG3 GLU 9 HG3 GLU 9 21.065 18.551 10.003 74 H LEU 10 H LEU 10 16.914 20.918 9.203 75 HA LEU 10 HA LEU 10 16.879 23.292 7.612 76 HB2 LEU 10 HB2 LEU 10 14.612 21.903 9.095 77 HB3 LEU 10 HB3 LEU 10 14.381 23.165 7.885 78 HG LEU 10 HG LEU 10 15.733 20.494 7.373 79 HD11 LEU 10 HD11 LEU 10 12.930 21.442 6.688 80 HD12 LEU 10 HD12 LEU 10 13.659 19.901 6.177 81 HD13 LEU 10 HD13 LEU 10 13.360 20.206 7.893 82 HD21 LEU 10 HD21 LEU 10 15.381 21.063 4.970 83 HD22 LEU 10 HD22 LEU 10 14.811 22.676 5.455 84 HD23 LEU 10 HD23 LEU 10 16.490 22.182 5.765 85 H SER 11 H SER 11 15.935 22.880 11.037 86 HA SER 11 HA SER 11 15.233 25.606 11.511 87 HB2 SER 11 HB2 SER 11 16.228 23.441 13.399 88 HB3 SER 11 HB3 SER 11 15.600 25.014 13.925 89 HG SER 11 HG SER 11 14.048 23.258 13.845 90 H CYS 12 H CYS 12 18.450 24.041 11.678 91 HA CYS 12 HA CYS 12 19.709 26.477 12.715 92 HB2 CYS 12 HB2 CYS 12 20.921 23.934 11.582 93 HB3 CYS 12 HB3 CYS 12 21.802 25.219 12.399 94 H ARG 13 H ARG 13 19.706 24.812 9.518 95 HA ARG 13 HA ARG 13 21.401 26.662 8.159 96 HB2 ARG 13 HB2 ARG 13 19.304 24.750 7.099 97 HB3 ARG 13 HB3 ARG 13 20.411 25.700 6.103 98 HG2 ARG 13 HG2 ARG 13 22.365 24.645 7.257 99 HG3 ARG 13 HG3 ARG 13 21.266 23.615 8.157 100 HD2 ARG 13 HD2 ARG 13 20.355 22.815 5.916 101 HD3 ARG 13 HD3 ARG 13 21.672 23.700 5.143 102 HE ARG 13 HE ARG 13 21.836 21.225 6.731 103 HH11 ARG 13 HH11 ARG 13 23.908 23.696 5.222 104 HH12 ARG 13 HH12 ARG 13 25.252 22.567 5.267 105 HH21 ARG 13 HH21 ARG 13 23.554 19.958 6.585 106 HH22 ARG 13 HH22 ARG 13 25.089 20.597 6.005 107 H SER 14 H SER 14 18.028 26.919 9.062 108 HA SER 14 HA SER 14 17.217 29.005 7.298 109 HB2 SER 14 HB2 SER 14 15.808 27.625 8.970 110 HB3 SER 14 HB3 SER 14 16.340 28.785 10.194 111 HG SER 14 HG SER 14 14.812 29.158 7.841 112 H LEU 15 H LEU 15 19.416 29.148 10.067 113 HA LEU 15 HA LEU 15 19.592 32.118 9.814 114 HB2 LEU 15 HB2 LEU 15 20.337 30.290 12.118 115 HB3 LEU 15 HB3 LEU 15 20.568 32.040 12.090 116 HG LEU 15 HG LEU 15 17.870 30.625 11.950 117 HD11 LEU 15 HD11 LEU 15 19.243 32.076 14.255 118 HD12 LEU 15 HD12 LEU 15 17.587 31.432 14.264 119 HD13 LEU 15 HD13 LEU 15 18.963 30.324 14.133 120 HD21 LEU 15 HD21 LEU 15 16.938 32.875 12.447 121 HD22 LEU 15 HD22 LEU 15 18.564 33.578 12.313 122 HD23 LEU 15 HD23 LEU 15 17.776 32.853 10.895 123 H GLY 16 H GLY 16 20.861 29.774 8.233 124 HA2 GLY 16 HA2 GLY 16 22.846 29.398 7.146 125 HA3 GLY 16 HA3 GLY 16 23.466 30.913 7.811 126 H LEU 17 H LEU 17 22.367 28.445 10.051 127 HA LEU 17 HA LEU 17 25.138 27.966 11.010 128 HB2 LEU 17 HB2 LEU 17 22.541 27.038 12.219 129 HB3 LEU 17 HB3 LEU 17 24.079 27.091 13.026 130 HG LEU 17 HG LEU 17 22.453 29.454 12.120 131 HD11 LEU 17 HD11 LEU 17 22.823 28.561 14.978 132 HD12 LEU 17 HD12 LEU 17 21.859 29.913 14.384 133 HD13 LEU 17 HD13 LEU 17 21.356 28.267 13.991 134 HD21 LEU 17 HD21 LEU 17 24.012 30.756 13.574 135 HD22 LEU 17 HD22 LEU 17 24.904 29.242 13.906 136 HD23 LEU 17 HD23 LEU 17 24.871 29.939 12.259 137 H LEU 18 H LEU 18 25.681 25.803 11.683 138 HA LEU 18 HA LEU 18 24.630 23.620 9.911 139 HB2 LEU 18 HB2 LEU 18 27.123 23.800 11.634 140 HB3 LEU 18 HB3 LEU 18 26.602 22.324 10.814 141 HG LEU 18 HG LEU 18 27.162 24.914 9.344 142 HD11 LEU 18 HD11 LEU 18 29.197 24.164 10.520 143 HD12 LEU 18 HD12 LEU 18 29.015 22.542 9.803 144 HD13 LEU 18 HD13 LEU 18 29.350 23.947 8.771 145 HD21 LEU 18 HD21 LEU 18 27.003 22.041 8.360 146 HD22 LEU 18 HD22 LEU 18 25.799 23.314 8.059 147 HD23 LEU 18 HD23 LEU 18 27.425 23.458 7.375 148 H GLY 19 H GLY 19 23.727 21.839 10.784 149 HA2 GLY 19 HA2 GLY 19 22.816 22.004 13.655 150 HA3 GLY 19 HA3 GLY 19 21.889 21.252 12.360 151 H LYS 20 H LYS 20 23.390 20.380 15.024 152 HA LYS 20 HA LYS 20 24.081 17.704 14.053 153 HB2 LYS 20 HB2 LYS 20 26.343 17.658 14.940 154 HB3 LYS 20 HB3 LYS 20 26.166 18.794 13.613 155 HG2 LYS 20 HG2 LYS 20 26.035 19.892 16.395 156 HG3 LYS 20 HG3 LYS 20 27.592 19.335 15.791 157 HD2 LYS 20 HD2 LYS 20 25.811 21.334 14.389 158 HD3 LYS 20 HD3 LYS 20 27.192 21.761 15.403 159 HE2 LYS 20 HE2 LYS 20 27.210 20.360 12.694 160 HE3 LYS 20 HE3 LYS 20 27.750 21.996 13.054 161 HZ1 LYS 20 HZ1 LYS 20 29.496 20.943 14.492 162 HZ2 LYS 20 HZ2 LYS 20 29.045 19.473 13.886 163 HZ3 LYS 20 HZ3 LYS 20 29.651 20.605 12.882 164 H CYS 21 H CYS 21 24.436 16.145 15.664 165 HA CYS 21 HA CYS 21 22.606 16.609 17.938 166 HB2 CYS 21 HB2 CYS 21 22.200 14.752 16.418 167 HB3 CYS 21 HB3 CYS 21 23.821 14.139 16.683 168 H ILE 22 H ILE 22 23.202 16.781 20.034 169 HA ILE 22 HA ILE 22 25.986 16.436 20.919 170 HB ILE 22 HB ILE 22 23.399 16.953 22.421 171 HG12 ILE 22 HG12 ILE 22 25.709 18.886 21.980 172 HG13 ILE 22 HG13 ILE 22 24.364 18.777 20.846 173 HG21 ILE 22 HG21 ILE 22 26.275 16.912 23.441 174 HG22 ILE 22 HG22 ILE 22 24.898 17.541 24.366 175 HG23 ILE 22 HG23 ILE 22 24.964 15.837 23.951 176 HD11 ILE 22 HD11 ILE 22 24.008 20.605 22.433 177 HD12 ILE 22 HD12 ILE 22 22.748 19.371 22.579 178 HD13 ILE 22 HD13 ILE 22 24.044 19.485 23.792 179 H GLY 23 H GLY 23 23.012 14.540 21.035 180 HA2 GLY 23 HA2 GLY 23 24.051 11.984 21.020 181 HA3 GLY 23 HA3 GLY 23 23.997 12.403 22.744 182 H GLU 24 H GLU 24 21.726 13.968 22.807 183 HA GLU 24 HA GLU 24 19.461 12.732 21.391 184 HB2 GLU 24 HB2 GLU 24 18.118 12.392 23.343 185 HB3 GLU 24 HB3 GLU 24 19.498 11.296 23.271 186 HG2 GLU 24 HG2 GLU 24 19.462 13.858 24.945 187 HG3 GLU 24 HG3 GLU 24 18.858 12.308 25.484 188 H GLU 25 H GLU 25 21.021 15.483 22.161 189 HA GLU 25 HA GLU 25 18.576 17.128 21.807 190 HB2 GLU 25 HB2 GLU 25 19.576 17.381 24.062 191 HB3 GLU 25 HB3 GLU 25 21.114 17.791 23.318 192 HG2 GLU 25 HG2 GLU 25 20.243 19.847 23.938 193 HG3 GLU 25 HG3 GLU 25 19.906 19.785 22.218 194 H CYS 26 H CYS 26 18.546 18.405 20.017 195 HA CYS 26 HA CYS 26 20.769 18.491 18.122 196 HB2 CYS 26 HB2 CYS 26 18.533 18.431 17.254 197 HB3 CYS 26 HB3 CYS 26 18.027 19.753 18.290 198 H LYS 27 H LYS 27 22.183 20.094 17.695 199 HA LYS 27 HA LYS 27 22.067 22.715 19.136 200 HB2 LYS 27 HB2 LYS 27 23.688 21.458 20.316 201 HB3 LYS 27 HB3 LYS 27 24.351 20.733 18.851 202 HG2 LYS 27 HG2 LYS 27 25.357 22.821 18.162 203 HG3 LYS 27 HG3 LYS 27 24.592 23.690 19.495 204 HD2 LYS 27 HD2 LYS 27 26.523 21.388 19.948 205 HD3 LYS 27 HD3 LYS 27 27.100 23.033 19.695 206 HE2 LYS 27 HE2 LYS 27 25.052 22.392 21.850 207 HE3 LYS 27 HE3 LYS 27 26.791 22.200 22.128 208 HZ1 LYS 27 HZ1 LYS 27 25.518 24.756 21.306 209 HZ2 LYS 27 HZ2 LYS 27 25.957 24.355 22.841 210 HZ3 LYS 27 HZ3 LYS 27 27.100 24.537 21.665 211 H CYS 28 H CYS 28 22.597 24.483 17.979 212 HA CYS 28 HA CYS 28 23.352 24.144 15.112 213 HB2 CYS 28 HB2 CYS 28 22.216 26.596 16.452 214 HB3 CYS 28 HB3 CYS 28 22.592 26.399 14.751 215 H VAL 29 H VAL 29 25.061 25.508 14.241 216 HA VAL 29 HA VAL 29 26.651 27.137 16.110 217 HB VAL 29 HB VAL 29 28.789 26.145 15.494 218 HG11 VAL 29 HG11 VAL 29 27.689 25.474 17.614 219 HG12 VAL 29 HG12 VAL 29 27.025 24.044 16.788 220 HG13 VAL 29 HG13 VAL 29 28.779 24.243 16.960 221 HG21 VAL 29 HG21 VAL 29 28.338 25.016 13.402 222 HG22 VAL 29 HG22 VAL 29 28.888 23.822 14.575 223 HG23 VAL 29 HG23 VAL 29 27.158 23.940 14.184 224 HA PRO 30 HA PRO 30 27.045 29.386 12.257 225 HB2 PRO 30 HB2 PRO 30 28.493 31.532 13.041 226 HB3 PRO 30 HB3 PRO 30 26.891 31.192 13.761 227 HG2 PRO 30 HG2 PRO 30 29.623 30.505 14.892 228 HG3 PRO 30 HG3 PRO 30 28.253 31.306 15.723 229 HD2 PRO 30 HD2 PRO 30 28.766 28.591 15.879 230 HD3 PRO 30 HD3 PRO 30 27.125 29.277 16.007 231 H HIS 31 H HIS 31 29.761 27.984 13.723 232 HA HIS 31 HA HIS 31 31.930 29.094 12.323 233 HB2 HIS 31 HB2 HIS 31 31.791 26.368 13.640 234 HB3 HIS 31 HB3 HIS 31 33.261 27.281 13.290 235 HD2 HIS 31 HD2 HIS 31 31.396 26.423 16.180 236 HE1 HIS 31 HE1 HIS 31 32.343 30.502 16.978 237 HE2 HIS 31 HE2 HIS 31 31.578 28.313 18.024 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 14.405 10.081 25.274 2 H2 ALA 1 H2 ALA 1 14.462 11.228 26.424 3 H3 ALA 1 H3 ALA 1 15.848 10.469 25.989 4 HA ALA 1 HA ALA 1 14.216 12.250 24.300 5 HB1 ALA 1 HB1 ALA 1 15.434 13.468 26.081 6 HB2 ALA 1 HB2 ALA 1 16.959 12.718 25.558 7 HB3 ALA 1 HB3 ALA 1 16.101 13.840 24.479 8 H PHE 2 H PHE 2 15.106 12.713 22.171 9 HA PHE 2 HA PHE 2 17.379 11.097 21.212 10 HB2 PHE 2 HB2 PHE 2 14.579 10.954 20.028 11 HB3 PHE 2 HB3 PHE 2 16.030 10.413 19.199 12 HD1 PHE 2 HD1 PHE 2 13.485 9.487 21.629 13 HD2 PHE 2 HD2 PHE 2 17.410 8.529 20.126 14 HE1 PHE 2 HE1 PHE 2 13.320 7.212 22.602 15 HE2 PHE 2 HE2 PHE 2 17.225 6.256 21.088 16 HZ PHE 2 HZ PHE 2 15.172 5.584 22.331 17 H CYS 3 H CYS 3 18.448 11.963 19.463 18 HA CYS 3 HA CYS 3 18.164 14.786 18.928 19 HB2 CYS 3 HB2 CYS 3 19.834 12.520 17.829 20 HB3 CYS 3 HB3 CYS 3 19.863 14.089 17.046 21 H ASN 4 H ASN 4 17.627 15.896 17.020 22 HA ASN 4 HA ASN 4 16.203 14.427 14.848 23 HB2 ASN 4 HB2 ASN 4 16.444 17.349 15.699 24 HB3 ASN 4 HB3 ASN 4 15.904 16.903 14.088 25 HD21 ASN 4 HD21 ASN 4 12.766 15.669 15.115 26 HD22 ASN 4 HD22 ASN 4 13.982 15.636 13.842 27 H LEU 5 H LEU 5 16.932 15.463 12.623 28 HA LEU 5 HA LEU 5 19.668 16.463 12.641 29 HB2 LEU 5 HB2 LEU 5 19.443 13.751 12.154 30 HB3 LEU 5 HB3 LEU 5 19.397 14.403 10.520 31 HG LEU 5 HG LEU 5 21.497 15.013 12.652 32 HD11 LEU 5 HD11 LEU 5 23.009 13.630 11.299 33 HD12 LEU 5 HD12 LEU 5 21.608 12.688 11.830 34 HD13 LEU 5 HD13 LEU 5 21.694 13.283 10.155 35 HD21 LEU 5 HD21 LEU 5 21.323 16.893 11.069 36 HD22 LEU 5 HD22 LEU 5 22.821 16.005 10.813 37 HD23 LEU 5 HD23 LEU 5 21.460 15.765 9.699 38 H ARG 6 H ARG 6 17.312 15.272 10.174 39 HA ARG 6 HA ARG 6 17.670 17.526 8.487 40 HB2 ARG 6 HB2 ARG 6 16.618 15.321 7.877 41 HB3 ARG 6 HB3 ARG 6 15.165 15.801 8.742 42 HG2 ARG 6 HG2 ARG 6 14.972 16.095 6.293 43 HG3 ARG 6 HG3 ARG 6 14.742 17.608 7.162 44 HD2 ARG 6 HD2 ARG 6 16.093 17.866 5.081 45 HD3 ARG 6 HD3 ARG 6 16.928 18.405 6.523 46 HE ARG 6 HE ARG 6 18.367 16.524 6.476 47 HH11 ARG 6 HH11 ARG 6 16.362 16.488 3.559 48 HH12 ARG 6 HH12 ARG 6 17.518 15.449 2.737 49 HH21 ARG 6 HH21 ARG 6 19.768 15.336 5.302 50 HH22 ARG 6 HH22 ARG 6 19.464 14.990 3.635 51 H ARG 7 H ARG 7 15.149 17.080 10.997 52 HA ARG 7 HA ARG 7 13.855 19.643 10.611 53 HB2 ARG 7 HB2 ARG 7 12.996 17.576 11.872 54 HB3 ARG 7 HB3 ARG 7 14.051 18.062 13.198 55 HG2 ARG 7 HG2 ARG 7 12.825 20.288 13.241 56 HG3 ARG 7 HG3 ARG 7 11.683 19.620 12.071 57 HD2 ARG 7 HD2 ARG 7 12.305 18.446 14.815 58 HD3 ARG 7 HD3 ARG 7 10.948 19.528 14.483 59 HE ARG 7 HE ARG 7 10.478 17.520 12.688 60 HH11 ARG 7 HH11 ARG 7 11.128 17.327 16.144 61 HH12 ARG 7 HH12 ARG 7 10.324 15.792 16.295 62 HH21 ARG 7 HH21 ARG 7 9.054 15.842 13.087 63 HH22 ARG 7 HH22 ARG 7 9.211 14.959 14.583 64 H CYS 8 H CYS 8 16.621 18.652 12.476 65 HA CYS 8 HA CYS 8 16.983 21.090 14.004 66 HB2 CYS 8 HB2 CYS 8 17.790 18.849 14.770 67 HB3 CYS 8 HB3 CYS 8 18.859 18.783 13.366 68 H GLU 9 H GLU 9 18.684 19.728 11.120 69 HA GLU 9 HA GLU 9 20.391 21.907 10.527 70 HB2 GLU 9 HB2 GLU 9 19.063 19.781 8.808 71 HB3 GLU 9 HB3 GLU 9 20.268 20.891 8.173 72 HG2 GLU 9 HG2 GLU 9 21.023 19.345 10.654 73 HG3 GLU 9 HG3 GLU 9 20.858 18.446 9.149 74 H LEU 10 H LEU 10 17.005 21.331 9.510 75 HA LEU 10 HA LEU 10 16.753 23.670 7.854 76 HB2 LEU 10 HB2 LEU 10 14.747 21.953 9.370 77 HB3 LEU 10 HB3 LEU 10 14.258 23.250 8.283 78 HG LEU 10 HG LEU 10 16.001 20.928 7.439 79 HD11 LEU 10 HD11 LEU 10 13.838 20.047 8.161 80 HD12 LEU 10 HD12 LEU 10 12.986 21.252 7.180 81 HD13 LEU 10 HD13 LEU 10 13.948 19.981 6.396 82 HD21 LEU 10 HD21 LEU 10 15.261 21.569 5.150 83 HD22 LEU 10 HD22 LEU 10 14.405 22.968 5.841 84 HD23 LEU 10 HD23 LEU 10 16.179 22.851 5.942 85 H SER 11 H SER 11 16.095 23.159 11.305 86 HA SER 11 HA SER 11 15.198 25.848 11.899 87 HB2 SER 11 HB2 SER 11 14.929 24.164 13.621 88 HB3 SER 11 HB3 SER 11 16.661 23.834 13.640 89 HG SER 11 HG SER 11 15.265 26.008 14.745 90 H CYS 12 H CYS 12 18.472 24.380 11.940 91 HA CYS 12 HA CYS 12 19.839 26.793 12.545 92 HB2 CYS 12 HB2 CYS 12 20.771 24.224 11.234 93 HB3 CYS 12 HB3 CYS 12 21.829 25.451 11.889 94 H ARG 13 H ARG 13 18.935 25.471 9.364 95 HA ARG 13 HA ARG 13 20.438 27.184 7.682 96 HB2 ARG 13 HB2 ARG 13 18.952 25.188 7.060 97 HB3 ARG 13 HB3 ARG 13 17.573 26.283 7.183 98 HG2 ARG 13 HG2 ARG 13 18.544 27.702 5.370 99 HG3 ARG 13 HG3 ARG 13 19.958 26.645 5.326 100 HD2 ARG 13 HD2 ARG 13 18.552 26.010 3.503 101 HD3 ARG 13 HD3 ARG 13 18.472 24.719 4.712 102 HE ARG 13 HE ARG 13 16.358 26.662 5.090 103 HH11 ARG 13 HH11 ARG 13 17.091 23.984 2.893 104 HH12 ARG 13 HH12 ARG 13 15.374 23.725 2.614 105 HH21 ARG 13 HH21 ARG 13 14.273 26.169 4.686 106 HH22 ARG 13 HH22 ARG 13 13.873 24.875 3.570 107 H SER 14 H SER 14 17.459 27.892 9.488 108 HA SER 14 HA SER 14 17.018 30.481 8.346 109 HB2 SER 14 HB2 SER 14 16.132 29.411 11.030 110 HB3 SER 14 HB3 SER 14 15.464 30.826 10.194 111 HG SER 14 HG SER 14 14.789 29.500 8.517 112 H LEU 15 H LEU 15 19.678 29.609 10.339 113 HA LEU 15 HA LEU 15 20.137 32.511 10.835 114 HB2 LEU 15 HB2 LEU 15 20.886 30.117 12.549 115 HB3 LEU 15 HB3 LEU 15 21.498 31.747 12.823 116 HG LEU 15 HG LEU 15 18.546 30.988 12.915 117 HD11 LEU 15 HD11 LEU 15 19.813 29.855 14.692 118 HD12 LEU 15 HD12 LEU 15 20.539 31.401 15.184 119 HD13 LEU 15 HD13 LEU 15 18.792 31.132 15.362 120 HD21 LEU 15 HD21 LEU 15 20.042 33.493 13.825 121 HD22 LEU 15 HD22 LEU 15 18.900 33.392 12.464 122 HD23 LEU 15 HD23 LEU 15 18.317 33.158 14.112 123 H GLY 16 H GLY 16 20.871 30.208 8.736 124 HA2 GLY 16 HA2 GLY 16 22.627 29.814 7.307 125 HA3 GLY 16 HA3 GLY 16 23.500 31.171 8.026 126 H LEU 17 H LEU 17 22.375 28.385 9.915 127 HA LEU 17 HA LEU 17 25.196 27.616 10.492 128 HB2 LEU 17 HB2 LEU 17 22.806 27.093 12.250 129 HB3 LEU 17 HB3 LEU 17 24.497 26.918 12.682 130 HG LEU 17 HG LEU 17 23.077 29.502 12.089 131 HD11 LEU 17 HD11 LEU 17 22.159 28.529 14.147 132 HD12 LEU 17 HD12 LEU 17 23.815 28.461 14.831 133 HD13 LEU 17 HD13 LEU 17 23.059 30.014 14.445 134 HD21 LEU 17 HD21 LEU 17 25.720 28.882 13.417 135 HD22 LEU 17 HD22 LEU 17 25.525 29.547 11.763 136 HD23 LEU 17 HD23 LEU 17 25.041 30.524 13.161 137 H LEU 18 H LEU 18 25.542 25.424 11.069 138 HA LEU 18 HA LEU 18 23.760 23.407 9.753 139 HB2 LEU 18 HB2 LEU 18 26.719 23.375 10.451 140 HB3 LEU 18 HB3 LEU 18 25.784 21.891 10.311 141 HG LEU 18 HG LEU 18 25.061 22.616 7.995 142 HD11 LEU 18 HD11 LEU 18 26.612 24.177 6.803 143 HD12 LEU 18 HD12 LEU 18 25.594 24.987 7.993 144 HD13 LEU 18 HD13 LEU 18 27.296 24.640 8.380 145 HD21 LEU 18 HD21 LEU 18 27.102 21.846 6.927 146 HD22 LEU 18 HD22 LEU 18 28.032 22.190 8.401 147 HD23 LEU 18 HD23 LEU 18 26.796 20.911 8.395 148 H GLY 19 H GLY 19 23.065 21.651 10.939 149 HA2 GLY 19 HA2 GLY 19 22.846 22.031 13.902 150 HA3 GLY 19 HA3 GLY 19 21.795 21.031 12.901 151 H LYS 20 H LYS 20 23.593 20.515 15.330 152 HA LYS 20 HA LYS 20 24.883 17.999 14.357 153 HB2 LYS 20 HB2 LYS 20 26.100 19.936 16.376 154 HB3 LYS 20 HB3 LYS 20 26.783 18.391 15.873 155 HG2 LYS 20 HG2 LYS 20 26.435 20.831 14.087 156 HG3 LYS 20 HG3 LYS 20 27.928 20.333 14.883 157 HD2 LYS 20 HD2 LYS 20 27.988 18.250 13.580 158 HD3 LYS 20 HD3 LYS 20 26.447 18.661 12.800 159 HE2 LYS 20 HE2 LYS 20 27.558 20.855 12.066 160 HE3 LYS 20 HE3 LYS 20 29.092 20.165 12.600 161 HZ1 LYS 20 HZ1 LYS 20 27.305 19.102 10.484 162 HZ2 LYS 20 HZ2 LYS 20 28.779 19.792 10.285 163 HZ3 LYS 20 HZ3 LYS 20 28.676 18.318 11.020 164 H CYS 21 H CYS 21 24.468 16.265 15.568 165 HA CYS 21 HA CYS 21 22.745 16.471 17.937 166 HB2 CYS 21 HB2 CYS 21 22.404 14.683 16.351 167 HB3 CYS 21 HB3 CYS 21 24.057 14.147 16.545 168 H ILE 22 H ILE 22 23.259 16.362 20.031 169 HA ILE 22 HA ILE 22 26.004 15.531 20.863 170 HB ILE 22 HB ILE 22 24.301 17.584 22.271 171 HG12 ILE 22 HG12 ILE 22 26.694 17.937 20.412 172 HG13 ILE 22 HG13 ILE 22 25.058 18.557 20.171 173 HG21 ILE 22 HG21 ILE 22 26.275 17.925 23.685 174 HG22 ILE 22 HG22 ILE 22 25.873 16.220 23.716 175 HG23 ILE 22 HG23 ILE 22 27.217 16.777 22.706 176 HD11 ILE 22 HD11 ILE 22 26.438 20.385 20.823 177 HD12 ILE 22 HD12 ILE 22 25.366 20.016 22.196 178 HD13 ILE 22 HD13 ILE 22 27.074 19.518 22.221 179 H GLY 23 H GLY 23 25.064 13.465 20.749 180 HA2 GLY 23 HA2 GLY 23 24.607 11.509 21.873 181 HA3 GLY 23 HA3 GLY 23 24.312 12.448 23.336 182 H GLU 24 H GLU 24 22.165 13.903 22.902 183 HA GLU 24 HA GLU 24 19.946 12.197 21.855 184 HB2 GLU 24 HB2 GLU 24 18.806 12.083 23.957 185 HB3 GLU 24 HB3 GLU 24 20.447 11.487 24.197 186 HG2 GLU 24 HG2 GLU 24 21.083 13.770 25.087 187 HG3 GLU 24 HG3 GLU 24 19.386 14.243 24.968 188 H GLU 25 H GLU 25 21.195 15.280 22.018 189 HA GLU 25 HA GLU 25 18.636 16.376 21.074 190 HB2 GLU 25 HB2 GLU 25 18.599 16.978 23.428 191 HB3 GLU 25 HB3 GLU 25 20.251 17.561 23.346 192 HG2 GLU 25 HG2 GLU 25 18.891 19.464 23.450 193 HG3 GLU 25 HG3 GLU 25 19.480 19.401 21.789 194 H CYS 26 H CYS 26 18.874 17.647 19.329 195 HA CYS 26 HA CYS 26 21.630 18.209 18.393 196 HB2 CYS 26 HB2 CYS 26 20.177 16.873 16.982 197 HB3 CYS 26 HB3 CYS 26 18.971 18.142 16.945 198 H LYS 27 H LYS 27 22.417 20.172 17.938 199 HA LYS 27 HA LYS 27 20.755 22.625 18.246 200 HB2 LYS 27 HB2 LYS 27 22.327 23.689 19.699 201 HB3 LYS 27 HB3 LYS 27 21.717 22.219 20.460 202 HG2 LYS 27 HG2 LYS 27 23.824 21.058 20.049 203 HG3 LYS 27 HG3 LYS 27 24.400 22.372 19.020 204 HD2 LYS 27 HD2 LYS 27 25.489 22.592 21.136 205 HD3 LYS 27 HD3 LYS 27 24.351 23.931 20.946 206 HE2 LYS 27 HE2 LYS 27 22.739 22.846 22.428 207 HE3 LYS 27 HE3 LYS 27 23.732 21.386 22.513 208 HZ1 LYS 27 HZ1 LYS 27 25.444 22.682 23.653 209 HZ2 LYS 27 HZ2 LYS 27 24.551 24.055 23.520 210 HZ3 LYS 27 HZ3 LYS 27 24.012 22.826 24.463 211 H CYS 28 H CYS 28 21.832 24.592 17.443 212 HA CYS 28 HA CYS 28 23.306 24.029 14.975 213 HB2 CYS 28 HB2 CYS 28 22.636 26.742 16.123 214 HB3 CYS 28 HB3 CYS 28 23.083 26.354 14.484 215 H VAL 29 H VAL 29 25.240 25.289 14.344 216 HA VAL 29 HA VAL 29 27.089 25.837 16.593 217 HB VAL 29 HB VAL 29 28.842 24.455 15.763 218 HG11 VAL 29 HG11 VAL 29 28.072 22.289 16.436 219 HG12 VAL 29 HG12 VAL 29 27.292 23.513 17.437 220 HG13 VAL 29 HG13 VAL 29 26.378 22.726 16.129 221 HG21 VAL 29 HG21 VAL 29 26.905 23.328 13.703 222 HG22 VAL 29 HG22 VAL 29 28.339 24.321 13.353 223 HG23 VAL 29 HG23 VAL 29 28.539 22.720 14.056 224 HA PRO 30 HA PRO 30 28.165 29.191 14.056 225 HB2 PRO 30 HB2 PRO 30 30.485 30.092 15.177 226 HB3 PRO 30 HB3 PRO 30 28.932 30.070 16.056 227 HG2 PRO 30 HG2 PRO 30 31.131 27.971 16.153 228 HG3 PRO 30 HG3 PRO 30 30.353 28.825 17.528 229 HD2 PRO 30 HD2 PRO 30 29.491 26.386 16.727 230 HD3 PRO 30 HD3 PRO 30 28.326 27.639 17.248 231 H HIS 31 H HIS 31 29.851 26.368 13.678 232 HA HIS 31 HA HIS 31 32.298 27.164 12.504 233 HB2 HIS 31 HB2 HIS 31 30.852 24.513 12.220 234 HB3 HIS 31 HB3 HIS 31 32.548 24.814 11.812 235 HD2 HIS 31 HD2 HIS 31 34.014 25.946 14.011 236 HE1 HIS 31 HE1 HIS 31 31.466 24.343 17.008 237 HE2 HIS 31 HE2 HIS 31 33.655 25.554 16.596 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 15.559 13.137 24.236 2 H2 ALA 1 H2 ALA 1 16.031 14.136 25.453 3 H3 ALA 1 H3 ALA 1 16.978 13.954 24.120 4 HA ALA 1 HA ALA 1 14.328 15.216 24.187 5 HB1 ALA 1 HB1 ALA 1 15.750 17.278 23.602 6 HB2 ALA 1 HB2 ALA 1 15.918 16.659 25.245 7 HB3 ALA 1 HB3 ALA 1 17.163 16.325 24.034 8 H PHE 2 H PHE 2 14.515 16.808 21.937 9 HA PHE 2 HA PHE 2 14.297 14.887 19.769 10 HB2 PHE 2 HB2 PHE 2 14.245 17.904 19.740 11 HB3 PHE 2 HB3 PHE 2 13.756 16.860 18.418 12 HD1 PHE 2 HD1 PHE 2 12.142 14.781 20.069 13 HD2 PHE 2 HD2 PHE 2 12.207 19.091 20.063 14 HE1 PHE 2 HE1 PHE 2 9.807 14.815 20.877 15 HE2 PHE 2 HE2 PHE 2 9.861 19.126 20.867 16 HZ PHE 2 HZ PHE 2 8.662 16.987 21.283 17 H CYS 3 H CYS 3 16.282 13.920 19.648 18 HA CYS 3 HA CYS 3 18.662 15.309 18.649 19 HB2 CYS 3 HB2 CYS 3 18.687 13.392 20.218 20 HB3 CYS 3 HB3 CYS 3 17.938 12.396 18.998 21 H ASN 4 H ASN 4 16.865 16.166 16.869 22 HA ASN 4 HA ASN 4 16.742 14.420 14.503 23 HB2 ASN 4 HB2 ASN 4 15.949 17.303 15.096 24 HB3 ASN 4 HB3 ASN 4 16.021 16.694 13.449 25 HD21 ASN 4 HD21 ASN 4 14.650 14.904 12.828 26 HD22 ASN 4 HD22 ASN 4 13.138 14.670 13.710 27 H LEU 5 H LEU 5 17.756 15.140 12.471 28 HA LEU 5 HA LEU 5 20.218 16.750 12.777 29 HB2 LEU 5 HB2 LEU 5 20.699 14.254 13.007 30 HB3 LEU 5 HB3 LEU 5 20.211 14.071 11.334 31 HG LEU 5 HG LEU 5 22.597 14.112 11.527 32 HD11 LEU 5 HD11 LEU 5 23.253 15.780 9.950 33 HD12 LEU 5 HD12 LEU 5 21.630 15.238 9.515 34 HD13 LEU 5 HD13 LEU 5 21.865 16.805 10.330 35 HD21 LEU 5 HD21 LEU 5 23.876 15.975 12.388 36 HD22 LEU 5 HD22 LEU 5 22.387 16.872 12.752 37 HD23 LEU 5 HD23 LEU 5 22.755 15.378 13.628 38 H ARG 6 H ARG 6 18.665 14.870 10.147 39 HA ARG 6 HA ARG 6 19.101 16.735 8.096 40 HB2 ARG 6 HB2 ARG 6 18.315 14.263 8.017 41 HB3 ARG 6 HB3 ARG 6 16.685 14.898 8.255 42 HG2 ARG 6 HG2 ARG 6 17.226 16.419 6.192 43 HG3 ARG 6 HG3 ARG 6 18.624 15.368 5.950 44 HD2 ARG 6 HD2 ARG 6 16.830 14.576 4.533 45 HD3 ARG 6 HD3 ARG 6 17.023 13.405 5.839 46 HE ARG 6 HE ARG 6 14.903 13.988 6.660 47 HH11 ARG 6 HH11 ARG 6 15.738 16.531 4.299 48 HH12 ARG 6 HH12 ARG 6 14.160 17.259 4.537 49 HH21 ARG 6 HH21 ARG 6 13.035 14.950 6.765 50 HH22 ARG 6 HH22 ARG 6 12.720 16.441 5.847 51 H ARG 7 H ARG 7 16.316 16.558 10.307 52 HA ARG 7 HA ARG 7 15.011 18.941 9.119 53 HB2 ARG 7 HB2 ARG 7 14.302 17.203 11.521 54 HB3 ARG 7 HB3 ARG 7 13.352 18.563 10.913 55 HG2 ARG 7 HG2 ARG 7 13.161 17.388 8.681 56 HG3 ARG 7 HG3 ARG 7 14.004 15.998 9.381 57 HD2 ARG 7 HD2 ARG 7 11.607 15.596 9.432 58 HD3 ARG 7 HD3 ARG 7 12.219 15.778 11.090 59 HE ARG 7 HE ARG 7 11.390 18.336 10.149 60 HH11 ARG 7 HH11 ARG 7 9.725 15.319 10.969 61 HH12 ARG 7 HH12 ARG 7 8.298 16.249 11.453 62 HH21 ARG 7 HH21 ARG 7 9.692 19.306 11.064 63 HH22 ARG 7 HH22 ARG 7 8.264 18.338 11.439 64 H CYS 8 H CYS 8 17.020 18.210 11.921 65 HA CYS 8 HA CYS 8 16.575 20.660 13.346 66 HB2 CYS 8 HB2 CYS 8 17.630 18.726 14.409 67 HB3 CYS 8 HB3 CYS 8 18.972 18.794 13.255 68 H GLU 9 H GLU 9 18.881 19.831 10.720 69 HA GLU 9 HA GLU 9 20.287 22.251 10.440 70 HB2 GLU 9 HB2 GLU 9 19.154 20.342 8.369 71 HB3 GLU 9 HB3 GLU 9 20.237 21.678 7.956 72 HG2 GLU 9 HG2 GLU 9 22.042 20.757 9.245 73 HG3 GLU 9 HG3 GLU 9 21.024 19.496 9.922 74 H LEU 10 H LEU 10 16.892 21.645 9.584 75 HA LEU 10 HA LEU 10 16.623 24.062 7.975 76 HB2 LEU 10 HB2 LEU 10 14.392 22.344 9.095 77 HB3 LEU 10 HB3 LEU 10 14.348 23.407 7.699 78 HG LEU 10 HG LEU 10 15.885 20.778 7.923 79 HD11 LEU 10 HD11 LEU 10 13.462 21.545 6.251 80 HD12 LEU 10 HD12 LEU 10 14.300 19.980 6.233 81 HD13 LEU 10 HD13 LEU 10 13.453 20.506 7.693 82 HD21 LEU 10 HD21 LEU 10 17.107 22.347 6.434 83 HD22 LEU 10 HD22 LEU 10 16.370 21.023 5.533 84 HD23 LEU 10 HD23 LEU 10 15.607 22.623 5.516 85 H SER 11 H SER 11 16.164 23.271 11.384 86 HA SER 11 HA SER 11 14.872 25.837 12.068 87 HB2 SER 11 HB2 SER 11 16.259 23.696 13.732 88 HB3 SER 11 HB3 SER 11 15.547 25.168 14.409 89 HG SER 11 HG SER 11 13.623 24.428 14.136 90 H CYS 12 H CYS 12 18.165 24.438 12.150 91 HA CYS 12 HA CYS 12 19.496 26.773 13.151 92 HB2 CYS 12 HB2 CYS 12 20.469 24.374 11.559 93 HB3 CYS 12 HB3 CYS 12 21.518 25.532 12.349 94 H ARG 13 H ARG 13 18.501 25.894 9.898 95 HA ARG 13 HA ARG 13 19.991 27.567 8.248 96 HB2 ARG 13 HB2 ARG 13 18.225 25.865 7.639 97 HB3 ARG 13 HB3 ARG 13 16.990 27.053 8.062 98 HG2 ARG 13 HG2 ARG 13 17.664 28.496 6.225 99 HG3 ARG 13 HG3 ARG 13 19.136 27.561 5.973 100 HD2 ARG 13 HD2 ARG 13 17.585 26.969 4.246 101 HD3 ARG 13 HD3 ARG 13 17.814 25.591 5.326 102 HE ARG 13 HE ARG 13 15.488 27.174 6.066 103 HH11 ARG 13 HH11 ARG 13 16.544 24.665 3.830 104 HH12 ARG 13 HH12 ARG 13 14.923 24.230 3.385 105 HH21 ARG 13 HH21 ARG 13 13.390 26.377 5.592 106 HH22 ARG 13 HH22 ARG 13 13.219 25.134 4.368 107 H SER 14 H SER 14 17.573 28.614 10.571 108 HA SER 14 HA SER 14 16.852 31.134 9.595 109 HB2 SER 14 HB2 SER 14 15.937 30.049 11.640 110 HB3 SER 14 HB3 SER 14 17.444 30.454 12.489 111 HG SER 14 HG SER 14 15.376 32.105 11.542 112 H LEU 15 H LEU 15 19.914 30.255 11.185 113 HA LEU 15 HA LEU 15 20.972 33.026 10.772 114 HB2 LEU 15 HB2 LEU 15 21.630 31.038 12.969 115 HB3 LEU 15 HB3 LEU 15 22.375 32.625 12.773 116 HG LEU 15 HG LEU 15 19.414 32.164 13.318 117 HD11 LEU 15 HD11 LEU 15 19.913 32.923 15.604 118 HD12 LEU 15 HD12 LEU 15 20.801 31.441 15.218 119 HD13 LEU 15 HD13 LEU 15 21.648 33.006 15.209 120 HD21 LEU 15 HD21 LEU 15 21.112 34.700 13.386 121 HD22 LEU 15 HD22 LEU 15 19.826 34.324 12.216 122 HD23 LEU 15 HD23 LEU 15 19.419 34.572 13.921 123 H GLY 16 H GLY 16 20.984 30.637 8.973 124 HA2 GLY 16 HA2 GLY 16 22.427 29.669 7.455 125 HA3 GLY 16 HA3 GLY 16 23.638 30.870 7.938 126 H LEU 17 H LEU 17 22.317 28.606 10.279 127 HA LEU 17 HA LEU 17 24.985 27.352 10.631 128 HB2 LEU 17 HB2 LEU 17 22.531 27.164 12.365 129 HB3 LEU 17 HB3 LEU 17 24.138 26.634 12.813 130 HG LEU 17 HG LEU 17 23.241 29.461 12.303 131 HD11 LEU 17 HD11 LEU 17 22.091 28.517 14.278 132 HD12 LEU 17 HD12 LEU 17 23.689 28.232 15.026 133 HD13 LEU 17 HD13 LEU 17 23.159 29.873 14.656 134 HD21 LEU 17 HD21 LEU 17 25.709 29.083 12.087 135 HD22 LEU 17 HD22 LEU 17 25.308 30.130 13.460 136 HD23 LEU 17 HD23 LEU 17 25.694 28.414 13.748 137 H LEU 18 H LEU 18 24.951 25.074 11.223 138 HA LEU 18 HA LEU 18 22.907 23.404 9.801 139 HB2 LEU 18 HB2 LEU 18 25.862 22.843 10.235 140 HB3 LEU 18 HB3 LEU 18 24.697 21.581 9.844 141 HG LEU 18 HG LEU 18 25.254 23.989 8.075 142 HD11 LEU 18 HD11 LEU 18 26.110 21.079 7.771 143 HD12 LEU 18 HD12 LEU 18 26.456 22.406 6.641 144 HD13 LEU 18 HD13 LEU 18 27.184 22.402 8.257 145 HD21 LEU 18 HD21 LEU 18 22.998 23.117 7.658 146 HD22 LEU 18 HD22 LEU 18 24.074 22.680 6.334 147 HD23 LEU 18 HD23 LEU 18 23.649 21.461 7.544 148 H GLY 19 H GLY 19 22.492 21.352 10.931 149 HA2 GLY 19 HA2 GLY 19 22.382 21.775 13.897 150 HA3 GLY 19 HA3 GLY 19 21.235 20.825 12.958 151 H LYS 20 H LYS 20 23.285 20.276 15.226 152 HA LYS 20 HA LYS 20 24.140 17.592 14.239 153 HB2 LYS 20 HB2 LYS 20 25.876 19.388 15.976 154 HB3 LYS 20 HB3 LYS 20 26.275 17.772 15.402 155 HG2 LYS 20 HG2 LYS 20 25.975 20.236 13.639 156 HG3 LYS 20 HG3 LYS 20 27.493 19.593 14.251 157 HD2 LYS 20 HD2 LYS 20 27.174 17.506 12.979 158 HD3 LYS 20 HD3 LYS 20 25.612 18.086 12.384 159 HE2 LYS 20 HE2 LYS 20 26.879 20.148 11.496 160 HE3 LYS 20 HE3 LYS 20 28.371 19.267 11.857 161 HZ1 LYS 20 HZ1 LYS 20 26.243 18.447 9.953 162 HZ2 LYS 20 HZ2 LYS 20 27.774 18.918 9.581 163 HZ3 LYS 20 HZ3 LYS 20 27.515 17.490 10.354 164 H CYS 21 H CYS 21 23.745 15.958 15.780 165 HA CYS 21 HA CYS 21 22.387 16.811 18.271 166 HB2 CYS 21 HB2 CYS 21 21.302 15.085 16.974 167 HB3 CYS 21 HB3 CYS 21 22.741 14.071 17.074 168 H ILE 22 H ILE 22 23.201 16.722 20.228 169 HA ILE 22 HA ILE 22 25.889 15.478 20.647 170 HB ILE 22 HB ILE 22 24.876 17.954 22.067 171 HG12 ILE 22 HG12 ILE 22 26.924 17.730 19.808 172 HG13 ILE 22 HG13 ILE 22 25.341 18.501 19.697 173 HG21 ILE 22 HG21 ILE 22 26.414 16.495 23.367 174 HG22 ILE 22 HG22 ILE 22 27.582 16.522 22.027 175 HG23 ILE 22 HG23 ILE 22 27.211 17.996 22.930 176 HD11 ILE 22 HD11 ILE 22 26.935 20.245 19.915 177 HD12 ILE 22 HD12 ILE 22 26.068 20.151 21.462 178 HD13 ILE 22 HD13 ILE 22 27.715 19.487 21.308 179 H GLY 23 H GLY 23 25.318 13.633 21.413 180 HA2 GLY 23 HA2 GLY 23 24.867 12.040 22.992 181 HA3 GLY 23 HA3 GLY 23 24.240 13.282 24.092 182 H GLU 24 H GLU 24 22.191 14.313 23.214 183 HA GLU 24 HA GLU 24 20.189 12.513 21.981 184 HB2 GLU 24 HB2 GLU 24 18.893 12.202 24.045 185 HB3 GLU 24 HB3 GLU 24 20.496 11.484 24.180 186 HG2 GLU 24 HG2 GLU 24 21.259 13.507 25.469 187 HG3 GLU 24 HG3 GLU 24 19.632 14.160 25.367 188 H GLU 25 H GLU 25 21.232 15.450 21.948 189 HA GLU 25 HA GLU 25 18.569 16.707 21.615 190 HB2 GLU 25 HB2 GLU 25 19.357 17.040 24.001 191 HB3 GLU 25 HB3 GLU 25 20.754 17.897 23.372 192 HG2 GLU 25 HG2 GLU 25 19.334 19.654 22.451 193 HG3 GLU 25 HG3 GLU 25 17.871 18.737 22.866 194 H CYS 26 H CYS 26 18.585 18.088 19.804 195 HA CYS 26 HA CYS 26 21.150 18.328 18.412 196 HB2 CYS 26 HB2 CYS 26 19.090 17.665 17.215 197 HB3 CYS 26 HB3 CYS 26 18.500 19.322 17.428 198 H LYS 27 H LYS 27 22.392 19.968 18.080 199 HA LYS 27 HA LYS 27 21.737 22.711 19.096 200 HB2 LYS 27 HB2 LYS 27 24.292 21.052 19.306 201 HB3 LYS 27 HB3 LYS 27 24.337 22.813 19.307 202 HG2 LYS 27 HG2 LYS 27 24.413 22.151 21.536 203 HG3 LYS 27 HG3 LYS 27 22.816 22.848 21.259 204 HD2 LYS 27 HD2 LYS 27 21.822 20.573 21.223 205 HD3 LYS 27 HD3 LYS 27 23.422 19.837 21.211 206 HE2 LYS 27 HE2 LYS 27 22.440 19.642 23.392 207 HE3 LYS 27 HE3 LYS 27 23.847 20.714 23.454 208 HZ1 LYS 27 HZ1 LYS 27 22.542 22.418 24.075 209 HZ2 LYS 27 HZ2 LYS 27 21.351 22.099 22.985 210 HZ3 LYS 27 HZ3 LYS 27 21.358 21.305 24.416 211 H CYS 28 H CYS 28 22.746 24.422 17.923 212 HA CYS 28 HA CYS 28 23.155 23.789 15.050 213 HB2 CYS 28 HB2 CYS 28 22.665 26.388 16.493 214 HB3 CYS 28 HB3 CYS 28 22.883 26.218 14.739 215 H VAL 29 H VAL 29 24.897 24.796 13.861 216 HA VAL 29 HA VAL 29 27.255 25.576 15.472 217 HB VAL 29 HB VAL 29 28.735 24.134 14.170 218 HG11 VAL 29 HG11 VAL 29 26.701 22.588 15.832 219 HG12 VAL 29 HG12 VAL 29 28.385 22.133 15.509 220 HG13 VAL 29 HG13 VAL 29 28.033 23.566 16.484 221 HG21 VAL 29 HG21 VAL 29 27.280 23.528 12.258 222 HG22 VAL 29 HG22 VAL 29 27.914 22.106 13.088 223 HG23 VAL 29 HG23 VAL 29 26.231 22.605 13.356 224 HA PRO 30 HA PRO 30 27.987 28.266 11.936 225 HB2 PRO 30 HB2 PRO 30 30.047 29.703 12.917 226 HB3 PRO 30 HB3 PRO 30 28.434 29.721 13.678 227 HG2 PRO 30 HG2 PRO 30 30.878 28.138 14.505 228 HG3 PRO 30 HG3 PRO 30 29.775 29.104 15.527 229 HD2 PRO 30 HD2 PRO 30 29.599 26.333 15.075 230 HD3 PRO 30 HD3 PRO 30 28.258 27.372 15.640 231 H HIS 31 H HIS 31 28.377 26.212 10.930 232 HA HIS 31 HA HIS 31 30.802 24.843 10.535 233 HB2 HIS 31 HB2 HIS 31 29.584 23.600 8.887 234 HB3 HIS 31 HB3 HIS 31 28.508 23.942 10.246 235 HD2 HIS 31 HD2 HIS 31 26.649 25.843 9.884 236 HE1 HIS 31 HE1 HIS 31 28.018 27.240 6.190 237 HE2 HIS 31 HE2 HIS 31 26.218 27.555 7.951 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 14.067 12.066 25.037 2 H2 ALA 1 H2 ALA 1 14.088 13.448 25.919 3 H3 ALA 1 H3 ALA 1 15.514 12.741 25.465 4 HA ALA 1 HA ALA 1 13.498 13.907 23.682 5 HB1 ALA 1 HB1 ALA 1 15.204 15.659 23.227 6 HB2 ALA 1 HB2 ALA 1 14.694 15.626 24.924 7 HB3 ALA 1 HB3 ALA 1 16.260 14.941 24.459 8 H PHE 2 H PHE 2 14.385 14.142 21.353 9 HA PHE 2 HA PHE 2 16.422 12.091 20.676 10 HB2 PHE 2 HB2 PHE 2 14.688 10.721 20.309 11 HB3 PHE 2 HB3 PHE 2 13.521 12.011 20.134 12 HD1 PHE 2 HD1 PHE 2 12.996 13.023 18.054 13 HD2 PHE 2 HD2 PHE 2 16.118 10.058 18.302 14 HE1 PHE 2 HE1 PHE 2 13.186 13.050 15.618 15 HE2 PHE 2 HE2 PHE 2 16.261 10.012 15.831 16 HZ PHE 2 HZ PHE 2 14.808 11.510 14.465 17 H CYS 3 H CYS 3 17.809 12.633 19.218 18 HA CYS 3 HA CYS 3 17.952 15.311 18.150 19 HB2 CYS 3 HB2 CYS 3 19.608 12.790 17.886 20 HB3 CYS 3 HB3 CYS 3 19.998 14.264 17.023 21 H ASN 4 H ASN 4 16.823 15.952 16.345 22 HA ASN 4 HA ASN 4 16.471 14.137 14.050 23 HB2 ASN 4 HB2 ASN 4 15.123 16.417 14.806 24 HB3 ASN 4 HB3 ASN 4 16.279 17.119 13.714 25 HD21 ASN 4 HD21 ASN 4 13.278 14.904 12.202 26 HD22 ASN 4 HD22 ASN 4 13.308 15.504 13.868 27 H LEU 5 H LEU 5 17.384 15.074 11.866 28 HA LEU 5 HA LEU 5 19.963 16.437 12.210 29 HB2 LEU 5 HB2 LEU 5 20.017 13.725 11.730 30 HB3 LEU 5 HB3 LEU 5 20.038 14.357 10.093 31 HG LEU 5 HG LEU 5 22.260 14.062 10.758 32 HD11 LEU 5 HD11 LEU 5 21.825 16.226 9.582 33 HD12 LEU 5 HD12 LEU 5 21.804 17.051 11.157 34 HD13 LEU 5 HD13 LEU 5 23.272 16.261 10.605 35 HD21 LEU 5 HD21 LEU 5 23.312 14.990 12.756 36 HD22 LEU 5 HD22 LEU 5 21.775 15.707 13.274 37 HD23 LEU 5 HD23 LEU 5 21.955 13.944 13.200 38 H ARG 6 H ARG 6 17.829 15.180 9.516 39 HA ARG 6 HA ARG 6 18.335 17.457 7.896 40 HB2 ARG 6 HB2 ARG 6 17.284 15.238 7.180 41 HB3 ARG 6 HB3 ARG 6 15.792 15.790 7.925 42 HG2 ARG 6 HG2 ARG 6 15.490 16.208 5.659 43 HG3 ARG 6 HG3 ARG 6 15.907 17.800 6.284 44 HD2 ARG 6 HD2 ARG 6 17.845 15.851 4.940 45 HD3 ARG 6 HD3 ARG 6 17.023 17.153 4.100 46 HE ARG 6 HE ARG 6 19.300 17.372 5.936 47 HH11 ARG 6 HH11 ARG 6 20.366 19.364 6.065 48 HH12 ARG 6 HH12 ARG 6 19.559 20.781 5.376 49 HH21 ARG 6 HH21 ARG 6 16.759 19.282 4.328 50 HH22 ARG 6 HH22 ARG 6 17.710 20.752 4.584 51 H ARG 7 H ARG 7 15.516 16.912 10.037 52 HA ARG 7 HA ARG 7 14.443 19.593 9.713 53 HB2 ARG 7 HB2 ARG 7 13.338 17.414 10.710 54 HB3 ARG 7 HB3 ARG 7 14.010 18.009 12.233 55 HG2 ARG 7 HG2 ARG 7 12.825 20.141 11.982 56 HG3 ARG 7 HG3 ARG 7 12.125 19.601 10.450 57 HD2 ARG 7 HD2 ARG 7 11.716 18.145 13.104 58 HD3 ARG 7 HD3 ARG 7 10.646 19.425 12.514 59 HE ARG 7 HE ARG 7 10.968 17.387 10.492 60 HH11 ARG 7 HH11 ARG 7 9.199 17.831 13.544 61 HH12 ARG 7 HH12 ARG 7 7.831 16.930 12.879 62 HH21 ARG 7 HH21 ARG 7 9.227 16.223 9.882 63 HH22 ARG 7 HH22 ARG 7 7.875 16.035 10.974 64 H CYS 8 H CYS 8 16.982 18.296 11.740 65 HA CYS 8 HA CYS 8 17.093 20.583 13.529 66 HB2 CYS 8 HB2 CYS 8 18.026 18.464 14.209 67 HB3 CYS 8 HB3 CYS 8 19.226 18.526 12.913 68 H GLU 9 H GLU 9 19.036 19.649 10.605 69 HA GLU 9 HA GLU 9 20.491 22.086 10.315 70 HB2 GLU 9 HB2 GLU 9 19.635 19.936 8.348 71 HB3 GLU 9 HB3 GLU 9 20.662 21.300 7.890 72 HG2 GLU 9 HG2 GLU 9 22.381 20.625 9.482 73 HG3 GLU 9 HG3 GLU 9 21.389 19.299 10.068 74 H LEU 10 H LEU 10 17.246 21.196 9.019 75 HA LEU 10 HA LEU 10 16.769 23.660 7.613 76 HB2 LEU 10 HB2 LEU 10 14.897 21.682 8.981 77 HB3 LEU 10 HB3 LEU 10 14.305 23.047 8.044 78 HG LEU 10 HG LEU 10 16.139 20.924 6.925 79 HD11 LEU 10 HD11 LEU 10 14.114 19.978 5.828 80 HD12 LEU 10 HD12 LEU 10 14.040 19.840 7.585 81 HD13 LEU 10 HD13 LEU 10 13.098 21.103 6.760 82 HD21 LEU 10 HD21 LEU 10 14.303 22.963 5.580 83 HD22 LEU 10 HD22 LEU 10 16.073 23.058 5.648 84 HD23 LEU 10 HD23 LEU 10 15.300 21.759 4.734 85 H SER 11 H SER 11 16.196 22.766 10.984 86 HA SER 11 HA SER 11 14.939 25.278 11.727 87 HB2 SER 11 HB2 SER 11 16.371 23.332 13.572 88 HB3 SER 11 HB3 SER 11 15.214 24.597 14.026 89 HG SER 11 HG SER 11 14.789 22.216 12.546 90 H CYS 12 H CYS 12 18.320 24.107 12.134 91 HA CYS 12 HA CYS 12 19.412 26.496 13.195 92 HB2 CYS 12 HB2 CYS 12 20.605 24.232 11.564 93 HB3 CYS 12 HB3 CYS 12 21.568 25.519 12.264 94 H ARG 13 H ARG 13 18.495 25.832 9.868 95 HA ARG 13 HA ARG 13 19.963 27.801 8.475 96 HB2 ARG 13 HB2 ARG 13 18.259 26.014 7.659 97 HB3 ARG 13 HB3 ARG 13 17.027 27.232 8.017 98 HG2 ARG 13 HG2 ARG 13 18.153 28.798 6.420 99 HG3 ARG 13 HG3 ARG 13 19.375 27.571 6.092 100 HD2 ARG 13 HD2 ARG 13 17.710 27.526 4.332 101 HD3 ARG 13 HD3 ARG 13 17.632 26.026 5.269 102 HE ARG 13 HE ARG 13 15.788 28.229 6.027 103 HH11 ARG 13 HH11 ARG 13 16.072 25.279 4.123 104 HH12 ARG 13 HH12 ARG 13 14.333 25.129 4.002 105 HH21 ARG 13 HH21 ARG 13 13.605 27.886 5.873 106 HH22 ARG 13 HH22 ARG 13 13.016 26.413 5.114 107 H SER 14 H SER 14 17.435 28.269 10.872 108 HA SER 14 HA SER 14 16.625 30.905 10.332 109 HB2 SER 14 HB2 SER 14 17.104 29.698 13.080 110 HB3 SER 14 HB3 SER 14 16.029 31.051 12.670 111 HG SER 14 HG SER 14 15.769 28.307 12.196 112 H LEU 15 H LEU 15 19.825 29.883 11.530 113 HA LEU 15 HA LEU 15 20.655 32.759 11.512 114 HB2 LEU 15 HB2 LEU 15 21.550 30.416 13.221 115 HB3 LEU 15 HB3 LEU 15 22.514 31.888 13.082 116 HG LEU 15 HG LEU 15 19.628 31.884 14.023 117 HD11 LEU 15 HD11 LEU 15 20.598 32.091 16.327 118 HD12 LEU 15 HD12 LEU 15 20.965 30.532 15.573 119 HD13 LEU 15 HD13 LEU 15 22.205 31.800 15.649 120 HD21 LEU 15 HD21 LEU 15 20.322 34.097 15.013 121 HD22 LEU 15 HD22 LEU 15 21.891 33.927 14.215 122 HD23 LEU 15 HD23 LEU 15 20.404 34.086 13.251 123 H GLY 16 H GLY 16 20.552 30.412 9.458 124 HA2 GLY 16 HA2 GLY 16 21.797 29.731 7.632 125 HA3 GLY 16 HA3 GLY 16 22.992 30.978 8.008 126 H LEU 17 H LEU 17 22.124 28.447 10.345 127 HA LEU 17 HA LEU 17 24.933 27.433 10.282 128 HB2 LEU 17 HB2 LEU 17 22.755 27.060 12.351 129 HB3 LEU 17 HB3 LEU 17 24.430 26.582 12.539 130 HG LEU 17 HG LEU 17 23.401 29.396 12.238 131 HD11 LEU 17 HD11 LEU 17 22.603 28.403 14.356 132 HD12 LEU 17 HD12 LEU 17 24.304 28.083 14.810 133 HD13 LEU 17 HD13 LEU 17 23.731 29.739 14.598 134 HD21 LEU 17 HD21 LEU 17 25.793 29.069 11.608 135 HD22 LEU 17 HD22 LEU 17 25.624 30.040 13.080 136 HD23 LEU 17 HD23 LEU 17 26.062 28.307 13.201 137 H LEU 18 H LEU 18 25.133 25.160 10.923 138 HA LEU 18 HA LEU 18 23.031 23.345 9.821 139 HB2 LEU 18 HB2 LEU 18 26.048 22.959 9.825 140 HB3 LEU 18 HB3 LEU 18 24.899 21.645 9.578 141 HG LEU 18 HG LEU 18 25.100 24.100 7.804 142 HD11 LEU 18 HD11 LEU 18 26.006 21.225 7.344 143 HD12 LEU 18 HD12 LEU 18 26.045 22.538 6.144 144 HD13 LEU 18 HD13 LEU 18 27.063 22.638 7.591 145 HD21 LEU 18 HD21 LEU 18 23.501 21.525 7.451 146 HD22 LEU 18 HD22 LEU 18 22.825 23.160 7.705 147 HD23 LEU 18 HD23 LEU 18 23.698 22.790 6.229 148 H GLY 19 H GLY 19 23.353 21.100 11.095 149 HA2 GLY 19 HA2 GLY 19 23.266 21.820 14.000 150 HA3 GLY 19 HA3 GLY 19 21.849 21.149 13.210 151 H LYS 20 H LYS 20 23.850 20.273 15.374 152 HA LYS 20 HA LYS 20 24.266 17.461 14.474 153 HB2 LYS 20 HB2 LYS 20 26.360 19.320 15.660 154 HB3 LYS 20 HB3 LYS 20 26.548 17.570 15.474 155 HG2 LYS 20 HG2 LYS 20 26.233 17.781 13.015 156 HG3 LYS 20 HG3 LYS 20 26.082 19.545 13.182 157 HD2 LYS 20 HD2 LYS 20 28.296 19.715 14.109 158 HD3 LYS 20 HD3 LYS 20 28.501 17.942 13.999 159 HE2 LYS 20 HE2 LYS 20 28.152 18.089 11.531 160 HE3 LYS 20 HE3 LYS 20 28.029 19.850 11.662 161 HZ1 LYS 20 HZ1 LYS 20 30.424 18.267 12.415 162 HZ2 LYS 20 HZ2 LYS 20 30.286 19.137 11.033 163 HZ3 LYS 20 HZ3 LYS 20 30.296 19.898 12.489 164 H CYS 21 H CYS 21 24.291 15.949 16.060 165 HA CYS 21 HA CYS 21 22.574 16.512 18.320 166 HB2 CYS 21 HB2 CYS 21 22.399 14.534 16.851 167 HB3 CYS 21 HB3 CYS 21 23.977 13.987 17.401 168 H ILE 22 H ILE 22 22.889 16.073 20.466 169 HA ILE 22 HA ILE 22 25.518 15.249 21.556 170 HB ILE 22 HB ILE 22 23.869 17.462 22.821 171 HG12 ILE 22 HG12 ILE 22 26.390 17.720 21.150 172 HG13 ILE 22 HG13 ILE 22 24.797 18.421 20.808 173 HG21 ILE 22 HG21 ILE 22 26.694 16.472 23.426 174 HG22 ILE 22 HG22 ILE 22 25.752 17.645 24.371 175 HG23 ILE 22 HG23 ILE 22 25.257 15.963 24.325 176 HD11 ILE 22 HD11 ILE 22 26.054 20.217 21.631 177 HD12 ILE 22 HD12 ILE 22 25.076 19.713 23.029 178 HD13 ILE 22 HD13 ILE 22 26.785 19.247 22.926 179 H GLY 23 H GLY 23 24.445 13.256 21.532 180 HA2 GLY 23 HA2 GLY 23 23.448 11.423 22.449 181 HA3 GLY 23 HA3 GLY 23 23.119 12.374 23.894 182 H GLU 24 H GLU 24 21.378 14.149 23.271 183 HA GLU 24 HA GLU 24 19.009 13.021 21.879 184 HB2 GLU 24 HB2 GLU 24 17.629 13.223 23.805 185 HB3 GLU 24 HB3 GLU 24 18.936 12.101 24.147 186 HG2 GLU 24 HG2 GLU 24 20.040 13.773 25.553 187 HG3 GLU 24 HG3 GLU 24 18.891 15.019 25.051 188 H GLU 25 H GLU 25 20.858 15.753 22.546 189 HA GLU 25 HA GLU 25 18.620 17.643 21.898 190 HB2 GLU 25 HB2 GLU 25 19.747 17.950 24.100 191 HB3 GLU 25 HB3 GLU 25 21.279 18.135 23.258 192 HG2 GLU 25 HG2 GLU 25 20.616 20.313 23.772 193 HG3 GLU 25 HG3 GLU 25 20.280 20.141 22.054 194 H CYS 26 H CYS 26 18.756 18.612 19.846 195 HA CYS 26 HA CYS 26 21.372 18.342 18.430 196 HB2 CYS 26 HB2 CYS 26 19.358 17.347 17.377 197 HB3 CYS 26 HB3 CYS 26 18.723 18.982 17.156 198 H LYS 27 H LYS 27 22.635 19.978 18.041 199 HA LYS 27 HA LYS 27 21.741 22.776 18.629 200 HB2 LYS 27 HB2 LYS 27 23.942 21.093 19.846 201 HB3 LYS 27 HB3 LYS 27 24.150 22.848 19.722 202 HG2 LYS 27 HG2 LYS 27 22.186 23.298 20.981 203 HG3 LYS 27 HG3 LYS 27 21.644 21.623 20.942 204 HD2 LYS 27 HD2 LYS 27 23.285 20.912 22.469 205 HD3 LYS 27 HD3 LYS 27 24.256 22.397 22.274 206 HE2 LYS 27 HE2 LYS 27 22.474 23.734 23.292 207 HE3 LYS 27 HE3 LYS 27 21.436 22.309 23.427 208 HZ1 LYS 27 HZ1 LYS 27 22.956 21.364 25.020 209 HZ2 LYS 27 HZ2 LYS 27 24.062 22.555 24.773 210 HZ3 LYS 27 HZ3 LYS 27 22.650 22.917 25.502 211 H CYS 28 H CYS 28 22.820 24.442 17.688 212 HA CYS 28 HA CYS 28 23.577 23.729 14.970 213 HB2 CYS 28 HB2 CYS 28 23.140 26.446 16.207 214 HB3 CYS 28 HB3 CYS 28 23.286 26.096 14.484 215 H VAL 29 H VAL 29 25.289 24.824 13.759 216 HA VAL 29 HA VAL 29 27.703 25.490 15.350 217 HB VAL 29 HB VAL 29 29.081 24.003 13.942 218 HG11 VAL 29 HG11 VAL 29 27.056 22.543 15.677 219 HG12 VAL 29 HG12 VAL 29 28.673 21.974 15.225 220 HG13 VAL 29 HG13 VAL 29 28.508 23.407 16.243 221 HG21 VAL 29 HG21 VAL 29 28.138 22.060 12.829 222 HG22 VAL 29 HG22 VAL 29 26.488 22.589 13.203 223 HG23 VAL 29 HG23 VAL 29 27.502 23.521 12.076 224 HA PRO 30 HA PRO 30 28.410 28.375 11.991 225 HB2 PRO 30 HB2 PRO 30 30.856 29.314 12.660 226 HB3 PRO 30 HB3 PRO 30 29.442 29.571 13.728 227 HG2 PRO 30 HG2 PRO 30 31.585 27.428 13.949 228 HG3 PRO 30 HG3 PRO 30 30.978 28.520 15.234 229 HD2 PRO 30 HD2 PRO 30 30.050 25.955 14.839 230 HD3 PRO 30 HD3 PRO 30 29.032 27.247 15.513 231 H HIS 31 H HIS 31 29.934 25.420 12.314 232 HA HIS 31 HA HIS 31 32.084 25.558 10.479 233 HB2 HIS 31 HB2 HIS 31 30.529 23.183 11.543 234 HB3 HIS 31 HB3 HIS 31 32.040 23.072 10.635 235 HD2 HIS 31 HD2 HIS 31 34.161 24.580 11.763 236 HE1 HIS 31 HE1 HIS 31 32.656 24.388 15.728 237 HE2 HIS 31 HE2 HIS 31 34.723 24.880 14.318 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 12.347 11.181 24.629 2 H2 ALA 1 H2 ALA 1 13.627 12.167 24.342 3 H3 ALA 1 H3 ALA 1 13.628 10.623 23.762 4 HA ALA 1 HA ALA 1 11.739 11.118 22.359 5 HB1 ALA 1 HB1 ALA 1 12.226 13.994 23.257 6 HB2 ALA 1 HB2 ALA 1 11.094 13.463 21.994 7 HB3 ALA 1 HB3 ALA 1 10.811 13.004 23.669 8 H PHE 2 H PHE 2 12.129 11.490 20.222 9 HA PHE 2 HA PHE 2 14.504 11.051 19.175 10 HB2 PHE 2 HB2 PHE 2 11.993 11.343 18.257 11 HB3 PHE 2 HB3 PHE 2 12.638 12.842 17.620 12 HD1 PHE 2 HD1 PHE 2 12.845 9.171 17.643 13 HD2 PHE 2 HD2 PHE 2 14.302 12.771 15.773 14 HE1 PHE 2 HE1 PHE 2 13.862 7.820 15.865 15 HE2 PHE 2 HE2 PHE 2 15.344 11.411 13.984 16 HZ PHE 2 HZ PHE 2 15.131 8.926 14.012 17 H CYS 3 H CYS 3 16.372 11.998 18.676 18 HA CYS 3 HA CYS 3 16.733 14.945 18.840 19 HB2 CYS 3 HB2 CYS 3 18.325 13.224 19.857 20 HB3 CYS 3 HB3 CYS 3 18.753 12.763 18.210 21 H ASN 4 H ASN 4 16.620 16.177 16.906 22 HA ASN 4 HA ASN 4 16.134 14.617 14.439 23 HB2 ASN 4 HB2 ASN 4 15.612 17.490 15.266 24 HB3 ASN 4 HB3 ASN 4 15.429 16.931 13.601 25 HD21 ASN 4 HD21 ASN 4 12.602 14.858 14.239 26 HD22 ASN 4 HD22 ASN 4 13.905 15.234 13.130 27 H LEU 5 H LEU 5 17.120 15.054 12.464 28 HA LEU 5 HA LEU 5 19.629 16.652 12.522 29 HB2 LEU 5 HB2 LEU 5 19.866 14.024 12.744 30 HB3 LEU 5 HB3 LEU 5 19.557 14.034 11.024 31 HG LEU 5 HG LEU 5 21.899 13.959 11.364 32 HD11 LEU 5 HD11 LEU 5 21.364 16.874 10.693 33 HD12 LEU 5 HD12 LEU 5 22.777 15.907 10.255 34 HD13 LEU 5 HD13 LEU 5 21.200 15.522 9.545 35 HD21 LEU 5 HD21 LEU 5 23.203 15.536 12.666 36 HD22 LEU 5 HD22 LEU 5 21.748 16.454 13.106 37 HD23 LEU 5 HD23 LEU 5 21.966 14.790 13.692 38 H ARG 6 H ARG 6 17.709 14.771 10.084 39 HA ARG 6 HA ARG 6 17.957 16.748 8.069 40 HB2 ARG 6 HB2 ARG 6 16.135 15.560 6.901 41 HB3 ARG 6 HB3 ARG 6 17.411 14.493 7.494 42 HG2 ARG 6 HG2 ARG 6 15.984 13.952 9.476 43 HG3 ARG 6 HG3 ARG 6 14.665 14.884 8.758 44 HD2 ARG 6 HD2 ARG 6 16.010 12.472 7.457 45 HD3 ARG 6 HD3 ARG 6 14.601 12.393 8.525 46 HE ARG 6 HE ARG 6 14.571 14.010 6.011 47 HH11 ARG 6 HH11 ARG 6 13.166 11.285 7.713 48 HH12 ARG 6 HH12 ARG 6 11.604 11.501 6.923 49 HH21 ARG 6 HH21 ARG 6 12.710 14.106 4.956 50 HH22 ARG 6 HH22 ARG 6 11.441 12.927 5.216 51 H ARG 7 H ARG 7 15.392 16.548 10.558 52 HA ARG 7 HA ARG 7 14.204 19.084 9.590 53 HB2 ARG 7 HB2 ARG 7 13.686 17.336 12.024 54 HB3 ARG 7 HB3 ARG 7 12.965 18.934 11.839 55 HG2 ARG 7 HG2 ARG 7 11.939 18.294 9.713 56 HG3 ARG 7 HG3 ARG 7 12.647 16.678 9.820 57 HD2 ARG 7 HD2 ARG 7 11.323 16.172 11.816 58 HD3 ARG 7 HD3 ARG 7 10.775 17.854 11.911 59 HE ARG 7 HE ARG 7 10.137 16.267 9.471 60 HH11 ARG 7 HH11 ARG 7 8.812 17.627 12.433 61 HH12 ARG 7 HH12 ARG 7 7.267 17.954 11.700 62 HH21 ARG 7 HH21 ARG 7 8.103 16.693 8.622 63 HH22 ARG 7 HH22 ARG 7 6.854 17.355 9.666 64 H CYS 8 H CYS 8 16.547 18.194 12.120 65 HA CYS 8 HA CYS 8 16.576 20.754 13.398 66 HB2 CYS 8 HB2 CYS 8 17.550 18.788 14.503 67 HB3 CYS 8 HB3 CYS 8 18.766 18.664 13.215 68 H GLU 9 H GLU 9 18.645 19.557 10.650 69 HA GLU 9 HA GLU 9 20.302 21.836 10.436 70 HB2 GLU 9 HB2 GLU 9 19.294 19.847 8.370 71 HB3 GLU 9 HB3 GLU 9 20.362 21.182 7.930 72 HG2 GLU 9 HG2 GLU 9 22.037 20.416 9.590 73 HG3 GLU 9 HG3 GLU 9 21.020 19.035 9.982 74 H LEU 10 H LEU 10 16.958 21.475 9.330 75 HA LEU 10 HA LEU 10 16.869 23.970 7.830 76 HB2 LEU 10 HB2 LEU 10 14.599 22.307 8.992 77 HB3 LEU 10 HB3 LEU 10 14.456 23.554 7.760 78 HG LEU 10 HG LEU 10 15.953 20.923 7.440 79 HD11 LEU 10 HD11 LEU 10 13.282 21.826 6.293 80 HD12 LEU 10 HD12 LEU 10 14.104 20.291 5.949 81 HD13 LEU 10 HD13 LEU 10 13.507 20.626 7.581 82 HD21 LEU 10 HD21 LEU 10 15.308 23.113 5.421 83 HD22 LEU 10 HD22 LEU 10 16.928 22.654 6.003 84 HD23 LEU 10 HD23 LEU 10 15.992 21.521 5.022 85 H SER 11 H SER 11 16.341 23.127 11.206 86 HA SER 11 HA SER 11 15.196 25.723 11.980 87 HB2 SER 11 HB2 SER 11 14.902 23.692 13.342 88 HB3 SER 11 HB3 SER 11 16.636 23.642 13.678 89 HG SER 11 HG SER 11 15.358 24.629 15.316 90 H CYS 12 H CYS 12 18.460 24.215 12.182 91 HA CYS 12 HA CYS 12 19.836 26.499 13.104 92 HB2 CYS 12 HB2 CYS 12 20.797 24.246 11.292 93 HB3 CYS 12 HB3 CYS 12 21.833 25.353 12.176 94 H ARG 13 H ARG 13 18.991 25.630 9.758 95 HA ARG 13 HA ARG 13 20.360 27.648 8.347 96 HB2 ARG 13 HB2 ARG 13 19.119 25.653 7.454 97 HB3 ARG 13 HB3 ARG 13 17.601 26.515 7.729 98 HG2 ARG 13 HG2 ARG 13 18.251 28.234 6.095 99 HG3 ARG 13 HG3 ARG 13 19.872 27.533 5.997 100 HD2 ARG 13 HD2 ARG 13 18.688 26.854 4.047 101 HD3 ARG 13 HD3 ARG 13 18.892 25.427 5.075 102 HE ARG 13 HE ARG 13 16.383 26.486 5.768 103 HH11 ARG 13 HH11 ARG 13 17.744 25.090 2.846 104 HH12 ARG 13 HH12 ARG 13 16.173 25.093 2.064 105 HH21 ARG 13 HH21 ARG 13 14.463 26.128 4.856 106 HH22 ARG 13 HH22 ARG 13 14.337 25.324 3.297 107 H SER 14 H SER 14 17.578 28.073 10.460 108 HA SER 14 HA SER 14 16.652 30.608 9.539 109 HB2 SER 14 HB2 SER 14 15.525 29.120 11.220 110 HB3 SER 14 HB3 SER 14 16.764 29.592 12.401 111 HG SER 14 HG SER 14 14.604 31.007 11.382 112 H LEU 15 H LEU 15 19.576 29.787 11.424 113 HA LEU 15 HA LEU 15 20.337 32.675 11.508 114 HB2 LEU 15 HB2 LEU 15 21.129 30.344 13.290 115 HB3 LEU 15 HB3 LEU 15 21.792 31.973 13.419 116 HG LEU 15 HG LEU 15 18.869 31.232 13.860 117 HD11 LEU 15 HD11 LEU 15 20.347 30.286 15.591 118 HD12 LEU 15 HD12 LEU 15 21.086 31.885 15.850 119 HD13 LEU 15 HD13 LEU 15 19.376 31.611 16.245 120 HD21 LEU 15 HD21 LEU 15 20.389 33.831 14.372 121 HD22 LEU 15 HD22 LEU 15 19.117 33.583 13.153 122 HD23 LEU 15 HD23 LEU 15 18.720 33.493 14.868 123 H GLY 16 H GLY 16 20.511 30.584 9.363 124 HA2 GLY 16 HA2 GLY 16 21.885 29.866 7.710 125 HA3 GLY 16 HA3 GLY 16 23.085 31.031 8.250 126 H LEU 17 H LEU 17 22.281 28.813 10.738 127 HA LEU 17 HA LEU 17 24.993 27.774 10.792 128 HB2 LEU 17 HB2 LEU 17 22.609 27.103 12.531 129 HB3 LEU 17 HB3 LEU 17 24.279 26.725 12.918 130 HG LEU 17 HG LEU 17 23.083 29.457 12.631 131 HD11 LEU 17 HD11 LEU 17 23.103 29.712 15.029 132 HD12 LEU 17 HD12 LEU 17 22.096 28.331 14.587 133 HD13 LEU 17 HD13 LEU 17 23.744 28.080 15.240 134 HD21 LEU 17 HD21 LEU 17 25.677 28.491 13.851 135 HD22 LEU 17 HD22 LEU 17 25.530 29.374 12.299 136 HD23 LEU 17 HD23 LEU 17 25.130 30.197 13.815 137 H LEU 18 H LEU 18 25.399 25.568 11.338 138 HA LEU 18 HA LEU 18 23.962 23.537 9.715 139 HB2 LEU 18 HB2 LEU 18 26.338 23.982 9.156 140 HB3 LEU 18 HB3 LEU 18 26.795 23.703 10.832 141 HG LEU 18 HG LEU 18 26.084 21.359 10.654 142 HD11 LEU 18 HD11 LEU 18 25.535 22.106 7.744 143 HD12 LEU 18 HD12 LEU 18 25.606 20.447 8.354 144 HD13 LEU 18 HD13 LEU 18 24.331 21.519 8.912 145 HD21 LEU 18 HD21 LEU 18 27.896 20.619 9.140 146 HD22 LEU 18 HD22 LEU 18 27.984 22.247 8.448 147 HD23 LEU 18 HD23 LEU 18 28.418 21.978 10.150 148 H GLY 19 H GLY 19 23.702 21.362 10.930 149 HA2 GLY 19 HA2 GLY 19 23.456 21.743 13.898 150 HA3 GLY 19 HA3 GLY 19 22.150 21.071 12.947 151 H LYS 20 H LYS 20 23.845 20.001 15.209 152 HA LYS 20 HA LYS 20 24.163 17.249 14.136 153 HB2 LYS 20 HB2 LYS 20 26.382 18.746 15.617 154 HB3 LYS 20 HB3 LYS 20 26.260 16.997 15.562 155 HG2 LYS 20 HG2 LYS 20 27.643 17.192 13.854 156 HG3 LYS 20 HG3 LYS 20 26.155 17.366 12.927 157 HD2 LYS 20 HD2 LYS 20 26.483 19.909 13.132 158 HD3 LYS 20 HD3 LYS 20 28.046 19.576 13.880 159 HE2 LYS 20 HE2 LYS 20 27.173 18.681 11.089 160 HE3 LYS 20 HE3 LYS 20 28.224 20.058 11.457 161 HZ1 LYS 20 HZ1 LYS 20 29.568 18.182 10.890 162 HZ2 LYS 20 HZ2 LYS 20 29.784 18.510 12.482 163 HZ3 LYS 20 HZ3 LYS 20 28.867 17.220 12.016 164 H CYS 21 H CYS 21 23.889 15.593 15.704 165 HA CYS 21 HA CYS 21 22.398 16.455 18.109 166 HB2 CYS 21 HB2 CYS 21 21.577 14.575 16.673 167 HB3 CYS 21 HB3 CYS 21 22.986 13.638 17.208 168 H ILE 22 H ILE 22 23.372 16.829 20.025 169 HA ILE 22 HA ILE 22 26.142 15.860 20.441 170 HB ILE 22 HB ILE 22 24.492 17.662 22.209 171 HG12 ILE 22 HG12 ILE 22 24.650 18.802 20.113 172 HG13 ILE 22 HG13 ILE 22 25.743 19.547 21.258 173 HG21 ILE 22 HG21 ILE 22 27.463 17.053 22.120 174 HG22 ILE 22 HG22 ILE 22 26.730 18.356 23.075 175 HG23 ILE 22 HG23 ILE 22 26.331 16.675 23.433 176 HD11 ILE 22 HD11 ILE 22 26.522 17.718 18.962 177 HD12 ILE 22 HD12 ILE 22 26.814 19.448 19.090 178 HD13 ILE 22 HD13 ILE 22 27.675 18.336 20.174 179 H GLY 23 H GLY 23 23.265 15.907 22.558 180 HA2 GLY 23 HA2 GLY 23 23.704 13.085 23.381 181 HA3 GLY 23 HA3 GLY 23 23.809 14.345 24.613 182 H GLU 24 H GLU 24 21.738 13.025 22.079 183 HA GLU 24 HA GLU 24 19.539 13.018 21.653 184 HB2 GLU 24 HB2 GLU 24 19.099 13.058 24.651 185 HB3 GLU 24 HB3 GLU 24 17.957 12.568 23.403 186 HG2 GLU 24 HG2 GLU 24 18.774 10.528 24.121 187 HG3 GLU 24 HG3 GLU 24 19.716 10.822 22.666 188 H GLU 25 H GLU 25 20.889 15.629 21.893 189 HA GLU 25 HA GLU 25 18.523 17.162 21.184 190 HB2 GLU 25 HB2 GLU 25 18.774 17.791 23.556 191 HB3 GLU 25 HB3 GLU 25 20.464 18.199 23.268 192 HG2 GLU 25 HG2 GLU 25 19.329 20.243 23.303 193 HG3 GLU 25 HG3 GLU 25 19.675 19.979 21.610 194 H CYS 26 H CYS 26 18.910 18.162 19.343 195 HA CYS 26 HA CYS 26 21.532 18.271 18.155 196 HB2 CYS 26 HB2 CYS 26 19.420 17.752 16.951 197 HB3 CYS 26 HB3 CYS 26 18.896 19.410 17.230 198 H LYS 27 H LYS 27 22.982 19.876 18.096 199 HA LYS 27 HA LYS 27 22.331 22.582 19.158 200 HB2 LYS 27 HB2 LYS 27 24.028 21.335 20.409 201 HB3 LYS 27 HB3 LYS 27 24.865 20.900 18.908 202 HG2 LYS 27 HG2 LYS 27 25.425 23.254 18.505 203 HG3 LYS 27 HG3 LYS 27 24.589 23.721 20.001 204 HD2 LYS 27 HD2 LYS 27 26.212 22.351 21.302 205 HD3 LYS 27 HD3 LYS 27 27.014 21.854 19.781 206 HE2 LYS 27 HE2 LYS 27 27.387 24.212 19.202 207 HE3 LYS 27 HE3 LYS 27 26.571 24.707 20.695 208 HZ1 LYS 27 HZ1 LYS 27 29.204 23.356 20.485 209 HZ2 LYS 27 HZ2 LYS 27 28.858 24.797 21.166 210 HZ3 LYS 27 HZ3 LYS 27 28.354 23.403 21.892 211 H CYS 28 H CYS 28 22.538 24.295 17.784 212 HA CYS 28 HA CYS 28 23.469 23.808 15.036 213 HB2 CYS 28 HB2 CYS 28 22.436 26.332 16.300 214 HB3 CYS 28 HB3 CYS 28 22.808 26.099 14.598 215 H VAL 29 H VAL 29 25.186 24.910 14.046 216 HA VAL 29 HA VAL 29 27.282 25.969 15.866 217 HB VAL 29 HB VAL 29 28.942 24.427 14.955 218 HG11 VAL 29 HG11 VAL 29 28.391 22.523 16.317 219 HG12 VAL 29 HG12 VAL 29 27.831 23.991 17.124 220 HG13 VAL 29 HG13 VAL 29 26.664 22.928 16.298 221 HG21 VAL 29 HG21 VAL 29 27.873 23.700 12.858 222 HG22 VAL 29 HG22 VAL 29 28.263 22.317 13.876 223 HG23 VAL 29 HG23 VAL 29 26.586 22.878 13.780 224 HA PRO 30 HA PRO 30 27.957 28.679 12.498 225 HB2 PRO 30 HB2 PRO 30 30.065 30.112 13.368 226 HB3 PRO 30 HB3 PRO 30 28.545 29.996 14.307 227 HG2 PRO 30 HG2 PRO 30 31.073 28.358 14.698 228 HG3 PRO 30 HG3 PRO 30 30.158 29.298 15.923 229 HD2 PRO 30 HD2 PRO 30 29.761 26.614 15.503 230 HD3 PRO 30 HD3 PRO 30 28.463 27.725 16.043 231 H HIS 31 H HIS 31 29.720 25.970 12.613 232 HA HIS 31 HA HIS 31 32.093 26.157 11.295 233 HB2 HIS 31 HB2 HIS 31 29.912 24.095 10.952 234 HB3 HIS 31 HB3 HIS 31 31.498 23.942 10.195 235 HD2 HIS 31 HD2 HIS 31 33.666 24.141 11.969 236 HE1 HIS 31 HE1 HIS 31 31.485 22.633 15.300 237 HE2 HIS 31 HE2 HIS 31 33.827 23.061 14.388 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 12.323 12.054 23.190 2 H2 ALA 1 H2 ALA 1 11.988 10.552 22.612 3 H3 ALA 1 H3 ALA 1 10.806 11.705 22.675 4 HA ALA 1 HA ALA 1 11.569 11.368 20.440 5 HB1 ALA 1 HB1 ALA 1 11.994 13.730 19.902 6 HB2 ALA 1 HB2 ALA 1 10.708 13.567 21.104 7 HB3 ALA 1 HB3 ALA 1 12.329 14.082 21.619 8 H PHE 2 H PHE 2 13.209 10.743 19.146 9 HA PHE 2 HA PHE 2 15.995 10.746 20.078 10 HB2 PHE 2 HB2 PHE 2 14.989 10.126 17.291 11 HB3 PHE 2 HB3 PHE 2 16.482 9.572 18.056 12 HD1 PHE 2 HD1 PHE 2 15.609 8.410 20.617 13 HD2 PHE 2 HD2 PHE 2 13.743 8.246 16.740 14 HE1 PHE 2 HE1 PHE 2 14.371 6.353 21.275 15 HE2 PHE 2 HE2 PHE 2 12.541 6.187 17.410 16 HZ PHE 2 HZ PHE 2 12.837 5.242 19.688 17 H CYS 3 H CYS 3 17.772 11.760 18.884 18 HA CYS 3 HA CYS 3 17.380 14.514 18.247 19 HB2 CYS 3 HB2 CYS 3 19.495 13.502 19.053 20 HB3 CYS 3 HB3 CYS 3 19.641 12.626 17.531 21 H ASN 4 H ASN 4 16.805 15.578 16.339 22 HA ASN 4 HA ASN 4 16.641 13.983 13.812 23 HB2 ASN 4 HB2 ASN 4 14.903 15.977 14.883 24 HB3 ASN 4 HB3 ASN 4 15.682 16.711 13.510 25 HD21 ASN 4 HD21 ASN 4 12.883 13.909 12.921 26 HD22 ASN 4 HD22 ASN 4 13.372 14.366 14.544 27 H LEU 5 H LEU 5 17.553 14.946 11.825 28 HA LEU 5 HA LEU 5 19.774 16.877 12.255 29 HB2 LEU 5 HB2 LEU 5 19.716 14.216 10.758 30 HB3 LEU 5 HB3 LEU 5 20.810 15.498 10.376 31 HG LEU 5 HG LEU 5 22.035 13.989 11.625 32 HD11 LEU 5 HD11 LEU 5 22.382 16.351 12.345 33 HD12 LEU 5 HD12 LEU 5 21.301 16.053 13.725 34 HD13 LEU 5 HD13 LEU 5 22.815 15.146 13.573 35 HD21 LEU 5 HD21 LEU 5 20.141 12.712 12.613 36 HD22 LEU 5 HD22 LEU 5 21.486 12.996 13.733 37 HD23 LEU 5 HD23 LEU 5 20.015 13.950 13.881 38 H ARG 6 H ARG 6 18.022 15.184 9.606 39 HA ARG 6 HA ARG 6 18.240 17.399 7.793 40 HB2 ARG 6 HB2 ARG 6 16.439 14.937 7.783 41 HB3 ARG 6 HB3 ARG 6 16.472 16.138 6.484 42 HG2 ARG 6 HG2 ARG 6 18.935 15.765 6.226 43 HG3 ARG 6 HG3 ARG 6 18.842 14.439 7.390 44 HD2 ARG 6 HD2 ARG 6 17.235 14.598 4.800 45 HD3 ARG 6 HD3 ARG 6 18.795 13.778 4.948 46 HE ARG 6 HE ARG 6 17.462 12.491 6.887 47 HH11 ARG 6 HH11 ARG 6 16.492 13.073 3.497 48 HH12 ARG 6 HH12 ARG 6 15.574 11.580 3.519 49 HH21 ARG 6 HH21 ARG 6 16.369 10.548 6.569 50 HH22 ARG 6 HH22 ARG 6 15.523 10.299 5.054 51 H ARG 7 H ARG 7 15.573 16.508 10.037 52 HA ARG 7 HA ARG 7 14.013 18.894 9.244 53 HB2 ARG 7 HB2 ARG 7 13.669 17.096 11.654 54 HB3 ARG 7 HB3 ARG 7 12.534 18.255 11.067 55 HG2 ARG 7 HG2 ARG 7 13.357 15.688 9.614 56 HG3 ARG 7 HG3 ARG 7 11.901 15.933 10.552 57 HD2 ARG 7 HD2 ARG 7 11.283 17.789 8.881 58 HD3 ARG 7 HD3 ARG 7 12.596 17.162 7.868 59 HE ARG 7 HE ARG 7 10.261 15.509 8.836 60 HH11 ARG 7 HH11 ARG 7 11.841 16.568 5.886 61 HH12 ARG 7 HH12 ARG 7 11.309 15.103 5.074 62 HH21 ARG 7 HH21 ARG 7 9.520 13.880 7.600 63 HH22 ARG 7 HH22 ARG 7 10.116 13.721 5.944 64 H CYS 8 H CYS 8 16.343 18.051 11.809 65 HA CYS 8 HA CYS 8 15.908 20.354 13.457 66 HB2 CYS 8 HB2 CYS 8 17.210 18.516 14.313 67 HB3 CYS 8 HB3 CYS 8 18.379 18.667 12.994 68 H GLU 9 H GLU 9 18.146 19.912 10.648 69 HA GLU 9 HA GLU 9 19.415 22.402 10.764 70 HB2 GLU 9 HB2 GLU 9 18.747 20.649 8.365 71 HB3 GLU 9 HB3 GLU 9 19.665 22.141 8.247 72 HG2 GLU 9 HG2 GLU 9 21.079 20.962 10.230 73 HG3 GLU 9 HG3 GLU 9 20.495 19.521 9.403 74 H LEU 10 H LEU 10 16.095 21.894 9.813 75 HA LEU 10 HA LEU 10 15.719 24.318 8.269 76 HB2 LEU 10 HB2 LEU 10 13.727 22.800 10.002 77 HB3 LEU 10 HB3 LEU 10 13.324 23.982 8.763 78 HG LEU 10 HG LEU 10 14.692 21.306 8.269 79 HD11 LEU 10 HD11 LEU 10 12.544 20.654 7.271 80 HD12 LEU 10 HD12 LEU 10 12.330 21.105 8.971 81 HD13 LEU 10 HD13 LEU 10 11.855 22.239 7.688 82 HD21 LEU 10 HD21 LEU 10 13.688 23.474 6.364 83 HD22 LEU 10 HD22 LEU 10 15.362 22.905 6.550 84 HD23 LEU 10 HD23 LEU 10 14.139 21.840 5.849 85 H SER 11 H SER 11 15.983 23.759 11.701 86 HA SER 11 HA SER 11 15.124 26.531 12.363 87 HB2 SER 11 HB2 SER 11 14.719 24.602 13.916 88 HB3 SER 11 HB3 SER 11 16.470 24.508 14.190 89 HG SER 11 HG SER 11 16.429 26.481 15.168 90 H CYS 12 H CYS 12 18.147 24.621 12.224 91 HA CYS 12 HA CYS 12 19.861 26.719 13.078 92 HB2 CYS 12 HB2 CYS 12 20.469 24.269 11.368 93 HB3 CYS 12 HB3 CYS 12 21.660 25.235 12.198 94 H ARG 13 H ARG 13 19.052 25.712 9.729 95 HA ARG 13 HA ARG 13 20.989 27.404 8.458 96 HB2 ARG 13 HB2 ARG 13 18.449 26.064 7.466 97 HB3 ARG 13 HB3 ARG 13 19.556 26.961 6.416 98 HG2 ARG 13 HG2 ARG 13 21.410 25.487 6.979 99 HG3 ARG 13 HG3 ARG 13 20.421 24.587 8.134 100 HD2 ARG 13 HD2 ARG 13 18.895 23.925 6.281 101 HD3 ARG 13 HD3 ARG 13 19.941 24.795 5.138 102 HE ARG 13 HE ARG 13 21.374 22.815 6.752 103 HH11 ARG 13 HH11 ARG 13 19.475 23.109 3.797 104 HH12 ARG 13 HH12 ARG 13 20.223 21.648 3.135 105 HH21 ARG 13 HH21 ARG 13 22.132 20.945 5.830 106 HH22 ARG 13 HH22 ARG 13 21.634 20.548 4.185 107 H SER 14 H SER 14 17.930 28.249 9.856 108 HA SER 14 HA SER 14 17.486 30.687 8.382 109 HB2 SER 14 HB2 SER 14 15.838 29.467 9.863 110 HB3 SER 14 HB3 SER 14 16.683 30.158 11.261 111 HG SER 14 HG SER 14 15.968 32.150 10.722 112 H LEU 15 H LEU 15 19.778 29.848 10.925 113 HA LEU 15 HA LEU 15 20.720 32.673 11.094 114 HB2 LEU 15 HB2 LEU 15 21.117 30.288 12.933 115 HB3 LEU 15 HB3 LEU 15 21.805 31.884 13.197 116 HG LEU 15 HG LEU 15 18.837 31.204 13.171 117 HD11 LEU 15 HD11 LEU 15 20.047 30.304 15.130 118 HD12 LEU 15 HD12 LEU 15 20.710 31.920 15.470 119 HD13 LEU 15 HD13 LEU 15 18.962 31.620 15.592 120 HD21 LEU 15 HD21 LEU 15 20.272 33.818 13.826 121 HD22 LEU 15 HD22 LEU 15 19.155 33.523 12.465 122 HD23 LEU 15 HD23 LEU 15 18.551 33.488 14.123 123 H GLY 16 H GLY 16 21.200 30.380 9.031 124 HA2 GLY 16 HA2 GLY 16 22.901 29.741 7.640 125 HA3 GLY 16 HA3 GLY 16 23.945 30.934 8.413 126 H LEU 17 H LEU 17 22.497 28.381 10.359 127 HA LEU 17 HA LEU 17 25.204 27.353 10.986 128 HB2 LEU 17 HB2 LEU 17 22.579 26.928 12.416 129 HB3 LEU 17 HB3 LEU 17 24.162 26.519 13.043 130 HG LEU 17 HG LEU 17 23.108 29.269 12.428 131 HD11 LEU 17 HD11 LEU 17 23.458 28.095 15.189 132 HD12 LEU 17 HD12 LEU 17 22.853 29.696 14.770 133 HD13 LEU 17 HD13 LEU 17 21.891 28.283 14.335 134 HD21 LEU 17 HD21 LEU 17 25.024 30.046 13.805 135 HD22 LEU 17 HD22 LEU 17 25.542 28.350 13.975 136 HD23 LEU 17 HD23 LEU 17 25.564 29.155 12.370 137 H LEU 18 H LEU 18 25.281 25.089 11.695 138 HA LEU 18 HA LEU 18 23.875 23.106 9.945 139 HB2 LEU 18 HB2 LEU 18 26.251 23.087 9.496 140 HB3 LEU 18 HB3 LEU 18 26.639 23.206 11.206 141 HG LEU 18 HG LEU 18 25.776 20.900 11.578 142 HD11 LEU 18 HD11 LEU 18 25.418 19.415 9.653 143 HD12 LEU 18 HD12 LEU 18 24.242 20.730 9.599 144 HD13 LEU 18 HD13 LEU 18 25.659 20.766 8.534 145 HD21 LEU 18 HD21 LEU 18 28.170 21.323 11.192 146 HD22 LEU 18 HD22 LEU 18 27.667 19.758 10.519 147 HD23 LEU 18 HD23 LEU 18 27.917 21.139 9.442 148 H GLY 19 H GLY 19 22.968 21.278 11.053 149 HA2 GLY 19 HA2 GLY 19 22.621 21.530 14.016 150 HA3 GLY 19 HA3 GLY 19 21.566 20.645 12.924 151 H LYS 20 H LYS 20 23.606 20.132 15.339 152 HA LYS 20 HA LYS 20 24.328 17.362 14.480 153 HB2 LYS 20 HB2 LYS 20 26.203 19.427 15.617 154 HB3 LYS 20 HB3 LYS 20 26.484 17.693 15.843 155 HG2 LYS 20 HG2 LYS 20 26.601 17.283 13.463 156 HG3 LYS 20 HG3 LYS 20 26.030 18.916 13.093 157 HD2 LYS 20 HD2 LYS 20 28.323 18.934 12.696 158 HD3 LYS 20 HD3 LYS 20 28.008 19.874 14.165 159 HE2 LYS 20 HE2 LYS 20 28.723 17.852 15.521 160 HE3 LYS 20 HE3 LYS 20 29.132 17.034 13.994 161 HZ1 LYS 20 HZ1 LYS 20 31.093 18.112 14.950 162 HZ2 LYS 20 HZ2 LYS 20 30.692 18.891 13.548 163 HZ3 LYS 20 HZ3 LYS 20 30.330 19.538 15.027 164 H CYS 21 H CYS 21 24.387 15.814 16.204 165 HA CYS 21 HA CYS 21 22.615 16.468 18.413 166 HB2 CYS 21 HB2 CYS 21 24.078 13.907 17.735 167 HB3 CYS 21 HB3 CYS 21 22.763 14.081 18.890 168 H ILE 22 H ILE 22 23.280 17.349 20.293 169 HA ILE 22 HA ILE 22 26.090 17.498 20.974 170 HB ILE 22 HB ILE 22 24.300 19.331 21.000 171 HG12 ILE 22 HG12 ILE 22 26.156 19.111 23.391 172 HG13 ILE 22 HG13 ILE 22 26.652 19.522 21.744 173 HG21 ILE 22 HG21 ILE 22 23.041 19.709 23.016 174 HG22 ILE 22 HG22 ILE 22 22.678 18.067 22.491 175 HG23 ILE 22 HG23 ILE 22 23.800 18.336 23.838 176 HD11 ILE 22 HD11 ILE 22 25.183 21.532 21.809 177 HD12 ILE 22 HD12 ILE 22 24.803 21.165 23.514 178 HD13 ILE 22 HD13 ILE 22 26.462 21.552 23.034 179 H GLY 23 H GLY 23 23.750 15.281 21.830 180 HA2 GLY 23 HA2 GLY 23 25.377 13.657 23.444 181 HA3 GLY 23 HA3 GLY 23 24.376 14.616 24.549 182 H GLU 24 H GLU 24 21.995 14.792 23.519 183 HA GLU 24 HA GLU 24 21.061 12.479 21.959 184 HB2 GLU 24 HB2 GLU 24 19.321 11.829 23.520 185 HB3 GLU 24 HB3 GLU 24 20.922 11.552 24.198 186 HG2 GLU 24 HG2 GLU 24 20.723 13.433 25.686 187 HG3 GLU 24 HG3 GLU 24 19.279 14.026 24.858 188 H GLU 25 H GLU 25 21.226 15.585 22.011 189 HA GLU 25 HA GLU 25 18.575 16.093 20.865 190 HB2 GLU 25 HB2 GLU 25 18.608 16.774 23.312 191 HB3 GLU 25 HB3 GLU 25 19.943 17.899 22.924 192 HG2 GLU 25 HG2 GLU 25 17.667 18.970 23.045 193 HG3 GLU 25 HG3 GLU 25 18.495 19.243 21.529 194 H CYS 26 H CYS 26 18.506 17.859 19.313 195 HA CYS 26 HA CYS 26 21.130 18.169 17.979 196 HB2 CYS 26 HB2 CYS 26 19.104 17.425 16.722 197 HB3 CYS 26 HB3 CYS 26 18.377 18.996 17.052 198 H LYS 27 H LYS 27 22.347 19.974 18.093 199 HA LYS 27 HA LYS 27 21.010 22.601 18.490 200 HB2 LYS 27 HB2 LYS 27 23.357 21.667 20.181 201 HB3 LYS 27 HB3 LYS 27 22.883 23.360 19.990 202 HG2 LYS 27 HG2 LYS 27 20.543 22.722 20.689 203 HG3 LYS 27 HG3 LYS 27 21.176 21.115 21.117 204 HD2 LYS 27 HD2 LYS 27 22.761 22.305 22.731 205 HD3 LYS 27 HD3 LYS 27 21.874 23.804 22.362 206 HE2 LYS 27 HE2 LYS 27 19.740 22.441 22.919 207 HE3 LYS 27 HE3 LYS 27 20.812 21.236 23.633 208 HZ1 LYS 27 HZ1 LYS 27 21.607 22.996 25.170 209 HZ2 LYS 27 HZ2 LYS 27 20.608 24.084 24.448 210 HZ3 LYS 27 HZ3 LYS 27 19.972 22.820 25.268 211 H CYS 28 H CYS 28 21.973 24.375 17.730 212 HA CYS 28 HA CYS 28 23.178 23.791 15.169 213 HB2 CYS 28 HB2 CYS 28 22.189 26.348 16.411 214 HB3 CYS 28 HB3 CYS 28 22.591 26.121 14.698 215 H VAL 29 H VAL 29 24.978 24.760 14.178 216 HA VAL 29 HA VAL 29 26.970 26.156 15.857 217 HB VAL 29 HB VAL 29 28.738 24.643 15.395 218 HG11 VAL 29 HG11 VAL 29 28.177 22.774 16.772 219 HG12 VAL 29 HG12 VAL 29 27.370 24.210 17.407 220 HG13 VAL 29 HG13 VAL 29 26.443 22.994 16.491 221 HG21 VAL 29 HG21 VAL 29 28.425 22.413 14.391 222 HG22 VAL 29 HG22 VAL 29 26.754 22.836 13.959 223 HG23 VAL 29 HG23 VAL 29 28.129 23.693 13.218 224 HA PRO 30 HA PRO 30 27.563 28.261 12.030 225 HB2 PRO 30 HB2 PRO 30 29.488 30.032 12.669 226 HB3 PRO 30 HB3 PRO 30 27.967 29.944 13.601 227 HG2 PRO 30 HG2 PRO 30 30.609 28.604 14.283 228 HG3 PRO 30 HG3 PRO 30 29.624 29.690 15.325 229 HD2 PRO 30 HD2 PRO 30 29.405 26.965 15.444 230 HD3 PRO 30 HD3 PRO 30 28.003 28.050 15.675 231 H HIS 31 H HIS 31 29.814 25.958 12.781 232 HA HIS 31 HA HIS 31 32.116 26.568 11.390 233 HB2 HIS 31 HB2 HIS 31 30.952 23.824 11.908 234 HB3 HIS 31 HB3 HIS 31 32.636 24.167 11.493 235 HD2 HIS 31 HD2 HIS 31 34.122 25.493 13.330 236 HE1 HIS 31 HE1 HIS 31 31.326 25.389 16.527 237 HE2 HIS 31 HE2 HIS 31 33.738 25.919 15.910 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 16.176 21.388 21.148 2 H2 ALA 1 H2 ALA 1 15.338 20.573 22.296 3 H3 ALA 1 H3 ALA 1 14.603 21.791 21.458 4 HA ALA 1 HA ALA 1 13.801 19.766 20.578 5 HB1 ALA 1 HB1 ALA 1 14.513 19.931 18.226 6 HB2 ALA 1 HB2 ALA 1 14.259 21.548 18.913 7 HB3 ALA 1 HB3 ALA 1 15.914 20.921 18.695 8 H PHE 2 H PHE 2 14.101 17.664 19.866 9 HA PHE 2 HA PHE 2 16.156 16.221 21.292 10 HB2 PHE 2 HB2 PHE 2 14.091 15.238 19.300 11 HB3 PHE 2 HB3 PHE 2 14.968 14.254 20.464 12 HD1 PHE 2 HD1 PHE 2 11.889 15.812 19.901 13 HD2 PHE 2 HD2 PHE 2 14.794 15.114 23.011 14 HE1 PHE 2 HE1 PHE 2 10.168 16.303 21.621 15 HE2 PHE 2 HE2 PHE 2 13.061 15.595 24.734 16 HZ PHE 2 HZ PHE 2 10.759 16.217 24.028 17 H CYS 3 H CYS 3 17.027 14.120 19.979 18 HA CYS 3 HA CYS 3 19.267 15.167 18.551 19 HB2 CYS 3 HB2 CYS 3 19.252 13.332 20.219 20 HB3 CYS 3 HB3 CYS 3 18.420 12.312 19.064 21 H ASN 4 H ASN 4 17.237 15.924 16.843 22 HA ASN 4 HA ASN 4 17.035 14.058 14.608 23 HB2 ASN 4 HB2 ASN 4 15.464 16.228 15.454 24 HB3 ASN 4 HB3 ASN 4 16.311 16.919 14.087 25 HD21 ASN 4 HD21 ASN 4 13.520 14.105 13.393 26 HD22 ASN 4 HD22 ASN 4 13.930 14.601 15.034 27 H LEU 5 H LEU 5 17.561 14.939 12.372 28 HA LEU 5 HA LEU 5 19.872 16.765 12.242 29 HB2 LEU 5 HB2 LEU 5 20.879 14.554 12.394 30 HB3 LEU 5 HB3 LEU 5 19.989 13.999 10.979 31 HG LEU 5 HG LEU 5 21.839 16.425 10.854 32 HD11 LEU 5 HD11 LEU 5 23.151 14.602 11.769 33 HD12 LEU 5 HD12 LEU 5 22.571 13.493 10.502 34 HD13 LEU 5 HD13 LEU 5 23.613 14.870 10.091 35 HD21 LEU 5 HD21 LEU 5 22.140 15.637 8.475 36 HD22 LEU 5 HD22 LEU 5 20.876 14.424 8.755 37 HD23 LEU 5 HD23 LEU 5 20.506 16.162 8.816 38 H ARG 6 H ARG 6 17.815 14.652 10.125 39 HA ARG 6 HA ARG 6 17.868 16.594 7.997 40 HB2 ARG 6 HB2 ARG 6 16.303 15.256 6.836 41 HB3 ARG 6 HB3 ARG 6 17.500 14.235 7.598 42 HG2 ARG 6 HG2 ARG 6 15.778 13.658 9.362 43 HG3 ARG 6 HG3 ARG 6 14.619 14.666 8.492 44 HD2 ARG 6 HD2 ARG 6 14.255 12.375 7.835 45 HD3 ARG 6 HD3 ARG 6 14.937 13.264 6.469 46 HE ARG 6 HE ARG 6 16.968 11.870 8.041 47 HH11 ARG 6 HH11 ARG 6 14.652 11.373 5.432 48 HH12 ARG 6 HH12 ARG 6 15.482 9.943 4.892 49 HH21 ARG 6 HH21 ARG 6 18.089 10.193 7.075 50 HH22 ARG 6 HH22 ARG 6 17.325 9.323 5.756 51 H ARG 7 H ARG 7 15.767 16.400 10.770 52 HA ARG 7 HA ARG 7 14.164 18.714 9.770 53 HB2 ARG 7 HB2 ARG 7 14.012 17.292 12.444 54 HB3 ARG 7 HB3 ARG 7 12.894 18.441 11.827 55 HG2 ARG 7 HG2 ARG 7 13.390 15.598 10.836 56 HG3 ARG 7 HG3 ARG 7 11.943 16.225 11.602 57 HD2 ARG 7 HD2 ARG 7 11.483 17.608 9.577 58 HD3 ARG 7 HD3 ARG 7 12.936 16.941 8.802 59 HE ARG 7 HE ARG 7 11.467 14.715 9.624 60 HH11 ARG 7 HH11 ARG 7 11.192 17.057 6.985 61 HH12 ARG 7 HH12 ARG 7 9.892 16.144 6.300 62 HH21 ARG 7 HH21 ARG 7 9.611 13.814 8.730 63 HH22 ARG 7 HH22 ARG 7 9.002 14.498 7.257 64 H CYS 8 H CYS 8 16.690 18.014 12.179 65 HA CYS 8 HA CYS 8 16.546 20.496 13.549 66 HB2 CYS 8 HB2 CYS 8 17.618 18.574 14.521 67 HB3 CYS 8 HB3 CYS 8 18.823 18.530 13.222 68 H GLU 9 H GLU 9 18.534 19.530 10.706 69 HA GLU 9 HA GLU 9 20.168 21.832 10.448 70 HB2 GLU 9 HB2 GLU 9 18.968 19.879 8.465 71 HB3 GLU 9 HB3 GLU 9 20.024 21.169 7.932 72 HG2 GLU 9 HG2 GLU 9 21.001 19.340 10.143 73 HG3 GLU 9 HG3 GLU 9 20.950 18.743 8.488 74 H LEU 10 H LEU 10 16.724 21.467 9.631 75 HA LEU 10 HA LEU 10 16.504 23.688 7.843 76 HB2 LEU 10 HB2 LEU 10 14.346 22.589 9.682 77 HB3 LEU 10 HB3 LEU 10 14.105 23.451 8.176 78 HG LEU 10 HG LEU 10 15.298 20.653 8.458 79 HD11 LEU 10 HD11 LEU 10 12.588 21.576 7.419 80 HD12 LEU 10 HD12 LEU 10 13.188 19.905 7.473 81 HD13 LEU 10 HD13 LEU 10 12.884 20.784 8.979 82 HD21 LEU 10 HD21 LEU 10 16.198 21.785 6.462 83 HD22 LEU 10 HD22 LEU 10 15.042 20.530 6.003 84 HD23 LEU 10 HD23 LEU 10 14.547 22.237 5.972 85 H SER 11 H SER 11 16.062 23.477 11.385 86 HA SER 11 HA SER 11 15.282 26.267 11.694 87 HB2 SER 11 HB2 SER 11 15.637 25.621 14.161 88 HB3 SER 11 HB3 SER 11 14.305 24.876 13.257 89 HG SER 11 HG SER 11 16.622 23.764 14.322 90 H CYS 12 H CYS 12 18.297 24.396 12.194 91 HA CYS 12 HA CYS 12 19.799 26.687 13.094 92 HB2 CYS 12 HB2 CYS 12 20.748 24.123 11.765 93 HB3 CYS 12 HB3 CYS 12 21.795 25.332 12.510 94 H ARG 13 H ARG 13 19.485 25.328 9.744 95 HA ARG 13 HA ARG 13 21.267 27.239 8.547 96 HB2 ARG 13 HB2 ARG 13 19.030 25.507 7.430 97 HB3 ARG 13 HB3 ARG 13 20.060 26.530 6.416 98 HG2 ARG 13 HG2 ARG 13 22.058 25.389 7.023 99 HG3 ARG 13 HG3 ARG 13 21.279 24.531 8.359 100 HD2 ARG 13 HD2 ARG 13 19.867 23.299 6.737 101 HD3 ARG 13 HD3 ARG 13 20.700 24.118 5.416 102 HE ARG 13 HE ARG 13 22.054 22.361 7.461 103 HH11 ARG 13 HH11 ARG 13 22.066 23.565 4.150 104 HH12 ARG 13 HH12 ARG 13 23.369 22.474 3.707 105 HH21 ARG 13 HH21 ARG 13 23.503 20.919 6.765 106 HH22 ARG 13 HH22 ARG 13 24.108 20.978 5.107 107 H SER 14 H SER 14 17.981 27.587 9.581 108 HA SER 14 HA SER 14 17.281 29.964 8.106 109 HB2 SER 14 HB2 SER 14 16.424 28.981 10.864 110 HB3 SER 14 HB3 SER 14 15.748 30.382 10.035 111 HG SER 14 HG SER 14 15.562 27.652 9.334 112 H LEU 15 H LEU 15 19.609 29.494 10.685 113 HA LEU 15 HA LEU 15 19.948 32.436 11.000 114 HB2 LEU 15 HB2 LEU 15 20.781 30.167 12.838 115 HB3 LEU 15 HB3 LEU 15 20.970 31.893 13.165 116 HG LEU 15 HG LEU 15 18.313 30.415 12.907 117 HD11 LEU 15 HD11 LEU 15 18.148 30.730 15.334 118 HD12 LEU 15 HD12 LEU 15 19.581 29.775 14.923 119 HD13 LEU 15 HD13 LEU 15 19.754 31.491 15.364 120 HD21 LEU 15 HD21 LEU 15 18.908 33.273 13.784 121 HD22 LEU 15 HD22 LEU 15 18.075 32.794 12.286 122 HD23 LEU 15 HD23 LEU 15 17.328 32.474 13.855 123 H GLY 16 H GLY 16 21.066 30.334 8.941 124 HA2 GLY 16 HA2 GLY 16 22.970 30.311 7.639 125 HA3 GLY 16 HA3 GLY 16 23.650 31.591 8.650 126 H LEU 17 H LEU 17 22.649 28.529 10.020 127 HA LEU 17 HA LEU 17 25.459 27.807 10.745 128 HB2 LEU 17 HB2 LEU 17 22.887 26.998 12.124 129 HB3 LEU 17 HB3 LEU 17 24.502 26.910 12.796 130 HG LEU 17 HG LEU 17 22.933 29.407 12.207 131 HD11 LEU 17 HD11 LEU 17 22.604 29.776 14.521 132 HD12 LEU 17 HD12 LEU 17 21.970 28.184 14.112 133 HD13 LEU 17 HD13 LEU 17 23.543 28.354 14.955 134 HD21 LEU 17 HD21 LEU 17 25.420 29.701 12.135 135 HD22 LEU 17 HD22 LEU 17 24.648 30.565 13.478 136 HD23 LEU 17 HD23 LEU 17 25.490 28.992 13.772 137 H LEU 18 H LEU 18 25.492 25.413 11.478 138 HA LEU 18 HA LEU 18 23.924 23.599 9.699 139 HB2 LEU 18 HB2 LEU 18 26.489 22.996 11.202 140 HB3 LEU 18 HB3 LEU 18 25.580 21.853 10.182 141 HG LEU 18 HG LEU 18 26.979 24.345 9.198 142 HD11 LEU 18 HD11 LEU 18 28.510 22.578 10.022 143 HD12 LEU 18 HD12 LEU 18 27.707 21.406 8.962 144 HD13 LEU 18 HD13 LEU 18 28.617 22.755 8.253 145 HD21 LEU 18 HD21 LEU 18 26.631 23.357 6.951 146 HD22 LEU 18 HD22 LEU 18 25.648 22.077 7.684 147 HD23 LEU 18 HD23 LEU 18 25.092 23.763 7.733 148 H GLY 19 H GLY 19 23.322 21.610 10.797 149 HA2 GLY 19 HA2 GLY 19 22.672 21.943 13.728 150 HA3 GLY 19 HA3 GLY 19 21.572 21.197 12.571 151 H LYS 20 H LYS 20 23.380 20.392 15.044 152 HA LYS 20 HA LYS 20 24.156 17.675 14.049 153 HB2 LYS 20 HB2 LYS 20 25.942 19.628 15.545 154 HB3 LYS 20 HB3 LYS 20 26.287 17.917 15.314 155 HG2 LYS 20 HG2 LYS 20 26.386 18.194 12.872 156 HG3 LYS 20 HG3 LYS 20 25.975 19.926 13.029 157 HD2 LYS 20 HD2 LYS 20 27.942 20.347 14.346 158 HD3 LYS 20 HD3 LYS 20 28.374 18.627 14.321 159 HE2 LYS 20 HE2 LYS 20 28.470 18.831 11.762 160 HE3 LYS 20 HE3 LYS 20 28.368 20.588 11.989 161 HZ1 LYS 20 HZ1 LYS 20 30.406 20.355 13.435 162 HZ2 LYS 20 HZ2 LYS 20 30.483 18.781 13.026 163 HZ3 LYS 20 HZ3 LYS 20 30.682 19.936 11.870 164 H CYS 21 H CYS 21 23.863 16.051 15.581 165 HA CYS 21 HA CYS 21 22.443 16.787 18.040 166 HB2 CYS 21 HB2 CYS 21 21.632 14.910 16.831 167 HB3 CYS 21 HB3 CYS 21 23.200 14.102 16.908 168 H ILE 22 H ILE 22 23.118 16.785 20.069 169 HA ILE 22 HA ILE 22 25.990 16.524 20.727 170 HB ILE 22 HB ILE 22 23.606 17.199 22.491 171 HG12 ILE 22 HG12 ILE 22 23.814 18.960 20.863 172 HG13 ILE 22 HG13 ILE 22 24.377 19.518 22.428 173 HG21 ILE 22 HG21 ILE 22 26.606 17.356 23.027 174 HG22 ILE 22 HG22 ILE 22 25.353 18.069 24.059 175 HG23 ILE 22 HG23 ILE 22 25.420 16.324 23.848 176 HD11 ILE 22 HD11 ILE 22 26.743 19.277 21.676 177 HD12 ILE 22 HD12 ILE 22 26.162 18.739 20.080 178 HD13 ILE 22 HD13 ILE 22 25.810 20.377 20.652 179 H GLY 23 H GLY 23 22.944 15.061 21.914 180 HA2 GLY 23 HA2 GLY 23 23.968 12.367 21.870 181 HA3 GLY 23 HA3 GLY 23 24.013 13.029 23.508 182 H GLU 24 H GLU 24 21.709 14.507 23.621 183 HA GLU 24 HA GLU 24 19.448 12.730 22.753 184 HB2 GLU 24 HB2 GLU 24 19.474 14.210 25.390 185 HB3 GLU 24 HB3 GLU 24 18.344 12.986 24.798 186 HG2 GLU 24 HG2 GLU 24 20.266 11.330 24.816 187 HG3 GLU 24 HG3 GLU 24 21.239 12.552 25.644 188 H GLU 25 H GLU 25 20.804 15.633 22.280 189 HA GLU 25 HA GLU 25 18.306 16.977 21.439 190 HB2 GLU 25 HB2 GLU 25 20.564 18.199 23.066 191 HB3 GLU 25 HB3 GLU 25 19.319 19.145 22.244 192 HG2 GLU 25 HG2 GLU 25 17.563 18.039 23.557 193 HG3 GLU 25 HG3 GLU 25 18.780 17.072 24.390 194 H CYS 26 H CYS 26 18.634 18.491 19.762 195 HA CYS 26 HA CYS 26 21.288 18.358 18.399 196 HB2 CYS 26 HB2 CYS 26 19.577 17.211 17.098 197 HB3 CYS 26 HB3 CYS 26 18.595 18.678 17.075 198 H LYS 27 H LYS 27 22.291 20.121 17.768 199 HA LYS 27 HA LYS 27 21.214 22.797 18.469 200 HB2 LYS 27 HB2 LYS 27 23.541 21.394 19.845 201 HB3 LYS 27 HB3 LYS 27 23.402 23.152 19.797 202 HG2 LYS 27 HG2 LYS 27 21.151 23.040 20.799 203 HG3 LYS 27 HG3 LYS 27 21.281 21.273 20.898 204 HD2 LYS 27 HD2 LYS 27 23.281 21.564 22.399 205 HD3 LYS 27 HD3 LYS 27 22.908 23.303 22.454 206 HE2 LYS 27 HE2 LYS 27 20.707 22.872 23.387 207 HE3 LYS 27 HE3 LYS 27 20.875 21.129 23.123 208 HZ1 LYS 27 HZ1 LYS 27 22.508 22.710 25.022 209 HZ2 LYS 27 HZ2 LYS 27 21.273 21.669 25.404 210 HZ3 LYS 27 HZ3 LYS 27 22.634 21.074 24.746 211 H CYS 28 H CYS 28 22.741 24.522 17.892 212 HA CYS 28 HA CYS 28 23.490 23.918 15.106 213 HB2 CYS 28 HB2 CYS 28 22.876 26.530 16.463 214 HB3 CYS 28 HB3 CYS 28 23.083 26.268 14.716 215 H VAL 29 H VAL 29 25.231 25.086 13.997 216 HA VAL 29 HA VAL 29 27.464 26.037 15.681 217 HB VAL 29 HB VAL 29 29.130 24.553 14.721 218 HG11 VAL 29 HG11 VAL 29 26.959 22.928 16.104 219 HG12 VAL 29 HG12 VAL 29 28.683 22.551 15.995 220 HG13 VAL 29 HG13 VAL 29 28.166 23.970 16.904 221 HG21 VAL 29 HG21 VAL 29 28.534 22.463 13.603 222 HG22 VAL 29 HG22 VAL 29 26.822 22.946 13.549 223 HG23 VAL 29 HG23 VAL 29 28.065 23.844 12.635 224 HA PRO 30 HA PRO 30 28.373 28.288 11.868 225 HB2 PRO 30 HB2 PRO 30 30.481 29.763 12.631 226 HB3 PRO 30 HB3 PRO 30 28.879 29.930 13.401 227 HG2 PRO 30 HG2 PRO 30 31.243 28.334 14.417 228 HG3 PRO 30 HG3 PRO 30 30.232 29.518 15.314 229 HD2 PRO 30 HD2 PRO 30 29.832 26.752 15.307 230 HD3 PRO 30 HD3 PRO 30 28.549 27.952 15.626 231 H HIS 31 H HIS 31 28.740 26.007 11.206 232 HA HIS 31 HA HIS 31 29.800 24.422 9.974 233 HB2 HIS 31 HB2 HIS 31 31.252 26.902 9.036 234 HB3 HIS 31 HB3 HIS 31 31.180 25.371 8.165 235 HD2 HIS 31 HD2 HIS 31 28.973 24.694 6.997 236 HE1 HIS 31 HE1 HIS 31 26.681 28.169 7.778 237 HE2 HIS 31 HE2 HIS 31 26.788 26.045 6.401 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 14.487 12.064 26.126 2 H2 ALA 1 H2 ALA 1 13.086 12.452 25.337 3 H3 ALA 1 H3 ALA 1 13.581 13.379 26.592 4 HA ALA 1 HA ALA 1 13.957 14.456 24.502 5 HB1 ALA 1 HB1 ALA 1 15.400 15.064 26.354 6 HB2 ALA 1 HB2 ALA 1 16.449 13.658 26.059 7 HB3 ALA 1 HB3 ALA 1 16.374 14.977 24.874 8 H PHE 2 H PHE 2 14.942 14.523 22.415 9 HA PHE 2 HA PHE 2 16.480 12.205 21.422 10 HB2 PHE 2 HB2 PHE 2 13.780 13.003 20.269 11 HB3 PHE 2 HB3 PHE 2 14.946 12.003 19.425 12 HD1 PHE 2 HD1 PHE 2 12.371 12.047 22.015 13 HD2 PHE 2 HD2 PHE 2 15.511 9.710 20.222 14 HE1 PHE 2 HE1 PHE 2 11.467 9.990 23.094 15 HE2 PHE 2 HE2 PHE 2 14.592 7.660 21.271 16 HZ PHE 2 HZ PHE 2 12.575 7.800 22.727 17 H CYS 3 H CYS 3 17.744 12.626 19.639 18 HA CYS 3 HA CYS 3 18.167 15.425 18.783 19 HB2 CYS 3 HB2 CYS 3 19.589 12.783 18.403 20 HB3 CYS 3 HB3 CYS 3 19.971 14.171 17.403 21 H ASN 4 H ASN 4 17.113 16.281 16.974 22 HA ASN 4 HA ASN 4 16.171 14.505 14.814 23 HB2 ASN 4 HB2 ASN 4 15.482 17.141 15.682 24 HB3 ASN 4 HB3 ASN 4 16.145 17.332 14.078 25 HD21 ASN 4 HD21 ASN 4 12.543 15.687 14.438 26 HD22 ASN 4 HD22 ASN 4 13.400 16.430 15.795 27 H LEU 5 H LEU 5 16.851 15.207 12.486 28 HA LEU 5 HA LEU 5 19.531 16.438 12.336 29 HB2 LEU 5 HB2 LEU 5 19.794 13.902 12.447 30 HB3 LEU 5 HB3 LEU 5 19.101 13.838 10.835 31 HG LEU 5 HG LEU 5 21.577 15.480 11.607 32 HD11 LEU 5 HD11 LEU 5 22.018 13.109 11.950 33 HD12 LEU 5 HD12 LEU 5 21.343 12.707 10.357 34 HD13 LEU 5 HD13 LEU 5 22.843 13.643 10.481 35 HD21 LEU 5 HD21 LEU 5 22.076 15.405 9.170 36 HD22 LEU 5 HD22 LEU 5 20.516 14.620 8.874 37 HD23 LEU 5 HD23 LEU 5 20.598 16.290 9.492 38 H ARG 6 H ARG 6 17.119 14.851 10.165 39 HA ARG 6 HA ARG 6 17.473 16.725 8.006 40 HB2 ARG 6 HB2 ARG 6 15.317 14.712 8.731 41 HB3 ARG 6 HB3 ARG 6 15.062 15.864 7.434 42 HG2 ARG 6 HG2 ARG 6 15.835 13.745 6.548 43 HG3 ARG 6 HG3 ARG 6 16.928 15.068 6.178 44 HD2 ARG 6 HD2 ARG 6 18.199 13.111 6.649 45 HD3 ARG 6 HD3 ARG 6 18.493 14.290 7.941 46 HE ARG 6 HE ARG 6 16.435 12.624 8.891 47 HH11 ARG 6 HH11 ARG 6 19.785 12.033 7.890 48 HH12 ARG 6 HH12 ARG 6 19.811 10.569 8.869 49 HH21 ARG 6 HH21 ARG 6 16.589 10.782 9.932 50 HH22 ARG 6 HH22 ARG 6 18.116 9.912 10.047 51 H ARG 7 H ARG 7 15.158 16.826 10.798 52 HA ARG 7 HA ARG 7 14.102 19.415 9.840 53 HB2 ARG 7 HB2 ARG 7 13.759 18.001 12.495 54 HB3 ARG 7 HB3 ARG 7 12.990 19.495 12.058 55 HG2 ARG 7 HG2 ARG 7 11.944 18.320 10.046 56 HG3 ARG 7 HG3 ARG 7 12.637 16.804 10.656 57 HD2 ARG 7 HD2 ARG 7 11.417 17.234 12.828 58 HD3 ARG 7 HD3 ARG 7 10.582 18.576 12.040 59 HE ARG 7 HE ARG 7 10.318 15.658 11.455 60 HH11 ARG 7 HH11 ARG 7 9.097 18.859 10.603 61 HH12 ARG 7 HH12 ARG 7 7.561 18.194 10.106 62 HH21 ARG 7 HH21 ARG 7 8.443 14.930 10.719 63 HH22 ARG 7 HH22 ARG 7 7.155 16.006 10.217 64 H CYS 8 H CYS 8 16.649 18.369 12.030 65 HA CYS 8 HA CYS 8 17.013 20.881 13.380 66 HB2 CYS 8 HB2 CYS 8 17.744 18.750 14.358 67 HB3 CYS 8 HB3 CYS 8 18.875 18.519 13.011 68 H GLU 9 H GLU 9 18.676 19.474 10.472 69 HA GLU 9 HA GLU 9 20.489 21.632 10.060 70 HB2 GLU 9 HB2 GLU 9 19.186 19.666 8.136 71 HB3 GLU 9 HB3 GLU 9 20.375 20.873 7.620 72 HG2 GLU 9 HG2 GLU 9 22.014 19.971 9.248 73 HG3 GLU 9 HG3 GLU 9 20.878 18.709 9.704 74 H LEU 10 H LEU 10 17.111 21.288 8.918 75 HA LEU 10 HA LEU 10 17.006 23.806 7.496 76 HB2 LEU 10 HB2 LEU 10 14.763 22.204 8.809 77 HB3 LEU 10 HB3 LEU 10 14.564 23.467 7.603 78 HG LEU 10 HG LEU 10 15.944 20.800 7.128 79 HD11 LEU 10 HD11 LEU 10 13.196 21.767 6.249 80 HD12 LEU 10 HD12 LEU 10 13.944 20.207 5.841 81 HD13 LEU 10 HD13 LEU 10 13.507 20.567 7.519 82 HD21 LEU 10 HD21 LEU 10 15.747 21.386 4.731 83 HD22 LEU 10 HD22 LEU 10 15.145 22.999 5.184 84 HD23 LEU 10 HD23 LEU 10 16.793 22.497 5.621 85 H SER 11 H SER 11 16.174 22.865 10.836 86 HA SER 11 HA SER 11 15.131 25.367 11.719 87 HB2 SER 11 HB2 SER 11 14.840 23.182 12.831 88 HB3 SER 11 HB3 SER 11 16.543 23.154 13.272 89 HG SER 11 HG SER 11 14.853 23.914 14.808 90 H CYS 12 H CYS 12 18.481 24.049 11.955 91 HA CYS 12 HA CYS 12 19.568 26.434 13.142 92 HB2 CYS 12 HB2 CYS 12 20.800 24.068 11.682 93 HB3 CYS 12 HB3 CYS 12 21.747 25.345 12.424 94 H ARG 13 H ARG 13 19.146 25.534 9.696 95 HA ARG 13 HA ARG 13 20.865 27.581 8.674 96 HB2 ARG 13 HB2 ARG 13 19.916 25.592 7.441 97 HB3 ARG 13 HB3 ARG 13 18.407 26.492 7.276 98 HG2 ARG 13 HG2 ARG 13 19.606 28.321 6.097 99 HG3 ARG 13 HG3 ARG 13 21.152 27.491 6.368 100 HD2 ARG 13 HD2 ARG 13 18.847 26.520 4.663 101 HD3 ARG 13 HD3 ARG 13 20.351 27.212 4.090 102 HE ARG 13 HE ARG 13 21.558 25.242 5.034 103 HH11 ARG 13 HH11 ARG 13 18.048 24.711 4.722 104 HH12 ARG 13 HH12 ARG 13 18.350 23.014 4.353 105 HH21 ARG 13 HH21 ARG 13 21.691 23.073 4.740 106 HH22 ARG 13 HH22 ARG 13 20.216 22.155 4.433 107 H SER 14 H SER 14 17.589 27.821 9.952 108 HA SER 14 HA SER 14 17.044 30.482 9.064 109 HB2 SER 14 HB2 SER 14 16.010 28.923 11.448 110 HB3 SER 14 HB3 SER 14 15.355 30.473 10.880 111 HG SER 14 HG SER 14 14.350 29.474 9.392 112 H LEU 15 H LEU 15 19.610 29.643 11.054 113 HA LEU 15 HA LEU 15 19.904 32.503 11.833 114 HB2 LEU 15 HB2 LEU 15 20.768 30.015 13.347 115 HB3 LEU 15 HB3 LEU 15 21.275 31.649 13.775 116 HG LEU 15 HG LEU 15 18.376 30.697 13.770 117 HD11 LEU 15 HD11 LEU 15 18.590 30.658 16.214 118 HD12 LEU 15 HD12 LEU 15 19.711 29.510 15.455 119 HD13 LEU 15 HD13 LEU 15 20.319 31.064 16.086 120 HD21 LEU 15 HD21 LEU 15 17.990 32.737 15.135 121 HD22 LEU 15 HD22 LEU 15 19.683 33.215 14.902 122 HD23 LEU 15 HD23 LEU 15 18.568 33.149 13.519 123 H GLY 16 H GLY 16 20.799 30.373 9.617 124 HA2 GLY 16 HA2 GLY 16 22.525 30.275 8.114 125 HA3 GLY 16 HA3 GLY 16 23.419 31.482 9.032 126 H LEU 17 H LEU 17 22.269 28.376 10.405 127 HA LEU 17 HA LEU 17 25.122 27.600 10.869 128 HB2 LEU 17 HB2 LEU 17 22.784 27.002 12.657 129 HB3 LEU 17 HB3 LEU 17 24.479 26.856 13.056 130 HG LEU 17 HG LEU 17 22.985 29.429 12.563 131 HD11 LEU 17 HD11 LEU 17 23.825 28.360 15.254 132 HD12 LEU 17 HD12 LEU 17 23.058 29.914 14.918 133 HD13 LEU 17 HD13 LEU 17 22.146 28.429 14.624 134 HD21 LEU 17 HD21 LEU 17 25.684 28.855 13.809 135 HD22 LEU 17 HD22 LEU 17 25.442 29.556 12.177 136 HD23 LEU 17 HD23 LEU 17 24.967 30.478 13.616 137 H LEU 18 H LEU 18 25.500 25.395 11.345 138 HA LEU 18 HA LEU 18 23.967 23.409 9.741 139 HB2 LEU 18 HB2 LEU 18 26.346 23.456 9.318 140 HB3 LEU 18 HB3 LEU 18 26.709 23.451 11.040 141 HG LEU 18 HG LEU 18 25.819 21.146 11.230 142 HD11 LEU 18 HD11 LEU 18 25.661 21.260 8.180 143 HD12 LEU 18 HD12 LEU 18 25.423 19.815 9.188 144 HD13 LEU 18 HD13 LEU 18 24.263 21.142 9.257 145 HD21 LEU 18 HD21 LEU 18 27.686 20.039 10.062 146 HD22 LEU 18 HD22 LEU 18 27.984 21.514 9.122 147 HD23 LEU 18 HD23 LEU 18 28.216 21.510 10.888 148 H GLY 19 H GLY 19 23.129 21.523 10.792 149 HA2 GLY 19 HA2 GLY 19 22.718 21.728 13.750 150 HA3 GLY 19 HA3 GLY 19 21.603 20.973 12.627 151 H LYS 20 H LYS 20 23.610 20.213 14.991 152 HA LYS 20 HA LYS 20 24.195 17.443 14.060 153 HB2 LYS 20 HB2 LYS 20 26.180 19.453 15.100 154 HB3 LYS 20 HB3 LYS 20 26.404 17.729 15.426 155 HG2 LYS 20 HG2 LYS 20 26.493 17.158 13.109 156 HG3 LYS 20 HG3 LYS 20 25.910 18.748 12.606 157 HD2 LYS 20 HD2 LYS 20 28.244 18.579 12.171 158 HD3 LYS 20 HD3 LYS 20 27.904 19.823 13.395 159 HE2 LYS 20 HE2 LYS 20 28.773 18.474 15.168 160 HE3 LYS 20 HE3 LYS 20 28.737 17.008 14.181 161 HZ1 LYS 20 HZ1 LYS 20 30.984 18.000 14.465 162 HZ2 LYS 20 HZ2 LYS 20 30.540 17.810 12.893 163 HZ3 LYS 20 HZ3 LYS 20 30.531 19.298 13.597 164 H CYS 21 H CYS 21 23.979 15.880 15.647 165 HA CYS 21 HA CYS 21 22.662 16.523 18.151 166 HB2 CYS 21 HB2 CYS 21 22.186 14.517 16.818 167 HB3 CYS 21 HB3 CYS 21 23.833 13.959 17.064 168 H ILE 22 H ILE 22 23.408 16.477 20.243 169 HA ILE 22 HA ILE 22 26.272 15.768 20.750 170 HB ILE 22 HB ILE 22 26.221 17.372 22.644 171 HG12 ILE 22 HG12 ILE 22 23.864 18.730 21.313 172 HG13 ILE 22 HG13 ILE 22 23.603 17.522 22.576 173 HG21 ILE 22 HG21 ILE 22 27.345 17.803 20.496 174 HG22 ILE 22 HG22 ILE 22 25.890 18.627 19.916 175 HG23 ILE 22 HG23 ILE 22 26.798 19.270 21.307 176 HD11 ILE 22 HD11 ILE 22 24.912 18.819 24.188 177 HD12 ILE 22 HD12 ILE 22 25.238 20.040 22.944 178 HD13 ILE 22 HD13 ILE 22 23.585 19.789 23.501 179 H GLY 23 H GLY 23 23.494 14.337 21.062 180 HA2 GLY 23 HA2 GLY 23 24.020 12.224 22.492 181 HA3 GLY 23 HA3 GLY 23 23.802 13.339 23.855 182 H GLU 24 H GLU 24 21.711 14.762 23.550 183 HA GLU 24 HA GLU 24 19.420 13.211 22.424 184 HB2 GLU 24 HB2 GLU 24 19.334 14.420 25.195 185 HB3 GLU 24 HB3 GLU 24 18.171 13.342 24.424 186 HG2 GLU 24 HG2 GLU 24 19.828 11.495 24.530 187 HG3 GLU 24 HG3 GLU 24 20.969 12.567 25.358 188 H GLU 25 H GLU 25 20.985 16.142 22.516 189 HA GLU 25 HA GLU 25 18.561 17.529 21.474 190 HB2 GLU 25 HB2 GLU 25 19.393 18.480 23.688 191 HB3 GLU 25 HB3 GLU 25 20.922 18.811 22.904 192 HG2 GLU 25 HG2 GLU 25 19.684 20.844 22.944 193 HG3 GLU 25 HG3 GLU 25 19.741 20.305 21.271 194 H CYS 26 H CYS 26 18.780 18.251 19.399 195 HA CYS 26 HA CYS 26 21.470 18.182 18.133 196 HB2 CYS 26 HB2 CYS 26 19.577 17.133 16.992 197 HB3 CYS 26 HB3 CYS 26 18.760 18.703 16.896 198 H LYS 27 H LYS 27 22.726 19.884 18.108 199 HA LYS 27 HA LYS 27 21.607 22.573 18.831 200 HB2 LYS 27 HB2 LYS 27 23.614 23.121 19.820 201 HB3 LYS 27 HB3 LYS 27 23.236 21.505 20.397 202 HG2 LYS 27 HG2 LYS 27 24.845 20.533 18.769 203 HG3 LYS 27 HG3 LYS 27 25.236 22.150 18.164 204 HD2 LYS 27 HD2 LYS 27 25.597 21.237 21.023 205 HD3 LYS 27 HD3 LYS 27 26.888 21.291 19.797 206 HE2 LYS 27 HE2 LYS 27 26.484 23.770 19.570 207 HE3 LYS 27 HE3 LYS 27 25.306 23.647 20.891 208 HZ1 LYS 27 HZ1 LYS 27 28.218 23.228 21.036 209 HZ2 LYS 27 HZ2 LYS 27 27.316 24.289 21.859 210 HZ3 LYS 27 HZ3 LYS 27 27.209 22.718 22.259 211 H CYS 28 H CYS 28 22.826 24.452 17.958 212 HA CYS 28 HA CYS 28 23.439 24.006 15.084 213 HB2 CYS 28 HB2 CYS 28 22.698 26.571 16.469 214 HB3 CYS 28 HB3 CYS 28 22.983 26.330 14.750 215 H VAL 29 H VAL 29 25.208 24.962 14.073 216 HA VAL 29 HA VAL 29 27.365 26.145 15.697 217 HB VAL 29 HB VAL 29 29.024 24.483 14.891 218 HG11 VAL 29 HG11 VAL 29 26.917 23.189 16.640 219 HG12 VAL 29 HG12 VAL 29 28.650 22.842 16.592 220 HG13 VAL 29 HG13 VAL 29 28.086 24.408 17.201 221 HG21 VAL 29 HG21 VAL 29 27.857 23.446 13.026 222 HG22 VAL 29 HG22 VAL 29 28.330 22.238 14.221 223 HG23 VAL 29 HG23 VAL 29 26.639 22.763 14.133 224 HA PRO 30 HA PRO 30 28.451 27.875 11.658 225 HB2 PRO 30 HB2 PRO 30 30.847 28.989 12.170 226 HB3 PRO 30 HB3 PRO 30 29.349 29.568 12.951 227 HG2 PRO 30 HG2 PRO 30 31.411 27.651 14.096 228 HG3 PRO 30 HG3 PRO 30 30.719 29.108 14.870 229 HD2 PRO 30 HD2 PRO 30 29.758 26.549 15.263 230 HD3 PRO 30 HD3 PRO 30 28.714 28.002 15.363 231 H HIS 31 H HIS 31 28.333 25.571 11.247 232 HA HIS 31 HA HIS 31 28.956 23.680 10.146 233 HB2 HIS 31 HB2 HIS 31 30.682 25.694 8.744 234 HB3 HIS 31 HB3 HIS 31 30.083 24.181 8.049 235 HD2 HIS 31 HD2 HIS 31 27.573 24.159 7.199 236 HE1 HIS 31 HE1 HIS 31 26.513 28.133 8.264 237 HE2 HIS 31 HE2 HIS 31 25.779 26.105 6.942 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 13.418 12.382 25.630 2 H2 ALA 1 H2 ALA 1 12.018 12.518 24.784 3 H3 ALA 1 H3 ALA 1 12.393 13.631 25.938 4 HA ALA 1 HA ALA 1 12.712 14.474 23.685 5 HB1 ALA 1 HB1 ALA 1 15.025 15.341 24.040 6 HB2 ALA 1 HB2 ALA 1 14.034 15.498 25.494 7 HB3 ALA 1 HB3 ALA 1 15.241 14.197 25.380 8 H PHE 2 H PHE 2 13.445 14.142 21.649 9 HA PHE 2 HA PHE 2 15.420 11.955 21.133 10 HB2 PHE 2 HB2 PHE 2 13.061 12.730 19.392 11 HB3 PHE 2 HB3 PHE 2 14.237 11.477 19.056 12 HD1 PHE 2 HD1 PHE 2 14.430 9.915 21.537 13 HD2 PHE 2 HD2 PHE 2 10.981 11.673 19.640 14 HE1 PHE 2 HE1 PHE 2 12.967 8.237 22.629 15 HE2 PHE 2 HE2 PHE 2 9.523 9.993 20.733 16 HZ PHE 2 HZ PHE 2 10.511 8.276 22.230 17 H CYS 3 H CYS 3 17.015 12.385 19.670 18 HA CYS 3 HA CYS 3 17.533 15.225 19.079 19 HB2 CYS 3 HB2 CYS 3 19.128 13.474 20.138 20 HB3 CYS 3 HB3 CYS 3 19.281 12.800 18.528 21 H ASN 4 H ASN 4 16.912 16.095 17.055 22 HA ASN 4 HA ASN 4 16.686 14.231 14.768 23 HB2 ASN 4 HB2 ASN 4 15.094 16.351 15.474 24 HB3 ASN 4 HB3 ASN 4 16.148 17.134 14.311 25 HD21 ASN 4 HD21 ASN 4 13.356 15.335 14.616 26 HD22 ASN 4 HD22 ASN 4 13.335 14.573 13.027 27 H LEU 5 H LEU 5 17.575 14.923 12.687 28 HA LEU 5 HA LEU 5 20.015 16.595 12.794 29 HB2 LEU 5 HB2 LEU 5 20.697 14.203 13.018 30 HB3 LEU 5 HB3 LEU 5 19.948 13.846 11.479 31 HG LEU 5 HG LEU 5 22.355 14.022 11.347 32 HD11 LEU 5 HD11 LEU 5 21.240 16.391 9.812 33 HD12 LEU 5 HD12 LEU 5 22.635 15.386 9.419 34 HD13 LEU 5 HD13 LEU 5 21.016 14.681 9.343 35 HD21 LEU 5 HD21 LEU 5 22.710 15.705 13.143 36 HD22 LEU 5 HD22 LEU 5 23.594 16.079 11.653 37 HD23 LEU 5 HD23 LEU 5 22.119 16.977 12.043 38 H ARG 6 H ARG 6 18.056 14.625 10.487 39 HA ARG 6 HA ARG 6 18.385 16.397 8.292 40 HB2 ARG 6 HB2 ARG 6 16.248 14.317 8.926 41 HB3 ARG 6 HB3 ARG 6 16.413 15.122 7.358 42 HG2 ARG 6 HG2 ARG 6 18.677 14.242 7.069 43 HG3 ARG 6 HG3 ARG 6 18.664 13.524 8.682 44 HD2 ARG 6 HD2 ARG 6 18.214 11.771 7.078 45 HD3 ARG 6 HD3 ARG 6 16.771 12.071 8.037 46 HE ARG 6 HE ARG 6 15.658 12.921 6.217 47 HH11 ARG 6 HH11 ARG 6 19.039 12.538 5.264 48 HH12 ARG 6 HH12 ARG 6 18.656 12.645 3.557 49 HH21 ARG 6 HH21 ARG 6 15.295 13.106 4.002 50 HH22 ARG 6 HH22 ARG 6 16.613 12.776 2.878 51 H ARG 7 H ARG 7 15.736 16.319 10.672 52 HA ARG 7 HA ARG 7 14.600 18.853 9.583 53 HB2 ARG 7 HB2 ARG 7 13.800 16.994 11.827 54 HB3 ARG 7 HB3 ARG 7 13.092 18.572 11.668 55 HG2 ARG 7 HG2 ARG 7 12.254 18.002 9.407 56 HG3 ARG 7 HG3 ARG 7 13.081 16.430 9.480 57 HD2 ARG 7 HD2 ARG 7 11.743 15.808 11.456 58 HD3 ARG 7 HD3 ARG 7 10.886 17.360 11.387 59 HE ARG 7 HE ARG 7 10.571 16.188 8.848 60 HH11 ARG 7 HH11 ARG 7 9.851 15.070 12.102 61 HH12 ARG 7 HH12 ARG 7 8.594 13.994 11.524 62 HH21 ARG 7 HH21 ARG 7 8.705 15.122 8.269 63 HH22 ARG 7 HH22 ARG 7 7.851 14.172 9.466 64 H CYS 8 H CYS 8 16.911 18.001 12.050 65 HA CYS 8 HA CYS 8 16.650 20.409 13.644 66 HB2 CYS 8 HB2 CYS 8 17.894 18.566 14.589 67 HB3 CYS 8 HB3 CYS 8 19.001 18.544 13.202 68 H GLU 9 H GLU 9 18.668 19.574 10.775 69 HA GLU 9 HA GLU 9 20.124 21.908 10.374 70 HB2 GLU 9 HB2 GLU 9 18.681 20.082 8.415 71 HB3 GLU 9 HB3 GLU 9 19.780 21.350 7.886 72 HG2 GLU 9 HG2 GLU 9 20.761 19.294 9.885 73 HG3 GLU 9 HG3 GLU 9 20.618 18.876 8.181 74 H LEU 10 H LEU 10 16.714 21.395 9.462 75 HA LEU 10 HA LEU 10 16.278 23.851 8.090 76 HB2 LEU 10 HB2 LEU 10 14.213 22.313 9.702 77 HB3 LEU 10 HB3 LEU 10 13.949 23.332 8.298 78 HG LEU 10 HG LEU 10 15.338 20.626 8.281 79 HD11 LEU 10 HD11 LEU 10 13.337 19.868 7.093 80 HD12 LEU 10 HD12 LEU 10 12.897 20.527 8.681 81 HD13 LEU 10 HD13 LEU 10 12.620 21.490 7.215 82 HD21 LEU 10 HD21 LEU 10 16.238 22.060 6.493 83 HD22 LEU 10 HD22 LEU 10 15.197 20.808 5.815 84 HD23 LEU 10 HD23 LEU 10 14.591 22.473 5.969 85 H SER 11 H SER 11 16.339 23.155 11.552 86 HA SER 11 HA SER 11 15.222 25.740 12.384 87 HB2 SER 11 HB2 SER 11 15.048 23.730 13.814 88 HB3 SER 11 HB3 SER 11 16.819 23.667 13.941 89 HG SER 11 HG SER 11 15.940 24.657 15.694 90 H CYS 12 H CYS 12 18.487 24.255 12.247 91 HA CYS 12 HA CYS 12 19.928 26.527 13.138 92 HB2 CYS 12 HB2 CYS 12 20.719 24.228 11.294 93 HB3 CYS 12 HB3 CYS 12 21.852 25.336 12.040 94 H ARG 13 H ARG 13 18.809 25.730 9.875 95 HA ARG 13 HA ARG 13 20.179 27.779 8.459 96 HB2 ARG 13 HB2 ARG 13 17.638 26.201 7.956 97 HB3 ARG 13 HB3 ARG 13 18.225 27.413 6.798 98 HG2 ARG 13 HG2 ARG 13 20.352 26.312 6.572 99 HG3 ARG 13 HG3 ARG 13 20.038 25.236 7.914 100 HD2 ARG 13 HD2 ARG 13 18.202 24.169 6.568 101 HD3 ARG 13 HD3 ARG 13 18.752 25.126 5.172 102 HE ARG 13 HE ARG 13 21.030 23.899 6.321 103 HH11 ARG 13 HH11 ARG 13 18.151 22.602 4.779 104 HH12 ARG 13 HH12 ARG 13 18.925 21.016 4.627 105 HH21 ARG 13 HH21 ARG 13 21.956 22.024 5.817 106 HH22 ARG 13 HH22 ARG 13 21.004 20.734 5.117 107 H SER 14 H SER 14 17.549 28.231 10.689 108 HA SER 14 HA SER 14 16.560 30.750 9.795 109 HB2 SER 14 HB2 SER 14 15.922 31.149 12.106 110 HB3 SER 14 HB3 SER 14 15.559 29.477 11.657 111 HG SER 14 HG SER 14 17.204 28.753 12.865 112 H LEU 15 H LEU 15 19.669 29.987 11.265 113 HA LEU 15 HA LEU 15 20.506 32.856 11.060 114 HB2 LEU 15 HB2 LEU 15 21.367 30.730 13.048 115 HB3 LEU 15 HB3 LEU 15 22.062 32.351 12.943 116 HG LEU 15 HG LEU 15 19.157 31.760 13.623 117 HD11 LEU 15 HD11 LEU 15 20.663 30.888 15.348 118 HD12 LEU 15 HD12 LEU 15 21.527 32.444 15.410 119 HD13 LEU 15 HD13 LEU 15 19.836 32.342 15.927 120 HD21 LEU 15 HD21 LEU 15 19.131 34.097 14.438 121 HD22 LEU 15 HD22 LEU 15 20.795 34.320 13.867 122 HD23 LEU 15 HD23 LEU 15 19.482 34.041 12.704 123 H GLY 16 H GLY 16 20.596 30.445 9.180 124 HA2 GLY 16 HA2 GLY 16 22.020 29.574 7.583 125 HA3 GLY 16 HA3 GLY 16 23.109 30.924 7.934 126 H LEU 17 H LEU 17 22.286 28.543 10.436 127 HA LEU 17 HA LEU 17 25.123 27.779 10.693 128 HB2 LEU 17 HB2 LEU 17 22.742 27.031 12.381 129 HB3 LEU 17 HB3 LEU 17 24.417 26.782 12.821 130 HG LEU 17 HG LEU 17 23.058 29.429 12.402 131 HD11 LEU 17 HD11 LEU 17 23.724 28.186 15.069 132 HD12 LEU 17 HD12 LEU 17 22.970 29.753 14.784 133 HD13 LEU 17 HD13 LEU 17 22.084 28.283 14.353 134 HD21 LEU 17 HD21 LEU 17 25.006 30.356 13.641 135 HD22 LEU 17 HD22 LEU 17 25.675 28.708 13.740 136 HD23 LEU 17 HD23 LEU 17 25.517 29.537 12.157 137 H LEU 18 H LEU 18 25.569 25.539 11.297 138 HA LEU 18 HA LEU 18 24.305 23.446 9.579 139 HB2 LEU 18 HB2 LEU 18 26.685 23.777 9.182 140 HB3 LEU 18 HB3 LEU 18 27.013 23.802 10.909 141 HG LEU 18 HG LEU 18 26.344 21.381 11.039 142 HD11 LEU 18 HD11 LEU 18 24.978 21.235 8.978 143 HD12 LEU 18 HD12 LEU 18 26.407 21.602 7.995 144 HD13 LEU 18 HD13 LEU 18 26.324 20.088 8.921 145 HD21 LEU 18 HD21 LEU 18 28.695 22.049 10.928 146 HD22 LEU 18 HD22 LEU 18 28.436 20.552 10.015 147 HD23 LEU 18 HD23 LEU 18 28.619 22.096 9.154 148 H GLY 19 H GLY 19 23.327 21.680 10.635 149 HA2 GLY 19 HA2 GLY 19 23.023 21.838 13.604 150 HA3 GLY 19 HA3 GLY 19 21.997 20.952 12.483 151 H LYS 20 H LYS 20 23.786 20.366 14.989 152 HA LYS 20 HA LYS 20 24.604 17.647 14.101 153 HB2 LYS 20 HB2 LYS 20 26.324 19.696 15.565 154 HB3 LYS 20 HB3 LYS 20 26.649 17.975 15.669 155 HG2 LYS 20 HG2 LYS 20 26.631 19.556 13.054 156 HG3 LYS 20 HG3 LYS 20 28.063 19.129 14.001 157 HD2 LYS 20 HD2 LYS 20 27.477 16.716 13.785 158 HD3 LYS 20 HD3 LYS 20 26.137 17.142 12.706 159 HE2 LYS 20 HE2 LYS 20 27.561 17.913 11.002 160 HE3 LYS 20 HE3 LYS 20 28.954 18.060 12.106 161 HZ1 LYS 20 HZ1 LYS 20 29.051 16.072 10.677 162 HZ2 LYS 20 HZ2 LYS 20 29.096 15.732 12.281 163 HZ3 LYS 20 HZ3 LYS 20 27.702 15.467 11.417 164 H CYS 21 H CYS 21 24.319 16.040 15.560 165 HA CYS 21 HA CYS 21 22.524 16.620 17.795 166 HB2 CYS 21 HB2 CYS 21 22.139 14.691 16.315 167 HB3 CYS 21 HB3 CYS 21 23.693 13.999 16.818 168 H ILE 22 H ILE 22 23.015 16.732 19.952 169 HA ILE 22 HA ILE 22 25.802 16.292 20.833 170 HB ILE 22 HB ILE 22 23.376 17.333 22.303 171 HG12 ILE 22 HG12 ILE 22 24.075 18.913 20.622 172 HG13 ILE 22 HG13 ILE 22 24.468 19.514 22.219 173 HG21 ILE 22 HG21 ILE 22 25.001 18.068 24.047 174 HG22 ILE 22 HG22 ILE 22 24.820 16.317 23.941 175 HG23 ILE 22 HG23 ILE 22 26.256 17.098 23.243 176 HD11 ILE 22 HD11 ILE 22 26.293 20.034 20.712 177 HD12 ILE 22 HD12 ILE 22 26.873 18.821 21.855 178 HD13 ILE 22 HD13 ILE 22 26.430 18.350 20.194 179 H GLY 23 H GLY 23 22.633 14.809 21.284 180 HA2 GLY 23 HA2 GLY 23 23.538 12.183 21.537 181 HA3 GLY 23 HA3 GLY 23 23.457 12.794 23.193 182 H GLU 24 H GLU 24 21.281 14.289 23.332 183 HA GLU 24 HA GLU 24 18.932 12.708 22.336 184 HB2 GLU 24 HB2 GLU 24 17.811 12.931 24.424 185 HB3 GLU 24 HB3 GLU 24 19.391 12.201 24.709 186 HG2 GLU 24 HG2 GLU 24 20.253 14.431 25.455 187 HG3 GLU 24 HG3 GLU 24 18.638 15.113 25.231 188 H GLU 25 H GLU 25 20.463 15.665 22.247 189 HA GLU 25 HA GLU 25 18.130 16.953 20.986 190 HB2 GLU 25 HB2 GLU 25 17.992 17.628 23.324 191 HB3 GLU 25 HB3 GLU 25 19.699 18.078 23.334 192 HG2 GLU 25 HG2 GLU 25 19.293 19.950 21.853 193 HG3 GLU 25 HG3 GLU 25 17.645 19.392 21.532 194 H CYS 26 H CYS 26 18.673 18.369 19.354 195 HA CYS 26 HA CYS 26 21.458 18.293 18.433 196 HB2 CYS 26 HB2 CYS 26 19.534 17.666 17.024 197 HB3 CYS 26 HB3 CYS 26 18.929 19.312 17.144 198 H LYS 27 H LYS 27 22.758 20.011 17.892 199 HA LYS 27 HA LYS 27 22.181 22.699 19.006 200 HB2 LYS 27 HB2 LYS 27 23.564 21.436 20.568 201 HB3 LYS 27 HB3 LYS 27 24.572 20.843 19.244 202 HG2 LYS 27 HG2 LYS 27 25.840 22.453 20.398 203 HG3 LYS 27 HG3 LYS 27 25.402 23.144 18.845 204 HD2 LYS 27 HD2 LYS 27 23.468 24.345 20.128 205 HD3 LYS 27 HD3 LYS 27 24.303 23.806 21.610 206 HE2 LYS 27 HE2 LYS 27 26.424 24.755 20.554 207 HE3 LYS 27 HE3 LYS 27 25.392 25.465 19.307 208 HZ1 LYS 27 HZ1 LYS 27 24.303 26.798 21.043 209 HZ2 LYS 27 HZ2 LYS 27 25.145 26.026 22.225 210 HZ3 LYS 27 HZ3 LYS 27 25.941 27.000 21.197 211 H CYS 28 H CYS 28 22.587 24.311 17.616 212 HA CYS 28 HA CYS 28 23.652 23.744 14.960 213 HB2 CYS 28 HB2 CYS 28 22.760 26.332 16.242 214 HB3 CYS 28 HB3 CYS 28 23.086 26.084 14.519 215 H VAL 29 H VAL 29 25.360 25.000 13.931 216 HA VAL 29 HA VAL 29 27.397 26.281 15.619 217 HB VAL 29 HB VAL 29 29.241 24.896 14.775 218 HG11 VAL 29 HG11 VAL 29 27.243 23.178 16.273 219 HG12 VAL 29 HG12 VAL 29 29.021 23.043 16.272 220 HG13 VAL 29 HG13 VAL 29 28.243 24.455 17.011 221 HG21 VAL 29 HG21 VAL 29 28.805 22.614 13.894 222 HG22 VAL 29 HG22 VAL 29 27.088 23.009 13.732 223 HG23 VAL 29 HG23 VAL 29 28.305 23.885 12.775 224 HA PRO 30 HA PRO 30 27.573 28.569 11.881 225 HB2 PRO 30 HB2 PRO 30 29.404 30.462 12.455 226 HB3 PRO 30 HB3 PRO 30 27.988 30.138 13.499 227 HG2 PRO 30 HG2 PRO 30 30.791 29.047 13.870 228 HG3 PRO 30 HG3 PRO 30 29.796 29.965 15.062 229 HD2 PRO 30 HD2 PRO 30 29.869 27.208 14.970 230 HD3 PRO 30 HD3 PRO 30 28.430 28.144 15.470 231 H HIS 31 H HIS 31 29.283 26.115 11.757 232 HA HIS 31 HA HIS 31 31.626 26.778 10.155 233 HB2 HIS 31 HB2 HIS 31 30.360 24.054 10.512 234 HB3 HIS 31 HB3 HIS 31 31.999 24.409 9.968 235 HD2 HIS 31 HD2 HIS 31 30.859 22.811 12.749 236 HE1 HIS 31 HE1 HIS 31 33.166 25.823 14.682 237 HE2 HIS 31 HE2 HIS 31 32.041 23.569 14.996 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 17.464 8.638 24.173 2 H2 ALA 1 H2 ALA 1 16.724 8.266 22.758 3 H3 ALA 1 H3 ALA 1 15.900 9.095 23.904 4 HA ALA 1 HA ALA 1 17.487 10.934 23.717 5 HB1 ALA 1 HB1 ALA 1 19.372 9.652 22.804 6 HB2 ALA 1 HB2 ALA 1 18.462 9.317 21.320 7 HB3 ALA 1 HB3 ALA 1 18.942 10.983 21.715 8 H PHE 2 H PHE 2 16.018 12.420 23.305 9 HA PHE 2 HA PHE 2 14.007 12.053 21.182 10 HB2 PHE 2 HB2 PHE 2 14.267 14.164 23.345 11 HB3 PHE 2 HB3 PHE 2 12.902 13.933 22.258 12 HD1 PHE 2 HD1 PHE 2 11.414 11.939 22.464 13 HD2 PHE 2 HD2 PHE 2 14.597 12.677 25.284 14 HE1 PHE 2 HE1 PHE 2 10.442 10.262 24.007 15 HE2 PHE 2 HE2 PHE 2 13.646 10.972 26.805 16 HZ PHE 2 HZ PHE 2 11.551 9.762 26.177 17 H CYS 3 H CYS 3 16.561 12.445 20.128 18 HA CYS 3 HA CYS 3 16.943 15.271 19.444 19 HB2 CYS 3 HB2 CYS 3 18.660 13.339 20.111 20 HB3 CYS 3 HB3 CYS 3 18.635 13.026 18.376 21 H ASN 4 H ASN 4 17.565 15.894 17.167 22 HA ASN 4 HA ASN 4 16.359 14.291 14.979 23 HB2 ASN 4 HB2 ASN 4 16.079 17.296 15.480 24 HB3 ASN 4 HB3 ASN 4 15.845 16.555 13.910 25 HD21 ASN 4 HD21 ASN 4 12.690 15.191 14.646 26 HD22 ASN 4 HD22 ASN 4 14.088 15.043 13.590 27 H LEU 5 H LEU 5 17.336 14.825 12.889 28 HA LEU 5 HA LEU 5 19.916 16.299 12.970 29 HB2 LEU 5 HB2 LEU 5 20.538 13.998 13.289 30 HB3 LEU 5 HB3 LEU 5 19.549 13.483 11.923 31 HG LEU 5 HG LEU 5 21.011 14.685 10.357 32 HD11 LEU 5 HD11 LEU 5 22.671 15.390 12.816 33 HD12 LEU 5 HD12 LEU 5 23.201 15.585 11.135 34 HD13 LEU 5 HD13 LEU 5 21.846 16.542 11.734 35 HD21 LEU 5 HD21 LEU 5 22.971 13.221 10.605 36 HD22 LEU 5 HD22 LEU 5 22.533 12.906 12.294 37 HD23 LEU 5 HD23 LEU 5 21.476 12.331 10.994 38 H ARG 6 H ARG 6 17.831 14.516 10.612 39 HA ARG 6 HA ARG 6 18.380 16.277 8.432 40 HB2 ARG 6 HB2 ARG 6 17.471 13.944 8.350 41 HB3 ARG 6 HB3 ARG 6 15.896 14.566 8.877 42 HG2 ARG 6 HG2 ARG 6 15.878 16.041 6.825 43 HG3 ARG 6 HG3 ARG 6 17.394 15.285 6.311 44 HD2 ARG 6 HD2 ARG 6 14.746 13.849 6.791 45 HD3 ARG 6 HD3 ARG 6 15.372 14.340 5.224 46 HE ARG 6 HE ARG 6 16.588 12.265 7.016 47 HH11 ARG 6 HH11 ARG 6 16.055 13.428 3.713 48 HH12 ARG 6 HH12 ARG 6 16.900 12.045 3.025 49 HH21 ARG 6 HH21 ARG 6 17.345 10.361 5.927 50 HH22 ARG 6 HH22 ARG 6 17.190 10.337 4.194 51 H ARG 7 H ARG 7 15.661 16.315 10.734 52 HA ARG 7 HA ARG 7 14.506 18.853 9.891 53 HB2 ARG 7 HB2 ARG 7 13.195 17.307 11.166 54 HB3 ARG 7 HB3 ARG 7 14.408 17.155 12.402 55 HG2 ARG 7 HG2 ARG 7 12.515 18.368 13.259 56 HG3 ARG 7 HG3 ARG 7 13.970 19.349 13.292 57 HD2 ARG 7 HD2 ARG 7 12.133 20.724 12.643 58 HD3 ARG 7 HD3 ARG 7 13.189 20.541 11.232 59 HE ARG 7 HE ARG 7 11.183 18.516 11.095 60 HH11 ARG 7 HH11 ARG 7 11.179 22.012 11.093 61 HH12 ARG 7 HH12 ARG 7 9.672 22.081 10.202 62 HH21 ARG 7 HH21 ARG 7 9.468 18.638 9.844 63 HH22 ARG 7 HH22 ARG 7 8.831 20.203 9.317 64 H CYS 8 H CYS 8 16.878 17.980 12.363 65 HA CYS 8 HA CYS 8 17.144 20.486 13.637 66 HB2 CYS 8 HB2 CYS 8 18.064 18.335 14.502 67 HB3 CYS 8 HB3 CYS 8 19.273 18.366 13.217 68 H GLU 9 H GLU 9 18.951 19.349 10.718 69 HA GLU 9 HA GLU 9 20.489 21.739 10.313 70 HB2 GLU 9 HB2 GLU 9 19.347 19.703 8.350 71 HB3 GLU 9 HB3 GLU 9 20.508 20.970 7.909 72 HG2 GLU 9 HG2 GLU 9 22.207 20.010 9.317 73 HG3 GLU 9 HG3 GLU 9 21.103 18.856 10.014 74 H LEU 10 H LEU 10 17.096 21.107 9.395 75 HA LEU 10 HA LEU 10 16.860 23.542 7.805 76 HB2 LEU 10 HB2 LEU 10 14.672 21.871 9.088 77 HB3 LEU 10 HB3 LEU 10 14.470 23.098 7.845 78 HG LEU 10 HG LEU 10 15.925 20.441 7.507 79 HD11 LEU 10 HD11 LEU 10 13.462 20.273 7.685 80 HD12 LEU 10 HD12 LEU 10 13.292 21.479 6.387 81 HD13 LEU 10 HD13 LEU 10 14.020 19.897 6.051 82 HD21 LEU 10 HD21 LEU 10 16.955 22.111 6.028 83 HD22 LEU 10 HD22 LEU 10 15.934 21.031 5.079 84 HD23 LEU 10 HD23 LEU 10 15.348 22.660 5.486 85 H SER 11 H SER 11 16.179 22.644 11.188 86 HA SER 11 HA SER 11 15.116 25.162 12.047 87 HB2 SER 11 HB2 SER 11 16.695 23.117 13.652 88 HB3 SER 11 HB3 SER 11 15.625 24.374 14.291 89 HG SER 11 HG SER 11 14.584 22.396 14.183 90 H CYS 12 H CYS 12 18.486 24.123 11.581 91 HA CYS 12 HA CYS 12 19.545 26.488 12.900 92 HB2 CYS 12 HB2 CYS 12 20.784 24.254 11.298 93 HB3 CYS 12 HB3 CYS 12 21.700 25.595 11.993 94 H ARG 13 H ARG 13 18.409 26.009 9.689 95 HA ARG 13 HA ARG 13 19.742 28.074 8.257 96 HB2 ARG 13 HB2 ARG 13 16.746 27.477 8.252 97 HB3 ARG 13 HB3 ARG 13 17.633 28.394 7.043 98 HG2 ARG 13 HG2 ARG 13 19.029 26.352 6.558 99 HG3 ARG 13 HG3 ARG 13 17.956 25.432 7.613 100 HD2 ARG 13 HD2 ARG 13 17.243 26.901 5.056 101 HD3 ARG 13 HD3 ARG 13 17.303 25.154 5.275 102 HE ARG 13 HE ARG 13 15.384 25.913 7.106 103 HH11 ARG 13 HH11 ARG 13 15.623 26.919 3.739 104 HH12 ARG 13 HH12 ARG 13 13.938 26.584 3.459 105 HH21 ARG 13 HH21 ARG 13 13.128 25.959 6.651 106 HH22 ARG 13 HH22 ARG 13 12.639 26.147 4.991 107 H SER 14 H SER 14 17.609 28.379 10.984 108 HA SER 14 HA SER 14 16.639 30.914 11.095 109 HB2 SER 14 HB2 SER 14 16.960 30.740 13.513 110 HB3 SER 14 HB3 SER 14 16.445 29.213 12.846 111 HG SER 14 HG SER 14 18.150 28.818 14.220 112 H LEU 15 H LEU 15 20.050 30.042 11.596 113 HA LEU 15 HA LEU 15 20.889 32.908 11.512 114 HB2 LEU 15 HB2 LEU 15 21.830 30.650 13.309 115 HB3 LEU 15 HB3 LEU 15 22.574 32.247 13.270 116 HG LEU 15 HG LEU 15 19.656 31.792 14.034 117 HD11 LEU 15 HD11 LEU 15 21.045 30.576 15.604 118 HD12 LEU 15 HD12 LEU 15 22.105 31.985 15.799 119 HD13 LEU 15 HD13 LEU 15 20.422 32.047 16.371 120 HD21 LEU 15 HD21 LEU 15 20.235 34.105 13.320 121 HD22 LEU 15 HD22 LEU 15 19.855 34.006 15.052 122 HD23 LEU 15 HD23 LEU 15 21.544 34.131 14.519 123 H GLY 16 H GLY 16 20.785 30.681 9.469 124 HA2 GLY 16 HA2 GLY 16 22.012 30.055 7.628 125 HA3 GLY 16 HA3 GLY 16 23.288 31.165 8.130 126 H LEU 17 H LEU 17 22.361 28.622 10.364 127 HA LEU 17 HA LEU 17 25.124 27.552 10.229 128 HB2 LEU 17 HB2 LEU 17 22.939 27.090 12.275 129 HB3 LEU 17 HB3 LEU 17 24.622 26.647 12.462 130 HG LEU 17 HG LEU 17 23.556 29.449 12.216 131 HD11 LEU 17 HD11 LEU 17 23.885 29.766 14.588 132 HD12 LEU 17 HD12 LEU 17 22.729 28.464 14.305 133 HD13 LEU 17 HD13 LEU 17 24.417 28.095 14.779 134 HD21 LEU 17 HD21 LEU 17 26.211 28.320 13.164 135 HD22 LEU 17 HD22 LEU 17 25.955 29.197 11.622 136 HD23 LEU 17 HD23 LEU 17 25.789 30.053 13.162 137 H LEU 18 H LEU 18 25.406 25.303 10.822 138 HA LEU 18 HA LEU 18 23.546 23.426 9.436 139 HB2 LEU 18 HB2 LEU 18 26.480 23.453 9.952 140 HB3 LEU 18 HB3 LEU 18 25.714 21.924 10.361 141 HG LEU 18 HG LEU 18 25.421 23.294 7.652 142 HD11 LEU 18 HD11 LEU 18 26.961 21.555 6.850 143 HD12 LEU 18 HD12 LEU 18 27.742 22.534 8.093 144 HD13 LEU 18 HD13 LEU 18 27.137 20.920 8.503 145 HD21 LEU 18 HD21 LEU 18 24.615 20.997 6.980 146 HD22 LEU 18 HD22 LEU 18 24.629 20.522 8.680 147 HD23 LEU 18 HD23 LEU 18 23.521 21.790 8.092 148 H GLY 19 H GLY 19 23.069 21.403 10.662 149 HA2 GLY 19 HA2 GLY 19 22.695 21.934 13.593 150 HA3 GLY 19 HA3 GLY 19 21.509 21.102 12.597 151 H LYS 20 H LYS 20 23.132 20.344 15.022 152 HA LYS 20 HA LYS 20 23.976 17.624 14.141 153 HB2 LYS 20 HB2 LYS 20 25.571 19.544 15.907 154 HB3 LYS 20 HB3 LYS 20 25.922 17.825 15.765 155 HG2 LYS 20 HG2 LYS 20 26.028 19.784 13.438 156 HG3 LYS 20 HG3 LYS 20 27.413 19.297 14.418 157 HD2 LYS 20 HD2 LYS 20 27.207 16.979 13.700 158 HD3 LYS 20 HD3 LYS 20 25.694 17.323 12.855 159 HE2 LYS 20 HE2 LYS 20 27.380 17.206 11.208 160 HE3 LYS 20 HE3 LYS 20 26.869 18.891 11.346 161 HZ1 LYS 20 HZ1 LYS 20 29.369 17.722 12.477 162 HZ2 LYS 20 HZ2 LYS 20 29.252 18.773 11.215 163 HZ3 LYS 20 HZ3 LYS 20 28.908 19.276 12.709 164 H CYS 21 H CYS 21 23.872 16.048 15.766 165 HA CYS 21 HA CYS 21 22.123 16.748 18.094 166 HB2 CYS 21 HB2 CYS 21 21.482 14.771 16.663 167 HB3 CYS 21 HB3 CYS 21 22.998 14.002 17.164 168 H ILE 22 H ILE 22 23.239 17.353 19.882 169 HA ILE 22 HA ILE 22 25.899 16.076 20.453 170 HB ILE 22 HB ILE 22 25.247 19.019 20.659 171 HG12 ILE 22 HG12 ILE 22 27.148 17.508 18.807 172 HG13 ILE 22 HG13 ILE 22 25.663 18.333 18.334 173 HG21 ILE 22 HG21 ILE 22 27.575 19.294 21.437 174 HG22 ILE 22 HG22 ILE 22 26.699 18.237 22.528 175 HG23 ILE 22 HG23 ILE 22 27.823 17.537 21.345 176 HD11 ILE 22 HD11 ILE 22 27.492 19.715 17.688 177 HD12 ILE 22 HD12 ILE 22 26.678 20.514 19.046 178 HD13 ILE 22 HD13 ILE 22 28.219 19.656 19.296 179 H GLY 23 H GLY 23 25.503 14.856 22.120 180 HA2 GLY 23 HA2 GLY 23 24.833 14.129 24.211 181 HA3 GLY 23 HA3 GLY 23 24.657 15.815 24.697 182 H GLU 24 H GLU 24 23.011 13.580 22.410 183 HA GLU 24 HA GLU 24 20.864 13.037 22.016 184 HB2 GLU 24 HB2 GLU 24 20.459 13.309 25.010 185 HB3 GLU 24 HB3 GLU 24 19.538 12.321 23.873 186 HG2 GLU 24 HG2 GLU 24 21.768 11.166 23.311 187 HG3 GLU 24 HG3 GLU 24 22.420 11.928 24.773 188 H GLU 25 H GLU 25 21.460 16.018 22.072 189 HA GLU 25 HA GLU 25 18.695 16.815 21.516 190 HB2 GLU 25 HB2 GLU 25 18.777 18.843 22.814 191 HB3 GLU 25 HB3 GLU 25 19.082 17.453 23.865 192 HG2 GLU 25 HG2 GLU 25 21.592 17.988 23.540 193 HG3 GLU 25 HG3 GLU 25 21.079 19.496 22.810 194 H CYS 26 H CYS 26 18.426 18.370 19.997 195 HA CYS 26 HA CYS 26 20.522 18.651 18.002 196 HB2 CYS 26 HB2 CYS 26 18.275 18.415 17.242 197 HB3 CYS 26 HB3 CYS 26 17.693 19.649 18.350 198 H LYS 27 H LYS 27 21.862 20.356 17.625 199 HA LYS 27 HA LYS 27 21.144 23.059 18.364 200 HB2 LYS 27 HB2 LYS 27 23.085 23.628 19.716 201 HB3 LYS 27 HB3 LYS 27 22.008 22.493 20.492 202 HG2 LYS 27 HG2 LYS 27 23.654 20.625 19.689 203 HG3 LYS 27 HG3 LYS 27 24.731 21.968 19.281 204 HD2 LYS 27 HD2 LYS 27 25.353 21.276 21.497 205 HD3 LYS 27 HD3 LYS 27 24.432 22.780 21.692 206 HE2 LYS 27 HE2 LYS 27 22.366 21.377 22.117 207 HE3 LYS 27 HE3 LYS 27 23.364 19.927 22.059 208 HZ1 LYS 27 HZ1 LYS 27 22.896 20.817 24.318 209 HZ2 LYS 27 HZ2 LYS 27 24.497 20.670 24.054 210 HZ3 LYS 27 HZ3 LYS 27 23.798 22.150 24.000 211 H CYS 28 H CYS 28 22.701 24.678 17.571 212 HA CYS 28 HA CYS 28 23.409 23.785 14.861 213 HB2 CYS 28 HB2 CYS 28 23.080 26.534 16.046 214 HB3 CYS 28 HB3 CYS 28 23.322 26.171 14.333 215 H VAL 29 H VAL 29 25.253 24.750 13.688 216 HA VAL 29 HA VAL 29 27.655 25.141 15.389 217 HB VAL 29 HB VAL 29 28.852 23.317 14.311 218 HG11 VAL 29 HG11 VAL 29 27.978 21.481 15.568 219 HG12 VAL 29 HG12 VAL 29 27.777 22.959 16.517 220 HG13 VAL 29 HG13 VAL 29 26.378 22.233 15.687 221 HG21 VAL 29 HG21 VAL 29 26.170 22.430 13.175 222 HG22 VAL 29 HG22 VAL 29 27.556 23.030 12.228 223 HG23 VAL 29 HG23 VAL 29 27.681 21.518 13.118 224 HA PRO 30 HA PRO 30 29.110 27.392 11.783 225 HB2 PRO 30 HB2 PRO 30 31.576 28.098 12.587 226 HB3 PRO 30 HB3 PRO 30 30.100 28.658 13.420 227 HG2 PRO 30 HG2 PRO 30 31.907 26.355 14.211 228 HG3 PRO 30 HG3 PRO 30 31.303 27.686 15.248 229 HD2 PRO 30 HD2 PRO 30 30.098 25.197 15.056 230 HD3 PRO 30 HD3 PRO 30 29.209 26.691 15.450 231 H HIS 31 H HIS 31 28.805 25.096 10.994 232 HA HIS 31 HA HIS 31 29.303 23.469 9.497 233 HB2 HIS 31 HB2 HIS 31 31.334 25.512 8.561 234 HB3 HIS 31 HB3 HIS 31 30.617 24.224 7.601 235 HD2 HIS 31 HD2 HIS 31 28.040 24.492 6.858 236 HE1 HIS 31 HE1 HIS 31 27.342 28.359 8.497 237 HE2 HIS 31 HE2 HIS 31 26.353 26.515 7.037 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 12.880 16.216 24.661 2 H2 ALA 1 H2 ALA 1 12.819 14.763 25.415 3 H3 ALA 1 H3 ALA 1 11.455 15.693 25.267 4 HA ALA 1 HA ALA 1 11.383 13.880 23.689 5 HB1 ALA 1 HB1 ALA 1 10.262 15.957 23.044 6 HB2 ALA 1 HB2 ALA 1 11.793 16.641 22.449 7 HB3 ALA 1 HB3 ALA 1 11.056 15.260 21.626 8 H PHE 2 H PHE 2 12.273 12.933 21.729 9 HA PHE 2 HA PHE 2 15.143 12.565 21.865 10 HB2 PHE 2 HB2 PHE 2 13.104 11.644 19.817 11 HB3 PHE 2 HB3 PHE 2 14.724 11.011 20.006 12 HD1 PHE 2 HD1 PHE 2 14.492 11.018 23.251 13 HD2 PHE 2 HD2 PHE 2 12.123 9.425 20.012 14 HE1 PHE 2 HE1 PHE 2 13.539 9.337 24.771 15 HE2 PHE 2 HE2 PHE 2 11.220 7.696 21.540 16 HZ PHE 2 HZ PHE 2 11.892 7.669 23.935 17 H CYS 3 H CYS 3 16.628 12.724 20.138 18 HA CYS 3 HA CYS 3 17.008 15.376 19.280 19 HB2 CYS 3 HB2 CYS 3 18.617 13.425 19.828 20 HB3 CYS 3 HB3 CYS 3 18.398 12.916 18.164 21 H ASN 4 H ASN 4 17.602 16.094 17.012 22 HA ASN 4 HA ASN 4 16.375 14.614 14.787 23 HB2 ASN 4 HB2 ASN 4 15.846 17.535 15.508 24 HB3 ASN 4 HB3 ASN 4 15.740 16.953 13.849 25 HD21 ASN 4 HD21 ASN 4 12.857 14.961 14.335 26 HD22 ASN 4 HD22 ASN 4 14.345 15.080 13.417 27 H LEU 5 H LEU 5 17.292 15.265 12.734 28 HA LEU 5 HA LEU 5 19.882 16.713 12.889 29 HB2 LEU 5 HB2 LEU 5 20.323 14.232 13.012 30 HB3 LEU 5 HB3 LEU 5 19.572 14.067 11.433 31 HG LEU 5 HG LEU 5 21.323 15.769 10.577 32 HD11 LEU 5 HD11 LEU 5 23.425 15.842 11.905 33 HD12 LEU 5 HD12 LEU 5 22.094 16.626 12.766 34 HD13 LEU 5 HD13 LEU 5 22.618 14.990 13.233 35 HD21 LEU 5 HD21 LEU 5 22.275 13.073 11.624 36 HD22 LEU 5 HD22 LEU 5 21.419 13.350 10.091 37 HD23 LEU 5 HD23 LEU 5 23.038 14.030 10.337 38 H ARG 6 H ARG 6 17.912 15.041 10.363 39 HA ARG 6 HA ARG 6 18.311 17.078 8.398 40 HB2 ARG 6 HB2 ARG 6 16.369 14.793 8.727 41 HB3 ARG 6 HB3 ARG 6 16.027 16.019 7.521 42 HG2 ARG 6 HG2 ARG 6 17.201 14.131 6.560 43 HG3 ARG 6 HG3 ARG 6 18.075 15.639 6.347 44 HD2 ARG 6 HD2 ARG 6 18.840 13.849 8.660 45 HD3 ARG 6 HD3 ARG 6 19.256 13.361 7.022 46 HE ARG 6 HE ARG 6 20.060 16.120 7.868 47 HH11 ARG 6 HH11 ARG 6 21.227 12.841 7.053 48 HH12 ARG 6 HH12 ARG 6 22.773 13.541 6.616 49 HH21 ARG 6 HH21 ARG 6 22.130 16.709 7.525 50 HH22 ARG 6 HH22 ARG 6 23.276 15.508 6.928 51 H ARG 7 H ARG 7 15.597 16.773 10.718 52 HA ARG 7 HA ARG 7 14.355 19.301 9.862 53 HB2 ARG 7 HB2 ARG 7 14.036 17.446 12.240 54 HB3 ARG 7 HB3 ARG 7 13.320 19.056 12.262 55 HG2 ARG 7 HG2 ARG 7 11.984 18.588 10.284 56 HG3 ARG 7 HG3 ARG 7 12.784 17.032 10.057 57 HD2 ARG 7 HD2 ARG 7 10.587 16.714 11.107 58 HD3 ARG 7 HD3 ARG 7 11.899 16.210 12.183 59 HE ARG 7 HE ARG 7 10.946 18.977 12.560 60 HH11 ARG 7 HH11 ARG 7 10.490 15.618 13.726 61 HH12 ARG 7 HH12 ARG 7 9.720 16.253 15.183 62 HH21 ARG 7 HH21 ARG 7 10.204 19.508 14.627 63 HH22 ARG 7 HH22 ARG 7 9.557 18.212 15.628 64 H CYS 8 H CYS 8 16.711 18.426 12.386 65 HA CYS 8 HA CYS 8 16.699 20.957 13.718 66 HB2 CYS 8 HB2 CYS 8 17.764 18.888 14.667 67 HB3 CYS 8 HB3 CYS 8 19.006 18.999 13.413 68 H GLU 9 H GLU 9 18.710 19.799 10.967 69 HA GLU 9 HA GLU 9 20.265 22.097 10.510 70 HB2 GLU 9 HB2 GLU 9 19.115 19.997 8.664 71 HB3 GLU 9 HB3 GLU 9 20.254 21.221 8.096 72 HG2 GLU 9 HG2 GLU 9 22.005 20.450 9.504 73 HG3 GLU 9 HG3 GLU 9 20.943 19.403 10.430 74 H LEU 10 H LEU 10 16.859 21.581 9.517 75 HA LEU 10 HA LEU 10 16.778 23.877 7.720 76 HB2 LEU 10 HB2 LEU 10 14.543 22.349 9.112 77 HB3 LEU 10 HB3 LEU 10 14.314 23.545 7.844 78 HG LEU 10 HG LEU 10 15.774 20.893 7.523 79 HD11 LEU 10 HD11 LEU 10 13.032 21.783 6.543 80 HD12 LEU 10 HD12 LEU 10 13.810 20.216 6.216 81 HD13 LEU 10 HD13 LEU 10 13.340 20.642 7.869 82 HD21 LEU 10 HD21 LEU 10 15.605 21.389 5.080 83 HD22 LEU 10 HD22 LEU 10 14.996 23.013 5.476 84 HD23 LEU 10 HD23 LEU 10 16.649 22.532 5.926 85 H SER 11 H SER 11 15.741 23.321 11.103 86 HA SER 11 HA SER 11 14.965 26.053 11.644 87 HB2 SER 11 HB2 SER 11 15.888 23.758 13.414 88 HB3 SER 11 HB3 SER 11 15.491 25.359 14.057 89 HG SER 11 HG SER 11 13.720 23.772 12.472 90 H CYS 12 H CYS 12 18.143 24.382 11.898 91 HA CYS 12 HA CYS 12 19.588 26.675 12.821 92 HB2 CYS 12 HB2 CYS 12 20.467 24.240 11.234 93 HB3 CYS 12 HB3 CYS 12 21.556 25.384 11.965 94 H ARG 13 H ARG 13 18.661 25.713 9.483 95 HA ARG 13 HA ARG 13 20.377 27.485 8.074 96 HB2 ARG 13 HB2 ARG 13 18.875 25.545 7.225 97 HB3 ARG 13 HB3 ARG 13 17.573 26.734 7.187 98 HG2 ARG 13 HG2 ARG 13 18.985 28.128 5.614 99 HG3 ARG 13 HG3 ARG 13 20.237 26.877 5.693 100 HD2 ARG 13 HD2 ARG 13 18.971 26.515 3.677 101 HD3 ARG 13 HD3 ARG 13 18.583 25.213 4.803 102 HE ARG 13 HE ARG 13 16.763 27.544 4.871 103 HH11 ARG 13 HH11 ARG 13 17.182 24.440 3.227 104 HH12 ARG 13 HH12 ARG 13 15.435 24.243 3.139 105 HH21 ARG 13 HH21 ARG 13 14.691 27.317 4.302 106 HH22 ARG 13 HH22 ARG 13 14.106 25.767 3.711 107 H SER 14 H SER 14 17.386 28.196 9.831 108 HA SER 14 HA SER 14 16.852 30.765 8.727 109 HB2 SER 14 HB2 SER 14 16.401 29.846 11.583 110 HB3 SER 14 HB3 SER 14 15.585 31.188 10.759 111 HG SER 14 HG SER 14 14.781 29.623 9.246 112 H LEU 15 H LEU 15 19.573 29.841 10.721 113 HA LEU 15 HA LEU 15 20.338 32.723 10.986 114 HB2 LEU 15 HB2 LEU 15 20.972 30.363 12.779 115 HB3 LEU 15 HB3 LEU 15 21.645 31.980 12.986 116 HG LEU 15 HG LEU 15 18.678 31.278 13.175 117 HD11 LEU 15 HD11 LEU 15 20.724 31.761 15.383 118 HD12 LEU 15 HD12 LEU 15 18.978 31.518 15.606 119 HD13 LEU 15 HD13 LEU 15 19.970 30.205 14.971 120 HD21 LEU 15 HD21 LEU 15 20.194 33.801 13.990 121 HD22 LEU 15 HD22 LEU 15 19.073 33.659 12.618 122 HD23 LEU 15 HD23 LEU 15 18.469 33.484 14.268 123 H GLY 16 H GLY 16 20.789 30.338 8.940 124 HA2 GLY 16 HA2 GLY 16 22.432 29.610 7.538 125 HA3 GLY 16 HA3 GLY 16 23.435 30.966 8.058 126 H LEU 17 H LEU 17 22.193 28.270 10.081 127 HA LEU 17 HA LEU 17 25.015 27.512 10.730 128 HB2 LEU 17 HB2 LEU 17 22.547 26.998 12.371 129 HB3 LEU 17 HB3 LEU 17 24.192 26.775 12.886 130 HG LEU 17 HG LEU 17 22.899 29.410 12.222 131 HD11 LEU 17 HD11 LEU 17 23.403 28.282 14.989 132 HD12 LEU 17 HD12 LEU 17 22.708 29.857 14.600 133 HD13 LEU 17 HD13 LEU 17 21.807 28.392 14.195 134 HD21 LEU 17 HD21 LEU 17 24.792 30.392 13.447 135 HD22 LEU 17 HD22 LEU 17 25.402 28.748 13.782 136 HD23 LEU 17 HD23 LEU 17 25.383 29.394 12.107 137 H LEU 18 H LEU 18 25.385 25.383 11.335 138 HA LEU 18 HA LEU 18 24.042 23.237 9.761 139 HB2 LEU 18 HB2 LEU 18 26.463 23.452 9.476 140 HB3 LEU 18 HB3 LEU 18 26.708 23.512 11.212 141 HG LEU 18 HG LEU 18 25.960 21.157 11.407 142 HD11 LEU 18 HD11 LEU 18 24.534 20.941 9.401 143 HD12 LEU 18 HD12 LEU 18 25.925 21.294 8.357 144 HD13 LEU 18 HD13 LEU 18 25.868 19.792 9.298 145 HD21 LEU 18 HD21 LEU 18 28.225 21.650 9.427 146 HD22 LEU 18 HD22 LEU 18 28.349 21.695 11.201 147 HD23 LEU 18 HD23 LEU 18 27.984 20.172 10.377 148 H GLY 19 H GLY 19 23.257 21.357 10.989 149 HA2 GLY 19 HA2 GLY 19 22.971 21.753 13.955 150 HA3 GLY 19 HA3 GLY 19 21.681 21.097 12.952 151 H LYS 20 H LYS 20 23.800 20.135 15.159 152 HA LYS 20 HA LYS 20 24.161 17.390 14.027 153 HB2 LYS 20 HB2 LYS 20 26.235 19.094 15.400 154 HB3 LYS 20 HB3 LYS 20 26.334 17.329 15.292 155 HG2 LYS 20 HG2 LYS 20 26.189 17.425 12.827 156 HG3 LYS 20 HG3 LYS 20 26.018 19.184 12.887 157 HD2 LYS 20 HD2 LYS 20 28.255 18.668 12.321 158 HD3 LYS 20 HD3 LYS 20 28.181 19.409 13.929 159 HE2 LYS 20 HE2 LYS 20 28.454 17.152 14.964 160 HE3 LYS 20 HE3 LYS 20 28.495 16.422 13.352 161 HZ1 LYS 20 HZ1 LYS 20 30.729 16.754 14.220 162 HZ2 LYS 20 HZ2 LYS 20 30.507 17.729 12.897 163 HZ3 LYS 20 HZ3 LYS 20 30.471 18.399 14.360 164 H CYS 21 H CYS 21 24.092 15.691 15.545 165 HA CYS 21 HA CYS 21 22.578 16.352 18.009 166 HB2 CYS 21 HB2 CYS 21 21.849 14.529 16.366 167 HB3 CYS 21 HB3 CYS 21 23.191 13.575 17.015 168 H ILE 22 H ILE 22 23.382 16.232 20.032 169 HA ILE 22 HA ILE 22 26.229 15.349 20.415 170 HB ILE 22 HB ILE 22 26.595 17.402 21.704 171 HG12 ILE 22 HG12 ILE 22 23.977 18.511 20.621 172 HG13 ILE 22 HG13 ILE 22 24.070 17.746 22.205 173 HG21 ILE 22 HG21 ILE 22 25.674 18.045 18.879 174 HG22 ILE 22 HG22 ILE 22 26.864 18.925 19.851 175 HG23 ILE 22 HG23 ILE 22 27.222 17.283 19.316 176 HD11 ILE 22 HD11 ILE 22 24.274 20.113 22.494 177 HD12 ILE 22 HD12 ILE 22 25.832 19.367 22.895 178 HD13 ILE 22 HD13 ILE 22 25.621 20.207 21.338 179 H GLY 23 H GLY 23 23.293 14.529 21.566 180 HA2 GLY 23 HA2 GLY 23 24.011 13.304 23.932 181 HA3 GLY 23 HA3 GLY 23 23.665 14.955 24.448 182 H GLU 24 H GLU 24 22.034 12.813 22.061 183 HA GLU 24 HA GLU 24 19.837 12.405 21.659 184 HB2 GLU 24 HB2 GLU 24 19.320 12.636 24.636 185 HB3 GLU 24 HB3 GLU 24 18.327 11.823 23.435 186 HG2 GLU 24 HG2 GLU 24 21.129 11.001 24.327 187 HG3 GLU 24 HG3 GLU 24 19.609 10.238 24.766 188 H GLU 25 H GLU 25 20.890 15.084 21.675 189 HA GLU 25 HA GLU 25 18.497 16.582 21.064 190 HB2 GLU 25 HB2 GLU 25 18.913 18.449 22.536 191 HB3 GLU 25 HB3 GLU 25 18.695 16.970 23.469 192 HG2 GLU 25 HG2 GLU 25 21.284 16.852 23.578 193 HG3 GLU 25 HG3 GLU 25 21.261 18.516 22.991 194 H CYS 26 H CYS 26 18.932 18.256 19.659 195 HA CYS 26 HA CYS 26 21.653 18.289 18.479 196 HB2 CYS 26 HB2 CYS 26 19.792 17.625 17.059 197 HB3 CYS 26 HB3 CYS 26 18.948 19.131 17.412 198 H LYS 27 H LYS 27 22.824 20.117 18.162 199 HA LYS 27 HA LYS 27 21.702 22.737 19.039 200 HB2 LYS 27 HB2 LYS 27 23.274 21.718 20.781 201 HB3 LYS 27 HB3 LYS 27 24.574 21.962 19.607 202 HG2 LYS 27 HG2 LYS 27 23.844 24.443 19.540 203 HG3 LYS 27 HG3 LYS 27 22.792 24.075 20.905 204 HD2 LYS 27 HD2 LYS 27 25.830 23.919 20.804 205 HD3 LYS 27 HD3 LYS 27 24.859 25.092 21.694 206 HE2 LYS 27 HE2 LYS 27 23.983 23.313 23.161 207 HE3 LYS 27 HE3 LYS 27 24.837 22.097 22.214 208 HZ1 LYS 27 HZ1 LYS 27 26.960 23.172 22.926 209 HZ2 LYS 27 HZ2 LYS 27 26.124 24.142 23.932 210 HZ3 LYS 27 HZ3 LYS 27 26.064 22.539 24.152 211 H CYS 28 H CYS 28 22.020 24.370 17.634 212 HA CYS 28 HA CYS 28 23.210 23.823 15.068 213 HB2 CYS 28 HB2 CYS 28 22.343 26.460 16.257 214 HB3 CYS 28 HB3 CYS 28 22.752 26.186 14.570 215 H VAL 29 H VAL 29 24.985 25.011 14.059 216 HA VAL 29 HA VAL 29 26.903 26.421 15.772 217 HB VAL 29 HB VAL 29 28.836 25.072 15.087 218 HG11 VAL 29 HG11 VAL 29 28.609 23.285 16.674 219 HG12 VAL 29 HG12 VAL 29 27.779 24.723 17.298 220 HG13 VAL 29 HG13 VAL 29 26.845 23.382 16.613 221 HG21 VAL 29 HG21 VAL 29 26.822 23.029 14.069 222 HG22 VAL 29 HG22 VAL 29 28.042 23.906 13.105 223 HG23 VAL 29 HG23 VAL 29 28.551 22.737 14.315 224 HA PRO 30 HA PRO 30 27.635 28.335 11.768 225 HB2 PRO 30 HB2 PRO 30 29.561 30.119 12.363 226 HB3 PRO 30 HB3 PRO 30 27.925 30.188 13.079 227 HG2 PRO 30 HG2 PRO 30 30.450 29.045 14.327 228 HG3 PRO 30 HG3 PRO 30 29.263 30.172 15.062 229 HD2 PRO 30 HD2 PRO 30 29.218 27.402 15.380 230 HD3 PRO 30 HD3 PRO 30 27.770 28.449 15.528 231 H HIS 31 H HIS 31 28.288 26.003 11.437 232 HA HIS 31 HA HIS 31 29.606 24.339 10.610 233 HB2 HIS 31 HB2 HIS 31 30.715 26.656 9.023 234 HB3 HIS 31 HB3 HIS 31 30.785 24.964 8.564 235 HD2 HIS 31 HD2 HIS 31 28.576 23.833 7.636 236 HE1 HIS 31 HE1 HIS 31 26.058 27.247 7.726 237 HE2 HIS 31 HE2 HIS 31 26.259 24.882 6.865 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 14.655 15.174 26.932 2 H2 ALA 1 H2 ALA 1 15.531 13.904 26.358 3 H3 ALA 1 H3 ALA 1 13.896 13.972 26.121 4 HA ALA 1 HA ALA 1 14.101 15.918 24.777 5 HB1 ALA 1 HB1 ALA 1 17.105 15.469 25.011 6 HB2 ALA 1 HB2 ALA 1 16.286 16.687 24.013 7 HB3 ALA 1 HB3 ALA 1 16.193 16.788 25.783 8 H PHE 2 H PHE 2 14.099 15.675 22.548 9 HA PHE 2 HA PHE 2 14.883 12.985 21.510 10 HB2 PHE 2 HB2 PHE 2 12.487 14.616 20.650 11 HB3 PHE 2 HB3 PHE 2 12.946 13.018 20.065 12 HD1 PHE 2 HD1 PHE 2 13.525 11.401 22.351 13 HD2 PHE 2 HD2 PHE 2 10.539 14.486 21.982 14 HE1 PHE 2 HE1 PHE 2 12.249 10.378 24.200 15 HE2 PHE 2 HE2 PHE 2 9.284 13.471 23.870 16 HZ PHE 2 HZ PHE 2 10.136 11.419 24.982 17 H CYS 3 H CYS 3 16.273 12.925 19.983 18 HA CYS 3 HA CYS 3 17.437 15.438 19.058 19 HB2 CYS 3 HB2 CYS 3 18.483 13.169 20.023 20 HB3 CYS 3 HB3 CYS 3 18.538 12.746 18.328 21 H ASN 4 H ASN 4 16.770 16.370 17.142 22 HA ASN 4 HA ASN 4 16.047 14.578 14.856 23 HB2 ASN 4 HB2 ASN 4 15.607 17.542 15.337 24 HB3 ASN 4 HB3 ASN 4 15.517 16.823 13.742 25 HD21 ASN 4 HD21 ASN 4 12.405 15.272 14.238 26 HD22 ASN 4 HD22 ASN 4 13.821 15.383 13.196 27 H LEU 5 H LEU 5 17.031 15.172 12.742 28 HA LEU 5 HA LEU 5 19.755 16.356 12.998 29 HB2 LEU 5 HB2 LEU 5 19.653 13.751 12.980 30 HB3 LEU 5 HB3 LEU 5 19.351 13.920 11.257 31 HG LEU 5 HG LEU 5 21.753 15.007 12.801 32 HD11 LEU 5 HD11 LEU 5 23.010 13.275 11.612 33 HD12 LEU 5 HD12 LEU 5 21.710 12.545 12.564 34 HD13 LEU 5 HD13 LEU 5 21.526 12.720 10.806 35 HD21 LEU 5 HD21 LEU 5 22.747 15.361 10.509 36 HD22 LEU 5 HD22 LEU 5 21.138 15.087 9.816 37 HD23 LEU 5 HD23 LEU 5 21.439 16.472 10.898 38 H ARG 6 H ARG 6 17.684 15.068 10.274 39 HA ARG 6 HA ARG 6 18.471 17.248 8.589 40 HB2 ARG 6 HB2 ARG 6 17.600 15.035 7.810 41 HB3 ARG 6 HB3 ARG 6 15.997 15.465 8.390 42 HG2 ARG 6 HG2 ARG 6 16.293 15.744 5.935 43 HG3 ARG 6 HG3 ARG 6 15.762 17.208 6.747 44 HD2 ARG 6 HD2 ARG 6 17.534 17.422 4.893 45 HD3 ARG 6 HD3 ARG 6 17.772 18.312 6.402 46 HE ARG 6 HE ARG 6 19.068 15.695 6.411 47 HH11 ARG 6 HH11 ARG 6 19.672 18.866 5.126 48 HH12 ARG 6 HH12 ARG 6 21.299 18.909 5.747 49 HH21 ARG 6 HH21 ARG 6 21.167 15.799 7.125 50 HH22 ARG 6 HH22 ARG 6 22.026 17.345 7.066 51 H ARG 7 H ARG 7 15.479 16.846 10.514 52 HA ARG 7 HA ARG 7 14.417 19.453 9.824 53 HB2 ARG 7 HB2 ARG 7 13.109 17.567 10.780 54 HB3 ARG 7 HB3 ARG 7 13.939 17.749 12.307 55 HG2 ARG 7 HG2 ARG 7 11.645 18.692 12.259 56 HG3 ARG 7 HG3 ARG 7 12.871 19.824 12.793 57 HD2 ARG 7 HD2 ARG 7 12.183 19.907 9.864 58 HD3 ARG 7 HD3 ARG 7 10.913 20.391 10.989 59 HE ARG 7 HE ARG 7 13.276 21.713 11.803 60 HH11 ARG 7 HH11 ARG 7 11.266 21.910 8.901 61 HH12 ARG 7 HH12 ARG 7 11.624 23.616 8.741 62 HH21 ARG 7 HH21 ARG 7 13.495 23.803 11.612 63 HH22 ARG 7 HH22 ARG 7 12.853 24.655 10.197 64 H CYS 8 H CYS 8 16.597 18.369 12.384 65 HA CYS 8 HA CYS 8 16.856 20.909 13.716 66 HB2 CYS 8 HB2 CYS 8 17.696 18.852 14.737 67 HB3 CYS 8 HB3 CYS 8 18.873 18.662 13.434 68 H GLU 9 H GLU 9 18.801 19.567 10.943 69 HA GLU 9 HA GLU 9 20.432 21.851 10.562 70 HB2 GLU 9 HB2 GLU 9 19.374 19.907 8.471 71 HB3 GLU 9 HB3 GLU 9 20.654 21.066 8.216 72 HG2 GLU 9 HG2 GLU 9 21.332 19.485 10.547 73 HG3 GLU 9 HG3 GLU 9 20.825 18.399 9.255 74 H LEU 10 H LEU 10 17.117 21.257 9.294 75 HA LEU 10 HA LEU 10 16.989 23.760 7.826 76 HB2 LEU 10 HB2 LEU 10 14.726 22.036 8.881 77 HB3 LEU 10 HB3 LEU 10 14.591 23.316 7.675 78 HG LEU 10 HG LEU 10 16.015 20.662 7.389 79 HD11 LEU 10 HD11 LEU 10 13.602 21.821 5.947 80 HD12 LEU 10 HD12 LEU 10 14.316 20.218 5.677 81 HD13 LEU 10 HD13 LEU 10 13.553 20.588 7.229 82 HD21 LEU 10 HD21 LEU 10 17.332 22.267 6.120 83 HD22 LEU 10 HD22 LEU 10 16.387 21.284 5.003 84 HD23 LEU 10 HD23 LEU 10 15.861 22.934 5.375 85 H SER 11 H SER 11 16.217 22.913 11.180 86 HA SER 11 HA SER 11 15.024 25.487 11.871 87 HB2 SER 11 HB2 SER 11 16.419 23.468 13.666 88 HB3 SER 11 HB3 SER 11 15.370 24.791 14.192 89 HG SER 11 HG SER 11 14.458 22.603 13.982 90 H CYS 12 H CYS 12 18.348 24.182 12.069 91 HA CYS 12 HA CYS 12 19.567 26.596 13.052 92 HB2 CYS 12 HB2 CYS 12 20.684 24.225 11.511 93 HB3 CYS 12 HB3 CYS 12 21.653 25.445 12.314 94 H ARG 13 H ARG 13 18.727 25.508 9.779 95 HA ARG 13 HA ARG 13 20.235 27.244 8.189 96 HB2 ARG 13 HB2 ARG 13 18.576 25.367 7.538 97 HB3 ARG 13 HB3 ARG 13 17.311 26.600 7.626 98 HG2 ARG 13 HG2 ARG 13 18.491 27.900 5.857 99 HG3 ARG 13 HG3 ARG 13 19.792 26.695 5.872 100 HD2 ARG 13 HD2 ARG 13 18.487 26.130 4.004 101 HD3 ARG 13 HD3 ARG 13 18.095 24.935 5.226 102 HE ARG 13 HE ARG 13 15.898 25.776 5.359 103 HH11 ARG 13 HH11 ARG 13 17.690 27.737 3.019 104 HH12 ARG 13 HH12 ARG 13 16.214 28.393 2.397 105 HH21 ARG 13 HH21 ARG 13 14.174 26.631 4.484 106 HH22 ARG 13 HH22 ARG 13 14.290 27.831 3.202 107 H SER 14 H SER 14 17.345 28.049 10.078 108 HA SER 14 HA SER 14 16.891 30.652 9.040 109 HB2 SER 14 HB2 SER 14 16.273 29.506 11.783 110 HB3 SER 14 HB3 SER 14 15.612 31.018 11.133 111 HG SER 14 HG SER 14 14.355 28.961 10.876 112 H LEU 15 H LEU 15 19.691 29.739 10.887 113 HA LEU 15 HA LEU 15 20.305 32.646 11.118 114 HB2 LEU 15 HB2 LEU 15 20.987 30.446 13.094 115 HB3 LEU 15 HB3 LEU 15 21.690 32.065 13.144 116 HG LEU 15 HG LEU 15 18.714 31.492 13.385 117 HD11 LEU 15 HD11 LEU 15 19.923 30.516 15.272 118 HD12 LEU 15 HD12 LEU 15 20.813 32.043 15.524 119 HD13 LEU 15 HD13 LEU 15 19.056 31.975 15.801 120 HD21 LEU 15 HD21 LEU 15 18.613 33.796 14.310 121 HD22 LEU 15 HD22 LEU 15 20.345 34.009 13.979 122 HD23 LEU 15 HD23 LEU 15 19.190 33.808 12.645 123 H GLY 16 H GLY 16 20.756 30.505 9.058 124 HA2 GLY 16 HA2 GLY 16 22.417 29.936 7.549 125 HA3 GLY 16 HA3 GLY 16 23.444 31.178 8.272 126 H LEU 17 H LEU 17 22.212 28.586 10.288 127 HA LEU 17 HA LEU 17 24.974 27.567 10.717 128 HB2 LEU 17 HB2 LEU 17 22.500 27.183 12.391 129 HB3 LEU 17 HB3 LEU 17 24.116 26.742 12.867 130 HG LEU 17 HG LEU 17 23.051 29.511 12.408 131 HD11 LEU 17 HD11 LEU 17 23.681 28.263 15.087 132 HD12 LEU 17 HD12 LEU 17 23.043 29.880 14.779 133 HD13 LEU 17 HD13 LEU 17 22.039 28.473 14.409 134 HD21 LEU 17 HD21 LEU 17 25.106 30.272 13.529 135 HD22 LEU 17 HD22 LEU 17 25.623 28.568 13.716 136 HD23 LEU 17 HD23 LEU 17 25.522 29.310 12.092 137 H LEU 18 H LEU 18 25.221 25.402 11.190 138 HA LEU 18 HA LEU 18 23.577 23.425 9.651 139 HB2 LEU 18 HB2 LEU 18 26.488 23.360 10.575 140 HB3 LEU 18 HB3 LEU 18 25.600 21.989 9.944 141 HG LEU 18 HG LEU 18 25.171 23.431 7.823 142 HD11 LEU 18 HD11 LEU 18 27.585 24.889 9.005 143 HD12 LEU 18 HD12 LEU 18 27.070 24.982 7.305 144 HD13 LEU 18 HD13 LEU 18 26.017 25.609 8.570 145 HD21 LEU 18 HD21 LEU 18 27.974 22.425 8.469 146 HD22 LEU 18 HD22 LEU 18 26.611 21.435 7.887 147 HD23 LEU 18 HD23 LEU 18 27.297 22.679 6.846 148 H GLY 19 H GLY 19 23.187 21.365 10.770 149 HA2 GLY 19 HA2 GLY 19 22.779 21.775 13.732 150 HA3 GLY 19 HA3 GLY 19 21.646 20.944 12.679 151 H LYS 20 H LYS 20 23.766 20.372 15.053 152 HA LYS 20 HA LYS 20 24.578 17.637 14.080 153 HB2 LYS 20 HB2 LYS 20 26.040 19.702 15.747 154 HB3 LYS 20 HB3 LYS 20 26.315 17.991 16.032 155 HG2 LYS 20 HG2 LYS 20 28.025 18.741 14.620 156 HG3 LYS 20 HG3 LYS 20 27.003 17.663 13.684 157 HD2 LYS 20 HD2 LYS 20 26.079 19.527 12.443 158 HD3 LYS 20 HD3 LYS 20 26.835 20.711 13.540 159 HE2 LYS 20 HE2 LYS 20 29.065 19.997 12.839 160 HE3 LYS 20 HE3 LYS 20 28.393 18.648 11.919 161 HZ1 LYS 20 HZ1 LYS 20 28.973 20.335 10.431 162 HZ2 LYS 20 HZ2 LYS 20 27.321 20.333 10.452 163 HZ3 LYS 20 HZ3 LYS 20 28.238 21.526 11.195 164 H CYS 21 H CYS 21 23.417 16.080 15.015 165 HA CYS 21 HA CYS 21 22.011 16.414 17.567 166 HB2 CYS 21 HB2 CYS 21 20.979 15.023 15.917 167 HB3 CYS 21 HB3 CYS 21 22.445 14.062 15.719 168 H ILE 22 H ILE 22 22.965 16.204 19.588 169 HA ILE 22 HA ILE 22 25.730 15.183 19.658 170 HB ILE 22 HB ILE 22 24.084 16.445 21.863 171 HG12 ILE 22 HG12 ILE 22 24.275 18.071 20.088 172 HG13 ILE 22 HG13 ILE 22 25.347 18.512 21.400 173 HG21 ILE 22 HG21 ILE 22 26.364 16.909 22.847 174 HG22 ILE 22 HG22 ILE 22 25.924 15.202 22.818 175 HG23 ILE 22 HG23 ILE 22 27.065 15.848 21.618 176 HD11 ILE 22 HD11 ILE 22 26.408 18.914 19.239 177 HD12 ILE 22 HD12 ILE 22 27.301 17.657 20.109 178 HD13 ILE 22 HD13 ILE 22 26.210 17.224 18.768 179 H GLY 23 H GLY 23 22.590 14.155 20.937 180 HA2 GLY 23 HA2 GLY 23 23.163 11.408 20.798 181 HA3 GLY 23 HA3 GLY 23 23.547 11.896 22.452 182 H GLU 24 H GLU 24 21.477 13.833 22.766 183 HA GLU 24 HA GLU 24 18.872 12.458 22.327 184 HB2 GLU 24 HB2 GLU 24 19.768 13.654 24.976 185 HB3 GLU 24 HB3 GLU 24 18.163 13.021 24.600 186 HG2 GLU 24 HG2 GLU 24 19.162 10.761 24.224 187 HG3 GLU 24 HG3 GLU 24 20.740 11.397 24.697 188 H GLU 25 H GLU 25 20.724 15.444 22.498 189 HA GLU 25 HA GLU 25 18.399 16.904 21.348 190 HB2 GLU 25 HB2 GLU 25 18.524 17.640 23.633 191 HB3 GLU 25 HB3 GLU 25 20.280 17.781 23.552 192 HG2 GLU 25 HG2 GLU 25 19.378 19.962 23.594 193 HG3 GLU 25 HG3 GLU 25 20.065 19.721 22.013 194 H CYS 26 H CYS 26 18.915 18.541 19.873 195 HA CYS 26 HA CYS 26 21.545 18.192 18.523 196 HB2 CYS 26 HB2 CYS 26 19.502 17.512 17.286 197 HB3 CYS 26 HB3 CYS 26 18.908 19.167 17.403 198 H LYS 27 H LYS 27 22.767 19.858 17.880 199 HA LYS 27 HA LYS 27 22.305 22.558 19.120 200 HB2 LYS 27 HB2 LYS 27 24.009 21.110 20.248 201 HB3 LYS 27 HB3 LYS 27 24.838 20.930 18.708 202 HG2 LYS 27 HG2 LYS 27 25.101 23.515 18.736 203 HG3 LYS 27 HG3 LYS 27 24.522 23.446 20.404 204 HD2 LYS 27 HD2 LYS 27 26.953 23.589 20.270 205 HD3 LYS 27 HD3 LYS 27 26.490 22.032 20.991 206 HE2 LYS 27 HE2 LYS 27 26.888 20.895 18.856 207 HE3 LYS 27 HE3 LYS 27 27.152 22.430 18.041 208 HZ1 LYS 27 HZ1 LYS 27 29.170 21.224 18.584 209 HZ2 LYS 27 HZ2 LYS 27 29.211 22.705 19.252 210 HZ3 LYS 27 HZ3 LYS 27 28.894 21.388 20.200 211 H CYS 28 H CYS 28 22.778 24.370 17.861 212 HA CYS 28 HA CYS 28 23.397 23.906 15.002 213 HB2 CYS 28 HB2 CYS 28 22.598 26.457 16.403 214 HB3 CYS 28 HB3 CYS 28 22.841 26.239 14.676 215 H VAL 29 H VAL 29 25.077 25.005 13.910 216 HA VAL 29 HA VAL 29 27.145 26.486 15.403 217 HB VAL 29 HB VAL 29 28.962 25.028 14.474 218 HG11 VAL 29 HG11 VAL 29 27.209 23.579 16.459 219 HG12 VAL 29 HG12 VAL 29 28.955 23.377 16.226 220 HG13 VAL 29 HG13 VAL 29 28.322 24.908 16.862 221 HG21 VAL 29 HG21 VAL 29 26.762 22.957 14.094 222 HG22 VAL 29 HG22 VAL 29 27.642 23.767 12.785 223 HG23 VAL 29 HG23 VAL 29 28.509 22.703 13.891 224 HA PRO 30 HA PRO 30 27.641 28.150 11.214 225 HB2 PRO 30 HB2 PRO 30 30.081 29.347 11.340 226 HB3 PRO 30 HB3 PRO 30 28.662 29.988 12.221 227 HG2 PRO 30 HG2 PRO 30 30.900 28.249 13.298 228 HG3 PRO 30 HG3 PRO 30 30.204 29.730 14.023 229 HD2 PRO 30 HD2 PRO 30 29.458 27.185 14.756 230 HD3 PRO 30 HD3 PRO 30 28.326 28.557 14.823 231 H HIS 31 H HIS 31 29.699 25.846 12.683 232 HA HIS 31 HA HIS 31 31.509 25.266 10.518 233 HB2 HIS 31 HB2 HIS 31 30.895 23.458 12.863 234 HB3 HIS 31 HB3 HIS 31 32.380 23.552 11.930 235 HD2 HIS 31 HD2 HIS 31 31.406 24.222 15.216 236 HE1 HIS 31 HE1 HIS 31 33.917 27.567 14.446 237 HE2 HIS 31 HE2 HIS 31 32.882 26.113 16.268 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 11.922 12.520 25.626 2 H2 ALA 1 H2 ALA 1 13.491 13.054 25.777 3 H3 ALA 1 H3 ALA 1 13.168 11.513 25.276 4 HA ALA 1 HA ALA 1 12.067 12.329 23.319 5 HB1 ALA 1 HB1 ALA 1 11.527 14.599 24.206 6 HB2 ALA 1 HB2 ALA 1 13.256 15.018 24.130 7 HB3 ALA 1 HB3 ALA 1 12.367 14.664 22.647 8 H PHE 2 H PHE 2 13.241 12.515 21.353 9 HA PHE 2 HA PHE 2 16.125 11.773 21.660 10 HB2 PHE 2 HB2 PHE 2 14.125 10.863 19.578 11 HB3 PHE 2 HB3 PHE 2 15.803 10.361 19.689 12 HD1 PHE 2 HD1 PHE 2 16.565 9.134 21.849 13 HD2 PHE 2 HD2 PHE 2 12.440 9.625 20.697 14 HE1 PHE 2 HE1 PHE 2 15.933 7.201 23.279 15 HE2 PHE 2 HE2 PHE 2 11.815 7.698 22.116 16 HZ PHE 2 HZ PHE 2 13.553 6.490 23.422 17 H CYS 3 H CYS 3 17.552 12.234 19.959 18 HA CYS 3 HA CYS 3 17.539 14.986 19.205 19 HB2 CYS 3 HB2 CYS 3 19.454 13.444 19.831 20 HB3 CYS 3 HB3 CYS 3 19.311 12.714 18.237 21 H ASN 4 H ASN 4 17.034 16.028 17.264 22 HA ASN 4 HA ASN 4 16.220 14.419 14.890 23 HB2 ASN 4 HB2 ASN 4 15.868 17.331 15.740 24 HB3 ASN 4 HB3 ASN 4 15.628 16.810 14.081 25 HD21 ASN 4 HD21 ASN 4 12.550 15.148 14.723 26 HD22 ASN 4 HD22 ASN 4 13.981 15.079 13.684 27 H LEU 5 H LEU 5 17.185 15.024 12.800 28 HA LEU 5 HA LEU 5 19.618 16.691 12.924 29 HB2 LEU 5 HB2 LEU 5 20.161 14.202 13.209 30 HB3 LEU 5 HB3 LEU 5 19.713 14.002 11.527 31 HG LEU 5 HG LEU 5 22.093 14.146 11.854 32 HD11 LEU 5 HD11 LEU 5 21.204 16.661 10.421 33 HD12 LEU 5 HD12 LEU 5 22.743 15.812 10.234 34 HD13 LEU 5 HD13 LEU 5 21.251 15.015 9.731 35 HD21 LEU 5 HD21 LEU 5 21.789 17.022 12.808 36 HD22 LEU 5 HD22 LEU 5 22.084 15.628 13.875 37 HD23 LEU 5 HD23 LEU 5 23.280 16.081 12.648 38 H ARG 6 H ARG 6 17.820 14.714 10.493 39 HA ARG 6 HA ARG 6 18.118 16.672 8.386 40 HB2 ARG 6 HB2 ARG 6 16.461 14.184 8.810 41 HB3 ARG 6 HB3 ARG 6 15.970 15.285 7.545 42 HG2 ARG 6 HG2 ARG 6 17.371 13.558 6.606 43 HG3 ARG 6 HG3 ARG 6 18.106 15.147 6.436 44 HD2 ARG 6 HD2 ARG 6 19.821 13.592 6.913 45 HD3 ARG 6 HD3 ARG 6 19.646 14.650 8.311 46 HE ARG 6 HE ARG 6 18.150 12.611 9.174 47 HH11 ARG 6 HH11 ARG 6 21.362 12.414 7.685 48 HH12 ARG 6 HH12 ARG 6 21.644 10.863 8.450 49 HH21 ARG 6 HH21 ARG 6 18.598 10.537 9.876 50 HH22 ARG 6 HH22 ARG 6 20.274 10.011 9.798 51 H ARG 7 H ARG 7 15.750 16.536 10.965 52 HA ARG 7 HA ARG 7 14.206 18.812 9.858 53 HB2 ARG 7 HB2 ARG 7 13.160 16.881 11.094 54 HB3 ARG 7 HB3 ARG 7 14.036 17.366 12.536 55 HG2 ARG 7 HG2 ARG 7 11.716 18.045 12.622 56 HG3 ARG 7 HG3 ARG 7 12.767 19.451 12.678 57 HD2 ARG 7 HD2 ARG 7 11.847 18.638 9.940 58 HD3 ARG 7 HD3 ARG 7 10.566 19.143 11.049 59 HE ARG 7 HE ARG 7 12.581 21.083 11.287 60 HH11 ARG 7 HH11 ARG 7 10.411 20.098 8.644 61 HH12 ARG 7 HH12 ARG 7 10.015 21.798 8.357 62 HH21 ARG 7 HH21 ARG 7 12.023 23.057 10.749 63 HH22 ARG 7 HH22 ARG 7 10.956 23.360 9.356 64 H CYS 8 H CYS 8 16.551 18.158 12.435 65 HA CYS 8 HA CYS 8 16.485 20.689 13.744 66 HB2 CYS 8 HB2 CYS 8 17.541 18.715 14.780 67 HB3 CYS 8 HB3 CYS 8 18.706 18.635 13.451 68 H GLU 9 H GLU 9 18.531 19.595 10.999 69 HA GLU 9 HA GLU 9 20.156 21.857 10.627 70 HB2 GLU 9 HB2 GLU 9 18.906 19.909 8.646 71 HB3 GLU 9 HB3 GLU 9 20.109 21.101 8.186 72 HG2 GLU 9 HG2 GLU 9 21.136 19.605 10.451 73 HG3 GLU 9 HG3 GLU 9 20.532 18.491 9.222 74 H LEU 10 H LEU 10 16.735 21.502 9.703 75 HA LEU 10 HA LEU 10 16.793 23.624 7.717 76 HB2 LEU 10 HB2 LEU 10 14.448 22.338 9.177 77 HB3 LEU 10 HB3 LEU 10 14.331 23.367 7.756 78 HG LEU 10 HG LEU 10 15.718 20.650 7.871 79 HD11 LEU 10 HD11 LEU 10 13.306 20.426 8.028 80 HD12 LEU 10 HD12 LEU 10 13.065 21.533 6.656 81 HD13 LEU 10 HD13 LEU 10 13.820 19.948 6.410 82 HD21 LEU 10 HD21 LEU 10 15.800 20.834 5.397 83 HD22 LEU 10 HD22 LEU 10 15.152 22.483 5.503 84 HD23 LEU 10 HD23 LEU 10 16.766 22.103 6.153 85 H SER 11 H SER 11 15.839 23.507 11.148 86 HA SER 11 HA SER 11 15.172 26.355 11.230 87 HB2 SER 11 HB2 SER 11 14.129 24.738 12.703 88 HB3 SER 11 HB3 SER 11 15.673 24.372 13.475 89 HG SER 11 HG SER 11 15.603 26.269 14.498 90 H CYS 12 H CYS 12 18.151 24.445 11.861 91 HA CYS 12 HA CYS 12 19.696 26.629 12.849 92 HB2 CYS 12 HB2 CYS 12 20.534 24.201 11.209 93 HB3 CYS 12 HB3 CYS 12 21.644 25.297 11.994 94 H ARG 13 H ARG 13 19.001 25.691 9.462 95 HA ARG 13 HA ARG 13 20.722 27.573 8.191 96 HB2 ARG 13 HB2 ARG 13 19.716 25.802 6.976 97 HB3 ARG 13 HB3 ARG 13 18.080 26.340 7.343 98 HG2 ARG 13 HG2 ARG 13 18.271 28.253 5.882 99 HG3 ARG 13 HG3 ARG 13 20.031 28.056 5.769 100 HD2 ARG 13 HD2 ARG 13 19.086 27.262 3.716 101 HD3 ARG 13 HD3 ARG 13 19.724 25.894 4.645 102 HE ARG 13 HE ARG 13 16.833 26.405 4.965 103 HH11 ARG 13 HH11 ARG 13 19.306 24.570 3.250 104 HH12 ARG 13 HH12 ARG 13 18.174 23.287 2.841 105 HH21 ARG 13 HH21 ARG 13 15.419 24.831 4.133 106 HH22 ARG 13 HH22 ARG 13 16.082 23.388 3.406 107 H SER 14 H SER 14 17.577 28.161 9.736 108 HA SER 14 HA SER 14 17.158 30.781 8.637 109 HB2 SER 14 HB2 SER 14 16.163 29.623 11.262 110 HB3 SER 14 HB3 SER 14 15.535 31.058 10.442 111 HG SER 14 HG SER 14 14.366 29.074 10.040 112 H LEU 15 H LEU 15 19.467 29.735 11.013 113 HA LEU 15 HA LEU 15 20.120 32.584 11.634 114 HB2 LEU 15 HB2 LEU 15 20.669 30.055 13.216 115 HB3 LEU 15 HB3 LEU 15 21.249 31.662 13.657 116 HG LEU 15 HG LEU 15 18.318 30.834 13.499 117 HD11 LEU 15 HD11 LEU 15 19.542 29.718 15.336 118 HD12 LEU 15 HD12 LEU 15 20.125 31.297 15.916 119 HD13 LEU 15 HD13 LEU 15 18.391 30.903 15.952 120 HD21 LEU 15 HD21 LEU 15 17.918 32.946 14.747 121 HD22 LEU 15 HD22 LEU 15 19.630 33.379 14.554 122 HD23 LEU 15 HD23 LEU 15 18.565 33.250 13.130 123 H GLY 16 H GLY 16 20.905 30.362 9.461 124 HA2 GLY 16 HA2 GLY 16 22.680 30.177 8.021 125 HA3 GLY 16 HA3 GLY 16 23.521 31.444 8.917 126 H LEU 17 H LEU 17 22.423 28.286 10.186 127 HA LEU 17 HA LEU 17 25.253 27.589 10.877 128 HB2 LEU 17 HB2 LEU 17 22.781 26.862 12.434 129 HB3 LEU 17 HB3 LEU 17 24.426 26.793 12.992 130 HG LEU 17 HG LEU 17 22.871 29.314 12.405 131 HD11 LEU 17 HD11 LEU 17 23.471 28.190 15.144 132 HD12 LEU 17 HD12 LEU 17 22.686 29.726 14.778 133 HD13 LEU 17 HD13 LEU 17 21.869 28.227 14.344 134 HD21 LEU 17 HD21 LEU 17 24.665 30.440 13.644 135 HD22 LEU 17 HD22 LEU 17 25.420 28.850 13.962 136 HD23 LEU 17 HD23 LEU 17 25.366 29.521 12.300 137 H LEU 18 H LEU 18 25.626 25.345 11.338 138 HA LEU 18 HA LEU 18 24.139 23.376 9.619 139 HB2 LEU 18 HB2 LEU 18 26.747 23.228 11.190 140 HB3 LEU 18 HB3 LEU 18 25.955 21.790 10.556 141 HG LEU 18 HG LEU 18 26.845 24.095 8.820 142 HD11 LEU 18 HD11 LEU 18 28.779 23.037 9.908 143 HD12 LEU 18 HD12 LEU 18 28.204 21.428 9.401 144 HD13 LEU 18 HD13 LEU 18 28.734 22.610 8.193 145 HD21 LEU 18 HD21 LEU 18 26.669 22.459 6.976 146 HD22 LEU 18 HD22 LEU 18 26.014 21.257 8.106 147 HD23 LEU 18 HD23 LEU 18 25.108 22.742 7.743 148 H GLY 19 H GLY 19 23.283 21.478 10.615 149 HA2 GLY 19 HA2 GLY 19 22.620 21.735 13.541 150 HA3 GLY 19 HA3 GLY 19 21.660 20.836 12.371 151 H LYS 20 H LYS 20 23.593 20.366 14.890 152 HA LYS 20 HA LYS 20 24.647 17.715 13.973 153 HB2 LYS 20 HB2 LYS 20 26.186 19.947 15.336 154 HB3 LYS 20 HB3 LYS 20 26.722 18.258 15.315 155 HG2 LYS 20 HG2 LYS 20 26.773 18.240 12.874 156 HG3 LYS 20 HG3 LYS 20 26.155 19.905 12.795 157 HD2 LYS 20 HD2 LYS 20 28.090 20.771 13.878 158 HD3 LYS 20 HD3 LYS 20 28.744 19.132 14.166 159 HE2 LYS 20 HE2 LYS 20 28.720 18.750 11.700 160 HE3 LYS 20 HE3 LYS 20 28.204 20.418 11.434 161 HZ1 LYS 20 HZ1 LYS 20 30.733 19.665 12.791 162 HZ2 LYS 20 HZ2 LYS 20 30.619 20.053 11.196 163 HZ3 LYS 20 HZ3 LYS 20 30.300 21.178 12.337 164 H CYS 21 H CYS 21 24.442 16.103 15.433 165 HA CYS 21 HA CYS 21 22.726 16.621 17.720 166 HB2 CYS 21 HB2 CYS 21 22.530 14.660 16.163 167 HB3 CYS 21 HB3 CYS 21 23.991 14.005 16.910 168 H ILE 22 H ILE 22 23.101 16.194 19.897 169 HA ILE 22 HA ILE 22 25.915 16.134 20.906 170 HB ILE 22 HB ILE 22 23.304 16.649 22.382 171 HG12 ILE 22 HG12 ILE 22 25.414 18.658 21.453 172 HG13 ILE 22 HG13 ILE 22 23.793 18.484 20.778 173 HG21 ILE 22 HG21 ILE 22 26.182 17.051 23.290 174 HG22 ILE 22 HG22 ILE 22 24.718 17.327 24.258 175 HG23 ILE 22 HG23 ILE 22 25.142 15.698 23.788 176 HD11 ILE 22 HD11 ILE 22 22.830 19.039 23.039 177 HD12 ILE 22 HD12 ILE 22 24.479 19.460 23.568 178 HD13 ILE 22 HD13 ILE 22 23.719 20.352 22.253 179 H GLY 23 H GLY 23 22.791 14.506 21.144 180 HA2 GLY 23 HA2 GLY 23 23.595 11.859 21.049 181 HA3 GLY 23 HA3 GLY 23 23.630 12.265 22.775 182 H GLU 24 H GLU 24 21.605 13.718 23.363 183 HA GLU 24 HA GLU 24 19.112 12.688 22.058 184 HB2 GLU 24 HB2 GLU 24 18.024 12.352 24.137 185 HB3 GLU 24 HB3 GLU 24 19.541 11.458 24.093 186 HG2 GLU 24 HG2 GLU 24 20.518 13.536 25.375 187 HG3 GLU 24 HG3 GLU 24 18.834 13.913 25.725 188 H GLU 25 H GLU 25 20.837 15.280 22.216 189 HA GLU 25 HA GLU 25 18.554 17.060 21.671 190 HB2 GLU 25 HB2 GLU 25 20.852 17.600 23.576 191 HB3 GLU 25 HB3 GLU 25 20.218 18.917 22.602 192 HG2 GLU 25 HG2 GLU 25 18.639 17.227 24.545 193 HG3 GLU 25 HG3 GLU 25 19.153 18.900 24.797 194 H CYS 26 H CYS 26 18.975 18.601 20.073 195 HA CYS 26 HA CYS 26 21.470 18.149 18.487 196 HB2 CYS 26 HB2 CYS 26 19.354 17.567 17.320 197 HB3 CYS 26 HB3 CYS 26 18.816 19.234 17.527 198 H LYS 27 H LYS 27 22.647 19.916 17.765 199 HA LYS 27 HA LYS 27 22.033 22.594 18.930 200 HB2 LYS 27 HB2 LYS 27 23.623 21.628 20.405 201 HB3 LYS 27 HB3 LYS 27 24.618 21.008 19.086 202 HG2 LYS 27 HG2 LYS 27 25.313 23.229 18.449 203 HG3 LYS 27 HG3 LYS 27 24.196 23.987 19.581 204 HD2 LYS 27 HD2 LYS 27 26.583 22.231 20.312 205 HD3 LYS 27 HD3 LYS 27 26.575 23.992 20.323 206 HE2 LYS 27 HE2 LYS 27 24.926 22.180 22.145 207 HE3 LYS 27 HE3 LYS 27 26.361 23.107 22.589 208 HZ1 LYS 27 HZ1 LYS 27 25.022 25.137 21.906 209 HZ2 LYS 27 HZ2 LYS 27 23.702 24.160 21.863 210 HZ3 LYS 27 HZ3 LYS 27 24.514 24.377 23.267 211 H CYS 28 H CYS 28 22.413 24.307 17.664 212 HA CYS 28 HA CYS 28 23.326 23.844 14.907 213 HB2 CYS 28 HB2 CYS 28 22.344 26.360 16.248 214 HB3 CYS 28 HB3 CYS 28 22.726 26.172 14.541 215 H VAL 29 H VAL 29 25.163 24.915 13.972 216 HA VAL 29 HA VAL 29 26.955 26.379 15.819 217 HB VAL 29 HB VAL 29 28.942 25.157 15.253 218 HG11 VAL 29 HG11 VAL 29 26.871 23.257 16.408 219 HG12 VAL 29 HG12 VAL 29 28.628 23.230 16.656 220 HG13 VAL 29 HG13 VAL 29 27.672 24.571 17.303 221 HG21 VAL 29 HG21 VAL 29 28.365 24.149 13.087 222 HG22 VAL 29 HG22 VAL 29 28.887 22.926 14.238 223 HG23 VAL 29 HG23 VAL 29 27.151 23.115 13.876 224 HA PRO 30 HA PRO 30 27.743 28.673 12.093 225 HB2 PRO 30 HB2 PRO 30 29.380 30.602 13.009 226 HB3 PRO 30 HB3 PRO 30 27.721 30.372 13.628 227 HG2 PRO 30 HG2 PRO 30 30.293 29.343 14.871 228 HG3 PRO 30 HG3 PRO 30 28.991 30.295 15.657 229 HD2 PRO 30 HD2 PRO 30 29.161 27.532 15.727 230 HD3 PRO 30 HD3 PRO 30 27.615 28.426 15.814 231 H HIS 31 H HIS 31 28.746 26.428 11.699 232 HA HIS 31 HA HIS 31 30.199 25.155 10.505 233 HB2 HIS 31 HB2 HIS 31 31.048 27.849 9.426 234 HB3 HIS 31 HB3 HIS 31 31.197 26.293 8.613 235 HD2 HIS 31 HD2 HIS 31 28.732 29.082 9.364 236 HE1 HIS 31 HE1 HIS 31 26.430 26.041 7.479 237 HE2 HIS 31 HE2 HIS 31 26.382 28.433 8.362 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 16.736 20.618 22.823 2 H2 ALA 1 H2 ALA 1 15.238 20.049 23.213 3 H3 ALA 1 H3 ALA 1 15.417 21.612 22.739 4 HA ALA 1 HA ALA 1 14.464 20.416 20.973 5 HB1 ALA 1 HB1 ALA 1 16.124 20.859 19.193 6 HB2 ALA 1 HB2 ALA 1 15.992 22.213 20.326 7 HB3 ALA 1 HB3 ALA 1 17.381 21.107 20.426 8 H PHE 2 H PHE 2 14.012 18.430 20.252 9 HA PHE 2 HA PHE 2 15.216 16.052 21.005 10 HB2 PHE 2 HB2 PHE 2 13.775 16.648 18.390 11 HB3 PHE 2 HB3 PHE 2 14.028 15.051 19.073 12 HD1 PHE 2 HD1 PHE 2 11.862 17.953 19.045 13 HD2 PHE 2 HD2 PHE 2 12.964 14.448 21.307 14 HE1 PHE 2 HE1 PHE 2 9.697 18.044 20.249 15 HE2 PHE 2 HE2 PHE 2 10.789 14.545 22.496 16 HZ PHE 2 HZ PHE 2 9.144 16.325 21.954 17 H CYS 3 H CYS 3 16.340 14.389 19.781 18 HA CYS 3 HA CYS 3 18.793 15.346 18.570 19 HB2 CYS 3 HB2 CYS 3 18.544 13.440 20.177 20 HB3 CYS 3 HB3 CYS 3 17.760 12.530 18.897 21 H ASN 4 H ASN 4 16.922 16.315 16.879 22 HA ASN 4 HA ASN 4 16.657 14.667 14.465 23 HB2 ASN 4 HB2 ASN 4 16.289 17.640 15.069 24 HB3 ASN 4 HB3 ASN 4 16.103 16.941 13.459 25 HD21 ASN 4 HD21 ASN 4 12.983 15.327 14.419 26 HD22 ASN 4 HD22 ASN 4 14.489 14.864 13.599 27 H LEU 5 H LEU 5 17.803 15.190 12.527 28 HA LEU 5 HA LEU 5 20.350 16.718 12.803 29 HB2 LEU 5 HB2 LEU 5 20.869 14.363 12.965 30 HB3 LEU 5 HB3 LEU 5 20.006 13.996 11.490 31 HG LEU 5 HG LEU 5 22.497 14.030 11.350 32 HD11 LEU 5 HD11 LEU 5 22.685 14.869 9.207 33 HD12 LEU 5 HD12 LEU 5 20.979 14.405 9.329 34 HD13 LEU 5 HD13 LEU 5 21.462 16.116 9.443 35 HD21 LEU 5 HD21 LEU 5 22.864 16.045 12.790 36 HD22 LEU 5 HD22 LEU 5 23.756 16.058 11.252 37 HD23 LEU 5 HD23 LEU 5 22.290 17.039 11.433 38 H ARG 6 H ARG 6 18.704 15.073 10.049 39 HA ARG 6 HA ARG 6 19.170 17.337 8.353 40 HB2 ARG 6 HB2 ARG 6 17.788 16.204 6.698 41 HB3 ARG 6 HB3 ARG 6 19.015 15.150 7.402 42 HG2 ARG 6 HG2 ARG 6 17.331 14.044 8.811 43 HG3 ARG 6 HG3 ARG 6 16.063 15.103 8.184 44 HD2 ARG 6 HD2 ARG 6 17.756 13.220 6.496 45 HD3 ARG 6 HD3 ARG 6 16.145 12.837 7.116 46 HE ARG 6 HE ARG 6 15.700 15.200 5.809 47 HH11 ARG 6 HH11 ARG 6 16.988 12.114 4.671 48 HH12 ARG 6 HH12 ARG 6 16.665 12.570 2.995 49 HH21 ARG 6 HH21 ARG 6 15.313 15.607 3.741 50 HH22 ARG 6 HH22 ARG 6 15.658 14.429 2.499 51 H ARG 7 H ARG 7 16.303 16.527 10.325 52 HA ARG 7 HA ARG 7 14.807 18.864 9.365 53 HB2 ARG 7 HB2 ARG 7 14.367 17.056 11.775 54 HB3 ARG 7 HB3 ARG 7 13.283 18.347 11.268 55 HG2 ARG 7 HG2 ARG 7 12.959 17.225 9.078 56 HG3 ARG 7 HG3 ARG 7 14.034 15.924 9.561 57 HD2 ARG 7 HD2 ARG 7 11.818 15.138 9.806 58 HD3 ARG 7 HD3 ARG 7 12.479 15.355 11.436 59 HE ARG 7 HE ARG 7 11.114 17.742 10.742 60 HH11 ARG 7 HH11 ARG 7 10.113 14.379 11.039 61 HH12 ARG 7 HH12 ARG 7 8.496 14.843 11.541 62 HH21 ARG 7 HH21 ARG 7 9.146 18.185 11.726 63 HH22 ARG 7 HH22 ARG 7 7.926 16.944 11.799 64 H CYS 8 H CYS 8 17.045 18.258 12.047 65 HA CYS 8 HA CYS 8 16.562 20.706 13.485 66 HB2 CYS 8 HB2 CYS 8 17.842 18.788 14.431 67 HB3 CYS 8 HB3 CYS 8 19.117 19.063 13.247 68 H GLU 9 H GLU 9 18.878 19.919 10.846 69 HA GLU 9 HA GLU 9 20.140 22.402 10.529 70 HB2 GLU 9 HB2 GLU 9 19.301 20.277 8.561 71 HB3 GLU 9 HB3 GLU 9 20.262 21.681 8.064 72 HG2 GLU 9 HG2 GLU 9 22.086 21.053 9.486 73 HG3 GLU 9 HG3 GLU 9 21.151 19.783 10.266 74 H LEU 10 H LEU 10 16.840 21.548 9.468 75 HA LEU 10 HA LEU 10 16.457 23.869 7.785 76 HB2 LEU 10 HB2 LEU 10 14.335 22.213 9.191 77 HB3 LEU 10 HB3 LEU 10 14.105 23.259 7.801 78 HG LEU 10 HG LEU 10 15.729 20.690 7.834 79 HD11 LEU 10 HD11 LEU 10 13.919 19.781 6.452 80 HD12 LEU 10 HD12 LEU 10 13.320 20.302 8.036 81 HD13 LEU 10 HD13 LEU 10 13.023 21.308 6.608 82 HD21 LEU 10 HD21 LEU 10 15.776 20.931 5.368 83 HD22 LEU 10 HD22 LEU 10 15.013 22.530 5.517 84 HD23 LEU 10 HD23 LEU 10 16.642 22.244 6.173 85 H SER 11 H SER 11 16.041 23.323 11.261 86 HA SER 11 HA SER 11 14.812 25.952 11.758 87 HB2 SER 11 HB2 SER 11 16.156 23.948 13.621 88 HB3 SER 11 HB3 SER 11 15.362 25.442 14.142 89 HG SER 11 HG SER 11 13.467 24.598 13.817 90 H CYS 12 H CYS 12 18.081 24.504 11.960 91 HA CYS 12 HA CYS 12 19.449 26.823 12.886 92 HB2 CYS 12 HB2 CYS 12 20.411 24.441 11.269 93 HB3 CYS 12 HB3 CYS 12 21.447 25.572 12.105 94 H ARG 13 H ARG 13 18.452 25.951 9.634 95 HA ARG 13 HA ARG 13 19.877 27.644 7.963 96 HB2 ARG 13 HB2 ARG 13 17.986 25.958 7.459 97 HB3 ARG 13 HB3 ARG 13 16.867 27.230 7.917 98 HG2 ARG 13 HG2 ARG 13 16.837 27.428 5.646 99 HG3 ARG 13 HG3 ARG 13 18.057 28.633 6.030 100 HD2 ARG 13 HD2 ARG 13 18.510 25.771 5.070 101 HD3 ARG 13 HD3 ARG 13 18.648 27.212 4.075 102 HE ARG 13 HE ARG 13 20.604 26.106 5.905 103 HH11 ARG 13 HH11 ARG 13 19.682 29.176 4.451 104 HH12 ARG 13 HH12 ARG 13 21.306 29.818 4.586 105 HH21 ARG 13 HH21 ARG 13 22.640 26.817 5.662 106 HH22 ARG 13 HH22 ARG 13 22.970 28.462 5.200 107 H SER 14 H SER 14 17.487 28.619 10.341 108 HA SER 14 HA SER 14 16.799 31.233 9.591 109 HB2 SER 14 HB2 SER 14 15.867 29.981 11.502 110 HB3 SER 14 HB3 SER 14 17.415 30.100 12.349 111 HG SER 14 HG SER 14 15.396 31.981 12.016 112 H LEU 15 H LEU 15 19.902 30.153 11.031 113 HA LEU 15 HA LEU 15 20.969 32.942 10.804 114 HB2 LEU 15 HB2 LEU 15 21.506 30.830 12.908 115 HB3 LEU 15 HB3 LEU 15 22.374 32.364 12.798 116 HG LEU 15 HG LEU 15 19.358 32.174 13.188 117 HD11 LEU 15 HD11 LEU 15 21.532 32.537 15.278 118 HD12 LEU 15 HD12 LEU 15 19.780 32.652 15.560 119 HD13 LEU 15 HD13 LEU 15 20.501 31.106 15.078 120 HD21 LEU 15 HD21 LEU 15 20.154 34.359 12.310 121 HD22 LEU 15 HD22 LEU 15 19.586 34.504 13.979 122 HD23 LEU 15 HD23 LEU 15 21.323 34.463 13.634 123 H GLY 16 H GLY 16 21.000 30.598 8.906 124 HA2 GLY 16 HA2 GLY 16 22.451 29.774 7.318 125 HA3 GLY 16 HA3 GLY 16 23.656 30.941 7.872 126 H LEU 17 H LEU 17 22.313 28.506 10.052 127 HA LEU 17 HA LEU 17 25.024 27.311 10.393 128 HB2 LEU 17 HB2 LEU 17 22.605 27.099 12.173 129 HB3 LEU 17 HB3 LEU 17 24.226 26.640 12.605 130 HG LEU 17 HG LEU 17 23.244 29.444 12.101 131 HD11 LEU 17 HD11 LEU 17 23.198 29.822 14.484 132 HD12 LEU 17 HD12 LEU 17 22.118 28.485 14.083 133 HD13 LEU 17 HD13 LEU 17 23.723 28.166 14.804 134 HD21 LEU 17 HD21 LEU 17 25.688 29.164 11.873 135 HD22 LEU 17 HD22 LEU 17 25.323 30.077 13.347 136 HD23 LEU 17 HD23 LEU 17 25.720 28.340 13.464 137 H LEU 18 H LEU 18 25.126 25.116 10.949 138 HA LEU 18 HA LEU 18 23.103 23.273 9.722 139 HB2 LEU 18 HB2 LEU 18 26.022 22.835 10.462 140 HB3 LEU 18 HB3 LEU 18 24.922 21.517 10.089 141 HG LEU 18 HG LEU 18 25.648 23.735 8.145 142 HD11 LEU 18 HD11 LEU 18 26.547 20.825 8.293 143 HD12 LEU 18 HD12 LEU 18 26.966 21.985 7.016 144 HD13 LEU 18 HD13 LEU 18 27.551 22.243 8.665 145 HD21 LEU 18 HD21 LEU 18 24.635 22.227 6.449 146 HD22 LEU 18 HD22 LEU 18 24.099 21.136 7.741 147 HD23 LEU 18 HD23 LEU 18 23.438 22.790 7.610 148 H GLY 19 H GLY 19 23.103 21.165 11.214 149 HA2 GLY 19 HA2 GLY 19 22.866 21.926 14.077 150 HA3 GLY 19 HA3 GLY 19 21.476 21.209 13.254 151 H LYS 20 H LYS 20 23.529 20.299 15.415 152 HA LYS 20 HA LYS 20 24.043 17.566 14.287 153 HB2 LYS 20 HB2 LYS 20 26.045 19.258 15.817 154 HB3 LYS 20 HB3 LYS 20 26.280 17.601 15.241 155 HG2 LYS 20 HG2 LYS 20 26.017 18.402 12.877 156 HG3 LYS 20 HG3 LYS 20 25.847 20.068 13.478 157 HD2 LYS 20 HD2 LYS 20 28.066 19.849 14.570 158 HD3 LYS 20 HD3 LYS 20 28.268 18.290 13.733 159 HE2 LYS 20 HE2 LYS 20 27.982 19.448 11.541 160 HE3 LYS 20 HE3 LYS 20 27.771 20.992 12.379 161 HZ1 LYS 20 HZ1 LYS 20 30.022 20.763 11.592 162 HZ2 LYS 20 HZ2 LYS 20 30.055 20.728 13.254 163 HZ3 LYS 20 HZ3 LYS 20 30.238 19.350 12.417 164 H CYS 21 H CYS 21 23.716 15.887 15.727 165 HA CYS 21 HA CYS 21 22.517 16.638 18.315 166 HB2 CYS 21 HB2 CYS 21 21.362 15.001 16.914 167 HB3 CYS 21 HB3 CYS 21 22.743 13.903 17.076 168 H ILE 22 H ILE 22 23.279 16.143 20.314 169 HA ILE 22 HA ILE 22 25.741 14.558 20.674 170 HB ILE 22 HB ILE 22 25.460 17.309 21.957 171 HG12 ILE 22 HG12 ILE 22 27.404 16.537 19.727 172 HG13 ILE 22 HG13 ILE 22 25.991 17.573 19.541 173 HG21 ILE 22 HG21 ILE 22 27.728 16.866 22.818 174 HG22 ILE 22 HG22 ILE 22 26.653 15.579 23.310 175 HG23 ILE 22 HG23 ILE 22 27.778 15.310 21.964 176 HD11 ILE 22 HD11 ILE 22 28.454 18.227 21.160 177 HD12 ILE 22 HD12 ILE 22 27.847 19.019 19.700 178 HD13 ILE 22 HD13 ILE 22 26.943 19.171 21.223 179 H GLY 23 H GLY 23 25.091 13.013 22.119 180 HA2 GLY 23 HA2 GLY 23 24.139 12.058 23.990 181 HA3 GLY 23 HA3 GLY 23 24.241 13.652 24.736 182 H GLU 24 H GLU 24 22.233 12.506 21.987 183 HA GLU 24 HA GLU 24 20.024 12.420 21.615 184 HB2 GLU 24 HB2 GLU 24 19.475 12.351 24.581 185 HB3 GLU 24 HB3 GLU 24 18.458 11.764 23.276 186 HG2 GLU 24 HG2 GLU 24 21.117 10.573 24.171 187 HG3 GLU 24 HG3 GLU 24 19.516 9.915 24.456 188 H GLU 25 H GLU 25 21.245 15.136 21.881 189 HA GLU 25 HA GLU 25 18.656 16.444 21.443 190 HB2 GLU 25 HB2 GLU 25 18.995 18.352 22.801 191 HB3 GLU 25 HB3 GLU 25 19.171 16.943 23.843 192 HG2 GLU 25 HG2 GLU 25 21.656 17.200 23.655 193 HG3 GLU 25 HG3 GLU 25 21.418 18.642 22.660 194 H CYS 26 H CYS 26 18.755 18.191 19.955 195 HA CYS 26 HA CYS 26 21.290 18.332 18.422 196 HB2 CYS 26 HB2 CYS 26 19.117 17.908 17.250 197 HB3 CYS 26 HB3 CYS 26 18.655 19.566 17.655 198 H LYS 27 H LYS 27 22.314 20.236 17.830 199 HA LYS 27 HA LYS 27 21.504 22.838 18.956 200 HB2 LYS 27 HB2 LYS 27 22.926 21.782 20.680 201 HB3 LYS 27 HB3 LYS 27 24.228 21.565 19.501 202 HG2 LYS 27 HG2 LYS 27 24.498 23.980 19.275 203 HG3 LYS 27 HG3 LYS 27 23.087 24.283 20.285 204 HD2 LYS 27 HD2 LYS 27 25.688 22.969 21.198 205 HD3 LYS 27 HD3 LYS 27 25.189 24.639 21.494 206 HE2 LYS 27 HE2 LYS 27 23.091 23.647 22.635 207 HE3 LYS 27 HE3 LYS 27 23.935 22.093 22.599 208 HZ1 LYS 27 HZ1 LYS 27 24.938 24.561 23.906 209 HZ2 LYS 27 HZ2 LYS 27 24.296 23.251 24.687 210 HZ3 LYS 27 HZ3 LYS 27 25.733 23.144 23.878 211 H CYS 28 H CYS 28 22.187 24.586 17.674 212 HA CYS 28 HA CYS 28 23.135 23.856 15.015 213 HB2 CYS 28 HB2 CYS 28 22.433 26.567 16.119 214 HB3 CYS 28 HB3 CYS 28 22.737 26.188 14.430 215 H VAL 29 H VAL 29 24.855 24.853 13.865 216 HA VAL 29 HA VAL 29 27.009 26.225 15.293 217 HB VAL 29 HB VAL 29 28.644 24.415 14.302 218 HG11 VAL 29 HG11 VAL 29 28.580 25.141 16.641 219 HG12 VAL 29 HG12 VAL 29 27.301 23.951 16.973 220 HG13 VAL 29 HG13 VAL 29 28.910 23.412 16.471 221 HG21 VAL 29 HG21 VAL 29 27.958 22.141 14.537 222 HG22 VAL 29 HG22 VAL 29 26.362 22.587 15.169 223 HG23 VAL 29 HG23 VAL 29 26.761 22.905 13.472 224 HA PRO 30 HA PRO 30 27.301 27.881 11.275 225 HB2 PRO 30 HB2 PRO 30 29.502 29.459 11.437 226 HB3 PRO 30 HB3 PRO 30 28.091 29.715 12.509 227 HG2 PRO 30 HG2 PRO 30 30.652 28.214 13.139 228 HG3 PRO 30 HG3 PRO 30 29.838 29.473 14.120 229 HD2 PRO 30 HD2 PRO 30 29.491 26.777 14.546 230 HD3 PRO 30 HD3 PRO 30 28.200 27.960 14.855 231 H HIS 31 H HIS 31 29.890 25.854 12.242 232 HA HIS 31 HA HIS 31 31.804 26.119 10.246 233 HB2 HIS 31 HB2 HIS 31 31.116 23.467 11.556 234 HB3 HIS 31 HB3 HIS 31 32.682 24.018 10.996 235 HD2 HIS 31 HD2 HIS 31 30.837 23.519 14.068 236 HE1 HIS 31 HE1 HIS 31 33.491 26.687 15.077 237 HE2 HIS 31 HE2 HIS 31 31.899 24.954 16.015 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 15.444 19.694 23.653 2 H2 ALA 1 H2 ALA 1 14.082 18.815 23.933 3 H3 ALA 1 H3 ALA 1 13.966 20.435 23.752 4 HA ALA 1 HA ALA 1 13.214 19.326 21.792 5 HB1 ALA 1 HB1 ALA 1 14.569 20.512 20.158 6 HB2 ALA 1 HB2 ALA 1 14.400 21.533 21.604 7 HB3 ALA 1 HB3 ALA 1 15.906 20.650 21.322 8 H PHE 2 H PHE 2 13.646 17.863 20.025 9 HA PHE 2 HA PHE 2 14.917 15.500 21.025 10 HB2 PHE 2 HB2 PHE 2 14.033 15.770 18.167 11 HB3 PHE 2 HB3 PHE 2 13.950 14.373 19.223 12 HD1 PHE 2 HD1 PHE 2 12.484 15.453 21.612 13 HD2 PHE 2 HD2 PHE 2 11.882 16.113 17.388 14 HE1 PHE 2 HE1 PHE 2 10.111 16.018 22.026 15 HE2 PHE 2 HE2 PHE 2 9.503 16.646 17.813 16 HZ PHE 2 HZ PHE 2 8.609 16.609 20.132 17 H CYS 3 H CYS 3 16.336 14.050 19.805 18 HA CYS 3 HA CYS 3 18.718 15.262 18.642 19 HB2 CYS 3 HB2 CYS 3 18.768 13.273 20.112 20 HB3 CYS 3 HB3 CYS 3 17.814 12.381 18.922 21 H ASN 4 H ASN 4 17.061 16.384 17.033 22 HA ASN 4 HA ASN 4 16.459 14.823 14.602 23 HB2 ASN 4 HB2 ASN 4 16.422 17.819 15.211 24 HB3 ASN 4 HB3 ASN 4 15.941 17.085 13.697 25 HD21 ASN 4 HD21 ASN 4 12.823 15.881 14.988 26 HD22 ASN 4 HD22 ASN 4 14.157 15.273 14.020 27 H LEU 5 H LEU 5 17.608 15.223 12.593 28 HA LEU 5 HA LEU 5 20.196 16.639 12.845 29 HB2 LEU 5 HB2 LEU 5 20.585 14.226 13.028 30 HB3 LEU 5 HB3 LEU 5 19.892 13.965 11.443 31 HG LEU 5 HG LEU 5 22.401 13.976 11.642 32 HD11 LEU 5 HD11 LEU 5 21.428 16.082 9.679 33 HD12 LEU 5 HD12 LEU 5 22.849 15.038 9.565 34 HD13 LEU 5 HD13 LEU 5 21.236 14.323 9.463 35 HD21 LEU 5 HD21 LEU 5 23.645 16.026 11.773 36 HD22 LEU 5 HD22 LEU 5 22.177 17.012 11.786 37 HD23 LEU 5 HD23 LEU 5 22.563 15.968 13.175 38 H ARG 6 H ARG 6 18.382 15.144 10.029 39 HA ARG 6 HA ARG 6 18.879 17.474 8.391 40 HB2 ARG 6 HB2 ARG 6 16.861 15.217 8.235 41 HB3 ARG 6 HB3 ARG 6 16.878 16.550 7.070 42 HG2 ARG 6 HG2 ARG 6 19.207 16.032 6.451 43 HG3 ARG 6 HG3 ARG 6 19.260 14.734 7.644 44 HD2 ARG 6 HD2 ARG 6 18.851 13.792 5.434 45 HD3 ARG 6 HD3 ARG 6 17.425 13.558 6.473 46 HE ARG 6 HE ARG 6 17.021 15.969 5.065 47 HH11 ARG 6 HH11 ARG 6 17.164 12.560 4.222 48 HH12 ARG 6 HH12 ARG 6 16.188 12.856 2.773 49 HH21 ARG 6 HH21 ARG 6 15.777 16.184 3.360 50 HH22 ARG 6 HH22 ARG 6 15.397 14.807 2.334 51 H ARG 7 H ARG 7 16.071 16.635 10.469 52 HA ARG 7 HA ARG 7 14.577 19.043 9.777 53 HB2 ARG 7 HB2 ARG 7 14.393 17.140 12.152 54 HB3 ARG 7 HB3 ARG 7 13.329 18.517 11.910 55 HG2 ARG 7 HG2 ARG 7 12.586 17.556 9.731 56 HG3 ARG 7 HG3 ARG 7 13.609 16.133 10.045 57 HD2 ARG 7 HD2 ARG 7 12.338 15.717 12.148 58 HD3 ARG 7 HD3 ARG 7 11.310 17.106 11.812 59 HE ARG 7 HE ARG 7 11.461 14.567 10.199 60 HH11 ARG 7 HH11 ARG 7 9.514 17.412 11.021 61 HH12 ARG 7 HH12 ARG 7 8.079 16.708 10.354 62 HH21 ARG 7 HH21 ARG 7 9.514 13.713 9.476 63 HH22 ARG 7 HH22 ARG 7 8.066 14.680 9.587 64 H CYS 8 H CYS 8 17.015 18.320 12.239 65 HA CYS 8 HA CYS 8 16.961 20.884 13.556 66 HB2 CYS 8 HB2 CYS 8 18.034 18.898 14.581 67 HB3 CYS 8 HB3 CYS 8 19.229 18.879 13.289 68 H GLU 9 H GLU 9 18.910 19.693 10.743 69 HA GLU 9 HA GLU 9 20.385 22.068 10.305 70 HB2 GLU 9 HB2 GLU 9 19.452 19.865 8.437 71 HB3 GLU 9 HB3 GLU 9 20.443 21.210 7.878 72 HG2 GLU 9 HG2 GLU 9 22.225 20.677 9.377 73 HG3 GLU 9 HG3 GLU 9 21.295 19.426 10.185 74 H LEU 10 H LEU 10 17.007 21.399 9.404 75 HA LEU 10 HA LEU 10 16.700 23.868 7.868 76 HB2 LEU 10 HB2 LEU 10 14.608 22.161 9.266 77 HB3 LEU 10 HB3 LEU 10 14.289 23.448 8.117 78 HG LEU 10 HG LEU 10 15.725 20.839 7.495 79 HD11 LEU 10 HD11 LEU 10 13.677 20.359 6.207 80 HD12 LEU 10 HD12 LEU 10 13.334 20.541 7.933 81 HD13 LEU 10 HD13 LEU 10 12.942 21.860 6.806 82 HD21 LEU 10 HD21 LEU 10 16.538 22.623 6.010 83 HD22 LEU 10 HD22 LEU 10 15.460 21.544 5.122 84 HD23 LEU 10 HD23 LEU 10 14.860 23.125 5.670 85 H SER 11 H SER 11 16.036 22.965 11.289 86 HA SER 11 HA SER 11 15.030 25.518 12.114 87 HB2 SER 11 HB2 SER 11 16.643 23.582 13.817 88 HB3 SER 11 HB3 SER 11 15.464 24.785 14.370 89 HG SER 11 HG SER 11 13.857 23.584 13.188 90 H CYS 12 H CYS 12 18.355 24.236 12.001 91 HA CYS 12 HA CYS 12 19.675 26.578 13.005 92 HB2 CYS 12 HB2 CYS 12 20.611 24.255 11.284 93 HB3 CYS 12 HB3 CYS 12 21.678 25.406 12.049 94 H ARG 13 H ARG 13 18.681 25.663 9.695 95 HA ARG 13 HA ARG 13 20.180 27.534 8.215 96 HB2 ARG 13 HB2 ARG 13 18.612 25.653 7.412 97 HB3 ARG 13 HB3 ARG 13 17.291 26.794 7.661 98 HG2 ARG 13 HG2 ARG 13 18.480 28.356 6.012 99 HG3 ARG 13 HG3 ARG 13 19.655 27.058 5.747 100 HD2 ARG 13 HD2 ARG 13 17.973 26.963 3.996 101 HD3 ARG 13 HD3 ARG 13 17.755 25.554 5.050 102 HE ARG 13 HE ARG 13 16.162 27.885 5.844 103 HH11 ARG 13 HH11 ARG 13 15.971 25.048 3.734 104 HH12 ARG 13 HH12 ARG 13 14.215 25.122 3.782 105 HH21 ARG 13 HH21 ARG 13 14.137 27.881 5.848 106 HH22 ARG 13 HH22 ARG 13 13.178 26.824 4.820 107 H SER 14 H SER 14 17.370 28.149 10.270 108 HA SER 14 HA SER 14 16.664 30.733 9.373 109 HB2 SER 14 HB2 SER 14 16.533 29.558 12.177 110 HB3 SER 14 HB3 SER 14 15.669 31.006 11.620 111 HG SER 14 HG SER 14 14.652 29.743 10.053 112 H LEU 15 H LEU 15 19.564 29.866 11.199 113 HA LEU 15 HA LEU 15 20.214 32.793 11.275 114 HB2 LEU 15 HB2 LEU 15 21.094 30.524 13.086 115 HB3 LEU 15 HB3 LEU 15 21.837 32.120 13.109 116 HG LEU 15 HG LEU 15 18.891 31.590 13.652 117 HD11 LEU 15 HD11 LEU 15 21.187 32.153 15.598 118 HD12 LEU 15 HD12 LEU 15 19.468 31.973 16.023 119 HD13 LEU 15 HD13 LEU 15 20.363 30.592 15.386 120 HD21 LEU 15 HD21 LEU 15 18.992 33.883 14.664 121 HD22 LEU 15 HD22 LEU 15 20.623 34.082 13.995 122 HD23 LEU 15 HD23 LEU 15 19.211 33.876 12.913 123 H GLY 16 H GLY 16 20.620 30.440 9.233 124 HA2 GLY 16 HA2 GLY 16 22.167 30.102 7.520 125 HA3 GLY 16 HA3 GLY 16 23.243 31.302 8.241 126 H LEU 17 H LEU 17 22.121 28.690 10.247 127 HA LEU 17 HA LEU 17 24.866 27.571 10.468 128 HB2 LEU 17 HB2 LEU 17 22.407 27.197 12.208 129 HB3 LEU 17 HB3 LEU 17 24.030 26.667 12.610 130 HG LEU 17 HG LEU 17 22.990 29.471 12.333 131 HD11 LEU 17 HD11 LEU 17 23.757 28.114 14.918 132 HD12 LEU 17 HD12 LEU 17 23.049 29.715 14.703 133 HD13 LEU 17 HD13 LEU 17 22.077 28.294 14.322 134 HD21 LEU 17 HD21 LEU 17 25.362 29.455 11.892 135 HD22 LEU 17 HD22 LEU 17 25.120 30.109 13.517 136 HD23 LEU 17 HD23 LEU 17 25.644 28.422 13.339 137 H LEU 18 H LEU 18 24.814 25.221 11.103 138 HA LEU 18 HA LEU 18 22.737 23.532 9.817 139 HB2 LEU 18 HB2 LEU 18 25.747 23.134 9.638 140 HB3 LEU 18 HB3 LEU 18 24.594 21.831 9.359 141 HG LEU 18 HG LEU 18 24.699 24.398 7.732 142 HD11 LEU 18 HD11 LEU 18 25.639 22.956 5.962 143 HD12 LEU 18 HD12 LEU 18 26.692 22.976 7.385 144 HD13 LEU 18 HD13 LEU 18 25.646 21.574 7.078 145 HD21 LEU 18 HD21 LEU 18 22.438 23.395 7.682 146 HD22 LEU 18 HD22 LEU 18 23.254 23.142 6.140 147 HD23 LEU 18 HD23 LEU 18 23.142 21.805 7.295 148 H GLY 19 H GLY 19 22.952 21.228 10.851 149 HA2 GLY 19 HA2 GLY 19 23.055 21.691 13.822 150 HA3 GLY 19 HA3 GLY 19 21.823 20.750 13.000 151 H LYS 20 H LYS 20 23.769 20.103 15.177 152 HA LYS 20 HA LYS 20 24.455 17.382 14.151 153 HB2 LYS 20 HB2 LYS 20 26.240 19.152 15.881 154 HB3 LYS 20 HB3 LYS 20 26.511 17.439 15.610 155 HG2 LYS 20 HG2 LYS 20 26.571 19.544 13.398 156 HG3 LYS 20 HG3 LYS 20 27.974 18.970 14.291 157 HD2 LYS 20 HD2 LYS 20 27.524 16.644 13.506 158 HD3 LYS 20 HD3 LYS 20 26.193 17.264 12.507 159 HE2 LYS 20 HE2 LYS 20 27.757 18.673 11.235 160 HE3 LYS 20 HE3 LYS 20 29.086 18.228 12.314 161 HZ1 LYS 20 HZ1 LYS 20 27.641 16.328 10.561 162 HZ2 LYS 20 HZ2 LYS 20 29.155 16.914 10.267 163 HZ3 LYS 20 HZ3 LYS 20 28.872 15.938 11.556 164 H CYS 21 H CYS 21 23.746 15.768 15.560 165 HA CYS 21 HA CYS 21 22.346 16.613 18.005 166 HB2 CYS 21 HB2 CYS 21 21.330 14.897 16.684 167 HB3 CYS 21 HB3 CYS 21 22.777 13.877 16.807 168 H ILE 22 H ILE 22 22.978 16.333 20.104 169 HA ILE 22 HA ILE 22 25.842 15.680 20.614 170 HB ILE 22 HB ILE 22 23.712 16.858 22.427 171 HG12 ILE 22 HG12 ILE 22 24.123 18.450 20.663 172 HG13 ILE 22 HG13 ILE 22 24.855 19.010 22.149 173 HG21 ILE 22 HG21 ILE 22 25.684 17.551 23.832 174 HG22 ILE 22 HG22 ILE 22 25.401 15.816 23.795 175 HG23 ILE 22 HG23 ILE 22 26.714 16.515 22.825 176 HD11 ILE 22 HD11 ILE 22 27.104 18.295 21.319 177 HD12 ILE 22 HD12 ILE 22 26.347 17.761 19.797 178 HD13 ILE 22 HD13 ILE 22 26.320 19.469 20.251 179 H GLY 23 H GLY 23 22.628 14.403 21.234 180 HA2 GLY 23 HA2 GLY 23 23.247 11.754 21.287 181 HA3 GLY 23 HA3 GLY 23 23.482 12.214 22.977 182 H GLU 24 H GLU 24 21.427 14.052 23.351 183 HA GLU 24 HA GLU 24 18.889 12.560 22.739 184 HB2 GLU 24 HB2 GLU 24 19.535 14.131 25.253 185 HB3 GLU 24 HB3 GLU 24 18.040 13.270 24.918 186 HG2 GLU 24 HG2 GLU 24 20.780 11.989 25.331 187 HG3 GLU 24 HG3 GLU 24 19.495 12.102 26.521 188 H GLU 25 H GLU 25 20.581 15.498 22.396 189 HA GLU 25 HA GLU 25 18.211 16.908 21.318 190 HB2 GLU 25 HB2 GLU 25 18.407 17.458 23.698 191 HB3 GLU 25 HB3 GLU 25 20.096 17.932 23.485 192 HG2 GLU 25 HG2 GLU 25 19.505 19.884 22.283 193 HG3 GLU 25 HG3 GLU 25 17.889 19.303 21.923 194 H CYS 26 H CYS 26 18.793 18.691 19.860 195 HA CYS 26 HA CYS 26 21.450 18.310 18.587 196 HB2 CYS 26 HB2 CYS 26 19.333 18.018 17.253 197 HB3 CYS 26 HB3 CYS 26 19.027 19.739 17.501 198 H LYS 27 H LYS 27 22.767 20.015 17.963 199 HA LYS 27 HA LYS 27 22.142 22.754 18.949 200 HB2 LYS 27 HB2 LYS 27 24.737 21.231 19.429 201 HB3 LYS 27 HB3 LYS 27 24.674 23.004 19.388 202 HG2 LYS 27 HG2 LYS 27 22.976 23.025 21.137 203 HG3 LYS 27 HG3 LYS 27 23.033 21.243 21.229 204 HD2 LYS 27 HD2 LYS 27 25.542 21.518 21.761 205 HD3 LYS 27 HD3 LYS 27 25.194 23.230 22.034 206 HE2 LYS 27 HE2 LYS 27 23.885 20.859 23.455 207 HE3 LYS 27 HE3 LYS 27 25.174 21.863 24.126 208 HZ1 LYS 27 HZ1 LYS 27 23.011 22.545 24.940 209 HZ2 LYS 27 HZ2 LYS 27 23.687 23.754 24.073 210 HZ3 LYS 27 HZ3 LYS 27 22.459 22.829 23.419 211 H CYS 28 H CYS 28 22.681 24.365 17.623 212 HA CYS 28 HA CYS 28 23.429 23.667 14.899 213 HB2 CYS 28 HB2 CYS 28 22.767 26.274 16.248 214 HB3 CYS 28 HB3 CYS 28 23.031 26.076 14.503 215 H VAL 29 H VAL 29 25.021 24.831 13.674 216 HA VAL 29 HA VAL 29 27.431 25.759 15.083 217 HB VAL 29 HB VAL 29 28.893 24.298 13.723 218 HG11 VAL 29 HG11 VAL 29 27.096 22.783 15.661 219 HG12 VAL 29 HG12 VAL 29 28.762 22.381 15.202 220 HG13 VAL 29 HG13 VAL 29 28.437 23.858 16.117 221 HG21 VAL 29 HG21 VAL 29 26.411 22.577 13.279 222 HG22 VAL 29 HG22 VAL 29 27.234 23.512 12.015 223 HG23 VAL 29 HG23 VAL 29 28.078 22.186 12.826 224 HA PRO 30 HA PRO 30 27.164 28.436 11.596 225 HB2 PRO 30 HB2 PRO 30 29.152 30.183 12.164 226 HB3 PRO 30 HB3 PRO 30 27.822 29.899 13.324 227 HG2 PRO 30 HG2 PRO 30 30.584 28.627 13.331 228 HG3 PRO 30 HG3 PRO 30 29.727 29.414 14.697 229 HD2 PRO 30 HD2 PRO 30 29.715 26.703 14.281 230 HD3 PRO 30 HD3 PRO 30 28.351 27.595 15.014 231 H HIS 31 H HIS 31 30.043 26.612 11.793 232 HA HIS 31 HA HIS 31 31.995 26.445 10.582 233 HB2 HIS 31 HB2 HIS 31 30.058 26.394 8.250 234 HB3 HIS 31 HB3 HIS 31 31.661 25.669 8.317 235 HD2 HIS 31 HD2 HIS 31 28.207 24.657 8.473 236 HE1 HIS 31 HE1 HIS 31 30.090 21.822 11.020 237 HE2 HIS 31 HE2 HIS 31 28.001 22.301 9.696 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 12.043 15.726 23.994 2 H2 ALA 1 H2 ALA 1 11.095 14.391 24.193 3 H3 ALA 1 H3 ALA 1 10.405 15.816 23.782 4 HA ALA 1 HA ALA 1 10.535 14.239 21.955 5 HB1 ALA 1 HB1 ALA 1 12.195 16.764 21.545 6 HB2 ALA 1 HB2 ALA 1 11.370 15.831 20.286 7 HB3 ALA 1 HB3 ALA 1 10.415 16.686 21.510 8 H PHE 2 H PHE 2 11.815 13.146 20.425 9 HA PHE 2 HA PHE 2 14.486 12.231 21.297 10 HB2 PHE 2 HB2 PHE 2 12.737 11.622 18.889 11 HB3 PHE 2 HB3 PHE 2 14.311 10.918 19.169 12 HD1 PHE 2 HD1 PHE 2 10.800 10.991 20.381 13 HD2 PHE 2 HD2 PHE 2 14.668 9.125 20.757 14 HE1 PHE 2 HE1 PHE 2 9.779 9.133 21.660 15 HE2 PHE 2 HE2 PHE 2 13.630 7.254 22.016 16 HZ PHE 2 HZ PHE 2 11.188 7.250 22.469 17 H CYS 3 H CYS 3 16.336 12.310 19.701 18 HA CYS 3 HA CYS 3 16.867 15.014 18.950 19 HB2 CYS 3 HB2 CYS 3 18.404 12.939 19.641 20 HB3 CYS 3 HB3 CYS 3 18.546 12.763 17.895 21 H ASN 4 H ASN 4 17.609 15.780 16.778 22 HA ASN 4 HA ASN 4 16.509 14.307 14.419 23 HB2 ASN 4 HB2 ASN 4 16.302 17.286 15.076 24 HB3 ASN 4 HB3 ASN 4 16.178 16.674 13.434 25 HD21 ASN 4 HD21 ASN 4 14.548 14.667 13.278 26 HD22 ASN 4 HD22 ASN 4 12.994 15.114 13.967 27 H LEU 5 H LEU 5 17.570 15.136 12.355 28 HA LEU 5 HA LEU 5 20.190 16.421 12.766 29 HB2 LEU 5 HB2 LEU 5 20.369 13.836 12.588 30 HB3 LEU 5 HB3 LEU 5 19.989 14.049 10.895 31 HG LEU 5 HG LEU 5 22.330 13.855 11.176 32 HD11 LEU 5 HD11 LEU 5 21.915 16.824 10.686 33 HD12 LEU 5 HD12 LEU 5 23.219 15.792 10.093 34 HD13 LEU 5 HD13 LEU 5 21.570 15.546 9.492 35 HD21 LEU 5 HD21 LEU 5 23.725 15.326 12.510 36 HD22 LEU 5 HD22 LEU 5 22.325 16.265 13.037 37 HD23 LEU 5 HD23 LEU 5 22.500 14.568 13.546 38 H ARG 6 H ARG 6 18.455 15.137 9.821 39 HA ARG 6 HA ARG 6 18.928 17.508 8.303 40 HB2 ARG 6 HB2 ARG 6 18.289 15.328 7.335 41 HB3 ARG 6 HB3 ARG 6 16.704 15.424 8.086 42 HG2 ARG 6 HG2 ARG 6 16.703 15.950 5.659 43 HG3 ARG 6 HG3 ARG 6 16.011 17.224 6.649 44 HD2 ARG 6 HD2 ARG 6 17.478 18.022 4.755 45 HD3 ARG 6 HD3 ARG 6 17.897 18.654 6.343 46 HE ARG 6 HE ARG 6 19.933 17.627 6.256 47 HH11 ARG 6 HH11 ARG 6 18.010 16.036 3.680 48 HH12 ARG 6 HH12 ARG 6 19.439 15.255 3.082 49 HH21 ARG 6 HH21 ARG 6 21.579 16.357 5.420 50 HH22 ARG 6 HH22 ARG 6 21.297 15.457 3.937 51 H ARG 7 H ARG 7 16.088 16.642 10.262 52 HA ARG 7 HA ARG 7 14.677 19.154 9.798 53 HB2 ARG 7 HB2 ARG 7 14.407 17.026 11.943 54 HB3 ARG 7 HB3 ARG 7 13.344 18.430 11.829 55 HG2 ARG 7 HG2 ARG 7 12.636 17.740 9.560 56 HG3 ARG 7 HG3 ARG 7 13.721 16.343 9.631 57 HD2 ARG 7 HD2 ARG 7 12.500 15.464 11.581 58 HD3 ARG 7 HD3 ARG 7 11.408 16.863 11.550 59 HE ARG 7 HE ARG 7 11.130 15.852 9.012 60 HH11 ARG 7 HH11 ARG 7 10.765 14.280 12.156 61 HH12 ARG 7 HH12 ARG 7 9.613 13.145 11.478 62 HH21 ARG 7 HH21 ARG 7 9.754 14.454 8.312 63 HH22 ARG 7 HH22 ARG 7 8.970 13.286 9.375 64 H CYS 8 H CYS 8 17.176 18.266 12.069 65 HA CYS 8 HA CYS 8 16.977 20.674 13.721 66 HB2 CYS 8 HB2 CYS 8 18.015 18.616 14.557 67 HB3 CYS 8 HB3 CYS 8 19.203 18.657 13.269 68 H GLU 9 H GLU 9 18.997 19.751 10.839 69 HA GLU 9 HA GLU 9 20.356 22.236 10.523 70 HB2 GLU 9 HB2 GLU 9 19.413 20.231 8.447 71 HB3 GLU 9 HB3 GLU 9 20.501 21.566 8.112 72 HG2 GLU 9 HG2 GLU 9 22.237 20.674 9.451 73 HG3 GLU 9 HG3 GLU 9 21.192 19.442 10.157 74 H LEU 10 H LEU 10 17.150 21.245 9.200 75 HA LEU 10 HA LEU 10 16.621 23.629 7.748 76 HB2 LEU 10 HB2 LEU 10 14.680 21.796 9.213 77 HB3 LEU 10 HB3 LEU 10 14.199 23.048 8.077 78 HG LEU 10 HG LEU 10 15.911 20.640 7.401 79 HD11 LEU 10 HD11 LEU 10 13.932 19.824 6.198 80 HD12 LEU 10 HD12 LEU 10 13.548 20.070 7.909 81 HD13 LEU 10 HD13 LEU 10 13.013 21.256 6.704 82 HD21 LEU 10 HD21 LEU 10 16.442 22.499 5.892 83 HD22 LEU 10 HD22 LEU 10 15.513 21.267 5.042 84 HD23 LEU 10 HD23 LEU 10 14.703 22.752 5.577 85 H SER 11 H SER 11 16.038 22.928 11.177 86 HA SER 11 HA SER 11 14.880 25.497 11.845 87 HB2 SER 11 HB2 SER 11 14.813 23.404 13.274 88 HB3 SER 11 HB3 SER 11 16.533 23.648 13.628 89 HG SER 11 HG SER 11 14.297 25.198 14.333 90 H CYS 12 H CYS 12 18.237 24.372 11.751 91 HA CYS 12 HA CYS 12 19.434 26.756 12.789 92 HB2 CYS 12 HB2 CYS 12 20.518 24.471 11.112 93 HB3 CYS 12 HB3 CYS 12 21.481 25.753 11.784 94 H ARG 13 H ARG 13 18.064 26.220 9.656 95 HA ARG 13 HA ARG 13 19.538 28.027 8.008 96 HB2 ARG 13 HB2 ARG 13 16.533 27.557 8.166 97 HB3 ARG 13 HB3 ARG 13 17.336 28.456 6.896 98 HG2 ARG 13 HG2 ARG 13 18.615 26.483 6.198 99 HG3 ARG 13 HG3 ARG 13 17.861 25.515 7.465 100 HD2 ARG 13 HD2 ARG 13 16.448 26.839 5.112 101 HD3 ARG 13 HD3 ARG 13 16.807 25.114 5.291 102 HE ARG 13 HE ARG 13 15.291 25.924 7.553 103 HH11 ARG 13 HH11 ARG 13 14.733 25.187 4.120 104 HH12 ARG 13 HH12 ARG 13 13.011 25.037 4.432 105 HH21 ARG 13 HH21 ARG 13 13.067 25.514 7.745 106 HH22 ARG 13 HH22 ARG 13 12.166 25.222 6.263 107 H SER 14 H SER 14 17.418 28.709 10.733 108 HA SER 14 HA SER 14 16.697 31.335 10.133 109 HB2 SER 14 HB2 SER 14 15.924 29.894 12.060 110 HB3 SER 14 HB3 SER 14 17.369 30.441 12.936 111 HG SER 14 HG SER 14 15.234 32.013 11.867 112 H LEU 15 H LEU 15 19.834 30.406 11.708 113 HA LEU 15 HA LEU 15 20.898 33.059 10.843 114 HB2 LEU 15 HB2 LEU 15 21.735 31.270 13.159 115 HB3 LEU 15 HB3 LEU 15 22.609 32.697 12.612 116 HG LEU 15 HG LEU 15 19.994 33.645 12.865 117 HD11 LEU 15 HD11 LEU 15 20.614 31.861 15.254 118 HD12 LEU 15 HD12 LEU 15 19.305 33.067 15.164 119 HD13 LEU 15 HD13 LEU 15 19.276 31.653 14.103 120 HD21 LEU 15 HD21 LEU 15 20.864 34.873 14.811 121 HD22 LEU 15 HD22 LEU 15 22.247 33.749 14.905 122 HD23 LEU 15 HD23 LEU 15 22.055 34.825 13.498 123 H GLY 16 H GLY 16 20.644 30.490 9.251 124 HA2 GLY 16 HA2 GLY 16 21.860 29.463 7.586 125 HA3 GLY 16 HA3 GLY 16 23.083 30.719 7.786 126 H LEU 17 H LEU 17 22.225 28.474 10.379 127 HA LEU 17 HA LEU 17 25.017 27.471 10.477 128 HB2 LEU 17 HB2 LEU 17 22.762 27.103 12.447 129 HB3 LEU 17 HB3 LEU 17 24.453 26.733 12.719 130 HG LEU 17 HG LEU 17 23.332 29.500 12.246 131 HD11 LEU 17 HD11 LEU 17 23.505 29.939 14.604 132 HD12 LEU 17 HD12 LEU 17 22.427 28.566 14.340 133 HD13 LEU 17 HD13 LEU 17 24.096 28.302 14.921 134 HD21 LEU 17 HD21 LEU 17 25.956 28.569 13.445 135 HD22 LEU 17 HD22 LEU 17 25.773 29.216 11.792 136 HD23 LEU 17 HD23 LEU 17 25.466 30.265 13.189 137 H LEU 18 H LEU 18 25.218 25.162 11.224 138 HA LEU 18 HA LEU 18 23.296 23.297 9.872 139 HB2 LEU 18 HB2 LEU 18 26.308 23.124 10.194 140 HB3 LEU 18 HB3 LEU 18 25.319 21.722 9.772 141 HG LEU 18 HG LEU 18 25.206 24.277 8.122 142 HD11 LEU 18 HD11 LEU 18 27.544 23.574 8.179 143 HD12 LEU 18 HD12 LEU 18 27.067 21.914 7.777 144 HD13 LEU 18 HD13 LEU 18 26.834 23.226 6.595 145 HD21 LEU 18 HD21 LEU 18 24.481 22.715 6.345 146 HD22 LEU 18 HD22 LEU 18 24.577 21.364 7.491 147 HD23 LEU 18 HD23 LEU 18 23.383 22.664 7.727 148 H GLY 19 H GLY 19 22.935 21.260 10.986 149 HA2 GLY 19 HA2 GLY 19 22.944 21.683 13.959 150 HA3 GLY 19 HA3 GLY 19 21.670 20.902 13.040 151 H LYS 20 H LYS 20 23.853 20.167 15.246 152 HA LYS 20 HA LYS 20 24.209 17.356 14.269 153 HB2 LYS 20 HB2 LYS 20 26.353 19.081 15.572 154 HB3 LYS 20 HB3 LYS 20 26.380 17.326 15.571 155 HG2 LYS 20 HG2 LYS 20 27.738 17.763 13.818 156 HG3 LYS 20 HG3 LYS 20 26.206 17.449 13.002 157 HD2 LYS 20 HD2 LYS 20 25.908 19.846 12.567 158 HD3 LYS 20 HD3 LYS 20 27.255 20.240 13.641 159 HE2 LYS 20 HE2 LYS 20 27.944 20.453 11.319 160 HE3 LYS 20 HE3 LYS 20 28.843 19.159 12.118 161 HZ1 LYS 20 HZ1 LYS 20 28.028 18.571 9.858 162 HZ2 LYS 20 HZ2 LYS 20 27.496 17.537 10.994 163 HZ3 LYS 20 HZ3 LYS 20 26.474 18.674 10.381 164 H CYS 21 H CYS 21 24.011 15.740 15.779 165 HA CYS 21 HA CYS 21 22.403 16.481 18.145 166 HB2 CYS 21 HB2 CYS 21 21.642 14.718 16.562 167 HB3 CYS 21 HB3 CYS 21 23.050 13.753 17.017 168 H ILE 22 H ILE 22 23.147 16.563 20.174 169 HA ILE 22 HA ILE 22 25.960 16.099 20.759 170 HB ILE 22 HB ILE 22 23.591 16.957 22.444 171 HG12 ILE 22 HG12 ILE 22 25.950 18.662 21.564 172 HG13 ILE 22 HG13 ILE 22 24.522 18.483 20.546 173 HG21 ILE 22 HG21 ILE 22 25.280 17.672 24.155 174 HG22 ILE 22 HG22 ILE 22 25.226 15.930 23.959 175 HG23 ILE 22 HG23 ILE 22 26.542 16.860 23.210 176 HD11 ILE 22 HD11 ILE 22 24.329 20.513 21.835 177 HD12 ILE 22 HD12 ILE 22 23.077 19.365 22.347 178 HD13 ILE 22 HD13 ILE 22 24.517 19.634 23.361 179 H GLY 23 H GLY 23 22.925 14.575 21.832 180 HA2 GLY 23 HA2 GLY 23 23.810 11.901 21.858 181 HA3 GLY 23 HA3 GLY 23 24.071 12.536 23.492 182 H GLU 24 H GLU 24 21.812 14.265 23.628 183 HA GLU 24 HA GLU 24 19.400 12.511 23.301 184 HB2 GLU 24 HB2 GLU 24 19.889 14.734 25.332 185 HB3 GLU 24 HB3 GLU 24 18.462 13.730 25.180 186 HG2 GLU 24 HG2 GLU 24 19.787 11.718 25.805 187 HG3 GLU 24 HG3 GLU 24 21.220 12.751 25.991 188 H GLU 25 H GLU 25 20.827 15.675 22.714 189 HA GLU 25 HA GLU 25 18.371 16.668 21.331 190 HB2 GLU 25 HB2 GLU 25 18.493 17.432 23.671 191 HB3 GLU 25 HB3 GLU 25 20.134 17.994 23.426 192 HG2 GLU 25 HG2 GLU 25 18.662 19.864 23.503 193 HG3 GLU 25 HG3 GLU 25 19.326 19.746 21.878 194 H CYS 26 H CYS 26 18.731 18.279 19.698 195 HA CYS 26 HA CYS 26 21.514 18.354 18.614 196 HB2 CYS 26 HB2 CYS 26 19.965 17.039 17.265 197 HB3 CYS 26 HB3 CYS 26 18.874 18.416 17.124 198 H LYS 27 H LYS 27 22.467 20.161 18.090 199 HA LYS 27 HA LYS 27 21.048 22.776 18.141 200 HB2 LYS 27 HB2 LYS 27 23.383 21.986 19.927 201 HB3 LYS 27 HB3 LYS 27 23.003 23.666 19.534 202 HG2 LYS 27 HG2 LYS 27 20.699 23.369 20.432 203 HG3 LYS 27 HG3 LYS 27 21.131 21.721 20.942 204 HD2 LYS 27 HD2 LYS 27 22.929 22.620 22.372 205 HD3 LYS 27 HD3 LYS 27 22.536 24.276 21.851 206 HE2 LYS 27 HE2 LYS 27 20.286 24.089 22.815 207 HE3 LYS 27 HE3 LYS 27 20.587 22.397 23.249 208 HZ1 LYS 27 HZ1 LYS 27 22.379 23.147 24.683 209 HZ2 LYS 27 HZ2 LYS 27 22.080 24.718 24.343 210 HZ3 LYS 27 HZ3 LYS 27 20.957 23.833 25.155 211 H CYS 28 H CYS 28 22.259 24.533 17.364 212 HA CYS 28 HA CYS 28 23.388 23.817 14.821 213 HB2 CYS 28 HB2 CYS 28 22.861 26.503 16.101 214 HB3 CYS 28 HB3 CYS 28 23.221 26.232 14.407 215 H VAL 29 H VAL 29 25.265 24.919 13.801 216 HA VAL 29 HA VAL 29 27.433 25.797 15.603 217 HB VAL 29 HB VAL 29 29.126 24.410 14.619 218 HG11 VAL 29 HG11 VAL 29 28.644 22.305 15.694 219 HG12 VAL 29 HG12 VAL 29 27.986 23.623 16.675 220 HG13 VAL 29 HG13 VAL 29 26.901 22.633 15.674 221 HG21 VAL 29 HG21 VAL 29 28.205 23.901 12.394 222 HG22 VAL 29 HG22 VAL 29 28.657 22.434 13.258 223 HG23 VAL 29 HG23 VAL 29 26.951 22.892 13.145 224 HA PRO 30 HA PRO 30 27.935 28.706 12.312 225 HB2 PRO 30 HB2 PRO 30 30.152 30.048 13.089 226 HB3 PRO 30 HB3 PRO 30 28.660 30.035 14.082 227 HG2 PRO 30 HG2 PRO 30 31.122 28.278 14.400 228 HG3 PRO 30 HG3 PRO 30 30.275 29.248 15.655 229 HD2 PRO 30 HD2 PRO 30 29.794 26.576 15.279 230 HD3 PRO 30 HD3 PRO 30 28.514 27.714 15.787 231 H HIS 31 H HIS 31 30.253 26.213 12.641 232 HA HIS 31 HA HIS 31 32.011 26.904 10.459 233 HB2 HIS 31 HB2 HIS 31 31.439 24.143 11.597 234 HB3 HIS 31 HB3 HIS 31 32.877 24.644 10.719 235 HD2 HIS 31 HD2 HIS 31 31.687 24.110 14.161 236 HE1 HIS 31 HE1 HIS 31 34.650 27.123 14.657 237 HE2 HIS 31 HE2 HIS 31 33.182 25.467 15.886
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