NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
597318 | 2myh | 25452 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H CYS 1 1.807 0.001 0.856 2 HA CYS 1 HA CYS 1 1.418 -0.240 -2.048 3 HB2 CYS 1 HB2 CYS 1 3.391 1.319 -2.319 4 HB3 CYS 1 HB3 CYS 1 1.907 2.073 -1.744 5 H ALA 2 H ALA 2 3.299 -1.071 -3.194 6 HA ALA 2 HA ALA 2 4.480 -3.269 -1.809 7 HB1 ALA 2 HB1 ALA 2 4.739 -2.183 -4.592 8 HB2 ALA 2 HB2 ALA 2 5.754 -3.508 -4.022 9 HB3 ALA 2 HB3 ALA 2 4.000 -3.691 -4.053 10 H SER 3 H SER 3 6.657 -3.644 -1.338 11 HA SER 3 HA SER 3 8.163 -1.239 -0.719 12 HB2 SER 3 HB2 SER 3 7.814 -3.426 0.747 13 HB3 SER 3 HB3 SER 3 9.234 -3.968 -0.148 14 HG SER 3 HG SER 3 9.130 -2.319 1.934 15 H LYS 4 H LYS 4 10.755 -2.052 -0.841 16 HA LYS 4 HA LYS 4 11.400 -1.645 -3.560 17 HB2 LYS 4 HB2 LYS 4 12.770 -1.110 -1.422 18 HB3 LYS 4 HB3 LYS 4 13.340 -2.768 -1.560 19 HG2 LYS 4 HG2 LYS 4 13.584 -1.538 -4.106 20 HG3 LYS 4 HG3 LYS 4 14.282 -0.459 -2.895 21 HD2 LYS 4 HD2 LYS 4 15.336 -2.756 -2.047 22 HD3 LYS 4 HD3 LYS 4 15.131 -3.171 -3.750 23 HE2 LYS 4 HE2 LYS 4 16.384 -0.563 -3.023 24 HE3 LYS 4 HE3 LYS 4 17.339 -2.039 -2.895 25 HZ1 LYS 4 HZ1 LYS 4 16.241 -2.314 -5.321 26 HZ2 LYS 4 HZ2 LYS 4 17.766 -1.638 -5.043 27 HZ3 LYS 4 HZ3 LYS 4 16.421 -0.634 -5.250 28 H ASN 5 H ASN 5 11.498 -3.046 -5.180 29 HA ASN 5 HA ASN 5 11.639 -4.980 -6.368 30 HB2 ASN 5 HB2 ASN 5 13.399 -5.495 -4.025 31 HB3 ASN 5 HB3 ASN 5 12.932 -6.885 -5.000 32 HD21 ASN 5 HD21 ASN 5 15.512 -6.367 -4.922 33 HD22 ASN 5 HD22 ASN 5 16.068 -5.647 -6.391 34 H GLU 6 H GLU 6 9.433 -4.476 -4.434 35 HA GLU 6 HA GLU 6 8.650 -7.168 -3.636 36 HB2 GLU 6 HB2 GLU 6 7.723 -4.413 -3.003 37 HB3 GLU 6 HB3 GLU 6 6.537 -5.707 -2.908 38 HG2 GLU 6 HG2 GLU 6 9.161 -5.633 -1.436 39 HG3 GLU 6 HG3 GLU 6 7.584 -5.248 -0.749 40 H ARG 7 H ARG 7 6.457 -7.940 -4.150 41 HA ARG 7 HA ARG 7 5.979 -7.771 -6.965 42 HB2 ARG 7 HB2 ARG 7 4.069 -9.311 -6.456 43 HB3 ARG 7 HB3 ARG 7 5.634 -9.885 -5.897 44 HG2 ARG 7 HG2 ARG 7 4.782 -10.149 -3.875 45 HG3 ARG 7 HG3 ARG 7 4.516 -8.407 -3.780 46 HD2 ARG 7 HD2 ARG 7 2.311 -8.587 -4.545 47 HD3 ARG 7 HD3 ARG 7 2.571 -10.213 -5.176 48 HE ARG 7 HE ARG 7 1.840 -9.499 -2.503 49 HH11 ARG 7 HH11 ARG 7 3.484 -11.872 -4.450 50 HH12 ARG 7 HH12 ARG 7 3.252 -13.157 -3.311 51 HH21 ARG 7 HH21 ARG 7 1.529 -11.183 -0.996 52 HH22 ARG 7 HH22 ARG 7 2.140 -12.764 -1.347 53 H CYS 8 H CYS 8 4.850 -6.240 -7.945 54 HA CYS 8 HA CYS 8 2.661 -4.936 -6.463 55 HB2 CYS 8 HB2 CYS 8 3.107 -2.932 -7.886 56 HB3 CYS 8 HB3 CYS 8 4.437 -3.344 -6.809 57 H GLY 9 H GLY 9 1.251 -3.674 -8.258 58 HA2 GLY 9 HA2 GLY 9 0.483 -5.759 -10.206 59 HA3 GLY 9 HA3 GLY 9 -0.654 -4.667 -9.428 60 H ASN 10 H ASN 10 -0.693 -4.924 -12.140 61 HA ASN 10 HA ASN 10 -0.232 -2.224 -12.971 62 HB2 ASN 10 HB2 ASN 10 2.032 -3.323 -13.246 63 HB3 ASN 10 HB3 ASN 10 1.298 -4.354 -14.470 64 HD21 ASN 10 HD21 ASN 10 3.424 -2.294 -14.609 65 HD22 ASN 10 HD22 ASN 10 2.910 -1.198 -15.842 66 H ALA 11 H ALA 11 -2.069 -1.803 -13.989 67 HA ALA 11 HA ALA 11 -3.829 -3.717 -15.025 68 HB1 ALA 11 HB1 ALA 11 -4.707 -1.609 -14.406 69 HB2 ALA 11 HB2 ALA 11 -3.611 -0.753 -15.492 70 HB3 ALA 11 HB3 ALA 11 -4.915 -1.739 -16.152 71 H LEU 12 H LEU 12 -1.203 -1.941 -16.515 72 HA LEU 12 HA LEU 12 -1.826 -2.386 -19.209 73 HB2 LEU 12 HB2 LEU 12 0.935 -2.256 -18.014 74 HB3 LEU 12 HB3 LEU 12 0.477 -1.896 -19.677 75 HG LEU 12 HG LEU 12 -0.240 -0.278 -17.234 76 HD11 LEU 12 HD11 LEU 12 1.683 0.767 -17.569 77 HD12 LEU 12 HD12 LEU 12 1.152 1.202 -19.193 78 HD13 LEU 12 HD13 LEU 12 2.049 -0.294 -18.929 79 HD21 LEU 12 HD21 LEU 12 -1.035 -0.041 -20.120 80 HD22 LEU 12 HD22 LEU 12 -1.033 1.349 -19.033 81 HD23 LEU 12 HD23 LEU 12 -2.064 -0.040 -18.687 82 H TYR 13 H TYR 13 -0.704 -4.530 -16.776 83 HA TYR 13 HA TYR 13 -0.120 -6.574 -18.816 84 HB2 TYR 13 HB2 TYR 13 1.031 -6.093 -16.086 85 HB3 TYR 13 HB3 TYR 13 1.065 -7.707 -16.790 86 HD1 TYR 13 HD2 TYR 13 2.039 -4.184 -17.518 87 HD2 TYR 13 HD1 TYR 13 2.806 -8.311 -18.210 88 HE1 TYR 13 HE2 TYR 13 4.075 -3.591 -18.764 89 HE2 TYR 13 HE1 TYR 13 4.845 -7.730 -19.457 90 HH TYR 13 HH TYR 13 6.169 -6.099 -20.164 91 H GLY 14 H GLY 14 -2.706 -5.713 -17.494 92 HA2 GLY 14 HA2 GLY 14 -4.597 -6.698 -16.639 93 HA3 GLY 14 HA3 GLY 14 -3.985 -8.166 -17.387 94 H THR 15 H THR 15 -2.178 -6.547 -14.894 95 HA THR 15 HA THR 15 -2.771 -8.796 -13.087 96 HB THR 15 HB THR 15 -0.610 -8.518 -12.098 97 HG1 THR 15 HG1 THR 15 -0.151 -6.308 -13.831 98 HG21 THR 15 HG21 THR 15 0.458 -9.565 -13.762 99 HG22 THR 15 HG22 THR 15 0.395 -8.141 -14.800 100 HG23 THR 15 HG23 THR 15 -0.974 -9.251 -14.742 101 H LYS 16 H LYS 16 -3.825 -8.380 -11.264 102 HA LYS 16 HA LYS 16 -4.229 -5.594 -10.471 103 HB2 LYS 16 HB2 LYS 16 -6.314 -6.543 -10.481 104 HB3 LYS 16 HB3 LYS 16 -5.707 -8.141 -10.068 105 HG2 LYS 16 HG2 LYS 16 -5.776 -7.743 -7.824 106 HG3 LYS 16 HG3 LYS 16 -5.536 -6.005 -8.012 107 HD2 LYS 16 HD2 LYS 16 -7.734 -5.892 -7.539 108 HD3 LYS 16 HD3 LYS 16 -7.933 -6.329 -9.238 109 HE2 LYS 16 HE2 LYS 16 -7.634 -8.477 -7.184 110 HE3 LYS 16 HE3 LYS 16 -9.187 -7.663 -7.370 111 HZ1 LYS 16 HZ1 LYS 16 -8.451 -8.262 -9.921 112 HZ2 LYS 16 HZ2 LYS 16 -9.565 -9.124 -8.985 113 HZ3 LYS 16 HZ3 LYS 16 -7.949 -9.622 -9.049 114 H GLY 17 H GLY 17 -2.785 -4.807 -9.081 115 HA2 GLY 17 HA2 GLY 17 -2.346 -6.158 -6.565 116 HA3 GLY 17 HA3 GLY 17 -0.915 -6.064 -7.580 117 HA PRO 18 HA PRO 18 -1.470 -2.174 -4.961 118 HB2 PRO 18 HB2 PRO 18 0.747 -2.494 -3.427 119 HB3 PRO 18 HB3 PRO 18 -0.835 -3.141 -2.976 120 HG2 PRO 18 HG2 PRO 18 1.489 -4.536 -4.247 121 HG3 PRO 18 HG3 PRO 18 0.426 -5.094 -2.942 122 HD2 PRO 18 HD2 PRO 18 0.133 -5.907 -5.508 123 HD3 PRO 18 HD3 PRO 18 -1.243 -5.725 -4.401 124 H GLY 19 H GLY 19 -0.015 -0.325 -4.934 125 HA2 GLY 19 HA2 GLY 19 1.797 -0.387 -7.242 126 HA3 GLY 19 HA3 GLY 19 1.086 1.054 -6.531 127 H CYS 20 H CYS 20 3.871 0.547 -7.177 128 HA CYS 20 HA CYS 20 5.379 -0.067 -4.879 129 HB2 CYS 20 HB2 CYS 20 6.169 1.732 -7.179 130 HB3 CYS 20 HB3 CYS 20 7.262 0.928 -6.057 131 H CYS 21 H CYS 21 6.038 1.114 -3.174 132 HA CYS 21 HA CYS 21 4.672 3.391 -2.368 133 HB2 CYS 21 HB2 CYS 21 7.373 2.341 -1.511 134 HB3 CYS 21 HB3 CYS 21 6.534 3.654 -0.692 135 H ASN 22 H ASN 22 7.966 3.166 -3.704 136 HA ASN 22 HA ASN 22 7.666 5.753 -4.955 137 HB2 ASN 22 HB2 ASN 22 9.724 5.306 -2.783 138 HB3 ASN 22 HB3 ASN 22 9.736 6.671 -3.895 139 HD21 ASN 22 HD21 ASN 22 8.969 5.824 -0.877 140 HD22 ASN 22 HD22 ASN 22 7.694 6.943 -0.549 141 H GLY 23 H GLY 23 8.138 4.991 -6.947 142 HA2 GLY 23 HA2 GLY 23 10.649 4.755 -7.933 143 HA3 GLY 23 HA3 GLY 23 10.298 3.124 -7.381 144 H LYS 24 H LYS 24 9.866 1.914 -9.099 145 HA LYS 24 HA LYS 24 7.633 2.592 -10.793 146 HB2 LYS 24 HB2 LYS 24 10.455 2.617 -11.809 147 HB3 LYS 24 HB3 LYS 24 9.144 2.122 -12.871 148 HG2 LYS 24 HG2 LYS 24 8.035 4.339 -12.194 149 HG3 LYS 24 HG3 LYS 24 9.640 4.793 -11.615 150 HD2 LYS 24 HD2 LYS 24 10.553 4.326 -13.855 151 HD3 LYS 24 HD3 LYS 24 8.927 3.939 -14.421 152 HE2 LYS 24 HE2 LYS 24 9.774 6.598 -13.275 153 HE3 LYS 24 HE3 LYS 24 9.639 6.238 -14.996 154 HZ1 LYS 24 HZ1 LYS 24 7.513 6.544 -12.991 155 HZ2 LYS 24 HZ2 LYS 24 7.241 5.549 -14.331 156 HZ3 LYS 24 HZ3 LYS 24 7.614 7.183 -14.555 157 H CYS 25 H CYS 25 6.575 0.796 -11.372 158 HA CYS 25 HA CYS 25 7.530 -1.753 -10.502 159 HB2 CYS 25 HB2 CYS 25 5.055 -0.760 -11.866 160 HB3 CYS 25 HB3 CYS 25 5.386 -2.489 -11.831 161 H ILE 26 H ILE 26 8.092 -3.547 -11.733 162 HA ILE 26 HA ILE 26 8.617 -3.046 -14.587 163 HB ILE 26 HB ILE 26 10.460 -4.447 -12.648 164 HG12 ILE 26 HG12 ILE 26 10.556 -2.005 -12.486 165 HG13 ILE 26 HG13 ILE 26 12.029 -2.636 -13.213 166 HG21 ILE 26 HG21 ILE 26 11.810 -4.099 -15.029 167 HG22 ILE 26 HG22 ILE 26 11.132 -5.611 -14.426 168 HG23 ILE 26 HG23 ILE 26 10.199 -4.607 -15.535 169 HD11 ILE 26 HD11 ILE 26 10.248 -0.680 -14.220 170 HD12 ILE 26 HD12 ILE 26 11.744 -1.284 -14.933 171 HD13 ILE 26 HD13 ILE 26 10.210 -2.070 -15.303 172 H CYS 27 H CYS 27 6.997 -4.263 -15.432 173 HA CYS 27 HA CYS 27 6.443 -6.918 -14.421 174 HB2 CYS 27 HB2 CYS 27 5.258 -5.202 -16.589 175 HB3 CYS 27 HB3 CYS 27 4.834 -6.905 -16.447 176 H ARG 28 H ARG 28 7.059 -8.815 -15.300 177 HA ARG 28 HA ARG 28 8.504 -8.750 -17.862 178 HB2 ARG 28 HB2 ARG 28 9.339 -10.355 -15.440 179 HB3 ARG 28 HB3 ARG 28 10.163 -10.297 -16.992 180 HG2 ARG 28 HG2 ARG 28 10.085 -7.660 -16.294 181 HG3 ARG 28 HG3 ARG 28 10.280 -8.456 -14.731 182 HD2 ARG 28 HD2 ARG 28 12.348 -9.257 -15.243 183 HD3 ARG 28 HD3 ARG 28 11.982 -9.408 -16.961 184 HE ARG 28 HE ARG 28 12.085 -6.683 -16.205 185 HH11 ARG 28 HH11 ARG 28 14.121 -9.440 -16.817 186 HH12 ARG 28 HH12 ARG 28 15.489 -8.489 -17.292 187 HH21 ARG 28 HH21 ARG 28 13.879 -5.419 -16.828 188 HH22 ARG 28 HH22 ARG 28 15.350 -6.202 -17.297 189 H THR 29 H THR 29 8.426 -10.669 -19.093 190 HA THR 29 HA THR 29 6.700 -12.826 -18.160 191 HB THR 29 HB THR 29 6.082 -11.761 -20.879 192 HG1 THR 29 HG1 THR 29 4.539 -10.347 -19.952 193 HG21 THR 29 HG21 THR 29 4.430 -13.253 -20.750 194 HG22 THR 29 HG22 THR 29 3.858 -12.560 -19.232 195 HG23 THR 29 HG23 THR 29 5.112 -13.800 -19.219 196 H VAL 30 H VAL 30 7.772 -14.635 -18.566 197 HA VAL 30 HA VAL 30 8.759 -15.256 -21.178 198 HB VAL 30 HB VAL 30 10.613 -13.843 -20.224 199 HG11 VAL 30 HG11 VAL 30 10.451 -14.558 -17.904 200 HG12 VAL 30 HG12 VAL 30 10.922 -16.196 -18.361 201 HG13 VAL 30 HG13 VAL 30 12.067 -14.866 -18.537 202 HG21 VAL 30 HG21 VAL 30 11.193 -16.722 -20.906 203 HG22 VAL 30 HG22 VAL 30 11.064 -15.369 -22.030 204 HG23 VAL 30 HG23 VAL 30 12.400 -15.437 -20.882 205 HA PRO 31 HA PRO 31 7.580 -19.300 -19.905 206 HB2 PRO 31 HB2 PRO 31 9.926 -20.096 -21.567 207 HB3 PRO 31 HB3 PRO 31 8.259 -20.680 -21.621 208 HG2 PRO 31 HG2 PRO 31 9.197 -18.962 -23.451 209 HG3 PRO 31 HG3 PRO 31 7.525 -18.878 -22.865 210 HD2 PRO 31 HD2 PRO 31 9.823 -17.110 -22.295 211 HD3 PRO 31 HD3 PRO 31 8.085 -16.747 -22.324 212 H ARG 32 H ARG 32 10.848 -18.101 -19.618 213 HA ARG 32 HA ARG 32 11.823 -20.273 -18.030 214 HB2 ARG 32 HB2 ARG 32 12.840 -17.582 -18.827 215 HB3 ARG 32 HB3 ARG 32 13.596 -18.391 -17.461 216 HG2 ARG 32 HG2 ARG 32 13.522 -20.377 -19.338 217 HG3 ARG 32 HG3 ARG 32 13.806 -18.936 -20.317 218 HD2 ARG 32 HD2 ARG 32 15.489 -18.619 -18.139 219 HD3 ARG 32 HD3 ARG 32 15.590 -20.339 -18.511 220 HE ARG 32 HE ARG 32 16.715 -18.214 -20.012 221 HH11 ARG 32 HH11 ARG 32 15.180 -21.320 -20.353 222 HH12 ARG 32 HH12 ARG 32 15.954 -21.682 -21.861 223 HH21 ARG 32 HH21 ARG 32 17.740 -18.679 -21.996 224 HH22 ARG 32 HH22 ARG 32 17.410 -20.180 -22.794 225 H LYS 33 H LYS 33 9.750 -20.085 -16.666 226 HA LYS 33 HA LYS 33 8.753 -19.635 -14.670 227 HB2 LYS 33 HB2 LYS 33 11.665 -19.238 -14.069 228 HB3 LYS 33 HB3 LYS 33 10.460 -18.911 -12.830 229 HG2 LYS 33 HG2 LYS 33 9.652 -21.193 -12.975 230 HG3 LYS 33 HG3 LYS 33 10.797 -21.532 -14.276 231 HD2 LYS 33 HD2 LYS 33 12.247 -22.165 -12.708 232 HD3 LYS 33 HD3 LYS 33 12.347 -20.473 -12.217 233 HE2 LYS 33 HE2 LYS 33 11.849 -21.806 -10.284 234 HE3 LYS 33 HE3 LYS 33 10.421 -20.859 -10.698 235 HZ1 LYS 33 HZ1 LYS 33 9.610 -22.981 -10.271 236 HZ2 LYS 33 HZ2 LYS 33 10.880 -23.751 -11.081 237 HZ3 LYS 33 HZ3 LYS 33 9.691 -22.930 -11.960 238 H GLY 34 H GLY 34 8.355 -17.627 -16.431 239 HA2 GLY 34 HA2 GLY 34 8.487 -15.245 -14.696 240 HA3 GLY 34 HA3 GLY 34 8.885 -15.132 -16.404 241 H VAL 35 H VAL 35 6.258 -16.416 -14.359 242 HA VAL 35 HA VAL 35 4.296 -15.904 -16.403 243 HB VAL 35 HB VAL 35 3.966 -17.817 -14.969 244 HG11 VAL 35 HG11 VAL 35 3.179 -16.779 -12.501 245 HG12 VAL 35 HG12 VAL 35 4.636 -17.712 -12.851 246 HG13 VAL 35 HG13 VAL 35 4.684 -15.949 -12.895 247 HG21 VAL 35 HG21 VAL 35 1.786 -16.256 -13.842 248 HG22 VAL 35 HG22 VAL 35 2.041 -15.931 -15.556 249 HG23 VAL 35 HG23 VAL 35 1.745 -17.580 -15.007 250 H ASN 36 H ASN 36 4.896 -13.564 -16.514 251 HA ASN 36 HA ASN 36 4.375 -11.375 -16.183 252 HB2 ASN 36 HB2 ASN 36 2.056 -12.495 -14.592 253 HB3 ASN 36 HB3 ASN 36 2.185 -10.853 -15.215 254 HD21 ASN 36 HD21 ASN 36 1.066 -10.513 -16.978 255 HD22 ASN 36 HD22 ASN 36 0.710 -11.675 -18.206 256 H SER 37 H SER 37 6.414 -11.842 -14.735 257 HA SER 37 HA SER 37 5.919 -11.443 -11.905 258 HB2 SER 37 HB2 SER 37 7.737 -12.856 -12.169 259 HB3 SER 37 HB3 SER 37 8.335 -11.993 -13.586 260 HG SER 37 HG SER 37 8.777 -11.516 -10.896 261 H CYS 38 H CYS 38 5.292 -9.446 -11.362 262 HA CYS 38 HA CYS 38 6.689 -7.156 -12.566 263 HB2 CYS 38 HB2 CYS 38 4.046 -7.257 -11.097 264 HB3 CYS 38 HB3 CYS 38 4.775 -5.807 -11.779 265 H ARG 39 H ARG 39 8.440 -6.745 -11.341 266 HA ARG 39 HA ARG 39 8.109 -6.654 -8.421 267 HB2 ARG 39 HB2 ARG 39 10.668 -6.724 -10.030 268 HB3 ARG 39 HB3 ARG 39 10.533 -6.825 -8.280 269 HG2 ARG 39 HG2 ARG 39 9.429 -8.846 -10.220 270 HG3 ARG 39 HG3 ARG 39 10.944 -9.005 -9.330 271 HD2 ARG 39 HD2 ARG 39 9.785 -9.955 -7.687 272 HD3 ARG 39 HD3 ARG 39 9.030 -8.388 -7.400 273 HE ARG 39 HE ARG 39 7.508 -9.402 -9.365 274 HH11 ARG 39 HH11 ARG 39 8.617 -10.730 -6.344 275 HH12 ARG 39 HH12 ARG 39 7.232 -11.748 -6.133 276 HH21 ARG 39 HH21 ARG 39 5.679 -10.739 -9.099 277 HH22 ARG 39 HH22 ARG 39 5.561 -11.754 -7.701 278 H CYS 40 H CYS 40 8.841 -4.863 -7.238 279 HA CYS 40 HA CYS 40 8.562 -2.353 -8.616 280 HB2 CYS 40 HB2 CYS 40 8.824 -3.210 -5.765 281 HB3 CYS 40 HB3 CYS 40 9.159 -1.531 -6.175 282 H MET 41 H MET 41 10.202 -1.502 -9.708 283 HA MET 41 HA MET 41 12.946 -2.037 -8.876 284 HB2 MET 41 HB2 MET 41 12.558 -2.342 -11.212 285 HB3 MET 41 HB3 MET 41 11.760 -0.781 -11.348 286 HG2 MET 41 HG2 MET 41 13.701 0.360 -11.472 287 HG3 MET 41 HG3 MET 41 14.544 -0.740 -10.383 288 HE1 MET 41 HE1 MET 41 16.076 -2.205 -10.876 289 HE2 MET 41 HE2 MET 41 15.243 -3.555 -11.646 290 HE3 MET 41 HE3 MET 41 16.625 -2.802 -12.442 Start of MODEL 2 1 H1 CYS 1 H CYS 1 1.698 1.233 1.204 2 HA CYS 1 HA CYS 1 1.691 0.128 -1.319 3 HB2 CYS 1 HB2 CYS 1 3.647 1.610 -1.790 4 HB3 CYS 1 HB3 CYS 1 2.312 2.433 -0.989 5 H ALA 2 H ALA 2 3.500 -0.739 -2.597 6 HA ALA 2 HA ALA 2 4.697 -2.977 -1.242 7 HB1 ALA 2 HB1 ALA 2 4.571 -2.050 -4.081 8 HB2 ALA 2 HB2 ALA 2 5.712 -3.310 -3.609 9 HB3 ALA 2 HB3 ALA 2 3.982 -3.550 -3.363 10 H SER 3 H SER 3 6.872 -3.385 -0.922 11 HA SER 3 HA SER 3 8.523 -1.048 -0.575 12 HB2 SER 3 HB2 SER 3 8.461 -2.935 1.069 13 HB3 SER 3 HB3 SER 3 9.256 -3.951 -0.133 14 HG SER 3 HG SER 3 10.282 -1.908 1.429 15 H LYS 4 H LYS 4 10.984 -1.482 -1.159 16 HA LYS 4 HA LYS 4 11.176 -1.292 -3.958 17 HB2 LYS 4 HB2 LYS 4 13.559 -1.175 -3.635 18 HB3 LYS 4 HB3 LYS 4 12.777 -0.280 -2.339 19 HG2 LYS 4 HG2 LYS 4 14.124 -1.425 -0.984 20 HG3 LYS 4 HG3 LYS 4 13.015 -2.773 -1.248 21 HD2 LYS 4 HD2 LYS 4 14.959 -3.808 -1.822 22 HD3 LYS 4 HD3 LYS 4 14.557 -3.106 -3.391 23 HE2 LYS 4 HE2 LYS 4 16.084 -1.356 -1.587 24 HE3 LYS 4 HE3 LYS 4 16.940 -2.798 -2.132 25 HZ1 LYS 4 HZ1 LYS 4 15.644 -0.785 -3.891 26 HZ2 LYS 4 HZ2 LYS 4 16.457 -2.171 -4.418 27 HZ3 LYS 4 HZ3 LYS 4 17.307 -0.942 -3.627 28 H ASN 5 H ASN 5 11.440 -2.768 -5.512 29 HA ASN 5 HA ASN 5 11.752 -4.756 -6.574 30 HB2 ASN 5 HB2 ASN 5 13.924 -4.639 -5.179 31 HB3 ASN 5 HB3 ASN 5 13.146 -5.819 -4.128 32 HD21 ASN 5 HD21 ASN 5 14.818 -7.283 -4.669 33 HD22 ASN 5 HD22 ASN 5 14.793 -8.138 -6.171 34 H GLU 6 H GLU 6 9.652 -4.240 -4.333 35 HA GLU 6 HA GLU 6 8.935 -6.945 -3.580 36 HB2 GLU 6 HB2 GLU 6 8.600 -4.656 -2.270 37 HB3 GLU 6 HB3 GLU 6 7.084 -4.648 -3.158 38 HG2 GLU 6 HG2 GLU 6 6.894 -5.631 -0.908 39 HG3 GLU 6 HG3 GLU 6 6.438 -6.745 -2.196 40 H ARG 7 H ARG 7 6.609 -7.631 -3.904 41 HA ARG 7 HA ARG 7 6.054 -7.641 -6.710 42 HB2 ARG 7 HB2 ARG 7 4.600 -8.804 -4.335 43 HB3 ARG 7 HB3 ARG 7 4.043 -9.000 -5.991 44 HG2 ARG 7 HG2 ARG 7 6.639 -9.798 -6.186 45 HG3 ARG 7 HG3 ARG 7 6.211 -10.340 -4.562 46 HD2 ARG 7 HD2 ARG 7 4.202 -10.881 -6.642 47 HD3 ARG 7 HD3 ARG 7 5.726 -11.748 -6.826 48 HE ARG 7 HE ARG 7 4.841 -11.970 -4.165 49 HH11 ARG 7 HH11 ARG 7 4.050 -13.072 -7.372 50 HH12 ARG 7 HH12 ARG 7 3.327 -14.549 -6.827 51 HH21 ARG 7 HH21 ARG 7 3.892 -13.911 -3.435 52 HH22 ARG 7 HH22 ARG 7 3.237 -15.025 -4.587 53 H CYS 8 H CYS 8 4.838 -6.261 -7.813 54 HA CYS 8 HA CYS 8 2.789 -4.716 -6.367 55 HB2 CYS 8 HB2 CYS 8 3.336 -2.745 -7.601 56 HB3 CYS 8 HB3 CYS 8 4.845 -3.376 -6.949 57 H GLY 9 H GLY 9 1.215 -3.666 -7.982 58 HA2 GLY 9 HA2 GLY 9 0.488 -5.731 -9.959 59 HA3 GLY 9 HA3 GLY 9 -0.659 -4.688 -9.132 60 H ASN 10 H ASN 10 -0.831 -4.902 -11.824 61 HA ASN 10 HA ASN 10 -0.460 -2.188 -12.653 62 HB2 ASN 10 HB2 ASN 10 1.804 -3.178 -13.067 63 HB3 ASN 10 HB3 ASN 10 1.054 -4.304 -14.195 64 HD21 ASN 10 HD21 ASN 10 3.080 -2.493 -14.872 65 HD22 ASN 10 HD22 ASN 10 2.436 -1.356 -16.002 66 H ALA 11 H ALA 11 -2.408 -1.835 -13.484 67 HA ALA 11 HA ALA 11 -4.142 -3.781 -14.495 68 HB1 ALA 11 HB1 ALA 11 -5.510 -1.938 -15.278 69 HB2 ALA 11 HB2 ALA 11 -4.874 -1.585 -13.671 70 HB3 ALA 11 HB3 ALA 11 -4.155 -0.825 -15.090 71 H LEU 12 H LEU 12 -1.712 -1.809 -16.075 72 HA LEU 12 HA LEU 12 -2.492 -2.196 -18.739 73 HB2 LEU 12 HB2 LEU 12 0.339 -1.944 -17.748 74 HB3 LEU 12 HB3 LEU 12 -0.280 -1.519 -19.343 75 HG LEU 12 HG LEU 12 -0.817 -0.086 -16.744 76 HD11 LEU 12 HD11 LEU 12 1.362 0.400 -17.646 77 HD12 LEU 12 HD12 LEU 12 0.301 1.783 -17.911 78 HD13 LEU 12 HD13 LEU 12 0.676 0.692 -19.244 79 HD21 LEU 12 HD21 LEU 12 -2.715 0.629 -17.649 80 HD22 LEU 12 HD22 LEU 12 -2.370 -0.201 -19.167 81 HD23 LEU 12 HD23 LEU 12 -1.754 1.429 -18.893 82 H TYR 13 H TYR 13 -0.953 -4.306 -16.477 83 HA TYR 13 HA TYR 13 -0.355 -6.231 -18.620 84 HB2 TYR 13 HB2 TYR 13 0.851 -5.685 -15.958 85 HB3 TYR 13 HB3 TYR 13 0.820 -7.361 -16.496 86 HD1 TYR 13 HD1 TYR 13 1.969 -3.960 -17.438 87 HD2 TYR 13 HD2 TYR 13 2.375 -8.147 -18.080 88 HE1 TYR 13 HE1 TYR 13 3.973 -3.550 -18.804 89 HE2 TYR 13 HE2 TYR 13 4.381 -7.748 -19.447 90 HH TYR 13 HH TYR 13 6.171 -5.235 -19.398 91 H GLY 14 H GLY 14 -2.951 -5.561 -17.088 92 HA2 GLY 14 HA2 GLY 14 -4.779 -6.717 -16.319 93 HA3 GLY 14 HA3 GLY 14 -4.106 -8.095 -17.177 94 H THR 15 H THR 15 -2.482 -6.464 -14.532 95 HA THR 15 HA THR 15 -2.917 -8.863 -12.875 96 HB THR 15 HB THR 15 -0.686 -8.209 -11.799 97 HG1 THR 15 HG1 THR 15 0.256 -6.507 -12.608 98 HG21 THR 15 HG21 THR 15 -1.175 -10.078 -13.520 99 HG22 THR 15 HG22 THR 15 0.501 -9.603 -13.243 100 HG23 THR 15 HG23 THR 15 -0.358 -9.018 -14.668 101 H LYS 16 H LYS 16 -3.922 -8.532 -11.008 102 HA LYS 16 HA LYS 16 -4.282 -5.790 -10.061 103 HB2 LYS 16 HB2 LYS 16 -5.693 -8.387 -9.499 104 HB3 LYS 16 HB3 LYS 16 -5.928 -6.980 -8.470 105 HG2 LYS 16 HG2 LYS 16 -6.569 -5.719 -10.566 106 HG3 LYS 16 HG3 LYS 16 -6.613 -7.286 -11.377 107 HD2 LYS 16 HD2 LYS 16 -8.071 -7.607 -9.003 108 HD3 LYS 16 HD3 LYS 16 -8.577 -6.055 -9.673 109 HE2 LYS 16 HE2 LYS 16 -8.678 -7.444 -11.911 110 HE3 LYS 16 HE3 LYS 16 -8.854 -8.799 -10.798 111 HZ1 LYS 16 HZ1 LYS 16 -10.597 -6.972 -9.824 112 HZ2 LYS 16 HZ2 LYS 16 -11.006 -8.277 -10.819 113 HZ3 LYS 16 HZ3 LYS 16 -10.741 -6.749 -11.495 114 H GLY 17 H GLY 17 -2.512 -5.213 -8.900 115 HA2 GLY 17 HA2 GLY 17 -2.046 -6.716 -6.427 116 HA3 GLY 17 HA3 GLY 17 -0.673 -6.422 -7.484 117 HA PRO 18 HA PRO 18 -1.304 -2.882 -4.434 118 HB2 PRO 18 HB2 PRO 18 1.041 -3.192 -3.100 119 HB3 PRO 18 HB3 PRO 18 -0.453 -4.006 -2.619 120 HG2 PRO 18 HG2 PRO 18 1.860 -5.067 -4.196 121 HG3 PRO 18 HG3 PRO 18 0.942 -5.846 -2.894 122 HD2 PRO 18 HD2 PRO 18 0.512 -6.395 -5.511 123 HD3 PRO 18 HD3 PRO 18 -0.785 -6.444 -4.299 124 H GLY 19 H GLY 19 -0.247 -0.882 -4.543 125 HA2 GLY 19 HA2 GLY 19 1.516 -0.600 -6.853 126 HA3 GLY 19 HA3 GLY 19 0.690 0.701 -6.010 127 H CYS 20 H CYS 20 3.558 0.240 -6.817 128 HA CYS 20 HA CYS 20 5.121 -0.182 -4.513 129 HB2 CYS 20 HB2 CYS 20 5.767 1.409 -7.004 130 HB3 CYS 20 HB3 CYS 20 6.941 0.884 -5.802 131 H CYS 21 H CYS 21 6.071 1.229 -3.064 132 HA CYS 21 HA CYS 21 4.607 3.364 -2.122 133 HB2 CYS 21 HB2 CYS 21 7.544 2.735 -1.836 134 HB3 CYS 21 HB3 CYS 21 6.766 4.054 -0.969 135 H ASN 22 H ASN 22 7.600 3.557 -4.054 136 HA ASN 22 HA ASN 22 6.626 5.804 -5.535 137 HB2 ASN 22 HB2 ASN 22 8.528 7.319 -4.785 138 HB3 ASN 22 HB3 ASN 22 7.209 7.106 -3.637 139 HD21 ASN 22 HD21 ASN 22 10.504 7.057 -4.049 140 HD22 ASN 22 HD22 ASN 22 10.946 6.225 -2.600 141 H GLY 23 H GLY 23 7.527 5.764 -7.496 142 HA2 GLY 23 HA2 GLY 23 9.923 5.708 -8.498 143 HA3 GLY 23 HA3 GLY 23 9.895 4.066 -7.873 144 H LYS 24 H LYS 24 9.331 2.550 -9.273 145 HA LYS 24 HA LYS 24 7.168 2.901 -11.121 146 HB2 LYS 24 HB2 LYS 24 8.935 4.065 -12.353 147 HB3 LYS 24 HB3 LYS 24 9.979 2.656 -12.210 148 HG2 LYS 24 HG2 LYS 24 9.004 1.613 -13.927 149 HG3 LYS 24 HG3 LYS 24 7.381 2.078 -13.413 150 HD2 LYS 24 HD2 LYS 24 7.433 3.382 -15.248 151 HD3 LYS 24 HD3 LYS 24 8.372 4.470 -14.223 152 HE2 LYS 24 HE2 LYS 24 9.678 2.316 -15.856 153 HE3 LYS 24 HE3 LYS 24 9.304 3.896 -16.541 154 HZ1 LYS 24 HZ1 LYS 24 10.725 4.950 -14.997 155 HZ2 LYS 24 HZ2 LYS 24 11.598 3.642 -15.619 156 HZ3 LYS 24 HZ3 LYS 24 10.911 3.544 -14.076 157 H CYS 25 H CYS 25 6.470 0.955 -12.033 158 HA CYS 25 HA CYS 25 7.545 -1.421 -10.715 159 HB2 CYS 25 HB2 CYS 25 4.930 -0.679 -11.934 160 HB3 CYS 25 HB3 CYS 25 5.384 -2.380 -11.950 161 H ILE 26 H ILE 26 8.389 -3.152 -11.780 162 HA ILE 26 HA ILE 26 8.760 -2.846 -14.689 163 HB ILE 26 HB ILE 26 10.776 -4.439 -14.203 164 HG12 ILE 26 HG12 ILE 26 10.637 -2.995 -11.558 165 HG13 ILE 26 HG13 ILE 26 10.049 -4.641 -11.764 166 HG21 ILE 26 HG21 ILE 26 10.504 -1.512 -14.011 167 HG22 ILE 26 HG22 ILE 26 12.023 -2.184 -13.422 168 HG23 ILE 26 HG23 ILE 26 11.506 -2.493 -15.079 169 HD11 ILE 26 HD11 ILE 26 12.346 -4.468 -10.839 170 HD12 ILE 26 HD12 ILE 26 12.232 -5.420 -12.319 171 HD13 ILE 26 HD13 ILE 26 12.861 -3.774 -12.376 172 H CYS 27 H CYS 27 7.182 -4.109 -15.525 173 HA CYS 27 HA CYS 27 6.638 -6.732 -14.408 174 HB2 CYS 27 HB2 CYS 27 5.425 -5.174 -16.692 175 HB3 CYS 27 HB3 CYS 27 4.947 -6.822 -16.299 176 H ARG 28 H ARG 28 7.136 -8.671 -15.328 177 HA ARG 28 HA ARG 28 8.643 -8.630 -17.854 178 HB2 ARG 28 HB2 ARG 28 10.252 -8.809 -16.031 179 HB3 ARG 28 HB3 ARG 28 9.364 -10.168 -15.354 180 HG2 ARG 28 HG2 ARG 28 9.974 -11.585 -17.137 181 HG3 ARG 28 HG3 ARG 28 10.559 -10.231 -18.107 182 HD2 ARG 28 HD2 ARG 28 12.248 -9.847 -16.231 183 HD3 ARG 28 HD3 ARG 28 11.791 -11.448 -15.653 184 HE ARG 28 HE ARG 28 12.481 -11.498 -18.410 185 HH11 ARG 28 HH11 ARG 28 13.838 -11.368 -15.207 186 HH12 ARG 28 HH12 ARG 28 15.333 -12.112 -15.668 187 HH21 ARG 28 HH21 ARG 28 14.445 -12.479 -19.030 188 HH22 ARG 28 HH22 ARG 28 15.678 -12.743 -17.844 189 H THR 29 H THR 29 8.599 -10.605 -19.055 190 HA THR 29 HA THR 29 6.708 -12.653 -18.206 191 HB THR 29 HB THR 29 6.327 -11.527 -20.956 192 HG1 THR 29 HG1 THR 29 5.330 -9.824 -20.197 193 HG21 THR 29 HG21 THR 29 4.967 -13.398 -19.141 194 HG22 THR 29 HG22 THR 29 4.988 -13.341 -20.904 195 HG23 THR 29 HG23 THR 29 3.898 -12.290 -20.001 196 H VAL 30 H VAL 30 8.027 -14.367 -18.332 197 HA VAL 30 HA VAL 30 9.031 -15.148 -20.933 198 HB VAL 30 HB VAL 30 11.323 -15.663 -19.943 199 HG11 VAL 30 HG11 VAL 30 12.188 -13.694 -20.775 200 HG12 VAL 30 HG12 VAL 30 10.585 -13.717 -21.512 201 HG13 VAL 30 HG13 VAL 30 10.891 -12.712 -20.095 202 HG21 VAL 30 HG21 VAL 30 10.356 -13.662 -17.904 203 HG22 VAL 30 HG22 VAL 30 10.817 -15.337 -17.604 204 HG23 VAL 30 HG23 VAL 30 12.035 -14.164 -18.105 205 HA PRO 31 HA PRO 31 7.701 -19.137 -19.645 206 HB2 PRO 31 HB2 PRO 31 10.168 -20.023 -21.070 207 HB3 PRO 31 HB3 PRO 31 8.501 -20.583 -21.250 208 HG2 PRO 31 HG2 PRO 31 9.625 -18.941 -23.046 209 HG3 PRO 31 HG3 PRO 31 7.911 -18.812 -22.610 210 HD2 PRO 31 HD2 PRO 31 10.181 -17.061 -21.899 211 HD3 PRO 31 HD3 PRO 31 8.460 -16.673 -22.090 212 H ARG 32 H ARG 32 10.999 -18.042 -19.169 213 HA ARG 32 HA ARG 32 11.761 -20.154 -17.406 214 HB2 ARG 32 HB2 ARG 32 12.927 -17.527 -18.218 215 HB3 ARG 32 HB3 ARG 32 13.551 -18.317 -16.776 216 HG2 ARG 32 HG2 ARG 32 14.020 -20.331 -18.133 217 HG3 ARG 32 HG3 ARG 32 13.497 -19.444 -19.566 218 HD2 ARG 32 HD2 ARG 32 15.582 -18.233 -17.821 219 HD3 ARG 32 HD3 ARG 32 16.040 -19.572 -18.873 220 HE ARG 32 HE ARG 32 15.430 -16.885 -19.662 221 HH11 ARG 32 HH11 ARG 32 15.456 -20.212 -20.686 222 HH12 ARG 32 HH12 ARG 32 15.583 -19.829 -22.371 223 HH21 ARG 32 HH21 ARG 32 15.596 -16.367 -21.877 224 HH22 ARG 32 HH22 ARG 32 15.663 -17.641 -23.048 225 H LYS 33 H LYS 33 9.692 -19.955 -16.139 226 HA LYS 33 HA LYS 33 8.520 -19.341 -14.280 227 HB2 LYS 33 HB2 LYS 33 11.392 -19.047 -13.468 228 HB3 LYS 33 HB3 LYS 33 10.113 -18.628 -12.336 229 HG2 LYS 33 HG2 LYS 33 9.237 -20.862 -12.414 230 HG3 LYS 33 HG3 LYS 33 10.377 -21.306 -13.686 231 HD2 LYS 33 HD2 LYS 33 11.800 -21.948 -12.102 232 HD3 LYS 33 HD3 LYS 33 11.928 -20.261 -11.597 233 HE2 LYS 33 HE2 LYS 33 9.575 -21.773 -10.630 234 HE3 LYS 33 HE3 LYS 33 11.140 -22.228 -9.958 235 HZ1 LYS 33 HZ1 LYS 33 9.902 -19.531 -9.906 236 HZ2 LYS 33 HZ2 LYS 33 11.477 -19.863 -9.389 237 HZ3 LYS 33 HZ3 LYS 33 10.159 -20.555 -8.585 238 H GLY 34 H GLY 34 8.311 -17.386 -16.110 239 HA2 GLY 34 HA2 GLY 34 8.448 -14.949 -14.453 240 HA3 GLY 34 HA3 GLY 34 8.945 -14.915 -16.138 241 H VAL 35 H VAL 35 6.153 -16.126 -14.274 242 HA VAL 35 HA VAL 35 4.351 -15.491 -16.432 243 HB VAL 35 HB VAL 35 3.790 -16.457 -13.624 244 HG11 VAL 35 HG11 VAL 35 2.033 -15.547 -15.773 245 HG12 VAL 35 HG12 VAL 35 1.635 -17.154 -15.163 246 HG13 VAL 35 HG13 VAL 35 1.700 -15.782 -14.057 247 HG21 VAL 35 HG21 VAL 35 4.823 -17.790 -15.888 248 HG22 VAL 35 HG22 VAL 35 4.310 -18.490 -14.353 249 HG23 VAL 35 HG23 VAL 35 3.158 -18.336 -15.679 250 H ASN 36 H ASN 36 4.928 -13.173 -16.454 251 HA ASN 36 HA ASN 36 4.355 -10.998 -16.115 252 HB2 ASN 36 HB2 ASN 36 2.025 -12.261 -15.900 253 HB3 ASN 36 HB3 ASN 36 2.156 -11.715 -14.231 254 HD21 ASN 36 HD21 ASN 36 1.286 -10.891 -17.372 255 HD22 ASN 36 HD22 ASN 36 1.043 -9.198 -17.130 256 H SER 37 H SER 37 6.456 -11.474 -14.754 257 HA SER 37 HA SER 37 6.086 -11.113 -11.903 258 HB2 SER 37 HB2 SER 37 7.932 -12.446 -12.190 259 HB3 SER 37 HB3 SER 37 8.388 -11.672 -13.708 260 HG SER 37 HG SER 37 9.842 -10.800 -12.429 261 H CYS 38 H CYS 38 5.383 -9.127 -11.367 262 HA CYS 38 HA CYS 38 6.783 -6.805 -12.514 263 HB2 CYS 38 HB2 CYS 38 4.090 -6.884 -11.136 264 HB3 CYS 38 HB3 CYS 38 4.826 -5.482 -11.907 265 H ARG 39 H ARG 39 8.433 -6.297 -11.209 266 HA ARG 39 HA ARG 39 7.952 -6.248 -8.305 267 HB2 ARG 39 HB2 ARG 39 10.596 -6.309 -9.770 268 HB3 ARG 39 HB3 ARG 39 10.368 -6.400 -8.029 269 HG2 ARG 39 HG2 ARG 39 9.466 -8.442 -10.050 270 HG3 ARG 39 HG3 ARG 39 10.837 -8.589 -8.949 271 HD2 ARG 39 HD2 ARG 39 9.495 -9.413 -7.385 272 HD3 ARG 39 HD3 ARG 39 8.548 -7.926 -7.411 273 HE ARG 39 HE ARG 39 6.949 -8.994 -8.672 274 HH11 ARG 39 HH11 ARG 39 9.826 -10.949 -8.521 275 HH12 ARG 39 HH12 ARG 39 9.073 -12.342 -9.225 276 HH21 ARG 39 HH21 ARG 39 5.947 -10.821 -9.600 277 HH22 ARG 39 HH22 ARG 39 6.867 -12.267 -9.840 278 H CYS 40 H CYS 40 9.026 -4.505 -7.094 279 HA CYS 40 HA CYS 40 8.527 -1.965 -8.359 280 HB2 CYS 40 HB2 CYS 40 9.448 -2.709 -5.578 281 HB3 CYS 40 HB3 CYS 40 9.166 -1.052 -6.100 282 H MET 41 H MET 41 9.973 -0.650 -9.263 283 HA MET 41 HA MET 41 12.770 -0.765 -8.485 284 HB2 MET 41 HB2 MET 41 12.611 -2.440 -10.272 285 HB3 MET 41 HB3 MET 41 11.892 -1.241 -11.339 286 HG2 MET 41 HG2 MET 41 13.927 -0.757 -12.049 287 HG3 MET 41 HG3 MET 41 14.264 -0.086 -10.455 288 HE1 MET 41 HE1 MET 41 17.005 -0.696 -10.672 289 HE2 MET 41 HE2 MET 41 17.454 -2.188 -11.498 290 HE3 MET 41 HE3 MET 41 16.441 -0.998 -12.316 Start of MODEL 3 1 H1 CYS 1 H CYS 1 1.327 1.185 1.822 2 HA CYS 1 HA CYS 1 1.031 0.148 -0.839 3 HB2 CYS 1 HB2 CYS 1 2.623 1.840 -1.487 4 HB3 CYS 1 HB3 CYS 1 1.492 2.550 -0.339 5 H ALA 2 H ALA 2 3.130 -0.304 -2.113 6 HA ALA 2 HA ALA 2 4.591 -2.377 -0.641 7 HB1 ALA 2 HB1 ALA 2 3.830 -1.995 -3.484 8 HB2 ALA 2 HB2 ALA 2 5.321 -2.873 -3.139 9 HB3 ALA 2 HB3 ALA 2 3.788 -3.447 -2.484 10 H SER 3 H SER 3 6.857 -2.551 -0.773 11 HA SER 3 HA SER 3 8.194 0.007 -1.324 12 HB2 SER 3 HB2 SER 3 8.339 -0.941 0.995 13 HB3 SER 3 HB3 SER 3 9.228 -2.309 0.326 14 HG SER 3 HG SER 3 10.586 -0.619 1.151 15 H LYS 4 H LYS 4 10.687 -0.471 -1.773 16 HA LYS 4 HA LYS 4 10.833 -1.498 -4.376 17 HB2 LYS 4 HB2 LYS 4 13.194 -1.123 -4.244 18 HB3 LYS 4 HB3 LYS 4 12.400 0.171 -3.357 19 HG2 LYS 4 HG2 LYS 4 12.868 -1.782 -1.445 20 HG3 LYS 4 HG3 LYS 4 14.320 -1.785 -2.449 21 HD2 LYS 4 HD2 LYS 4 14.003 0.854 -2.174 22 HD3 LYS 4 HD3 LYS 4 13.231 0.326 -0.676 23 HE2 LYS 4 HE2 LYS 4 15.335 -1.106 -0.337 24 HE3 LYS 4 HE3 LYS 4 16.059 -0.100 -1.591 25 HZ1 LYS 4 HZ1 LYS 4 14.749 1.134 0.744 26 HZ2 LYS 4 HZ2 LYS 4 15.940 1.777 -0.270 27 HZ3 LYS 4 HZ3 LYS 4 16.344 0.578 0.853 28 H ASN 5 H ASN 5 11.557 -3.415 -5.224 29 HA ASN 5 HA ASN 5 12.207 -5.605 -5.323 30 HB2 ASN 5 HB2 ASN 5 12.648 -5.665 -2.351 31 HB3 ASN 5 HB3 ASN 5 13.474 -6.578 -3.610 32 HD21 ASN 5 HD21 ASN 5 14.356 -4.703 -1.412 33 HD22 ASN 5 HD22 ASN 5 15.404 -3.585 -2.209 34 H GLU 6 H GLU 6 9.595 -4.371 -3.901 35 HA GLU 6 HA GLU 6 8.496 -6.936 -2.994 36 HB2 GLU 6 HB2 GLU 6 7.311 -4.168 -2.725 37 HB3 GLU 6 HB3 GLU 6 6.706 -5.641 -1.979 38 HG2 GLU 6 HG2 GLU 6 9.119 -5.713 -0.940 39 HG3 GLU 6 HG3 GLU 6 9.065 -3.982 -1.267 40 H ARG 7 H ARG 7 6.352 -7.561 -3.692 41 HA ARG 7 HA ARG 7 6.045 -7.405 -6.501 42 HB2 ARG 7 HB2 ARG 7 5.298 -9.380 -5.387 43 HB3 ARG 7 HB3 ARG 7 4.250 -8.457 -4.318 44 HG2 ARG 7 HG2 ARG 7 2.798 -7.895 -6.166 45 HG3 ARG 7 HG3 ARG 7 3.878 -8.717 -7.294 46 HD2 ARG 7 HD2 ARG 7 2.840 -10.256 -4.973 47 HD3 ARG 7 HD3 ARG 7 1.727 -9.899 -6.293 48 HE ARG 7 HE ARG 7 3.894 -10.898 -7.566 49 HH11 ARG 7 HH11 ARG 7 1.943 -12.029 -4.914 50 HH12 ARG 7 HH12 ARG 7 2.199 -13.706 -5.270 51 HH21 ARG 7 HH21 ARG 7 4.239 -13.102 -8.045 52 HH22 ARG 7 HH22 ARG 7 3.505 -14.314 -7.051 53 H CYS 8 H CYS 8 4.831 -6.116 -7.762 54 HA CYS 8 HA CYS 8 2.985 -4.236 -6.448 55 HB2 CYS 8 HB2 CYS 8 3.752 -2.428 -7.774 56 HB3 CYS 8 HB3 CYS 8 5.204 -3.213 -7.163 57 H GLY 9 H GLY 9 1.432 -3.232 -8.030 58 HA2 GLY 9 HA2 GLY 9 0.524 -5.324 -9.896 59 HA3 GLY 9 HA3 GLY 9 -0.514 -4.132 -9.129 60 H ASN 10 H ASN 10 -0.567 -4.626 -11.871 61 HA ASN 10 HA ASN 10 -0.109 -1.975 -12.866 62 HB2 ASN 10 HB2 ASN 10 2.140 -3.082 -13.109 63 HB3 ASN 10 HB3 ASN 10 1.390 -4.224 -14.220 64 HD21 ASN 10 HD21 ASN 10 3.500 -2.161 -14.569 65 HD22 ASN 10 HD22 ASN 10 2.962 -1.192 -15.895 66 H ALA 11 H ALA 11 -2.048 -1.659 -13.745 67 HA ALA 11 HA ALA 11 -3.746 -3.656 -14.738 68 HB1 ALA 11 HB1 ALA 11 -4.831 -1.706 -14.119 69 HB2 ALA 11 HB2 ALA 11 -3.694 -0.676 -14.990 70 HB3 ALA 11 HB3 ALA 11 -4.880 -1.630 -15.880 71 H LEU 12 H LEU 12 -1.307 -1.679 -16.305 72 HA LEU 12 HA LEU 12 -2.008 -2.145 -18.976 73 HB2 LEU 12 HB2 LEU 12 0.802 -1.848 -17.945 74 HB3 LEU 12 HB3 LEU 12 0.189 -1.428 -19.543 75 HG LEU 12 HG LEU 12 -0.353 0.001 -16.945 76 HD11 LEU 12 HD11 LEU 12 0.835 1.150 -19.442 77 HD12 LEU 12 HD12 LEU 12 1.837 0.308 -18.261 78 HD13 LEU 12 HD13 LEU 12 0.932 1.745 -17.784 79 HD21 LEU 12 HD21 LEU 12 -1.667 0.193 -19.624 80 HD22 LEU 12 HD22 LEU 12 -1.511 1.625 -18.607 81 HD23 LEU 12 HD23 LEU 12 -2.391 0.215 -18.016 82 H TYR 13 H TYR 13 -0.605 -4.213 -16.620 83 HA TYR 13 HA TYR 13 0.102 -6.171 -18.703 84 HB2 TYR 13 HB2 TYR 13 1.246 -5.549 -16.029 85 HB3 TYR 13 HB3 TYR 13 1.244 -7.237 -16.529 86 HD1 TYR 13 HD1 TYR 13 2.400 -3.849 -17.490 87 HD2 TYR 13 HD2 TYR 13 2.818 -8.040 -18.094 88 HE1 TYR 13 HE1 TYR 13 4.429 -3.448 -18.822 89 HE2 TYR 13 HE2 TYR 13 4.849 -7.651 -19.426 90 HH TYR 13 HH TYR 13 6.657 -5.670 -19.491 91 H GLY 14 H GLY 14 -2.546 -5.507 -17.317 92 HA2 GLY 14 HA2 GLY 14 -4.373 -6.651 -16.524 93 HA3 GLY 14 HA3 GLY 14 -3.676 -8.039 -17.345 94 H THR 15 H THR 15 -1.941 -6.455 -14.786 95 HA THR 15 HA THR 15 -2.438 -8.800 -13.072 96 HB THR 15 HB THR 15 -0.259 -8.468 -12.083 97 HG1 THR 15 HG1 THR 15 0.217 -6.338 -13.896 98 HG21 THR 15 HG21 THR 15 0.438 -8.138 -14.948 99 HG22 THR 15 HG22 THR 15 -0.640 -9.470 -14.529 100 HG23 THR 15 HG23 THR 15 0.957 -9.362 -13.790 101 H LYS 16 H LYS 16 -3.476 -8.471 -11.224 102 HA LYS 16 HA LYS 16 -3.919 -5.731 -10.315 103 HB2 LYS 16 HB2 LYS 16 -5.605 -6.802 -8.798 104 HB3 LYS 16 HB3 LYS 16 -5.918 -7.030 -10.514 105 HG2 LYS 16 HG2 LYS 16 -4.314 -9.186 -9.509 106 HG3 LYS 16 HG3 LYS 16 -5.766 -8.989 -8.526 107 HD2 LYS 16 HD2 LYS 16 -7.168 -9.529 -10.243 108 HD3 LYS 16 HD3 LYS 16 -6.081 -8.885 -11.476 109 HE2 LYS 16 HE2 LYS 16 -4.564 -10.896 -10.698 110 HE3 LYS 16 HE3 LYS 16 -6.108 -11.560 -10.165 111 HZ1 LYS 16 HZ1 LYS 16 -6.584 -12.111 -12.241 112 HZ2 LYS 16 HZ2 LYS 16 -5.053 -11.584 -12.729 113 HZ3 LYS 16 HZ3 LYS 16 -6.367 -10.520 -12.774 114 H GLY 17 H GLY 17 -2.237 -5.038 -9.110 115 HA2 GLY 17 HA2 GLY 17 -1.611 -6.612 -6.701 116 HA3 GLY 17 HA3 GLY 17 -0.304 -6.007 -7.709 117 HA PRO 18 HA PRO 18 -1.555 -2.888 -4.391 118 HB2 PRO 18 HB2 PRO 18 0.769 -2.951 -2.990 119 HB3 PRO 18 HB3 PRO 18 -0.595 -4.019 -2.637 120 HG2 PRO 18 HG2 PRO 18 1.899 -4.583 -4.195 121 HG3 PRO 18 HG3 PRO 18 1.074 -5.598 -2.998 122 HD2 PRO 18 HD2 PRO 18 0.810 -5.983 -5.665 123 HD3 PRO 18 HD3 PRO 18 -0.499 -6.329 -4.517 124 H GLY 19 H GLY 19 -0.539 -0.789 -4.031 125 HA2 GLY 19 HA2 GLY 19 1.046 0.007 -6.365 126 HA3 GLY 19 HA3 GLY 19 0.129 1.085 -5.323 127 H CYS 20 H CYS 20 3.100 0.652 -6.260 128 HA CYS 20 HA CYS 20 4.507 0.455 -3.757 129 HB2 CYS 20 HB2 CYS 20 5.301 0.950 -6.607 130 HB3 CYS 20 HB3 CYS 20 6.451 1.261 -5.310 131 H CYS 21 H CYS 21 5.393 2.070 -2.551 132 HA CYS 21 HA CYS 21 4.229 4.660 -2.747 133 HB2 CYS 21 HB2 CYS 21 6.156 3.303 -0.932 134 HB3 CYS 21 HB3 CYS 21 6.172 5.064 -0.950 135 H ASN 22 H ASN 22 7.282 3.264 -3.725 136 HA ASN 22 HA ASN 22 7.841 5.479 -5.442 137 HB2 ASN 22 HB2 ASN 22 8.617 6.348 -3.226 138 HB3 ASN 22 HB3 ASN 22 9.769 5.017 -3.158 139 HD21 ASN 22 HD21 ASN 22 11.148 7.033 -2.946 140 HD22 ASN 22 HD22 ASN 22 11.805 7.667 -4.413 141 H GLY 23 H GLY 23 8.582 4.526 -7.213 142 HA2 GLY 23 HA2 GLY 23 10.800 3.289 -7.823 143 HA3 GLY 23 HA3 GLY 23 10.010 1.975 -6.963 144 H LYS 24 H LYS 24 10.845 2.301 -9.813 145 HA LYS 24 HA LYS 24 8.372 2.390 -11.300 146 HB2 LYS 24 HB2 LYS 24 11.096 1.517 -12.270 147 HB3 LYS 24 HB3 LYS 24 9.732 2.032 -13.254 148 HG2 LYS 24 HG2 LYS 24 10.236 4.144 -11.486 149 HG3 LYS 24 HG3 LYS 24 11.814 3.601 -12.063 150 HD2 LYS 24 HD2 LYS 24 11.378 4.195 -14.223 151 HD3 LYS 24 HD3 LYS 24 9.644 3.903 -14.068 152 HE2 LYS 24 HE2 LYS 24 11.045 6.196 -12.714 153 HE3 LYS 24 HE3 LYS 24 10.363 6.318 -14.335 154 HZ1 LYS 24 HZ1 LYS 24 8.512 5.212 -12.458 155 HZ2 LYS 24 HZ2 LYS 24 8.323 6.521 -13.512 156 HZ3 LYS 24 HZ3 LYS 24 9.034 6.753 -11.994 157 H CYS 25 H CYS 25 7.095 0.723 -11.781 158 HA CYS 25 HA CYS 25 7.613 -1.864 -10.707 159 HB2 CYS 25 HB2 CYS 25 5.420 -0.602 -12.287 160 HB3 CYS 25 HB3 CYS 25 5.506 -2.360 -12.250 161 H ILE 26 H ILE 26 8.317 -3.696 -11.670 162 HA ILE 26 HA ILE 26 9.079 -3.502 -14.511 163 HB ILE 26 HB ILE 26 10.441 -5.077 -12.323 164 HG12 ILE 26 HG12 ILE 26 10.885 -2.669 -12.194 165 HG13 ILE 26 HG13 ILE 26 12.324 -3.543 -12.708 166 HG21 ILE 26 HG21 ILE 26 10.510 -5.287 -15.220 167 HG22 ILE 26 HG22 ILE 26 12.106 -5.022 -14.518 168 HG23 ILE 26 HG23 ILE 26 11.126 -6.390 -13.990 169 HD11 ILE 26 HD11 ILE 26 12.474 -2.229 -14.473 170 HD12 ILE 26 HD12 ILE 26 10.898 -2.791 -15.031 171 HD13 ILE 26 HD13 ILE 26 11.009 -1.381 -13.978 172 H CYS 27 H CYS 27 7.143 -4.399 -15.268 173 HA CYS 27 HA CYS 27 6.331 -7.022 -14.332 174 HB2 CYS 27 HB2 CYS 27 5.213 -5.182 -16.453 175 HB3 CYS 27 HB3 CYS 27 4.528 -6.757 -16.066 176 H ARG 28 H ARG 28 6.549 -8.922 -15.420 177 HA ARG 28 HA ARG 28 7.704 -8.904 -18.103 178 HB2 ARG 28 HB2 ARG 28 9.644 -9.005 -16.639 179 HB3 ARG 28 HB3 ARG 28 8.934 -10.345 -15.748 180 HG2 ARG 28 HG2 ARG 28 9.375 -11.864 -17.404 181 HG3 ARG 28 HG3 ARG 28 9.369 -10.641 -18.677 182 HD2 ARG 28 HD2 ARG 28 11.489 -9.739 -17.691 183 HD3 ARG 28 HD3 ARG 28 11.514 -11.140 -16.621 184 HE ARG 28 HE ARG 28 11.282 -12.136 -19.183 185 HH11 ARG 28 HH11 ARG 28 13.558 -10.193 -17.404 186 HH12 ARG 28 HH12 ARG 28 14.929 -10.733 -18.315 187 HH21 ARG 28 HH21 ARG 28 13.079 -12.855 -20.389 188 HH22 ARG 28 HH22 ARG 28 14.656 -12.247 -20.013 189 H THR 29 H THR 29 7.437 -10.877 -19.248 190 HA THR 29 HA THR 29 5.854 -12.979 -18.005 191 HB THR 29 HB THR 29 4.780 -11.950 -20.592 192 HG1 THR 29 HG1 THR 29 4.591 -10.063 -19.544 193 HG21 THR 29 HG21 THR 29 4.002 -13.777 -18.476 194 HG22 THR 29 HG22 THR 29 3.388 -13.635 -20.123 195 HG23 THR 29 HG23 THR 29 2.727 -12.616 -18.845 196 H VAL 30 H VAL 30 7.158 -14.648 -18.454 197 HA VAL 30 HA VAL 30 7.565 -15.376 -21.229 198 HB VAL 30 HB VAL 30 10.024 -15.827 -20.821 199 HG11 VAL 30 HG11 VAL 30 8.871 -13.800 -22.031 200 HG12 VAL 30 HG12 VAL 30 9.564 -12.886 -20.690 201 HG13 VAL 30 HG13 VAL 30 10.613 -13.819 -21.758 202 HG21 VAL 30 HG21 VAL 30 9.702 -15.447 -18.292 203 HG22 VAL 30 HG22 VAL 30 11.167 -14.829 -19.054 204 HG23 VAL 30 HG23 VAL 30 9.836 -13.733 -18.685 205 HA PRO 31 HA PRO 31 6.737 -19.453 -19.832 206 HB2 PRO 31 HB2 PRO 31 9.012 -20.197 -21.612 207 HB3 PRO 31 HB3 PRO 31 7.370 -20.849 -21.552 208 HG2 PRO 31 HG2 PRO 31 8.126 -19.144 -23.476 209 HG3 PRO 31 HG3 PRO 31 6.490 -19.111 -22.793 210 HD2 PRO 31 HD2 PRO 31 8.741 -17.238 -22.404 211 HD3 PRO 31 HD3 PRO 31 6.991 -16.946 -22.337 212 H ARG 32 H ARG 32 10.005 -18.180 -19.836 213 HA ARG 32 HA ARG 32 11.124 -20.250 -18.215 214 HB2 ARG 32 HB2 ARG 32 12.034 -17.560 -19.159 215 HB3 ARG 32 HB3 ARG 32 12.913 -18.357 -17.862 216 HG2 ARG 32 HG2 ARG 32 12.562 -20.296 -19.852 217 HG3 ARG 32 HG3 ARG 32 13.031 -18.814 -20.686 218 HD2 ARG 32 HD2 ARG 32 14.711 -18.874 -18.503 219 HD3 ARG 32 HD3 ARG 32 14.593 -20.571 -18.969 220 HE ARG 32 HE ARG 32 15.051 -19.201 -21.305 221 HH11 ARG 32 HH11 ARG 32 16.679 -19.571 -18.250 222 HH12 ARG 32 HH12 ARG 32 18.262 -19.359 -18.920 223 HH21 ARG 32 HH21 ARG 32 17.130 -18.919 -22.199 224 HH22 ARG 32 HH22 ARG 32 18.518 -18.987 -21.166 225 H LYS 33 H LYS 33 9.266 -20.146 -16.649 226 HA LYS 33 HA LYS 33 8.370 -19.594 -14.627 227 HB2 LYS 33 HB2 LYS 33 11.305 -19.081 -14.271 228 HB3 LYS 33 HB3 LYS 33 10.185 -18.752 -12.955 229 HG2 LYS 33 HG2 LYS 33 9.475 -21.052 -12.919 230 HG3 LYS 33 HG3 LYS 33 10.463 -21.413 -14.337 231 HD2 LYS 33 HD2 LYS 33 12.145 -20.203 -12.404 232 HD3 LYS 33 HD3 LYS 33 11.204 -21.452 -11.585 233 HE2 LYS 33 HE2 LYS 33 11.917 -22.717 -13.891 234 HE3 LYS 33 HE3 LYS 33 13.323 -21.694 -13.599 235 HZ1 LYS 33 HZ1 LYS 33 13.545 -23.868 -12.553 236 HZ2 LYS 33 HZ2 LYS 33 12.148 -23.593 -11.641 237 HZ3 LYS 33 HZ3 LYS 33 13.521 -22.636 -11.394 238 H GLY 34 H GLY 34 7.755 -17.683 -16.420 239 HA2 GLY 34 HA2 GLY 34 7.953 -15.223 -14.806 240 HA3 GLY 34 HA3 GLY 34 8.218 -15.172 -16.542 241 H VAL 35 H VAL 35 5.798 -16.314 -14.188 242 HA VAL 35 HA VAL 35 3.668 -15.984 -16.116 243 HB VAL 35 HB VAL 35 3.521 -16.684 -13.180 244 HG11 VAL 35 HG11 VAL 35 1.489 -16.260 -15.266 245 HG12 VAL 35 HG12 VAL 35 1.290 -17.721 -14.295 246 HG13 VAL 35 HG13 VAL 35 1.359 -16.142 -13.511 247 HG21 VAL 35 HG21 VAL 35 4.354 -18.209 -15.450 248 HG22 VAL 35 HG22 VAL 35 4.246 -18.702 -13.760 249 HG23 VAL 35 HG23 VAL 35 2.847 -18.874 -14.820 250 H ASN 36 H ASN 36 4.274 -13.625 -16.324 251 HA ASN 36 HA ASN 36 3.767 -11.429 -16.016 252 HB2 ASN 36 HB2 ASN 36 1.456 -12.672 -14.515 253 HB3 ASN 36 HB3 ASN 36 1.583 -10.948 -14.849 254 HD21 ASN 36 HD21 ASN 36 1.622 -10.270 -17.067 255 HD22 ASN 36 HD22 ASN 36 0.831 -11.225 -18.271 256 H SER 37 H SER 37 5.822 -11.852 -14.582 257 HA SER 37 HA SER 37 5.319 -11.336 -11.759 258 HB2 SER 37 HB2 SER 37 7.989 -11.313 -11.884 259 HB3 SER 37 HB3 SER 37 7.069 -12.816 -11.834 260 HG SER 37 HG SER 37 8.416 -13.046 -13.536 261 H CYS 38 H CYS 38 5.130 -9.336 -11.027 262 HA CYS 38 HA CYS 38 6.525 -7.171 -12.460 263 HB2 CYS 38 HB2 CYS 38 3.918 -7.086 -10.929 264 HB3 CYS 38 HB3 CYS 38 4.735 -5.669 -11.581 265 H ARG 39 H ARG 39 8.387 -7.069 -11.273 266 HA ARG 39 HA ARG 39 8.189 -6.839 -8.364 267 HB2 ARG 39 HB2 ARG 39 9.935 -8.256 -9.784 268 HB3 ARG 39 HB3 ARG 39 10.806 -6.728 -9.785 269 HG2 ARG 39 HG2 ARG 39 11.577 -8.099 -7.967 270 HG3 ARG 39 HG3 ARG 39 10.709 -6.704 -7.323 271 HD2 ARG 39 HD2 ARG 39 10.194 -8.910 -6.224 272 HD3 ARG 39 HD3 ARG 39 8.799 -8.011 -6.821 273 HE ARG 39 HE ARG 39 8.357 -9.751 -8.225 274 HH11 ARG 39 HH11 ARG 39 11.701 -9.919 -7.272 275 HH12 ARG 39 HH12 ARG 39 11.988 -11.430 -8.070 276 HH21 ARG 39 HH21 ARG 39 8.722 -11.740 -9.279 277 HH22 ARG 39 HH22 ARG 39 10.293 -12.464 -9.212 278 H CYS 40 H CYS 40 8.653 -5.010 -7.250 279 HA CYS 40 HA CYS 40 8.612 -2.529 -8.677 280 HB2 CYS 40 HB2 CYS 40 7.694 -3.199 -6.271 281 HB3 CYS 40 HB3 CYS 40 9.283 -2.625 -5.773 282 H MET 41 H MET 41 10.351 -1.743 -9.658 283 HA MET 41 HA MET 41 13.009 -2.332 -8.602 284 HB2 MET 41 HB2 MET 41 12.853 -2.723 -10.934 285 HB3 MET 41 HB3 MET 41 12.026 -1.196 -11.213 286 HG2 MET 41 HG2 MET 41 13.993 0.049 -10.901 287 HG3 MET 41 HG3 MET 41 14.840 -1.321 -10.187 288 HE1 MET 41 HE1 MET 41 16.526 -0.358 -13.716 289 HE2 MET 41 HE2 MET 41 15.383 0.785 -13.010 290 HE3 MET 41 HE3 MET 41 16.568 -0.026 -11.984 Start of MODEL 4 1 H1 CYS 1 H CYS 1 2.156 -0.749 1.023 2 HA CYS 1 HA CYS 1 1.629 -1.068 -1.856 3 HB2 CYS 1 HB2 CYS 1 3.416 0.715 -2.189 4 HB3 CYS 1 HB3 CYS 1 1.861 1.274 -1.583 5 H ALA 2 H ALA 2 3.455 -1.741 -3.127 6 HA ALA 2 HA ALA 2 5.020 -3.737 -1.818 7 HB1 ALA 2 HB1 ALA 2 6.080 -3.947 -4.120 8 HB2 ALA 2 HB2 ALA 2 4.345 -4.250 -4.010 9 HB3 ALA 2 HB3 ALA 2 4.933 -2.711 -4.640 10 H SER 3 H SER 3 7.321 -3.870 -1.743 11 HA SER 3 HA SER 3 8.568 -1.258 -1.318 12 HB2 SER 3 HB2 SER 3 9.938 -3.833 -0.652 13 HB3 SER 3 HB3 SER 3 10.007 -2.280 0.180 14 HG SER 3 HG SER 3 8.787 -3.755 1.380 15 H LYS 4 H LYS 4 11.164 -1.623 -1.674 16 HA LYS 4 HA LYS 4 11.494 -1.526 -4.479 17 HB2 LYS 4 HB2 LYS 4 12.905 -0.370 -2.700 18 HB3 LYS 4 HB3 LYS 4 13.711 -1.917 -2.471 19 HG2 LYS 4 HG2 LYS 4 14.384 -1.896 -4.834 20 HG3 LYS 4 HG3 LYS 4 13.619 -0.316 -5.021 21 HD2 LYS 4 HD2 LYS 4 15.602 -0.641 -2.834 22 HD3 LYS 4 HD3 LYS 4 16.211 -0.586 -4.489 23 HE2 LYS 4 HE2 LYS 4 14.226 1.465 -4.018 24 HE3 LYS 4 HE3 LYS 4 15.556 1.581 -2.867 25 HZ1 LYS 4 HZ1 LYS 4 17.056 1.416 -4.879 26 HZ2 LYS 4 HZ2 LYS 4 16.199 2.862 -4.697 27 HZ3 LYS 4 HZ3 LYS 4 15.680 1.708 -5.820 28 H ASN 5 H ASN 5 11.800 -3.100 -5.907 29 HA ASN 5 HA ASN 5 12.378 -5.099 -6.841 30 HB2 ASN 5 HB2 ASN 5 13.682 -5.948 -4.267 31 HB3 ASN 5 HB3 ASN 5 14.108 -6.390 -5.918 32 HD21 ASN 5 HD21 ASN 5 15.466 -5.009 -3.526 33 HD22 ASN 5 HD22 ASN 5 16.254 -3.654 -4.254 34 H GLU 6 H GLU 6 10.066 -4.610 -4.878 35 HA GLU 6 HA GLU 6 9.469 -7.397 -4.180 36 HB2 GLU 6 HB2 GLU 6 8.382 -4.759 -3.236 37 HB3 GLU 6 HB3 GLU 6 7.489 -6.250 -2.971 38 HG2 GLU 6 HG2 GLU 6 9.678 -7.115 -1.926 39 HG3 GLU 6 HG3 GLU 6 10.130 -5.413 -1.850 40 H ARG 7 H ARG 7 7.389 -8.288 -4.682 41 HA ARG 7 HA ARG 7 6.585 -7.818 -7.348 42 HB2 ARG 7 HB2 ARG 7 4.735 -9.408 -6.818 43 HB3 ARG 7 HB3 ARG 7 6.334 -10.013 -6.408 44 HG2 ARG 7 HG2 ARG 7 5.460 -8.753 -4.096 45 HG3 ARG 7 HG3 ARG 7 4.034 -9.584 -4.720 46 HD2 ARG 7 HD2 ARG 7 6.614 -11.059 -4.669 47 HD3 ARG 7 HD3 ARG 7 5.777 -10.795 -3.140 48 HE ARG 7 HE ARG 7 3.896 -11.779 -4.918 49 HH11 ARG 7 HH11 ARG 7 6.876 -12.847 -3.467 50 HH12 ARG 7 HH12 ARG 7 6.443 -14.525 -3.502 51 HH21 ARG 7 HH21 ARG 7 3.315 -13.984 -4.969 52 HH22 ARG 7 HH22 ARG 7 4.418 -15.170 -4.357 53 H CYS 8 H CYS 8 4.929 -6.678 -8.214 54 HA CYS 8 HA CYS 8 3.099 -5.290 -6.377 55 HB2 CYS 8 HB2 CYS 8 3.277 -3.264 -7.805 56 HB3 CYS 8 HB3 CYS 8 4.790 -3.671 -7.001 57 H GLY 9 H GLY 9 1.486 -3.982 -8.052 58 HA2 GLY 9 HA2 GLY 9 0.478 -6.080 -9.876 59 HA3 GLY 9 HA3 GLY 9 -0.581 -5.105 -8.868 60 H ASN 10 H ASN 10 -0.833 -5.340 -11.665 61 HA ASN 10 HA ASN 10 -0.868 -2.567 -12.374 62 HB2 ASN 10 HB2 ASN 10 1.508 -3.257 -12.874 63 HB3 ASN 10 HB3 ASN 10 0.861 -4.366 -14.080 64 HD21 ASN 10 HD21 ASN 10 2.620 -2.053 -14.384 65 HD22 ASN 10 HD22 ASN 10 1.827 -0.998 -15.499 66 H ALA 11 H ALA 11 -2.889 -2.486 -13.105 67 HA ALA 11 HA ALA 11 -4.320 -4.623 -14.218 68 HB1 ALA 11 HB1 ALA 11 -4.773 -1.652 -14.275 69 HB2 ALA 11 HB2 ALA 11 -5.901 -2.799 -14.997 70 HB3 ALA 11 HB3 ALA 11 -5.565 -2.864 -13.267 71 H LEU 12 H LEU 12 -2.260 -2.206 -15.673 72 HA LEU 12 HA LEU 12 -3.086 -2.429 -18.339 73 HB2 LEU 12 HB2 LEU 12 -1.374 -0.838 -17.128 74 HB3 LEU 12 HB3 LEU 12 -0.207 -2.036 -17.684 75 HG LEU 12 HG LEU 12 -1.687 -1.458 -19.951 76 HD11 LEU 12 HD11 LEU 12 -1.908 0.869 -20.143 77 HD12 LEU 12 HD12 LEU 12 -0.998 1.165 -18.662 78 HD13 LEU 12 HD13 LEU 12 -2.617 0.471 -18.577 79 HD21 LEU 12 HD21 LEU 12 0.879 -1.681 -19.351 80 HD22 LEU 12 HD22 LEU 12 0.793 0.080 -19.391 81 HD23 LEU 12 HD23 LEU 12 0.337 -0.859 -20.814 82 H TYR 13 H TYR 13 -1.308 -4.587 -16.337 83 HA TYR 13 HA TYR 13 -0.602 -6.221 -18.684 84 HB2 TYR 13 HB2 TYR 13 0.745 -5.775 -16.060 85 HB3 TYR 13 HB3 TYR 13 0.906 -7.355 -16.817 86 HD1 TYR 13 HD2 TYR 13 2.139 -7.620 -18.896 87 HD2 TYR 13 HD1 TYR 13 1.751 -3.802 -17.059 88 HE1 TYR 13 HE2 TYR 13 3.943 -6.755 -20.327 89 HE2 TYR 13 HE1 TYR 13 3.552 -2.925 -18.486 90 HH TYR 13 HH TYR 13 4.503 -4.056 -21.149 91 H GLY 14 H GLY 14 -3.133 -6.014 -16.970 92 HA2 GLY 14 HA2 GLY 14 -4.746 -7.450 -16.194 93 HA3 GLY 14 HA3 GLY 14 -3.926 -8.686 -17.136 94 H THR 15 H THR 15 -2.232 -7.017 -14.609 95 HA THR 15 HA THR 15 -2.347 -9.469 -12.977 96 HB THR 15 HB THR 15 -0.127 -9.135 -12.270 97 HG1 THR 15 HG1 THR 15 0.040 -6.638 -13.598 98 HG21 THR 15 HG21 THR 15 -0.693 -9.452 -14.937 99 HG22 THR 15 HG22 THR 15 0.893 -9.670 -14.197 100 HG23 THR 15 HG23 THR 15 0.475 -8.131 -14.949 101 H LYS 16 H LYS 16 -3.198 -9.304 -11.011 102 HA LYS 16 HA LYS 16 -3.793 -6.640 -9.959 103 HB2 LYS 16 HB2 LYS 16 -5.279 -7.876 -8.379 104 HB3 LYS 16 HB3 LYS 16 -5.694 -8.105 -10.073 105 HG2 LYS 16 HG2 LYS 16 -3.878 -10.152 -9.355 106 HG3 LYS 16 HG3 LYS 16 -5.115 -10.062 -8.099 107 HD2 LYS 16 HD2 LYS 16 -6.069 -9.921 -10.893 108 HD3 LYS 16 HD3 LYS 16 -5.408 -11.472 -10.369 109 HE2 LYS 16 HE2 LYS 16 -7.121 -11.869 -8.950 110 HE3 LYS 16 HE3 LYS 16 -7.274 -10.173 -8.493 111 HZ1 LYS 16 HZ1 LYS 16 -8.295 -11.437 -10.977 112 HZ2 LYS 16 HZ2 LYS 16 -8.343 -9.776 -10.663 113 HZ3 LYS 16 HZ3 LYS 16 -9.218 -10.847 -9.688 114 H GLY 17 H GLY 17 -2.656 -5.781 -8.348 115 HA2 GLY 17 HA2 GLY 17 -1.703 -7.228 -6.116 116 HA3 GLY 17 HA3 GLY 17 -0.384 -6.972 -7.248 117 HA PRO 18 HA PRO 18 -0.980 -3.271 -4.376 118 HB2 PRO 18 HB2 PRO 18 1.386 -3.491 -3.064 119 HB3 PRO 18 HB3 PRO 18 -0.095 -4.281 -2.512 120 HG2 PRO 18 HG2 PRO 18 2.198 -5.425 -4.058 121 HG3 PRO 18 HG3 PRO 18 1.304 -6.129 -2.698 122 HD2 PRO 18 HD2 PRO 18 0.836 -6.835 -5.270 123 HD3 PRO 18 HD3 PRO 18 -0.441 -6.816 -4.037 124 H GLY 19 H GLY 19 -0.034 -1.277 -4.729 125 HA2 GLY 19 HA2 GLY 19 1.735 -1.134 -7.036 126 HA3 GLY 19 HA3 GLY 19 0.898 0.212 -6.278 127 H CYS 20 H CYS 20 3.676 0.059 -7.095 128 HA CYS 20 HA CYS 20 5.391 -0.363 -4.903 129 HB2 CYS 20 HB2 CYS 20 5.748 1.455 -7.295 130 HB3 CYS 20 HB3 CYS 20 7.029 0.967 -6.190 131 H CYS 21 H CYS 21 5.882 0.838 -3.176 132 HA CYS 21 HA CYS 21 4.332 2.941 -2.293 133 HB2 CYS 21 HB2 CYS 21 7.190 2.250 -1.591 134 HB3 CYS 21 HB3 CYS 21 6.219 3.421 -0.705 135 H ASN 22 H ASN 22 7.513 3.113 -3.877 136 HA ASN 22 HA ASN 22 6.841 5.636 -5.081 137 HB2 ASN 22 HB2 ASN 22 8.811 5.477 -2.816 138 HB3 ASN 22 HB3 ASN 22 8.992 6.693 -4.077 139 HD21 ASN 22 HD21 ASN 22 7.957 6.345 -1.083 140 HD22 ASN 22 HD22 ASN 22 6.655 7.479 -1.044 141 H GLY 23 H GLY 23 7.451 5.176 -7.097 142 HA2 GLY 23 HA2 GLY 23 9.912 5.197 -8.136 143 HA3 GLY 23 HA3 GLY 23 9.798 3.530 -7.592 144 H LYS 24 H LYS 24 9.320 2.192 -9.186 145 HA LYS 24 HA LYS 24 7.053 2.660 -10.888 146 HB2 LYS 24 HB2 LYS 24 8.141 2.775 -12.983 147 HB3 LYS 24 HB3 LYS 24 8.972 3.940 -11.960 148 HG2 LYS 24 HG2 LYS 24 10.761 2.308 -11.573 149 HG3 LYS 24 HG3 LYS 24 9.933 1.166 -12.634 150 HD2 LYS 24 HD2 LYS 24 11.079 2.060 -14.323 151 HD3 LYS 24 HD3 LYS 24 10.099 3.514 -14.119 152 HE2 LYS 24 HE2 LYS 24 12.042 3.726 -12.156 153 HE3 LYS 24 HE3 LYS 24 12.908 3.065 -13.542 154 HZ1 LYS 24 HZ1 LYS 24 12.863 5.035 -14.522 155 HZ2 LYS 24 HZ2 LYS 24 12.191 5.699 -13.119 156 HZ3 LYS 24 HZ3 LYS 24 11.183 5.153 -14.363 157 H CYS 25 H CYS 25 6.198 0.780 -11.624 158 HA CYS 25 HA CYS 25 7.352 -1.671 -10.638 159 HB2 CYS 25 HB2 CYS 25 4.771 -0.881 -11.916 160 HB3 CYS 25 HB3 CYS 25 5.244 -2.576 -11.967 161 H ILE 26 H ILE 26 8.472 -3.150 -11.750 162 HA ILE 26 HA ILE 26 9.027 -2.604 -14.569 163 HB ILE 26 HB ILE 26 10.390 -4.516 -12.670 164 HG12 ILE 26 HG12 ILE 26 10.737 -2.159 -12.068 165 HG13 ILE 26 HG13 ILE 26 12.222 -2.883 -12.676 166 HG21 ILE 26 HG21 ILE 26 10.446 -4.328 -15.512 167 HG22 ILE 26 HG22 ILE 26 12.018 -3.844 -14.878 168 HG23 ILE 26 HG23 ILE 26 11.345 -5.418 -14.457 169 HD11 ILE 26 HD11 ILE 26 10.755 -0.606 -13.644 170 HD12 ILE 26 HD12 ILE 26 12.383 -1.154 -14.044 171 HD13 ILE 26 HD13 ILE 26 10.994 -1.800 -14.918 172 H CYS 27 H CYS 27 7.043 -3.394 -15.413 173 HA CYS 27 HA CYS 27 6.347 -6.174 -15.002 174 HB2 CYS 27 HB2 CYS 27 5.149 -4.029 -16.765 175 HB3 CYS 27 HB3 CYS 27 4.509 -5.664 -16.625 176 H ARG 28 H ARG 28 7.264 -7.767 -16.097 177 HA ARG 28 HA ARG 28 7.866 -7.407 -18.932 178 HB2 ARG 28 HB2 ARG 28 10.101 -8.332 -18.721 179 HB3 ARG 28 HB3 ARG 28 9.956 -6.889 -17.727 180 HG2 ARG 28 HG2 ARG 28 9.375 -8.621 -15.847 181 HG3 ARG 28 HG3 ARG 28 10.236 -9.735 -16.911 182 HD2 ARG 28 HD2 ARG 28 11.730 -7.315 -16.706 183 HD3 ARG 28 HD3 ARG 28 11.311 -7.861 -15.083 184 HE ARG 28 HE ARG 28 12.729 -9.643 -15.348 185 HH11 ARG 28 HH11 ARG 28 12.143 -8.163 -18.444 186 HH12 ARG 28 HH12 ARG 28 13.352 -9.095 -19.265 187 HH21 ARG 28 HH21 ARG 28 14.323 -10.876 -16.416 188 HH22 ARG 28 HH22 ARG 28 14.591 -10.638 -18.110 189 H THR 29 H THR 29 8.043 -9.380 -20.106 190 HA THR 29 HA THR 29 6.513 -11.539 -18.881 191 HB THR 29 HB THR 29 7.413 -11.672 -21.722 192 HG1 THR 29 HG1 THR 29 5.101 -10.190 -21.137 193 HG21 THR 29 HG21 THR 29 4.984 -12.474 -20.144 194 HG22 THR 29 HG22 THR 29 6.092 -13.495 -21.061 195 HG23 THR 29 HG23 THR 29 4.968 -12.431 -21.906 196 H VAL 30 H VAL 30 7.762 -12.879 -17.712 197 HA VAL 30 HA VAL 30 10.346 -13.734 -18.809 198 HB VAL 30 HB VAL 30 9.188 -13.725 -16.048 199 HG11 VAL 30 HG11 VAL 30 11.166 -15.655 -17.153 200 HG12 VAL 30 HG12 VAL 30 11.407 -15.039 -15.517 201 HG13 VAL 30 HG13 VAL 30 9.919 -15.892 -15.929 202 HG21 VAL 30 HG21 VAL 30 10.500 -11.905 -16.083 203 HG22 VAL 30 HG22 VAL 30 11.826 -13.052 -15.891 204 HG23 VAL 30 HG23 VAL 30 11.398 -12.459 -17.496 205 HA PRO 31 HA PRO 31 8.202 -17.358 -20.391 206 HB2 PRO 31 HB2 PRO 31 11.064 -18.183 -20.561 207 HB3 PRO 31 HB3 PRO 31 9.790 -18.282 -21.782 208 HG2 PRO 31 HG2 PRO 31 11.683 -16.390 -21.890 209 HG3 PRO 31 HG3 PRO 31 10.013 -16.066 -22.389 210 HD2 PRO 31 HD2 PRO 31 11.469 -15.192 -19.972 211 HD3 PRO 31 HD3 PRO 31 10.134 -14.410 -20.843 212 H ARG 32 H ARG 32 10.946 -17.472 -18.132 213 HA ARG 32 HA ARG 32 10.416 -20.093 -17.190 214 HB2 ARG 32 HB2 ARG 32 12.125 -17.813 -16.307 215 HB3 ARG 32 HB3 ARG 32 11.808 -19.105 -15.157 216 HG2 ARG 32 HG2 ARG 32 12.562 -20.666 -17.084 217 HG3 ARG 32 HG3 ARG 32 13.292 -19.201 -17.745 218 HD2 ARG 32 HD2 ARG 32 14.558 -18.887 -15.690 219 HD3 ARG 32 HD3 ARG 32 13.796 -20.313 -14.987 220 HE ARG 32 HE ARG 32 15.046 -21.032 -17.397 221 HH11 ARG 32 HH11 ARG 32 15.835 -20.031 -14.158 222 HH12 ARG 32 HH12 ARG 32 17.352 -20.867 -14.129 223 HH21 ARG 32 HH21 ARG 32 17.041 -22.137 -17.372 224 HH22 ARG 32 HH22 ARG 32 18.038 -22.064 -15.958 225 H LYS 33 H LYS 33 8.120 -19.993 -16.823 226 HA LYS 33 HA LYS 33 6.213 -19.635 -15.609 227 HB2 LYS 33 HB2 LYS 33 7.703 -21.168 -14.198 228 HB3 LYS 33 HB3 LYS 33 8.043 -19.748 -13.217 229 HG2 LYS 33 HG2 LYS 33 5.408 -19.597 -13.153 230 HG3 LYS 33 HG3 LYS 33 5.544 -21.327 -13.474 231 HD2 LYS 33 HD2 LYS 33 7.401 -20.949 -11.496 232 HD3 LYS 33 HD3 LYS 33 6.130 -19.811 -11.042 233 HE2 LYS 33 HE2 LYS 33 4.492 -21.554 -11.009 234 HE3 LYS 33 HE3 LYS 33 5.629 -22.708 -11.705 235 HZ1 LYS 33 HZ1 LYS 33 6.994 -22.101 -9.579 236 HZ2 LYS 33 HZ2 LYS 33 5.755 -23.251 -9.508 237 HZ3 LYS 33 HZ3 LYS 33 5.476 -21.673 -8.966 238 H GLY 34 H GLY 34 6.933 -17.253 -16.555 239 HA2 GLY 34 HA2 GLY 34 6.320 -15.461 -14.305 240 HA3 GLY 34 HA3 GLY 34 7.665 -15.070 -15.367 241 H VAL 35 H VAL 35 4.172 -15.630 -15.306 242 HA VAL 35 HA VAL 35 3.763 -14.528 -17.925 243 HB VAL 35 HB VAL 35 1.730 -15.046 -15.750 244 HG11 VAL 35 HG11 VAL 35 1.557 -14.127 -18.556 245 HG12 VAL 35 HG12 VAL 35 0.368 -15.323 -18.035 246 HG13 VAL 35 HG13 VAL 35 0.506 -13.786 -17.181 247 HG21 VAL 35 HG21 VAL 35 1.554 -16.959 -17.808 248 HG22 VAL 35 HG22 VAL 35 3.256 -16.857 -17.359 249 HG23 VAL 35 HG23 VAL 35 2.040 -17.213 -16.132 250 H ASN 36 H ASN 36 4.848 -12.483 -17.650 251 HA ASN 36 HA ASN 36 4.771 -10.211 -17.484 252 HB2 ASN 36 HB2 ASN 36 2.016 -10.370 -16.289 253 HB3 ASN 36 HB3 ASN 36 2.710 -9.104 -17.298 254 HD21 ASN 36 HD21 ASN 36 0.226 -10.587 -17.613 255 HD22 ASN 36 HD22 ASN 36 0.312 -11.344 -19.164 256 H SER 37 H SER 37 6.287 -11.075 -15.676 257 HA SER 37 HA SER 37 5.370 -10.694 -12.978 258 HB2 SER 37 HB2 SER 37 7.175 -12.314 -13.618 259 HB3 SER 37 HB3 SER 37 8.220 -10.937 -13.967 260 HG SER 37 HG SER 37 8.668 -10.948 -11.925 261 H CYS 38 H CYS 38 5.092 -8.784 -12.059 262 HA CYS 38 HA CYS 38 6.599 -6.478 -13.081 263 HB2 CYS 38 HB2 CYS 38 4.038 -6.622 -11.478 264 HB3 CYS 38 HB3 CYS 38 4.853 -5.122 -11.909 265 H ARG 39 H ARG 39 8.464 -6.351 -11.965 266 HA ARG 39 HA ARG 39 8.376 -6.628 -9.044 267 HB2 ARG 39 HB2 ARG 39 10.829 -6.477 -10.796 268 HB3 ARG 39 HB3 ARG 39 10.745 -6.982 -9.113 269 HG2 ARG 39 HG2 ARG 39 9.000 -8.635 -10.629 270 HG3 ARG 39 HG3 ARG 39 10.566 -8.573 -11.441 271 HD2 ARG 39 HD2 ARG 39 10.002 -9.368 -8.591 272 HD3 ARG 39 HD3 ARG 39 10.603 -10.394 -9.892 273 HE ARG 39 HE ARG 39 12.331 -8.182 -9.370 274 HH11 ARG 39 HH11 ARG 39 11.435 -11.369 -8.294 275 HH12 ARG 39 HH12 ARG 39 12.973 -11.698 -7.567 276 HH21 ARG 39 HH21 ARG 39 14.360 -8.603 -8.416 277 HH22 ARG 39 HH22 ARG 39 14.636 -10.123 -7.636 278 H CYS 40 H CYS 40 8.623 -4.919 -7.751 279 HA CYS 40 HA CYS 40 8.547 -2.294 -8.725 280 HB2 CYS 40 HB2 CYS 40 8.931 -3.558 -6.059 281 HB3 CYS 40 HB3 CYS 40 9.387 -1.865 -6.221 282 H MET 41 H MET 41 10.071 -0.792 -9.160 283 HA MET 41 HA MET 41 12.784 -1.036 -8.272 284 HB2 MET 41 HB2 MET 41 12.269 -2.517 -10.484 285 HB3 MET 41 HB3 MET 41 12.697 -0.980 -11.224 286 HG2 MET 41 HG2 MET 41 14.856 -1.256 -10.789 287 HG3 MET 41 HG3 MET 41 14.543 -1.738 -9.124 288 HE1 MET 41 HE1 MET 41 16.951 -4.196 -10.949 289 HE2 MET 41 HE2 MET 41 16.796 -2.667 -10.084 290 HE3 MET 41 HE3 MET 41 16.549 -4.192 -9.232 Start of MODEL 5 1 H1 CYS 1 H CYS 1 2.249 -0.677 1.473 2 HA CYS 1 HA CYS 1 1.058 -1.189 -1.158 3 HB2 CYS 1 HB2 CYS 1 2.621 0.603 -2.078 4 HB3 CYS 1 HB3 CYS 1 1.213 1.172 -1.188 5 H ALA 2 H ALA 2 2.896 -1.456 -2.834 6 HA ALA 2 HA ALA 2 4.572 -3.573 -1.908 7 HB1 ALA 2 HB1 ALA 2 4.532 -2.164 -4.575 8 HB2 ALA 2 HB2 ALA 2 5.369 -3.676 -4.219 9 HB3 ALA 2 HB3 ALA 2 3.608 -3.604 -4.145 10 H SER 3 H SER 3 6.520 -3.419 -1.027 11 HA SER 3 HA SER 3 7.869 -0.893 -0.850 12 HB2 SER 3 HB2 SER 3 9.212 -3.438 -0.052 13 HB3 SER 3 HB3 SER 3 9.193 -1.875 0.764 14 HG SER 3 HG SER 3 7.451 -2.443 1.805 15 H LYS 4 H LYS 4 10.497 -1.347 -1.029 16 HA LYS 4 HA LYS 4 10.991 -1.264 -3.811 17 HB2 LYS 4 HB2 LYS 4 12.399 -0.034 -2.275 18 HB3 LYS 4 HB3 LYS 4 12.883 -1.520 -1.468 19 HG2 LYS 4 HG2 LYS 4 14.445 -1.990 -2.999 20 HG3 LYS 4 HG3 LYS 4 13.424 -1.479 -4.345 21 HD2 LYS 4 HD2 LYS 4 14.212 0.648 -4.310 22 HD3 LYS 4 HD3 LYS 4 14.413 0.658 -2.556 23 HE2 LYS 4 HE2 LYS 4 16.243 -1.229 -3.528 24 HE3 LYS 4 HE3 LYS 4 16.354 0.152 -4.619 25 HZ1 LYS 4 HZ1 LYS 4 16.343 0.631 -1.724 26 HZ2 LYS 4 HZ2 LYS 4 17.078 1.524 -2.958 27 HZ3 LYS 4 HZ3 LYS 4 17.763 0.064 -2.447 28 H ASN 5 H ASN 5 11.325 -2.851 -5.218 29 HA ASN 5 HA ASN 5 11.900 -4.868 -6.115 30 HB2 ASN 5 HB2 ASN 5 13.860 -4.575 -4.413 31 HB3 ASN 5 HB3 ASN 5 13.002 -5.802 -3.485 32 HD21 ASN 5 HD21 ASN 5 13.833 -7.726 -3.782 33 HD22 ASN 5 HD22 ASN 5 14.451 -8.357 -5.267 34 H GLU 6 H GLU 6 9.479 -4.300 -4.326 35 HA GLU 6 HA GLU 6 8.762 -7.022 -3.538 36 HB2 GLU 6 HB2 GLU 6 7.517 -4.327 -3.038 37 HB3 GLU 6 HB3 GLU 6 6.658 -5.820 -2.689 38 HG2 GLU 6 HG2 GLU 6 9.329 -5.069 -1.527 39 HG3 GLU 6 HG3 GLU 6 7.778 -4.844 -0.722 40 H ARG 7 H ARG 7 6.764 -7.978 -4.222 41 HA ARG 7 HA ARG 7 6.290 -7.635 -7.021 42 HB2 ARG 7 HB2 ARG 7 4.570 -9.417 -6.678 43 HB3 ARG 7 HB3 ARG 7 6.179 -9.853 -6.116 44 HG2 ARG 7 HG2 ARG 7 5.330 -10.355 -4.139 45 HG3 ARG 7 HG3 ARG 7 4.840 -8.672 -3.935 46 HD2 ARG 7 HD2 ARG 7 2.757 -9.490 -3.851 47 HD3 ARG 7 HD3 ARG 7 2.903 -9.625 -5.603 48 HE ARG 7 HE ARG 7 3.883 -11.923 -4.185 49 HH11 ARG 7 HH11 ARG 7 1.071 -10.386 -5.544 50 HH12 ARG 7 HH12 ARG 7 0.195 -11.868 -5.741 51 HH21 ARG 7 HH21 ARG 7 2.739 -13.881 -4.438 52 HH22 ARG 7 HH22 ARG 7 1.144 -13.855 -5.110 53 H CYS 8 H CYS 8 4.974 -6.204 -7.916 54 HA CYS 8 HA CYS 8 2.652 -5.261 -6.365 55 HB2 CYS 8 HB2 CYS 8 2.904 -3.143 -7.788 56 HB3 CYS 8 HB3 CYS 8 4.082 -3.395 -6.505 57 H GLY 9 H GLY 9 1.103 -4.047 -8.059 58 HA2 GLY 9 HA2 GLY 9 0.547 -6.073 -10.129 59 HA3 GLY 9 HA3 GLY 9 -0.667 -5.066 -9.355 60 H ASN 10 H ASN 10 -0.778 -5.162 -12.008 61 HA ASN 10 HA ASN 10 -0.299 -2.444 -12.764 62 HB2 ASN 10 HB2 ASN 10 1.934 -3.564 -13.159 63 HB3 ASN 10 HB3 ASN 10 1.140 -4.549 -14.384 64 HD21 ASN 10 HD21 ASN 10 3.254 -2.371 -14.394 65 HD22 ASN 10 HD22 ASN 10 2.726 -1.289 -15.633 66 H ALA 11 H ALA 11 -2.238 -2.019 -13.588 67 HA ALA 11 HA ALA 11 -4.014 -3.874 -14.683 68 HB1 ALA 11 HB1 ALA 11 -4.630 -1.634 -13.808 69 HB2 ALA 11 HB2 ALA 11 -3.945 -0.918 -15.268 70 HB3 ALA 11 HB3 ALA 11 -5.336 -1.996 -15.383 71 H LEU 12 H LEU 12 -1.514 -1.923 -16.188 72 HA LEU 12 HA LEU 12 -2.265 -2.239 -18.868 73 HB2 LEU 12 HB2 LEU 12 -0.492 -0.709 -17.872 74 HB3 LEU 12 HB3 LEU 12 0.577 -2.110 -17.900 75 HG LEU 12 HG LEU 12 -0.130 -2.144 -20.453 76 HD11 LEU 12 HD11 LEU 12 -0.096 0.805 -20.065 77 HD12 LEU 12 HD12 LEU 12 -1.615 -0.062 -19.843 78 HD13 LEU 12 HD13 LEU 12 -0.765 -0.156 -21.385 79 HD21 LEU 12 HD21 LEU 12 1.985 -0.650 -18.992 80 HD22 LEU 12 HD22 LEU 12 1.826 -0.388 -20.729 81 HD23 LEU 12 HD23 LEU 12 2.122 -2.011 -20.106 82 H TYR 13 H TYR 13 -0.823 -4.436 -16.632 83 HA TYR 13 HA TYR 13 -0.207 -6.319 -18.805 84 HB2 TYR 13 HB2 TYR 13 0.865 -5.949 -16.040 85 HB3 TYR 13 HB3 TYR 13 0.898 -7.559 -16.749 86 HD1 TYR 13 HD2 TYR 13 1.878 -4.040 -17.513 87 HD2 TYR 13 HD1 TYR 13 2.703 -8.177 -18.068 88 HE1 TYR 13 HE2 TYR 13 3.944 -3.461 -18.715 89 HE2 TYR 13 HE1 TYR 13 4.772 -7.610 -19.271 90 HH TYR 13 HH TYR 13 5.579 -5.488 -20.645 91 H GLY 14 H GLY 14 -2.842 -5.623 -17.357 92 HA2 GLY 14 HA2 GLY 14 -4.748 -6.768 -16.789 93 HA3 GLY 14 HA3 GLY 14 -3.998 -8.182 -17.514 94 H THR 15 H THR 15 -2.329 -6.620 -14.936 95 HA THR 15 HA THR 15 -3.100 -8.828 -13.142 96 HB THR 15 HB THR 15 -0.910 -8.549 -12.047 97 HG1 THR 15 HG1 THR 15 -0.175 -6.851 -14.198 98 HG21 THR 15 HG21 THR 15 -0.895 -10.248 -13.659 99 HG22 THR 15 HG22 THR 15 0.501 -9.257 -14.080 100 HG23 THR 15 HG23 THR 15 -0.997 -9.105 -14.997 101 H LYS 16 H LYS 16 -4.147 -8.302 -11.344 102 HA LYS 16 HA LYS 16 -4.280 -5.486 -10.560 103 HB2 LYS 16 HB2 LYS 16 -6.455 -6.193 -10.627 104 HB3 LYS 16 HB3 LYS 16 -6.042 -7.854 -10.221 105 HG2 LYS 16 HG2 LYS 16 -6.118 -7.474 -7.972 106 HG3 LYS 16 HG3 LYS 16 -5.696 -5.767 -8.134 107 HD2 LYS 16 HD2 LYS 16 -7.919 -5.609 -7.574 108 HD3 LYS 16 HD3 LYS 16 -8.026 -5.630 -9.336 109 HE2 LYS 16 HE2 LYS 16 -8.830 -7.789 -9.393 110 HE3 LYS 16 HE3 LYS 16 -8.119 -8.207 -7.835 111 HZ1 LYS 16 HZ1 LYS 16 -9.895 -7.438 -6.721 112 HZ2 LYS 16 HZ2 LYS 16 -10.703 -7.688 -8.185 113 HZ3 LYS 16 HZ3 LYS 16 -10.155 -6.141 -7.775 114 H GLY 17 H GLY 17 -2.916 -4.814 -9.046 115 HA2 GLY 17 HA2 GLY 17 -2.624 -6.309 -6.586 116 HA3 GLY 17 HA3 GLY 17 -1.154 -6.202 -7.543 117 HA PRO 18 HA PRO 18 -1.598 -2.477 -4.710 118 HB2 PRO 18 HB2 PRO 18 0.687 -2.897 -3.306 119 HB3 PRO 18 HB3 PRO 18 -0.871 -3.582 -2.831 120 HG2 PRO 18 HG2 PRO 18 1.393 -4.870 -4.305 121 HG3 PRO 18 HG3 PRO 18 0.392 -5.527 -2.996 122 HD2 PRO 18 HD2 PRO 18 -0.017 -6.153 -5.599 123 HD3 PRO 18 HD3 PRO 18 -1.341 -6.058 -4.419 124 H GLY 19 H GLY 19 -0.278 -0.588 -4.744 125 HA2 GLY 19 HA2 GLY 19 1.427 -0.462 -7.107 126 HA3 GLY 19 HA3 GLY 19 0.809 0.906 -6.194 127 H CYS 20 H CYS 20 3.472 0.676 -7.072 128 HA CYS 20 HA CYS 20 5.128 -0.224 -4.908 129 HB2 CYS 20 HB2 CYS 20 5.808 1.499 -7.300 130 HB3 CYS 20 HB3 CYS 20 6.974 0.760 -6.208 131 H CYS 21 H CYS 21 5.709 0.862 -3.147 132 HA CYS 21 HA CYS 21 4.625 3.361 -2.482 133 HB2 CYS 21 HB2 CYS 21 7.072 2.096 -1.239 134 HB3 CYS 21 HB3 CYS 21 5.976 3.253 -0.491 135 H ASN 22 H ASN 22 7.792 2.449 -3.745 136 HA ASN 22 HA ASN 22 8.209 5.163 -4.667 137 HB2 ASN 22 HB2 ASN 22 9.154 5.301 -2.431 138 HB3 ASN 22 HB3 ASN 22 10.115 3.853 -2.717 139 HD21 ASN 22 HD21 ASN 22 9.885 7.235 -3.114 140 HD22 ASN 22 HD22 ASN 22 11.396 7.474 -3.917 141 H GLY 23 H GLY 23 8.431 4.625 -6.765 142 HA2 GLY 23 HA2 GLY 23 10.402 4.071 -8.249 143 HA3 GLY 23 HA3 GLY 23 10.387 2.516 -7.431 144 H LYS 24 H LYS 24 10.183 2.822 -10.217 145 HA LYS 24 HA LYS 24 7.386 2.472 -10.913 146 HB2 LYS 24 HB2 LYS 24 8.286 2.180 -13.229 147 HB3 LYS 24 HB3 LYS 24 8.710 3.713 -12.480 148 HG2 LYS 24 HG2 LYS 24 10.937 2.991 -12.068 149 HG3 LYS 24 HG3 LYS 24 10.545 1.331 -12.523 150 HD2 LYS 24 HD2 LYS 24 9.973 3.364 -14.572 151 HD3 LYS 24 HD3 LYS 24 11.681 3.144 -14.186 152 HE2 LYS 24 HE2 LYS 24 10.615 0.566 -14.369 153 HE3 LYS 24 HE3 LYS 24 9.909 1.460 -15.715 154 HZ1 LYS 24 HZ1 LYS 24 12.017 0.397 -16.301 155 HZ2 LYS 24 HZ2 LYS 24 12.813 1.301 -15.114 156 HZ3 LYS 24 HZ3 LYS 24 12.108 2.081 -16.440 157 H CYS 25 H CYS 25 6.426 0.582 -11.552 158 HA CYS 25 HA CYS 25 7.638 -1.851 -10.613 159 HB2 CYS 25 HB2 CYS 25 4.973 -1.136 -11.799 160 HB3 CYS 25 HB3 CYS 25 5.444 -2.823 -11.621 161 H ILE 26 H ILE 26 8.334 -3.589 -11.800 162 HA ILE 26 HA ILE 26 8.587 -3.151 -14.705 163 HB ILE 26 HB ILE 26 10.492 -4.605 -12.866 164 HG12 ILE 26 HG12 ILE 26 10.854 -2.059 -14.460 165 HG13 ILE 26 HG13 ILE 26 10.574 -2.130 -12.724 166 HG21 ILE 26 HG21 ILE 26 11.656 -4.172 -15.382 167 HG22 ILE 26 HG22 ILE 26 11.186 -5.710 -14.660 168 HG23 ILE 26 HG23 ILE 26 10.051 -4.836 -15.688 169 HD11 ILE 26 HD11 ILE 26 13.006 -1.986 -13.876 170 HD12 ILE 26 HD12 ILE 26 12.701 -2.675 -12.281 171 HD13 ILE 26 HD13 ILE 26 12.836 -3.731 -13.686 172 H CYS 27 H CYS 27 6.841 -4.314 -15.405 173 HA CYS 27 HA CYS 27 6.378 -7.003 -14.425 174 HB2 CYS 27 HB2 CYS 27 4.966 -5.292 -16.475 175 HB3 CYS 27 HB3 CYS 27 4.496 -6.951 -16.119 176 H ARG 28 H ARG 28 6.898 -8.859 -15.435 177 HA ARG 28 HA ARG 28 7.982 -8.708 -18.163 178 HB2 ARG 28 HB2 ARG 28 9.881 -8.781 -16.638 179 HB3 ARG 28 HB3 ARG 28 9.210 -10.194 -15.834 180 HG2 ARG 28 HG2 ARG 28 9.575 -11.558 -17.741 181 HG3 ARG 28 HG3 ARG 28 9.969 -10.159 -18.742 182 HD2 ARG 28 HD2 ARG 28 11.768 -9.918 -16.706 183 HD3 ARG 28 HD3 ARG 28 11.637 -11.669 -16.866 184 HE ARG 28 HE ARG 28 11.975 -10.873 -19.415 185 HH11 ARG 28 HH11 ARG 28 13.696 -10.158 -16.474 186 HH12 ARG 28 HH12 ARG 28 15.220 -9.935 -17.267 187 HH21 ARG 28 HH21 ARG 28 13.976 -10.581 -20.470 188 HH22 ARG 28 HH22 ARG 28 15.378 -10.175 -19.540 189 H THR 29 H THR 29 7.842 -10.659 -19.378 190 HA THR 29 HA THR 29 6.310 -12.862 -18.254 191 HB THR 29 HB THR 29 5.277 -11.779 -20.838 192 HG1 THR 29 HG1 THR 29 4.729 -9.989 -19.846 193 HG21 THR 29 HG21 THR 29 4.596 -13.842 -19.013 194 HG22 THR 29 HG22 THR 29 3.787 -13.402 -20.517 195 HG23 THR 29 HG23 THR 29 3.288 -12.660 -18.997 196 H VAL 30 H VAL 30 7.505 -14.567 -18.781 197 HA VAL 30 HA VAL 30 8.070 -15.166 -21.532 198 HB VAL 30 HB VAL 30 10.589 -15.585 -20.820 199 HG11 VAL 30 HG11 VAL 30 9.488 -14.067 -22.630 200 HG12 VAL 30 HG12 VAL 30 9.901 -12.762 -21.516 201 HG13 VAL 30 HG13 VAL 30 11.168 -13.803 -22.166 202 HG21 VAL 30 HG21 VAL 30 9.845 -13.156 -19.193 203 HG22 VAL 30 HG22 VAL 30 10.249 -14.739 -18.528 204 HG23 VAL 30 HG23 VAL 30 11.465 -13.818 -19.413 205 HA PRO 31 HA PRO 31 7.505 -19.328 -20.285 206 HB2 PRO 31 HB2 PRO 31 9.956 -19.874 -21.897 207 HB3 PRO 31 HB3 PRO 31 8.366 -20.642 -21.971 208 HG2 PRO 31 HG2 PRO 31 9.138 -18.851 -23.808 209 HG3 PRO 31 HG3 PRO 31 7.457 -18.948 -23.251 210 HD2 PRO 31 HD2 PRO 31 9.530 -16.926 -22.666 211 HD3 PRO 31 HD3 PRO 31 7.764 -16.762 -22.729 212 H ARG 32 H ARG 32 10.628 -17.784 -19.979 213 HA ARG 32 HA ARG 32 11.814 -19.806 -18.349 214 HB2 ARG 32 HB2 ARG 32 13.537 -18.081 -17.884 215 HB3 ARG 32 HB3 ARG 32 13.233 -18.306 -19.601 216 HG2 ARG 32 HG2 ARG 32 12.665 -16.178 -19.862 217 HG3 ARG 32 HG3 ARG 32 11.544 -16.241 -18.501 218 HD2 ARG 32 HD2 ARG 32 12.968 -14.862 -17.470 219 HD3 ARG 32 HD3 ARG 32 13.997 -16.280 -17.270 220 HE ARG 32 HE ARG 32 14.390 -14.941 -19.775 221 HH11 ARG 32 HH11 ARG 32 15.261 -14.990 -16.405 222 HH12 ARG 32 HH12 ARG 32 16.781 -14.196 -16.652 223 HH21 ARG 32 HH21 ARG 32 16.389 -13.895 -20.114 224 HH22 ARG 32 HH22 ARG 32 17.421 -13.573 -18.762 225 H LYS 33 H LYS 33 9.825 -19.962 -16.954 226 HA LYS 33 HA LYS 33 8.674 -19.560 -15.021 227 HB2 LYS 33 HB2 LYS 33 11.160 -20.110 -14.368 228 HB3 LYS 33 HB3 LYS 33 11.188 -18.429 -13.852 229 HG2 LYS 33 HG2 LYS 33 9.156 -18.941 -12.456 230 HG3 LYS 33 HG3 LYS 33 9.434 -20.644 -12.828 231 HD2 LYS 33 HD2 LYS 33 11.893 -19.977 -12.011 232 HD3 LYS 33 HD3 LYS 33 10.960 -18.801 -11.082 233 HE2 LYS 33 HE2 LYS 33 9.506 -21.034 -10.649 234 HE3 LYS 33 HE3 LYS 33 11.114 -21.735 -10.831 235 HZ1 LYS 33 HZ1 LYS 33 11.602 -19.666 -9.200 236 HZ2 LYS 33 HZ2 LYS 33 11.292 -21.242 -8.668 237 HZ3 LYS 33 HZ3 LYS 33 10.044 -20.099 -8.701 238 H GLY 34 H GLY 34 8.639 -17.393 -16.930 239 HA2 GLY 34 HA2 GLY 34 8.576 -15.041 -15.155 240 HA3 GLY 34 HA3 GLY 34 8.688 -14.980 -16.908 241 H VAL 35 H VAL 35 6.500 -16.340 -14.438 242 HA VAL 35 HA VAL 35 4.214 -15.967 -16.155 243 HB VAL 35 HB VAL 35 4.224 -17.895 -14.706 244 HG11 VAL 35 HG11 VAL 35 5.157 -15.991 -12.755 245 HG12 VAL 35 HG12 VAL 35 3.783 -16.908 -12.133 246 HG13 VAL 35 HG13 VAL 35 5.216 -17.753 -12.721 247 HG21 VAL 35 HG21 VAL 35 2.108 -16.309 -15.089 248 HG22 VAL 35 HG22 VAL 35 2.022 -17.808 -14.163 249 HG23 VAL 35 HG23 VAL 35 2.177 -16.263 -13.327 250 H ASN 36 H ASN 36 4.636 -13.598 -16.344 251 HA ASN 36 HA ASN 36 4.065 -11.440 -15.908 252 HB2 ASN 36 HB2 ASN 36 2.033 -12.847 -14.170 253 HB3 ASN 36 HB3 ASN 36 2.038 -11.106 -14.433 254 HD21 ASN 36 HD21 ASN 36 1.840 -10.359 -16.651 255 HD22 ASN 36 HD22 ASN 36 0.907 -11.290 -17.768 256 H SER 37 H SER 37 6.310 -11.790 -14.769 257 HA SER 37 HA SER 37 6.197 -11.432 -11.891 258 HB2 SER 37 HB2 SER 37 8.799 -11.101 -12.416 259 HB3 SER 37 HB3 SER 37 8.057 -12.698 -12.328 260 HG SER 37 HG SER 37 9.236 -12.570 -14.220 261 H CYS 38 H CYS 38 5.556 -9.473 -11.239 262 HA CYS 38 HA CYS 38 6.699 -7.112 -12.576 263 HB2 CYS 38 HB2 CYS 38 4.179 -7.371 -10.923 264 HB3 CYS 38 HB3 CYS 38 4.790 -5.862 -11.594 265 H ARG 39 H ARG 39 8.596 -6.873 -11.453 266 HA ARG 39 HA ARG 39 8.513 -6.794 -8.536 267 HB2 ARG 39 HB2 ARG 39 10.358 -7.877 -10.114 268 HB3 ARG 39 HB3 ARG 39 11.011 -6.245 -10.066 269 HG2 ARG 39 HG2 ARG 39 12.079 -7.520 -8.364 270 HG3 ARG 39 HG3 ARG 39 10.984 -6.381 -7.580 271 HD2 ARG 39 HD2 ARG 39 10.848 -8.591 -6.552 272 HD3 ARG 39 HD3 ARG 39 9.322 -8.146 -7.315 273 HE ARG 39 HE ARG 39 9.550 -9.954 -8.682 274 HH11 ARG 39 HH11 ARG 39 12.684 -9.122 -7.415 275 HH12 ARG 39 HH12 ARG 39 13.478 -10.490 -8.123 276 HH21 ARG 39 HH21 ARG 39 10.583 -11.759 -9.618 277 HH22 ARG 39 HH22 ARG 39 12.282 -11.989 -9.377 278 H CYS 40 H CYS 40 8.871 -4.986 -7.324 279 HA CYS 40 HA CYS 40 8.421 -2.454 -8.618 280 HB2 CYS 40 HB2 CYS 40 8.526 -3.448 -5.816 281 HB3 CYS 40 HB3 CYS 40 8.855 -1.738 -6.075 282 H MET 41 H MET 41 9.889 -0.976 -9.173 283 HA MET 41 HA MET 41 12.504 -0.945 -7.894 284 HB2 MET 41 HB2 MET 41 12.131 -2.232 -10.362 285 HB3 MET 41 HB3 MET 41 12.874 -0.685 -10.747 286 HG2 MET 41 HG2 MET 41 14.753 -1.889 -10.411 287 HG3 MET 41 HG3 MET 41 14.466 -1.387 -8.747 288 HE1 MET 41 HE1 MET 41 15.318 -2.647 -7.378 289 HE2 MET 41 HE2 MET 41 14.326 -3.946 -6.716 290 HE3 MET 41 HE3 MET 41 15.792 -4.329 -7.619 Start of MODEL 6 1 H1 CYS 1 H CYS 1 1.992 1.022 0.393 2 HA CYS 1 HA CYS 1 1.650 0.102 -2.378 3 HB2 CYS 1 HB2 CYS 1 3.605 1.662 -2.941 4 HB3 CYS 1 HB3 CYS 1 2.029 2.406 -2.693 5 H ALA 2 H ALA 2 3.487 -0.980 -3.277 6 HA ALA 2 HA ALA 2 4.844 -2.626 -1.372 7 HB1 ALA 2 HB1 ALA 2 5.194 -2.422 -4.361 8 HB2 ALA 2 HB2 ALA 2 5.858 -3.691 -3.331 9 HB3 ALA 2 HB3 ALA 2 4.111 -3.526 -3.512 10 H SER 3 H SER 3 7.218 -2.968 -1.434 11 HA SER 3 HA SER 3 8.588 -0.370 -1.537 12 HB2 SER 3 HB2 SER 3 9.816 -2.744 -0.207 13 HB3 SER 3 HB3 SER 3 9.906 -1.039 0.233 14 HG SER 3 HG SER 3 8.407 -1.503 1.619 15 H LYS 4 H LYS 4 11.194 -1.115 -1.614 16 HA LYS 4 HA LYS 4 11.619 -1.611 -4.360 17 HB2 LYS 4 HB2 LYS 4 13.909 -1.356 -3.914 18 HB3 LYS 4 HB3 LYS 4 13.120 -0.345 -2.711 19 HG2 LYS 4 HG2 LYS 4 13.294 -2.603 -1.302 20 HG3 LYS 4 HG3 LYS 4 14.675 -2.834 -2.376 21 HD2 LYS 4 HD2 LYS 4 14.858 -0.183 -1.546 22 HD3 LYS 4 HD3 LYS 4 14.379 -1.074 -0.099 23 HE2 LYS 4 HE2 LYS 4 16.257 -2.727 -0.859 24 HE3 LYS 4 HE3 LYS 4 16.844 -1.334 -1.765 25 HZ1 LYS 4 HZ1 LYS 4 17.548 -0.335 0.089 26 HZ2 LYS 4 HZ2 LYS 4 17.438 -1.862 0.808 27 HZ3 LYS 4 HZ3 LYS 4 16.170 -0.755 0.977 28 H ASN 5 H ASN 5 12.115 -3.423 -5.476 29 HA ASN 5 HA ASN 5 12.381 -5.626 -5.975 30 HB2 ASN 5 HB2 ASN 5 13.717 -5.378 -3.330 31 HB3 ASN 5 HB3 ASN 5 13.341 -7.007 -3.886 32 HD21 ASN 5 HD21 ASN 5 15.374 -7.686 -4.302 33 HD22 ASN 5 HD22 ASN 5 16.394 -6.999 -5.516 34 H GLU 6 H GLU 6 10.004 -4.485 -4.355 35 HA GLU 6 HA GLU 6 8.938 -7.000 -3.292 36 HB2 GLU 6 HB2 GLU 6 7.945 -4.156 -3.048 37 HB3 GLU 6 HB3 GLU 6 7.118 -5.555 -2.377 38 HG2 GLU 6 HG2 GLU 6 9.951 -4.882 -1.661 39 HG3 GLU 6 HG3 GLU 6 8.572 -4.195 -0.805 40 H ARG 7 H ARG 7 6.932 -7.823 -3.964 41 HA ARG 7 HA ARG 7 6.402 -7.531 -6.746 42 HB2 ARG 7 HB2 ARG 7 6.059 -9.681 -5.763 43 HB3 ARG 7 HB3 ARG 7 4.982 -9.019 -4.540 44 HG2 ARG 7 HG2 ARG 7 3.225 -8.778 -6.032 45 HG3 ARG 7 HG3 ARG 7 4.287 -8.819 -7.440 46 HD2 ARG 7 HD2 ARG 7 3.817 -10.982 -7.642 47 HD3 ARG 7 HD3 ARG 7 4.692 -11.254 -6.136 48 HE ARG 7 HE ARG 7 2.690 -11.576 -5.070 49 HH11 ARG 7 HH11 ARG 7 2.116 -10.086 -8.164 50 HH12 ARG 7 HH12 ARG 7 0.395 -10.263 -8.075 51 HH21 ARG 7 HH21 ARG 7 0.426 -11.814 -4.942 52 HH22 ARG 7 HH22 ARG 7 -0.566 -11.244 -6.241 53 H CYS 8 H CYS 8 4.723 -6.545 -7.798 54 HA CYS 8 HA CYS 8 2.755 -5.075 -6.201 55 HB2 CYS 8 HB2 CYS 8 3.084 -3.087 -7.715 56 HB3 CYS 8 HB3 CYS 8 4.417 -3.405 -6.610 57 H GLY 9 H GLY 9 1.114 -3.996 -7.793 58 HA2 GLY 9 HA2 GLY 9 0.405 -6.067 -9.771 59 HA3 GLY 9 HA3 GLY 9 -0.754 -5.060 -8.916 60 H ASN 10 H ASN 10 -0.975 -5.258 -11.603 61 HA ASN 10 HA ASN 10 -0.682 -2.530 -12.419 62 HB2 ASN 10 HB2 ASN 10 1.593 -3.476 -12.891 63 HB3 ASN 10 HB3 ASN 10 0.837 -4.601 -14.017 64 HD21 ASN 10 HD21 ASN 10 2.822 -2.632 -14.605 65 HD22 ASN 10 HD22 ASN 10 2.130 -1.536 -15.748 66 H ALA 11 H ALA 11 -2.680 -2.238 -13.159 67 HA ALA 11 HA ALA 11 -4.379 -4.211 -14.165 68 HB1 ALA 11 HB1 ALA 11 -5.299 -2.177 -13.324 69 HB2 ALA 11 HB2 ALA 11 -4.430 -1.221 -14.525 70 HB3 ALA 11 HB3 ALA 11 -5.734 -2.297 -15.030 71 H LEU 12 H LEU 12 -2.089 -2.102 -15.793 72 HA LEU 12 HA LEU 12 -2.927 -2.515 -18.435 73 HB2 LEU 12 HB2 LEU 12 -1.221 -0.848 -17.498 74 HB3 LEU 12 HB3 LEU 12 -0.056 -2.164 -17.633 75 HG LEU 12 HG LEU 12 -1.012 -2.178 -20.135 76 HD11 LEU 12 HD11 LEU 12 -1.244 0.689 -19.231 77 HD12 LEU 12 HD12 LEU 12 -2.567 -0.348 -19.764 78 HD13 LEU 12 HD13 LEU 12 -1.307 0.128 -20.902 79 HD21 LEU 12 HD21 LEU 12 1.178 -1.891 -20.361 80 HD22 LEU 12 HD22 LEU 12 1.297 -1.136 -18.771 81 HD23 LEU 12 HD23 LEU 12 0.918 -0.155 -20.188 82 H TYR 13 H TYR 13 -1.230 -4.560 -16.236 83 HA TYR 13 HA TYR 13 -0.570 -6.425 -18.413 84 HB2 TYR 13 HB2 TYR 13 0.665 -5.837 -15.774 85 HB3 TYR 13 HB3 TYR 13 0.713 -7.508 -16.327 86 HD1 TYR 13 HD2 TYR 13 1.781 -4.063 -17.095 87 HD2 TYR 13 HD1 TYR 13 2.146 -8.177 -18.118 88 HE1 TYR 13 HE2 TYR 13 3.728 -3.535 -18.502 89 HE2 TYR 13 HE1 TYR 13 4.094 -7.660 -19.527 90 HH TYR 13 HH TYR 13 5.495 -4.434 -19.613 91 H GLY 14 H GLY 14 -3.207 -5.972 -17.020 92 HA2 GLY 14 HA2 GLY 14 -4.955 -7.233 -16.230 93 HA3 GLY 14 HA3 GLY 14 -4.148 -8.585 -17.010 94 H THR 15 H THR 15 -2.565 -6.815 -14.474 95 HA THR 15 HA THR 15 -3.023 -9.090 -12.653 96 HB THR 15 HB THR 15 -0.708 -8.175 -11.698 97 HG1 THR 15 HG1 THR 15 0.578 -7.742 -13.710 98 HG21 THR 15 HG21 THR 15 -0.739 -9.920 -14.154 99 HG22 THR 15 HG22 THR 15 -1.299 -10.473 -12.575 100 HG23 THR 15 HG23 THR 15 0.380 -9.980 -12.793 101 H LYS 16 H LYS 16 -3.764 -8.642 -10.669 102 HA LYS 16 HA LYS 16 -4.147 -5.825 -9.962 103 HB2 LYS 16 HB2 LYS 16 -5.447 -8.374 -9.015 104 HB3 LYS 16 HB3 LYS 16 -5.684 -6.839 -8.190 105 HG2 LYS 16 HG2 LYS 16 -6.153 -6.426 -10.956 106 HG3 LYS 16 HG3 LYS 16 -7.044 -7.864 -10.452 107 HD2 LYS 16 HD2 LYS 16 -8.189 -6.657 -8.752 108 HD3 LYS 16 HD3 LYS 16 -7.133 -5.256 -8.946 109 HE2 LYS 16 HE2 LYS 16 -8.629 -4.421 -10.363 110 HE3 LYS 16 HE3 LYS 16 -8.213 -5.721 -11.479 111 HZ1 LYS 16 HZ1 LYS 16 -9.918 -7.092 -10.333 112 HZ2 LYS 16 HZ2 LYS 16 -10.553 -5.750 -11.144 113 HZ3 LYS 16 HZ3 LYS 16 -10.388 -5.721 -9.461 114 H GLY 17 H GLY 17 -3.285 -4.906 -8.165 115 HA2 GLY 17 HA2 GLY 17 -2.383 -6.138 -5.864 116 HA3 GLY 17 HA3 GLY 17 -1.019 -6.160 -6.972 117 HA PRO 18 HA PRO 18 -1.268 -2.092 -4.598 118 HB2 PRO 18 HB2 PRO 18 1.068 -2.371 -3.243 119 HB3 PRO 18 HB3 PRO 18 -0.481 -2.946 -2.616 120 HG2 PRO 18 HG2 PRO 18 1.694 -4.478 -3.987 121 HG3 PRO 18 HG3 PRO 18 0.738 -4.925 -2.562 122 HD2 PRO 18 HD2 PRO 18 0.206 -5.891 -5.035 123 HD3 PRO 18 HD3 PRO 18 -1.064 -5.604 -3.828 124 H GLY 19 H GLY 19 0.315 -0.308 -4.736 125 HA2 GLY 19 HA2 GLY 19 1.713 -0.428 -7.290 126 HA3 GLY 19 HA3 GLY 19 1.381 1.019 -6.350 127 H CYS 20 H CYS 20 3.359 1.913 -6.161 128 HA CYS 20 HA CYS 20 5.305 0.476 -4.538 129 HB2 CYS 20 HB2 CYS 20 6.004 1.691 -7.221 130 HB3 CYS 20 HB3 CYS 20 7.164 1.053 -6.060 131 H CYS 21 H CYS 21 6.179 1.767 -3.048 132 HA CYS 21 HA CYS 21 5.389 4.493 -2.856 133 HB2 CYS 21 HB2 CYS 21 7.575 3.143 -1.269 134 HB3 CYS 21 HB3 CYS 21 6.608 4.536 -0.797 135 H ASN 22 H ASN 22 8.319 2.853 -3.887 136 HA ASN 22 HA ASN 22 9.249 5.308 -5.123 137 HB2 ASN 22 HB2 ASN 22 11.585 4.871 -4.122 138 HB3 ASN 22 HB3 ASN 22 10.380 5.640 -3.093 139 HD21 ASN 22 HD21 ASN 22 11.665 4.915 -1.316 140 HD22 ASN 22 HD22 ASN 22 11.523 3.289 -0.749 141 H GLY 23 H GLY 23 9.191 4.453 -7.143 142 HA2 GLY 23 HA2 GLY 23 10.966 3.381 -8.604 143 HA3 GLY 23 HA3 GLY 23 10.714 1.964 -7.596 144 H LYS 24 H LYS 24 10.377 2.265 -10.482 145 HA LYS 24 HA LYS 24 7.505 2.132 -10.903 146 HB2 LYS 24 HB2 LYS 24 9.362 3.138 -12.483 147 HB3 LYS 24 HB3 LYS 24 9.499 1.473 -13.032 148 HG2 LYS 24 HG2 LYS 24 7.533 1.529 -14.121 149 HG3 LYS 24 HG3 LYS 24 6.760 2.535 -12.894 150 HD2 LYS 24 HD2 LYS 24 7.806 4.510 -13.768 151 HD3 LYS 24 HD3 LYS 24 8.787 3.553 -14.881 152 HE2 LYS 24 HE2 LYS 24 7.095 3.295 -16.353 153 HE3 LYS 24 HE3 LYS 24 5.876 3.157 -15.087 154 HZ1 LYS 24 HZ1 LYS 24 5.347 5.160 -16.036 155 HZ2 LYS 24 HZ2 LYS 24 6.953 5.571 -16.371 156 HZ3 LYS 24 HZ3 LYS 24 6.367 5.673 -14.787 157 H CYS 25 H CYS 25 6.387 0.314 -11.622 158 HA CYS 25 HA CYS 25 7.319 -2.177 -10.597 159 HB2 CYS 25 HB2 CYS 25 4.864 -1.248 -12.032 160 HB3 CYS 25 HB3 CYS 25 5.180 -2.976 -11.917 161 H ILE 26 H ILE 26 8.520 -3.662 -11.571 162 HA ILE 26 HA ILE 26 9.026 -3.410 -14.441 163 HB ILE 26 HB ILE 26 10.454 -5.049 -12.345 164 HG12 ILE 26 HG12 ILE 26 10.827 -2.652 -12.083 165 HG13 ILE 26 HG13 ILE 26 12.285 -3.428 -12.693 166 HG21 ILE 26 HG21 ILE 26 11.306 -6.226 -14.023 167 HG22 ILE 26 HG22 ILE 26 10.453 -5.236 -15.206 168 HG23 ILE 26 HG23 ILE 26 12.047 -4.747 -14.632 169 HD11 ILE 26 HD11 ILE 26 10.304 -1.807 -14.270 170 HD12 ILE 26 HD12 ILE 26 11.955 -1.357 -13.842 171 HD13 ILE 26 HD13 ILE 26 11.665 -2.683 -14.969 172 H CYS 27 H CYS 27 7.104 -4.330 -15.232 173 HA CYS 27 HA CYS 27 6.359 -7.012 -14.464 174 HB2 CYS 27 HB2 CYS 27 5.298 -5.102 -16.549 175 HB3 CYS 27 HB3 CYS 27 4.656 -6.724 -16.317 176 H ARG 28 H ARG 28 7.408 -8.726 -15.202 177 HA ARG 28 HA ARG 28 8.606 -8.604 -17.888 178 HB2 ARG 28 HB2 ARG 28 10.203 -8.968 -16.045 179 HB3 ARG 28 HB3 ARG 28 9.316 -10.409 -15.569 180 HG2 ARG 28 HG2 ARG 28 11.323 -10.959 -16.839 181 HG3 ARG 28 HG3 ARG 28 9.860 -11.468 -17.686 182 HD2 ARG 28 HD2 ARG 28 10.417 -10.247 -19.455 183 HD3 ARG 28 HD3 ARG 28 10.513 -8.796 -18.458 184 HE ARG 28 HE ARG 28 12.706 -10.419 -19.385 185 HH11 ARG 28 HH11 ARG 28 11.636 -8.088 -17.031 186 HH12 ARG 28 HH12 ARG 28 13.232 -7.512 -16.683 187 HH21 ARG 28 HH21 ARG 28 14.813 -9.670 -18.935 188 HH22 ARG 28 HH22 ARG 28 15.039 -8.412 -17.767 189 H THR 29 H THR 29 8.499 -10.499 -19.220 190 HA THR 29 HA THR 29 6.542 -12.533 -18.495 191 HB THR 29 HB THR 29 6.171 -11.292 -21.184 192 HG1 THR 29 HG1 THR 29 5.043 -10.267 -18.772 193 HG21 THR 29 HG21 THR 29 3.719 -11.867 -20.108 194 HG22 THR 29 HG22 THR 29 4.746 -13.094 -19.367 195 HG23 THR 29 HG23 THR 29 4.662 -12.957 -21.123 196 H VAL 30 H VAL 30 7.894 -14.231 -18.694 197 HA VAL 30 HA VAL 30 8.778 -14.947 -21.353 198 HB VAL 30 HB VAL 30 11.120 -15.479 -20.470 199 HG11 VAL 30 HG11 VAL 30 11.962 -13.431 -21.241 200 HG12 VAL 30 HG12 VAL 30 10.408 -13.608 -22.058 201 HG13 VAL 30 HG13 VAL 30 10.556 -12.537 -20.664 202 HG21 VAL 30 HG21 VAL 30 10.703 -15.144 -18.110 203 HG22 VAL 30 HG22 VAL 30 11.920 -13.995 -18.667 204 HG23 VAL 30 HG23 VAL 30 10.260 -13.462 -18.399 205 HA PRO 31 HA PRO 31 7.623 -19.004 -20.142 206 HB2 PRO 31 HB2 PRO 31 10.141 -19.801 -21.529 207 HB3 PRO 31 HB3 PRO 31 8.496 -20.410 -21.745 208 HG2 PRO 31 HG2 PRO 31 9.601 -18.718 -23.504 209 HG3 PRO 31 HG3 PRO 31 7.876 -18.646 -23.100 210 HD2 PRO 31 HD2 PRO 31 10.078 -16.832 -22.331 211 HD3 PRO 31 HD3 PRO 31 8.349 -16.496 -22.551 212 H ARG 32 H ARG 32 10.888 -17.830 -19.610 213 HA ARG 32 HA ARG 32 11.669 -19.930 -17.840 214 HB2 ARG 32 HB2 ARG 32 13.121 -18.212 -19.194 215 HB3 ARG 32 HB3 ARG 32 12.914 -17.209 -17.765 216 HG2 ARG 32 HG2 ARG 32 14.007 -18.796 -16.384 217 HG3 ARG 32 HG3 ARG 32 13.981 -20.016 -17.659 218 HD2 ARG 32 HD2 ARG 32 16.163 -19.228 -17.736 219 HD3 ARG 32 HD3 ARG 32 15.364 -18.307 -19.009 220 HE ARG 32 HE ARG 32 15.349 -16.966 -16.477 221 HH11 ARG 32 HH11 ARG 32 17.222 -17.603 -19.341 222 HH12 ARG 32 HH12 ARG 32 18.180 -16.167 -19.193 223 HH21 ARG 32 HH21 ARG 32 16.603 -15.072 -16.271 224 HH22 ARG 32 HH22 ARG 32 17.827 -14.728 -17.446 225 H LYS 33 H LYS 33 9.665 -19.862 -16.535 226 HA LYS 33 HA LYS 33 8.438 -19.272 -14.700 227 HB2 LYS 33 HB2 LYS 33 11.278 -18.757 -13.846 228 HB3 LYS 33 HB3 LYS 33 9.934 -18.543 -12.732 229 HG2 LYS 33 HG2 LYS 33 9.318 -20.861 -12.957 230 HG3 LYS 33 HG3 LYS 33 10.556 -21.102 -14.192 231 HD2 LYS 33 HD2 LYS 33 12.289 -20.975 -12.663 232 HD3 LYS 33 HD3 LYS 33 11.325 -20.073 -11.491 233 HE2 LYS 33 HE2 LYS 33 10.998 -22.003 -10.431 234 HE3 LYS 33 HE3 LYS 33 9.978 -22.483 -11.787 235 HZ1 LYS 33 HZ1 LYS 33 12.771 -23.202 -11.221 236 HZ2 LYS 33 HZ2 LYS 33 12.235 -23.179 -12.824 237 HZ3 LYS 33 HZ3 LYS 33 11.484 -24.192 -11.697 238 H GLY 34 H GLY 34 8.383 -17.283 -16.642 239 HA2 GLY 34 HA2 GLY 34 8.380 -14.836 -14.982 240 HA3 GLY 34 HA3 GLY 34 8.782 -14.826 -16.693 241 H VAL 35 H VAL 35 6.141 -16.192 -14.720 242 HA VAL 35 HA VAL 35 4.214 -15.558 -16.770 243 HB VAL 35 HB VAL 35 2.559 -16.432 -15.060 244 HG11 VAL 35 HG11 VAL 35 4.605 -17.841 -16.550 245 HG12 VAL 35 HG12 VAL 35 4.031 -18.778 -15.169 246 HG13 VAL 35 HG13 VAL 35 2.886 -18.197 -16.379 247 HG21 VAL 35 HG21 VAL 35 4.659 -17.756 -13.528 248 HG22 VAL 35 HG22 VAL 35 4.613 -16.010 -13.287 249 HG23 VAL 35 HG23 VAL 35 3.173 -16.980 -12.979 250 H ASN 36 H ASN 36 4.765 -13.203 -16.637 251 HA ASN 36 HA ASN 36 4.098 -11.079 -16.166 252 HB2 ASN 36 HB2 ASN 36 1.822 -12.439 -16.007 253 HB3 ASN 36 HB3 ASN 36 1.956 -12.006 -14.305 254 HD21 ASN 36 HD21 ASN 36 1.110 -10.970 -17.417 255 HD22 ASN 36 HD22 ASN 36 0.766 -9.320 -17.036 256 H SER 37 H SER 37 6.234 -11.507 -14.876 257 HA SER 37 HA SER 37 5.855 -11.285 -11.996 258 HB2 SER 37 HB2 SER 37 8.153 -11.860 -13.799 259 HB3 SER 37 HB3 SER 37 8.512 -11.097 -12.250 260 HG SER 37 HG SER 37 7.425 -13.623 -12.788 261 H CYS 38 H CYS 38 5.176 -9.291 -11.442 262 HA CYS 38 HA CYS 38 6.562 -6.967 -12.580 263 HB2 CYS 38 HB2 CYS 38 3.954 -7.169 -11.062 264 HB3 CYS 38 HB3 CYS 38 4.672 -5.658 -11.608 265 H ARG 39 H ARG 39 8.425 -6.891 -11.366 266 HA ARG 39 HA ARG 39 8.133 -6.709 -8.450 267 HB2 ARG 39 HB2 ARG 39 9.856 -8.236 -9.804 268 HB3 ARG 39 HB3 ARG 39 10.816 -6.764 -9.734 269 HG2 ARG 39 HG2 ARG 39 11.532 -7.589 -7.785 270 HG3 ARG 39 HG3 ARG 39 9.999 -6.979 -7.157 271 HD2 ARG 39 HD2 ARG 39 10.774 -9.776 -7.884 272 HD3 ARG 39 HD3 ARG 39 10.036 -9.173 -6.401 273 HE ARG 39 HE ARG 39 8.124 -8.693 -8.225 274 HH11 ARG 39 HH11 ARG 39 10.018 -11.525 -7.512 275 HH12 ARG 39 HH12 ARG 39 8.783 -12.635 -8.005 276 HH21 ARG 39 HH21 ARG 39 6.489 -10.144 -8.877 277 HH22 ARG 39 HH22 ARG 39 6.777 -11.849 -8.782 278 H CYS 40 H CYS 40 8.521 -4.861 -7.377 279 HA CYS 40 HA CYS 40 8.648 -2.408 -8.764 280 HB2 CYS 40 HB2 CYS 40 8.928 -3.180 -5.872 281 HB3 CYS 40 HB3 CYS 40 9.180 -1.516 -6.389 282 H MET 41 H MET 41 10.328 -1.416 -9.646 283 HA MET 41 HA MET 41 12.949 -1.579 -8.390 284 HB2 MET 41 HB2 MET 41 12.322 -3.228 -10.559 285 HB3 MET 41 HB3 MET 41 13.244 -1.902 -11.255 286 HG2 MET 41 HG2 MET 41 14.970 -2.323 -9.468 287 HG3 MET 41 HG3 MET 41 14.090 -3.803 -9.092 288 HE1 MET 41 HE1 MET 41 17.148 -3.146 -12.305 289 HE2 MET 41 HE2 MET 41 16.306 -1.854 -11.450 290 HE3 MET 41 HE3 MET 41 17.294 -3.008 -10.553 Start of MODEL 7 1 H1 CYS 1 H CYS 1 1.798 -1.506 1.256 2 HA CYS 1 HA CYS 1 1.325 -1.536 -1.626 3 HB2 CYS 1 HB2 CYS 1 3.171 0.202 -1.885 4 HB3 CYS 1 HB3 CYS 1 1.613 0.793 -1.315 5 H ALA 2 H ALA 2 3.197 -2.197 -2.863 6 HA ALA 2 HA ALA 2 4.654 -4.281 -1.563 7 HB1 ALA 2 HB1 ALA 2 5.865 -4.168 -3.930 8 HB2 ALA 2 HB2 ALA 2 4.272 -4.894 -3.715 9 HB3 ALA 2 HB3 ALA 2 4.415 -3.247 -4.329 10 H SER 3 H SER 3 6.897 -4.460 -1.269 11 HA SER 3 HA SER 3 8.189 -1.954 -0.617 12 HB2 SER 3 HB2 SER 3 9.298 -4.756 -0.347 13 HB3 SER 3 HB3 SER 3 9.877 -3.299 0.462 14 HG SER 3 HG SER 3 8.582 -4.011 1.979 15 H LYS 4 H LYS 4 10.708 -2.020 -1.095 16 HA LYS 4 HA LYS 4 11.014 -1.558 -3.840 17 HB2 LYS 4 HB2 LYS 4 12.423 -0.615 -1.967 18 HB3 LYS 4 HB3 LYS 4 13.247 -2.167 -1.901 19 HG2 LYS 4 HG2 LYS 4 13.964 -1.882 -4.223 20 HG3 LYS 4 HG3 LYS 4 13.148 -0.318 -4.277 21 HD2 LYS 4 HD2 LYS 4 15.054 0.588 -3.562 22 HD3 LYS 4 HD3 LYS 4 14.755 -0.195 -2.009 23 HE2 LYS 4 HE2 LYS 4 16.884 -0.932 -2.541 24 HE3 LYS 4 HE3 LYS 4 15.870 -2.256 -3.111 25 HZ1 LYS 4 HZ1 LYS 4 16.972 -1.998 -5.017 26 HZ2 LYS 4 HZ2 LYS 4 17.555 -0.466 -4.602 27 HZ3 LYS 4 HZ3 LYS 4 16.008 -0.631 -5.265 28 H ASN 5 H ASN 5 11.440 -2.851 -5.510 29 HA ASN 5 HA ASN 5 11.986 -4.683 -6.744 30 HB2 ASN 5 HB2 ASN 5 14.073 -4.450 -5.123 31 HB3 ASN 5 HB3 ASN 5 13.440 -5.958 -4.469 32 HD21 ASN 5 HD21 ASN 5 15.759 -6.363 -5.375 33 HD22 ASN 5 HD22 ASN 5 15.798 -7.040 -6.965 34 H GLU 6 H GLU 6 9.738 -4.607 -4.677 35 HA GLU 6 HA GLU 6 9.345 -7.456 -4.184 36 HB2 GLU 6 HB2 GLU 6 8.804 -5.407 -2.582 37 HB3 GLU 6 HB3 GLU 6 7.286 -5.421 -3.470 38 HG2 GLU 6 HG2 GLU 6 6.555 -7.247 -2.422 39 HG3 GLU 6 HG3 GLU 6 8.113 -8.060 -2.551 40 H ARG 7 H ARG 7 7.105 -8.328 -4.609 41 HA ARG 7 HA ARG 7 6.519 -8.005 -7.392 42 HB2 ARG 7 HB2 ARG 7 4.809 -9.729 -7.009 43 HB3 ARG 7 HB3 ARG 7 6.366 -10.197 -6.338 44 HG2 ARG 7 HG2 ARG 7 5.436 -9.226 -4.129 45 HG3 ARG 7 HG3 ARG 7 3.866 -9.386 -4.919 46 HD2 ARG 7 HD2 ARG 7 4.194 -11.382 -3.696 47 HD3 ARG 7 HD3 ARG 7 4.488 -11.788 -5.387 48 HE ARG 7 HE ARG 7 6.639 -12.309 -4.836 49 HH11 ARG 7 HH11 ARG 7 5.295 -10.307 -2.324 50 HH12 ARG 7 HH12 ARG 7 6.668 -10.469 -1.280 51 HH21 ARG 7 HH21 ARG 7 8.453 -12.530 -3.470 52 HH22 ARG 7 HH22 ARG 7 8.464 -11.733 -1.933 53 H CYS 8 H CYS 8 5.218 -6.539 -8.254 54 HA CYS 8 HA CYS 8 3.069 -5.407 -6.584 55 HB2 CYS 8 HB2 CYS 8 3.322 -3.312 -7.747 56 HB3 CYS 8 HB3 CYS 8 4.905 -3.810 -7.157 57 H GLY 9 H GLY 9 1.590 -4.084 -8.406 58 HA2 GLY 9 HA2 GLY 9 0.790 -6.175 -10.336 59 HA3 GLY 9 HA3 GLY 9 -0.383 -5.276 -9.386 60 H ASN 10 H ASN 10 -0.714 -5.296 -12.052 61 HA ASN 10 HA ASN 10 -0.542 -2.518 -12.705 62 HB2 ASN 10 HB2 ASN 10 1.750 -3.409 -13.313 63 HB3 ASN 10 HB3 ASN 10 0.956 -4.396 -14.536 64 HD21 ASN 10 HD21 ASN 10 2.902 -2.166 -14.720 65 HD22 ASN 10 HD22 ASN 10 2.175 -1.023 -15.793 66 H ALA 11 H ALA 11 -2.568 -2.246 -13.369 67 HA ALA 11 HA ALA 11 -4.239 -4.216 -14.430 68 HB1 ALA 11 HB1 ALA 11 -4.534 -1.262 -14.929 69 HB2 ALA 11 HB2 ALA 11 -5.804 -2.484 -14.863 70 HB3 ALA 11 HB3 ALA 11 -4.937 -2.033 -13.395 71 H LEU 12 H LEU 12 -1.973 -2.057 -15.979 72 HA LEU 12 HA LEU 12 -2.899 -2.224 -18.618 73 HB2 LEU 12 HB2 LEU 12 -1.010 -0.791 -17.500 74 HB3 LEU 12 HB3 LEU 12 0.022 -2.120 -18.023 75 HG LEU 12 HG LEU 12 -1.568 -1.319 -20.238 76 HD11 LEU 12 HD11 LEU 12 -0.045 0.985 -19.044 77 HD12 LEU 12 HD12 LEU 12 -1.795 0.804 -18.919 78 HD13 LEU 12 HD13 LEU 12 -1.037 0.979 -20.502 79 HD21 LEU 12 HD21 LEU 12 0.705 -2.380 -20.179 80 HD22 LEU 12 HD22 LEU 12 1.357 -0.802 -19.735 81 HD23 LEU 12 HD23 LEU 12 0.546 -1.016 -21.287 82 H TYR 13 H TYR 13 -1.199 -4.497 -16.642 83 HA TYR 13 HA TYR 13 -0.678 -6.211 -18.972 84 HB2 TYR 13 HB2 TYR 13 0.556 -5.972 -16.265 85 HB3 TYR 13 HB3 TYR 13 0.576 -7.546 -17.053 86 HD1 TYR 13 HD1 TYR 13 1.863 -7.898 -19.098 87 HD2 TYR 13 HD2 TYR 13 1.873 -4.131 -17.120 88 HE1 TYR 13 HE1 TYR 13 3.836 -7.225 -20.403 89 HE2 TYR 13 HE2 TYR 13 3.845 -3.447 -18.420 90 HH TYR 13 HH TYR 13 5.420 -5.677 -20.681 91 H GLY 14 H GLY 14 -3.107 -5.688 -16.926 92 HA2 GLY 14 HA2 GLY 14 -5.008 -6.975 -16.580 93 HA3 GLY 14 HA3 GLY 14 -4.162 -8.356 -17.262 94 H THR 15 H THR 15 -2.506 -6.670 -14.788 95 HA THR 15 HA THR 15 -3.205 -8.807 -12.881 96 HB THR 15 HB THR 15 -0.992 -8.525 -11.883 97 HG1 THR 15 HG1 THR 15 -0.315 -6.797 -14.027 98 HG21 THR 15 HG21 THR 15 -1.328 -10.098 -13.794 99 HG22 THR 15 HG22 THR 15 0.327 -9.510 -13.634 100 HG23 THR 15 HG23 THR 15 -0.732 -8.837 -14.873 101 H LYS 16 H LYS 16 -4.209 -8.208 -11.083 102 HA LYS 16 HA LYS 16 -4.253 -5.360 -10.377 103 HB2 LYS 16 HB2 LYS 16 -6.215 -6.043 -8.939 104 HB3 LYS 16 HB3 LYS 16 -6.452 -6.213 -10.674 105 HG2 LYS 16 HG2 LYS 16 -6.203 -8.566 -10.568 106 HG3 LYS 16 HG3 LYS 16 -5.617 -8.495 -8.905 107 HD2 LYS 16 HD2 LYS 16 -8.095 -7.217 -8.852 108 HD3 LYS 16 HD3 LYS 16 -8.327 -8.618 -9.900 109 HE2 LYS 16 HE2 LYS 16 -7.041 -9.869 -7.990 110 HE3 LYS 16 HE3 LYS 16 -7.575 -8.502 -7.014 111 HZ1 LYS 16 HZ1 LYS 16 -9.639 -9.692 -8.648 112 HZ2 LYS 16 HZ2 LYS 16 -9.681 -9.218 -7.025 113 HZ3 LYS 16 HZ3 LYS 16 -9.023 -10.717 -7.451 114 H GLY 17 H GLY 17 -1.902 -6.438 -9.696 115 HA2 GLY 17 HA2 GLY 17 -1.982 -7.506 -7.005 116 HA3 GLY 17 HA3 GLY 17 -0.542 -7.150 -7.947 117 HA PRO 18 HA PRO 18 -1.145 -3.945 -4.576 118 HB2 PRO 18 HB2 PRO 18 1.248 -4.357 -3.361 119 HB3 PRO 18 HB3 PRO 18 -0.214 -5.253 -2.932 120 HG2 PRO 18 HG2 PRO 18 2.063 -6.075 -4.693 121 HG3 PRO 18 HG3 PRO 18 1.203 -7.019 -3.463 122 HD2 PRO 18 HD2 PRO 18 0.696 -7.270 -6.111 123 HD3 PRO 18 HD3 PRO 18 -0.559 -7.486 -4.873 124 H GLY 19 H GLY 19 -0.226 -1.907 -4.584 125 HA2 GLY 19 HA2 GLY 19 1.535 -1.355 -6.844 126 HA3 GLY 19 HA3 GLY 19 0.644 -0.167 -5.905 127 H CYS 20 H CYS 20 3.529 -0.407 -6.726 128 HA CYS 20 HA CYS 20 5.109 -0.946 -4.457 129 HB2 CYS 20 HB2 CYS 20 5.731 0.958 -6.725 130 HB3 CYS 20 HB3 CYS 20 6.894 0.210 -5.635 131 H CYS 21 H CYS 21 5.913 0.347 -2.844 132 HA CYS 21 HA CYS 21 4.311 2.525 -2.003 133 HB2 CYS 21 HB2 CYS 21 7.031 1.638 -1.020 134 HB3 CYS 21 HB3 CYS 21 5.966 2.766 -0.188 135 H ASN 22 H ASN 22 7.430 2.298 -3.617 136 HA ASN 22 HA ASN 22 7.199 4.968 -4.615 137 HB2 ASN 22 HB2 ASN 22 9.483 5.628 -3.600 138 HB3 ASN 22 HB3 ASN 22 8.056 5.740 -2.575 139 HD21 ASN 22 HD21 ASN 22 9.430 5.619 -0.757 140 HD22 ASN 22 HD22 ASN 22 10.080 4.105 -0.234 141 H GLY 23 H GLY 23 7.481 4.120 -6.643 142 HA2 GLY 23 HA2 GLY 23 9.816 4.037 -7.921 143 HA3 GLY 23 HA3 GLY 23 9.794 2.438 -7.193 144 H LYS 24 H LYS 24 9.827 3.056 -9.998 145 HA LYS 24 HA LYS 24 7.182 2.625 -11.040 146 HB2 LYS 24 HB2 LYS 24 9.311 3.773 -12.125 147 HB3 LYS 24 HB3 LYS 24 9.626 2.135 -12.682 148 HG2 LYS 24 HG2 LYS 24 7.417 2.083 -13.745 149 HG3 LYS 24 HG3 LYS 24 7.135 3.742 -13.212 150 HD2 LYS 24 HD2 LYS 24 9.538 3.984 -14.460 151 HD3 LYS 24 HD3 LYS 24 8.776 2.716 -15.423 152 HE2 LYS 24 HE2 LYS 24 6.735 4.493 -15.161 153 HE3 LYS 24 HE3 LYS 24 8.129 5.572 -15.197 154 HZ1 LYS 24 HZ1 LYS 24 7.897 3.436 -17.205 155 HZ2 LYS 24 HZ2 LYS 24 8.686 4.928 -17.315 156 HZ3 LYS 24 HZ3 LYS 24 6.998 4.856 -17.396 157 H CYS 25 H CYS 25 6.274 0.758 -11.762 158 HA CYS 25 HA CYS 25 7.346 -1.705 -10.760 159 HB2 CYS 25 HB2 CYS 25 4.845 -0.860 -12.145 160 HB3 CYS 25 HB3 CYS 25 5.281 -2.565 -12.201 161 H ILE 26 H ILE 26 8.877 -2.822 -11.756 162 HA ILE 26 HA ILE 26 9.399 -2.461 -14.576 163 HB ILE 26 HB ILE 26 10.749 -4.257 -12.557 164 HG12 ILE 26 HG12 ILE 26 11.027 -1.885 -12.039 165 HG13 ILE 26 HG13 ILE 26 12.544 -2.566 -12.618 166 HG21 ILE 26 HG21 ILE 26 11.748 -5.231 -14.283 167 HG22 ILE 26 HG22 ILE 26 10.918 -4.164 -15.414 168 HG23 ILE 26 HG23 ILE 26 12.458 -3.675 -14.709 169 HD11 ILE 26 HD11 ILE 26 12.626 -0.820 -13.984 170 HD12 ILE 26 HD12 ILE 26 11.357 -1.621 -14.912 171 HD13 ILE 26 HD13 ILE 26 10.934 -0.413 -13.699 172 H CYS 27 H CYS 27 7.446 -3.339 -15.442 173 HA CYS 27 HA CYS 27 6.828 -6.125 -14.999 174 HB2 CYS 27 HB2 CYS 27 5.672 -4.061 -16.881 175 HB3 CYS 27 HB3 CYS 27 5.079 -5.714 -16.757 176 H ARG 28 H ARG 28 7.562 -7.799 -16.132 177 HA ARG 28 HA ARG 28 8.431 -7.467 -18.883 178 HB2 ARG 28 HB2 ARG 28 10.503 -6.982 -17.842 179 HB3 ARG 28 HB3 ARG 28 10.288 -8.253 -16.646 180 HG2 ARG 28 HG2 ARG 28 10.559 -9.944 -18.382 181 HG3 ARG 28 HG3 ARG 28 10.754 -8.673 -19.591 182 HD2 ARG 28 HD2 ARG 28 12.837 -8.065 -18.809 183 HD3 ARG 28 HD3 ARG 28 12.529 -8.700 -17.193 184 HE ARG 28 HE ARG 28 12.526 -10.899 -18.817 185 HH11 ARG 28 HH11 ARG 28 14.772 -8.329 -18.134 186 HH12 ARG 28 HH12 ARG 28 16.175 -9.301 -18.429 187 HH21 ARG 28 HH21 ARG 28 14.366 -12.189 -19.208 188 HH22 ARG 28 HH22 ARG 28 15.943 -11.496 -19.041 189 H THR 29 H THR 29 8.473 -9.394 -20.057 190 HA THR 29 HA THR 29 7.020 -11.590 -18.786 191 HB THR 29 HB THR 29 7.124 -12.378 -21.342 192 HG1 THR 29 HG1 THR 29 8.236 -10.721 -22.249 193 HG21 THR 29 HG21 THR 29 4.927 -12.062 -21.139 194 HG22 THR 29 HG22 THR 29 5.129 -10.311 -21.202 195 HG23 THR 29 HG23 THR 29 5.237 -11.157 -19.658 196 H VAL 30 H VAL 30 7.781 -13.663 -18.657 197 HA VAL 30 HA VAL 30 10.319 -14.372 -19.875 198 HB VAL 30 HB VAL 30 9.957 -14.258 -16.882 199 HG11 VAL 30 HG11 VAL 30 11.566 -16.063 -18.521 200 HG12 VAL 30 HG12 VAL 30 12.494 -15.192 -17.299 201 HG13 VAL 30 HG13 VAL 30 11.110 -16.176 -16.822 202 HG21 VAL 30 HG21 VAL 30 12.041 -13.075 -18.716 203 HG22 VAL 30 HG22 VAL 30 10.733 -12.192 -17.927 204 HG23 VAL 30 HG23 VAL 30 12.010 -12.927 -16.958 205 HA PRO 31 HA PRO 31 8.036 -18.123 -20.499 206 HB2 PRO 31 HB2 PRO 31 10.814 -19.208 -20.550 207 HB3 PRO 31 HB3 PRO 31 9.496 -19.435 -21.705 208 HG2 PRO 31 HG2 PRO 31 11.532 -17.770 -22.219 209 HG3 PRO 31 HG3 PRO 31 9.878 -17.408 -22.744 210 HD2 PRO 31 HD2 PRO 31 11.480 -16.206 -20.573 211 HD3 PRO 31 HD3 PRO 31 10.184 -15.498 -21.559 212 H ARG 32 H ARG 32 10.793 -17.962 -18.271 213 HA ARG 32 HA ARG 32 10.131 -20.318 -16.834 214 HB2 ARG 32 HB2 ARG 32 12.383 -19.476 -16.748 215 HB3 ARG 32 HB3 ARG 32 11.835 -17.932 -16.110 216 HG2 ARG 32 HG2 ARG 32 11.813 -18.681 -14.011 217 HG3 ARG 32 HG3 ARG 32 11.035 -20.198 -14.466 218 HD2 ARG 32 HD2 ARG 32 13.228 -20.635 -13.536 219 HD3 ARG 32 HD3 ARG 32 13.203 -21.053 -15.248 220 HE ARG 32 HE ARG 32 14.125 -18.394 -14.838 221 HH11 ARG 32 HH11 ARG 32 15.090 -21.734 -14.649 222 HH12 ARG 32 HH12 ARG 32 16.771 -21.398 -14.900 223 HH21 ARG 32 HH21 ARG 32 16.336 -17.939 -15.168 224 HH22 ARG 32 HH22 ARG 32 17.479 -19.239 -15.194 225 H LYS 33 H LYS 33 7.855 -20.031 -16.479 226 HA LYS 33 HA LYS 33 5.976 -19.238 -15.409 227 HB2 LYS 33 HB2 LYS 33 6.149 -19.462 -12.979 228 HB3 LYS 33 HB3 LYS 33 6.980 -20.782 -13.793 229 HG2 LYS 33 HG2 LYS 33 9.096 -19.924 -13.265 230 HG3 LYS 33 HG3 LYS 33 8.440 -18.342 -12.839 231 HD2 LYS 33 HD2 LYS 33 7.389 -20.615 -11.287 232 HD3 LYS 33 HD3 LYS 33 9.097 -20.246 -11.036 233 HE2 LYS 33 HE2 LYS 33 8.659 -18.250 -10.051 234 HE3 LYS 33 HE3 LYS 33 7.232 -17.952 -11.042 235 HZ1 LYS 33 HZ1 LYS 33 6.075 -19.665 -9.699 236 HZ2 LYS 33 HZ2 LYS 33 6.535 -18.303 -8.808 237 HZ3 LYS 33 HZ3 LYS 33 7.424 -19.737 -8.679 238 H GLY 34 H GLY 34 7.233 -17.096 -16.602 239 HA2 GLY 34 HA2 GLY 34 7.002 -14.983 -14.547 240 HA3 GLY 34 HA3 GLY 34 8.055 -14.866 -15.950 241 H VAL 35 H VAL 35 4.616 -15.384 -15.170 242 HA VAL 35 HA VAL 35 3.759 -14.290 -17.686 243 HB VAL 35 HB VAL 35 2.387 -15.995 -16.699 244 HG11 VAL 35 HG11 VAL 35 2.892 -14.536 -14.279 245 HG12 VAL 35 HG12 VAL 35 1.157 -14.779 -14.492 246 HG13 VAL 35 HG13 VAL 35 2.250 -16.164 -14.489 247 HG21 VAL 35 HG21 VAL 35 0.682 -13.612 -16.204 248 HG22 VAL 35 HG22 VAL 35 1.400 -13.799 -17.804 249 HG23 VAL 35 HG23 VAL 35 0.354 -15.061 -17.154 250 H ASN 36 H ASN 36 4.844 -12.215 -17.517 251 HA ASN 36 HA ASN 36 4.749 -9.951 -17.291 252 HB2 ASN 36 HB2 ASN 36 2.141 -10.170 -15.816 253 HB3 ASN 36 HB3 ASN 36 2.694 -8.901 -16.904 254 HD21 ASN 36 HD21 ASN 36 0.255 -10.608 -16.853 255 HD22 ASN 36 HD22 ASN 36 0.173 -11.310 -18.430 256 H SER 37 H SER 37 6.453 -10.827 -15.651 257 HA SER 37 HA SER 37 5.797 -10.468 -12.872 258 HB2 SER 37 HB2 SER 37 8.379 -10.658 -12.668 259 HB3 SER 37 HB3 SER 37 7.470 -12.073 -13.200 260 HG SER 37 HG SER 37 9.197 -10.418 -14.629 261 H CYS 38 H CYS 38 5.488 -8.516 -12.044 262 HA CYS 38 HA CYS 38 7.086 -6.269 -13.074 263 HB2 CYS 38 HB2 CYS 38 4.495 -6.165 -11.516 264 HB3 CYS 38 HB3 CYS 38 5.334 -4.800 -12.246 265 H ARG 39 H ARG 39 8.838 -5.990 -11.847 266 HA ARG 39 HA ARG 39 8.597 -6.300 -8.936 267 HB2 ARG 39 HB2 ARG 39 11.139 -6.051 -10.545 268 HB3 ARG 39 HB3 ARG 39 10.979 -6.567 -8.872 269 HG2 ARG 39 HG2 ARG 39 9.386 -8.267 -10.512 270 HG3 ARG 39 HG3 ARG 39 11.008 -8.157 -11.197 271 HD2 ARG 39 HD2 ARG 39 10.257 -8.961 -8.392 272 HD3 ARG 39 HD3 ARG 39 10.955 -9.985 -9.646 273 HE ARG 39 HE ARG 39 12.639 -7.771 -9.077 274 HH11 ARG 39 HH11 ARG 39 11.628 -10.868 -7.848 275 HH12 ARG 39 HH12 ARG 39 13.098 -11.147 -6.975 276 HH21 ARG 39 HH21 ARG 39 14.579 -8.128 -7.931 277 HH22 ARG 39 HH22 ARG 39 14.775 -9.587 -7.022 278 H CYS 40 H CYS 40 8.829 -4.613 -7.589 279 HA CYS 40 HA CYS 40 8.605 -1.983 -8.501 280 HB2 CYS 40 HB2 CYS 40 9.497 -3.055 -5.818 281 HB3 CYS 40 HB3 CYS 40 9.158 -1.355 -6.131 282 H MET 41 H MET 41 10.061 -0.789 -9.519 283 HA MET 41 HA MET 41 12.668 -0.352 -8.471 284 HB2 MET 41 HB2 MET 41 12.396 -2.530 -10.280 285 HB3 MET 41 HB3 MET 41 13.251 -1.243 -11.120 286 HG2 MET 41 HG2 MET 41 15.087 -1.428 -9.829 287 HG3 MET 41 HG3 MET 41 14.164 -1.825 -8.382 288 HE1 MET 41 HE1 MET 41 17.018 -3.335 -9.923 289 HE2 MET 41 HE2 MET 41 16.456 -4.600 -11.016 290 HE3 MET 41 HE3 MET 41 16.100 -2.909 -11.368 Start of MODEL 8 1 H1 CYS 1 H CYS 1 2.079 1.127 1.757 2 HA CYS 1 HA CYS 1 2.039 0.122 -0.733 3 HB2 CYS 1 HB2 CYS 1 4.078 1.621 -1.207 4 HB3 CYS 1 HB3 CYS 1 2.636 2.385 -0.546 5 H ALA 2 H ALA 2 3.647 -0.739 -2.200 6 HA ALA 2 HA ALA 2 5.098 -2.926 -1.007 7 HB1 ALA 2 HB1 ALA 2 5.076 -2.137 -3.912 8 HB2 ALA 2 HB2 ALA 2 5.433 -3.719 -3.217 9 HB3 ALA 2 HB3 ALA 2 3.791 -3.078 -3.152 10 H SER 3 H SER 3 7.266 -3.156 -0.797 11 HA SER 3 HA SER 3 8.875 -0.760 -1.062 12 HB2 SER 3 HB2 SER 3 8.879 -2.498 0.898 13 HB3 SER 3 HB3 SER 3 9.969 -3.402 -0.153 14 HG SER 3 HG SER 3 10.987 -1.896 1.352 15 H LYS 4 H LYS 4 11.241 -1.190 -1.805 16 HA LYS 4 HA LYS 4 11.179 -1.735 -4.562 17 HB2 LYS 4 HB2 LYS 4 13.571 -1.420 -4.522 18 HB3 LYS 4 HB3 LYS 4 12.825 -0.244 -3.448 19 HG2 LYS 4 HG2 LYS 4 13.477 -1.492 -1.518 20 HG3 LYS 4 HG3 LYS 4 14.040 -2.835 -2.516 21 HD2 LYS 4 HD2 LYS 4 15.503 -0.830 -3.560 22 HD3 LYS 4 HD3 LYS 4 15.330 -0.250 -1.902 23 HE2 LYS 4 HE2 LYS 4 16.236 -3.040 -2.570 24 HE3 LYS 4 HE3 LYS 4 17.357 -1.692 -2.390 25 HZ1 LYS 4 HZ1 LYS 4 15.505 -2.735 -0.317 26 HZ2 LYS 4 HZ2 LYS 4 16.477 -1.364 -0.132 27 HZ3 LYS 4 HZ3 LYS 4 17.190 -2.885 -0.330 28 H ASN 5 H ASN 5 11.704 -3.498 -5.763 29 HA ASN 5 HA ASN 5 12.297 -5.640 -6.297 30 HB2 ASN 5 HB2 ASN 5 14.129 -5.146 -4.487 31 HB3 ASN 5 HB3 ASN 5 13.154 -6.216 -3.483 32 HD21 ASN 5 HD21 ASN 5 14.888 -7.686 -3.422 33 HD22 ASN 5 HD22 ASN 5 15.235 -8.716 -4.765 34 H GLU 6 H GLU 6 9.914 -4.672 -4.387 35 HA GLU 6 HA GLU 6 8.959 -7.317 -3.593 36 HB2 GLU 6 HB2 GLU 6 7.683 -4.620 -3.114 37 HB3 GLU 6 HB3 GLU 6 7.224 -6.146 -2.371 38 HG2 GLU 6 HG2 GLU 6 9.939 -4.911 -2.020 39 HG3 GLU 6 HG3 GLU 6 8.580 -4.576 -0.948 40 H ARG 7 H ARG 7 6.912 -8.116 -4.235 41 HA ARG 7 HA ARG 7 6.325 -7.759 -6.973 42 HB2 ARG 7 HB2 ARG 7 5.879 -9.870 -5.873 43 HB3 ARG 7 HB3 ARG 7 4.742 -9.099 -4.776 44 HG2 ARG 7 HG2 ARG 7 3.311 -8.551 -6.724 45 HG3 ARG 7 HG3 ARG 7 4.421 -9.466 -7.746 46 HD2 ARG 7 HD2 ARG 7 3.787 -11.121 -5.559 47 HD3 ARG 7 HD3 ARG 7 2.269 -10.408 -6.105 48 HE ARG 7 HE ARG 7 3.470 -11.252 -8.398 49 HH11 ARG 7 HH11 ARG 7 2.614 -12.774 -5.386 50 HH12 ARG 7 HH12 ARG 7 2.362 -14.334 -6.096 51 HH21 ARG 7 HH21 ARG 7 3.142 -13.301 -9.344 52 HH22 ARG 7 HH22 ARG 7 2.664 -14.633 -8.347 53 H CYS 8 H CYS 8 4.989 -6.411 -8.002 54 HA CYS 8 HA CYS 8 3.001 -4.922 -6.425 55 HB2 CYS 8 HB2 CYS 8 3.550 -2.869 -7.528 56 HB3 CYS 8 HB3 CYS 8 5.051 -3.545 -6.904 57 H GLY 9 H GLY 9 1.294 -3.924 -7.787 58 HA2 GLY 9 HA2 GLY 9 0.573 -5.787 -9.939 59 HA3 GLY 9 HA3 GLY 9 -0.542 -4.754 -9.057 60 H ASN 10 H ASN 10 -0.745 -4.835 -11.749 61 HA ASN 10 HA ASN 10 -0.291 -2.097 -12.457 62 HB2 ASN 10 HB2 ASN 10 1.927 -3.166 -12.955 63 HB3 ASN 10 HB3 ASN 10 1.109 -4.189 -14.133 64 HD21 ASN 10 HD21 ASN 10 3.216 -2.358 -14.658 65 HD22 ASN 10 HD22 ASN 10 2.603 -1.158 -15.740 66 H ALA 11 H ALA 11 -2.214 -1.612 -13.271 67 HA ALA 11 HA ALA 11 -4.049 -3.448 -14.325 68 HB1 ALA 11 HB1 ALA 11 -4.157 -0.578 -15.129 69 HB2 ALA 11 HB2 ALA 11 -5.461 -1.662 -14.642 70 HB3 ALA 11 HB3 ALA 11 -4.358 -1.009 -13.430 71 H LEU 12 H LEU 12 -1.582 -1.482 -15.866 72 HA LEU 12 HA LEU 12 -2.413 -1.747 -18.529 73 HB2 LEU 12 HB2 LEU 12 0.426 -1.583 -17.536 74 HB3 LEU 12 HB3 LEU 12 -0.163 -1.144 -19.138 75 HG LEU 12 HG LEU 12 -0.829 0.289 -16.567 76 HD11 LEU 12 HD11 LEU 12 1.276 0.638 -18.612 77 HD12 LEU 12 HD12 LEU 12 1.281 1.035 -16.894 78 HD13 LEU 12 HD13 LEU 12 0.467 2.098 -18.042 79 HD21 LEU 12 HD21 LEU 12 -1.485 0.998 -19.424 80 HD22 LEU 12 HD22 LEU 12 -1.884 1.943 -17.989 81 HD23 LEU 12 HD23 LEU 12 -2.630 0.365 -18.242 82 H TYR 13 H TYR 13 -0.975 -4.006 -16.370 83 HA TYR 13 HA TYR 13 -0.427 -5.851 -18.596 84 HB2 TYR 13 HB2 TYR 13 0.812 -5.454 -15.923 85 HB3 TYR 13 HB3 TYR 13 0.724 -7.104 -16.529 86 HD1 TYR 13 HD2 TYR 13 1.946 -3.702 -17.384 87 HD2 TYR 13 HD1 TYR 13 2.275 -7.881 -18.109 88 HE1 TYR 13 HE2 TYR 13 3.953 -3.301 -18.748 89 HE2 TYR 13 HE1 TYR 13 4.284 -7.492 -19.474 90 HH TYR 13 HH TYR 13 5.826 -4.377 -19.627 91 H GLY 14 H GLY 14 -3.009 -5.179 -17.095 92 HA2 GLY 14 HA2 GLY 14 -4.860 -6.300 -16.326 93 HA3 GLY 14 HA3 GLY 14 -4.243 -7.656 -17.259 94 H THR 15 H THR 15 -2.498 -6.241 -14.577 95 HA THR 15 HA THR 15 -3.061 -8.670 -13.003 96 HB THR 15 HB THR 15 -0.734 -8.171 -11.977 97 HG1 THR 15 HG1 THR 15 0.670 -7.155 -13.532 98 HG21 THR 15 HG21 THR 15 0.289 -9.677 -13.467 99 HG22 THR 15 HG22 THR 15 -0.685 -9.121 -14.829 100 HG23 THR 15 HG23 THR 15 -1.428 -10.071 -13.543 101 H LYS 16 H LYS 16 -3.936 -8.343 -11.069 102 HA LYS 16 HA LYS 16 -4.078 -5.616 -10.030 103 HB2 LYS 16 HB2 LYS 16 -5.788 -6.558 -8.487 104 HB3 LYS 16 HB3 LYS 16 -6.192 -6.763 -10.186 105 HG2 LYS 16 HG2 LYS 16 -4.748 -9.055 -9.366 106 HG3 LYS 16 HG3 LYS 16 -5.991 -8.733 -8.155 107 HD2 LYS 16 HD2 LYS 16 -7.718 -8.997 -9.668 108 HD3 LYS 16 HD3 LYS 16 -6.692 -8.636 -11.059 109 HE2 LYS 16 HE2 LYS 16 -5.527 -10.785 -10.711 110 HE3 LYS 16 HE3 LYS 16 -6.631 -11.146 -9.385 111 HZ1 LYS 16 HZ1 LYS 16 -7.216 -12.156 -11.583 112 HZ2 LYS 16 HZ2 LYS 16 -7.555 -10.598 -12.147 113 HZ3 LYS 16 HZ3 LYS 16 -8.449 -11.246 -10.866 114 H GLY 17 H GLY 17 -2.655 -4.972 -8.561 115 HA2 GLY 17 HA2 GLY 17 -2.018 -6.617 -6.287 116 HA3 GLY 17 HA3 GLY 17 -0.662 -6.410 -7.386 117 HA PRO 18 HA PRO 18 -0.920 -2.868 -4.294 118 HB2 PRO 18 HB2 PRO 18 1.472 -3.331 -3.096 119 HB3 PRO 18 HB3 PRO 18 -0.038 -4.063 -2.541 120 HG2 PRO 18 HG2 PRO 18 2.118 -5.236 -4.254 121 HG3 PRO 18 HG3 PRO 18 1.229 -5.977 -2.911 122 HD2 PRO 18 HD2 PRO 18 0.625 -6.466 -5.504 123 HD3 PRO 18 HD3 PRO 18 -0.605 -6.455 -4.223 124 H GLY 19 H GLY 19 0.117 -0.915 -4.572 125 HA2 GLY 19 HA2 GLY 19 1.905 -0.767 -6.880 126 HA3 GLY 19 HA3 GLY 19 1.059 0.580 -6.134 127 H CYS 20 H CYS 20 3.845 0.446 -6.870 128 HA CYS 20 HA CYS 20 5.502 -0.030 -4.640 129 HB2 CYS 20 HB2 CYS 20 5.843 1.660 -7.115 130 HB3 CYS 20 HB3 CYS 20 7.101 1.527 -5.890 131 H CYS 21 H CYS 21 6.386 1.355 -3.112 132 HA CYS 21 HA CYS 21 4.678 3.433 -2.190 133 HB2 CYS 21 HB2 CYS 21 6.397 1.847 -0.926 134 HB3 CYS 21 HB3 CYS 21 7.478 3.212 -1.190 135 H ASN 22 H ASN 22 7.821 3.383 -3.810 136 HA ASN 22 HA ASN 22 7.387 5.995 -4.898 137 HB2 ASN 22 HB2 ASN 22 9.258 5.613 -2.596 138 HB3 ASN 22 HB3 ASN 22 9.692 6.756 -3.863 139 HD21 ASN 22 HD21 ASN 22 8.226 8.498 -4.305 140 HD22 ASN 22 HD22 ASN 22 7.205 9.102 -3.048 141 H GLY 23 H GLY 23 7.937 5.527 -6.931 142 HA2 GLY 23 HA2 GLY 23 10.339 5.403 -8.040 143 HA3 GLY 23 HA3 GLY 23 10.192 3.751 -7.460 144 H LYS 24 H LYS 24 9.596 2.385 -8.990 145 HA LYS 24 HA LYS 24 7.309 2.903 -10.647 146 HB2 LYS 24 HB2 LYS 24 9.055 4.110 -11.896 147 HB3 LYS 24 HB3 LYS 24 10.023 2.643 -11.956 148 HG2 LYS 24 HG2 LYS 24 8.341 1.549 -13.308 149 HG3 LYS 24 HG3 LYS 24 7.293 2.964 -13.188 150 HD2 LYS 24 HD2 LYS 24 9.980 3.581 -14.154 151 HD3 LYS 24 HD3 LYS 24 9.095 2.470 -15.201 152 HE2 LYS 24 HE2 LYS 24 7.179 4.309 -14.671 153 HE3 LYS 24 HE3 LYS 24 8.624 5.317 -14.622 154 HZ1 LYS 24 HZ1 LYS 24 8.800 3.631 -16.848 155 HZ2 LYS 24 HZ2 LYS 24 8.655 5.315 -16.821 156 HZ3 LYS 24 HZ3 LYS 24 7.268 4.347 -16.867 157 H CYS 25 H CYS 25 6.573 1.040 -11.762 158 HA CYS 25 HA CYS 25 7.636 -1.445 -10.635 159 HB2 CYS 25 HB2 CYS 25 4.981 -0.605 -11.727 160 HB3 CYS 25 HB3 CYS 25 5.412 -2.312 -11.756 161 H ILE 26 H ILE 26 8.203 -3.207 -11.899 162 HA ILE 26 HA ILE 26 8.414 -2.707 -14.794 163 HB ILE 26 HB ILE 26 10.626 -2.434 -13.954 164 HG12 ILE 26 HG12 ILE 26 11.820 -4.246 -15.072 165 HG13 ILE 26 HG13 ILE 26 10.385 -5.263 -15.002 166 HG21 ILE 26 HG21 ILE 26 11.381 -4.842 -12.787 167 HG22 ILE 26 HG22 ILE 26 11.124 -3.302 -11.968 168 HG23 ILE 26 HG23 ILE 26 9.809 -4.471 -12.078 169 HD11 ILE 26 HD11 ILE 26 10.803 -4.248 -17.220 170 HD12 ILE 26 HD12 ILE 26 9.231 -3.836 -16.535 171 HD13 ILE 26 HD13 ILE 26 10.544 -2.660 -16.498 172 H CYS 27 H CYS 27 6.957 -4.048 -15.663 173 HA CYS 27 HA CYS 27 6.486 -6.678 -14.530 174 HB2 CYS 27 HB2 CYS 27 5.213 -5.093 -16.751 175 HB3 CYS 27 HB3 CYS 27 4.840 -6.797 -16.513 176 H ARG 28 H ARG 28 6.932 -8.625 -15.511 177 HA ARG 28 HA ARG 28 8.526 -8.536 -17.982 178 HB2 ARG 28 HB2 ARG 28 9.999 -8.794 -15.995 179 HB3 ARG 28 HB3 ARG 28 9.133 -10.268 -15.581 180 HG2 ARG 28 HG2 ARG 28 10.001 -11.437 -17.391 181 HG3 ARG 28 HG3 ARG 28 10.444 -9.961 -18.252 182 HD2 ARG 28 HD2 ARG 28 11.889 -9.739 -15.942 183 HD3 ARG 28 HD3 ARG 28 11.915 -11.479 -16.229 184 HE ARG 28 HE ARG 28 12.566 -10.448 -18.642 185 HH11 ARG 28 HH11 ARG 28 13.793 -9.954 -15.421 186 HH12 ARG 28 HH12 ARG 28 15.406 -9.603 -15.949 187 HH21 ARG 28 HH21 ARG 28 14.685 -9.987 -19.349 188 HH22 ARG 28 HH22 ARG 28 15.912 -9.621 -18.184 189 H THR 29 H THR 29 8.582 -10.573 -19.161 190 HA THR 29 HA THR 29 6.522 -12.520 -18.473 191 HB THR 29 HB THR 29 6.487 -11.537 -21.290 192 HG1 THR 29 HG1 THR 29 4.773 -10.045 -20.537 193 HG21 THR 29 HG21 THR 29 3.914 -11.975 -20.413 194 HG22 THR 29 HG22 THR 29 4.848 -13.165 -19.507 195 HG23 THR 29 HG23 THR 29 4.921 -13.141 -21.269 196 H VAL 30 H VAL 30 7.832 -14.254 -18.367 197 HA VAL 30 HA VAL 30 9.138 -15.103 -20.834 198 HB VAL 30 HB VAL 30 10.656 -15.213 -18.234 199 HG11 VAL 30 HG11 VAL 30 11.645 -15.446 -21.069 200 HG12 VAL 30 HG12 VAL 30 12.530 -15.800 -19.584 201 HG13 VAL 30 HG13 VAL 30 11.185 -16.829 -20.078 202 HG21 VAL 30 HG21 VAL 30 10.347 -12.875 -18.761 203 HG22 VAL 30 HG22 VAL 30 12.012 -13.339 -19.110 204 HG23 VAL 30 HG23 VAL 30 10.855 -13.151 -20.427 205 HA PRO 31 HA PRO 31 7.201 -18.957 -19.934 206 HB2 PRO 31 HB2 PRO 31 9.726 -20.039 -21.097 207 HB3 PRO 31 HB3 PRO 31 8.047 -20.411 -21.508 208 HG2 PRO 31 HG2 PRO 31 9.547 -18.824 -23.061 209 HG3 PRO 31 HG3 PRO 31 7.813 -18.532 -22.830 210 HD2 PRO 31 HD2 PRO 31 10.141 -17.063 -21.754 211 HD3 PRO 31 HD3 PRO 31 8.504 -16.487 -22.131 212 H ARG 32 H ARG 32 10.593 -18.394 -19.121 213 HA ARG 32 HA ARG 32 10.836 -20.594 -17.338 214 HB2 ARG 32 HB2 ARG 32 12.450 -18.177 -17.989 215 HB3 ARG 32 HB3 ARG 32 12.780 -18.993 -16.467 216 HG2 ARG 32 HG2 ARG 32 13.520 -20.918 -17.503 217 HG3 ARG 32 HG3 ARG 32 12.661 -20.562 -19.003 218 HD2 ARG 32 HD2 ARG 32 14.474 -19.591 -19.838 219 HD3 ARG 32 HD3 ARG 32 14.513 -18.459 -18.486 220 HE ARG 32 HE ARG 32 16.279 -19.627 -17.655 221 HH11 ARG 32 HH11 ARG 32 14.473 -21.724 -19.767 222 HH12 ARG 32 HH12 ARG 32 15.588 -23.043 -19.626 223 HH21 ARG 32 HH21 ARG 32 17.755 -21.355 -17.462 224 HH22 ARG 32 HH22 ARG 32 17.455 -22.832 -18.315 225 H LYS 33 H LYS 33 8.915 -20.394 -16.061 226 HA LYS 33 HA LYS 33 7.603 -19.613 -14.346 227 HB2 LYS 33 HB2 LYS 33 8.816 -19.420 -12.241 228 HB3 LYS 33 HB3 LYS 33 9.444 -20.762 -13.189 229 HG2 LYS 33 HG2 LYS 33 11.406 -19.601 -13.737 230 HG3 LYS 33 HG3 LYS 33 10.729 -18.051 -13.232 231 HD2 LYS 33 HD2 LYS 33 10.551 -19.626 -10.962 232 HD3 LYS 33 HD3 LYS 33 12.101 -20.082 -11.671 233 HE2 LYS 33 HE2 LYS 33 12.883 -18.283 -10.581 234 HE3 LYS 33 HE3 LYS 33 12.175 -17.376 -11.917 235 HZ1 LYS 33 HZ1 LYS 33 10.231 -16.957 -10.640 236 HZ2 LYS 33 HZ2 LYS 33 11.558 -16.553 -9.673 237 HZ3 LYS 33 HZ3 LYS 33 10.726 -18.001 -9.405 238 H GLY 34 H GLY 34 7.945 -17.605 -16.233 239 HA2 GLY 34 HA2 GLY 34 8.050 -15.220 -14.495 240 HA3 GLY 34 HA3 GLY 34 8.755 -15.215 -16.104 241 H VAL 35 H VAL 35 5.653 -16.400 -14.812 242 HA VAL 35 HA VAL 35 4.239 -15.382 -17.097 243 HB VAL 35 HB VAL 35 3.249 -16.659 -14.546 244 HG11 VAL 35 HG11 VAL 35 1.813 -15.328 -16.735 245 HG12 VAL 35 HG12 VAL 35 1.215 -16.935 -16.319 246 HG13 VAL 35 HG13 VAL 35 1.299 -15.678 -15.085 247 HG21 VAL 35 HG21 VAL 35 3.552 -18.627 -15.546 248 HG22 VAL 35 HG22 VAL 35 2.785 -18.070 -17.033 249 HG23 VAL 35 HG23 VAL 35 4.500 -17.767 -16.760 250 H ASN 36 H ASN 36 4.743 -13.124 -16.907 251 HA ASN 36 HA ASN 36 4.153 -10.974 -16.447 252 HB2 ASN 36 HB2 ASN 36 1.814 -12.223 -16.322 253 HB3 ASN 36 HB3 ASN 36 1.948 -11.807 -14.616 254 HD21 ASN 36 HD21 ASN 36 1.191 -10.713 -17.731 255 HD22 ASN 36 HD22 ASN 36 0.921 -9.051 -17.343 256 H SER 37 H SER 37 6.251 -11.544 -15.126 257 HA SER 37 HA SER 37 5.862 -11.330 -12.254 258 HB2 SER 37 HB2 SER 37 7.605 -12.824 -12.871 259 HB3 SER 37 HB3 SER 37 8.306 -11.661 -13.996 260 HG SER 37 HG SER 37 9.096 -10.501 -12.325 261 H CYS 38 H CYS 38 5.243 -9.336 -11.648 262 HA CYS 38 HA CYS 38 6.730 -7.031 -12.708 263 HB2 CYS 38 HB2 CYS 38 4.082 -7.065 -11.245 264 HB3 CYS 38 HB3 CYS 38 4.853 -5.657 -11.969 265 H ARG 39 H ARG 39 8.398 -6.518 -11.448 266 HA ARG 39 HA ARG 39 8.068 -6.698 -8.529 267 HB2 ARG 39 HB2 ARG 39 10.605 -6.618 -10.173 268 HB3 ARG 39 HB3 ARG 39 10.528 -6.733 -8.420 269 HG2 ARG 39 HG2 ARG 39 9.336 -8.776 -10.277 270 HG3 ARG 39 HG3 ARG 39 10.965 -8.885 -9.607 271 HD2 ARG 39 HD2 ARG 39 10.107 -9.856 -7.803 272 HD3 ARG 39 HD3 ARG 39 9.264 -8.351 -7.440 273 HE ARG 39 HE ARG 39 7.619 -9.529 -9.215 274 HH11 ARG 39 HH11 ARG 39 9.151 -10.671 -6.305 275 HH12 ARG 39 HH12 ARG 39 7.882 -11.785 -5.918 276 HH21 ARG 39 HH21 ARG 39 5.942 -10.993 -8.717 277 HH22 ARG 39 HH22 ARG 39 6.058 -11.968 -7.292 278 H CYS 40 H CYS 40 9.147 -5.018 -7.241 279 HA CYS 40 HA CYS 40 8.521 -2.406 -8.283 280 HB2 CYS 40 HB2 CYS 40 8.261 -3.390 -5.835 281 HB3 CYS 40 HB3 CYS 40 9.902 -2.775 -5.662 282 H MET 41 H MET 41 9.917 -0.751 -8.746 283 HA MET 41 HA MET 41 12.779 -1.149 -8.385 284 HB2 MET 41 HB2 MET 41 12.232 -2.137 -10.598 285 HB3 MET 41 HB3 MET 41 11.589 -0.581 -11.106 286 HG2 MET 41 HG2 MET 41 13.789 -0.820 -11.990 287 HG3 MET 41 HG3 MET 41 13.824 0.412 -10.730 288 HE1 MET 41 HE1 MET 41 17.123 -0.647 -9.434 289 HE2 MET 41 HE2 MET 41 16.363 0.320 -10.698 290 HE3 MET 41 HE3 MET 41 15.796 0.443 -9.032 Start of MODEL 9 1 H1 CYS 1 H CYS 1 1.742 -0.672 1.904 2 HA CYS 1 HA CYS 1 1.067 -0.853 -0.933 3 HB2 CYS 1 HB2 CYS 1 2.878 0.922 -1.360 4 HB3 CYS 1 HB3 CYS 1 1.306 1.481 -0.799 5 H ALA 2 H ALA 2 2.828 -1.566 -2.266 6 HA ALA 2 HA ALA 2 4.471 -3.507 -0.967 7 HB1 ALA 2 HB1 ALA 2 4.298 -2.579 -3.825 8 HB2 ALA 2 HB2 ALA 2 5.383 -3.861 -3.284 9 HB3 ALA 2 HB3 ALA 2 3.637 -4.055 -3.120 10 H SER 3 H SER 3 6.802 -3.646 -1.144 11 HA SER 3 HA SER 3 8.052 -0.997 -0.912 12 HB2 SER 3 HB2 SER 3 9.449 -3.487 -0.033 13 HB3 SER 3 HB3 SER 3 9.509 -1.864 0.654 14 HG SER 3 HG SER 3 8.003 -2.454 1.978 15 H LYS 4 H LYS 4 10.562 -1.226 -1.398 16 HA LYS 4 HA LYS 4 10.800 -1.532 -4.183 17 HB2 LYS 4 HB2 LYS 4 12.228 -0.046 -2.797 18 HB3 LYS 4 HB3 LYS 4 13.016 -1.468 -2.126 19 HG2 LYS 4 HG2 LYS 4 13.807 -2.074 -4.366 20 HG3 LYS 4 HG3 LYS 4 13.042 -0.623 -5.017 21 HD2 LYS 4 HD2 LYS 4 14.485 0.788 -3.707 22 HD3 LYS 4 HD3 LYS 4 15.162 -0.611 -2.871 23 HE2 LYS 4 HE2 LYS 4 16.793 -0.304 -4.428 24 HE3 LYS 4 HE3 LYS 4 15.719 -1.347 -5.359 25 HZ1 LYS 4 HZ1 LYS 4 16.518 1.307 -5.900 26 HZ2 LYS 4 HZ2 LYS 4 14.834 1.249 -5.747 27 HZ3 LYS 4 HZ3 LYS 4 15.616 0.252 -6.868 28 H ASN 5 H ASN 5 11.527 -3.158 -5.460 29 HA ASN 5 HA ASN 5 12.261 -5.217 -6.113 30 HB2 ASN 5 HB2 ASN 5 13.956 -4.711 -4.145 31 HB3 ASN 5 HB3 ASN 5 13.050 -5.985 -3.334 32 HD21 ASN 5 HD21 ASN 5 14.473 -7.610 -3.347 33 HD22 ASN 5 HD22 ASN 5 15.168 -8.302 -4.770 34 H GLU 6 H GLU 6 9.708 -4.563 -4.354 35 HA GLU 6 HA GLU 6 8.935 -7.328 -3.768 36 HB2 GLU 6 HB2 GLU 6 7.465 -4.773 -3.102 37 HB3 GLU 6 HB3 GLU 6 7.080 -6.386 -2.519 38 HG2 GLU 6 HG2 GLU 6 9.705 -5.046 -1.951 39 HG3 GLU 6 HG3 GLU 6 8.290 -4.856 -0.916 40 H ARG 7 H ARG 7 6.846 -8.111 -4.461 41 HA ARG 7 HA ARG 7 6.381 -7.733 -7.203 42 HB2 ARG 7 HB2 ARG 7 4.951 -9.146 -4.995 43 HB3 ARG 7 HB3 ARG 7 4.111 -8.911 -6.522 44 HG2 ARG 7 HG2 ARG 7 5.157 -10.659 -7.377 45 HG3 ARG 7 HG3 ARG 7 6.716 -9.884 -7.089 46 HD2 ARG 7 HD2 ARG 7 7.082 -11.027 -5.152 47 HD3 ARG 7 HD3 ARG 7 5.365 -11.142 -4.769 48 HE ARG 7 HE ARG 7 5.268 -13.126 -5.918 49 HH11 ARG 7 HH11 ARG 7 8.265 -11.509 -6.642 50 HH12 ARG 7 HH12 ARG 7 8.946 -12.864 -7.479 51 HH21 ARG 7 HH21 ARG 7 6.153 -14.918 -7.019 52 HH22 ARG 7 HH22 ARG 7 7.743 -14.803 -7.694 53 H CYS 8 H CYS 8 4.980 -6.497 -8.341 54 HA CYS 8 HA CYS 8 3.127 -4.775 -6.839 55 HB2 CYS 8 HB2 CYS 8 3.773 -2.841 -8.011 56 HB3 CYS 8 HB3 CYS 8 5.295 -3.625 -7.602 57 H GLY 9 H GLY 9 1.546 -3.669 -8.404 58 HA2 GLY 9 HA2 GLY 9 0.648 -5.710 -10.338 59 HA3 GLY 9 HA3 GLY 9 -0.422 -4.627 -9.460 60 H ASN 10 H ASN 10 -0.619 -4.892 -12.193 61 HA ASN 10 HA ASN 10 -0.278 -2.174 -13.023 62 HB2 ASN 10 HB2 ASN 10 1.994 -3.178 -13.440 63 HB3 ASN 10 HB3 ASN 10 1.233 -4.264 -14.599 64 HD21 ASN 10 HD21 ASN 10 3.265 -2.152 -14.934 65 HD22 ASN 10 HD22 ASN 10 2.631 -1.093 -16.142 66 H ALA 11 H ALA 11 -2.264 -1.869 -13.794 67 HA ALA 11 HA ALA 11 -3.957 -3.836 -14.829 68 HB1 ALA 11 HB1 ALA 11 -4.752 -1.691 -13.959 69 HB2 ALA 11 HB2 ALA 11 -4.041 -0.866 -15.346 70 HB3 ALA 11 HB3 ALA 11 -5.369 -2.001 -15.582 71 H LEU 12 H LEU 12 -1.624 -1.741 -16.409 72 HA LEU 12 HA LEU 12 -2.420 -2.130 -19.067 73 HB2 LEU 12 HB2 LEU 12 0.411 -1.767 -18.112 74 HB3 LEU 12 HB3 LEU 12 -0.249 -1.347 -19.690 75 HG LEU 12 HG LEU 12 -1.024 -0.002 -17.104 76 HD11 LEU 12 HD11 LEU 12 1.009 0.722 -19.195 77 HD12 LEU 12 HD12 LEU 12 1.236 0.562 -17.454 78 HD13 LEU 12 HD13 LEU 12 0.302 1.911 -18.100 79 HD21 LEU 12 HD21 LEU 12 -2.631 -0.046 -19.096 80 HD22 LEU 12 HD22 LEU 12 -1.458 0.998 -19.901 81 HD23 LEU 12 HD23 LEU 12 -2.227 1.525 -18.403 82 H TYR 13 H TYR 13 -0.774 -4.205 -16.853 83 HA TYR 13 HA TYR 13 -0.100 -6.066 -19.028 84 HB2 TYR 13 HB2 TYR 13 1.075 -5.520 -16.352 85 HB3 TYR 13 HB3 TYR 13 1.113 -7.186 -16.919 86 HD1 TYR 13 HD1 TYR 13 2.154 -3.730 -17.759 87 HD2 TYR 13 HD2 TYR 13 2.677 -7.878 -18.548 88 HE1 TYR 13 HE1 TYR 13 4.145 -3.217 -19.110 89 HE2 TYR 13 HE2 TYR 13 4.669 -7.377 -19.900 90 HH TYR 13 HH TYR 13 5.601 -5.474 -21.167 91 H GLY 14 H GLY 14 -2.738 -5.545 -17.551 92 HA2 GLY 14 HA2 GLY 14 -4.528 -6.794 -16.845 93 HA3 GLY 14 HA3 GLY 14 -3.746 -8.147 -17.649 94 H THR 15 H THR 15 -2.032 -6.542 -15.122 95 HA THR 15 HA THR 15 -2.492 -8.874 -13.384 96 HB THR 15 HB THR 15 -0.332 -8.582 -12.455 97 HG1 THR 15 HG1 THR 15 0.139 -6.247 -13.978 98 HG21 THR 15 HG21 THR 15 0.754 -9.407 -14.226 99 HG22 THR 15 HG22 THR 15 0.637 -7.878 -15.097 100 HG23 THR 15 HG23 THR 15 -0.689 -9.038 -15.171 101 H LYS 16 H LYS 16 -3.536 -8.576 -11.532 102 HA LYS 16 HA LYS 16 -4.015 -5.836 -10.612 103 HB2 LYS 16 HB2 LYS 16 -5.783 -6.907 -9.191 104 HB3 LYS 16 HB3 LYS 16 -6.031 -7.088 -10.923 105 HG2 LYS 16 HG2 LYS 16 -5.815 -9.323 -10.854 106 HG3 LYS 16 HG3 LYS 16 -4.537 -9.268 -9.638 107 HD2 LYS 16 HD2 LYS 16 -7.119 -8.392 -8.613 108 HD3 LYS 16 HD3 LYS 16 -7.146 -10.051 -9.216 109 HE2 LYS 16 HE2 LYS 16 -4.923 -10.254 -7.841 110 HE3 LYS 16 HE3 LYS 16 -5.573 -8.863 -6.975 111 HZ1 LYS 16 HZ1 LYS 16 -6.263 -11.576 -6.705 112 HZ2 LYS 16 HZ2 LYS 16 -7.628 -10.722 -7.223 113 HZ3 LYS 16 HZ3 LYS 16 -6.821 -10.251 -5.812 114 H GLY 17 H GLY 17 -1.601 -6.101 -9.945 115 HA2 GLY 17 HA2 GLY 17 -1.291 -7.513 -7.408 116 HA3 GLY 17 HA3 GLY 17 -0.013 -6.728 -8.325 117 HA PRO 18 HA PRO 18 -1.389 -4.097 -4.662 118 HB2 PRO 18 HB2 PRO 18 0.964 -4.178 -3.311 119 HB3 PRO 18 HB3 PRO 18 -0.323 -5.365 -3.070 120 HG2 PRO 18 HG2 PRO 18 2.167 -5.578 -4.719 121 HG3 PRO 18 HG3 PRO 18 1.432 -6.780 -3.641 122 HD2 PRO 18 HD2 PRO 18 1.135 -6.861 -6.331 123 HD3 PRO 18 HD3 PRO 18 -0.125 -7.424 -5.214 124 H GLY 19 H GLY 19 -0.434 -2.012 -4.018 125 HA2 GLY 19 HA2 GLY 19 1.132 -0.879 -6.243 126 HA3 GLY 19 HA3 GLY 19 0.034 0.028 -5.213 127 H CYS 20 H CYS 20 3.141 -0.208 -5.920 128 HA CYS 20 HA CYS 20 4.391 -0.443 -3.376 129 HB2 CYS 20 HB2 CYS 20 5.477 0.972 -5.816 130 HB3 CYS 20 HB3 CYS 20 6.400 0.291 -4.480 131 H CYS 21 H CYS 21 5.395 1.220 -2.138 132 HA CYS 21 HA CYS 21 3.750 3.510 -1.774 133 HB2 CYS 21 HB2 CYS 21 6.508 3.118 -0.615 134 HB3 CYS 21 HB3 CYS 21 5.176 4.057 0.053 135 H ASN 22 H ASN 22 6.901 2.962 -3.254 136 HA ASN 22 HA ASN 22 6.663 5.330 -4.837 137 HB2 ASN 22 HB2 ASN 22 7.426 6.378 -2.768 138 HB3 ASN 22 HB3 ASN 22 8.788 5.264 -2.683 139 HD21 ASN 22 HD21 ASN 22 7.581 8.173 -3.979 140 HD22 ASN 22 HD22 ASN 22 8.969 8.604 -4.914 141 H GLY 23 H GLY 23 7.231 4.443 -6.719 142 HA2 GLY 23 HA2 GLY 23 9.693 3.935 -7.634 143 HA3 GLY 23 HA3 GLY 23 9.312 2.417 -6.834 144 H LYS 24 H LYS 24 9.829 2.833 -9.637 145 HA LYS 24 HA LYS 24 7.284 2.659 -10.993 146 HB2 LYS 24 HB2 LYS 24 10.152 2.667 -11.814 147 HB3 LYS 24 HB3 LYS 24 8.975 1.975 -12.923 148 HG2 LYS 24 HG2 LYS 24 7.764 4.047 -13.017 149 HG3 LYS 24 HG3 LYS 24 8.797 4.751 -11.771 150 HD2 LYS 24 HD2 LYS 24 10.423 3.736 -13.897 151 HD3 LYS 24 HD3 LYS 24 9.172 4.786 -14.566 152 HE2 LYS 24 HE2 LYS 24 10.747 6.359 -14.082 153 HE3 LYS 24 HE3 LYS 24 9.904 6.323 -12.534 154 HZ1 LYS 24 HZ1 LYS 24 11.652 5.388 -11.506 155 HZ2 LYS 24 HZ2 LYS 24 12.537 6.046 -12.788 156 HZ3 LYS 24 HZ3 LYS 24 12.073 4.419 -12.828 157 H CYS 25 H CYS 25 6.671 0.830 -12.325 158 HA CYS 25 HA CYS 25 7.327 -1.700 -11.004 159 HB2 CYS 25 HB2 CYS 25 4.987 -0.671 -12.534 160 HB3 CYS 25 HB3 CYS 25 5.311 -2.400 -12.604 161 H ILE 26 H ILE 26 8.259 -3.391 -12.035 162 HA ILE 26 HA ILE 26 9.066 -2.952 -14.835 163 HB ILE 26 HB ILE 26 10.470 -4.579 -12.712 164 HG12 ILE 26 HG12 ILE 26 10.708 -2.170 -12.356 165 HG13 ILE 26 HG13 ILE 26 12.232 -2.864 -12.898 166 HG21 ILE 26 HG21 ILE 26 11.459 -5.648 -14.386 167 HG22 ILE 26 HG22 ILE 26 10.610 -4.659 -15.573 168 HG23 ILE 26 HG23 ILE 26 12.150 -4.113 -14.911 169 HD11 ILE 26 HD11 ILE 26 11.028 -2.100 -15.244 170 HD12 ILE 26 HD12 ILE 26 10.575 -0.821 -14.116 171 HD13 ILE 26 HD13 ILE 26 12.276 -1.209 -14.374 172 H CYS 27 H CYS 27 7.224 -3.940 -15.719 173 HA CYS 27 HA CYS 27 6.580 -6.671 -15.004 174 HB2 CYS 27 HB2 CYS 27 5.448 -4.737 -17.025 175 HB3 CYS 27 HB3 CYS 27 4.905 -6.408 -16.907 176 H ARG 28 H ARG 28 7.489 -8.400 -15.882 177 HA ARG 28 HA ARG 28 8.420 -8.300 -18.652 178 HB2 ARG 28 HB2 ARG 28 10.161 -9.452 -16.477 179 HB3 ARG 28 HB3 ARG 28 10.581 -9.166 -18.160 180 HG2 ARG 28 HG2 ARG 28 10.038 -6.665 -17.494 181 HG3 ARG 28 HG3 ARG 28 10.446 -7.269 -15.887 182 HD2 ARG 28 HD2 ARG 28 12.627 -7.397 -16.371 183 HD3 ARG 28 HD3 ARG 28 12.321 -8.126 -17.947 184 HE ARG 28 HE ARG 28 11.702 -5.339 -17.904 185 HH11 ARG 28 HH11 ARG 28 14.301 -7.639 -18.178 186 HH12 ARG 28 HH12 ARG 28 15.330 -6.567 -19.070 187 HH21 ARG 28 HH21 ARG 28 13.046 -3.918 -19.078 188 HH22 ARG 28 HH22 ARG 28 14.615 -4.451 -19.580 189 H THR 29 H THR 29 8.198 -10.196 -19.747 190 HA THR 29 HA THR 29 6.767 -12.327 -18.352 191 HB THR 29 HB THR 29 5.691 -11.610 -20.366 192 HG1 THR 29 HG1 THR 29 5.868 -13.625 -21.613 193 HG21 THR 29 HG21 THR 29 7.423 -10.545 -21.583 194 HG22 THR 29 HG22 THR 29 6.895 -11.900 -22.581 195 HG23 THR 29 HG23 THR 29 8.385 -12.021 -21.647 196 H VAL 30 H VAL 30 7.557 -14.331 -18.028 197 HA VAL 30 HA VAL 30 10.004 -15.160 -19.392 198 HB VAL 30 HB VAL 30 9.756 -14.674 -16.464 199 HG11 VAL 30 HG11 VAL 30 11.737 -16.292 -16.203 200 HG12 VAL 30 HG12 VAL 30 10.111 -16.973 -16.291 201 HG13 VAL 30 HG13 VAL 30 11.163 -17.012 -17.707 202 HG21 VAL 30 HG21 VAL 30 12.320 -14.684 -17.957 203 HG22 VAL 30 HG22 VAL 30 11.148 -13.428 -18.355 204 HG23 VAL 30 HG23 VAL 30 11.744 -13.586 -16.703 205 HA PRO 31 HA PRO 31 7.359 -18.744 -19.858 206 HB2 PRO 31 HB2 PRO 31 10.036 -19.877 -20.530 207 HB3 PRO 31 HB3 PRO 31 8.508 -20.001 -21.410 208 HG2 PRO 31 HG2 PRO 31 10.454 -18.345 -22.217 209 HG3 PRO 31 HG3 PRO 31 8.741 -17.917 -22.378 210 HD2 PRO 31 HD2 PRO 31 10.780 -16.893 -20.501 211 HD3 PRO 31 HD3 PRO 31 9.338 -16.096 -21.162 212 H ARG 32 H ARG 32 10.545 -18.864 -18.282 213 HA ARG 32 HA ARG 32 10.027 -21.261 -16.847 214 HB2 ARG 32 HB2 ARG 32 12.122 -19.141 -16.783 215 HB3 ARG 32 HB3 ARG 32 11.982 -20.203 -15.388 216 HG2 ARG 32 HG2 ARG 32 13.408 -21.494 -16.534 217 HG3 ARG 32 HG3 ARG 32 11.958 -22.012 -17.397 218 HD2 ARG 32 HD2 ARG 32 13.088 -21.393 -19.234 219 HD3 ARG 32 HD3 ARG 32 12.624 -19.758 -18.765 220 HE ARG 32 HE ARG 32 14.980 -20.306 -17.433 221 HH11 ARG 32 HH11 ARG 32 13.903 -20.097 -20.737 222 HH12 ARG 32 HH12 ARG 32 15.445 -19.590 -21.344 223 HH21 ARG 32 HH21 ARG 32 17.014 -19.639 -18.220 224 HH22 ARG 32 HH22 ARG 32 17.214 -19.330 -19.911 225 H LYS 33 H LYS 33 7.926 -20.812 -15.959 226 HA LYS 33 HA LYS 33 6.447 -20.103 -14.370 227 HB2 LYS 33 HB2 LYS 33 8.131 -21.504 -13.090 228 HB3 LYS 33 HB3 LYS 33 8.874 -19.994 -12.579 229 HG2 LYS 33 HG2 LYS 33 6.352 -19.483 -11.867 230 HG3 LYS 33 HG3 LYS 33 6.334 -21.243 -11.736 231 HD2 LYS 33 HD2 LYS 33 7.950 -21.264 -10.074 232 HD3 LYS 33 HD3 LYS 33 8.566 -19.669 -10.513 233 HE2 LYS 33 HE2 LYS 33 7.414 -19.248 -8.547 234 HE3 LYS 33 HE3 LYS 33 6.229 -18.832 -9.785 235 HZ1 LYS 33 HZ1 LYS 33 6.312 -21.533 -8.592 236 HZ2 LYS 33 HZ2 LYS 33 5.035 -20.773 -9.400 237 HZ3 LYS 33 HZ3 LYS 33 5.469 -20.272 -7.843 238 H GLY 34 H GLY 34 6.962 -18.010 -15.914 239 HA2 GLY 34 HA2 GLY 34 7.151 -15.791 -13.983 240 HA3 GLY 34 HA3 GLY 34 8.047 -15.722 -15.493 241 H VAL 35 H VAL 35 4.724 -16.306 -14.340 242 HA VAL 35 HA VAL 35 3.572 -15.375 -16.798 243 HB VAL 35 HB VAL 35 2.360 -17.043 -15.577 244 HG11 VAL 35 HG11 VAL 35 2.505 -17.091 -13.360 245 HG12 VAL 35 HG12 VAL 35 3.072 -15.420 -13.307 246 HG13 VAL 35 HG13 VAL 35 1.342 -15.766 -13.312 247 HG21 VAL 35 HG21 VAL 35 0.310 -16.190 -15.973 248 HG22 VAL 35 HG22 VAL 35 0.586 -14.775 -14.958 249 HG23 VAL 35 HG23 VAL 35 1.224 -14.819 -16.602 250 H ASN 36 H ASN 36 4.532 -13.266 -16.932 251 HA ASN 36 HA ASN 36 4.431 -10.996 -16.804 252 HB2 ASN 36 HB2 ASN 36 1.909 -11.430 -15.189 253 HB3 ASN 36 HB3 ASN 36 2.390 -9.947 -16.008 254 HD21 ASN 36 HD21 ASN 36 1.231 -9.615 -17.748 255 HD22 ASN 36 HD22 ASN 36 0.690 -10.819 -18.863 256 H SER 37 H SER 37 6.319 -11.671 -15.308 257 HA SER 37 HA SER 37 5.937 -11.215 -12.496 258 HB2 SER 37 HB2 SER 37 7.680 -12.755 -13.398 259 HB3 SER 37 HB3 SER 37 8.529 -11.356 -14.055 260 HG SER 37 HG SER 37 8.158 -12.122 -11.376 261 H CYS 38 H CYS 38 5.312 -9.194 -11.977 262 HA CYS 38 HA CYS 38 6.777 -6.927 -13.132 263 HB2 CYS 38 HB2 CYS 38 4.158 -7.039 -11.625 264 HB3 CYS 38 HB3 CYS 38 4.925 -5.551 -12.171 265 H ARG 39 H ARG 39 8.624 -6.798 -11.932 266 HA ARG 39 HA ARG 39 8.428 -6.795 -9.019 267 HB2 ARG 39 HB2 ARG 39 10.267 -7.950 -10.553 268 HB3 ARG 39 HB3 ARG 39 11.016 -6.364 -10.431 269 HG2 ARG 39 HG2 ARG 39 11.935 -7.738 -8.725 270 HG3 ARG 39 HG3 ARG 39 10.867 -6.566 -7.950 271 HD2 ARG 39 HD2 ARG 39 10.631 -8.866 -7.053 272 HD3 ARG 39 HD3 ARG 39 9.135 -8.212 -7.719 273 HE ARG 39 HE ARG 39 9.176 -9.842 -9.332 274 HH11 ARG 39 HH11 ARG 39 12.278 -9.696 -7.759 275 HH12 ARG 39 HH12 ARG 39 12.876 -11.135 -8.516 276 HH21 ARG 39 HH21 ARG 39 9.951 -11.738 -10.335 277 HH22 ARG 39 HH22 ARG 39 11.552 -12.295 -9.982 278 H CYS 40 H CYS 40 8.682 -5.025 -7.771 279 HA CYS 40 HA CYS 40 8.510 -2.448 -9.016 280 HB2 CYS 40 HB2 CYS 40 7.518 -3.358 -6.726 281 HB3 CYS 40 HB3 CYS 40 9.038 -2.733 -6.093 282 H MET 41 H MET 41 10.088 -1.031 -9.421 283 HA MET 41 HA MET 41 12.609 -1.172 -7.983 284 HB2 MET 41 HB2 MET 41 12.504 -2.605 -10.249 285 HB3 MET 41 HB3 MET 41 12.898 -1.034 -10.935 286 HG2 MET 41 HG2 MET 41 14.603 -1.421 -8.724 287 HG3 MET 41 HG3 MET 41 14.605 -2.917 -9.654 288 HE1 MET 41 HE1 MET 41 17.069 -0.351 -9.243 289 HE2 MET 41 HE2 MET 41 17.180 -2.093 -9.493 290 HE3 MET 41 HE3 MET 41 17.895 -0.987 -10.667 Start of MODEL 10 1 H1 CYS 1 H CYS 1 1.383 -0.144 1.599 2 HA CYS 1 HA CYS 1 0.958 -0.633 -1.204 3 HB2 CYS 1 HB2 CYS 1 2.783 1.041 -1.849 4 HB3 CYS 1 HB3 CYS 1 1.193 1.699 -1.473 5 H ALA 2 H ALA 2 2.793 -1.594 -2.236 6 HA ALA 2 HA ALA 2 4.346 -3.205 -0.455 7 HB1 ALA 2 HB1 ALA 2 5.463 -3.756 -2.809 8 HB2 ALA 2 HB2 ALA 2 3.903 -4.419 -2.321 9 HB3 ALA 2 HB3 ALA 2 3.969 -3.016 -3.386 10 H SER 3 H SER 3 6.725 -3.414 -0.654 11 HA SER 3 HA SER 3 7.939 -0.756 -0.616 12 HB2 SER 3 HB2 SER 3 9.478 -3.198 0.137 13 HB3 SER 3 HB3 SER 3 9.504 -1.587 0.854 14 HG SER 3 HG SER 3 7.289 -2.142 1.584 15 H LYS 4 H LYS 4 10.353 -0.796 -1.331 16 HA LYS 4 HA LYS 4 10.405 -1.176 -4.116 17 HB2 LYS 4 HB2 LYS 4 12.622 -0.381 -4.052 18 HB3 LYS 4 HB3 LYS 4 11.813 0.424 -2.714 19 HG2 LYS 4 HG2 LYS 4 13.531 -0.247 -1.474 20 HG3 LYS 4 HG3 LYS 4 12.805 -1.855 -1.545 21 HD2 LYS 4 HD2 LYS 4 14.134 -1.930 -3.845 22 HD3 LYS 4 HD3 LYS 4 15.147 -0.754 -3.004 23 HE2 LYS 4 HE2 LYS 4 15.171 -2.434 -1.075 24 HE3 LYS 4 HE3 LYS 4 14.537 -3.595 -2.240 25 HZ1 LYS 4 HZ1 LYS 4 16.719 -2.304 -3.410 26 HZ2 LYS 4 HZ2 LYS 4 16.589 -3.927 -2.955 27 HZ3 LYS 4 HZ3 LYS 4 17.194 -2.789 -1.860 28 H ASN 5 H ASN 5 11.314 -2.727 -5.414 29 HA ASN 5 HA ASN 5 12.217 -4.726 -6.049 30 HB2 ASN 5 HB2 ASN 5 13.862 -4.099 -4.092 31 HB3 ASN 5 HB3 ASN 5 13.022 -5.393 -3.243 32 HD21 ASN 5 HD21 ASN 5 15.797 -5.104 -4.306 33 HD22 ASN 5 HD22 ASN 5 16.045 -6.513 -5.274 34 H GLU 6 H GLU 6 9.649 -4.251 -4.169 35 HA GLU 6 HA GLU 6 9.053 -7.065 -3.649 36 HB2 GLU 6 HB2 GLU 6 7.376 -4.645 -2.977 37 HB3 GLU 6 HB3 GLU 6 7.172 -6.279 -2.361 38 HG2 GLU 6 HG2 GLU 6 9.659 -4.674 -1.871 39 HG3 GLU 6 HG3 GLU 6 8.251 -4.595 -0.813 40 H ARG 7 H ARG 7 6.893 -7.888 -4.249 41 HA ARG 7 HA ARG 7 6.415 -7.483 -7.027 42 HB2 ARG 7 HB2 ARG 7 4.596 -9.120 -6.729 43 HB3 ARG 7 HB3 ARG 7 6.108 -9.674 -6.023 44 HG2 ARG 7 HG2 ARG 7 4.968 -8.463 -3.889 45 HG3 ARG 7 HG3 ARG 7 3.542 -9.050 -4.748 46 HD2 ARG 7 HD2 ARG 7 3.999 -11.197 -4.281 47 HD3 ARG 7 HD3 ARG 7 5.725 -10.992 -4.579 48 HE ARG 7 HE ARG 7 4.364 -10.819 -2.046 49 HH11 ARG 7 HH11 ARG 7 7.204 -9.939 -3.857 50 HH12 ARG 7 HH12 ARG 7 8.195 -9.730 -2.451 51 HH21 ARG 7 HH21 ARG 7 5.658 -10.548 -0.188 52 HH22 ARG 7 HH22 ARG 7 7.315 -10.078 -0.365 53 H CYS 8 H CYS 8 5.188 -5.992 -7.953 54 HA CYS 8 HA CYS 8 3.075 -4.714 -6.345 55 HB2 CYS 8 HB2 CYS 8 3.414 -2.694 -7.675 56 HB3 CYS 8 HB3 CYS 8 4.923 -3.186 -6.912 57 H GLY 9 H GLY 9 1.605 -3.427 -8.144 58 HA2 GLY 9 HA2 GLY 9 0.674 -5.567 -9.958 59 HA3 GLY 9 HA3 GLY 9 -0.403 -4.451 -9.132 60 H ASN 10 H ASN 10 -0.587 -4.791 -11.846 61 HA ASN 10 HA ASN 10 -0.203 -2.108 -12.764 62 HB2 ASN 10 HB2 ASN 10 2.059 -3.185 -13.126 63 HB3 ASN 10 HB3 ASN 10 1.279 -4.256 -14.287 64 HD21 ASN 10 HD21 ASN 10 3.353 -2.109 -14.521 65 HD22 ASN 10 HD22 ASN 10 2.768 -1.076 -15.777 66 H ALA 11 H ALA 11 -2.191 -1.816 -13.540 67 HA ALA 11 HA ALA 11 -3.879 -3.808 -14.548 68 HB1 ALA 11 HB1 ALA 11 -3.983 -0.845 -15.100 69 HB2 ALA 11 HB2 ALA 11 -5.306 -1.993 -15.307 70 HB3 ALA 11 HB3 ALA 11 -4.679 -1.653 -13.695 71 H LEU 12 H LEU 12 -1.499 -1.781 -16.120 72 HA LEU 12 HA LEU 12 -2.294 -2.128 -18.784 73 HB2 LEU 12 HB2 LEU 12 -0.451 -0.628 -17.671 74 HB3 LEU 12 HB3 LEU 12 0.595 -1.994 -18.056 75 HG LEU 12 HG LEU 12 -0.020 -1.751 -20.437 76 HD11 LEU 12 HD11 LEU 12 -1.844 -0.610 -20.972 77 HD12 LEU 12 HD12 LEU 12 -1.003 0.869 -20.511 78 HD13 LEU 12 HD13 LEU 12 -1.995 0.014 -19.330 79 HD21 LEU 12 HD21 LEU 12 1.517 -0.091 -20.848 80 HD22 LEU 12 HD22 LEU 12 1.901 -0.505 -19.177 81 HD23 LEU 12 HD23 LEU 12 0.933 0.927 -19.532 82 H TYR 13 H TYR 13 -0.824 -4.299 -16.562 83 HA TYR 13 HA TYR 13 -0.197 -6.172 -18.745 84 HB2 TYR 13 HB2 TYR 13 0.997 -5.718 -16.049 85 HB3 TYR 13 HB3 TYR 13 1.019 -7.352 -16.703 86 HD1 TYR 13 HD2 TYR 13 2.002 -3.852 -17.492 87 HD2 TYR 13 HD1 TYR 13 2.670 -7.988 -18.231 88 HE1 TYR 13 HE2 TYR 13 3.997 -3.287 -18.815 89 HE2 TYR 13 HE1 TYR 13 4.668 -7.435 -19.555 90 HH TYR 13 HH TYR 13 5.319 -4.453 -20.742 91 H GLY 14 H GLY 14 -2.780 -5.528 -17.168 92 HA2 GLY 14 HA2 GLY 14 -4.639 -6.739 -16.569 93 HA3 GLY 14 HA3 GLY 14 -3.830 -8.157 -17.219 94 H THR 15 H THR 15 -2.133 -6.434 -14.793 95 HA THR 15 HA THR 15 -2.806 -8.545 -12.853 96 HB THR 15 HB THR 15 -0.642 -8.346 -11.907 97 HG1 THR 15 HG1 THR 15 0.791 -6.680 -12.529 98 HG21 THR 15 HG21 THR 15 -0.282 -8.080 -14.894 99 HG22 THR 15 HG22 THR 15 -0.742 -9.564 -14.061 100 HG23 THR 15 HG23 THR 15 0.837 -8.838 -13.762 101 H LYS 16 H LYS 16 -3.850 -7.976 -11.066 102 HA LYS 16 HA LYS 16 -4.082 -5.126 -10.420 103 HB2 LYS 16 HB2 LYS 16 -5.696 -7.316 -9.145 104 HB3 LYS 16 HB3 LYS 16 -6.104 -5.616 -9.333 105 HG2 LYS 16 HG2 LYS 16 -6.358 -5.946 -11.744 106 HG3 LYS 16 HG3 LYS 16 -5.966 -7.655 -11.545 107 HD2 LYS 16 HD2 LYS 16 -8.062 -8.135 -10.963 108 HD3 LYS 16 HD3 LYS 16 -8.066 -6.870 -9.732 109 HE2 LYS 16 HE2 LYS 16 -8.312 -5.319 -11.868 110 HE3 LYS 16 HE3 LYS 16 -8.998 -6.791 -12.553 111 HZ1 LYS 16 HZ1 LYS 16 -9.914 -5.600 -9.996 112 HZ2 LYS 16 HZ2 LYS 16 -10.653 -6.842 -10.874 113 HZ3 LYS 16 HZ3 LYS 16 -10.635 -5.266 -11.490 114 H GLY 17 H GLY 17 -1.643 -6.247 -9.764 115 HA2 GLY 17 HA2 GLY 17 -1.567 -7.223 -7.086 116 HA3 GLY 17 HA3 GLY 17 -0.197 -6.632 -8.015 117 HA PRO 18 HA PRO 18 -1.374 -3.650 -4.554 118 HB2 PRO 18 HB2 PRO 18 0.918 -3.900 -3.121 119 HB3 PRO 18 HB3 PRO 18 -0.497 -4.925 -2.855 120 HG2 PRO 18 HG2 PRO 18 1.998 -5.507 -4.403 121 HG3 PRO 18 HG3 PRO 18 1.107 -6.553 -3.282 122 HD2 PRO 18 HD2 PRO 18 0.876 -6.769 -5.971 123 HD3 PRO 18 HD3 PRO 18 -0.467 -7.122 -4.866 124 H GLY 19 H GLY 19 -0.644 -1.543 -4.444 125 HA2 GLY 19 HA2 GLY 19 1.162 -0.733 -6.557 126 HA3 GLY 19 HA3 GLY 19 0.237 0.330 -5.507 127 H CYS 20 H CYS 20 3.151 0.174 -6.365 128 HA CYS 20 HA CYS 20 4.575 -0.322 -3.909 129 HB2 CYS 20 HB2 CYS 20 5.363 -0.491 -6.447 130 HB3 CYS 20 HB3 CYS 20 5.830 1.181 -6.156 131 H CYS 21 H CYS 21 5.509 1.180 -2.551 132 HA CYS 21 HA CYS 21 4.154 3.670 -2.296 133 HB2 CYS 21 HB2 CYS 21 6.684 2.807 -0.884 134 HB3 CYS 21 HB3 CYS 21 5.532 4.028 -0.351 135 H ASN 22 H ASN 22 7.077 2.657 -3.842 136 HA ASN 22 HA ASN 22 7.400 5.178 -5.127 137 HB2 ASN 22 HB2 ASN 22 8.403 5.695 -2.913 138 HB3 ASN 22 HB3 ASN 22 9.558 4.388 -3.158 139 HD21 ASN 22 HD21 ASN 22 11.332 5.724 -3.097 140 HD22 ASN 22 HD22 ASN 22 11.707 6.841 -4.361 141 H GLY 23 H GLY 23 8.467 4.936 -7.019 142 HA2 GLY 23 HA2 GLY 23 10.289 3.954 -8.295 143 HA3 GLY 23 HA3 GLY 23 10.047 2.470 -7.385 144 H LYS 24 H LYS 24 10.117 2.751 -10.243 145 HA LYS 24 HA LYS 24 7.393 2.542 -11.180 146 HB2 LYS 24 HB2 LYS 24 9.569 3.405 -12.420 147 HB3 LYS 24 HB3 LYS 24 9.722 1.706 -12.850 148 HG2 LYS 24 HG2 LYS 24 7.841 1.725 -14.162 149 HG3 LYS 24 HG3 LYS 24 7.117 3.081 -13.294 150 HD2 LYS 24 HD2 LYS 24 7.800 3.835 -15.472 151 HD3 LYS 24 HD3 LYS 24 8.865 4.560 -14.264 152 HE2 LYS 24 HE2 LYS 24 10.070 3.724 -16.260 153 HE3 LYS 24 HE3 LYS 24 10.596 2.964 -14.759 154 HZ1 LYS 24 HZ1 LYS 24 8.537 1.702 -16.456 155 HZ2 LYS 24 HZ2 LYS 24 9.542 0.986 -15.299 156 HZ3 LYS 24 HZ3 LYS 24 10.183 1.484 -16.784 157 H CYS 25 H CYS 25 6.552 0.664 -12.280 158 HA CYS 25 HA CYS 25 7.342 -1.799 -10.930 159 HB2 CYS 25 HB2 CYS 25 4.892 -0.866 -12.367 160 HB3 CYS 25 HB3 CYS 25 5.194 -2.596 -12.244 161 H ILE 26 H ILE 26 8.402 -3.409 -11.895 162 HA ILE 26 HA ILE 26 8.903 -3.192 -14.781 163 HB ILE 26 HB ILE 26 10.430 -4.738 -12.683 164 HG12 ILE 26 HG12 ILE 26 11.144 -2.215 -14.193 165 HG13 ILE 26 HG13 ILE 26 10.695 -2.297 -12.494 166 HG21 ILE 26 HG21 ILE 26 11.354 -5.878 -14.345 167 HG22 ILE 26 HG22 ILE 26 10.339 -5.028 -15.509 168 HG23 ILE 26 HG23 ILE 26 11.914 -4.369 -15.066 169 HD11 ILE 26 HD11 ILE 26 12.678 -3.716 -12.090 170 HD12 ILE 26 HD12 ILE 26 13.145 -3.478 -13.774 171 HD13 ILE 26 HD13 ILE 26 13.071 -2.100 -12.675 172 H CYS 27 H CYS 27 6.946 -4.177 -15.433 173 HA CYS 27 HA CYS 27 6.341 -6.866 -14.562 174 HB2 CYS 27 HB2 CYS 27 5.074 -5.034 -16.601 175 HB3 CYS 27 HB3 CYS 27 4.505 -6.672 -16.296 176 H ARG 28 H ARG 28 6.895 -8.709 -15.547 177 HA ARG 28 HA ARG 28 7.985 -8.571 -18.275 178 HB2 ARG 28 HB2 ARG 28 9.851 -8.709 -16.686 179 HB3 ARG 28 HB3 ARG 28 9.144 -10.154 -15.975 180 HG2 ARG 28 HG2 ARG 28 9.651 -11.465 -17.819 181 HG3 ARG 28 HG3 ARG 28 9.824 -10.069 -18.885 182 HD2 ARG 28 HD2 ARG 28 12.012 -10.092 -18.517 183 HD3 ARG 28 HD3 ARG 28 11.707 -9.751 -16.814 184 HE ARG 28 HE ARG 28 12.448 -12.280 -17.975 185 HH11 ARG 28 HH11 ARG 28 10.957 -10.684 -15.264 186 HH12 ARG 28 HH12 ARG 28 11.247 -11.993 -14.167 187 HH21 ARG 28 HH21 ARG 28 12.837 -14.010 -16.540 188 HH22 ARG 28 HH22 ARG 28 12.318 -13.884 -14.894 189 H THR 29 H THR 29 7.841 -10.540 -19.487 190 HA THR 29 HA THR 29 6.171 -12.664 -18.395 191 HB THR 29 HB THR 29 5.335 -11.608 -21.059 192 HG1 THR 29 HG1 THR 29 4.600 -9.820 -20.217 193 HG21 THR 29 HG21 THR 29 3.115 -12.303 -19.591 194 HG22 THR 29 HG22 THR 29 4.341 -13.426 -19.002 195 HG23 THR 29 HG23 THR 29 3.966 -13.353 -20.723 196 H VAL 30 H VAL 30 7.233 -14.469 -18.853 197 HA VAL 30 HA VAL 30 7.934 -15.167 -21.530 198 HB VAL 30 HB VAL 30 9.859 -13.685 -20.824 199 HG11 VAL 30 HG11 VAL 30 9.760 -14.943 -18.469 200 HG12 VAL 30 HG12 VAL 30 10.989 -15.930 -19.263 201 HG13 VAL 30 HG13 VAL 30 11.228 -14.190 -19.090 202 HG21 VAL 30 HG21 VAL 30 10.551 -16.550 -21.463 203 HG22 VAL 30 HG22 VAL 30 9.998 -15.356 -22.638 204 HG23 VAL 30 HG23 VAL 30 11.536 -15.128 -21.804 205 HA PRO 31 HA PRO 31 6.984 -19.174 -19.976 206 HB2 PRO 31 HB2 PRO 31 9.121 -20.002 -21.886 207 HB3 PRO 31 HB3 PRO 31 7.470 -20.609 -21.712 208 HG2 PRO 31 HG2 PRO 31 8.147 -18.949 -23.705 209 HG3 PRO 31 HG3 PRO 31 6.559 -18.864 -22.920 210 HD2 PRO 31 HD2 PRO 31 8.878 -17.047 -22.702 211 HD3 PRO 31 HD3 PRO 31 7.144 -16.707 -22.528 212 H ARG 32 H ARG 32 10.228 -17.901 -20.112 213 HA ARG 32 HA ARG 32 11.457 -20.003 -18.617 214 HB2 ARG 32 HB2 ARG 32 12.541 -18.231 -20.189 215 HB3 ARG 32 HB3 ARG 32 12.544 -17.211 -18.756 216 HG2 ARG 32 HG2 ARG 32 13.950 -18.738 -17.582 217 HG3 ARG 32 HG3 ARG 32 13.796 -19.944 -18.862 218 HD2 ARG 32 HD2 ARG 32 15.865 -19.000 -19.302 219 HD3 ARG 32 HD3 ARG 32 14.797 -18.105 -20.382 220 HE ARG 32 HE ARG 32 14.993 -16.731 -17.942 221 HH11 ARG 32 HH11 ARG 32 16.920 -17.541 -20.726 222 HH12 ARG 32 HH12 ARG 32 17.925 -16.135 -20.602 223 HH21 ARG 32 HH21 ARG 32 16.309 -14.875 -17.769 224 HH22 ARG 32 HH22 ARG 32 17.577 -14.620 -18.919 225 H LYS 33 H LYS 33 9.486 -19.812 -17.059 226 HA LYS 33 HA LYS 33 8.701 -19.363 -14.970 227 HB2 LYS 33 HB2 LYS 33 11.208 -20.075 -14.616 228 HB3 LYS 33 HB3 LYS 33 11.411 -18.390 -14.153 229 HG2 LYS 33 HG2 LYS 33 9.624 -18.688 -12.463 230 HG3 LYS 33 HG3 LYS 33 9.569 -20.402 -12.880 231 HD2 LYS 33 HD2 LYS 33 11.041 -20.546 -11.160 232 HD3 LYS 33 HD3 LYS 33 12.197 -20.151 -12.434 233 HE2 LYS 33 HE2 LYS 33 12.123 -17.811 -11.821 234 HE3 LYS 33 HE3 LYS 33 10.872 -18.136 -10.622 235 HZ1 LYS 33 HZ1 LYS 33 12.361 -18.927 -9.159 236 HZ2 LYS 33 HZ2 LYS 33 13.472 -18.023 -10.058 237 HZ3 LYS 33 HZ3 LYS 33 13.309 -19.683 -10.338 238 H GLY 34 H GLY 34 8.013 -17.389 -16.599 239 HA2 GLY 34 HA2 GLY 34 8.295 -15.013 -14.893 240 HA3 GLY 34 HA3 GLY 34 8.628 -14.866 -16.613 241 H VAL 35 H VAL 35 6.085 -16.178 -14.483 242 HA VAL 35 HA VAL 35 4.045 -15.644 -16.445 243 HB VAL 35 HB VAL 35 3.782 -16.522 -13.566 244 HG11 VAL 35 HG11 VAL 35 1.548 -17.399 -14.822 245 HG12 VAL 35 HG12 VAL 35 1.645 -15.898 -13.899 246 HG13 VAL 35 HG13 VAL 35 1.820 -15.868 -15.655 247 HG21 VAL 35 HG21 VAL 35 4.388 -18.545 -14.248 248 HG22 VAL 35 HG22 VAL 35 3.082 -18.545 -15.434 249 HG23 VAL 35 HG23 VAL 35 4.671 -17.917 -15.872 250 H ASN 36 H ASN 36 4.569 -13.310 -16.573 251 HA ASN 36 HA ASN 36 4.046 -11.131 -16.190 252 HB2 ASN 36 HB2 ASN 36 1.853 -12.325 -14.478 253 HB3 ASN 36 HB3 ASN 36 1.925 -10.653 -15.027 254 HD21 ASN 36 HD21 ASN 36 1.034 -10.158 -16.913 255 HD22 ASN 36 HD22 ASN 36 0.475 -11.297 -18.085 256 H SER 37 H SER 37 6.187 -11.573 -14.892 257 HA SER 37 HA SER 37 5.874 -11.182 -12.030 258 HB2 SER 37 HB2 SER 37 8.536 -11.049 -13.383 259 HB3 SER 37 HB3 SER 37 8.104 -11.752 -11.824 260 HG SER 37 HG SER 37 7.353 -13.540 -12.822 261 H CYS 38 H CYS 38 5.412 -9.199 -11.347 262 HA CYS 38 HA CYS 38 6.662 -6.907 -12.705 263 HB2 CYS 38 HB2 CYS 38 4.163 -7.063 -11.009 264 HB3 CYS 38 HB3 CYS 38 4.851 -5.562 -11.619 265 H ARG 39 H ARG 39 8.602 -6.775 -11.638 266 HA ARG 39 HA ARG 39 8.610 -6.688 -8.721 267 HB2 ARG 39 HB2 ARG 39 10.346 -7.869 -10.352 268 HB3 ARG 39 HB3 ARG 39 11.087 -6.275 -10.324 269 HG2 ARG 39 HG2 ARG 39 12.128 -7.626 -8.655 270 HG3 ARG 39 HG3 ARG 39 11.143 -6.405 -7.846 271 HD2 ARG 39 HD2 ARG 39 10.893 -8.601 -6.798 272 HD3 ARG 39 HD3 ARG 39 9.375 -8.040 -7.498 273 HE ARG 39 HE ARG 39 10.461 -9.555 -9.467 274 HH11 ARG 39 HH11 ARG 39 9.768 -10.109 -6.101 275 HH12 ARG 39 HH12 ARG 39 9.487 -11.807 -6.304 276 HH21 ARG 39 HH21 ARG 39 10.094 -11.789 -9.747 277 HH22 ARG 39 HH22 ARG 39 9.674 -12.761 -8.378 278 H CYS 40 H CYS 40 8.997 -4.892 -7.532 279 HA CYS 40 HA CYS 40 8.718 -2.344 -8.841 280 HB2 CYS 40 HB2 CYS 40 7.683 -3.013 -6.604 281 HB3 CYS 40 HB3 CYS 40 9.289 -2.795 -5.915 282 H MET 41 H MET 41 10.275 -0.943 -9.363 283 HA MET 41 HA MET 41 12.817 -0.924 -7.999 284 HB2 MET 41 HB2 MET 41 12.611 -2.594 -10.189 285 HB3 MET 41 HB3 MET 41 13.286 -1.124 -10.877 286 HG2 MET 41 HG2 MET 41 15.281 -1.514 -9.992 287 HG3 MET 41 HG3 MET 41 14.594 -1.849 -8.404 288 HE1 MET 41 HE1 MET 41 14.078 -4.661 -7.595 289 HE2 MET 41 HE2 MET 41 15.721 -5.210 -7.922 290 HE3 MET 41 HE3 MET 41 15.435 -3.556 -7.379 Start of MODEL 11 1 H1 CYS 1 H CYS 1 2.097 -1.318 2.202 2 HA CYS 1 HA CYS 1 1.231 -1.531 -0.607 3 HB2 CYS 1 HB2 CYS 1 2.505 0.416 -1.144 4 HB3 CYS 1 HB3 CYS 1 1.534 0.815 0.269 5 H ALA 2 H ALA 2 3.288 -1.471 -2.090 6 HA ALA 2 HA ALA 2 5.032 -3.624 -1.128 7 HB1 ALA 2 HB1 ALA 2 5.269 -4.337 -3.301 8 HB2 ALA 2 HB2 ALA 2 3.633 -3.677 -3.336 9 HB3 ALA 2 HB3 ALA 2 4.979 -2.733 -3.974 10 H SER 3 H SER 3 7.287 -3.531 -1.382 11 HA SER 3 HA SER 3 8.344 -0.793 -1.501 12 HB2 SER 3 HB2 SER 3 8.716 -2.172 0.581 13 HB3 SER 3 HB3 SER 3 9.725 -3.243 -0.390 14 HG SER 3 HG SER 3 11.192 -1.852 0.293 15 H LYS 4 H LYS 4 10.814 -0.883 -2.171 16 HA LYS 4 HA LYS 4 10.880 -1.431 -4.920 17 HB2 LYS 4 HB2 LYS 4 13.192 -0.797 -4.849 18 HB3 LYS 4 HB3 LYS 4 12.313 0.235 -3.728 19 HG2 LYS 4 HG2 LYS 4 13.074 -1.155 -1.861 20 HG3 LYS 4 HG3 LYS 4 13.974 -2.168 -2.993 21 HD2 LYS 4 HD2 LYS 4 14.451 0.781 -2.955 22 HD3 LYS 4 HD3 LYS 4 15.176 -0.233 -1.705 23 HE2 LYS 4 HE2 LYS 4 15.465 -0.755 -4.658 24 HE3 LYS 4 HE3 LYS 4 16.620 0.188 -3.716 25 HZ1 LYS 4 HZ1 LYS 4 15.883 -2.532 -2.858 26 HZ2 LYS 4 HZ2 LYS 4 17.294 -1.658 -2.536 27 HZ3 LYS 4 HZ3 LYS 4 17.038 -2.312 -4.075 28 H ASN 5 H ASN 5 11.684 -3.095 -6.122 29 HA ASN 5 HA ASN 5 12.530 -5.149 -6.651 30 HB2 ASN 5 HB2 ASN 5 14.239 -4.443 -4.782 31 HB3 ASN 5 HB3 ASN 5 13.388 -5.652 -3.826 32 HD21 ASN 5 HD21 ASN 5 14.457 -7.480 -3.795 33 HD22 ASN 5 HD22 ASN 5 15.296 -8.197 -5.124 34 H GLU 6 H GLU 6 9.999 -4.496 -4.807 35 HA GLU 6 HA GLU 6 9.351 -7.275 -4.129 36 HB2 GLU 6 HB2 GLU 6 7.781 -4.793 -3.428 37 HB3 GLU 6 HB3 GLU 6 7.592 -6.403 -2.746 38 HG2 GLU 6 HG2 GLU 6 10.102 -4.779 -2.458 39 HG3 GLU 6 HG3 GLU 6 8.776 -4.732 -1.298 40 H ARG 7 H ARG 7 7.368 -8.213 -4.790 41 HA ARG 7 HA ARG 7 6.674 -7.684 -7.481 42 HB2 ARG 7 HB2 ARG 7 4.888 -9.379 -7.107 43 HB3 ARG 7 HB3 ARG 7 6.487 -9.923 -6.619 44 HG2 ARG 7 HG2 ARG 7 5.315 -8.732 -4.355 45 HG3 ARG 7 HG3 ARG 7 4.089 -9.772 -5.084 46 HD2 ARG 7 HD2 ARG 7 5.721 -11.622 -5.111 47 HD3 ARG 7 HD3 ARG 7 6.890 -10.575 -4.307 48 HE ARG 7 HE ARG 7 4.692 -10.529 -2.685 49 HH11 ARG 7 HH11 ARG 7 6.748 -13.017 -3.993 50 HH12 ARG 7 HH12 ARG 7 6.527 -14.087 -2.648 51 HH21 ARG 7 HH21 ARG 7 4.394 -11.930 -0.910 52 HH22 ARG 7 HH22 ARG 7 5.187 -13.469 -0.896 53 H CYS 8 H CYS 8 5.263 -6.296 -8.314 54 HA CYS 8 HA CYS 8 3.186 -5.177 -6.547 55 HB2 CYS 8 HB2 CYS 8 3.395 -3.065 -7.860 56 HB3 CYS 8 HB3 CYS 8 4.843 -3.467 -6.942 57 H GLY 9 H GLY 9 1.533 -3.914 -8.095 58 HA2 GLY 9 HA2 GLY 9 0.686 -5.925 -10.082 59 HA3 GLY 9 HA3 GLY 9 -0.409 -4.893 -9.175 60 H ASN 10 H ASN 10 -0.737 -5.017 -11.845 61 HA ASN 10 HA ASN 10 -0.356 -2.291 -12.623 62 HB2 ASN 10 HB2 ASN 10 1.863 -3.338 -13.184 63 HB3 ASN 10 HB3 ASN 10 1.017 -4.378 -14.326 64 HD21 ASN 10 HD21 ASN 10 3.067 -2.210 -14.617 65 HD22 ASN 10 HD22 ASN 10 2.405 -1.146 -15.806 66 H ALA 11 H ALA 11 -2.345 -1.887 -13.327 67 HA ALA 11 HA ALA 11 -4.152 -3.787 -14.313 68 HB1 ALA 11 HB1 ALA 11 -5.236 -1.568 -15.283 69 HB2 ALA 11 HB2 ALA 11 -5.264 -1.951 -13.561 70 HB3 ALA 11 HB3 ALA 11 -4.063 -0.825 -14.194 71 H LEU 12 H LEU 12 -1.864 -1.680 -15.956 72 HA LEU 12 HA LEU 12 -2.795 -1.997 -18.578 73 HB2 LEU 12 HB2 LEU 12 0.086 -1.692 -17.760 74 HB3 LEU 12 HB3 LEU 12 -0.651 -1.221 -19.290 75 HG LEU 12 HG LEU 12 -1.218 0.066 -16.620 76 HD11 LEU 12 HD11 LEU 12 0.294 1.702 -17.098 77 HD12 LEU 12 HD12 LEU 12 0.174 1.463 -18.841 78 HD13 LEU 12 HD13 LEU 12 1.101 0.330 -17.858 79 HD21 LEU 12 HD21 LEU 12 -1.916 1.694 -18.821 80 HD22 LEU 12 HD22 LEU 12 -2.980 0.976 -17.611 81 HD23 LEU 12 HD23 LEU 12 -2.621 0.102 -19.101 82 H TYR 13 H TYR 13 -1.161 -4.178 -16.489 83 HA TYR 13 HA TYR 13 -0.544 -5.968 -18.740 84 HB2 TYR 13 HB2 TYR 13 0.662 -5.553 -16.056 85 HB3 TYR 13 HB3 TYR 13 0.653 -7.198 -16.683 86 HD1 TYR 13 HD1 TYR 13 1.623 -3.724 -17.628 87 HD2 TYR 13 HD2 TYR 13 2.342 -7.888 -18.126 88 HE1 TYR 13 HE1 TYR 13 3.615 -3.212 -18.977 89 HE2 TYR 13 HE2 TYR 13 4.337 -7.388 -19.474 90 HH TYR 13 HH TYR 13 5.814 -5.734 -20.034 91 H GLY 14 H GLY 14 -3.164 -5.445 -17.244 92 HA2 GLY 14 HA2 GLY 14 -4.976 -6.675 -16.559 93 HA3 GLY 14 HA3 GLY 14 -4.238 -8.011 -17.431 94 H THR 15 H THR 15 -2.529 -6.514 -14.813 95 HA THR 15 HA THR 15 -3.082 -8.886 -13.150 96 HB THR 15 HB THR 15 -0.825 -8.523 -12.147 97 HG1 THR 15 HG1 THR 15 0.570 -7.078 -13.118 98 HG21 THR 15 HG21 THR 15 0.314 -9.703 -13.804 99 HG22 THR 15 HG22 THR 15 -0.507 -8.850 -15.112 100 HG23 THR 15 HG23 THR 15 -1.377 -10.052 -14.160 101 H LYS 16 H LYS 16 -4.093 -8.495 -11.302 102 HA LYS 16 HA LYS 16 -4.201 -5.749 -10.293 103 HB2 LYS 16 HB2 LYS 16 -5.898 -8.193 -9.869 104 HB3 LYS 16 HB3 LYS 16 -5.989 -6.833 -8.756 105 HG2 LYS 16 HG2 LYS 16 -6.193 -5.667 -11.258 106 HG3 LYS 16 HG3 LYS 16 -7.137 -7.152 -11.391 107 HD2 LYS 16 HD2 LYS 16 -8.156 -6.415 -9.125 108 HD3 LYS 16 HD3 LYS 16 -7.520 -4.823 -9.545 109 HE2 LYS 16 HE2 LYS 16 -8.868 -4.671 -11.460 110 HE3 LYS 16 HE3 LYS 16 -9.223 -6.398 -11.452 111 HZ1 LYS 16 HZ1 LYS 16 -10.826 -4.467 -10.447 112 HZ2 LYS 16 HZ2 LYS 16 -10.055 -5.044 -9.057 113 HZ3 LYS 16 HZ3 LYS 16 -10.915 -6.109 -10.050 114 H GLY 17 H GLY 17 -2.185 -5.602 -9.281 115 HA2 GLY 17 HA2 GLY 17 -1.889 -7.317 -6.891 116 HA3 GLY 17 HA3 GLY 17 -0.521 -6.750 -7.837 117 HA PRO 18 HA PRO 18 -1.329 -3.865 -4.234 118 HB2 PRO 18 HB2 PRO 18 1.145 -4.085 -3.139 119 HB3 PRO 18 HB3 PRO 18 -0.189 -5.169 -2.725 120 HG2 PRO 18 HG2 PRO 18 2.086 -5.604 -4.621 121 HG3 PRO 18 HG3 PRO 18 1.390 -6.722 -3.434 122 HD2 PRO 18 HD2 PRO 18 0.799 -6.846 -6.073 123 HD3 PRO 18 HD3 PRO 18 -0.369 -7.288 -4.811 124 H GLY 19 H GLY 19 -0.384 -1.782 -3.908 125 HA2 GLY 19 HA2 GLY 19 1.090 -0.848 -6.268 126 HA3 GLY 19 HA3 GLY 19 0.159 0.161 -5.171 127 H CYS 20 H CYS 20 3.041 0.141 -6.181 128 HA CYS 20 HA CYS 20 4.638 -0.287 -3.837 129 HB2 CYS 20 HB2 CYS 20 5.141 0.820 -6.578 130 HB3 CYS 20 HB3 CYS 20 6.341 1.052 -5.310 131 H CYS 21 H CYS 21 5.439 1.190 -2.406 132 HA CYS 21 HA CYS 21 3.947 3.578 -2.010 133 HB2 CYS 21 HB2 CYS 21 6.196 2.199 -0.639 134 HB3 CYS 21 HB3 CYS 21 5.997 3.919 -0.318 135 H ASN 22 H ASN 22 7.037 2.839 -3.466 136 HA ASN 22 HA ASN 22 7.138 5.404 -4.732 137 HB2 ASN 22 HB2 ASN 22 9.408 5.989 -3.793 138 HB3 ASN 22 HB3 ASN 22 8.068 6.155 -2.662 139 HD21 ASN 22 HD21 ASN 22 11.133 5.054 -3.002 140 HD22 ASN 22 HD22 ASN 22 11.175 3.901 -1.717 141 H GLY 23 H GLY 23 7.833 4.980 -6.715 142 HA2 GLY 23 HA2 GLY 23 9.944 4.265 -7.913 143 HA3 GLY 23 HA3 GLY 23 9.717 2.735 -7.079 144 H LYS 24 H LYS 24 9.818 3.337 -9.958 145 HA LYS 24 HA LYS 24 7.116 2.920 -10.909 146 HB2 LYS 24 HB2 LYS 24 9.738 2.908 -12.417 147 HB3 LYS 24 HB3 LYS 24 8.136 2.910 -13.142 148 HG2 LYS 24 HG2 LYS 24 7.856 5.097 -11.702 149 HG3 LYS 24 HG3 LYS 24 9.619 5.108 -11.804 150 HD2 LYS 24 HD2 LYS 24 8.481 4.529 -14.379 151 HD3 LYS 24 HD3 LYS 24 7.781 6.012 -13.725 152 HE2 LYS 24 HE2 LYS 24 9.744 7.140 -13.823 153 HE3 LYS 24 HE3 LYS 24 10.707 5.710 -13.453 154 HZ1 LYS 24 HZ1 LYS 24 10.085 4.958 -15.786 155 HZ2 LYS 24 HZ2 LYS 24 11.214 6.210 -15.655 156 HZ3 LYS 24 HZ3 LYS 24 9.610 6.558 -16.062 157 H CYS 25 H CYS 25 6.217 1.034 -11.521 158 HA CYS 25 HA CYS 25 7.547 -1.410 -10.791 159 HB2 CYS 25 HB2 CYS 25 4.816 -0.711 -11.825 160 HB3 CYS 25 HB3 CYS 25 5.349 -2.389 -11.794 161 H ILE 26 H ILE 26 8.229 -3.055 -12.122 162 HA ILE 26 HA ILE 26 8.315 -2.441 -15.004 163 HB ILE 26 HB ILE 26 10.538 -2.166 -14.195 164 HG12 ILE 26 HG12 ILE 26 10.957 -4.922 -15.120 165 HG13 ILE 26 HG13 ILE 26 9.874 -3.984 -16.143 166 HG21 ILE 26 HG21 ILE 26 9.798 -4.325 -12.413 167 HG22 ILE 26 HG22 ILE 26 11.379 -4.588 -13.146 168 HG23 ILE 26 HG23 ILE 26 11.061 -3.106 -12.245 169 HD11 ILE 26 HD11 ILE 26 11.843 -3.465 -17.128 170 HD12 ILE 26 HD12 ILE 26 11.819 -2.200 -15.899 171 HD13 ILE 26 HD13 ILE 26 12.769 -3.662 -15.640 172 H CYS 27 H CYS 27 6.743 -3.740 -15.786 173 HA CYS 27 HA CYS 27 6.472 -6.471 -14.841 174 HB2 CYS 27 HB2 CYS 27 4.941 -4.852 -16.883 175 HB3 CYS 27 HB3 CYS 27 4.587 -6.538 -16.518 176 H ARG 28 H ARG 28 7.188 -8.251 -15.853 177 HA ARG 28 HA ARG 28 8.208 -7.994 -18.597 178 HB2 ARG 28 HB2 ARG 28 10.243 -9.038 -18.103 179 HB3 ARG 28 HB3 ARG 28 10.015 -7.918 -16.766 180 HG2 ARG 28 HG2 ARG 28 8.982 -9.911 -15.529 181 HG3 ARG 28 HG3 ARG 28 9.726 -10.898 -16.788 182 HD2 ARG 28 HD2 ARG 28 11.648 -9.020 -15.835 183 HD3 ARG 28 HD3 ARG 28 10.917 -9.833 -14.452 184 HE ARG 28 HE ARG 28 11.926 -11.795 -15.100 185 HH11 ARG 28 HH11 ARG 28 12.189 -9.439 -17.650 186 HH12 ARG 28 HH12 ARG 28 13.304 -10.381 -18.583 187 HH21 ARG 28 HH21 ARG 28 13.394 -13.045 -16.319 188 HH22 ARG 28 HH22 ARG 28 13.988 -12.432 -17.825 189 H THR 29 H THR 29 8.620 -10.188 -19.588 190 HA THR 29 HA THR 29 6.952 -12.321 -18.499 191 HB THR 29 HB THR 29 6.555 -11.574 -21.379 192 HG1 THR 29 HG1 THR 29 4.846 -10.681 -19.294 193 HG21 THR 29 HG21 THR 29 5.541 -13.593 -21.109 194 HG22 THR 29 HG22 THR 29 4.220 -12.576 -20.533 195 HG23 THR 29 HG23 THR 29 5.297 -13.362 -19.378 196 H VAL 30 H VAL 30 8.209 -14.057 -18.506 197 HA VAL 30 HA VAL 30 9.721 -14.713 -20.923 198 HB VAL 30 HB VAL 30 10.903 -14.374 -18.184 199 HG11 VAL 30 HG11 VAL 30 11.591 -16.408 -20.221 200 HG12 VAL 30 HG12 VAL 30 12.932 -15.551 -19.459 201 HG13 VAL 30 HG13 VAL 30 11.780 -16.447 -18.468 202 HG21 VAL 30 HG21 VAL 30 12.407 -12.957 -19.202 203 HG22 VAL 30 HG22 VAL 30 12.233 -13.729 -20.778 204 HG23 VAL 30 HG23 VAL 30 10.959 -12.672 -20.169 205 HA PRO 31 HA PRO 31 7.805 -18.657 -20.407 206 HB2 PRO 31 HB2 PRO 31 10.392 -19.577 -21.572 207 HB3 PRO 31 HB3 PRO 31 8.738 -19.954 -22.067 208 HG2 PRO 31 HG2 PRO 31 10.240 -18.207 -23.434 209 HG3 PRO 31 HG3 PRO 31 8.493 -17.978 -23.236 210 HD2 PRO 31 HD2 PRO 31 10.745 -16.547 -21.968 211 HD3 PRO 31 HD3 PRO 31 9.106 -15.982 -22.349 212 H ARG 32 H ARG 32 11.229 -18.232 -19.564 213 HA ARG 32 HA ARG 32 11.342 -20.508 -17.854 214 HB2 ARG 32 HB2 ARG 32 13.297 -19.331 -18.993 215 HB3 ARG 32 HB3 ARG 32 13.169 -18.114 -17.730 216 HG2 ARG 32 HG2 ARG 32 13.223 -20.695 -16.521 217 HG3 ARG 32 HG3 ARG 32 14.561 -20.560 -17.663 218 HD2 ARG 32 HD2 ARG 32 14.844 -18.202 -16.512 219 HD3 ARG 32 HD3 ARG 32 14.003 -19.005 -15.188 220 HE ARG 32 HE ARG 32 16.697 -19.491 -16.087 221 HH11 ARG 32 HH11 ARG 32 13.964 -20.761 -14.346 222 HH12 ARG 32 HH12 ARG 32 14.910 -21.868 -13.407 223 HH21 ARG 32 HH21 ARG 32 17.954 -20.945 -14.858 224 HH22 ARG 32 HH22 ARG 32 17.180 -21.971 -13.699 225 H LYS 33 H LYS 33 9.401 -20.117 -16.593 226 HA LYS 33 HA LYS 33 8.250 -19.412 -14.757 227 HB2 LYS 33 HB2 LYS 33 11.117 -19.300 -13.889 228 HB3 LYS 33 HB3 LYS 33 9.850 -18.766 -12.793 229 HG2 LYS 33 HG2 LYS 33 8.850 -20.917 -12.765 230 HG3 LYS 33 HG3 LYS 33 9.865 -21.475 -14.096 231 HD2 LYS 33 HD2 LYS 33 11.789 -21.530 -12.747 232 HD3 LYS 33 HD3 LYS 33 11.036 -20.547 -11.489 233 HE2 LYS 33 HE2 LYS 33 9.819 -23.176 -12.186 234 HE3 LYS 33 HE3 LYS 33 11.290 -23.153 -11.216 235 HZ1 LYS 33 HZ1 LYS 33 10.021 -22.755 -9.463 236 HZ2 LYS 33 HZ2 LYS 33 8.634 -22.613 -10.420 237 HZ3 LYS 33 HZ3 LYS 33 9.598 -21.255 -10.122 238 H GLY 34 H GLY 34 8.047 -17.499 -16.536 239 HA2 GLY 34 HA2 GLY 34 8.314 -15.049 -14.936 240 HA3 GLY 34 HA3 GLY 34 8.930 -15.056 -16.582 241 H VAL 35 H VAL 35 5.955 -16.341 -15.102 242 HA VAL 35 HA VAL 35 4.378 -15.434 -17.325 243 HB VAL 35 HB VAL 35 3.725 -17.489 -16.271 244 HG11 VAL 35 HG11 VAL 35 4.154 -17.725 -14.097 245 HG12 VAL 35 HG12 VAL 35 4.177 -15.980 -13.835 246 HG13 VAL 35 HG13 VAL 35 2.647 -16.858 -13.804 247 HG21 VAL 35 HG21 VAL 35 2.002 -15.465 -16.862 248 HG22 VAL 35 HG22 VAL 35 1.520 -17.118 -16.481 249 HG23 VAL 35 HG23 VAL 35 1.510 -15.884 -15.221 250 H ASN 36 H ASN 36 4.874 -13.147 -17.164 251 HA ASN 36 HA ASN 36 4.249 -11.006 -16.712 252 HB2 ASN 36 HB2 ASN 36 1.937 -12.298 -16.574 253 HB3 ASN 36 HB3 ASN 36 2.068 -11.878 -14.868 254 HD21 ASN 36 HD21 ASN 36 1.195 -10.824 -17.944 255 HD22 ASN 36 HD22 ASN 36 0.924 -9.159 -17.570 256 H SER 37 H SER 37 6.363 -11.480 -15.406 257 HA SER 37 HA SER 37 5.979 -11.263 -12.530 258 HB2 SER 37 HB2 SER 37 8.641 -11.084 -12.789 259 HB3 SER 37 HB3 SER 37 7.793 -12.630 -12.822 260 HG SER 37 HG SER 37 9.145 -12.543 -14.591 261 H CYS 38 H CYS 38 5.382 -9.288 -11.879 262 HA CYS 38 HA CYS 38 6.747 -6.952 -13.028 263 HB2 CYS 38 HB2 CYS 38 4.187 -7.101 -11.422 264 HB3 CYS 38 HB3 CYS 38 4.889 -5.631 -12.090 265 H ARG 39 H ARG 39 8.423 -6.254 -11.890 266 HA ARG 39 HA ARG 39 8.378 -6.559 -8.965 267 HB2 ARG 39 HB2 ARG 39 10.728 -6.156 -10.825 268 HB3 ARG 39 HB3 ARG 39 10.831 -6.324 -9.077 269 HG2 ARG 39 HG2 ARG 39 9.845 -8.414 -11.008 270 HG3 ARG 39 HG3 ARG 39 11.404 -8.403 -10.180 271 HD2 ARG 39 HD2 ARG 39 10.471 -9.501 -8.491 272 HD3 ARG 39 HD3 ARG 39 9.441 -8.102 -8.189 273 HE ARG 39 HE ARG 39 7.683 -9.230 -9.134 274 HH11 ARG 39 HH11 ARG 39 10.654 -10.874 -9.900 275 HH12 ARG 39 HH12 ARG 39 9.865 -12.258 -10.580 276 HH21 ARG 39 HH21 ARG 39 6.632 -11.047 -10.026 277 HH22 ARG 39 HH22 ARG 39 7.578 -12.356 -10.652 278 H CYS 40 H CYS 40 9.230 -4.824 -7.664 279 HA CYS 40 HA CYS 40 8.343 -2.250 -8.605 280 HB2 CYS 40 HB2 CYS 40 8.142 -3.291 -6.212 281 HB3 CYS 40 HB3 CYS 40 9.771 -2.659 -6.001 282 H MET 41 H MET 41 9.556 -0.549 -9.224 283 HA MET 41 HA MET 41 12.429 -0.555 -8.758 284 HB2 MET 41 HB2 MET 41 12.010 -1.758 -10.929 285 HB3 MET 41 HB3 MET 41 11.327 -0.263 -11.555 286 HG2 MET 41 HG2 MET 41 13.332 0.598 -11.965 287 HG3 MET 41 HG3 MET 41 13.944 0.137 -10.379 288 HE1 MET 41 HE1 MET 41 16.133 -2.330 -10.594 289 HE2 MET 41 HE2 MET 41 16.744 -1.157 -11.760 290 HE3 MET 41 HE3 MET 41 15.835 -0.609 -10.351 Start of MODEL 12 1 H1 CYS 1 H CYS 1 2.576 -1.721 1.229 2 HA CYS 1 HA CYS 1 1.900 -1.290 -1.526 3 HB2 CYS 1 HB2 CYS 1 3.730 0.403 -1.891 4 HB3 CYS 1 HB3 CYS 1 2.325 1.009 -1.022 5 H ALA 2 H ALA 2 3.697 -1.842 -2.978 6 HA ALA 2 HA ALA 2 5.108 -4.129 -2.017 7 HB1 ALA 2 HB1 ALA 2 6.118 -4.090 -4.341 8 HB2 ALA 2 HB2 ALA 2 4.362 -4.232 -4.250 9 HB3 ALA 2 HB3 ALA 2 5.101 -2.682 -4.652 10 H SER 3 H SER 3 7.181 -4.347 -1.391 11 HA SER 3 HA SER 3 8.685 -1.983 -0.785 12 HB2 SER 3 HB2 SER 3 8.550 -4.329 0.453 13 HB3 SER 3 HB3 SER 3 9.918 -4.696 -0.597 14 HG SER 3 HG SER 3 9.716 -2.537 1.235 15 H LYS 4 H LYS 4 11.275 -2.532 -1.194 16 HA LYS 4 HA LYS 4 11.658 -1.884 -3.917 17 HB2 LYS 4 HB2 LYS 4 13.148 -1.287 -1.931 18 HB3 LYS 4 HB3 LYS 4 13.799 -2.915 -2.063 19 HG2 LYS 4 HG2 LYS 4 15.121 -2.344 -3.752 20 HG3 LYS 4 HG3 LYS 4 13.799 -1.555 -4.616 21 HD2 LYS 4 HD2 LYS 4 14.102 0.456 -3.279 22 HD3 LYS 4 HD3 LYS 4 15.381 -0.333 -2.353 23 HE2 LYS 4 HE2 LYS 4 15.631 -0.202 -5.318 24 HE3 LYS 4 HE3 LYS 4 15.934 1.260 -4.380 25 HZ1 LYS 4 HZ1 LYS 4 17.999 0.402 -4.298 26 HZ2 LYS 4 HZ2 LYS 4 17.486 -1.191 -4.546 27 HZ3 LYS 4 HZ3 LYS 4 17.372 -0.496 -3.008 28 H ASN 5 H ASN 5 11.649 -3.184 -5.619 29 HA ASN 5 HA ASN 5 11.982 -4.993 -6.964 30 HB2 ASN 5 HB2 ASN 5 13.448 -6.400 -4.748 31 HB3 ASN 5 HB3 ASN 5 13.696 -6.523 -6.487 32 HD21 ASN 5 HD21 ASN 5 15.284 -5.654 -3.953 33 HD22 ASN 5 HD22 ASN 5 16.122 -4.247 -4.504 34 H GLU 6 H GLU 6 9.801 -4.752 -4.926 35 HA GLU 6 HA GLU 6 9.158 -7.550 -4.394 36 HB2 GLU 6 HB2 GLU 6 8.105 -4.923 -3.436 37 HB3 GLU 6 HB3 GLU 6 7.053 -6.329 -3.367 38 HG2 GLU 6 HG2 GLU 6 9.765 -6.098 -2.082 39 HG3 GLU 6 HG3 GLU 6 8.213 -5.964 -1.257 40 H ARG 7 H ARG 7 7.021 -8.384 -4.940 41 HA ARG 7 HA ARG 7 6.375 -7.849 -7.675 42 HB2 ARG 7 HB2 ARG 7 5.345 -9.734 -5.584 43 HB3 ARG 7 HB3 ARG 7 4.450 -9.514 -7.082 44 HG2 ARG 7 HG2 ARG 7 5.864 -10.789 -8.226 45 HG3 ARG 7 HG3 ARG 7 7.273 -9.966 -7.555 46 HD2 ARG 7 HD2 ARG 7 7.577 -11.520 -5.953 47 HD3 ARG 7 HD3 ARG 7 5.846 -11.722 -5.681 48 HE ARG 7 HE ARG 7 6.256 -12.891 -8.095 49 HH11 ARG 7 HH11 ARG 7 7.707 -13.260 -4.952 50 HH12 ARG 7 HH12 ARG 7 8.085 -14.935 -5.180 51 HH21 ARG 7 HH21 ARG 7 6.748 -15.096 -8.406 52 HH22 ARG 7 HH22 ARG 7 7.540 -15.979 -7.145 53 H CYS 8 H CYS 8 5.040 -6.341 -8.400 54 HA CYS 8 HA CYS 8 2.949 -5.323 -6.589 55 HB2 CYS 8 HB2 CYS 8 3.090 -3.200 -7.840 56 HB3 CYS 8 HB3 CYS 8 4.625 -3.624 -7.089 57 H GLY 9 H GLY 9 1.344 -3.962 -8.245 58 HA2 GLY 9 HA2 GLY 9 0.433 -6.005 -10.178 59 HA3 GLY 9 HA3 GLY 9 -0.668 -5.060 -9.186 60 H ASN 10 H ASN 10 -0.903 -5.191 -11.954 61 HA ASN 10 HA ASN 10 -0.852 -2.404 -12.603 62 HB2 ASN 10 HB2 ASN 10 1.503 -3.144 -13.112 63 HB3 ASN 10 HB3 ASN 10 0.832 -4.219 -14.337 64 HD21 ASN 10 HD21 ASN 10 2.667 -2.050 -14.718 65 HD22 ASN 10 HD22 ASN 10 1.898 -0.919 -15.774 66 H ALA 11 H ALA 11 -2.824 -2.189 -13.417 67 HA ALA 11 HA ALA 11 -4.359 -4.258 -14.526 68 HB1 ALA 11 HB1 ALA 11 -5.884 -2.444 -15.267 69 HB2 ALA 11 HB2 ALA 11 -5.425 -2.332 -13.568 70 HB3 ALA 11 HB3 ALA 11 -4.671 -1.270 -14.757 71 H LEU 12 H LEU 12 -2.117 -2.008 -15.964 72 HA LEU 12 HA LEU 12 -2.911 -2.186 -18.642 73 HB2 LEU 12 HB2 LEU 12 -0.102 -1.877 -17.598 74 HB3 LEU 12 HB3 LEU 12 -0.687 -1.421 -19.197 75 HG LEU 12 HG LEU 12 -1.416 -0.122 -16.573 76 HD11 LEU 12 HD11 LEU 12 0.853 0.236 -17.951 77 HD12 LEU 12 HD12 LEU 12 0.047 1.527 -17.061 78 HD13 LEU 12 HD13 LEU 12 -0.191 1.375 -18.802 79 HD21 LEU 12 HD21 LEU 12 -3.314 0.433 -17.613 80 HD22 LEU 12 HD22 LEU 12 -2.718 -0.105 -19.184 81 HD23 LEU 12 HD23 LEU 12 -2.310 1.506 -18.589 82 H TYR 13 H TYR 13 -1.363 -4.469 -16.597 83 HA TYR 13 HA TYR 13 -0.777 -6.179 -18.926 84 HB2 TYR 13 HB2 TYR 13 0.624 -5.832 -16.303 85 HB3 TYR 13 HB3 TYR 13 0.708 -7.387 -17.124 86 HD1 TYR 13 HD2 TYR 13 1.507 -3.791 -17.449 87 HD2 TYR 13 HD1 TYR 13 2.114 -7.703 -19.008 88 HE1 TYR 13 HE2 TYR 13 3.332 -2.939 -18.861 89 HE2 TYR 13 HE1 TYR 13 3.941 -6.862 -20.423 90 HH TYR 13 HH TYR 13 4.414 -4.088 -21.362 91 H GLY 14 H GLY 14 -3.264 -5.769 -17.207 92 HA2 GLY 14 HA2 GLY 14 -4.954 -7.070 -16.357 93 HA3 GLY 14 HA3 GLY 14 -4.246 -8.375 -17.297 94 H THR 15 H THR 15 -2.380 -6.800 -14.831 95 HA THR 15 HA THR 15 -2.588 -9.239 -13.191 96 HB THR 15 HB THR 15 -0.362 -8.926 -12.454 97 HG1 THR 15 HG1 THR 15 -0.165 -6.467 -13.854 98 HG21 THR 15 HG21 THR 15 -0.939 -9.290 -15.123 99 HG22 THR 15 HG22 THR 15 0.628 -9.563 -14.362 100 HG23 THR 15 HG23 THR 15 0.286 -8.023 -15.151 101 H LYS 16 H LYS 16 -3.441 -9.069 -11.227 102 HA LYS 16 HA LYS 16 -4.007 -6.406 -10.164 103 HB2 LYS 16 HB2 LYS 16 -5.543 -7.549 -8.641 104 HB3 LYS 16 HB3 LYS 16 -5.868 -7.994 -10.311 105 HG2 LYS 16 HG2 LYS 16 -4.209 -9.981 -9.673 106 HG3 LYS 16 HG3 LYS 16 -4.857 -9.633 -8.069 107 HD2 LYS 16 HD2 LYS 16 -6.790 -10.625 -8.562 108 HD3 LYS 16 HD3 LYS 16 -6.963 -9.675 -10.040 109 HE2 LYS 16 HE2 LYS 16 -5.027 -11.432 -10.769 110 HE3 LYS 16 HE3 LYS 16 -5.970 -12.416 -9.651 111 HZ1 LYS 16 HZ1 LYS 16 -6.704 -11.349 -12.259 112 HZ2 LYS 16 HZ2 LYS 16 -7.922 -11.360 -11.085 113 HZ3 LYS 16 HZ3 LYS 16 -7.152 -12.803 -11.518 114 H GLY 17 H GLY 17 -2.864 -5.542 -8.559 115 HA2 GLY 17 HA2 GLY 17 -1.869 -6.999 -6.347 116 HA3 GLY 17 HA3 GLY 17 -0.568 -6.704 -7.490 117 HA PRO 18 HA PRO 18 -1.238 -3.045 -4.569 118 HB2 PRO 18 HB2 PRO 18 1.107 -3.257 -3.218 119 HB3 PRO 18 HB3 PRO 18 -0.378 -4.063 -2.698 120 HG2 PRO 18 HG2 PRO 18 1.951 -5.177 -4.214 121 HG3 PRO 18 HG3 PRO 18 1.040 -5.899 -2.875 122 HD2 PRO 18 HD2 PRO 18 0.622 -6.587 -5.461 123 HD3 PRO 18 HD3 PRO 18 -0.677 -6.588 -4.251 124 H GLY 19 H GLY 19 0.356 -1.180 -4.302 125 HA2 GLY 19 HA2 GLY 19 1.840 -0.888 -6.831 126 HA3 GLY 19 HA3 GLY 19 1.147 0.437 -5.908 127 H CYS 20 H CYS 20 3.879 0.100 -6.874 128 HA CYS 20 HA CYS 20 5.624 -0.645 -4.795 129 HB2 CYS 20 HB2 CYS 20 6.123 1.380 -6.987 130 HB3 CYS 20 HB3 CYS 20 7.348 0.529 -6.050 131 H CYS 21 H CYS 21 6.547 0.467 -3.135 132 HA CYS 21 HA CYS 21 5.143 2.663 -2.045 133 HB2 CYS 21 HB2 CYS 21 7.879 1.591 -1.325 134 HB3 CYS 21 HB3 CYS 21 6.923 2.693 -0.340 135 H ASN 22 H ASN 22 8.335 2.424 -3.590 136 HA ASN 22 HA ASN 22 8.112 5.154 -4.515 137 HB2 ASN 22 HB2 ASN 22 10.369 4.352 -2.664 138 HB3 ASN 22 HB3 ASN 22 10.241 5.887 -3.518 139 HD21 ASN 22 HD21 ASN 22 8.538 7.322 -2.943 140 HD22 ASN 22 HD22 ASN 22 7.840 7.263 -1.364 141 H GLY 23 H GLY 23 8.358 4.579 -6.613 142 HA2 GLY 23 HA2 GLY 23 10.736 4.353 -7.864 143 HA3 GLY 23 HA3 GLY 23 10.398 2.688 -7.417 144 H LYS 24 H LYS 24 9.749 1.630 -9.167 145 HA LYS 24 HA LYS 24 7.391 2.514 -10.575 146 HB2 LYS 24 HB2 LYS 24 9.202 3.710 -11.764 147 HB3 LYS 24 HB3 LYS 24 9.988 2.170 -12.086 148 HG2 LYS 24 HG2 LYS 24 8.560 1.631 -13.745 149 HG3 LYS 24 HG3 LYS 24 7.179 2.393 -12.952 150 HD2 LYS 24 HD2 LYS 24 7.414 3.957 -14.551 151 HD3 LYS 24 HD3 LYS 24 8.720 4.557 -13.526 152 HE2 LYS 24 HE2 LYS 24 10.344 3.296 -14.803 153 HE3 LYS 24 HE3 LYS 24 9.062 2.574 -15.774 154 HZ1 LYS 24 HZ1 LYS 24 9.648 5.483 -15.671 155 HZ2 LYS 24 HZ2 LYS 24 8.544 4.708 -16.692 156 HZ3 LYS 24 HZ3 LYS 24 10.203 4.439 -16.882 157 H CYS 25 H CYS 25 6.347 0.856 -11.675 158 HA CYS 25 HA CYS 25 7.167 -1.811 -10.894 159 HB2 CYS 25 HB2 CYS 25 4.694 -0.601 -12.066 160 HB3 CYS 25 HB3 CYS 25 4.950 -2.336 -12.215 161 H ILE 26 H ILE 26 8.361 -3.093 -12.123 162 HA ILE 26 HA ILE 26 8.615 -2.486 -14.981 163 HB ILE 26 HB ILE 26 10.346 -4.181 -13.179 164 HG12 ILE 26 HG12 ILE 26 10.571 -1.767 -12.805 165 HG13 ILE 26 HG13 ILE 26 12.023 -2.424 -13.553 166 HG21 ILE 26 HG21 ILE 26 11.867 -3.966 -15.309 167 HG22 ILE 26 HG22 ILE 26 10.653 -5.239 -15.187 168 HG23 ILE 26 HG23 ILE 26 10.316 -3.787 -16.130 169 HD11 ILE 26 HD11 ILE 26 11.861 -0.831 -15.076 170 HD12 ILE 26 HD12 ILE 26 10.396 -1.614 -15.669 171 HD13 ILE 26 HD13 ILE 26 10.284 -0.334 -14.462 172 H CYS 27 H CYS 27 6.759 -3.474 -15.777 173 HA CYS 27 HA CYS 27 6.230 -6.259 -15.192 174 HB2 CYS 27 HB2 CYS 27 4.893 -4.325 -17.097 175 HB3 CYS 27 HB3 CYS 27 4.335 -5.964 -16.778 176 H ARG 28 H ARG 28 7.199 -7.871 -16.211 177 HA ARG 28 HA ARG 28 7.829 -7.594 -19.059 178 HB2 ARG 28 HB2 ARG 28 10.046 -8.534 -18.769 179 HB3 ARG 28 HB3 ARG 28 9.889 -7.079 -17.793 180 HG2 ARG 28 HG2 ARG 28 9.227 -8.798 -15.919 181 HG3 ARG 28 HG3 ARG 28 10.124 -9.918 -16.946 182 HD2 ARG 28 HD2 ARG 28 11.900 -7.966 -16.924 183 HD3 ARG 28 HD3 ARG 28 11.079 -7.547 -15.421 184 HE ARG 28 HE ARG 28 11.737 -10.305 -15.482 185 HH11 ARG 28 HH11 ARG 28 13.122 -7.144 -15.025 186 HH12 ARG 28 HH12 ARG 28 14.415 -7.713 -14.022 187 HH21 ARG 28 HH21 ARG 28 13.435 -11.066 -14.163 188 HH22 ARG 28 HH22 ARG 28 14.593 -9.944 -13.533 189 H THR 29 H THR 29 8.099 -9.624 -20.165 190 HA THR 29 HA THR 29 6.438 -11.711 -18.989 191 HB THR 29 HB THR 29 5.791 -11.165 -21.207 192 HG1 THR 29 HG1 THR 29 7.371 -13.469 -21.649 193 HG21 THR 29 HG21 THR 29 7.925 -11.825 -22.882 194 HG22 THR 29 HG22 THR 29 8.633 -10.831 -21.609 195 HG23 THR 29 HG23 THR 29 7.285 -10.213 -22.564 196 H VAL 30 H VAL 30 7.571 -13.012 -17.664 197 HA VAL 30 HA VAL 30 10.208 -13.968 -18.528 198 HB VAL 30 HB VAL 30 8.858 -13.825 -15.854 199 HG11 VAL 30 HG11 VAL 30 11.076 -15.083 -15.146 200 HG12 VAL 30 HG12 VAL 30 9.604 -15.963 -15.563 201 HG13 VAL 30 HG13 VAL 30 10.897 -15.792 -16.751 202 HG21 VAL 30 HG21 VAL 30 11.152 -12.597 -17.203 203 HG22 VAL 30 HG22 VAL 30 10.151 -11.989 -15.885 204 HG23 VAL 30 HG23 VAL 30 11.469 -13.111 -15.546 205 HA PRO 31 HA PRO 31 8.108 -17.632 -20.068 206 HB2 PRO 31 HB2 PRO 31 10.952 -18.526 -19.967 207 HB3 PRO 31 HB3 PRO 31 9.774 -18.667 -21.277 208 HG2 PRO 31 HG2 PRO 31 11.718 -16.823 -21.339 209 HG3 PRO 31 HG3 PRO 31 10.100 -16.493 -21.985 210 HD2 PRO 31 HD2 PRO 31 11.386 -15.516 -19.511 211 HD3 PRO 31 HD3 PRO 31 10.143 -14.756 -20.526 212 H ARG 32 H ARG 32 10.680 -17.698 -17.613 213 HA ARG 32 HA ARG 32 10.035 -20.244 -16.573 214 HB2 ARG 32 HB2 ARG 32 12.166 -18.785 -16.249 215 HB3 ARG 32 HB3 ARG 32 11.274 -18.074 -14.911 216 HG2 ARG 32 HG2 ARG 32 11.163 -20.139 -13.764 217 HG3 ARG 32 HG3 ARG 32 11.725 -21.031 -15.179 218 HD2 ARG 32 HD2 ARG 32 13.727 -20.911 -14.162 219 HD3 ARG 32 HD3 ARG 32 13.762 -19.283 -14.838 220 HE ARG 32 HE ARG 32 12.509 -18.983 -12.438 221 HH11 ARG 32 HH11 ARG 32 15.550 -20.337 -13.458 222 HH12 ARG 32 HH12 ARG 32 16.368 -19.948 -11.981 223 HH21 ARG 32 HH21 ARG 32 13.574 -18.466 -10.489 224 HH22 ARG 32 HH22 ARG 32 15.242 -18.885 -10.292 225 H LYS 33 H LYS 33 7.748 -20.217 -16.359 226 HA LYS 33 HA LYS 33 5.720 -19.727 -15.384 227 HB2 LYS 33 HB2 LYS 33 5.727 -20.188 -12.978 228 HB3 LYS 33 HB3 LYS 33 6.735 -21.338 -13.847 229 HG2 LYS 33 HG2 LYS 33 8.716 -20.369 -13.060 230 HG3 LYS 33 HG3 LYS 33 7.890 -18.898 -12.540 231 HD2 LYS 33 HD2 LYS 33 6.816 -21.287 -11.275 232 HD3 LYS 33 HD3 LYS 33 8.537 -21.065 -10.948 233 HE2 LYS 33 HE2 LYS 33 6.381 -18.997 -10.520 234 HE3 LYS 33 HE3 LYS 33 7.131 -19.974 -9.258 235 HZ1 LYS 33 HZ1 LYS 33 8.095 -17.600 -10.537 236 HZ2 LYS 33 HZ2 LYS 33 9.242 -18.842 -10.547 237 HZ3 LYS 33 HZ3 LYS 33 8.581 -18.314 -9.082 238 H GLY 34 H GLY 34 6.797 -17.362 -16.250 239 HA2 GLY 34 HA2 GLY 34 5.991 -15.525 -14.085 240 HA3 GLY 34 HA3 GLY 34 7.394 -15.184 -15.088 241 H VAL 35 H VAL 35 3.889 -15.659 -15.180 242 HA VAL 35 HA VAL 35 3.624 -14.611 -17.837 243 HB VAL 35 HB VAL 35 1.967 -16.177 -17.108 244 HG11 VAL 35 HG11 VAL 35 2.055 -14.617 -14.673 245 HG12 VAL 35 HG12 VAL 35 0.397 -14.892 -15.212 246 HG13 VAL 35 HG13 VAL 35 1.476 -16.261 -14.938 247 HG21 VAL 35 HG21 VAL 35 0.249 -13.801 -16.956 248 HG22 VAL 35 HG22 VAL 35 1.376 -13.815 -18.312 249 HG23 VAL 35 HG23 VAL 35 0.234 -15.142 -18.101 250 H ASN 36 H ASN 36 4.718 -12.585 -17.633 251 HA ASN 36 HA ASN 36 4.693 -10.308 -17.541 252 HB2 ASN 36 HB2 ASN 36 1.924 -10.393 -16.363 253 HB3 ASN 36 HB3 ASN 36 2.652 -9.143 -17.368 254 HD21 ASN 36 HD21 ASN 36 0.147 -10.487 -17.759 255 HD22 ASN 36 HD22 ASN 36 0.241 -11.290 -19.286 256 H SER 37 H SER 37 6.186 -11.144 -15.703 257 HA SER 37 HA SER 37 5.270 -10.658 -13.021 258 HB2 SER 37 HB2 SER 37 7.866 -11.450 -14.280 259 HB3 SER 37 HB3 SER 37 7.878 -10.822 -12.632 260 HG SER 37 HG SER 37 6.205 -12.459 -12.219 261 H CYS 38 H CYS 38 5.013 -8.706 -12.187 262 HA CYS 38 HA CYS 38 6.566 -6.468 -13.278 263 HB2 CYS 38 HB2 CYS 38 4.060 -6.464 -11.583 264 HB3 CYS 38 HB3 CYS 38 4.869 -5.028 -12.201 265 H ARG 39 H ARG 39 8.439 -6.294 -12.196 266 HA ARG 39 HA ARG 39 8.424 -6.562 -9.276 267 HB2 ARG 39 HB2 ARG 39 10.806 -6.329 -11.120 268 HB3 ARG 39 HB3 ARG 39 10.824 -6.778 -9.420 269 HG2 ARG 39 HG2 ARG 39 9.095 -8.527 -10.914 270 HG3 ARG 39 HG3 ARG 39 10.712 -8.481 -11.620 271 HD2 ARG 39 HD2 ARG 39 9.983 -9.126 -8.768 272 HD3 ARG 39 HD3 ARG 39 10.628 -10.234 -9.978 273 HE ARG 39 HE ARG 39 12.370 -8.026 -9.524 274 HH11 ARG 39 HH11 ARG 39 11.350 -11.096 -8.238 275 HH12 ARG 39 HH12 ARG 39 12.841 -11.390 -7.406 276 HH21 ARG 39 HH21 ARG 39 14.338 -8.402 -8.433 277 HH22 ARG 39 HH22 ARG 39 14.539 -9.857 -7.517 278 H CYS 40 H CYS 40 8.955 -4.910 -7.924 279 HA CYS 40 HA CYS 40 8.708 -2.247 -8.930 280 HB2 CYS 40 HB2 CYS 40 9.144 -3.451 -6.216 281 HB3 CYS 40 HB3 CYS 40 9.321 -1.715 -6.450 282 H MET 41 H MET 41 10.345 -1.421 -10.081 283 HA MET 41 HA MET 41 13.100 -1.940 -9.273 284 HB2 MET 41 HB2 MET 41 12.552 -2.171 -11.642 285 HB3 MET 41 HB3 MET 41 11.980 -0.509 -11.689 286 HG2 MET 41 HG2 MET 41 14.111 -0.439 -12.631 287 HG3 MET 41 HG3 MET 41 14.324 0.159 -10.987 288 HE1 MET 41 HE1 MET 41 17.505 -1.028 -10.965 289 HE2 MET 41 HE2 MET 41 16.236 -0.003 -10.294 290 HE3 MET 41 HE3 MET 41 16.742 -1.459 -9.435 Start of MODEL 13 1 H1 CYS 1 H CYS 1 1.992 -0.554 1.427 2 HA CYS 1 HA CYS 1 1.220 -1.032 -1.369 3 HB2 CYS 1 HB2 CYS 1 2.831 0.839 -1.976 4 HB3 CYS 1 HB3 CYS 1 1.310 1.335 -1.243 5 H ALA 2 H ALA 2 3.002 -1.612 -2.773 6 HA ALA 2 HA ALA 2 4.792 -3.449 -1.517 7 HB1 ALA 2 HB1 ALA 2 3.888 -3.990 -3.673 8 HB2 ALA 2 HB2 ALA 2 4.572 -2.525 -4.377 9 HB3 ALA 2 HB3 ALA 2 5.637 -3.817 -3.823 10 H SER 3 H SER 3 7.012 -3.356 -1.309 11 HA SER 3 HA SER 3 8.145 -0.656 -1.391 12 HB2 SER 3 HB2 SER 3 8.171 -2.323 0.668 13 HB3 SER 3 HB3 SER 3 9.594 -2.960 -0.155 14 HG SER 3 HG SER 3 9.567 -0.940 1.432 15 H LYS 4 H LYS 4 10.760 -0.977 -1.599 16 HA LYS 4 HA LYS 4 11.201 -1.420 -4.338 17 HB2 LYS 4 HB2 LYS 4 12.568 0.056 -2.837 18 HB3 LYS 4 HB3 LYS 4 13.291 -1.395 -2.155 19 HG2 LYS 4 HG2 LYS 4 14.003 -1.978 -4.517 20 HG3 LYS 4 HG3 LYS 4 13.544 -0.329 -4.950 21 HD2 LYS 4 HD2 LYS 4 15.065 0.258 -2.867 22 HD3 LYS 4 HD3 LYS 4 15.793 -1.302 -3.260 23 HE2 LYS 4 HE2 LYS 4 15.778 -0.293 -5.701 24 HE3 LYS 4 HE3 LYS 4 15.756 1.234 -4.819 25 HZ1 LYS 4 HZ1 LYS 4 17.704 -0.768 -3.974 26 HZ2 LYS 4 HZ2 LYS 4 17.841 0.916 -4.031 27 HZ3 LYS 4 HZ3 LYS 4 17.992 0.008 -5.450 28 H ASN 5 H ASN 5 11.894 -3.140 -5.487 29 HA ASN 5 HA ASN 5 12.551 -5.260 -6.008 30 HB2 ASN 5 HB2 ASN 5 14.235 -4.701 -4.058 31 HB3 ASN 5 HB3 ASN 5 13.265 -5.870 -3.166 32 HD21 ASN 5 HD21 ASN 5 15.059 -7.249 -3.038 33 HD22 ASN 5 HD22 ASN 5 15.568 -8.193 -4.393 34 H GLU 6 H GLU 6 9.980 -4.431 -4.369 35 HA GLU 6 HA GLU 6 9.109 -7.138 -3.649 36 HB2 GLU 6 HB2 GLU 6 7.713 -4.511 -3.123 37 HB3 GLU 6 HB3 GLU 6 7.278 -6.082 -2.465 38 HG2 GLU 6 HG2 GLU 6 9.956 -4.848 -1.941 39 HG3 GLU 6 HG3 GLU 6 8.544 -4.461 -0.959 40 H ARG 7 H ARG 7 7.256 -8.064 -4.521 41 HA ARG 7 HA ARG 7 6.722 -7.445 -7.233 42 HB2 ARG 7 HB2 ARG 7 4.975 -9.160 -5.478 43 HB3 ARG 7 HB3 ARG 7 5.233 -9.289 -7.212 44 HG2 ARG 7 HG2 ARG 7 7.723 -9.717 -6.468 45 HG3 ARG 7 HG3 ARG 7 6.941 -10.208 -4.964 46 HD2 ARG 7 HD2 ARG 7 6.147 -11.269 -7.667 47 HD3 ARG 7 HD3 ARG 7 7.349 -12.047 -6.638 48 HE ARG 7 HE ARG 7 5.203 -11.805 -5.009 49 HH11 ARG 7 HH11 ARG 7 5.650 -13.120 -8.202 50 HH12 ARG 7 HH12 ARG 7 4.397 -14.304 -8.031 51 HH21 ARG 7 HH21 ARG 7 3.550 -13.359 -4.773 52 HH22 ARG 7 HH22 ARG 7 3.202 -14.438 -6.081 53 H CYS 8 H CYS 8 5.228 -6.177 -8.144 54 HA CYS 8 HA CYS 8 3.079 -5.110 -6.435 55 HB2 CYS 8 HB2 CYS 8 3.303 -3.013 -7.916 56 HB3 CYS 8 HB3 CYS 8 4.518 -3.271 -6.668 57 H GLY 9 H GLY 9 1.336 -4.024 -7.876 58 HA2 GLY 9 HA2 GLY 9 0.683 -5.965 -9.991 59 HA3 GLY 9 HA3 GLY 9 -0.486 -5.014 -9.088 60 H ASN 10 H ASN 10 -0.696 -5.099 -11.789 61 HA ASN 10 HA ASN 10 -0.458 -2.332 -12.478 62 HB2 ASN 10 HB2 ASN 10 1.840 -3.223 -12.978 63 HB3 ASN 10 HB3 ASN 10 1.105 -4.286 -14.175 64 HD21 ASN 10 HD21 ASN 10 3.056 -2.125 -14.484 65 HD22 ASN 10 HD22 ASN 10 2.361 -1.022 -15.618 66 H ALA 11 H ALA 11 -2.461 -2.052 -13.211 67 HA ALA 11 HA ALA 11 -4.100 -4.022 -14.331 68 HB1 ALA 11 HB1 ALA 11 -5.124 -2.106 -13.388 69 HB2 ALA 11 HB2 ALA 11 -4.237 -1.019 -14.457 70 HB3 ALA 11 HB3 ALA 11 -5.490 -2.072 -15.113 71 H LEU 12 H LEU 12 -1.869 -1.752 -15.817 72 HA LEU 12 HA LEU 12 -2.690 -2.012 -18.482 73 HB2 LEU 12 HB2 LEU 12 0.144 -1.614 -17.549 74 HB3 LEU 12 HB3 LEU 12 -0.561 -1.116 -19.086 75 HG LEU 12 HG LEU 12 -1.152 0.057 -16.370 76 HD11 LEU 12 HD11 LEU 12 0.358 1.062 -18.771 77 HD12 LEU 12 HD12 LEU 12 0.964 0.814 -17.134 78 HD13 LEU 12 HD13 LEU 12 -0.192 2.106 -17.459 79 HD21 LEU 12 HD21 LEU 12 -2.372 0.533 -19.073 80 HD22 LEU 12 HD22 LEU 12 -2.410 1.751 -17.798 81 HD23 LEU 12 HD23 LEU 12 -3.180 0.184 -17.545 82 H TYR 13 H TYR 13 -0.988 -4.176 -16.414 83 HA TYR 13 HA TYR 13 -0.274 -5.876 -18.707 84 HB2 TYR 13 HB2 TYR 13 0.933 -5.447 -16.024 85 HB3 TYR 13 HB3 TYR 13 1.011 -7.077 -16.685 86 HD1 TYR 13 HD1 TYR 13 1.873 -3.540 -17.427 87 HD2 TYR 13 HD2 TYR 13 2.623 -7.637 -18.296 88 HE1 TYR 13 HE1 TYR 13 3.821 -2.890 -18.780 89 HE2 TYR 13 HE2 TYR 13 4.574 -6.999 -19.650 90 HH TYR 13 HH TYR 13 6.208 -4.851 -19.627 91 H GLY 14 H GLY 14 -2.886 -5.516 -17.097 92 HA2 GLY 14 HA2 GLY 14 -4.617 -6.859 -16.416 93 HA3 GLY 14 HA3 GLY 14 -3.849 -8.121 -17.368 94 H THR 15 H THR 15 -2.161 -6.634 -14.718 95 HA THR 15 HA THR 15 -2.482 -9.130 -13.182 96 HB THR 15 HB THR 15 -0.277 -8.864 -12.305 97 HG1 THR 15 HG1 THR 15 0.125 -6.495 -13.796 98 HG21 THR 15 HG21 THR 15 0.263 -8.076 -15.122 99 HG22 THR 15 HG22 THR 15 -0.698 -9.527 -14.841 100 HG23 THR 15 HG23 THR 15 0.929 -9.404 -14.172 101 H LYS 16 H LYS 16 -3.418 -8.980 -11.255 102 HA LYS 16 HA LYS 16 -3.925 -6.328 -10.137 103 HB2 LYS 16 HB2 LYS 16 -5.524 -7.526 -8.657 104 HB3 LYS 16 HB3 LYS 16 -5.870 -7.735 -10.369 105 HG2 LYS 16 HG2 LYS 16 -4.168 -9.850 -9.630 106 HG3 LYS 16 HG3 LYS 16 -5.396 -9.715 -8.369 107 HD2 LYS 16 HD2 LYS 16 -6.560 -11.032 -9.802 108 HD3 LYS 16 HD3 LYS 16 -6.965 -9.473 -10.524 109 HE2 LYS 16 HE2 LYS 16 -5.623 -9.810 -12.336 110 HE3 LYS 16 HE3 LYS 16 -4.475 -10.802 -11.438 111 HZ1 LYS 16 HZ1 LYS 16 -6.974 -11.583 -12.755 112 HZ2 LYS 16 HZ2 LYS 16 -6.495 -12.439 -11.377 113 HZ3 LYS 16 HZ3 LYS 16 -5.478 -12.373 -12.727 114 H GLY 17 H GLY 17 -2.512 -5.568 -8.710 115 HA2 GLY 17 HA2 GLY 17 -1.754 -7.157 -6.426 116 HA3 GLY 17 HA3 GLY 17 -0.416 -6.813 -7.513 117 HA PRO 18 HA PRO 18 -1.082 -3.326 -4.406 118 HB2 PRO 18 HB2 PRO 18 1.285 -3.599 -3.105 119 HB3 PRO 18 HB3 PRO 18 -0.184 -4.450 -2.614 120 HG2 PRO 18 HG2 PRO 18 2.131 -5.445 -4.230 121 HG3 PRO 18 HG3 PRO 18 1.246 -6.257 -2.925 122 HD2 PRO 18 HD2 PRO 18 0.795 -6.788 -5.542 123 HD3 PRO 18 HD3 PRO 18 -0.486 -6.877 -4.315 124 H GLY 19 H GLY 19 -0.281 -1.299 -4.748 125 HA2 GLY 19 HA2 GLY 19 1.560 -0.984 -6.971 126 HA3 GLY 19 HA3 GLY 19 0.653 0.294 -6.176 127 H CYS 20 H CYS 20 3.518 0.089 -6.934 128 HA CYS 20 HA CYS 20 5.113 -0.258 -4.639 129 HB2 CYS 20 HB2 CYS 20 5.600 1.417 -7.110 130 HB3 CYS 20 HB3 CYS 20 6.822 1.037 -5.902 131 H CYS 21 H CYS 21 5.549 1.019 -2.950 132 HA CYS 21 HA CYS 21 3.981 3.172 -2.233 133 HB2 CYS 21 HB2 CYS 21 6.810 2.542 -1.367 134 HB3 CYS 21 HB3 CYS 21 5.750 3.690 -0.557 135 H ASN 22 H ASN 22 7.204 3.226 -3.727 136 HA ASN 22 HA ASN 22 6.616 5.741 -5.003 137 HB2 ASN 22 HB2 ASN 22 7.348 6.549 -2.821 138 HB3 ASN 22 HB3 ASN 22 8.815 5.580 -2.930 139 HD21 ASN 22 HD21 ASN 22 10.539 6.684 -3.468 140 HD22 ASN 22 HD22 ASN 22 10.583 8.095 -4.463 141 H GLY 23 H GLY 23 7.257 5.328 -7.011 142 HA2 GLY 23 HA2 GLY 23 9.703 5.187 -8.040 143 HA3 GLY 23 HA3 GLY 23 9.501 3.530 -7.489 144 H LYS 24 H LYS 24 8.996 2.225 -9.104 145 HA LYS 24 HA LYS 24 6.731 2.740 -10.780 146 HB2 LYS 24 HB2 LYS 24 7.783 2.925 -12.884 147 HB3 LYS 24 HB3 LYS 24 8.639 4.054 -11.842 148 HG2 LYS 24 HG2 LYS 24 10.417 2.378 -11.531 149 HG3 LYS 24 HG3 LYS 24 9.570 1.306 -12.648 150 HD2 LYS 24 HD2 LYS 24 10.800 2.273 -14.248 151 HD3 LYS 24 HD3 LYS 24 9.722 3.658 -14.060 152 HE2 LYS 24 HE2 LYS 24 11.648 4.772 -13.700 153 HE3 LYS 24 HE3 LYS 24 11.473 4.135 -12.065 154 HZ1 LYS 24 HZ1 LYS 24 12.835 2.424 -13.986 155 HZ2 LYS 24 HZ2 LYS 24 13.164 2.690 -12.349 156 HZ3 LYS 24 HZ3 LYS 24 13.666 3.818 -13.506 157 H CYS 25 H CYS 25 5.854 0.873 -11.493 158 HA CYS 25 HA CYS 25 7.043 -1.595 -10.611 159 HB2 CYS 25 HB2 CYS 25 4.498 -0.843 -10.765 160 HB3 CYS 25 HB3 CYS 25 4.631 -1.564 -12.366 161 H ILE 26 H ILE 26 8.217 -2.980 -11.770 162 HA ILE 26 HA ILE 26 8.499 -2.474 -14.652 163 HB ILE 26 HB ILE 26 10.354 -3.938 -12.771 164 HG12 ILE 26 HG12 ILE 26 10.363 -1.520 -12.412 165 HG13 ILE 26 HG13 ILE 26 11.867 -2.031 -13.171 166 HG21 ILE 26 HG21 ILE 26 10.620 -3.316 -15.709 167 HG22 ILE 26 HG22 ILE 26 11.914 -3.946 -14.690 168 HG23 ILE 26 HG23 ILE 26 10.466 -4.912 -14.975 169 HD11 ILE 26 HD11 ILE 26 11.045 0.035 -14.139 170 HD12 ILE 26 HD12 ILE 26 11.036 -1.265 -15.331 171 HD13 ILE 26 HD13 ILE 26 9.529 -0.755 -14.570 172 H CYS 27 H CYS 27 6.823 -3.677 -15.483 173 HA CYS 27 HA CYS 27 6.430 -6.425 -14.684 174 HB2 CYS 27 HB2 CYS 27 5.123 -4.650 -16.741 175 HB3 CYS 27 HB3 CYS 27 4.732 -6.360 -16.595 176 H ARG 28 H ARG 28 7.327 -8.160 -15.585 177 HA ARG 28 HA ARG 28 8.366 -7.992 -18.318 178 HB2 ARG 28 HB2 ARG 28 10.001 -9.261 -16.132 179 HB3 ARG 28 HB3 ARG 28 10.502 -8.833 -17.762 180 HG2 ARG 28 HG2 ARG 28 9.853 -6.401 -16.870 181 HG3 ARG 28 HG3 ARG 28 10.294 -7.161 -15.339 182 HD2 ARG 28 HD2 ARG 28 12.468 -7.124 -15.840 183 HD3 ARG 28 HD3 ARG 28 12.183 -7.772 -17.455 184 HE ARG 28 HE ARG 28 11.480 -5.002 -17.200 185 HH11 ARG 28 HH11 ARG 28 14.077 -7.241 -17.799 186 HH12 ARG 28 HH12 ARG 28 15.038 -6.095 -18.674 187 HH21 ARG 28 HH21 ARG 28 12.734 -3.484 -18.350 188 HH22 ARG 28 HH22 ARG 28 14.273 -3.958 -18.986 189 H THR 29 H THR 29 8.072 -9.808 -19.492 190 HA THR 29 HA THR 29 6.650 -12.006 -18.197 191 HB THR 29 HB THR 29 7.136 -11.909 -21.148 192 HG1 THR 29 HG1 THR 29 5.444 -10.453 -21.392 193 HG21 THR 29 HG21 THR 29 5.632 -13.551 -21.121 194 HG22 THR 29 HG22 THR 29 4.456 -12.488 -20.346 195 HG23 THR 29 HG23 THR 29 5.565 -13.442 -19.362 196 H VAL 30 H VAL 30 7.445 -14.020 -17.973 197 HA VAL 30 HA VAL 30 9.872 -14.788 -19.407 198 HB VAL 30 HB VAL 30 9.666 -14.438 -16.456 199 HG11 VAL 30 HG11 VAL 30 11.682 -16.062 -16.344 200 HG12 VAL 30 HG12 VAL 30 10.045 -16.723 -16.354 201 HG13 VAL 30 HG13 VAL 30 11.010 -16.731 -17.831 202 HG21 VAL 30 HG21 VAL 30 11.003 -13.057 -18.244 203 HG22 VAL 30 HG22 VAL 30 11.701 -13.393 -16.660 204 HG23 VAL 30 HG23 VAL 30 12.179 -14.358 -18.056 205 HA PRO 31 HA PRO 31 7.205 -18.341 -19.992 206 HB2 PRO 31 HB2 PRO 31 9.865 -19.442 -20.775 207 HB3 PRO 31 HB3 PRO 31 8.319 -19.522 -21.627 208 HG2 PRO 31 HG2 PRO 31 10.251 -17.831 -22.394 209 HG3 PRO 31 HG3 PRO 31 8.535 -17.394 -22.498 210 HD2 PRO 31 HD2 PRO 31 10.615 -16.464 -20.617 211 HD3 PRO 31 HD3 PRO 31 9.161 -15.635 -21.209 212 H ARG 32 H ARG 32 10.422 -18.535 -18.487 213 HA ARG 32 HA ARG 32 9.933 -20.999 -17.161 214 HB2 ARG 32 HB2 ARG 32 11.983 -18.825 -16.745 215 HB3 ARG 32 HB3 ARG 32 11.947 -20.293 -15.778 216 HG2 ARG 32 HG2 ARG 32 11.858 -21.224 -18.376 217 HG3 ARG 32 HG3 ARG 32 12.968 -19.854 -18.452 218 HD2 ARG 32 HD2 ARG 32 13.244 -21.851 -16.250 219 HD3 ARG 32 HD3 ARG 32 13.846 -22.248 -17.859 220 HE ARG 32 HE ARG 32 14.788 -19.706 -17.071 221 HH11 ARG 32 HH11 ARG 32 15.232 -23.098 -16.427 222 HH12 ARG 32 HH12 ARG 32 16.884 -22.923 -15.937 223 HH21 ARG 32 HH21 ARG 32 16.963 -19.462 -16.428 224 HH22 ARG 32 HH22 ARG 32 17.868 -20.853 -15.936 225 H LYS 33 H LYS 33 7.851 -20.602 -16.209 226 HA LYS 33 HA LYS 33 6.404 -19.979 -14.557 227 HB2 LYS 33 HB2 LYS 33 9.019 -20.359 -13.128 228 HB3 LYS 33 HB3 LYS 33 7.578 -19.879 -12.241 229 HG2 LYS 33 HG2 LYS 33 6.458 -21.882 -12.776 230 HG3 LYS 33 HG3 LYS 33 7.650 -22.306 -14.007 231 HD2 LYS 33 HD2 LYS 33 9.194 -22.046 -11.759 232 HD3 LYS 33 HD3 LYS 33 7.700 -22.729 -11.113 233 HE2 LYS 33 HE2 LYS 33 8.610 -24.695 -11.709 234 HE3 LYS 33 HE3 LYS 33 8.062 -24.257 -13.327 235 HZ1 LYS 33 HZ1 LYS 33 10.773 -24.140 -12.193 236 HZ2 LYS 33 HZ2 LYS 33 10.354 -23.091 -13.452 237 HZ3 LYS 33 HZ3 LYS 33 10.259 -24.764 -13.679 238 H GLY 34 H GLY 34 6.878 -17.815 -16.017 239 HA2 GLY 34 HA2 GLY 34 7.068 -15.684 -13.994 240 HA3 GLY 34 HA3 GLY 34 7.965 -15.542 -15.499 241 H VAL 35 H VAL 35 4.649 -16.154 -14.345 242 HA VAL 35 HA VAL 35 3.478 -15.161 -16.768 243 HB VAL 35 HB VAL 35 2.265 -16.844 -15.571 244 HG11 VAL 35 HG11 VAL 35 2.448 -16.942 -13.357 245 HG12 VAL 35 HG12 VAL 35 3.013 -15.273 -13.272 246 HG13 VAL 35 HG13 VAL 35 1.284 -15.621 -13.265 247 HG21 VAL 35 HG21 VAL 35 0.207 -15.965 -15.891 248 HG22 VAL 35 HG22 VAL 35 0.535 -14.551 -14.889 249 HG23 VAL 35 HG23 VAL 35 1.129 -14.613 -16.548 250 H ASN 36 H ASN 36 4.471 -13.058 -16.854 251 HA ASN 36 HA ASN 36 4.402 -10.791 -16.670 252 HB2 ASN 36 HB2 ASN 36 1.863 -11.216 -15.083 253 HB3 ASN 36 HB3 ASN 36 2.366 -9.735 -15.893 254 HD21 ASN 36 HD21 ASN 36 1.287 -9.376 -17.677 255 HD22 ASN 36 HD22 ASN 36 0.711 -10.570 -18.785 256 H SER 37 H SER 37 6.260 -11.550 -15.158 257 HA SER 37 HA SER 37 5.838 -11.114 -12.345 258 HB2 SER 37 HB2 SER 37 8.138 -11.862 -14.080 259 HB3 SER 37 HB3 SER 37 8.508 -11.117 -12.525 260 HG SER 37 HG SER 37 6.827 -12.812 -11.800 261 H CYS 38 H CYS 38 5.303 -9.080 -11.796 262 HA CYS 38 HA CYS 38 6.887 -6.866 -12.901 263 HB2 CYS 38 HB2 CYS 38 4.310 -6.675 -11.336 264 HB3 CYS 38 HB3 CYS 38 5.090 -5.402 -12.268 265 H ARG 39 H ARG 39 8.574 -6.335 -11.683 266 HA ARG 39 HA ARG 39 8.358 -6.575 -8.764 267 HB2 ARG 39 HB2 ARG 39 10.283 -7.577 -10.319 268 HB3 ARG 39 HB3 ARG 39 10.957 -5.971 -10.079 269 HG2 ARG 39 HG2 ARG 39 11.915 -7.045 -8.324 270 HG3 ARG 39 HG3 ARG 39 10.421 -6.513 -7.550 271 HD2 ARG 39 HD2 ARG 39 11.215 -9.237 -8.483 272 HD3 ARG 39 HD3 ARG 39 10.520 -8.740 -6.940 273 HE ARG 39 HE ARG 39 8.387 -8.667 -7.958 274 HH11 ARG 39 HH11 ARG 39 10.896 -9.808 -10.084 275 HH12 ARG 39 HH12 ARG 39 9.794 -10.531 -11.209 276 HH21 ARG 39 HH21 ARG 39 6.926 -9.613 -9.432 277 HH22 ARG 39 HH22 ARG 39 7.536 -10.418 -10.838 278 H CYS 40 H CYS 40 9.124 -4.875 -7.413 279 HA CYS 40 HA CYS 40 8.462 -2.264 -8.428 280 HB2 CYS 40 HB2 CYS 40 9.031 -3.454 -5.764 281 HB3 CYS 40 HB3 CYS 40 9.322 -1.727 -5.947 282 H MET 41 H MET 41 9.842 -0.908 -9.345 283 HA MET 41 HA MET 41 12.511 -0.557 -8.334 284 HB2 MET 41 HB2 MET 41 12.698 -2.537 -9.876 285 HB3 MET 41 HB3 MET 41 12.211 -1.481 -11.194 286 HG2 MET 41 HG2 MET 41 14.180 -0.034 -10.628 287 HG3 MET 41 HG3 MET 41 14.701 -1.305 -9.524 288 HE1 MET 41 HE1 MET 41 17.032 -2.752 -10.966 289 HE2 MET 41 HE2 MET 41 17.254 -1.514 -12.202 290 HE3 MET 41 HE3 MET 41 16.775 -1.053 -10.568 Start of MODEL 14 1 H1 CYS 1 H CYS 1 2.022 -0.243 1.117 2 HA CYS 1 HA CYS 1 1.696 -0.155 -1.698 3 HB2 CYS 1 HB2 CYS 1 3.722 1.302 -2.138 4 HB3 CYS 1 HB3 CYS 1 2.278 2.149 -1.592 5 H ALA 2 H ALA 2 3.509 -1.133 -2.842 6 HA ALA 2 HA ALA 2 4.657 -3.271 -1.339 7 HB1 ALA 2 HB1 ALA 2 4.615 -2.439 -4.182 8 HB2 ALA 2 HB2 ALA 2 5.926 -3.502 -3.668 9 HB3 ALA 2 HB3 ALA 2 4.249 -4.002 -3.450 10 H SER 3 H SER 3 6.939 -3.772 -1.213 11 HA SER 3 HA SER 3 8.509 -1.380 -0.642 12 HB2 SER 3 HB2 SER 3 8.256 -3.396 0.952 13 HB3 SER 3 HB3 SER 3 9.393 -4.212 -0.121 14 HG SER 3 HG SER 3 10.865 -3.220 0.993 15 H LYS 4 H LYS 4 11.045 -2.035 -0.985 16 HA LYS 4 HA LYS 4 11.527 -1.691 -3.709 17 HB2 LYS 4 HB2 LYS 4 13.272 -2.533 -1.412 18 HB3 LYS 4 HB3 LYS 4 13.914 -2.455 -3.047 19 HG2 LYS 4 HG2 LYS 4 12.456 -0.055 -2.278 20 HG3 LYS 4 HG3 LYS 4 13.845 -0.393 -1.243 21 HD2 LYS 4 HD2 LYS 4 15.318 0.092 -2.868 22 HD3 LYS 4 HD3 LYS 4 14.373 -0.743 -4.103 23 HE2 LYS 4 HE2 LYS 4 13.143 1.129 -4.617 24 HE3 LYS 4 HE3 LYS 4 13.362 1.844 -3.021 25 HZ1 LYS 4 HZ1 LYS 4 14.643 2.724 -5.134 26 HZ2 LYS 4 HZ2 LYS 4 15.739 1.516 -4.686 27 HZ3 LYS 4 HZ3 LYS 4 15.345 2.746 -3.595 28 H ASN 5 H ASN 5 11.992 -3.037 -5.381 29 HA ASN 5 HA ASN 5 11.763 -4.953 -6.614 30 HB2 ASN 5 HB2 ASN 5 13.345 -6.711 -6.002 31 HB3 ASN 5 HB3 ASN 5 14.079 -5.125 -5.782 32 HD21 ASN 5 HD21 ASN 5 12.907 -7.983 -4.233 33 HD22 ASN 5 HD22 ASN 5 13.518 -7.632 -2.656 34 H GLU 6 H GLU 6 9.693 -4.522 -4.594 35 HA GLU 6 HA GLU 6 9.045 -7.229 -3.710 36 HB2 GLU 6 HB2 GLU 6 8.766 -4.959 -2.370 37 HB3 GLU 6 HB3 GLU 6 7.231 -4.912 -3.225 38 HG2 GLU 6 HG2 GLU 6 7.552 -7.516 -2.159 39 HG3 GLU 6 HG3 GLU 6 7.916 -6.354 -0.886 40 H ARG 7 H ARG 7 6.734 -7.935 -3.984 41 HA ARG 7 HA ARG 7 6.079 -7.874 -6.773 42 HB2 ARG 7 HB2 ARG 7 4.171 -9.342 -6.072 43 HB3 ARG 7 HB3 ARG 7 5.759 -9.938 -5.606 44 HG2 ARG 7 HG2 ARG 7 5.217 -9.939 -3.456 45 HG3 ARG 7 HG3 ARG 7 4.611 -8.283 -3.538 46 HD2 ARG 7 HD2 ARG 7 2.763 -9.588 -2.898 47 HD3 ARG 7 HD3 ARG 7 2.529 -9.262 -4.615 48 HE ARG 7 HE ARG 7 3.899 -11.723 -4.172 49 HH11 ARG 7 HH11 ARG 7 0.755 -10.227 -4.168 50 HH12 ARG 7 HH12 ARG 7 -0.091 -11.702 -4.500 51 HH21 ARG 7 HH21 ARG 7 2.796 -13.671 -4.608 52 HH22 ARG 7 HH22 ARG 7 1.071 -13.660 -4.749 53 H CYS 8 H CYS 8 4.983 -6.291 -7.708 54 HA CYS 8 HA CYS 8 2.880 -4.928 -6.155 55 HB2 CYS 8 HB2 CYS 8 3.330 -2.979 -7.738 56 HB3 CYS 8 HB3 CYS 8 4.566 -3.311 -6.530 57 H GLY 9 H GLY 9 1.427 -3.649 -7.895 58 HA2 GLY 9 HA2 GLY 9 0.570 -5.708 -9.833 59 HA3 GLY 9 HA3 GLY 9 -0.538 -4.640 -8.983 60 H ASN 10 H ASN 10 -0.732 -4.815 -11.678 61 HA ASN 10 HA ASN 10 -0.286 -2.102 -12.473 62 HB2 ASN 10 HB2 ASN 10 1.946 -3.217 -12.903 63 HB3 ASN 10 HB3 ASN 10 1.131 -4.211 -14.106 64 HD21 ASN 10 HD21 ASN 10 3.269 -2.170 -14.320 65 HD22 ASN 10 HD22 ASN 10 2.698 -1.041 -15.496 66 H ALA 11 H ALA 11 -2.210 -1.667 -13.316 67 HA ALA 11 HA ALA 11 -4.019 -3.546 -14.327 68 HB1 ALA 11 HB1 ALA 11 -5.042 -1.597 -13.668 69 HB2 ALA 11 HB2 ALA 11 -3.827 -0.572 -14.434 70 HB3 ALA 11 HB3 ALA 11 -5.034 -1.396 -15.421 71 H LEU 12 H LEU 12 -1.527 -1.652 -15.912 72 HA LEU 12 HA LEU 12 -2.323 -2.017 -18.574 73 HB2 LEU 12 HB2 LEU 12 -0.425 -0.572 -17.472 74 HB3 LEU 12 HB3 LEU 12 0.567 -1.981 -17.843 75 HG LEU 12 HG LEU 12 -1.033 -0.995 -20.097 76 HD11 LEU 12 HD11 LEU 12 0.734 0.808 -18.574 77 HD12 LEU 12 HD12 LEU 12 -0.607 1.175 -19.658 78 HD13 LEU 12 HD13 LEU 12 0.977 0.773 -20.320 79 HD21 LEU 12 HD21 LEU 12 0.669 -1.852 -21.298 80 HD22 LEU 12 HD22 LEU 12 1.047 -2.686 -19.791 81 HD23 LEU 12 HD23 LEU 12 1.902 -1.203 -20.217 82 H TYR 13 H TYR 13 -0.922 -4.194 -16.308 83 HA TYR 13 HA TYR 13 -0.388 -6.137 -18.455 84 HB2 TYR 13 HB2 TYR 13 0.846 -5.698 -15.765 85 HB3 TYR 13 HB3 TYR 13 0.849 -7.318 -16.453 86 HD1 TYR 13 HD2 TYR 13 1.799 -3.804 -17.259 87 HD2 TYR 13 HD1 TYR 13 2.540 -7.940 -17.926 88 HE1 TYR 13 HE2 TYR 13 3.788 -3.228 -18.586 89 HE2 TYR 13 HE1 TYR 13 4.531 -7.376 -19.254 90 HH TYR 13 HH TYR 13 5.845 -4.203 -19.337 91 H GLY 14 H GLY 14 -2.958 -5.411 -17.005 92 HA2 GLY 14 HA2 GLY 14 -4.802 -6.496 -16.170 93 HA3 GLY 14 HA3 GLY 14 -4.160 -7.911 -16.990 94 H THR 15 H THR 15 -2.308 -6.369 -14.495 95 HA THR 15 HA THR 15 -2.828 -8.684 -12.752 96 HB THR 15 HB THR 15 -0.639 -8.461 -11.846 97 HG1 THR 15 HG1 THR 15 -0.287 -6.110 -13.417 98 HG21 THR 15 HG21 THR 15 -1.072 -9.042 -14.503 99 HG22 THR 15 HG22 THR 15 0.421 -9.346 -13.614 100 HG23 THR 15 HG23 THR 15 0.245 -7.871 -14.565 101 H LYS 16 H LYS 16 -3.829 -8.339 -10.884 102 HA LYS 16 HA LYS 16 -4.197 -5.584 -9.970 103 HB2 LYS 16 HB2 LYS 16 -5.634 -8.167 -9.424 104 HB3 LYS 16 HB3 LYS 16 -5.859 -6.771 -8.379 105 HG2 LYS 16 HG2 LYS 16 -6.852 -5.512 -10.076 106 HG3 LYS 16 HG3 LYS 16 -6.249 -6.582 -11.344 107 HD2 LYS 16 HD2 LYS 16 -7.777 -8.212 -9.665 108 HD3 LYS 16 HD3 LYS 16 -8.705 -6.721 -9.836 109 HE2 LYS 16 HE2 LYS 16 -8.491 -6.903 -12.285 110 HE3 LYS 16 HE3 LYS 16 -7.628 -8.426 -12.080 111 HZ1 LYS 16 HZ1 LYS 16 -10.463 -7.834 -11.490 112 HZ2 LYS 16 HZ2 LYS 16 -9.685 -9.180 -10.825 113 HZ3 LYS 16 HZ3 LYS 16 -9.826 -9.030 -12.504 114 H GLY 17 H GLY 17 -2.549 -4.944 -8.706 115 HA2 GLY 17 HA2 GLY 17 -2.126 -6.376 -6.212 116 HA3 GLY 17 HA3 GLY 17 -0.724 -6.268 -7.267 117 HA PRO 18 HA PRO 18 -1.125 -2.477 -4.479 118 HB2 PRO 18 HB2 PRO 18 1.124 -2.903 -3.019 119 HB3 PRO 18 HB3 PRO 18 -0.460 -3.535 -2.551 120 HG2 PRO 18 HG2 PRO 18 1.799 -4.925 -3.938 121 HG3 PRO 18 HG3 PRO 18 0.759 -5.514 -2.628 122 HD2 PRO 18 HD2 PRO 18 0.381 -6.217 -5.215 123 HD3 PRO 18 HD3 PRO 18 -0.961 -6.051 -4.065 124 H GLY 19 H GLY 19 0.101 -0.596 -4.710 125 HA2 GLY 19 HA2 GLY 19 1.973 -0.654 -6.945 126 HA3 GLY 19 HA3 GLY 19 1.254 0.778 -6.224 127 H CYS 20 H CYS 20 4.075 0.080 -6.894 128 HA CYS 20 HA CYS 20 5.546 -0.397 -4.544 129 HB2 CYS 20 HB2 CYS 20 6.462 1.199 -6.942 130 HB3 CYS 20 HB3 CYS 20 7.475 0.342 -5.785 131 H CYS 21 H CYS 21 6.348 0.916 -2.983 132 HA CYS 21 HA CYS 21 5.055 3.280 -2.320 133 HB2 CYS 21 HB2 CYS 21 7.746 2.198 -1.483 134 HB3 CYS 21 HB3 CYS 21 7.043 3.651 -0.780 135 H ASN 22 H ASN 22 8.345 2.921 -3.650 136 HA ASN 22 HA ASN 22 8.019 5.483 -5.018 137 HB2 ASN 22 HB2 ASN 22 10.381 4.838 -3.238 138 HB3 ASN 22 HB3 ASN 22 10.228 6.266 -4.258 139 HD21 ASN 22 HD21 ASN 22 8.400 7.698 -3.805 140 HD22 ASN 22 HD22 ASN 22 7.887 7.886 -2.166 141 H GLY 23 H GLY 23 8.500 5.175 -7.085 142 HA2 GLY 23 HA2 GLY 23 10.637 4.590 -8.425 143 HA3 GLY 23 HA3 GLY 23 10.321 2.979 -7.797 144 H LYS 24 H LYS 24 9.550 1.750 -9.374 145 HA LYS 24 HA LYS 24 7.099 2.439 -10.688 146 HB2 LYS 24 HB2 LYS 24 7.844 2.565 -12.930 147 HB3 LYS 24 HB3 LYS 24 8.895 3.644 -12.022 148 HG2 LYS 24 HG2 LYS 24 10.599 1.849 -11.948 149 HG3 LYS 24 HG3 LYS 24 9.554 0.865 -12.976 150 HD2 LYS 24 HD2 LYS 24 9.742 2.399 -14.779 151 HD3 LYS 24 HD3 LYS 24 10.498 3.618 -13.751 152 HE2 LYS 24 HE2 LYS 24 11.705 0.938 -14.427 153 HE3 LYS 24 HE3 LYS 24 12.102 2.453 -15.236 154 HZ1 LYS 24 HZ1 LYS 24 12.688 1.638 -12.461 155 HZ2 LYS 24 HZ2 LYS 24 12.662 3.272 -12.895 156 HZ3 LYS 24 HZ3 LYS 24 13.752 2.216 -13.643 157 H CYS 25 H CYS 25 5.997 0.643 -11.247 158 HA CYS 25 HA CYS 25 7.032 -1.900 -10.490 159 HB2 CYS 25 HB2 CYS 25 4.553 -0.953 -10.583 160 HB3 CYS 25 HB3 CYS 25 4.587 -1.681 -12.185 161 H ILE 26 H ILE 26 7.942 -3.468 -11.680 162 HA ILE 26 HA ILE 26 8.147 -3.022 -14.586 163 HB ILE 26 HB ILE 26 10.119 -4.384 -12.748 164 HG12 ILE 26 HG12 ILE 26 10.181 -1.955 -12.560 165 HG13 ILE 26 HG13 ILE 26 11.613 -2.527 -13.409 166 HG21 ILE 26 HG21 ILE 26 9.691 -4.627 -15.582 167 HG22 ILE 26 HG22 ILE 26 11.279 -3.936 -15.250 168 HG23 ILE 26 HG23 ILE 26 10.827 -5.486 -14.542 169 HD11 ILE 26 HD11 ILE 26 9.557 -0.702 -14.276 170 HD12 ILE 26 HD12 ILE 26 11.151 -1.019 -14.962 171 HD13 ILE 26 HD13 ILE 26 9.777 -2.025 -15.420 172 H CYS 27 H CYS 27 6.439 -4.258 -15.271 173 HA CYS 27 HA CYS 27 6.148 -6.988 -14.322 174 HB2 CYS 27 HB2 CYS 27 4.563 -5.357 -16.315 175 HB3 CYS 27 HB3 CYS 27 4.180 -7.018 -15.874 176 H ARG 28 H ARG 28 6.678 -8.797 -15.424 177 HA ARG 28 HA ARG 28 7.703 -8.495 -18.164 178 HB2 ARG 28 HB2 ARG 28 9.625 -8.616 -16.675 179 HB3 ARG 28 HB3 ARG 28 8.983 -10.071 -15.925 180 HG2 ARG 28 HG2 ARG 28 9.455 -11.388 -17.775 181 HG3 ARG 28 HG3 ARG 28 9.558 -9.998 -18.858 182 HD2 ARG 28 HD2 ARG 28 11.731 -9.719 -18.442 183 HD3 ARG 28 HD3 ARG 28 11.488 -9.848 -16.700 184 HE ARG 28 HE ARG 28 12.397 -11.903 -18.466 185 HH11 ARG 28 HH11 ARG 28 10.672 -11.286 -15.506 186 HH12 ARG 28 HH12 ARG 28 11.029 -12.836 -14.822 187 HH21 ARG 28 HH21 ARG 28 12.874 -13.948 -17.576 188 HH22 ARG 28 HH22 ARG 28 12.283 -14.350 -15.999 189 H THR 29 H THR 29 7.589 -10.391 -19.471 190 HA THR 29 HA THR 29 6.047 -12.641 -18.436 191 HB THR 29 HB THR 29 4.724 -12.379 -20.757 192 HG1 THR 29 HG1 THR 29 4.929 -10.420 -21.509 193 HG21 THR 29 HG21 THR 29 4.158 -11.429 -17.994 194 HG22 THR 29 HG22 THR 29 3.369 -12.693 -18.938 195 HG23 THR 29 HG23 THR 29 3.022 -10.996 -19.271 196 H VAL 30 H VAL 30 7.518 -14.188 -18.858 197 HA VAL 30 HA VAL 30 8.090 -14.795 -21.633 198 HB VAL 30 HB VAL 30 10.553 -15.091 -21.134 199 HG11 VAL 30 HG11 VAL 30 11.091 -12.898 -21.797 200 HG12 VAL 30 HG12 VAL 30 9.470 -13.189 -22.432 201 HG13 VAL 30 HG13 VAL 30 9.687 -12.218 -20.976 202 HG21 VAL 30 HG21 VAL 30 9.768 -13.454 -18.734 203 HG22 VAL 30 HG22 VAL 30 10.600 -15.008 -18.762 204 HG23 VAL 30 HG23 VAL 30 11.424 -13.557 -19.333 205 HA PRO 31 HA PRO 31 7.522 -18.972 -20.427 206 HB2 PRO 31 HB2 PRO 31 9.972 -19.478 -22.051 207 HB3 PRO 31 HB3 PRO 31 8.387 -20.257 -22.132 208 HG2 PRO 31 HG2 PRO 31 9.143 -18.434 -23.946 209 HG3 PRO 31 HG3 PRO 31 7.464 -18.552 -23.387 210 HD2 PRO 31 HD2 PRO 31 9.524 -16.523 -22.779 211 HD3 PRO 31 HD3 PRO 31 7.756 -16.371 -22.835 212 H ARG 32 H ARG 32 10.666 -17.445 -20.146 213 HA ARG 32 HA ARG 32 11.847 -19.472 -18.524 214 HB2 ARG 32 HB2 ARG 32 13.003 -17.624 -19.920 215 HB3 ARG 32 HB3 ARG 32 12.707 -16.593 -18.526 216 HG2 ARG 32 HG2 ARG 32 13.839 -18.718 -17.317 217 HG3 ARG 32 HG3 ARG 32 14.636 -18.780 -18.890 218 HD2 ARG 32 HD2 ARG 32 15.039 -16.257 -18.532 219 HD3 ARG 32 HD3 ARG 32 14.669 -16.594 -16.841 220 HE ARG 32 HE ARG 32 17.067 -17.277 -18.254 221 HH11 ARG 32 HH11 ARG 32 14.984 -18.147 -15.604 222 HH12 ARG 32 HH12 ARG 32 16.236 -18.944 -14.711 223 HH21 ARG 32 HH21 ARG 32 18.724 -18.324 -17.087 224 HH22 ARG 32 HH22 ARG 32 18.364 -19.043 -15.555 225 H LYS 33 H LYS 33 9.963 -19.693 -17.062 226 HA LYS 33 HA LYS 33 8.812 -19.289 -15.125 227 HB2 LYS 33 HB2 LYS 33 11.642 -18.519 -14.430 228 HB3 LYS 33 HB3 LYS 33 10.362 -18.568 -13.224 229 HG2 LYS 33 HG2 LYS 33 10.105 -20.883 -13.421 230 HG3 LYS 33 HG3 LYS 33 10.979 -20.937 -14.954 231 HD2 LYS 33 HD2 LYS 33 12.839 -21.401 -13.829 232 HD3 LYS 33 HD3 LYS 33 12.740 -19.811 -13.069 233 HE2 LYS 33 HE2 LYS 33 11.066 -20.975 -11.460 234 HE3 LYS 33 HE3 LYS 33 11.804 -22.464 -12.047 235 HZ1 LYS 33 HZ1 LYS 33 12.733 -20.971 -9.999 236 HZ2 LYS 33 HZ2 LYS 33 13.710 -20.449 -11.277 237 HZ3 LYS 33 HZ3 LYS 33 13.650 -22.091 -10.875 238 H GLY 34 H GLY 34 8.658 -17.144 -17.025 239 HA2 GLY 34 HA2 GLY 34 8.570 -14.793 -15.244 240 HA3 GLY 34 HA3 GLY 34 8.705 -14.716 -16.995 241 H VAL 35 H VAL 35 6.508 -16.265 -14.646 242 HA VAL 35 HA VAL 35 4.244 -15.830 -16.372 243 HB VAL 35 HB VAL 35 4.267 -17.839 -15.045 244 HG11 VAL 35 HG11 VAL 35 5.179 -17.845 -13.022 245 HG12 VAL 35 HG12 VAL 35 5.205 -16.081 -12.992 246 HG13 VAL 35 HG13 VAL 35 3.783 -16.953 -12.418 247 HG21 VAL 35 HG21 VAL 35 2.055 -17.793 -14.740 248 HG22 VAL 35 HG22 VAL 35 2.168 -16.541 -13.503 249 HG23 VAL 35 HG23 VAL 35 2.139 -16.094 -15.209 250 H ASN 36 H ASN 36 4.535 -13.460 -16.446 251 HA ASN 36 HA ASN 36 3.882 -11.350 -15.905 252 HB2 ASN 36 HB2 ASN 36 1.939 -12.965 -14.261 253 HB3 ASN 36 HB3 ASN 36 1.894 -11.205 -14.292 254 HD21 ASN 36 HD21 ASN 36 1.912 -10.273 -16.568 255 HD22 ASN 36 HD22 ASN 36 0.865 -11.039 -17.709 256 H SER 37 H SER 37 6.165 -11.644 -14.835 257 HA SER 37 HA SER 37 6.098 -11.406 -11.940 258 HB2 SER 37 HB2 SER 37 7.928 -12.690 -12.706 259 HB3 SER 37 HB3 SER 37 8.319 -11.529 -13.975 260 HG SER 37 HG SER 37 9.755 -11.021 -12.461 261 H CYS 38 H CYS 38 5.419 -9.494 -11.199 262 HA CYS 38 HA CYS 38 6.445 -7.051 -12.481 263 HB2 CYS 38 HB2 CYS 38 4.005 -7.424 -10.732 264 HB3 CYS 38 HB3 CYS 38 4.533 -5.895 -11.427 265 H ARG 39 H ARG 39 8.381 -6.824 -11.410 266 HA ARG 39 HA ARG 39 8.322 -6.725 -8.480 267 HB2 ARG 39 HB2 ARG 39 10.089 -7.985 -10.032 268 HB3 ARG 39 HB3 ARG 39 10.861 -6.405 -10.000 269 HG2 ARG 39 HG2 ARG 39 11.873 -7.368 -8.207 270 HG3 ARG 39 HG3 ARG 39 10.475 -6.650 -7.405 271 HD2 ARG 39 HD2 ARG 39 10.874 -8.976 -6.702 272 HD3 ARG 39 HD3 ARG 39 9.304 -8.765 -7.478 273 HE ARG 39 HE ARG 39 11.054 -9.535 -9.470 274 HH11 ARG 39 HH11 ARG 39 9.852 -10.850 -6.479 275 HH12 ARG 39 HH12 ARG 39 9.994 -12.498 -6.994 276 HH21 ARG 39 HH21 ARG 39 11.246 -11.701 -10.160 277 HH22 ARG 39 HH22 ARG 39 10.788 -12.981 -9.088 278 H CYS 40 H CYS 40 9.189 -4.944 -7.341 279 HA CYS 40 HA CYS 40 8.669 -2.411 -8.615 280 HB2 CYS 40 HB2 CYS 40 9.532 -3.141 -5.812 281 HB3 CYS 40 HB3 CYS 40 9.231 -1.489 -6.341 282 H MET 41 H MET 41 10.155 -1.474 -9.846 283 HA MET 41 HA MET 41 12.865 -1.179 -8.824 284 HB2 MET 41 HB2 MET 41 13.033 -3.192 -10.174 285 HB3 MET 41 HB3 MET 41 12.253 -2.385 -11.528 286 HG2 MET 41 HG2 MET 41 14.189 -0.765 -11.511 287 HG3 MET 41 HG3 MET 41 14.980 -1.868 -10.387 288 HE1 MET 41 HE1 MET 41 15.926 -1.601 -14.339 289 HE2 MET 41 HE2 MET 41 16.018 -0.727 -12.809 290 HE3 MET 41 HE3 MET 41 17.071 -2.114 -13.098 Start of MODEL 15 1 H1 CYS 1 H CYS 1 2.009 0.092 1.848 2 HA CYS 1 HA CYS 1 1.422 -0.099 -0.947 3 HB2 CYS 1 HB2 CYS 1 3.351 1.483 -1.563 4 HB3 CYS 1 HB3 CYS 1 1.821 2.214 -1.092 5 H ALA 2 H ALA 2 3.165 -1.058 -2.164 6 HA ALA 2 HA ALA 2 4.646 -2.950 -0.617 7 HB1 ALA 2 HB1 ALA 2 5.450 -3.780 -2.758 8 HB2 ALA 2 HB2 ALA 2 3.707 -3.512 -2.809 9 HB3 ALA 2 HB3 ALA 2 4.800 -2.356 -3.570 10 H SER 3 H SER 3 7.052 -3.253 -1.790 11 HA SER 3 HA SER 3 8.452 -0.691 -1.476 12 HB2 SER 3 HB2 SER 3 8.527 -2.031 0.659 13 HB3 SER 3 HB3 SER 3 9.420 -3.268 -0.224 14 HG SER 3 HG SER 3 11.149 -2.062 -0.163 15 H LYS 4 H LYS 4 10.912 -1.121 -2.016 16 HA LYS 4 HA LYS 4 11.055 -1.747 -4.736 17 HB2 LYS 4 HB2 LYS 4 13.426 -1.467 -4.539 18 HB3 LYS 4 HB3 LYS 4 12.660 -0.303 -3.466 19 HG2 LYS 4 HG2 LYS 4 13.080 -1.832 -1.571 20 HG3 LYS 4 HG3 LYS 4 13.939 -2.911 -2.672 21 HD2 LYS 4 HD2 LYS 4 15.453 -0.983 -3.221 22 HD3 LYS 4 HD3 LYS 4 14.677 -0.088 -1.912 23 HE2 LYS 4 HE2 LYS 4 15.768 -1.238 -0.320 24 HE3 LYS 4 HE3 LYS 4 15.595 -2.772 -1.171 25 HZ1 LYS 4 HZ1 LYS 4 17.550 -0.670 -1.922 26 HZ2 LYS 4 HZ2 LYS 4 17.446 -2.235 -2.554 27 HZ3 LYS 4 HZ3 LYS 4 17.920 -2.002 -0.947 28 H ASN 5 H ASN 5 11.549 -3.552 -5.868 29 HA ASN 5 HA ASN 5 12.020 -5.731 -6.345 30 HB2 ASN 5 HB2 ASN 5 13.885 -5.203 -4.542 31 HB3 ASN 5 HB3 ASN 5 12.927 -6.305 -3.557 32 HD21 ASN 5 HD21 ASN 5 15.632 -6.538 -4.732 33 HD22 ASN 5 HD22 ASN 5 15.607 -8.008 -5.640 34 H GLU 6 H GLU 6 9.649 -4.665 -4.559 35 HA GLU 6 HA GLU 6 8.682 -7.254 -3.589 36 HB2 GLU 6 HB2 GLU 6 8.600 -4.923 -2.321 37 HB3 GLU 6 HB3 GLU 6 7.115 -4.741 -3.242 38 HG2 GLU 6 HG2 GLU 6 6.008 -6.240 -2.002 39 HG3 GLU 6 HG3 GLU 6 7.396 -7.320 -1.882 40 H ARG 7 H ARG 7 6.341 -7.733 -3.972 41 HA ARG 7 HA ARG 7 5.817 -7.661 -6.785 42 HB2 ARG 7 HB2 ARG 7 3.758 -8.922 -6.176 43 HB3 ARG 7 HB3 ARG 7 5.234 -9.644 -5.550 44 HG2 ARG 7 HG2 ARG 7 4.786 -8.777 -3.352 45 HG3 ARG 7 HG3 ARG 7 3.381 -7.893 -3.951 46 HD2 ARG 7 HD2 ARG 7 2.075 -9.729 -3.967 47 HD3 ARG 7 HD3 ARG 7 3.381 -10.775 -4.524 48 HE ARG 7 HE ARG 7 2.558 -10.335 -1.817 49 HH11 ARG 7 HH11 ARG 7 5.251 -11.167 -3.860 50 HH12 ARG 7 HH12 ARG 7 6.098 -12.026 -2.616 51 HH21 ARG 7 HH21 ARG 7 3.663 -11.463 -0.171 52 HH22 ARG 7 HH22 ARG 7 5.193 -12.194 -0.519 53 H CYS 8 H CYS 8 4.479 -6.376 -7.912 54 HA CYS 8 HA CYS 8 2.688 -4.576 -6.425 55 HB2 CYS 8 HB2 CYS 8 3.338 -2.693 -7.713 56 HB3 CYS 8 HB3 CYS 8 4.837 -3.456 -7.194 57 H GLY 9 H GLY 9 1.302 -3.332 -8.235 58 HA2 GLY 9 HA2 GLY 9 0.276 -5.435 -10.042 59 HA3 GLY 9 HA3 GLY 9 -0.772 -4.327 -9.169 60 H ASN 10 H ASN 10 -0.847 -4.685 -11.957 61 HA ASN 10 HA ASN 10 -0.583 -1.961 -12.799 62 HB2 ASN 10 HB2 ASN 10 1.745 -2.867 -13.100 63 HB3 ASN 10 HB3 ASN 10 1.088 -4.004 -14.274 64 HD21 ASN 10 HD21 ASN 10 3.043 -1.828 -14.567 65 HD22 ASN 10 HD22 ASN 10 2.418 -0.809 -15.815 66 H ALA 11 H ALA 11 -2.491 -1.698 -13.745 67 HA ALA 11 HA ALA 11 -4.095 -3.738 -14.790 68 HB1 ALA 11 HB1 ALA 11 -4.840 -1.455 -14.039 69 HB2 ALA 11 HB2 ALA 11 -4.259 -0.841 -15.588 70 HB3 ALA 11 HB3 ALA 11 -5.560 -2.031 -15.543 71 H LEU 12 H LEU 12 -1.686 -1.685 -16.302 72 HA LEU 12 HA LEU 12 -2.317 -2.149 -18.988 73 HB2 LEU 12 HB2 LEU 12 -0.564 -0.576 -17.815 74 HB3 LEU 12 HB3 LEU 12 0.527 -1.924 -18.126 75 HG LEU 12 HG LEU 12 -0.386 -1.679 -20.580 76 HD11 LEU 12 HD11 LEU 12 -0.720 1.125 -19.529 77 HD12 LEU 12 HD12 LEU 12 -2.051 0.044 -19.940 78 HD13 LEU 12 HD13 LEU 12 -0.930 0.577 -21.193 79 HD21 LEU 12 HD21 LEU 12 1.912 -0.944 -19.246 80 HD22 LEU 12 HD22 LEU 12 1.437 0.533 -20.087 81 HD23 LEU 12 HD23 LEU 12 1.684 -0.960 -20.995 82 H TYR 13 H TYR 13 -0.969 -4.225 -16.619 83 HA TYR 13 HA TYR 13 -0.204 -6.160 -18.706 84 HB2 TYR 13 HB2 TYR 13 0.934 -5.553 -16.015 85 HB3 TYR 13 HB3 TYR 13 1.011 -7.212 -16.595 86 HD1 TYR 13 HD1 TYR 13 2.092 -3.749 -17.260 87 HD2 TYR 13 HD2 TYR 13 2.521 -7.843 -18.337 88 HE1 TYR 13 HE1 TYR 13 4.092 -3.187 -18.575 89 HE2 TYR 13 HE2 TYR 13 4.523 -7.292 -19.654 90 HH TYR 13 HH TYR 13 5.330 -4.212 -20.571 91 H GLY 14 H GLY 14 -2.831 -5.519 -17.211 92 HA2 GLY 14 HA2 GLY 14 -4.633 -6.704 -16.426 93 HA3 GLY 14 HA3 GLY 14 -3.916 -8.086 -17.240 94 H THR 15 H THR 15 -2.230 -6.411 -14.693 95 HA THR 15 HA THR 15 -2.618 -8.769 -12.970 96 HB THR 15 HB THR 15 -0.462 -8.346 -11.986 97 HG1 THR 15 HG1 THR 15 0.455 -6.442 -12.121 98 HG21 THR 15 HG21 THR 15 0.513 -7.943 -14.678 99 HG22 THR 15 HG22 THR 15 -0.842 -9.072 -14.654 100 HG23 THR 15 HG23 THR 15 0.583 -9.383 -13.663 101 H LYS 16 H LYS 16 -3.672 -8.486 -11.122 102 HA LYS 16 HA LYS 16 -4.230 -5.762 -10.217 103 HB2 LYS 16 HB2 LYS 16 -5.906 -6.892 -8.733 104 HB3 LYS 16 HB3 LYS 16 -6.187 -7.117 -10.455 105 HG2 LYS 16 HG2 LYS 16 -4.546 -9.246 -9.541 106 HG3 LYS 16 HG3 LYS 16 -5.914 -9.082 -8.438 107 HD2 LYS 16 HD2 LYS 16 -7.167 -8.834 -10.820 108 HD3 LYS 16 HD3 LYS 16 -5.841 -9.911 -11.266 109 HE2 LYS 16 HE2 LYS 16 -6.609 -11.617 -9.967 110 HE3 LYS 16 HE3 LYS 16 -7.325 -10.533 -8.775 111 HZ1 LYS 16 HZ1 LYS 16 -8.621 -11.890 -10.813 112 HZ2 LYS 16 HZ2 LYS 16 -8.657 -10.257 -11.249 113 HZ3 LYS 16 HZ3 LYS 16 -9.283 -10.747 -9.756 114 H GLY 17 H GLY 17 -2.574 -5.034 -8.991 115 HA2 GLY 17 HA2 GLY 17 -2.041 -6.494 -6.509 116 HA3 GLY 17 HA3 GLY 17 -0.670 -6.110 -7.538 117 HA PRO 18 HA PRO 18 -1.662 -2.599 -4.537 118 HB2 PRO 18 HB2 PRO 18 0.614 -2.769 -3.066 119 HB3 PRO 18 HB3 PRO 18 -0.860 -3.658 -2.662 120 HG2 PRO 18 HG2 PRO 18 1.595 -4.608 -4.089 121 HG3 PRO 18 HG3 PRO 18 0.645 -5.423 -2.833 122 HD2 PRO 18 HD2 PRO 18 0.399 -6.019 -5.463 123 HD3 PRO 18 HD3 PRO 18 -0.963 -6.126 -4.328 124 H GLY 19 H GLY 19 0.177 -0.853 -3.900 125 HA2 GLY 19 HA2 GLY 19 1.682 -0.343 -6.393 126 HA3 GLY 19 HA3 GLY 19 0.869 0.924 -5.485 127 H CYS 20 H CYS 20 3.761 0.334 -6.265 128 HA CYS 20 HA CYS 20 5.183 -0.148 -3.854 129 HB2 CYS 20 HB2 CYS 20 6.236 1.330 -6.265 130 HB3 CYS 20 HB3 CYS 20 7.152 0.398 -5.086 131 H CYS 21 H CYS 21 5.877 1.204 -2.299 132 HA CYS 21 HA CYS 21 4.672 3.633 -1.803 133 HB2 CYS 21 HB2 CYS 21 7.309 2.517 -0.854 134 HB3 CYS 21 HB3 CYS 21 6.662 4.041 -0.257 135 H ASN 22 H ASN 22 7.698 2.982 -3.498 136 HA ASN 22 HA ASN 22 7.530 5.465 -4.911 137 HB2 ASN 22 HB2 ASN 22 8.534 6.101 -2.664 138 HB3 ASN 22 HB3 ASN 22 9.936 5.136 -3.116 139 HD21 ASN 22 HD21 ASN 22 11.530 6.374 -3.759 140 HD22 ASN 22 HD22 ASN 22 11.393 7.794 -4.734 141 H GLY 23 H GLY 23 8.136 4.946 -6.901 142 HA2 GLY 23 HA2 GLY 23 10.316 4.310 -8.100 143 HA3 GLY 23 HA3 GLY 23 10.111 2.787 -7.248 144 H LYS 24 H LYS 24 10.266 3.061 -10.061 145 HA LYS 24 HA LYS 24 7.569 2.813 -11.091 146 HB2 LYS 24 HB2 LYS 24 10.307 2.735 -12.328 147 HB3 LYS 24 HB3 LYS 24 8.888 2.242 -13.242 148 HG2 LYS 24 HG2 LYS 24 8.893 4.409 -13.850 149 HG3 LYS 24 HG3 LYS 24 8.022 4.606 -12.328 150 HD2 LYS 24 HD2 LYS 24 10.054 5.220 -11.189 151 HD3 LYS 24 HD3 LYS 24 11.013 4.867 -12.628 152 HE2 LYS 24 HE2 LYS 24 9.478 6.635 -13.758 153 HE3 LYS 24 HE3 LYS 24 9.144 7.144 -12.103 154 HZ1 LYS 24 HZ1 LYS 24 11.351 7.738 -11.762 155 HZ2 LYS 24 HZ2 LYS 24 11.048 8.273 -13.338 156 HZ3 LYS 24 HZ3 LYS 24 11.915 6.842 -13.082 157 H CYS 25 H CYS 25 6.621 0.954 -11.874 158 HA CYS 25 HA CYS 25 7.654 -1.523 -10.766 159 HB2 CYS 25 HB2 CYS 25 5.046 -0.599 -11.869 160 HB3 CYS 25 HB3 CYS 25 5.401 -2.322 -11.949 161 H ILE 26 H ILE 26 8.325 -3.285 -11.915 162 HA ILE 26 HA ILE 26 8.535 -2.954 -14.837 163 HB ILE 26 HB ILE 26 10.739 -2.683 -13.946 164 HG12 ILE 26 HG12 ILE 26 10.724 -5.562 -14.804 165 HG13 ILE 26 HG13 ILE 26 10.266 -4.292 -15.933 166 HG21 ILE 26 HG21 ILE 26 11.361 -5.135 -12.726 167 HG22 ILE 26 HG22 ILE 26 11.260 -3.546 -11.970 168 HG23 ILE 26 HG23 ILE 26 9.843 -4.594 -12.012 169 HD11 ILE 26 HD11 ILE 26 12.869 -5.162 -15.138 170 HD12 ILE 26 HD12 ILE 26 12.406 -4.026 -16.405 171 HD13 ILE 26 HD13 ILE 26 12.663 -3.453 -14.757 172 H CYS 27 H CYS 27 7.072 -4.308 -15.671 173 HA CYS 27 HA CYS 27 6.659 -6.931 -14.451 174 HB2 CYS 27 HB2 CYS 27 4.824 -5.218 -15.331 175 HB3 CYS 27 HB3 CYS 27 5.131 -6.047 -16.854 176 H ARG 28 H ARG 28 6.927 -8.866 -15.557 177 HA ARG 28 HA ARG 28 8.313 -8.709 -18.147 178 HB2 ARG 28 HB2 ARG 28 9.946 -9.093 -16.325 179 HB3 ARG 28 HB3 ARG 28 9.062 -10.541 -15.863 180 HG2 ARG 28 HG2 ARG 28 9.818 -11.743 -17.646 181 HG3 ARG 28 HG3 ARG 28 10.001 -10.317 -18.669 182 HD2 ARG 28 HD2 ARG 28 11.854 -9.716 -16.884 183 HD3 ARG 28 HD3 ARG 28 11.855 -11.462 -16.644 184 HE ARG 28 HE ARG 28 12.935 -11.685 -18.641 185 HH11 ARG 28 HH11 ARG 28 11.418 -8.553 -18.534 186 HH12 ARG 28 HH12 ARG 28 12.123 -8.016 -20.023 187 HH21 ARG 28 HH21 ARG 28 13.870 -10.989 -20.602 188 HH22 ARG 28 HH22 ARG 28 13.517 -9.403 -21.199 189 H THR 29 H THR 29 8.174 -10.647 -19.443 190 HA THR 29 HA THR 29 6.132 -12.585 -18.663 191 HB THR 29 HB THR 29 5.331 -12.247 -21.202 192 HG1 THR 29 HG1 THR 29 5.153 -9.849 -21.390 193 HG21 THR 29 HG21 THR 29 4.398 -11.350 -18.589 194 HG22 THR 29 HG22 THR 29 3.509 -12.119 -19.904 195 HG23 THR 29 HG23 THR 29 3.769 -10.375 -19.916 196 H VAL 30 H VAL 30 7.782 -14.128 -18.604 197 HA VAL 30 HA VAL 30 8.593 -15.095 -21.243 198 HB VAL 30 HB VAL 30 10.596 -14.952 -18.997 199 HG11 VAL 30 HG11 VAL 30 11.052 -15.284 -21.953 200 HG12 VAL 30 HG12 VAL 30 12.198 -15.549 -20.638 201 HG13 VAL 30 HG13 VAL 30 10.832 -16.645 -20.854 202 HG21 VAL 30 HG21 VAL 30 11.631 -13.086 -20.314 203 HG22 VAL 30 HG22 VAL 30 10.138 -13.003 -21.249 204 HG23 VAL 30 HG23 VAL 30 10.112 -12.676 -19.516 205 HA PRO 31 HA PRO 31 7.113 -18.970 -19.753 206 HB2 PRO 31 HB2 PRO 31 9.404 -19.999 -21.364 207 HB3 PRO 31 HB3 PRO 31 7.703 -20.478 -21.392 208 HG2 PRO 31 HG2 PRO 31 8.747 -18.921 -23.307 209 HG3 PRO 31 HG3 PRO 31 7.085 -18.701 -22.731 210 HD2 PRO 31 HD2 PRO 31 9.489 -17.054 -22.248 211 HD3 PRO 31 HD3 PRO 31 7.778 -16.584 -22.300 212 H ARG 32 H ARG 32 10.535 -18.132 -19.659 213 HA ARG 32 HA ARG 32 11.269 -20.216 -17.848 214 HB2 ARG 32 HB2 ARG 32 12.901 -19.174 -19.360 215 HB3 ARG 32 HB3 ARG 32 12.693 -17.638 -18.529 216 HG2 ARG 32 HG2 ARG 32 14.180 -18.193 -16.983 217 HG3 ARG 32 HG3 ARG 32 13.365 -19.725 -16.663 218 HD2 ARG 32 HD2 ARG 32 14.498 -20.423 -18.930 219 HD3 ARG 32 HD3 ARG 32 15.606 -19.112 -18.529 220 HE ARG 32 HE ARG 32 15.425 -21.678 -17.254 221 HH11 ARG 32 HH11 ARG 32 16.370 -18.352 -16.852 222 HH12 ARG 32 HH12 ARG 32 17.508 -18.692 -15.591 223 HH21 ARG 32 HH21 ARG 32 16.919 -22.138 -15.594 224 HH22 ARG 32 HH22 ARG 32 17.820 -20.846 -14.876 225 H LYS 33 H LYS 33 9.495 -19.837 -16.308 226 HA LYS 33 HA LYS 33 8.628 -19.051 -14.352 227 HB2 LYS 33 HB2 LYS 33 11.586 -18.675 -14.011 228 HB3 LYS 33 HB3 LYS 33 10.477 -18.166 -12.744 229 HG2 LYS 33 HG2 LYS 33 9.636 -20.413 -12.515 230 HG3 LYS 33 HG3 LYS 33 10.623 -20.953 -13.875 231 HD2 LYS 33 HD2 LYS 33 12.554 -19.912 -12.360 232 HD3 LYS 33 HD3 LYS 33 11.405 -20.320 -11.084 233 HE2 LYS 33 HE2 LYS 33 12.846 -22.191 -11.352 234 HE3 LYS 33 HE3 LYS 33 11.292 -22.629 -12.060 235 HZ1 LYS 33 HZ1 LYS 33 12.252 -22.960 -14.015 236 HZ2 LYS 33 HZ2 LYS 33 13.759 -22.757 -13.275 237 HZ3 LYS 33 HZ3 LYS 33 12.988 -21.437 -13.999 238 H GLY 34 H GLY 34 8.139 -17.285 -16.324 239 HA2 GLY 34 HA2 GLY 34 8.386 -14.716 -14.913 240 HA3 GLY 34 HA3 GLY 34 8.819 -14.806 -16.614 241 H VAL 35 H VAL 35 6.118 -16.173 -14.736 242 HA VAL 35 HA VAL 35 4.253 -15.494 -16.819 243 HB VAL 35 HB VAL 35 3.786 -16.639 -14.063 244 HG11 VAL 35 HG11 VAL 35 1.620 -17.368 -15.481 245 HG12 VAL 35 HG12 VAL 35 1.682 -15.924 -14.468 246 HG13 VAL 35 HG13 VAL 35 1.946 -15.795 -16.208 247 HG21 VAL 35 HG21 VAL 35 4.243 -18.651 -14.907 248 HG22 VAL 35 HG22 VAL 35 3.253 -18.356 -16.337 249 HG23 VAL 35 HG23 VAL 35 4.931 -17.814 -16.298 250 H ASN 36 H ASN 36 4.623 -13.167 -16.780 251 HA ASN 36 HA ASN 36 3.984 -11.039 -16.295 252 HB2 ASN 36 HB2 ASN 36 1.819 -12.409 -14.683 253 HB3 ASN 36 HB3 ASN 36 1.822 -10.716 -15.168 254 HD21 ASN 36 HD21 ASN 36 0.894 -10.201 -17.024 255 HD22 ASN 36 HD22 ASN 36 0.427 -11.315 -18.259 256 H SER 37 H SER 37 6.118 -11.445 -14.985 257 HA SER 37 HA SER 37 5.716 -11.191 -12.111 258 HB2 SER 37 HB2 SER 37 7.511 -12.635 -12.628 259 HB3 SER 37 HB3 SER 37 8.151 -11.540 -13.853 260 HG SER 37 HG SER 37 9.270 -10.607 -12.353 261 H CYS 38 H CYS 38 5.014 -9.196 -11.588 262 HA CYS 38 HA CYS 38 6.468 -6.885 -12.685 263 HB2 CYS 38 HB2 CYS 38 3.838 -6.746 -11.224 264 HB3 CYS 38 HB3 CYS 38 4.549 -5.559 -12.312 265 H ARG 39 H ARG 39 8.137 -6.489 -11.349 266 HA ARG 39 HA ARG 39 7.600 -6.391 -8.457 267 HB2 ARG 39 HB2 ARG 39 10.271 -6.619 -9.855 268 HB3 ARG 39 HB3 ARG 39 9.990 -6.694 -8.121 269 HG2 ARG 39 HG2 ARG 39 8.991 -8.678 -10.154 270 HG3 ARG 39 HG3 ARG 39 10.359 -8.906 -9.063 271 HD2 ARG 39 HD2 ARG 39 8.979 -9.668 -7.501 272 HD3 ARG 39 HD3 ARG 39 8.135 -8.120 -7.497 273 HE ARG 39 HE ARG 39 6.444 -9.069 -8.724 274 HH11 ARG 39 HH11 ARG 39 9.209 -11.184 -8.728 275 HH12 ARG 39 HH12 ARG 39 8.362 -12.505 -9.461 276 HH21 ARG 39 HH21 ARG 39 5.317 -10.801 -9.690 277 HH22 ARG 39 HH22 ARG 39 6.148 -12.286 -10.009 278 H CYS 40 H CYS 40 8.807 -4.713 -7.244 279 HA CYS 40 HA CYS 40 8.456 -2.155 -8.524 280 HB2 CYS 40 HB2 CYS 40 9.434 -2.849 -5.746 281 HB3 CYS 40 HB3 CYS 40 9.033 -1.230 -6.308 282 H MET 41 H MET 41 10.012 -0.678 -9.067 283 HA MET 41 HA MET 41 12.810 -1.280 -8.535 284 HB2 MET 41 HB2 MET 41 12.468 -2.439 -10.621 285 HB3 MET 41 HB3 MET 41 11.665 -1.040 -11.320 286 HG2 MET 41 HG2 MET 41 13.587 -0.147 -11.964 287 HG3 MET 41 HG3 MET 41 14.310 -0.377 -10.373 288 HE1 MET 41 HE1 MET 41 16.374 -0.472 -12.317 289 HE2 MET 41 HE2 MET 41 16.717 -1.260 -10.777 290 HE3 MET 41 HE3 MET 41 17.132 -2.064 -12.291 Start of MODEL 16 1 H1 CYS 1 H CYS 1 2.038 -0.277 1.356 2 HA CYS 1 HA CYS 1 1.525 -0.546 -1.516 3 HB2 CYS 1 HB2 CYS 1 3.471 1.052 -1.908 4 HB3 CYS 1 HB3 CYS 1 1.959 1.777 -1.372 5 H ALA 2 H ALA 2 3.341 -1.403 -2.717 6 HA ALA 2 HA ALA 2 4.678 -3.482 -1.288 7 HB1 ALA 2 HB1 ALA 2 5.878 -3.596 -3.663 8 HB2 ALA 2 HB2 ALA 2 4.246 -4.209 -3.395 9 HB3 ALA 2 HB3 ALA 2 4.482 -2.617 -4.114 10 H SER 3 H SER 3 6.952 -3.812 -1.121 11 HA SER 3 HA SER 3 8.383 -1.369 -0.524 12 HB2 SER 3 HB2 SER 3 8.467 -3.357 0.984 13 HB3 SER 3 HB3 SER 3 9.331 -4.234 -0.279 14 HG SER 3 HG SER 3 10.390 -2.735 1.554 15 H LYS 4 H LYS 4 10.862 -1.511 -1.104 16 HA LYS 4 HA LYS 4 11.064 -1.131 -3.883 17 HB2 LYS 4 HB2 LYS 4 13.467 -0.887 -3.494 18 HB3 LYS 4 HB3 LYS 4 12.542 -0.014 -2.279 19 HG2 LYS 4 HG2 LYS 4 12.849 -2.063 -0.803 20 HG3 LYS 4 HG3 LYS 4 14.060 -2.584 -1.977 21 HD2 LYS 4 HD2 LYS 4 15.184 -0.356 -1.644 22 HD3 LYS 4 HD3 LYS 4 14.073 -0.079 -0.300 23 HE2 LYS 4 HE2 LYS 4 15.736 -1.021 0.901 24 HE3 LYS 4 HE3 LYS 4 14.988 -2.520 0.354 25 HZ1 LYS 4 HZ1 LYS 4 16.817 -1.574 -1.584 26 HZ2 LYS 4 HZ2 LYS 4 16.820 -3.044 -0.747 27 HZ3 LYS 4 HZ3 LYS 4 17.587 -1.690 -0.082 28 H ASN 5 H ASN 5 11.519 -2.468 -5.520 29 HA ASN 5 HA ASN 5 12.052 -4.344 -6.692 30 HB2 ASN 5 HB2 ASN 5 14.145 -4.093 -5.124 31 HB3 ASN 5 HB3 ASN 5 13.474 -5.514 -4.328 32 HD21 ASN 5 HD21 ASN 5 14.679 -7.166 -4.936 33 HD22 ASN 5 HD22 ASN 5 15.101 -7.564 -6.563 34 H GLU 6 H GLU 6 9.863 -4.181 -4.483 35 HA GLU 6 HA GLU 6 9.404 -6.985 -3.915 36 HB2 GLU 6 HB2 GLU 6 8.816 -4.842 -2.470 37 HB3 GLU 6 HB3 GLU 6 7.332 -4.898 -3.412 38 HG2 GLU 6 HG2 GLU 6 6.521 -6.497 -2.124 39 HG3 GLU 6 HG3 GLU 6 7.927 -7.514 -2.436 40 H ARG 7 H ARG 7 7.247 -7.948 -4.395 41 HA ARG 7 HA ARG 7 6.716 -7.740 -7.202 42 HB2 ARG 7 HB2 ARG 7 5.040 -9.512 -6.774 43 HB3 ARG 7 HB3 ARG 7 6.627 -9.908 -6.128 44 HG2 ARG 7 HG2 ARG 7 5.525 -8.754 -3.966 45 HG3 ARG 7 HG3 ARG 7 4.081 -9.416 -4.736 46 HD2 ARG 7 HD2 ARG 7 4.667 -11.538 -4.286 47 HD3 ARG 7 HD3 ARG 7 6.366 -11.250 -4.660 48 HE ARG 7 HE ARG 7 5.124 -11.162 -2.075 49 HH11 ARG 7 HH11 ARG 7 7.779 -10.003 -4.005 50 HH12 ARG 7 HH12 ARG 7 8.804 -9.694 -2.643 51 HH21 ARG 7 HH21 ARG 7 6.464 -10.758 -0.274 52 HH22 ARG 7 HH22 ARG 7 8.056 -10.124 -0.521 53 H CYS 8 H CYS 8 5.365 -6.372 -8.142 54 HA CYS 8 HA CYS 8 3.123 -5.295 -6.559 55 HB2 CYS 8 HB2 CYS 8 3.298 -3.243 -7.926 56 HB3 CYS 8 HB3 CYS 8 4.768 -3.557 -7.009 57 H GLY 9 H GLY 9 1.471 -4.231 -8.228 58 HA2 GLY 9 HA2 GLY 9 0.842 -6.376 -10.156 59 HA3 GLY 9 HA3 GLY 9 -0.358 -5.390 -9.334 60 H ASN 10 H ASN 10 -0.865 -5.434 -11.836 61 HA ASN 10 HA ASN 10 -0.339 -2.777 -12.759 62 HB2 ASN 10 HB2 ASN 10 1.723 -4.042 -13.473 63 HB3 ASN 10 HB3 ASN 10 0.684 -5.026 -14.501 64 HD21 ASN 10 HD21 ASN 10 2.806 -2.678 -14.683 65 HD22 ASN 10 HD22 ASN 10 2.165 -1.735 -15.981 66 H ALA 11 H ALA 11 -2.302 -2.190 -13.385 67 HA ALA 11 HA ALA 11 -4.407 -3.903 -14.017 68 HB1 ALA 11 HB1 ALA 11 -5.282 -1.702 -15.192 69 HB2 ALA 11 HB2 ALA 11 -5.173 -1.834 -13.436 70 HB3 ALA 11 HB3 ALA 11 -3.913 -0.991 -14.337 71 H LEU 12 H LEU 12 -2.055 -2.307 -16.106 72 HA LEU 12 HA LEU 12 -3.244 -2.865 -18.577 73 HB2 LEU 12 HB2 LEU 12 -1.144 -1.439 -17.899 74 HB3 LEU 12 HB3 LEU 12 -0.279 -2.928 -18.274 75 HG LEU 12 HG LEU 12 -1.796 -2.635 -20.506 76 HD11 LEU 12 HD11 LEU 12 -1.388 -0.187 -21.123 77 HD12 LEU 12 HD12 LEU 12 -1.256 0.095 -19.387 78 HD13 LEU 12 HD13 LEU 12 -2.751 -0.550 -20.065 79 HD21 LEU 12 HD21 LEU 12 0.459 -3.131 -20.749 80 HD22 LEU 12 HD22 LEU 12 0.972 -1.737 -19.798 81 HD23 LEU 12 HD23 LEU 12 0.336 -1.507 -21.427 82 H TYR 13 H TYR 13 -1.569 -4.903 -16.353 83 HA TYR 13 HA TYR 13 -1.238 -7.011 -18.354 84 HB2 TYR 13 HB2 TYR 13 -0.098 -6.471 -15.659 85 HB3 TYR 13 HB3 TYR 13 -0.263 -8.154 -16.146 86 HD1 TYR 13 HD2 TYR 13 1.039 -9.044 -18.009 87 HD2 TYR 13 HD1 TYR 13 1.481 -5.001 -16.757 88 HE1 TYR 13 HE2 TYR 13 3.131 -8.881 -19.293 89 HE2 TYR 13 HE1 TYR 13 3.573 -4.827 -18.038 90 HH TYR 13 HH TYR 13 4.702 -7.479 -20.082 91 H GLY 14 H GLY 14 -3.562 -5.943 -16.249 92 HA2 GLY 14 HA2 GLY 14 -5.654 -6.948 -15.919 93 HA3 GLY 14 HA3 GLY 14 -4.964 -8.490 -16.403 94 H THR 15 H THR 15 -3.065 -6.838 -14.137 95 HA THR 15 HA THR 15 -4.173 -8.495 -11.964 96 HB THR 15 HB THR 15 -1.898 -8.548 -10.995 97 HG1 THR 15 HG1 THR 15 -1.097 -7.373 -13.467 98 HG21 THR 15 HG21 THR 15 -1.498 -10.445 -12.111 99 HG22 THR 15 HG22 THR 15 -1.241 -9.583 -13.628 100 HG23 THR 15 HG23 THR 15 -2.874 -10.022 -13.129 101 H LYS 16 H LYS 16 -4.976 -7.418 -10.293 102 HA LYS 16 HA LYS 16 -4.405 -4.565 -10.030 103 HB2 LYS 16 HB2 LYS 16 -6.304 -4.621 -8.391 104 HB3 LYS 16 HB3 LYS 16 -6.738 -5.095 -10.028 105 HG2 LYS 16 HG2 LYS 16 -5.949 -7.390 -8.479 106 HG3 LYS 16 HG3 LYS 16 -7.237 -6.493 -7.672 107 HD2 LYS 16 HD2 LYS 16 -8.425 -6.492 -9.927 108 HD3 LYS 16 HD3 LYS 16 -7.243 -7.705 -10.424 109 HE2 LYS 16 HE2 LYS 16 -8.728 -9.176 -9.608 110 HE3 LYS 16 HE3 LYS 16 -8.078 -8.708 -8.037 111 HZ1 LYS 16 HZ1 LYS 16 -9.842 -7.095 -7.807 112 HZ2 LYS 16 HZ2 LYS 16 -10.504 -8.625 -8.094 113 HZ3 LYS 16 HZ3 LYS 16 -10.449 -7.481 -9.338 114 H GLY 17 H GLY 17 -2.261 -6.160 -9.329 115 HA2 GLY 17 HA2 GLY 17 -2.155 -6.835 -6.586 116 HA3 GLY 17 HA3 GLY 17 -0.768 -6.563 -7.631 117 HA PRO 18 HA PRO 18 -1.091 -3.185 -4.390 118 HB2 PRO 18 HB2 PRO 18 1.353 -3.611 -3.288 119 HB3 PRO 18 HB3 PRO 18 -0.107 -4.440 -2.735 120 HG2 PRO 18 HG2 PRO 18 2.044 -5.416 -4.574 121 HG3 PRO 18 HG3 PRO 18 1.227 -6.272 -3.253 122 HD2 PRO 18 HD2 PRO 18 0.566 -6.636 -5.853 123 HD3 PRO 18 HD3 PRO 18 -0.623 -6.753 -4.540 124 H GLY 19 H GLY 19 0.176 -1.240 -4.300 125 HA2 GLY 19 HA2 GLY 19 1.761 -0.846 -6.751 126 HA3 GLY 19 HA3 GLY 19 0.914 0.420 -5.874 127 H CYS 20 H CYS 20 3.817 -0.116 -6.717 128 HA CYS 20 HA CYS 20 5.366 -0.444 -4.389 129 HB2 CYS 20 HB2 CYS 20 6.153 1.135 -6.841 130 HB3 CYS 20 HB3 CYS 20 7.225 0.334 -5.697 131 H CYS 21 H CYS 21 5.935 0.908 -2.800 132 HA CYS 21 HA CYS 21 4.590 3.263 -2.271 133 HB2 CYS 21 HB2 CYS 21 7.345 2.470 -1.304 134 HB3 CYS 21 HB3 CYS 21 6.317 3.696 -0.570 135 H ASN 22 H ASN 22 7.775 2.830 -3.769 136 HA ASN 22 HA ASN 22 7.493 5.390 -5.100 137 HB2 ASN 22 HB2 ASN 22 9.808 6.096 -4.349 138 HB3 ASN 22 HB3 ASN 22 8.553 6.177 -3.116 139 HD21 ASN 22 HD21 ASN 22 11.637 5.233 -3.724 140 HD22 ASN 22 HD22 ASN 22 11.843 4.081 -2.453 141 H GLY 23 H GLY 23 7.622 4.509 -7.102 142 HA2 GLY 23 HA2 GLY 23 9.774 4.151 -8.565 143 HA3 GLY 23 HA3 GLY 23 9.786 2.626 -7.692 144 H LYS 24 H LYS 24 9.544 3.021 -10.540 145 HA LYS 24 HA LYS 24 6.785 2.494 -11.217 146 HB2 LYS 24 HB2 LYS 24 8.635 3.712 -12.626 147 HB3 LYS 24 HB3 LYS 24 9.058 2.079 -13.121 148 HG2 LYS 24 HG2 LYS 24 7.256 1.874 -14.437 149 HG3 LYS 24 HG3 LYS 24 6.200 2.713 -13.298 150 HD2 LYS 24 HD2 LYS 24 6.373 4.610 -14.450 151 HD3 LYS 24 HD3 LYS 24 8.136 4.535 -14.400 152 HE2 LYS 24 HE2 LYS 24 6.436 2.996 -16.356 153 HE3 LYS 24 HE3 LYS 24 7.151 4.570 -16.701 154 HZ1 LYS 24 HZ1 LYS 24 8.490 2.705 -17.531 155 HZ2 LYS 24 HZ2 LYS 24 8.690 2.145 -15.948 156 HZ3 LYS 24 HZ3 LYS 24 9.332 3.643 -16.402 157 H CYS 25 H CYS 25 5.937 0.562 -11.975 158 HA CYS 25 HA CYS 25 7.109 -1.810 -10.885 159 HB2 CYS 25 HB2 CYS 25 4.602 -1.169 -12.390 160 HB3 CYS 25 HB3 CYS 25 5.108 -2.849 -12.243 161 H ILE 26 H ILE 26 8.743 -2.832 -11.823 162 HA ILE 26 HA ILE 26 9.242 -2.594 -14.658 163 HB ILE 26 HB ILE 26 10.704 -4.208 -12.564 164 HG12 ILE 26 HG12 ILE 26 10.835 -1.832 -12.087 165 HG13 ILE 26 HG13 ILE 26 12.385 -2.384 -12.713 166 HG21 ILE 26 HG21 ILE 26 10.884 -4.189 -15.421 167 HG22 ILE 26 HG22 ILE 26 12.379 -3.563 -14.727 168 HG23 ILE 26 HG23 ILE 26 11.786 -5.155 -14.254 169 HD11 ILE 26 HD11 ILE 26 12.272 -0.659 -14.101 170 HD12 ILE 26 HD12 ILE 26 11.034 -1.567 -14.969 171 HD13 ILE 26 HD13 ILE 26 10.567 -0.384 -13.747 172 H CYS 27 H CYS 27 7.334 -3.642 -15.451 173 HA CYS 27 HA CYS 27 6.912 -6.437 -14.872 174 HB2 CYS 27 HB2 CYS 27 5.617 -4.575 -16.873 175 HB3 CYS 27 HB3 CYS 27 5.123 -6.244 -16.610 176 H ARG 28 H ARG 28 7.723 -8.121 -15.942 177 HA ARG 28 HA ARG 28 8.508 -7.924 -18.713 178 HB2 ARG 28 HB2 ARG 28 10.474 -7.060 -17.364 179 HB3 ARG 28 HB3 ARG 28 10.622 -8.680 -16.698 180 HG2 ARG 28 HG2 ARG 28 12.177 -8.315 -18.539 181 HG3 ARG 28 HG3 ARG 28 11.009 -9.581 -18.921 182 HD2 ARG 28 HD2 ARG 28 10.046 -8.378 -20.572 183 HD3 ARG 28 HD3 ARG 28 10.242 -6.850 -19.714 184 HE ARG 28 HE ARG 28 12.032 -7.993 -21.643 185 HH11 ARG 28 HH11 ARG 28 11.780 -5.862 -18.901 186 HH12 ARG 28 HH12 ARG 28 13.187 -4.942 -19.322 187 HH21 ARG 28 HH21 ARG 28 13.886 -6.790 -22.207 188 HH22 ARG 28 HH22 ARG 28 14.383 -5.470 -21.203 189 H THR 29 H THR 29 9.166 -10.018 -19.603 190 HA THR 29 HA THR 29 7.724 -12.179 -18.269 191 HB THR 29 HB THR 29 8.936 -12.271 -21.030 192 HG1 THR 29 HG1 THR 29 6.526 -11.118 -20.117 193 HG21 THR 29 HG21 THR 29 6.962 -13.908 -19.493 194 HG22 THR 29 HG22 THR 29 8.317 -14.432 -20.494 195 HG23 THR 29 HG23 THR 29 6.844 -13.825 -21.250 196 H VAL 30 H VAL 30 8.889 -13.370 -16.905 197 HA VAL 30 HA VAL 30 11.735 -13.687 -17.189 198 HB VAL 30 HB VAL 30 10.514 -13.546 -14.977 199 HG11 VAL 30 HG11 VAL 30 9.152 -15.185 -14.222 200 HG12 VAL 30 HG12 VAL 30 8.901 -15.460 -15.947 201 HG13 VAL 30 HG13 VAL 30 10.045 -16.460 -15.051 202 HG21 VAL 30 HG21 VAL 30 12.828 -14.220 -15.079 203 HG22 VAL 30 HG22 VAL 30 11.987 -15.210 -13.887 204 HG23 VAL 30 HG23 VAL 30 12.365 -15.875 -15.476 205 HA PRO 31 HA PRO 31 11.937 -17.172 -19.873 206 HB2 PRO 31 HB2 PRO 31 14.082 -18.015 -17.978 207 HB3 PRO 31 HB3 PRO 31 14.124 -17.885 -19.741 208 HG2 PRO 31 HG2 PRO 31 15.275 -16.039 -18.176 209 HG3 PRO 31 HG3 PRO 31 14.477 -15.603 -19.699 210 HD2 PRO 31 HD2 PRO 31 13.600 -15.171 -16.911 211 HD3 PRO 31 HD3 PRO 31 13.249 -14.229 -18.375 212 H ARG 32 H ARG 32 11.662 -17.451 -16.403 213 HA ARG 32 HA ARG 32 11.138 -20.275 -16.402 214 HB2 ARG 32 HB2 ARG 32 10.899 -18.109 -14.323 215 HB3 ARG 32 HB3 ARG 32 10.354 -19.752 -14.015 216 HG2 ARG 32 HG2 ARG 32 12.526 -20.621 -14.176 217 HG3 ARG 32 HG3 ARG 32 13.144 -19.155 -14.939 218 HD2 ARG 32 HD2 ARG 32 13.336 -18.046 -12.968 219 HD3 ARG 32 HD3 ARG 32 11.938 -18.851 -12.256 220 HE ARG 32 HE ARG 32 14.671 -19.644 -12.035 221 HH11 ARG 32 HH11 ARG 32 11.400 -20.831 -12.125 222 HH12 ARG 32 HH12 ARG 32 11.757 -22.266 -11.223 223 HH21 ARG 32 HH21 ARG 32 15.154 -21.530 -10.846 224 HH22 ARG 32 HH22 ARG 32 13.893 -22.662 -10.495 225 H LYS 33 H LYS 33 9.496 -19.215 -18.278 226 HA LYS 33 HA LYS 33 7.320 -18.857 -18.918 227 HB2 LYS 33 HB2 LYS 33 7.211 -21.171 -16.999 228 HB3 LYS 33 HB3 LYS 33 5.768 -20.617 -17.840 229 HG2 LYS 33 HG2 LYS 33 6.609 -21.221 -19.930 230 HG3 LYS 33 HG3 LYS 33 8.269 -21.315 -19.336 231 HD2 LYS 33 HD2 LYS 33 7.970 -23.390 -18.428 232 HD3 LYS 33 HD3 LYS 33 6.254 -23.124 -18.113 233 HE2 LYS 33 HE2 LYS 33 5.952 -23.188 -20.643 234 HE3 LYS 33 HE3 LYS 33 7.592 -23.831 -20.710 235 HZ1 LYS 33 HZ1 LYS 33 6.579 -25.795 -20.486 236 HZ2 LYS 33 HZ2 LYS 33 5.143 -25.120 -19.901 237 HZ3 LYS 33 HZ3 LYS 33 6.439 -25.394 -18.849 238 H GLY 34 H GLY 34 7.707 -16.763 -17.501 239 HA2 GLY 34 HA2 GLY 34 5.331 -16.560 -15.780 240 HA3 GLY 34 HA3 GLY 34 6.877 -15.987 -15.173 241 H VAL 35 H VAL 35 4.320 -15.440 -17.499 242 HA VAL 35 HA VAL 35 5.508 -12.989 -18.478 243 HB VAL 35 HB VAL 35 3.395 -12.748 -19.762 244 HG11 VAL 35 HG11 VAL 35 3.775 -15.237 -20.824 245 HG12 VAL 35 HG12 VAL 35 4.756 -13.816 -21.187 246 HG13 VAL 35 HG13 VAL 35 5.289 -14.967 -19.961 247 HG21 VAL 35 HG21 VAL 35 2.386 -15.400 -19.391 248 HG22 VAL 35 HG22 VAL 35 2.425 -14.562 -17.839 249 HG23 VAL 35 HG23 VAL 35 1.553 -13.856 -19.200 250 H ASN 36 H ASN 36 5.389 -12.616 -15.866 251 HA ASN 36 HA ASN 36 3.686 -10.364 -15.575 252 HB2 ASN 36 HB2 ASN 36 2.821 -12.956 -14.398 253 HB3 ASN 36 HB3 ASN 36 2.631 -11.516 -13.404 254 HD21 ASN 36 HD21 ASN 36 1.963 -9.611 -15.192 255 HD22 ASN 36 HD22 ASN 36 0.461 -9.997 -15.952 256 H SER 37 H SER 37 6.397 -10.640 -15.383 257 HA SER 37 HA SER 37 7.062 -10.741 -12.540 258 HB2 SER 37 HB2 SER 37 9.080 -10.136 -14.669 259 HB3 SER 37 HB3 SER 37 9.278 -11.028 -13.161 260 HG SER 37 HG SER 37 7.887 -11.913 -15.474 261 H CYS 38 H CYS 38 5.950 -8.816 -11.935 262 HA CYS 38 HA CYS 38 7.098 -6.316 -12.962 263 HB2 CYS 38 HB2 CYS 38 4.579 -6.837 -11.372 264 HB3 CYS 38 HB3 CYS 38 5.154 -5.235 -11.822 265 H ARG 39 H ARG 39 8.991 -6.136 -11.821 266 HA ARG 39 HA ARG 39 8.873 -6.284 -8.900 267 HB2 ARG 39 HB2 ARG 39 10.719 -7.308 -10.533 268 HB3 ARG 39 HB3 ARG 39 11.418 -5.707 -10.329 269 HG2 ARG 39 HG2 ARG 39 12.418 -7.082 -8.700 270 HG3 ARG 39 HG3 ARG 39 11.248 -6.077 -7.843 271 HD2 ARG 39 HD2 ARG 39 11.224 -8.460 -7.143 272 HD3 ARG 39 HD3 ARG 39 9.674 -7.884 -7.754 273 HE ARG 39 HE ARG 39 9.858 -9.335 -9.527 274 HH11 ARG 39 HH11 ARG 39 12.899 -9.146 -7.842 275 HH12 ARG 39 HH12 ARG 39 13.604 -10.478 -8.696 276 HH21 ARG 39 HH21 ARG 39 10.775 -11.091 -10.658 277 HH22 ARG 39 HH22 ARG 39 12.395 -11.583 -10.298 278 H CYS 40 H CYS 40 9.067 -4.545 -7.605 279 HA CYS 40 HA CYS 40 8.603 -1.964 -8.611 280 HB2 CYS 40 HB2 CYS 40 9.593 -2.877 -5.904 281 HB3 CYS 40 HB3 CYS 40 9.126 -1.220 -6.270 282 H MET 41 H MET 41 9.998 -0.859 -9.818 283 HA MET 41 HA MET 41 12.536 -0.085 -8.778 284 HB2 MET 41 HB2 MET 41 12.465 -2.445 -10.384 285 HB3 MET 41 HB3 MET 41 13.271 -1.178 -11.299 286 HG2 MET 41 HG2 MET 41 14.437 -0.908 -8.860 287 HG3 MET 41 HG3 MET 41 14.151 -2.645 -8.928 288 HE1 MET 41 HE1 MET 41 16.094 -4.292 -10.651 289 HE2 MET 41 HE2 MET 41 17.449 -3.438 -9.913 290 HE3 MET 41 HE3 MET 41 15.967 -3.704 -8.993 Start of MODEL 17 1 H1 CYS 1 H CYS 1 1.513 0.780 1.347 2 HA CYS 1 HA CYS 1 1.374 -0.634 -1.029 3 HB2 CYS 1 HB2 CYS 1 3.019 1.074 -1.894 4 HB3 CYS 1 HB3 CYS 1 1.594 1.741 -1.106 5 H ALA 2 H ALA 2 3.133 -1.371 -2.437 6 HA ALA 2 HA ALA 2 4.872 -3.172 -1.024 7 HB1 ALA 2 HB1 ALA 2 5.018 -2.699 -3.975 8 HB2 ALA 2 HB2 ALA 2 5.270 -4.190 -3.066 9 HB3 ALA 2 HB3 ALA 2 3.641 -3.547 -3.270 10 H SER 3 H SER 3 7.086 -3.132 -0.887 11 HA SER 3 HA SER 3 8.322 -0.526 -1.353 12 HB2 SER 3 HB2 SER 3 10.252 -1.876 -0.076 13 HB3 SER 3 HB3 SER 3 8.923 -1.097 0.782 14 HG SER 3 HG SER 3 9.129 -3.219 1.492 15 H LYS 4 H LYS 4 10.835 -0.829 -1.822 16 HA LYS 4 HA LYS 4 11.050 -1.630 -4.495 17 HB2 LYS 4 HB2 LYS 4 13.541 -1.423 -4.086 18 HB3 LYS 4 HB3 LYS 4 12.580 -0.001 -3.701 19 HG2 LYS 4 HG2 LYS 4 12.883 -0.239 -1.435 20 HG3 LYS 4 HG3 LYS 4 13.196 -1.973 -1.552 21 HD2 LYS 4 HD2 LYS 4 15.396 -1.678 -2.082 22 HD3 LYS 4 HD3 LYS 4 15.107 -0.135 -2.889 23 HE2 LYS 4 HE2 LYS 4 14.631 -0.241 0.032 24 HE3 LYS 4 HE3 LYS 4 16.306 -0.330 -0.508 25 HZ1 LYS 4 HZ1 LYS 4 15.661 1.703 -1.926 26 HZ2 LYS 4 HZ2 LYS 4 15.957 1.923 -0.276 27 HZ3 LYS 4 HZ3 LYS 4 14.367 1.860 -0.848 28 H ASN 5 H ASN 5 11.914 -3.421 -5.494 29 HA ASN 5 HA ASN 5 12.665 -5.562 -5.769 30 HB2 ASN 5 HB2 ASN 5 13.071 -5.857 -2.806 31 HB3 ASN 5 HB3 ASN 5 13.961 -6.613 -4.125 32 HD21 ASN 5 HD21 ASN 5 14.850 -5.022 -1.799 33 HD22 ASN 5 HD22 ASN 5 15.795 -3.736 -2.461 34 H GLU 6 H GLU 6 9.973 -4.588 -4.302 35 HA GLU 6 HA GLU 6 8.996 -7.273 -3.632 36 HB2 GLU 6 HB2 GLU 6 7.608 -4.632 -3.168 37 HB3 GLU 6 HB3 GLU 6 7.170 -6.196 -2.495 38 HG2 GLU 6 HG2 GLU 6 9.880 -5.582 -1.816 39 HG3 GLU 6 HG3 GLU 6 8.832 -4.235 -1.375 40 H ARG 7 H ARG 7 7.243 -8.187 -4.653 41 HA ARG 7 HA ARG 7 6.811 -7.447 -7.359 42 HB2 ARG 7 HB2 ARG 7 5.188 -9.279 -7.396 43 HB3 ARG 7 HB3 ARG 7 6.682 -9.775 -6.610 44 HG2 ARG 7 HG2 ARG 7 5.023 -8.794 -4.573 45 HG3 ARG 7 HG3 ARG 7 4.004 -9.802 -5.602 46 HD2 ARG 7 HD2 ARG 7 6.698 -10.748 -4.690 47 HD3 ARG 7 HD3 ARG 7 5.282 -10.907 -3.652 48 HE ARG 7 HE ARG 7 5.913 -12.481 -5.950 49 HH11 ARG 7 HH11 ARG 7 3.293 -11.198 -4.051 50 HH12 ARG 7 HH12 ARG 7 2.178 -12.442 -4.511 51 HH21 ARG 7 HH21 ARG 7 4.455 -14.125 -6.562 52 HH22 ARG 7 HH22 ARG 7 2.840 -14.107 -5.939 53 H CYS 8 H CYS 8 5.296 -6.200 -8.272 54 HA CYS 8 HA CYS 8 3.117 -5.204 -6.555 55 HB2 CYS 8 HB2 CYS 8 3.225 -3.087 -7.798 56 HB3 CYS 8 HB3 CYS 8 4.758 -3.444 -7.009 57 H GLY 9 H GLY 9 1.423 -4.050 -8.156 58 HA2 GLY 9 HA2 GLY 9 0.760 -6.103 -10.176 59 HA3 GLY 9 HA3 GLY 9 -0.439 -5.244 -9.221 60 H ASN 10 H ASN 10 -0.555 -5.375 -12.000 61 HA ASN 10 HA ASN 10 -0.607 -2.567 -12.629 62 HB2 ASN 10 HB2 ASN 10 1.752 -3.255 -13.158 63 HB3 ASN 10 HB3 ASN 10 1.100 -4.366 -14.358 64 HD21 ASN 10 HD21 ASN 10 2.871 -2.107 -14.730 65 HD22 ASN 10 HD22 ASN 10 2.070 -1.034 -15.823 66 H ALA 11 H ALA 11 -2.561 -2.351 -13.477 67 HA ALA 11 HA ALA 11 -4.126 -4.425 -14.510 68 HB1 ALA 11 HB1 ALA 11 -4.358 -1.444 -14.881 69 HB2 ALA 11 HB2 ALA 11 -5.591 -2.605 -15.373 70 HB3 ALA 11 HB3 ALA 11 -5.165 -2.439 -13.669 71 H LEU 12 H LEU 12 -1.959 -2.154 -16.097 72 HA LEU 12 HA LEU 12 -2.723 -2.610 -18.752 73 HB2 LEU 12 HB2 LEU 12 0.055 -2.005 -17.756 74 HB3 LEU 12 HB3 LEU 12 -0.580 -1.702 -19.372 75 HG LEU 12 HG LEU 12 -1.393 -0.295 -16.830 76 HD11 LEU 12 HD11 LEU 12 -0.253 1.103 -19.180 77 HD12 LEU 12 HD12 LEU 12 0.850 0.153 -18.185 78 HD13 LEU 12 HD13 LEU 12 -0.093 1.455 -17.459 79 HD21 LEU 12 HD21 LEU 12 -2.432 1.151 -18.881 80 HD22 LEU 12 HD22 LEU 12 -3.337 -0.014 -17.915 81 HD23 LEU 12 HD23 LEU 12 -2.657 -0.496 -19.470 82 H TYR 13 H TYR 13 -1.047 -4.607 -16.529 83 HA TYR 13 HA TYR 13 -0.199 -6.398 -18.707 84 HB2 TYR 13 HB2 TYR 13 0.943 -5.777 -16.030 85 HB3 TYR 13 HB3 TYR 13 1.111 -7.427 -16.621 86 HD1 TYR 13 HD2 TYR 13 2.492 -7.919 -18.563 87 HD2 TYR 13 HD1 TYR 13 2.095 -3.937 -17.117 88 HE1 TYR 13 HE2 TYR 13 4.431 -7.241 -19.915 89 HE2 TYR 13 HE1 TYR 13 4.032 -3.247 -18.467 90 HH TYR 13 HH TYR 13 6.009 -4.261 -19.503 91 H GLY 14 H GLY 14 -2.867 -6.070 -17.258 92 HA2 GLY 14 HA2 GLY 14 -4.556 -7.435 -16.515 93 HA3 GLY 14 HA3 GLY 14 -3.691 -8.729 -17.331 94 H THR 15 H THR 15 -2.130 -6.980 -14.781 95 HA THR 15 HA THR 15 -2.448 -9.330 -13.030 96 HB THR 15 HB THR 15 -0.265 -8.960 -12.141 97 HG1 THR 15 HG1 THR 15 0.895 -7.132 -12.519 98 HG21 THR 15 HG21 THR 15 -0.646 -9.812 -14.649 99 HG22 THR 15 HG22 THR 15 0.955 -9.692 -13.918 100 HG23 THR 15 HG23 THR 15 0.373 -8.413 -14.983 101 H LYS 16 H LYS 16 -3.436 -9.013 -11.150 102 HA LYS 16 HA LYS 16 -3.929 -6.264 -10.268 103 HB2 LYS 16 HB2 LYS 16 -5.652 -7.289 -8.802 104 HB3 LYS 16 HB3 LYS 16 -5.914 -7.617 -10.510 105 HG2 LYS 16 HG2 LYS 16 -4.338 -9.726 -9.512 106 HG3 LYS 16 HG3 LYS 16 -5.634 -9.452 -8.346 107 HD2 LYS 16 HD2 LYS 16 -6.350 -9.495 -11.229 108 HD3 LYS 16 HD3 LYS 16 -5.945 -11.031 -10.459 109 HE2 LYS 16 HE2 LYS 16 -7.761 -10.962 -9.058 110 HE3 LYS 16 HE3 LYS 16 -7.847 -9.201 -9.081 111 HZ1 LYS 16 HZ1 LYS 16 -9.523 -9.494 -10.496 112 HZ2 LYS 16 HZ2 LYS 16 -9.134 -11.114 -10.789 113 HZ3 LYS 16 HZ3 LYS 16 -8.354 -9.887 -11.654 114 H GLY 17 H GLY 17 -2.599 -5.453 -8.791 115 HA2 GLY 17 HA2 GLY 17 -2.007 -6.917 -6.383 116 HA3 GLY 17 HA3 GLY 17 -0.603 -6.688 -7.415 117 HA PRO 18 HA PRO 18 -1.185 -3.008 -4.562 118 HB2 PRO 18 HB2 PRO 18 1.236 -3.198 -3.349 119 HB3 PRO 18 HB3 PRO 18 -0.204 -4.033 -2.754 120 HG2 PRO 18 HG2 PRO 18 2.050 -5.094 -4.413 121 HG3 PRO 18 HG3 PRO 18 1.227 -5.844 -3.033 122 HD2 PRO 18 HD2 PRO 18 0.673 -6.512 -5.598 123 HD3 PRO 18 HD3 PRO 18 -0.555 -6.546 -4.315 124 H GLY 19 H GLY 19 0.553 -1.191 -4.280 125 HA2 GLY 19 HA2 GLY 19 1.979 -0.902 -6.854 126 HA3 GLY 19 HA3 GLY 19 1.109 0.423 -6.094 127 H CYS 20 H CYS 20 3.944 0.185 -6.872 128 HA CYS 20 HA CYS 20 5.571 -0.156 -4.596 129 HB2 CYS 20 HB2 CYS 20 6.093 1.557 -7.035 130 HB3 CYS 20 HB3 CYS 20 7.303 0.991 -5.889 131 H CYS 21 H CYS 21 6.143 1.173 -2.973 132 HA CYS 21 HA CYS 21 4.577 3.394 -2.314 133 HB2 CYS 21 HB2 CYS 21 7.314 2.588 -1.309 134 HB3 CYS 21 HB3 CYS 21 6.308 3.829 -0.568 135 H ASN 22 H ASN 22 7.857 3.227 -3.665 136 HA ASN 22 HA ASN 22 7.481 5.793 -4.943 137 HB2 ASN 22 HB2 ASN 22 9.596 5.396 -2.818 138 HB3 ASN 22 HB3 ASN 22 9.593 6.733 -3.964 139 HD21 ASN 22 HD21 ASN 22 8.863 5.947 -0.913 140 HD22 ASN 22 HD22 ASN 22 7.606 7.088 -0.589 141 H GLY 23 H GLY 23 8.007 5.217 -6.956 142 HA2 GLY 23 HA2 GLY 23 10.457 4.925 -7.995 143 HA3 GLY 23 HA3 GLY 23 10.126 3.290 -7.443 144 H LYS 24 H LYS 24 9.565 2.047 -9.091 145 HA LYS 24 HA LYS 24 7.313 2.710 -10.734 146 HB2 LYS 24 HB2 LYS 24 10.081 2.988 -11.785 147 HB3 LYS 24 HB3 LYS 24 8.895 2.228 -12.838 148 HG2 LYS 24 HG2 LYS 24 7.442 4.303 -12.251 149 HG3 LYS 24 HG3 LYS 24 8.989 5.022 -11.797 150 HD2 LYS 24 HD2 LYS 24 9.225 3.686 -14.329 151 HD3 LYS 24 HD3 LYS 24 7.875 4.821 -14.368 152 HE2 LYS 24 HE2 LYS 24 10.704 5.457 -13.535 153 HE3 LYS 24 HE3 LYS 24 9.959 5.885 -15.075 154 HZ1 LYS 24 HZ1 LYS 24 9.237 7.735 -14.130 155 HZ2 LYS 24 HZ2 LYS 24 9.857 7.272 -12.626 156 HZ3 LYS 24 HZ3 LYS 24 8.286 6.826 -13.067 157 H CYS 25 H CYS 25 6.455 0.924 -11.787 158 HA CYS 25 HA CYS 25 7.429 -1.632 -10.823 159 HB2 CYS 25 HB2 CYS 25 4.926 -0.677 -12.162 160 HB3 CYS 25 HB3 CYS 25 5.315 -2.394 -12.189 161 H ILE 26 H ILE 26 8.300 -3.241 -12.033 162 HA ILE 26 HA ILE 26 8.674 -2.713 -14.908 163 HB ILE 26 HB ILE 26 10.692 -3.974 -13.048 164 HG12 ILE 26 HG12 ILE 26 10.688 -1.284 -14.433 165 HG13 ILE 26 HG13 ILE 26 10.514 -1.558 -12.703 166 HG21 ILE 26 HG21 ILE 26 11.692 -4.791 -14.851 167 HG22 ILE 26 HG22 ILE 26 10.355 -4.207 -15.840 168 HG23 ILE 26 HG23 ILE 26 11.764 -3.181 -15.567 169 HD11 ILE 26 HD11 ILE 26 12.935 -1.850 -14.425 170 HD12 ILE 26 HD12 ILE 26 12.729 -0.948 -12.923 171 HD13 ILE 26 HD13 ILE 26 12.812 -2.709 -12.890 172 H CYS 27 H CYS 27 7.265 -4.107 -15.808 173 HA CYS 27 HA CYS 27 7.168 -6.866 -14.825 174 HB2 CYS 27 HB2 CYS 27 5.111 -5.273 -15.397 175 HB3 CYS 27 HB3 CYS 27 5.382 -5.917 -17.013 176 H ARG 28 H ARG 28 7.796 -8.589 -16.026 177 HA ARG 28 HA ARG 28 8.587 -8.165 -18.811 178 HB2 ARG 28 HB2 ARG 28 10.415 -9.577 -16.873 179 HB3 ARG 28 HB3 ARG 28 10.759 -9.095 -18.528 180 HG2 ARG 28 HG2 ARG 28 10.186 -6.697 -17.420 181 HG3 ARG 28 HG3 ARG 28 10.891 -7.544 -16.041 182 HD2 ARG 28 HD2 ARG 28 12.951 -7.619 -16.971 183 HD3 ARG 28 HD3 ARG 28 12.322 -7.827 -18.605 184 HE ARG 28 HE ARG 28 13.073 -5.376 -17.359 185 HH11 ARG 28 HH11 ARG 28 10.872 -6.787 -19.658 186 HH12 ARG 28 HH12 ARG 28 10.660 -5.319 -20.553 187 HH21 ARG 28 HH21 ARG 28 12.802 -3.437 -18.529 188 HH22 ARG 28 HH22 ARG 28 11.758 -3.414 -19.910 189 H THR 29 H THR 29 8.334 -9.932 -20.112 190 HA THR 29 HA THR 29 6.910 -12.189 -18.929 191 HB THR 29 HB THR 29 6.811 -12.758 -21.542 192 HG1 THR 29 HG1 THR 29 6.862 -9.917 -21.543 193 HG21 THR 29 HG21 THR 29 4.660 -11.608 -21.621 194 HG22 THR 29 HG22 THR 29 5.109 -10.647 -20.211 195 HG23 THR 29 HG23 THR 29 4.888 -12.389 -20.057 196 H VAL 30 H VAL 30 7.799 -14.129 -18.638 197 HA VAL 30 HA VAL 30 10.079 -14.953 -20.265 198 HB VAL 30 HB VAL 30 10.182 -14.432 -17.341 199 HG11 VAL 30 HG11 VAL 30 12.133 -16.107 -17.265 200 HG12 VAL 30 HG12 VAL 30 10.488 -16.735 -17.144 201 HG13 VAL 30 HG13 VAL 30 11.365 -16.844 -18.671 202 HG21 VAL 30 HG21 VAL 30 12.159 -13.415 -17.828 203 HG22 VAL 30 HG22 VAL 30 12.563 -14.559 -19.107 204 HG23 VAL 30 HG23 VAL 30 11.390 -13.277 -19.408 205 HA PRO 31 HA PRO 31 7.438 -18.554 -20.443 206 HB2 PRO 31 HB2 PRO 31 10.049 -19.698 -21.321 207 HB3 PRO 31 HB3 PRO 31 8.453 -19.833 -22.068 208 HG2 PRO 31 HG2 PRO 31 10.324 -18.189 -23.058 209 HG3 PRO 31 HG3 PRO 31 8.603 -17.763 -23.081 210 HD2 PRO 31 HD2 PRO 31 10.791 -16.714 -21.395 211 HD3 PRO 31 HD3 PRO 31 9.298 -15.926 -21.945 212 H ARG 32 H ARG 32 10.744 -18.652 -19.136 213 HA ARG 32 HA ARG 32 10.349 -21.029 -17.629 214 HB2 ARG 32 HB2 ARG 32 12.410 -18.832 -17.395 215 HB3 ARG 32 HB3 ARG 32 12.455 -20.324 -16.466 216 HG2 ARG 32 HG2 ARG 32 12.175 -20.810 -19.311 217 HG3 ARG 32 HG3 ARG 32 13.626 -19.884 -18.920 218 HD2 ARG 32 HD2 ARG 32 14.545 -21.586 -17.689 219 HD3 ARG 32 HD3 ARG 32 12.976 -22.272 -17.269 220 HE ARG 32 HE ARG 32 13.368 -22.559 -20.027 221 HH11 ARG 32 HH11 ARG 32 14.644 -23.754 -17.017 222 HH12 ARG 32 HH12 ARG 32 15.125 -25.283 -17.677 223 HH21 ARG 32 HH21 ARG 32 13.996 -24.567 -20.908 224 HH22 ARG 32 HH22 ARG 32 14.756 -25.743 -19.891 225 H LYS 33 H LYS 33 8.328 -20.560 -16.576 226 HA LYS 33 HA LYS 33 6.989 -19.822 -14.879 227 HB2 LYS 33 HB2 LYS 33 8.866 -21.190 -13.759 228 HB3 LYS 33 HB3 LYS 33 9.502 -19.636 -13.235 229 HG2 LYS 33 HG2 LYS 33 6.994 -19.336 -12.404 230 HG3 LYS 33 HG3 LYS 33 7.087 -21.098 -12.350 231 HD2 LYS 33 HD2 LYS 33 9.021 -20.988 -10.902 232 HD3 LYS 33 HD3 LYS 33 9.056 -19.228 -11.032 233 HE2 LYS 33 HE2 LYS 33 7.513 -18.992 -9.439 234 HE3 LYS 33 HE3 LYS 33 6.464 -20.204 -10.174 235 HZ1 LYS 33 HZ1 LYS 33 6.974 -21.481 -8.449 236 HZ2 LYS 33 HZ2 LYS 33 8.211 -20.448 -7.934 237 HZ3 LYS 33 HZ3 LYS 33 8.530 -21.636 -9.095 238 H GLY 34 H GLY 34 7.370 -17.750 -16.481 239 HA2 GLY 34 HA2 GLY 34 7.643 -15.511 -14.599 240 HA3 GLY 34 HA3 GLY 34 8.546 -15.465 -16.106 241 H VAL 35 H VAL 35 5.205 -16.121 -15.036 242 HA VAL 35 HA VAL 35 4.107 -15.108 -17.487 243 HB VAL 35 HB VAL 35 2.906 -16.865 -16.377 244 HG11 VAL 35 HG11 VAL 35 2.954 -17.001 -14.160 245 HG12 VAL 35 HG12 VAL 35 3.500 -15.329 -14.021 246 HG13 VAL 35 HG13 VAL 35 1.775 -15.691 -14.102 247 HG21 VAL 35 HG21 VAL 35 1.738 -14.675 -17.387 248 HG22 VAL 35 HG22 VAL 35 0.828 -16.055 -16.771 249 HG23 VAL 35 HG23 VAL 35 1.071 -14.634 -15.754 250 H ASN 36 H ASN 36 5.088 -12.976 -17.427 251 HA ASN 36 HA ASN 36 4.954 -10.720 -17.177 252 HB2 ASN 36 HB2 ASN 36 2.305 -11.220 -15.806 253 HB3 ASN 36 HB3 ASN 36 2.838 -9.731 -16.581 254 HD21 ASN 36 HD21 ASN 36 0.454 -10.924 -17.236 255 HD22 ASN 36 HD22 ASN 36 0.544 -11.541 -18.848 256 H SER 37 H SER 37 6.693 -11.487 -15.534 257 HA SER 37 HA SER 37 6.028 -11.163 -12.756 258 HB2 SER 37 HB2 SER 37 8.489 -11.769 -14.318 259 HB3 SER 37 HB3 SER 37 8.702 -11.074 -12.711 260 HG SER 37 HG SER 37 8.630 -13.349 -12.631 261 H CYS 38 H CYS 38 5.433 -9.188 -12.108 262 HA CYS 38 HA CYS 38 6.989 -6.871 -13.035 263 HB2 CYS 38 HB2 CYS 38 4.411 -6.636 -11.521 264 HB3 CYS 38 HB3 CYS 38 5.119 -5.526 -12.690 265 H ARG 39 H ARG 39 8.635 -6.493 -11.690 266 HA ARG 39 HA ARG 39 8.153 -6.679 -8.793 267 HB2 ARG 39 HB2 ARG 39 10.852 -6.529 -10.125 268 HB3 ARG 39 HB3 ARG 39 10.477 -7.048 -8.487 269 HG2 ARG 39 HG2 ARG 39 9.037 -8.758 -10.170 270 HG3 ARG 39 HG3 ARG 39 10.637 -8.592 -10.898 271 HD2 ARG 39 HD2 ARG 39 9.952 -9.505 -8.113 272 HD3 ARG 39 HD3 ARG 39 10.740 -10.428 -9.392 273 HE ARG 39 HE ARG 39 12.252 -8.122 -8.724 274 HH11 ARG 39 HH11 ARG 39 11.445 -11.317 -7.602 275 HH12 ARG 39 HH12 ARG 39 12.918 -11.518 -6.711 276 HH21 ARG 39 HH21 ARG 39 14.194 -8.374 -7.556 277 HH22 ARG 39 HH22 ARG 39 14.481 -9.842 -6.685 278 H CYS 40 H CYS 40 9.045 -5.036 -7.418 279 HA CYS 40 HA CYS 40 8.702 -2.400 -8.515 280 HB2 CYS 40 HB2 CYS 40 9.091 -3.558 -5.795 281 HB3 CYS 40 HB3 CYS 40 9.479 -1.857 -6.030 282 H MET 41 H MET 41 10.232 -1.088 -9.260 283 HA MET 41 HA MET 41 12.933 -1.197 -8.233 284 HB2 MET 41 HB2 MET 41 12.197 -2.440 -10.761 285 HB3 MET 41 HB3 MET 41 13.430 -1.203 -10.966 286 HG2 MET 41 HG2 MET 41 14.957 -2.652 -10.309 287 HG3 MET 41 HG3 MET 41 14.185 -2.722 -8.726 288 HE1 MET 41 HE1 MET 41 14.573 -4.307 -12.233 289 HE2 MET 41 HE2 MET 41 15.721 -4.946 -11.056 290 HE3 MET 41 HE3 MET 41 14.496 -6.004 -11.758 Start of MODEL 18 1 H1 CYS 1 H CYS 1 1.596 0.274 1.304 2 HA CYS 1 HA CYS 1 1.244 -0.056 -1.539 3 HB2 CYS 1 HB2 CYS 1 3.300 1.429 -1.987 4 HB3 CYS 1 HB3 CYS 1 1.754 2.227 -1.715 5 H ALA 2 H ALA 2 3.251 -0.913 -2.569 6 HA ALA 2 HA ALA 2 4.534 -2.777 -0.734 7 HB1 ALA 2 HB1 ALA 2 5.152 -4.039 -2.641 8 HB2 ALA 2 HB2 ALA 2 3.494 -3.502 -2.912 9 HB3 ALA 2 HB3 ALA 2 4.828 -2.687 -3.727 10 H SER 3 H SER 3 6.876 -3.237 -1.029 11 HA SER 3 HA SER 3 8.346 -0.707 -1.295 12 HB2 SER 3 HB2 SER 3 10.143 -2.306 -0.106 13 HB3 SER 3 HB3 SER 3 8.925 -1.413 0.804 14 HG SER 3 HG SER 3 8.335 -3.305 1.488 15 H LYS 4 H LYS 4 10.690 -1.014 -2.003 16 HA LYS 4 HA LYS 4 10.744 -1.939 -4.641 17 HB2 LYS 4 HB2 LYS 4 12.277 -0.226 -3.786 18 HB3 LYS 4 HB3 LYS 4 13.063 -1.426 -2.768 19 HG2 LYS 4 HG2 LYS 4 13.627 -2.672 -4.892 20 HG3 LYS 4 HG3 LYS 4 13.094 -1.233 -5.765 21 HD2 LYS 4 HD2 LYS 4 14.837 0.062 -4.950 22 HD3 LYS 4 HD3 LYS 4 15.106 -0.995 -3.563 23 HE2 LYS 4 HE2 LYS 4 16.694 -2.060 -4.689 24 HE3 LYS 4 HE3 LYS 4 15.511 -2.531 -5.908 25 HZ1 LYS 4 HZ1 LYS 4 17.659 -0.905 -6.306 26 HZ2 LYS 4 HZ2 LYS 4 16.368 0.182 -6.205 27 HZ3 LYS 4 HZ3 LYS 4 16.333 -1.067 -7.345 28 H ASN 5 H ASN 5 11.534 -3.773 -5.613 29 HA ASN 5 HA ASN 5 12.333 -5.908 -5.835 30 HB2 ASN 5 HB2 ASN 5 13.854 -5.109 -3.831 31 HB3 ASN 5 HB3 ASN 5 12.823 -6.189 -2.897 32 HD21 ASN 5 HD21 ASN 5 13.592 -8.149 -2.678 33 HD22 ASN 5 HD22 ASN 5 14.608 -8.982 -3.801 34 H GLU 6 H GLU 6 9.716 -4.888 -4.186 35 HA GLU 6 HA GLU 6 8.764 -7.575 -3.491 36 HB2 GLU 6 HB2 GLU 6 7.417 -4.935 -2.914 37 HB3 GLU 6 HB3 GLU 6 7.028 -6.503 -2.221 38 HG2 GLU 6 HG2 GLU 6 9.719 -6.100 -1.628 39 HG3 GLU 6 HG3 GLU 6 8.946 -4.539 -1.360 40 H ARG 7 H ARG 7 6.643 -8.250 -4.169 41 HA ARG 7 HA ARG 7 6.172 -7.761 -6.927 42 HB2 ARG 7 HB2 ARG 7 4.196 -9.232 -6.610 43 HB3 ARG 7 HB3 ARG 7 5.685 -9.932 -5.991 44 HG2 ARG 7 HG2 ARG 7 4.584 -8.560 -3.832 45 HG3 ARG 7 HG3 ARG 7 3.222 -9.355 -4.623 46 HD2 ARG 7 HD2 ARG 7 4.392 -11.489 -4.521 47 HD3 ARG 7 HD3 ARG 7 5.784 -10.703 -3.778 48 HE ARG 7 HE ARG 7 3.545 -10.166 -2.200 49 HH11 ARG 7 HH11 ARG 7 5.506 -12.878 -3.160 50 HH12 ARG 7 HH12 ARG 7 5.213 -13.772 -1.705 51 HH21 ARG 7 HH21 ARG 7 3.152 -11.333 -0.280 52 HH22 ARG 7 HH22 ARG 7 3.873 -12.892 -0.068 53 H CYS 8 H CYS 8 4.854 -6.360 -7.912 54 HA CYS 8 HA CYS 8 2.906 -4.887 -6.264 55 HB2 CYS 8 HB2 CYS 8 3.396 -2.960 -7.920 56 HB3 CYS 8 HB3 CYS 8 4.558 -3.274 -6.635 57 H GLY 9 H GLY 9 1.416 -3.565 -7.900 58 HA2 GLY 9 HA2 GLY 9 0.441 -5.561 -9.845 59 HA3 GLY 9 HA3 GLY 9 -0.592 -4.439 -8.972 60 H ASN 10 H ASN 10 -0.779 -4.664 -11.702 61 HA ASN 10 HA ASN 10 -0.308 -1.961 -12.507 62 HB2 ASN 10 HB2 ASN 10 1.929 -2.986 -12.914 63 HB3 ASN 10 HB3 ASN 10 1.169 -4.123 -14.024 64 HD21 ASN 10 HD21 ASN 10 3.195 -2.526 -14.877 65 HD22 ASN 10 HD22 ASN 10 2.589 -1.337 -15.974 66 H ALA 11 H ALA 11 -2.200 -1.511 -13.408 67 HA ALA 11 HA ALA 11 -3.992 -3.408 -14.444 68 HB1 ALA 11 HB1 ALA 11 -4.417 -1.003 -13.601 69 HB2 ALA 11 HB2 ALA 11 -4.073 -0.532 -15.266 70 HB3 ALA 11 HB3 ALA 11 -5.406 -1.633 -14.919 71 H LEU 12 H LEU 12 -1.461 -1.518 -15.947 72 HA LEU 12 HA LEU 12 -2.215 -1.791 -18.630 73 HB2 LEU 12 HB2 LEU 12 -0.285 -0.447 -17.436 74 HB3 LEU 12 HB3 LEU 12 0.663 -1.867 -17.873 75 HG LEU 12 HG LEU 12 -0.512 -1.275 -20.249 76 HD11 LEU 12 HD11 LEU 12 0.339 1.431 -19.527 77 HD12 LEU 12 HD12 LEU 12 -1.174 0.918 -18.779 78 HD13 LEU 12 HD13 LEU 12 -1.004 0.890 -20.535 79 HD21 LEU 12 HD21 LEU 12 1.831 -1.765 -19.936 80 HD22 LEU 12 HD22 LEU 12 2.081 -0.216 -19.130 81 HD23 LEU 12 HD23 LEU 12 1.661 -0.262 -20.843 82 H TYR 13 H TYR 13 -0.955 -4.078 -16.400 83 HA TYR 13 HA TYR 13 -0.439 -5.977 -18.593 84 HB2 TYR 13 HB2 TYR 13 0.832 -5.578 -15.928 85 HB3 TYR 13 HB3 TYR 13 0.719 -7.223 -16.543 86 HD1 TYR 13 HD2 TYR 13 2.032 -3.843 -17.312 87 HD2 TYR 13 HD1 TYR 13 2.198 -7.999 -18.209 88 HE1 TYR 13 HE2 TYR 13 4.036 -3.460 -18.685 89 HE2 TYR 13 HE1 TYR 13 4.203 -7.628 -19.584 90 HH TYR 13 HH TYR 13 5.983 -4.760 -19.502 91 H GLY 14 H GLY 14 -3.009 -5.230 -17.201 92 HA2 GLY 14 HA2 GLY 14 -4.880 -6.274 -16.372 93 HA3 GLY 14 HA3 GLY 14 -4.280 -7.682 -17.236 94 H THR 15 H THR 15 -2.587 -6.142 -14.577 95 HA THR 15 HA THR 15 -3.151 -8.521 -12.928 96 HB THR 15 HB THR 15 -0.846 -7.791 -11.853 97 HG1 THR 15 HG1 THR 15 -0.616 -6.900 -14.554 98 HG21 THR 15 HG21 THR 15 -1.558 -9.919 -13.173 99 HG22 THR 15 HG22 THR 15 0.157 -9.558 -12.975 100 HG23 THR 15 HG23 THR 15 -0.654 -9.185 -14.496 101 H LYS 16 H LYS 16 -4.148 -8.127 -11.070 102 HA LYS 16 HA LYS 16 -4.292 -5.370 -10.098 103 HB2 LYS 16 HB2 LYS 16 -5.949 -7.831 -9.589 104 HB3 LYS 16 HB3 LYS 16 -6.086 -6.403 -8.572 105 HG2 LYS 16 HG2 LYS 16 -6.964 -5.108 -10.291 106 HG3 LYS 16 HG3 LYS 16 -6.374 -6.202 -11.544 107 HD2 LYS 16 HD2 LYS 16 -8.129 -7.614 -9.769 108 HD3 LYS 16 HD3 LYS 16 -8.924 -6.151 -10.354 109 HE2 LYS 16 HE2 LYS 16 -8.251 -6.834 -12.674 110 HE3 LYS 16 HE3 LYS 16 -7.717 -8.370 -11.995 111 HZ1 LYS 16 HZ1 LYS 16 -10.474 -7.335 -11.670 112 HZ2 LYS 16 HZ2 LYS 16 -9.910 -8.895 -11.343 113 HZ3 LYS 16 HZ3 LYS 16 -10.017 -8.353 -12.941 114 H GLY 17 H GLY 17 -2.367 -5.096 -9.006 115 HA2 GLY 17 HA2 GLY 17 -2.099 -6.713 -6.552 116 HA3 GLY 17 HA3 GLY 17 -0.698 -6.367 -7.555 117 HA PRO 18 HA PRO 18 -1.310 -3.067 -4.248 118 HB2 PRO 18 HB2 PRO 18 1.015 -3.519 -2.921 119 HB3 PRO 18 HB3 PRO 18 -0.495 -4.346 -2.521 120 HG2 PRO 18 HG2 PRO 18 1.818 -5.313 -4.156 121 HG3 PRO 18 HG3 PRO 18 0.875 -6.180 -2.930 122 HD2 PRO 18 HD2 PRO 18 0.465 -6.511 -5.586 123 HD3 PRO 18 HD3 PRO 18 -0.846 -6.636 -4.395 124 H GLY 19 H GLY 19 -0.379 -1.057 -4.367 125 HA2 GLY 19 HA2 GLY 19 1.263 -0.501 -6.632 126 HA3 GLY 19 HA3 GLY 19 0.749 0.656 -5.413 127 H CYS 20 H CYS 20 2.768 1.655 -5.328 128 HA CYS 20 HA CYS 20 4.697 0.268 -3.654 129 HB2 CYS 20 HB2 CYS 20 5.208 1.071 -6.481 130 HB3 CYS 20 HB3 CYS 20 6.506 1.295 -5.311 131 H CYS 21 H CYS 21 5.757 1.611 -2.282 132 HA CYS 21 HA CYS 21 4.789 4.268 -1.983 133 HB2 CYS 21 HB2 CYS 21 7.214 3.079 -0.632 134 HB3 CYS 21 HB3 CYS 21 6.200 4.396 -0.053 135 H ASN 22 H ASN 22 7.591 2.852 -3.488 136 HA ASN 22 HA ASN 22 8.225 5.323 -4.794 137 HB2 ASN 22 HB2 ASN 22 10.647 5.264 -3.947 138 HB3 ASN 22 HB3 ASN 22 9.426 5.904 -2.851 139 HD21 ASN 22 HD21 ASN 22 11.041 5.431 -1.218 140 HD22 ASN 22 HD22 ASN 22 11.132 3.835 -0.564 141 H GLY 23 H GLY 23 8.955 4.862 -6.770 142 HA2 GLY 23 HA2 GLY 23 10.603 3.706 -8.152 143 HA3 GLY 23 HA3 GLY 23 10.313 2.272 -7.178 144 H LYS 24 H LYS 24 10.112 2.742 -10.105 145 HA LYS 24 HA LYS 24 7.272 2.477 -10.650 146 HB2 LYS 24 HB2 LYS 24 9.742 2.745 -12.314 147 HB3 LYS 24 HB3 LYS 24 8.292 2.073 -13.048 148 HG2 LYS 24 HG2 LYS 24 7.133 4.183 -12.085 149 HG3 LYS 24 HG3 LYS 24 8.776 4.823 -11.991 150 HD2 LYS 24 HD2 LYS 24 8.956 4.044 -14.457 151 HD3 LYS 24 HD3 LYS 24 7.192 4.018 -14.404 152 HE2 LYS 24 HE2 LYS 24 7.318 6.182 -14.955 153 HE3 LYS 24 HE3 LYS 24 7.781 6.443 -13.274 154 HZ1 LYS 24 HZ1 LYS 24 9.985 6.663 -13.820 155 HZ2 LYS 24 HZ2 LYS 24 9.256 7.359 -15.178 156 HZ3 LYS 24 HZ3 LYS 24 9.849 5.777 -15.255 157 H CYS 25 H CYS 25 6.258 0.643 -11.414 158 HA CYS 25 HA CYS 25 7.421 -1.855 -10.610 159 HB2 CYS 25 HB2 CYS 25 4.900 -1.031 -10.616 160 HB3 CYS 25 HB3 CYS 25 4.914 -1.740 -12.227 161 H ILE 26 H ILE 26 8.082 -3.552 -11.879 162 HA ILE 26 HA ILE 26 8.267 -3.033 -14.774 163 HB ILE 26 HB ILE 26 10.472 -2.728 -13.892 164 HG12 ILE 26 HG12 ILE 26 10.902 -5.487 -14.808 165 HG13 ILE 26 HG13 ILE 26 9.851 -4.541 -15.856 166 HG21 ILE 26 HG21 ILE 26 9.671 -4.692 -12.017 167 HG22 ILE 26 HG22 ILE 26 11.113 -5.290 -12.836 168 HG23 ILE 26 HG23 ILE 26 11.145 -3.723 -12.027 169 HD11 ILE 26 HD11 ILE 26 12.731 -4.346 -15.401 170 HD12 ILE 26 HD12 ILE 26 11.764 -3.890 -16.804 171 HD13 ILE 26 HD13 ILE 26 11.885 -2.799 -15.424 172 H CYS 27 H CYS 27 6.747 -4.369 -15.574 173 HA CYS 27 HA CYS 27 6.456 -7.066 -14.520 174 HB2 CYS 27 HB2 CYS 27 4.935 -5.646 -16.717 175 HB3 CYS 27 HB3 CYS 27 4.526 -7.218 -16.038 176 H ARG 28 H ARG 28 7.499 -8.747 -15.338 177 HA ARG 28 HA ARG 28 8.646 -8.514 -18.037 178 HB2 ARG 28 HB2 ARG 28 10.210 -8.851 -16.093 179 HB3 ARG 28 HB3 ARG 28 9.472 -10.429 -15.853 180 HG2 ARG 28 HG2 ARG 28 11.577 -10.569 -17.091 181 HG3 ARG 28 HG3 ARG 28 10.208 -11.141 -18.047 182 HD2 ARG 28 HD2 ARG 28 10.354 -9.431 -19.528 183 HD3 ARG 28 HD3 ARG 28 10.892 -8.279 -18.307 184 HE ARG 28 HE ARG 28 12.949 -10.118 -18.716 185 HH11 ARG 28 HH11 ARG 28 11.266 -7.621 -20.464 186 HH12 ARG 28 HH12 ARG 28 12.623 -7.227 -21.467 187 HH21 ARG 28 HH21 ARG 28 14.742 -9.609 -20.031 188 HH22 ARG 28 HH22 ARG 28 14.599 -8.359 -21.220 189 H THR 29 H THR 29 8.719 -10.472 -19.347 190 HA THR 29 HA THR 29 6.752 -12.525 -18.679 191 HB THR 29 HB THR 29 6.061 -12.224 -21.252 192 HG1 THR 29 HG1 THR 29 6.902 -10.373 -21.896 193 HG21 THR 29 HG21 THR 29 4.952 -10.949 -18.775 194 HG22 THR 29 HG22 THR 29 4.349 -12.340 -19.677 195 HG23 THR 29 HG23 THR 29 4.166 -10.714 -20.335 196 H VAL 30 H VAL 30 8.090 -14.237 -18.715 197 HA VAL 30 HA VAL 30 9.273 -14.983 -21.257 198 HB VAL 30 HB VAL 30 11.483 -15.473 -20.298 199 HG11 VAL 30 HG11 VAL 30 10.662 -12.589 -19.970 200 HG12 VAL 30 HG12 VAL 30 12.308 -13.181 -20.207 201 HG13 VAL 30 HG13 VAL 30 11.110 -13.367 -21.488 202 HG21 VAL 30 HG21 VAL 30 10.546 -13.934 -17.880 203 HG22 VAL 30 HG22 VAL 30 10.714 -15.689 -17.946 204 HG23 VAL 30 HG23 VAL 30 12.135 -14.659 -18.128 205 HA PRO 31 HA PRO 31 7.803 -18.995 -20.241 206 HB2 PRO 31 HB2 PRO 31 10.423 -19.876 -21.364 207 HB3 PRO 31 HB3 PRO 31 8.787 -20.415 -21.765 208 HG2 PRO 31 HG2 PRO 31 10.141 -18.747 -23.368 209 HG3 PRO 31 HG3 PRO 31 8.387 -18.610 -23.149 210 HD2 PRO 31 HD2 PRO 31 10.563 -16.898 -22.118 211 HD3 PRO 31 HD3 PRO 31 8.882 -16.488 -22.516 212 H ARG 32 H ARG 32 11.051 -17.983 -19.360 213 HA ARG 32 HA ARG 32 11.540 -20.128 -17.542 214 HB2 ARG 32 HB2 ARG 32 13.387 -18.901 -18.552 215 HB3 ARG 32 HB3 ARG 32 12.843 -17.413 -17.790 216 HG2 ARG 32 HG2 ARG 32 13.481 -18.135 -15.659 217 HG3 ARG 32 HG3 ARG 32 13.602 -19.819 -16.173 218 HD2 ARG 32 HD2 ARG 32 15.396 -18.688 -17.831 219 HD3 ARG 32 HD3 ARG 32 15.528 -17.600 -16.451 220 HE ARG 32 HE ARG 32 16.513 -19.289 -15.245 221 HH11 ARG 32 HH11 ARG 32 15.120 -20.591 -18.157 222 HH12 ARG 32 HH12 ARG 32 15.856 -22.148 -17.969 223 HH21 ARG 32 HH21 ARG 32 17.487 -21.335 -14.985 224 HH22 ARG 32 HH22 ARG 32 17.202 -22.570 -16.164 225 H LYS 33 H LYS 33 9.421 -19.977 -16.447 226 HA LYS 33 HA LYS 33 8.043 -19.348 -14.737 227 HB2 LYS 33 HB2 LYS 33 10.809 -18.999 -13.621 228 HB3 LYS 33 HB3 LYS 33 9.398 -18.643 -12.635 229 HG2 LYS 33 HG2 LYS 33 8.602 -20.918 -12.907 230 HG3 LYS 33 HG3 LYS 33 9.970 -21.286 -13.960 231 HD2 LYS 33 HD2 LYS 33 10.683 -20.153 -11.342 232 HD3 LYS 33 HD3 LYS 33 9.919 -21.743 -11.283 233 HE2 LYS 33 HE2 LYS 33 12.055 -22.439 -11.563 234 HE3 LYS 33 HE3 LYS 33 11.667 -22.175 -13.263 235 HZ1 LYS 33 HZ1 LYS 33 12.691 -20.017 -13.158 236 HZ2 LYS 33 HZ2 LYS 33 13.792 -21.176 -12.607 237 HZ3 LYS 33 HZ3 LYS 33 12.986 -20.182 -11.500 238 H GLY 34 H GLY 34 8.208 -17.363 -16.649 239 HA2 GLY 34 HA2 GLY 34 8.172 -14.916 -14.991 240 HA3 GLY 34 HA3 GLY 34 8.708 -14.922 -16.664 241 H VAL 35 H VAL 35 5.874 -16.279 -14.979 242 HA VAL 35 HA VAL 35 4.151 -15.477 -17.151 243 HB VAL 35 HB VAL 35 2.333 -16.421 -15.665 244 HG11 VAL 35 HG11 VAL 35 2.799 -18.067 -17.105 245 HG12 VAL 35 HG12 VAL 35 4.541 -17.818 -16.967 246 HG13 VAL 35 HG13 VAL 35 3.692 -18.799 -15.772 247 HG21 VAL 35 HG21 VAL 35 4.352 -16.232 -13.726 248 HG22 VAL 35 HG22 VAL 35 2.742 -16.927 -13.539 249 HG23 VAL 35 HG23 VAL 35 4.098 -17.955 -14.001 250 H ASN 36 H ASN 36 4.664 -13.152 -16.870 251 HA ASN 36 HA ASN 36 3.927 -11.057 -16.364 252 HB2 ASN 36 HB2 ASN 36 1.670 -12.449 -16.242 253 HB3 ASN 36 HB3 ASN 36 1.804 -12.072 -14.527 254 HD21 ASN 36 HD21 ASN 36 0.791 -10.989 -17.530 255 HD22 ASN 36 HD22 ASN 36 0.482 -9.340 -17.118 256 H SER 37 H SER 37 6.075 -11.534 -15.085 257 HA SER 37 HA SER 37 5.695 -11.377 -12.202 258 HB2 SER 37 HB2 SER 37 8.101 -11.633 -12.042 259 HB3 SER 37 HB3 SER 37 7.477 -12.829 -13.178 260 HG SER 37 HG SER 37 9.411 -11.281 -13.679 261 H CYS 38 H CYS 38 4.997 -9.393 -11.624 262 HA CYS 38 HA CYS 38 6.392 -7.044 -12.696 263 HB2 CYS 38 HB2 CYS 38 3.830 -7.172 -11.092 264 HB3 CYS 38 HB3 CYS 38 4.514 -5.737 -11.851 265 H ARG 39 H ARG 39 8.184 -6.698 -11.513 266 HA ARG 39 HA ARG 39 8.015 -6.876 -8.593 267 HB2 ARG 39 HB2 ARG 39 9.905 -7.882 -10.181 268 HB3 ARG 39 HB3 ARG 39 10.580 -6.271 -9.977 269 HG2 ARG 39 HG2 ARG 39 11.584 -7.538 -8.302 270 HG3 ARG 39 HG3 ARG 39 10.297 -6.661 -7.470 271 HD2 ARG 39 HD2 ARG 39 10.396 -9.014 -6.784 272 HD3 ARG 39 HD3 ARG 39 8.867 -8.620 -7.569 273 HE ARG 39 HE ARG 39 10.545 -9.588 -9.545 274 HH11 ARG 39 HH11 ARG 39 9.116 -10.749 -6.591 275 HH12 ARG 39 HH12 ARG 39 9.053 -12.399 -7.117 276 HH21 ARG 39 HH21 ARG 39 10.468 -11.756 -10.249 277 HH22 ARG 39 HH22 ARG 39 9.824 -12.971 -9.197 278 H CYS 40 H CYS 40 8.892 -5.174 -7.274 279 HA CYS 40 HA CYS 40 8.153 -2.567 -8.253 280 HB2 CYS 40 HB2 CYS 40 7.783 -3.549 -5.879 281 HB3 CYS 40 HB3 CYS 40 9.457 -3.082 -5.595 282 H MET 41 H MET 41 9.463 -1.057 -9.051 283 HA MET 41 HA MET 41 12.288 -1.040 -8.350 284 HB2 MET 41 HB2 MET 41 11.984 -2.483 -10.409 285 HB3 MET 41 HB3 MET 41 11.448 -1.033 -11.248 286 HG2 MET 41 HG2 MET 41 13.544 -0.506 -11.687 287 HG3 MET 41 HG3 MET 41 13.894 -0.428 -9.962 288 HE1 MET 41 HE1 MET 41 16.877 -2.628 -10.339 289 HE2 MET 41 HE2 MET 41 16.472 -1.094 -11.110 290 HE3 MET 41 HE3 MET 41 16.043 -1.373 -9.422 Start of MODEL 19 1 H1 CYS 1 H CYS 1 2.806 -0.084 2.123 2 HA CYS 1 HA CYS 1 2.000 0.216 -0.610 3 HB2 CYS 1 HB2 CYS 1 3.985 1.706 -1.177 4 HB3 CYS 1 HB3 CYS 1 2.626 2.490 -0.378 5 H ALA 2 H ALA 2 3.545 -0.691 -2.103 6 HA ALA 2 HA ALA 2 4.924 -2.935 -0.996 7 HB1 ALA 2 HB1 ALA 2 5.065 -1.926 -3.831 8 HB2 ALA 2 HB2 ALA 2 5.398 -3.559 -3.250 9 HB3 ALA 2 HB3 ALA 2 3.753 -2.925 -3.204 10 H SER 3 H SER 3 7.004 -3.145 -0.455 11 HA SER 3 HA SER 3 8.717 -0.848 -0.480 12 HB2 SER 3 HB2 SER 3 9.773 -3.567 0.161 13 HB3 SER 3 HB3 SER 3 10.077 -2.026 0.963 14 HG SER 3 HG SER 3 8.113 -3.893 1.417 15 H LYS 4 H LYS 4 11.085 -1.189 -1.169 16 HA LYS 4 HA LYS 4 11.146 -1.499 -3.970 17 HB2 LYS 4 HB2 LYS 4 12.700 -0.039 -2.757 18 HB3 LYS 4 HB3 LYS 4 13.438 -1.443 -1.997 19 HG2 LYS 4 HG2 LYS 4 13.958 -2.231 -4.371 20 HG3 LYS 4 HG3 LYS 4 13.570 -0.581 -4.864 21 HD2 LYS 4 HD2 LYS 4 15.350 0.325 -3.641 22 HD3 LYS 4 HD3 LYS 4 15.540 -1.136 -2.668 23 HE2 LYS 4 HE2 LYS 4 17.042 -1.917 -4.104 24 HE3 LYS 4 HE3 LYS 4 15.864 -1.824 -5.412 25 HZ1 LYS 4 HZ1 LYS 4 17.869 0.179 -4.592 26 HZ2 LYS 4 HZ2 LYS 4 16.503 0.639 -5.476 27 HZ3 LYS 4 HZ3 LYS 4 17.593 -0.479 -6.126 28 H ASN 5 H ASN 5 11.791 -3.144 -5.279 29 HA ASN 5 HA ASN 5 12.491 -5.217 -5.944 30 HB2 ASN 5 HB2 ASN 5 14.191 -4.830 -3.987 31 HB3 ASN 5 HB3 ASN 5 13.187 -5.999 -3.135 32 HD21 ASN 5 HD21 ASN 5 14.546 -7.692 -3.073 33 HD22 ASN 5 HD22 ASN 5 15.162 -8.502 -4.469 34 H GLU 6 H GLU 6 9.972 -4.469 -4.100 35 HA GLU 6 HA GLU 6 9.051 -7.163 -3.503 36 HB2 GLU 6 HB2 GLU 6 7.676 -4.497 -3.126 37 HB3 GLU 6 HB3 GLU 6 7.085 -6.045 -2.539 38 HG2 GLU 6 HG2 GLU 6 9.727 -4.877 -1.717 39 HG3 GLU 6 HG3 GLU 6 8.224 -4.587 -0.843 40 H ARG 7 H ARG 7 7.216 -8.118 -4.417 41 HA ARG 7 HA ARG 7 6.825 -7.537 -7.189 42 HB2 ARG 7 HB2 ARG 7 5.261 -9.430 -7.145 43 HB3 ARG 7 HB3 ARG 7 6.788 -9.836 -6.373 44 HG2 ARG 7 HG2 ARG 7 5.591 -9.204 -4.179 45 HG3 ARG 7 HG3 ARG 7 4.111 -9.372 -5.126 46 HD2 ARG 7 HD2 ARG 7 5.168 -11.655 -5.829 47 HD3 ARG 7 HD3 ARG 7 6.127 -11.440 -4.365 48 HE ARG 7 HE ARG 7 3.381 -12.182 -4.517 49 HH11 ARG 7 HH11 ARG 7 5.705 -10.452 -2.588 50 HH12 ARG 7 HH12 ARG 7 4.835 -10.673 -1.106 51 HH21 ARG 7 HH21 ARG 7 2.226 -12.481 -2.573 52 HH22 ARG 7 HH22 ARG 7 2.856 -11.829 -1.099 53 H CYS 8 H CYS 8 5.403 -6.195 -8.069 54 HA CYS 8 HA CYS 8 3.118 -5.306 -6.433 55 HB2 CYS 8 HB2 CYS 8 3.175 -3.229 -7.819 56 HB3 CYS 8 HB3 CYS 8 4.619 -3.465 -6.840 57 H GLY 9 H GLY 9 1.346 -4.321 -7.979 58 HA2 GLY 9 HA2 GLY 9 0.790 -6.409 -9.988 59 HA3 GLY 9 HA3 GLY 9 -0.439 -5.537 -9.085 60 H ASN 10 H ASN 10 -0.886 -5.597 -11.667 61 HA ASN 10 HA ASN 10 -0.702 -2.852 -12.450 62 HB2 ASN 10 HB2 ASN 10 1.529 -3.720 -13.158 63 HB3 ASN 10 HB3 ASN 10 0.707 -4.877 -14.202 64 HD21 ASN 10 HD21 ASN 10 2.531 -3.046 -15.169 65 HD22 ASN 10 HD22 ASN 10 1.710 -1.906 -16.174 66 H ALA 11 H ALA 11 -2.632 -2.431 -13.275 67 HA ALA 11 HA ALA 11 -4.510 -4.385 -13.989 68 HB1 ALA 11 HB1 ALA 11 -5.154 -2.156 -13.253 69 HB2 ALA 11 HB2 ALA 11 -4.465 -1.459 -14.720 70 HB3 ALA 11 HB3 ALA 11 -5.866 -2.525 -14.824 71 H LEU 12 H LEU 12 -2.183 -2.584 -15.899 72 HA LEU 12 HA LEU 12 -3.196 -3.114 -18.455 73 HB2 LEU 12 HB2 LEU 12 -1.194 -1.628 -17.585 74 HB3 LEU 12 HB3 LEU 12 -0.254 -3.058 -18.004 75 HG LEU 12 HG LEU 12 -1.670 -2.710 -20.284 76 HD11 LEU 12 HD11 LEU 12 -1.703 -0.157 -18.844 77 HD12 LEU 12 HD12 LEU 12 -2.708 -0.726 -20.176 78 HD13 LEU 12 HD13 LEU 12 -1.106 -0.064 -20.501 79 HD21 LEU 12 HD21 LEU 12 0.949 -1.413 -19.540 80 HD22 LEU 12 HD22 LEU 12 0.373 -1.680 -21.185 81 HD23 LEU 12 HD23 LEU 12 0.725 -3.056 -20.140 82 H TYR 13 H TYR 13 -1.573 -5.147 -16.192 83 HA TYR 13 HA TYR 13 -1.096 -7.188 -18.246 84 HB2 TYR 13 HB2 TYR 13 0.078 -6.607 -15.579 85 HB3 TYR 13 HB3 TYR 13 -0.027 -8.298 -16.055 86 HD1 TYR 13 HD2 TYR 13 1.204 -9.106 -18.036 87 HD2 TYR 13 HD1 TYR 13 1.629 -5.112 -16.631 88 HE1 TYR 13 HE2 TYR 13 3.254 -8.861 -19.371 89 HE2 TYR 13 HE1 TYR 13 3.680 -4.856 -17.964 90 HH TYR 13 HH TYR 13 4.579 -6.084 -20.212 91 H GLY 14 H GLY 14 -3.511 -6.270 -16.254 92 HA2 GLY 14 HA2 GLY 14 -5.490 -7.358 -15.748 93 HA3 GLY 14 HA3 GLY 14 -4.809 -8.832 -16.420 94 H THR 15 H THR 15 -2.984 -7.165 -14.019 95 HA THR 15 HA THR 15 -3.794 -9.184 -12.027 96 HB THR 15 HB THR 15 -1.486 -9.018 -11.107 97 HG1 THR 15 HG1 THR 15 -1.009 -7.532 -13.496 98 HG21 THR 15 HG21 THR 15 -2.150 -10.097 -13.780 99 HG22 THR 15 HG22 THR 15 -1.550 -10.922 -12.341 100 HG23 THR 15 HG23 THR 15 -0.437 -10.021 -13.370 101 H LYS 16 H LYS 16 -4.682 -8.386 -10.247 102 HA LYS 16 HA LYS 16 -4.421 -5.531 -9.679 103 HB2 LYS 16 HB2 LYS 16 -6.349 -7.670 -8.839 104 HB3 LYS 16 HB3 LYS 16 -6.221 -6.185 -7.906 105 HG2 LYS 16 HG2 LYS 16 -6.862 -4.865 -9.794 106 HG3 LYS 16 HG3 LYS 16 -6.794 -6.271 -10.859 107 HD2 LYS 16 HD2 LYS 16 -8.646 -7.295 -9.677 108 HD3 LYS 16 HD3 LYS 16 -8.677 -5.961 -8.520 109 HE2 LYS 16 HE2 LYS 16 -9.089 -4.439 -10.505 110 HE3 LYS 16 HE3 LYS 16 -9.365 -5.902 -11.449 111 HZ1 LYS 16 HZ1 LYS 16 -11.439 -4.998 -10.633 112 HZ2 LYS 16 HZ2 LYS 16 -10.888 -5.076 -9.036 113 HZ3 LYS 16 HZ3 LYS 16 -11.144 -6.500 -9.914 114 H GLY 17 H GLY 17 -2.345 -5.461 -8.783 115 HA2 GLY 17 HA2 GLY 17 -2.124 -6.760 -6.136 116 HA3 GLY 17 HA3 GLY 17 -0.752 -6.579 -7.220 117 HA PRO 18 HA PRO 18 -0.954 -2.996 -4.202 118 HB2 PRO 18 HB2 PRO 18 1.516 -3.380 -3.141 119 HB3 PRO 18 HB3 PRO 18 0.063 -4.155 -2.498 120 HG2 PRO 18 HG2 PRO 18 2.153 -5.270 -4.328 121 HG3 PRO 18 HG3 PRO 18 1.365 -6.032 -2.934 122 HD2 PRO 18 HD2 PRO 18 0.629 -6.551 -5.488 123 HD3 PRO 18 HD3 PRO 18 -0.525 -6.571 -4.139 124 H GLY 19 H GLY 19 0.301 -1.056 -4.294 125 HA2 GLY 19 HA2 GLY 19 1.846 -0.843 -6.792 126 HA3 GLY 19 HA3 GLY 19 1.017 0.485 -5.993 127 H CYS 20 H CYS 20 3.834 0.175 -6.877 128 HA CYS 20 HA CYS 20 5.528 -0.167 -4.655 129 HB2 CYS 20 HB2 CYS 20 5.965 1.478 -7.158 130 HB3 CYS 20 HB3 CYS 20 7.222 1.000 -6.021 131 H CYS 21 H CYS 21 6.064 1.127 -3.011 132 HA CYS 21 HA CYS 21 4.598 3.349 -2.282 133 HB2 CYS 21 HB2 CYS 21 6.399 1.867 -1.002 134 HB3 CYS 21 HB3 CYS 21 7.448 3.221 -1.414 135 H ASN 22 H ASN 22 7.656 3.208 -4.052 136 HA ASN 22 HA ASN 22 7.140 5.721 -5.313 137 HB2 ASN 22 HB2 ASN 22 9.108 6.917 -4.462 138 HB3 ASN 22 HB3 ASN 22 7.984 6.541 -3.159 139 HD21 ASN 22 HD21 ASN 22 10.756 7.147 -2.906 140 HD22 ASN 22 HD22 ASN 22 11.524 5.763 -2.212 141 H GLY 23 H GLY 23 7.677 5.200 -7.329 142 HA2 GLY 23 HA2 GLY 23 10.057 4.980 -8.471 143 HA3 GLY 23 HA3 GLY 23 9.888 3.357 -7.818 144 H LYS 24 H LYS 24 9.229 1.937 -9.270 145 HA LYS 24 HA LYS 24 6.920 2.412 -10.899 146 HB2 LYS 24 HB2 LYS 24 9.651 2.615 -12.057 147 HB3 LYS 24 HB3 LYS 24 8.445 1.744 -12.993 148 HG2 LYS 24 HG2 LYS 24 7.105 4.022 -12.263 149 HG3 LYS 24 HG3 LYS 24 8.751 4.601 -12.530 150 HD2 LYS 24 HD2 LYS 24 8.771 3.747 -14.756 151 HD3 LYS 24 HD3 LYS 24 7.260 2.873 -14.498 152 HE2 LYS 24 HE2 LYS 24 6.326 5.264 -13.973 153 HE3 LYS 24 HE3 LYS 24 7.726 5.794 -14.905 154 HZ1 LYS 24 HZ1 LYS 24 6.771 5.171 -16.800 155 HZ2 LYS 24 HZ2 LYS 24 5.324 5.056 -15.933 156 HZ3 LYS 24 HZ3 LYS 24 6.273 3.677 -16.180 157 H CYS 25 H CYS 25 6.277 0.506 -12.115 158 HA CYS 25 HA CYS 25 7.157 -1.929 -10.770 159 HB2 CYS 25 HB2 CYS 25 4.737 -1.135 -12.338 160 HB3 CYS 25 HB3 CYS 25 5.151 -2.842 -12.220 161 H ILE 26 H ILE 26 8.805 -2.975 -11.665 162 HA ILE 26 HA ILE 26 9.370 -2.769 -14.491 163 HB ILE 26 HB ILE 26 10.743 -4.392 -12.345 164 HG12 ILE 26 HG12 ILE 26 10.912 -1.986 -11.951 165 HG13 ILE 26 HG13 ILE 26 12.468 -2.632 -12.457 166 HG21 ILE 26 HG21 ILE 26 11.810 -5.418 -13.999 167 HG22 ILE 26 HG22 ILE 26 10.982 -4.431 -15.202 168 HG23 ILE 26 HG23 ILE 26 12.485 -3.861 -14.478 169 HD11 ILE 26 HD11 ILE 26 10.892 -0.550 -13.629 170 HD12 ILE 26 HD12 ILE 26 12.542 -1.054 -14.000 171 HD13 ILE 26 HD13 ILE 26 11.180 -1.833 -14.804 172 H CYS 27 H CYS 27 7.464 -3.774 -15.331 173 HA CYS 27 HA CYS 27 6.956 -6.555 -14.740 174 HB2 CYS 27 HB2 CYS 27 5.747 -4.695 -16.797 175 HB3 CYS 27 HB3 CYS 27 5.193 -6.336 -16.482 176 H ARG 28 H ARG 28 7.817 -8.246 -15.746 177 HA ARG 28 HA ARG 28 8.667 -8.060 -18.513 178 HB2 ARG 28 HB2 ARG 28 10.632 -7.305 -17.165 179 HB3 ARG 28 HB3 ARG 28 10.638 -8.875 -16.373 180 HG2 ARG 28 HG2 ARG 28 11.367 -9.977 -18.265 181 HG3 ARG 28 HG3 ARG 28 10.792 -8.708 -19.349 182 HD2 ARG 28 HD2 ARG 28 12.573 -7.276 -18.007 183 HD3 ARG 28 HD3 ARG 28 13.293 -8.864 -17.751 184 HE ARG 28 HE ARG 28 13.959 -8.859 -19.933 185 HH11 ARG 28 HH11 ARG 28 11.421 -6.510 -19.532 186 HH12 ARG 28 HH12 ARG 28 11.564 -5.888 -21.143 187 HH21 ARG 28 HH21 ARG 28 14.157 -8.049 -22.056 188 HH22 ARG 28 HH22 ARG 28 13.119 -6.765 -22.578 189 H THR 29 H THR 29 9.241 -10.167 -19.418 190 HA THR 29 HA THR 29 7.698 -12.292 -18.121 191 HB THR 29 HB THR 29 8.795 -12.300 -20.934 192 HG1 THR 29 HG1 THR 29 6.483 -11.132 -19.843 193 HG21 THR 29 HG21 THR 29 8.131 -14.446 -20.726 194 HG22 THR 29 HG22 THR 29 6.513 -13.777 -20.935 195 HG23 THR 29 HG23 THR 29 7.130 -14.104 -19.316 196 H VAL 30 H VAL 30 8.852 -13.587 -16.846 197 HA VAL 30 HA VAL 30 11.667 -13.975 -17.147 198 HB VAL 30 HB VAL 30 9.818 -15.653 -15.459 199 HG11 VAL 30 HG11 VAL 30 11.714 -16.150 -14.160 200 HG12 VAL 30 HG12 VAL 30 12.253 -16.295 -15.834 201 HG13 VAL 30 HG13 VAL 30 12.660 -14.857 -14.897 202 HG21 VAL 30 HG21 VAL 30 9.323 -13.348 -14.955 203 HG22 VAL 30 HG22 VAL 30 10.274 -14.035 -13.638 204 HG23 VAL 30 HG23 VAL 30 11.040 -12.971 -14.818 205 HA PRO 31 HA PRO 31 11.844 -17.122 -20.229 206 HB2 PRO 31 HB2 PRO 31 14.014 -18.153 -18.460 207 HB3 PRO 31 HB3 PRO 31 14.036 -17.830 -20.198 208 HG2 PRO 31 HG2 PRO 31 15.193 -16.159 -18.452 209 HG3 PRO 31 HG3 PRO 31 14.376 -15.564 -19.909 210 HD2 PRO 31 HD2 PRO 31 13.526 -15.447 -17.082 211 HD3 PRO 31 HD3 PRO 31 13.155 -14.353 -18.430 212 H ARG 32 H ARG 32 11.754 -17.854 -16.792 213 HA ARG 32 HA ARG 32 11.135 -20.634 -17.162 214 HB2 ARG 32 HB2 ARG 32 11.008 -18.831 -14.741 215 HB3 ARG 32 HB3 ARG 32 10.644 -20.551 -14.697 216 HG2 ARG 32 HG2 ARG 32 13.155 -20.241 -15.965 217 HG3 ARG 32 HG3 ARG 32 13.161 -19.259 -14.499 218 HD2 ARG 32 HD2 ARG 32 12.024 -21.493 -13.541 219 HD3 ARG 32 HD3 ARG 32 13.008 -22.192 -14.827 220 HE ARG 32 HE ARG 32 14.897 -21.688 -13.620 221 HH11 ARG 32 HH11 ARG 32 12.156 -20.045 -12.240 222 HH12 ARG 32 HH12 ARG 32 13.011 -19.533 -10.823 223 HH21 ARG 32 HH21 ARG 32 16.034 -21.020 -11.759 224 HH22 ARG 32 HH22 ARG 32 15.217 -20.088 -10.551 225 H LYS 33 H LYS 33 9.386 -19.461 -18.753 226 HA LYS 33 HA LYS 33 7.183 -19.013 -19.205 227 HB2 LYS 33 HB2 LYS 33 7.048 -21.332 -17.280 228 HB3 LYS 33 HB3 LYS 33 5.636 -20.729 -18.138 229 HG2 LYS 33 HG2 LYS 33 6.335 -21.539 -20.149 230 HG3 LYS 33 HG3 LYS 33 8.045 -21.412 -19.732 231 HD2 LYS 33 HD2 LYS 33 7.538 -23.287 -18.032 232 HD3 LYS 33 HD3 LYS 33 6.069 -23.539 -18.977 233 HE2 LYS 33 HE2 LYS 33 8.190 -23.336 -20.818 234 HE3 LYS 33 HE3 LYS 33 8.748 -24.396 -19.525 235 HZ1 LYS 33 HZ1 LYS 33 7.685 -25.917 -20.789 236 HZ2 LYS 33 HZ2 LYS 33 6.610 -24.799 -21.463 237 HZ3 LYS 33 HZ3 LYS 33 6.340 -25.396 -19.904 238 H GLY 34 H GLY 34 7.702 -16.950 -17.855 239 HA2 GLY 34 HA2 GLY 34 5.535 -16.712 -15.883 240 HA3 GLY 34 HA3 GLY 34 7.147 -16.171 -15.442 241 H VAL 35 H VAL 35 4.459 -15.631 -17.659 242 HA VAL 35 HA VAL 35 5.573 -13.112 -18.570 243 HB VAL 35 HB VAL 35 2.801 -14.137 -19.150 244 HG11 VAL 35 HG11 VAL 35 4.071 -11.776 -19.793 245 HG12 VAL 35 HG12 VAL 35 4.268 -12.756 -21.247 246 HG13 VAL 35 HG13 VAL 35 2.655 -12.448 -20.601 247 HG21 VAL 35 HG21 VAL 35 4.382 -14.769 -21.336 248 HG22 VAL 35 HG22 VAL 35 5.346 -15.272 -19.947 249 HG23 VAL 35 HG23 VAL 35 3.713 -15.902 -20.161 250 H ASN 36 H ASN 36 5.348 -12.901 -15.912 251 HA ASN 36 HA ASN 36 3.644 -10.670 -15.575 252 HB2 ASN 36 HB2 ASN 36 2.649 -13.320 -14.666 253 HB3 ASN 36 HB3 ASN 36 2.421 -11.962 -13.569 254 HD21 ASN 36 HD21 ASN 36 1.919 -9.900 -15.236 255 HD22 ASN 36 HD22 ASN 36 0.463 -10.183 -16.122 256 H SER 37 H SER 37 6.203 -10.630 -15.181 257 HA SER 37 HA SER 37 6.629 -10.940 -12.282 258 HB2 SER 37 HB2 SER 37 8.400 -11.370 -14.630 259 HB3 SER 37 HB3 SER 37 9.143 -10.672 -13.190 260 HG SER 37 HG SER 37 7.898 -12.538 -12.131 261 H CYS 38 H CYS 38 5.738 -8.916 -11.767 262 HA CYS 38 HA CYS 38 7.138 -6.564 -12.830 263 HB2 CYS 38 HB2 CYS 38 4.540 -6.797 -11.299 264 HB3 CYS 38 HB3 CYS 38 5.264 -5.275 -11.807 265 H ARG 39 H ARG 39 8.985 -6.413 -11.644 266 HA ARG 39 HA ARG 39 8.835 -6.587 -8.735 267 HB2 ARG 39 HB2 ARG 39 10.702 -7.556 -10.357 268 HB3 ARG 39 HB3 ARG 39 11.372 -5.942 -10.160 269 HG2 ARG 39 HG2 ARG 39 12.385 -7.383 -8.552 270 HG3 ARG 39 HG3 ARG 39 11.305 -6.279 -7.700 271 HD2 ARG 39 HD2 ARG 39 11.080 -8.543 -6.837 272 HD3 ARG 39 HD3 ARG 39 9.589 -8.022 -7.621 273 HE ARG 39 HE ARG 39 10.853 -9.324 -9.602 274 HH11 ARG 39 HH11 ARG 39 10.179 -10.178 -6.295 275 HH12 ARG 39 HH12 ARG 39 10.081 -11.877 -6.617 276 HH21 ARG 39 HH21 ARG 39 10.726 -11.559 -10.039 277 HH22 ARG 39 HH22 ARG 39 10.393 -12.662 -8.747 278 H CYS 40 H CYS 40 9.186 -4.898 -7.361 279 HA CYS 40 HA CYS 40 8.709 -2.268 -8.372 280 HB2 CYS 40 HB2 CYS 40 9.036 -3.515 -5.694 281 HB3 CYS 40 HB3 CYS 40 9.347 -1.787 -5.814 282 H MET 41 H MET 41 10.122 -0.736 -8.918 283 HA MET 41 HA MET 41 12.774 -0.647 -7.784 284 HB2 MET 41 HB2 MET 41 13.076 -2.272 -9.599 285 HB3 MET 41 HB3 MET 41 12.413 -1.119 -10.749 286 HG2 MET 41 HG2 MET 41 14.286 0.225 -10.686 287 HG3 MET 41 HG3 MET 41 14.796 -0.384 -9.113 288 HE1 MET 41 HE1 MET 41 17.138 -1.128 -9.333 289 HE2 MET 41 HE2 MET 41 16.236 -2.521 -8.736 290 HE3 MET 41 HE3 MET 41 17.475 -2.737 -9.973 Start of MODEL 20 1 H1 CYS 1 H CYS 1 1.524 0.264 0.784 2 HA CYS 1 HA CYS 1 1.636 -0.696 -1.770 3 HB2 CYS 1 HB2 CYS 1 3.420 1.051 -2.169 4 HB3 CYS 1 HB3 CYS 1 1.949 1.639 -1.399 5 H ALA 2 H ALA 2 3.418 -1.336 -3.147 6 HA ALA 2 HA ALA 2 4.953 -3.446 -1.990 7 HB1 ALA 2 HB1 ALA 2 4.960 -2.258 -4.759 8 HB2 ALA 2 HB2 ALA 2 5.883 -3.685 -4.287 9 HB3 ALA 2 HB3 ALA 2 4.121 -3.713 -4.220 10 H SER 3 H SER 3 6.969 -3.421 -1.225 11 HA SER 3 HA SER 3 8.406 -0.921 -1.114 12 HB2 SER 3 HB2 SER 3 9.638 -1.862 0.588 13 HB3 SER 3 HB3 SER 3 8.191 -2.865 0.687 14 HG SER 3 HG SER 3 10.744 -3.497 -0.236 15 H LYS 4 H LYS 4 11.040 -1.703 -1.150 16 HA LYS 4 HA LYS 4 11.619 -1.668 -3.920 17 HB2 LYS 4 HB2 LYS 4 13.219 -1.816 -1.409 18 HB3 LYS 4 HB3 LYS 4 14.014 -2.243 -2.919 19 HG2 LYS 4 HG2 LYS 4 12.864 0.068 -3.652 20 HG3 LYS 4 HG3 LYS 4 13.096 0.377 -1.930 21 HD2 LYS 4 HD2 LYS 4 15.398 -0.823 -3.318 22 HD3 LYS 4 HD3 LYS 4 14.980 0.814 -3.827 23 HE2 LYS 4 HE2 LYS 4 14.856 1.214 -1.221 24 HE3 LYS 4 HE3 LYS 4 15.936 -0.178 -1.188 25 HZ1 LYS 4 HZ1 LYS 4 17.449 1.484 -1.382 26 HZ2 LYS 4 HZ2 LYS 4 16.405 2.514 -2.226 27 HZ3 LYS 4 HZ3 LYS 4 17.155 1.227 -3.028 28 H ASN 5 H ASN 5 11.659 -3.302 -5.305 29 HA ASN 5 HA ASN 5 11.964 -5.374 -6.203 30 HB2 ASN 5 HB2 ASN 5 14.048 -5.240 -4.618 31 HB3 ASN 5 HB3 ASN 5 13.149 -6.401 -3.648 32 HD21 ASN 5 HD21 ASN 5 15.426 -7.317 -4.472 33 HD22 ASN 5 HD22 ASN 5 15.271 -8.393 -5.814 34 H GLU 6 H GLU 6 9.657 -4.587 -4.472 35 HA GLU 6 HA GLU 6 8.774 -7.224 -3.532 36 HB2 GLU 6 HB2 GLU 6 8.069 -4.422 -2.838 37 HB3 GLU 6 HB3 GLU 6 6.785 -5.619 -2.735 38 HG2 GLU 6 HG2 GLU 6 9.447 -5.930 -1.377 39 HG3 GLU 6 HG3 GLU 6 8.043 -5.190 -0.612 40 H ARG 7 H ARG 7 6.472 -7.785 -3.947 41 HA ARG 7 HA ARG 7 5.939 -7.674 -6.743 42 HB2 ARG 7 HB2 ARG 7 4.626 -8.899 -4.362 43 HB3 ARG 7 HB3 ARG 7 3.676 -8.720 -5.831 44 HG2 ARG 7 HG2 ARG 7 5.972 -9.814 -6.799 45 HG3 ARG 7 HG3 ARG 7 5.852 -10.570 -5.209 46 HD2 ARG 7 HD2 ARG 7 3.515 -11.211 -5.752 47 HD3 ARG 7 HD3 ARG 7 3.755 -10.565 -7.375 48 HE ARG 7 HE ARG 7 4.857 -12.486 -7.912 49 HH11 ARG 7 HH11 ARG 7 4.853 -12.142 -4.448 50 HH12 ARG 7 HH12 ARG 7 5.583 -13.687 -4.163 51 HH21 ARG 7 HH21 ARG 7 5.820 -14.522 -7.550 52 HH22 ARG 7 HH22 ARG 7 6.134 -15.039 -5.928 53 H CYS 8 H CYS 8 4.874 -6.173 -7.841 54 HA CYS 8 HA CYS 8 2.973 -4.450 -6.391 55 HB2 CYS 8 HB2 CYS 8 3.680 -2.558 -7.644 56 HB3 CYS 8 HB3 CYS 8 5.150 -3.340 -7.073 57 H GLY 9 H GLY 9 1.263 -3.513 -7.730 58 HA2 GLY 9 HA2 GLY 9 0.395 -5.450 -9.761 59 HA3 GLY 9 HA3 GLY 9 -0.653 -4.347 -8.881 60 H ASN 10 H ASN 10 -0.806 -4.638 -11.637 61 HA ASN 10 HA ASN 10 -0.465 -1.919 -12.463 62 HB2 ASN 10 HB2 ASN 10 1.823 -2.906 -12.831 63 HB3 ASN 10 HB3 ASN 10 1.095 -3.999 -14.005 64 HD21 ASN 10 HD21 ASN 10 3.132 -1.960 -14.381 65 HD22 ASN 10 HD22 ASN 10 2.511 -0.872 -15.571 66 H ALA 11 H ALA 11 -2.439 -1.633 -13.270 67 HA ALA 11 HA ALA 11 -4.084 -3.620 -14.353 68 HB1 ALA 11 HB1 ALA 11 -4.149 -0.623 -14.600 69 HB2 ALA 11 HB2 ALA 11 -5.399 -1.669 -15.275 70 HB3 ALA 11 HB3 ALA 11 -5.108 -1.652 -13.535 71 H LEU 12 H LEU 12 -1.724 -1.504 -15.848 72 HA LEU 12 HA LEU 12 -2.468 -1.830 -18.530 73 HB2 LEU 12 HB2 LEU 12 -0.819 -0.183 -17.604 74 HB3 LEU 12 HB3 LEU 12 0.340 -1.506 -17.491 75 HG LEU 12 HG LEU 12 -0.760 -1.304 -20.157 76 HD11 LEU 12 HD11 LEU 12 0.473 0.835 -20.682 77 HD12 LEU 12 HD12 LEU 12 0.474 1.157 -18.948 78 HD13 LEU 12 HD13 LEU 12 -1.054 1.015 -19.817 79 HD21 LEU 12 HD21 LEU 12 2.014 -1.079 -18.996 80 HD22 LEU 12 HD22 LEU 12 1.648 -1.188 -20.718 81 HD23 LEU 12 HD23 LEU 12 1.250 -2.531 -19.645 82 H TYR 13 H TYR 13 -0.869 -3.959 -16.327 83 HA TYR 13 HA TYR 13 -0.189 -5.788 -18.529 84 HB2 TYR 13 HB2 TYR 13 0.976 -5.293 -15.838 85 HB3 TYR 13 HB3 TYR 13 1.011 -6.948 -16.437 86 HD1 TYR 13 HD2 TYR 13 2.058 -3.479 -17.219 87 HD2 TYR 13 HD1 TYR 13 2.591 -7.617 -18.054 88 HE1 TYR 13 HE2 TYR 13 4.056 -2.947 -18.552 89 HE2 TYR 13 HE1 TYR 13 4.591 -7.096 -19.388 90 HH TYR 13 HH TYR 13 5.393 -3.919 -20.335 91 H GLY 14 H GLY 14 -2.782 -5.237 -16.855 92 HA2 GLY 14 HA2 GLY 14 -4.583 -6.488 -16.180 93 HA3 GLY 14 HA3 GLY 14 -3.868 -7.812 -17.089 94 H THR 15 H THR 15 -2.106 -6.329 -14.492 95 HA THR 15 HA THR 15 -2.471 -8.787 -12.914 96 HB THR 15 HB THR 15 -0.310 -8.487 -11.988 97 HG1 THR 15 HG1 THR 15 0.082 -6.047 -13.356 98 HG21 THR 15 HG21 THR 15 0.774 -9.161 -13.822 99 HG22 THR 15 HG22 THR 15 0.609 -7.578 -14.582 100 HG23 THR 15 HG23 THR 15 -0.687 -8.765 -14.727 101 H LYS 16 H LYS 16 -3.520 -8.648 -11.047 102 HA LYS 16 HA LYS 16 -4.153 -6.012 -9.966 103 HB2 LYS 16 HB2 LYS 16 -5.716 -7.314 -8.488 104 HB3 LYS 16 HB3 LYS 16 -6.049 -7.442 -10.210 105 HG2 LYS 16 HG2 LYS 16 -4.264 -9.535 -9.423 106 HG3 LYS 16 HG3 LYS 16 -5.676 -9.520 -8.362 107 HD2 LYS 16 HD2 LYS 16 -7.149 -9.920 -10.102 108 HD3 LYS 16 HD3 LYS 16 -6.036 -9.297 -11.322 109 HE2 LYS 16 HE2 LYS 16 -4.983 -11.278 -11.556 110 HE3 LYS 16 HE3 LYS 16 -5.085 -11.651 -9.836 111 HZ1 LYS 16 HZ1 LYS 16 -6.562 -12.803 -11.805 112 HZ2 LYS 16 HZ2 LYS 16 -7.639 -11.685 -11.134 113 HZ3 LYS 16 HZ3 LYS 16 -6.914 -12.855 -10.151 114 H GLY 17 H GLY 17 -2.300 -5.361 -8.912 115 HA2 GLY 17 HA2 GLY 17 -1.627 -6.936 -6.510 116 HA3 GLY 17 HA3 GLY 17 -0.359 -6.282 -7.537 117 HA PRO 18 HA PRO 18 -1.566 -3.254 -4.131 118 HB2 PRO 18 HB2 PRO 18 0.829 -3.247 -2.852 119 HB3 PRO 18 HB3 PRO 18 -0.471 -4.374 -2.450 120 HG2 PRO 18 HG2 PRO 18 1.958 -4.811 -4.144 121 HG3 PRO 18 HG3 PRO 18 1.237 -5.878 -2.925 122 HD2 PRO 18 HD2 PRO 18 0.850 -6.230 -5.582 123 HD3 PRO 18 HD3 PRO 18 -0.382 -6.647 -4.373 124 H GLY 19 H GLY 19 -0.462 -1.156 -3.678 125 HA2 GLY 19 HA2 GLY 19 0.403 0.039 -6.108 126 HA3 GLY 19 HA3 GLY 19 0.359 0.815 -4.532 127 H CYS 20 H CYS 20 2.332 1.854 -4.828 128 HA CYS 20 HA CYS 20 4.644 0.179 -4.294 129 HB2 CYS 20 HB2 CYS 20 4.206 1.626 -6.846 130 HB3 CYS 20 HB3 CYS 20 5.811 1.760 -6.137 131 H CYS 21 H CYS 21 5.881 1.103 -2.797 132 HA CYS 21 HA CYS 21 5.259 3.712 -1.809 133 HB2 CYS 21 HB2 CYS 21 7.680 2.085 -1.051 134 HB3 CYS 21 HB3 CYS 21 6.809 3.263 -0.074 135 H ASN 22 H ASN 22 5.771 4.490 -4.167 136 HA ASN 22 HA ASN 22 6.992 6.009 -5.354 137 HB2 ASN 22 HB2 ASN 22 7.714 6.702 -2.951 138 HB3 ASN 22 HB3 ASN 22 9.218 5.873 -3.341 139 HD21 ASN 22 HD21 ASN 22 8.876 8.650 -2.783 140 HD22 ASN 22 HD22 ASN 22 9.368 9.520 -4.192 141 H GLY 23 H GLY 23 7.585 4.988 -7.170 142 HA2 GLY 23 HA2 GLY 23 10.043 4.365 -7.973 143 HA3 GLY 23 HA3 GLY 23 9.623 2.907 -7.086 144 H LYS 24 H LYS 24 10.228 3.089 -9.879 145 HA LYS 24 HA LYS 24 7.708 2.844 -11.286 146 HB2 LYS 24 HB2 LYS 24 9.537 3.882 -12.467 147 HB3 LYS 24 HB3 LYS 24 10.576 2.494 -12.171 148 HG2 LYS 24 HG2 LYS 24 9.609 1.240 -13.804 149 HG3 LYS 24 HG3 LYS 24 8.040 2.032 -13.638 150 HD2 LYS 24 HD2 LYS 24 8.795 2.826 -15.683 151 HD3 LYS 24 HD3 LYS 24 9.269 4.114 -14.573 152 HE2 LYS 24 HE2 LYS 24 11.492 2.733 -14.417 153 HE3 LYS 24 HE3 LYS 24 10.954 2.083 -15.965 154 HZ1 LYS 24 HZ1 LYS 24 10.633 4.592 -16.521 155 HZ2 LYS 24 HZ2 LYS 24 12.166 3.886 -16.631 156 HZ3 LYS 24 HZ3 LYS 24 11.761 4.821 -15.280 157 H CYS 25 H CYS 25 6.721 0.995 -11.900 158 HA CYS 25 HA CYS 25 7.579 -1.459 -10.651 159 HB2 CYS 25 HB2 CYS 25 5.149 -0.515 -12.086 160 HB3 CYS 25 HB3 CYS 25 5.460 -2.248 -12.079 161 H ILE 26 H ILE 26 8.468 -3.212 -11.601 162 HA ILE 26 HA ILE 26 9.171 -2.960 -14.446 163 HB ILE 26 HB ILE 26 10.488 -4.617 -12.291 164 HG12 ILE 26 HG12 ILE 26 10.897 -2.200 -12.068 165 HG13 ILE 26 HG13 ILE 26 12.361 -3.058 -12.537 166 HG21 ILE 26 HG21 ILE 26 10.721 -4.594 -15.222 167 HG22 ILE 26 HG22 ILE 26 12.248 -4.560 -14.341 168 HG23 ILE 26 HG23 ILE 26 11.098 -5.867 -14.060 169 HD11 ILE 26 HD11 ILE 26 10.575 -1.434 -14.332 170 HD12 ILE 26 HD12 ILE 26 12.192 -1.007 -13.771 171 HD13 ILE 26 HD13 ILE 26 11.971 -2.368 -14.871 172 H CYS 27 H CYS 27 7.236 -3.828 -15.262 173 HA CYS 27 HA CYS 27 6.399 -6.478 -14.458 174 HB2 CYS 27 HB2 CYS 27 5.388 -4.477 -16.466 175 HB3 CYS 27 HB3 CYS 27 4.760 -6.121 -16.418 176 H ARG 28 H ARG 28 6.953 -8.339 -15.395 177 HA ARG 28 HA ARG 28 8.186 -8.265 -18.064 178 HB2 ARG 28 HB2 ARG 28 9.986 -8.450 -16.429 179 HB3 ARG 28 HB3 ARG 28 9.185 -9.821 -15.672 180 HG2 ARG 28 HG2 ARG 28 9.770 -11.266 -17.343 181 HG3 ARG 28 HG3 ARG 28 9.866 -9.992 -18.561 182 HD2 ARG 28 HD2 ARG 28 12.068 -9.946 -18.279 183 HD3 ARG 28 HD3 ARG 28 11.812 -9.388 -16.626 184 HE ARG 28 HE ARG 28 12.584 -12.029 -17.469 185 HH11 ARG 28 HH11 ARG 28 11.116 -10.134 -14.944 186 HH12 ARG 28 HH12 ARG 28 11.469 -11.284 -13.697 187 HH21 ARG 28 HH21 ARG 28 13.054 -13.550 -15.836 188 HH22 ARG 28 HH22 ARG 28 12.572 -13.226 -14.205 189 H THR 29 H THR 29 8.001 -10.212 -19.283 190 HA THR 29 HA THR 29 6.243 -12.293 -18.248 191 HB THR 29 HB THR 29 5.503 -11.218 -20.930 192 HG1 THR 29 HG1 THR 29 4.087 -9.724 -19.924 193 HG21 THR 29 HG21 THR 29 4.526 -13.303 -19.982 194 HG22 THR 29 HG22 THR 29 3.325 -12.061 -20.334 195 HG23 THR 29 HG23 THR 29 3.843 -12.340 -18.672 196 H VAL 30 H VAL 30 7.449 -14.043 -18.602 197 HA VAL 30 HA VAL 30 8.171 -14.753 -21.303 198 HB VAL 30 HB VAL 30 10.109 -13.369 -20.488 199 HG11 VAL 30 HG11 VAL 30 10.505 -15.708 -18.623 200 HG12 VAL 30 HG12 VAL 30 11.639 -14.379 -18.872 201 HG13 VAL 30 HG13 VAL 30 10.061 -14.069 -18.147 202 HG21 VAL 30 HG21 VAL 30 10.449 -14.895 -22.295 203 HG22 VAL 30 HG22 VAL 30 11.824 -15.046 -21.201 204 HG23 VAL 30 HG23 VAL 30 10.551 -16.266 -21.191 205 HA PRO 31 HA PRO 31 6.973 -18.747 -19.892 206 HB2 PRO 31 HB2 PRO 31 9.159 -19.622 -21.723 207 HB3 PRO 31 HB3 PRO 31 7.478 -20.161 -21.640 208 HG2 PRO 31 HG2 PRO 31 8.314 -18.486 -23.557 209 HG3 PRO 31 HG3 PRO 31 6.697 -18.351 -22.843 210 HD2 PRO 31 HD2 PRO 31 9.078 -16.641 -22.474 211 HD3 PRO 31 HD3 PRO 31 7.354 -16.231 -22.371 212 H ARG 32 H ARG 32 10.292 -17.649 -19.889 213 HA ARG 32 HA ARG 32 11.324 -19.828 -18.349 214 HB2 ARG 32 HB2 ARG 32 12.349 -17.211 -19.322 215 HB3 ARG 32 HB3 ARG 32 13.169 -17.939 -17.947 216 HG2 ARG 32 HG2 ARG 32 12.675 -19.415 -20.517 217 HG3 ARG 32 HG3 ARG 32 14.125 -18.454 -20.220 218 HD2 ARG 32 HD2 ARG 32 13.356 -20.445 -18.161 219 HD3 ARG 32 HD3 ARG 32 13.995 -21.060 -19.685 220 HE ARG 32 HE ARG 32 15.742 -19.091 -18.897 221 HH11 ARG 32 HH11 ARG 32 14.546 -22.074 -17.560 222 HH12 ARG 32 HH12 ARG 32 15.993 -22.406 -16.667 223 HH21 ARG 32 HH21 ARG 32 17.652 -19.516 -17.726 224 HH22 ARG 32 HH22 ARG 32 17.759 -20.949 -16.762 225 H LYS 33 H LYS 33 9.419 -19.606 -16.800 226 HA LYS 33 HA LYS 33 8.604 -19.107 -14.734 227 HB2 LYS 33 HB2 LYS 33 11.138 -19.787 -14.360 228 HB3 LYS 33 HB3 LYS 33 11.278 -18.105 -13.864 229 HG2 LYS 33 HG2 LYS 33 9.137 -18.777 -12.426 230 HG3 LYS 33 HG3 LYS 33 9.897 -20.366 -12.552 231 HD2 LYS 33 HD2 LYS 33 11.512 -19.810 -11.111 232 HD3 LYS 33 HD3 LYS 33 11.808 -18.269 -11.920 233 HE2 LYS 33 HE2 LYS 33 11.092 -17.934 -9.610 234 HE3 LYS 33 HE3 LYS 33 9.911 -17.281 -10.745 235 HZ1 LYS 33 HZ1 LYS 33 9.540 -19.228 -8.744 236 HZ2 LYS 33 HZ2 LYS 33 9.192 -19.917 -10.249 237 HZ3 LYS 33 HZ3 LYS 33 8.385 -18.515 -9.753 238 H GLY 34 H GLY 34 8.033 -17.141 -16.481 239 HA2 GLY 34 HA2 GLY 34 8.251 -14.743 -14.790 240 HA3 GLY 34 HA3 GLY 34 8.640 -14.629 -16.500 241 H VAL 35 H VAL 35 6.018 -16.049 -14.538 242 HA VAL 35 HA VAL 35 4.062 -15.407 -16.548 243 HB VAL 35 HB VAL 35 3.716 -16.479 -13.744 244 HG11 VAL 35 HG11 VAL 35 1.789 -15.630 -15.793 245 HG12 VAL 35 HG12 VAL 35 1.489 -17.225 -15.100 246 HG13 VAL 35 HG13 VAL 35 1.590 -15.810 -14.050 247 HG21 VAL 35 HG21 VAL 35 4.686 -17.704 -16.076 248 HG22 VAL 35 HG22 VAL 35 4.222 -18.482 -14.563 249 HG23 VAL 35 HG23 VAL 35 3.039 -18.297 -15.858 250 H ASN 36 H ASN 36 4.465 -13.080 -16.576 251 HA ASN 36 HA ASN 36 3.893 -10.932 -16.099 252 HB2 ASN 36 HB2 ASN 36 1.691 -12.473 -14.764 253 HB3 ASN 36 HB3 ASN 36 1.776 -10.723 -14.584 254 HD21 ASN 36 HD21 ASN 36 2.367 -9.696 -16.874 255 HD22 ASN 36 HD22 ASN 36 1.285 -10.177 -18.132 256 H SER 37 H SER 37 6.038 -11.366 -14.810 257 HA SER 37 HA SER 37 5.668 -11.037 -11.936 258 HB2 SER 37 HB2 SER 37 7.428 -12.494 -12.208 259 HB3 SER 37 HB3 SER 37 7.958 -11.742 -13.712 260 HG SER 37 HG SER 37 9.403 -10.836 -12.485 261 H CYS 38 H CYS 38 5.169 -9.023 -11.343 262 HA CYS 38 HA CYS 38 6.631 -6.792 -12.590 263 HB2 CYS 38 HB2 CYS 38 3.985 -6.795 -11.122 264 HB3 CYS 38 HB3 CYS 38 4.780 -5.361 -11.764 265 H ARG 39 H ARG 39 8.398 -6.433 -11.380 266 HA ARG 39 HA ARG 39 8.092 -6.333 -8.456 267 HB2 ARG 39 HB2 ARG 39 10.617 -6.553 -10.106 268 HB3 ARG 39 HB3 ARG 39 10.529 -6.575 -8.350 269 HG2 ARG 39 HG2 ARG 39 9.344 -8.628 -10.207 270 HG3 ARG 39 HG3 ARG 39 10.809 -8.815 -9.240 271 HD2 ARG 39 HD2 ARG 39 9.583 -9.532 -7.535 272 HD3 ARG 39 HD3 ARG 39 8.737 -7.985 -7.500 273 HE ARG 39 HE ARG 39 6.939 -8.981 -8.511 274 HH11 ARG 39 HH11 ARG 39 9.714 -11.065 -8.788 275 HH12 ARG 39 HH12 ARG 39 8.810 -12.403 -9.416 276 HH21 ARG 39 HH21 ARG 39 5.737 -10.736 -9.336 277 HH22 ARG 39 HH22 ARG 39 6.548 -12.214 -9.728 278 H CYS 40 H CYS 40 8.217 -4.444 -7.429 279 HA CYS 40 HA CYS 40 8.405 -2.005 -8.864 280 HB2 CYS 40 HB2 CYS 40 7.261 -2.632 -6.547 281 HB3 CYS 40 HB3 CYS 40 8.797 -2.054 -5.908 282 H MET 41 H MET 41 10.076 -0.656 -9.209 283 HA MET 41 HA MET 41 12.459 -0.660 -7.650 284 HB2 MET 41 HB2 MET 41 12.652 -2.746 -9.134 285 HB3 MET 41 HB3 MET 41 12.841 -1.625 -10.476 286 HG2 MET 41 HG2 MET 41 14.603 -0.917 -8.321 287 HG3 MET 41 HG3 MET 41 14.825 -2.604 -8.778 288 HE1 MET 41 HE1 MET 41 16.894 -2.535 -11.781 289 HE2 MET 41 HE2 MET 41 17.256 -2.571 -10.055 290 HE3 MET 41 HE3 MET 41 15.868 -3.460 -10.684
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