![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
540776 |
2lqx ![]() ![]() |
18334 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H SER 1 1.807 0.001 0.856 2 HA SER 1 HA SER 1 1.425 -0.278 -2.043 3 HB2 SER 1 HB2 SER 1 3.474 1.325 -2.213 4 HB3 SER 1 HB3 SER 1 1.871 2.013 -1.954 5 HG SER 1 HG SER 1 3.918 1.591 -0.042 6 H GLU 2 H GLU 2 3.806 -0.522 -3.033 7 HA GLU 2 HA GLU 2 5.193 -2.530 -1.379 8 HB2 GLU 2 HB2 GLU 2 5.851 -3.319 -3.866 9 HB3 GLU 2 HB3 GLU 2 4.455 -3.938 -2.995 10 HG2 GLU 2 HG2 GLU 2 3.017 -2.339 -4.127 11 HG3 GLU 2 HG3 GLU 2 4.411 -1.670 -4.974 12 H LYS 3 H LYS 3 5.477 0.075 -3.705 13 HA LYS 3 HA LYS 3 8.330 -0.057 -3.910 14 HB2 LYS 3 HB2 LYS 3 6.225 1.883 -4.793 15 HB3 LYS 3 HB3 LYS 3 7.918 2.358 -4.837 16 HG2 LYS 3 HG2 LYS 3 6.865 -0.119 -6.175 17 HG3 LYS 3 HG3 LYS 3 6.991 1.447 -6.979 18 HD2 LYS 3 HD2 LYS 3 9.338 1.457 -6.822 19 HD3 LYS 3 HD3 LYS 3 9.345 0.164 -5.620 20 HE2 LYS 3 HE2 LYS 3 10.057 -0.717 -7.749 21 HE3 LYS 3 HE3 LYS 3 8.479 -1.386 -7.338 22 HZ1 LYS 3 HZ1 LYS 3 8.837 -0.559 -9.703 23 HZ2 LYS 3 HZ2 LYS 3 8.733 1.002 -9.059 24 HZ3 LYS 3 HZ3 LYS 3 7.425 -0.061 -8.915 25 HA PRO 4 HA PRO 4 9.610 2.267 -0.416 26 HB2 PRO 4 HB2 PRO 4 11.650 3.747 -1.426 27 HB3 PRO 4 HB3 PRO 4 11.769 2.004 -1.156 28 HG2 PRO 4 HG2 PRO 4 11.221 3.494 -3.693 29 HG3 PRO 4 HG3 PRO 4 12.281 2.099 -3.422 30 HD2 PRO 4 HD2 PRO 4 9.804 1.860 -4.490 31 HD3 PRO 4 HD3 PRO 4 10.531 0.600 -3.473 32 H GLN 5 H GLN 5 7.440 3.435 -0.645 33 HA GLN 5 HA GLN 5 7.393 6.033 -1.809 34 HB2 GLN 5 HB2 GLN 5 5.258 6.297 -0.618 35 HB3 GLN 5 HB3 GLN 5 5.338 4.768 -1.483 36 HG2 GLN 5 HG2 GLN 5 4.471 4.053 0.490 37 HG3 GLN 5 HG3 GLN 5 6.190 3.880 0.840 38 HE21 GLN 5 HE21 GLN 5 3.419 6.014 1.231 39 HE22 GLN 5 HE22 GLN 5 3.974 6.771 2.681 40 H GLN 6 H GLN 6 8.830 4.832 0.976 41 HA GLN 6 HA GLN 6 8.460 6.817 2.878 42 HB2 GLN 6 HB2 GLN 6 10.734 4.960 2.268 43 HB3 GLN 6 HB3 GLN 6 10.904 6.176 3.528 44 HG2 GLN 6 HG2 GLN 6 8.531 4.376 3.550 45 HG3 GLN 6 HG3 GLN 6 10.091 3.766 4.100 46 HE21 GLN 6 HE21 GLN 6 7.375 4.694 5.321 47 HE22 GLN 6 HE22 GLN 6 7.880 5.599 6.704 48 H GLU 7 H GLU 7 10.461 6.798 0.009 49 HA GLU 7 HA GLU 7 11.958 9.137 0.694 50 HB2 GLU 7 HB2 GLU 7 11.827 7.253 -1.520 51 HB3 GLU 7 HB3 GLU 7 12.027 8.909 -2.075 52 HG2 GLU 7 HG2 GLU 7 13.788 7.524 -0.066 53 HG3 GLU 7 HG3 GLU 7 14.164 7.754 -1.773 54 H LEU 8 H LEU 8 9.026 8.483 -1.135 55 HA LEU 8 HA LEU 8 8.681 10.955 -2.370 56 HB2 LEU 8 HB2 LEU 8 7.341 8.886 -2.764 57 HB3 LEU 8 HB3 LEU 8 6.495 9.208 -1.252 58 HG LEU 8 HG LEU 8 5.685 11.347 -2.225 59 HD11 LEU 8 HD11 LEU 8 7.532 11.550 -3.892 60 HD12 LEU 8 HD12 LEU 8 5.918 11.801 -4.556 61 HD13 LEU 8 HD13 LEU 8 6.755 10.273 -4.827 62 HD21 LEU 8 HD21 LEU 8 3.854 10.290 -2.953 63 HD22 LEU 8 HD22 LEU 8 4.722 8.806 -2.560 64 HD23 LEU 8 HD23 LEU 8 4.738 9.427 -4.211 65 H GLU 9 H GLU 9 7.565 9.857 0.821 66 HA GLU 9 HA GLU 9 6.148 12.083 1.618 67 HB2 GLU 9 HB2 GLU 9 7.885 10.215 3.231 68 HB3 GLU 9 HB3 GLU 9 6.860 11.442 3.961 69 HG2 GLU 9 HG2 GLU 9 5.617 9.549 2.046 70 HG3 GLU 9 HG3 GLU 9 6.054 8.952 3.646 71 H GLU 10 H GLU 10 9.623 11.595 1.533 72 HA GLU 10 HA GLU 10 10.280 13.952 2.998 73 HB2 GLU 10 HB2 GLU 10 11.977 12.351 1.075 74 HB3 GLU 10 HB3 GLU 10 12.569 13.553 2.213 75 HG2 GLU 10 HG2 GLU 10 11.697 12.148 4.064 76 HG3 GLU 10 HG3 GLU 10 11.281 10.917 2.874 77 H CYS 11 H CYS 11 10.362 13.141 -0.468 78 HA CYS 11 HA CYS 11 11.220 15.592 -1.443 79 HB2 CYS 11 HB2 CYS 11 10.741 13.318 -2.652 80 HB3 CYS 11 HB3 CYS 11 9.149 14.015 -2.930 81 H GLN 12 H GLN 12 7.922 14.492 -0.750 82 HA GLN 12 HA GLN 12 6.632 16.839 -1.664 83 HB2 GLN 12 HB2 GLN 12 5.654 14.874 0.414 84 HB3 GLN 12 HB3 GLN 12 4.666 15.997 -0.512 85 HG2 GLN 12 HG2 GLN 12 6.329 13.913 -1.872 86 HG3 GLN 12 HG3 GLN 12 4.732 13.537 -1.228 87 HE21 GLN 12 HE21 GLN 12 2.912 14.561 -2.125 88 HE22 GLN 12 HE22 GLN 12 2.961 15.259 -3.704 89 H ASN 13 H ASN 13 7.400 15.729 1.637 90 HA ASN 13 HA ASN 13 6.477 17.893 3.063 91 HB2 ASN 13 HB2 ASN 13 8.641 15.893 3.503 92 HB3 ASN 13 HB3 ASN 13 8.596 17.296 4.568 93 HD21 ASN 13 HD21 ASN 13 8.255 15.441 6.099 94 HD22 ASN 13 HD22 ASN 13 6.620 14.982 6.415 95 H VAL 14 H VAL 14 9.489 17.565 1.279 96 HA VAL 14 HA VAL 14 10.692 19.956 2.229 97 HB VAL 14 HB VAL 14 11.198 18.411 -0.318 98 HG11 VAL 14 HG11 VAL 14 13.456 19.613 -0.128 99 HG12 VAL 14 HG12 VAL 14 12.080 20.533 -0.740 100 HG13 VAL 14 HG13 VAL 14 12.612 20.744 0.928 101 HG21 VAL 14 HG21 VAL 14 13.201 18.349 1.804 102 HG22 VAL 14 HG22 VAL 14 11.657 17.637 2.274 103 HG23 VAL 14 HG23 VAL 14 12.513 17.030 0.856 104 H CYS 15 H CYS 15 8.825 19.176 -0.688 105 HA CYS 15 HA CYS 15 9.008 21.639 -1.970 106 HB2 CYS 15 HB2 CYS 15 6.761 19.616 -1.967 107 HB3 CYS 15 HB3 CYS 15 6.846 20.988 -3.068 108 H ARG 16 H ARG 16 6.745 20.530 0.508 109 HA ARG 16 HA ARG 16 5.125 22.865 0.472 110 HB2 ARG 16 HB2 ARG 16 5.498 20.863 2.706 111 HB3 ARG 16 HB3 ARG 16 4.170 22.004 2.543 112 HG2 ARG 16 HG2 ARG 16 3.124 20.777 0.945 113 HG3 ARG 16 HG3 ARG 16 4.632 20.124 0.302 114 HD2 ARG 16 HD2 ARG 16 4.792 18.829 2.502 115 HD3 ARG 16 HD3 ARG 16 3.098 19.259 2.733 116 HE ARG 16 HE ARG 16 3.678 18.029 0.192 117 HH11 ARG 16 HH11 ARG 16 2.805 17.504 3.521 118 HH12 ARG 16 HH12 ARG 16 2.089 15.955 3.225 119 HH21 ARG 16 HH21 ARG 16 2.737 15.991 -0.211 120 HH22 ARG 16 HH22 ARG 16 2.051 15.094 1.102 121 H MET 17 H MET 17 8.179 22.119 1.854 122 HA MET 17 HA MET 17 8.048 24.246 3.828 123 HB2 MET 17 HB2 MET 17 9.855 21.999 3.231 124 HB3 MET 17 HB3 MET 17 10.659 23.456 3.798 125 HG2 MET 17 HG2 MET 17 8.346 22.872 5.407 126 HG3 MET 17 HG3 MET 17 9.434 21.488 5.337 127 HE1 MET 17 HE1 MET 17 9.840 22.654 8.620 128 HE2 MET 17 HE2 MET 17 9.782 21.317 7.472 129 HE3 MET 17 HE3 MET 17 11.335 21.891 8.080 130 H LYS 18 H LYS 18 8.291 24.313 0.637 131 HA LYS 18 HA LYS 18 10.611 25.937 0.225 132 HB2 LYS 18 HB2 LYS 18 8.191 25.417 -1.510 133 HB3 LYS 18 HB3 LYS 18 9.598 26.336 -2.029 134 HG2 LYS 18 HG2 LYS 18 9.546 23.433 -1.234 135 HG3 LYS 18 HG3 LYS 18 9.729 24.081 -2.866 136 HD2 LYS 18 HD2 LYS 18 11.777 25.328 -1.829 137 HD3 LYS 18 HD3 LYS 18 11.674 24.068 -0.596 138 HE2 LYS 18 HE2 LYS 18 11.623 22.432 -2.585 139 HE3 LYS 18 HE3 LYS 18 12.213 23.795 -3.535 140 HZ1 LYS 18 HZ1 LYS 18 13.535 22.562 -1.181 141 HZ2 LYS 18 HZ2 LYS 18 14.070 23.979 -1.933 142 HZ3 LYS 18 HZ3 LYS 18 14.068 22.519 -2.786 143 H ARG 19 H ARG 19 10.649 28.163 -0.350 144 HA ARG 19 HA ARG 19 8.603 29.712 1.049 145 HB2 ARG 19 HB2 ARG 19 11.234 29.929 1.263 146 HB3 ARG 19 HB3 ARG 19 11.035 30.968 -0.142 147 HG2 ARG 19 HG2 ARG 19 10.855 32.526 1.495 148 HG3 ARG 19 HG3 ARG 19 9.160 32.048 1.378 149 HD2 ARG 19 HD2 ARG 19 10.937 30.553 3.240 150 HD3 ARG 19 HD3 ARG 19 10.404 32.169 3.703 151 HE ARG 19 HE ARG 19 8.105 30.943 2.973 152 HH11 ARG 19 HH11 ARG 19 10.679 30.104 5.163 153 HH12 ARG 19 HH12 ARG 19 9.652 29.206 6.232 154 HH21 ARG 19 HH21 ARG 19 6.743 29.765 4.373 155 HH22 ARG 19 HH22 ARG 19 7.414 29.014 5.781 156 H TRP 20 H TRP 20 8.100 28.514 -1.575 157 HA TRP 20 HA TRP 20 7.858 30.915 -3.254 158 HB2 TRP 20 HB2 TRP 20 7.620 27.989 -3.992 159 HB3 TRP 20 HB3 TRP 20 7.435 29.335 -5.114 160 HD1 TRP 20 HD1 TRP 20 9.898 26.892 -4.303 161 HE1 TRP 20 HE1 TRP 20 12.291 27.696 -4.802 162 HE3 TRP 20 HE3 TRP 20 8.998 31.906 -4.726 163 HZ2 TRP 20 HZ2 TRP 20 13.622 30.133 -5.308 164 HZ3 TRP 20 HZ3 TRP 20 10.885 33.406 -5.218 165 HH2 TRP 20 HH2 TRP 20 13.149 32.536 -5.502 166 H SER 21 H SER 21 5.825 30.864 -4.685 167 HA SER 21 HA SER 21 3.568 31.069 -3.009 168 HB2 SER 21 HB2 SER 21 2.305 31.423 -5.124 169 HB3 SER 21 HB3 SER 21 3.757 32.419 -5.022 170 HG SER 21 HG SER 21 4.748 31.144 -6.495 171 H THR 22 H THR 22 1.494 29.927 -3.346 172 HA THR 22 HA THR 22 1.666 27.224 -2.830 173 HB THR 22 HB THR 22 -0.353 28.551 -2.375 174 HG1 THR 22 HG1 THR 22 -1.121 26.470 -4.133 175 HG21 THR 22 HG21 THR 22 -0.142 29.470 -4.914 176 HG22 THR 22 HG22 THR 22 -1.618 29.562 -3.953 177 HG23 THR 22 HG23 THR 22 -1.401 28.252 -5.114 178 H GLU 23 H GLU 23 1.429 28.866 -5.923 179 HA GLU 23 HA GLU 23 0.802 26.656 -7.533 180 HB2 GLU 23 HB2 GLU 23 2.146 29.287 -8.040 181 HB3 GLU 23 HB3 GLU 23 2.088 28.074 -9.311 182 HG2 GLU 23 HG2 GLU 23 -0.426 28.833 -7.906 183 HG3 GLU 23 HG3 GLU 23 0.244 29.908 -9.132 184 H MET 24 H MET 24 3.940 28.016 -6.581 185 HA MET 24 HA MET 24 5.521 26.202 -8.053 186 HB2 MET 24 HB2 MET 24 5.991 28.108 -5.815 187 HB3 MET 24 HB3 MET 24 7.211 26.875 -6.103 188 HG2 MET 24 HG2 MET 24 6.220 28.532 -8.375 189 HG3 MET 24 HG3 MET 24 7.398 29.199 -7.246 190 HE1 MET 24 HE1 MET 24 8.267 29.465 -9.810 191 HE2 MET 24 HE2 MET 24 9.725 29.349 -8.824 192 HE3 MET 24 HE3 MET 24 9.594 28.420 -10.318 193 H VAL 25 H VAL 25 4.216 26.118 -4.779 194 HA VAL 25 HA VAL 25 5.612 23.788 -3.949 195 HB VAL 25 HB VAL 25 3.007 24.904 -2.899 196 HG11 VAL 25 HG11 VAL 25 4.979 23.025 -1.603 197 HG12 VAL 25 HG12 VAL 25 3.499 23.653 -0.876 198 HG13 VAL 25 HG13 VAL 25 3.409 22.565 -2.262 199 HG21 VAL 25 HG21 VAL 25 4.511 25.853 -1.115 200 HG22 VAL 25 HG22 VAL 25 5.875 25.443 -2.154 201 HG23 VAL 25 HG23 VAL 25 4.662 26.598 -2.707 202 H HIS 26 H HIS 26 2.528 24.347 -5.542 203 HA HIS 26 HA HIS 26 1.492 21.735 -5.270 204 HB2 HIS 26 HB2 HIS 26 0.512 24.092 -6.222 205 HB3 HIS 26 HB3 HIS 26 0.763 23.203 -7.722 206 HD1 HIS 26 HD1 HIS 26 -1.646 22.711 -8.272 207 HD2 HIS 26 HD2 HIS 26 -0.595 21.523 -4.432 208 HE1 HIS 26 HE1 HIS 26 -3.598 21.371 -7.425 209 H ARG 27 H ARG 27 3.096 23.297 -8.047 210 HA ARG 27 HA ARG 27 3.196 21.077 -9.715 211 HB2 ARG 27 HB2 ARG 27 5.139 22.229 -10.796 212 HB3 ARG 27 HB3 ARG 27 3.720 23.246 -10.586 213 HG2 ARG 27 HG2 ARG 27 4.784 24.167 -8.522 214 HG3 ARG 27 HG3 ARG 27 6.243 23.271 -8.950 215 HD2 ARG 27 HD2 ARG 27 4.909 25.475 -10.510 216 HD3 ARG 27 HD3 ARG 27 6.496 25.509 -9.743 217 HE ARG 27 HE ARG 27 6.543 23.429 -11.567 218 HH11 ARG 27 HH11 ARG 27 6.120 26.884 -11.620 219 HH12 ARG 27 HH12 ARG 27 6.792 27.073 -13.206 220 HH21 ARG 27 HH21 ARG 27 7.430 23.665 -13.656 221 HH22 ARG 27 HH22 ARG 27 7.536 25.241 -14.363 222 H CYS 28 H CYS 28 5.576 22.193 -7.325 223 HA CYS 28 HA CYS 28 7.581 20.344 -7.763 224 HB2 CYS 28 HB2 CYS 28 7.678 22.287 -6.184 225 HB3 CYS 28 HB3 CYS 28 6.705 21.355 -5.051 226 H GLU 29 H GLU 29 4.854 20.046 -5.485 227 HA GLU 29 HA GLU 29 5.425 17.475 -4.576 228 HB2 GLU 29 HB2 GLU 29 2.813 18.957 -4.846 229 HB3 GLU 29 HB3 GLU 29 2.928 17.370 -4.097 230 HG2 GLU 29 HG2 GLU 29 4.719 18.463 -2.596 231 HG3 GLU 29 HG3 GLU 29 4.022 19.984 -3.151 232 H LYS 30 H LYS 30 3.119 18.433 -7.122 233 HA LYS 30 HA LYS 30 2.367 15.893 -7.942 234 HB2 LYS 30 HB2 LYS 30 2.586 18.488 -9.460 235 HB3 LYS 30 HB3 LYS 30 1.943 17.024 -10.192 236 HG2 LYS 30 HG2 LYS 30 0.282 16.959 -8.285 237 HG3 LYS 30 HG3 LYS 30 0.822 18.592 -7.890 238 HD2 LYS 30 HD2 LYS 30 -1.060 18.908 -9.250 239 HD3 LYS 30 HD3 LYS 30 0.312 19.157 -10.333 240 HE2 LYS 30 HE2 LYS 30 0.083 16.780 -11.050 241 HE3 LYS 30 HE3 LYS 30 -1.386 16.678 -10.081 242 HZ1 LYS 30 HZ1 LYS 30 -2.541 17.978 -11.523 243 HZ2 LYS 30 HZ2 LYS 30 -1.463 17.273 -12.619 244 HZ3 LYS 30 HZ3 LYS 30 -1.181 18.839 -12.044 245 H LYS 31 H LYS 31 5.233 17.747 -8.723 246 HA LYS 31 HA LYS 31 6.118 16.146 -10.887 247 HB2 LYS 31 HB2 LYS 31 7.304 18.234 -9.139 248 HB3 LYS 31 HB3 LYS 31 8.426 17.172 -9.979 249 HG2 LYS 31 HG2 LYS 31 6.911 17.790 -12.050 250 HG3 LYS 31 HG3 LYS 31 6.565 19.213 -11.064 251 HD2 LYS 31 HD2 LYS 31 8.980 19.641 -10.870 252 HD3 LYS 31 HD3 LYS 31 9.299 18.242 -11.897 253 HE2 LYS 31 HE2 LYS 31 7.960 19.328 -13.688 254 HE3 LYS 31 HE3 LYS 31 7.812 20.753 -12.660 255 HZ1 LYS 31 HZ1 LYS 31 10.036 21.251 -12.882 256 HZ2 LYS 31 HZ2 LYS 31 9.672 20.655 -14.422 257 HZ3 LYS 31 HZ3 LYS 31 10.475 19.672 -13.304 258 H CYS 32 H CYS 32 7.073 16.220 -7.455 259 HA CYS 32 HA CYS 32 8.876 14.083 -7.558 260 HB2 CYS 32 HB2 CYS 32 7.221 15.248 -5.327 261 HB3 CYS 32 HB3 CYS 32 8.304 13.886 -5.058 262 H GLU 33 H GLU 33 5.416 14.144 -7.506 263 HA GLU 33 HA GLU 33 5.057 11.443 -6.626 264 HB2 GLU 33 HB2 GLU 33 3.305 13.592 -7.719 265 HB3 GLU 33 HB3 GLU 33 2.726 11.934 -7.811 266 HG2 GLU 33 HG2 GLU 33 3.747 13.034 -5.229 267 HG3 GLU 33 HG3 GLU 33 2.108 13.390 -5.770 268 H GLU 34 H GLU 34 5.041 13.074 -9.775 269 HA GLU 34 HA GLU 34 4.509 10.675 -11.242 270 HB2 GLU 34 HB2 GLU 34 5.047 12.064 -13.230 271 HB3 GLU 34 HB3 GLU 34 3.839 12.792 -12.182 272 HG2 GLU 34 HG2 GLU 34 5.527 14.263 -11.232 273 HG3 GLU 34 HG3 GLU 34 6.759 13.518 -12.248 274 H LYS 35 H LYS 35 7.392 12.537 -10.429 275 HA LYS 35 HA LYS 35 9.196 11.086 -12.054 276 HB2 LYS 35 HB2 LYS 35 9.323 13.292 -10.317 277 HB3 LYS 35 HB3 LYS 35 10.449 12.110 -9.663 278 HG2 LYS 35 HG2 LYS 35 11.291 11.951 -12.118 279 HG3 LYS 35 HG3 LYS 35 10.497 13.518 -12.292 280 HD2 LYS 35 HD2 LYS 35 11.826 14.069 -10.091 281 HD3 LYS 35 HD3 LYS 35 12.864 12.754 -10.646 282 HE2 LYS 35 HE2 LYS 35 12.086 15.055 -12.417 283 HE3 LYS 35 HE3 LYS 35 13.499 15.111 -11.365 284 HZ1 LYS 35 HZ1 LYS 35 14.170 14.408 -13.533 285 HZ2 LYS 35 HZ2 LYS 35 13.001 13.186 -13.568 286 HZ3 LYS 35 HZ3 LYS 35 14.301 13.081 -12.490 287 H PHE 36 H PHE 36 7.565 10.265 -9.200 288 HA PHE 36 HA PHE 36 9.540 8.456 -8.155 289 HB2 PHE 36 HB2 PHE 36 7.289 9.665 -7.118 290 HB3 PHE 36 HB3 PHE 36 6.773 7.993 -7.317 291 HD1 PHE 36 HD1 PHE 36 9.274 10.180 -5.715 292 HD2 PHE 36 HD2 PHE 36 7.556 6.290 -5.884 293 HE1 PHE 36 HE1 PHE 36 10.437 9.580 -3.631 294 HE2 PHE 36 HE2 PHE 36 8.716 5.684 -3.800 295 HZ PHE 36 HZ PHE 36 10.158 7.330 -2.671 296 H GLU 37 H GLU 37 6.565 8.176 -10.048 297 HA GLU 37 HA GLU 37 6.436 5.370 -10.114 298 HB2 GLU 37 HB2 GLU 37 4.801 7.328 -10.964 299 HB3 GLU 37 HB3 GLU 37 5.517 6.869 -12.503 300 HG2 GLU 37 HG2 GLU 37 4.898 4.440 -11.509 301 HG3 GLU 37 HG3 GLU 37 3.623 5.421 -10.789 302 H ARG 38 H ARG 38 7.486 3.867 -11.263 303 HA ARG 38 HA ARG 38 9.859 4.507 -12.649 304 HB2 ARG 38 HB2 ARG 38 8.297 2.041 -12.109 305 HB3 ARG 38 HB3 ARG 38 9.424 1.985 -13.458 306 HG2 ARG 38 HG2 ARG 38 11.205 2.777 -11.887 307 HG3 ARG 38 HG3 ARG 38 10.047 2.557 -10.574 308 HD2 ARG 38 HD2 ARG 38 11.186 0.549 -10.552 309 HD3 ARG 38 HD3 ARG 38 9.787 0.167 -11.554 310 HE ARG 38 HE ARG 38 12.086 1.056 -13.039 311 HH11 ARG 38 HH11 ARG 38 10.453 -1.676 -11.630 312 HH12 ARG 38 HH12 ARG 38 11.199 -2.831 -12.684 313 HH21 ARG 38 HH21 ARG 38 13.074 -0.455 -14.434 314 HH22 ARG 38 HH22 ARG 38 12.690 -2.135 -14.278 315 H GLN 39 H GLN 39 10.309 3.688 -14.913 316 HA GLN 39 HA GLN 39 9.988 3.869 -17.157 317 HB2 GLN 39 HB2 GLN 39 7.856 2.396 -16.221 318 HB3 GLN 39 HB3 GLN 39 7.067 3.678 -17.131 319 HG2 GLN 39 HG2 GLN 39 9.347 2.288 -18.415 320 HG3 GLN 39 HG3 GLN 39 7.831 1.403 -18.247 321 HE21 GLN 39 HE21 GLN 39 6.031 2.070 -19.389 322 HE22 GLN 39 HE22 GLN 39 6.122 3.204 -20.689 323 H GLN 40 H GLN 40 9.919 6.237 -15.519 324 HA GLN 40 HA GLN 40 7.922 7.957 -16.750 325 HB2 GLN 40 HB2 GLN 40 8.449 9.546 -15.138 326 HB3 GLN 40 HB3 GLN 40 8.714 8.034 -14.281 327 HG2 GLN 40 HG2 GLN 40 10.828 9.772 -15.533 328 HG3 GLN 40 HG3 GLN 40 10.491 9.600 -13.811 329 HE21 GLN 40 HE21 GLN 40 12.804 8.943 -15.734 330 HE22 GLN 40 HE22 GLN 40 13.267 7.347 -15.260 331 H ARG 41 H ARG 41 10.541 6.703 -17.965 332 HA ARG 41 HA ARG 41 11.142 9.055 -19.577 333 HB2 ARG 41 HB2 ARG 41 13.032 7.753 -17.711 334 HB3 ARG 41 HB3 ARG 41 13.660 8.097 -19.317 335 HG2 ARG 41 HG2 ARG 41 12.293 10.178 -17.638 336 HG3 ARG 41 HG3 ARG 41 14.028 9.865 -17.552 337 HD2 ARG 41 HD2 ARG 41 12.699 10.395 -20.182 338 HD3 ARG 41 HD3 ARG 41 13.154 11.729 -19.123 339 HE ARG 41 HE ARG 41 15.357 10.016 -19.438 340 HH11 ARG 41 HH11 ARG 41 13.440 12.283 -21.257 341 HH12 ARG 41 HH12 ARG 41 14.734 12.724 -22.321 342 HH21 ARG 41 HH21 ARG 41 17.069 10.589 -20.832 343 HH22 ARG 41 HH22 ARG 41 16.798 11.759 -22.079 Start of MODEL 2 1 H1 SER 1 H SER 1 5.046 -1.922 6.079 2 HA SER 1 HA SER 1 4.632 -0.133 4.734 3 HB2 SER 1 HB2 SER 1 5.136 1.008 7.076 4 HB3 SER 1 HB3 SER 1 6.559 1.601 6.220 5 HG SER 1 HG SER 1 4.033 1.830 5.020 6 H GLU 2 H GLU 2 6.504 -1.915 3.829 7 HA GLU 2 HA GLU 2 8.720 -0.323 2.770 8 HB2 GLU 2 HB2 GLU 2 8.201 -3.237 3.109 9 HB3 GLU 2 HB3 GLU 2 9.257 -2.738 1.795 10 HG2 GLU 2 HG2 GLU 2 10.414 -1.339 3.695 11 HG3 GLU 2 HG3 GLU 2 9.662 -2.550 4.732 12 H LYS 3 H LYS 3 8.263 0.755 0.969 13 HA LYS 3 HA LYS 3 7.315 -0.669 -1.352 14 HB2 LYS 3 HB2 LYS 3 5.603 1.284 0.109 15 HB3 LYS 3 HB3 LYS 3 5.576 1.324 -1.649 16 HG2 LYS 3 HG2 LYS 3 5.220 -1.271 -1.362 17 HG3 LYS 3 HG3 LYS 3 4.611 -0.773 0.218 18 HD2 LYS 3 HD2 LYS 3 3.666 0.548 -2.305 19 HD3 LYS 3 HD3 LYS 3 2.940 -0.954 -1.729 20 HE2 LYS 3 HE2 LYS 3 3.188 1.540 -0.058 21 HE3 LYS 3 HE3 LYS 3 1.760 1.138 -1.011 22 HZ1 LYS 3 HZ1 LYS 3 1.355 0.391 1.172 23 HZ2 LYS 3 HZ2 LYS 3 2.872 -0.346 1.300 24 HZ3 LYS 3 HZ3 LYS 3 1.699 -1.000 0.272 25 HA PRO 4 HA PRO 4 9.796 2.245 -3.496 26 HB2 PRO 4 HB2 PRO 4 8.443 2.569 -5.827 27 HB3 PRO 4 HB3 PRO 4 9.324 1.090 -5.425 28 HG2 PRO 4 HG2 PRO 4 6.395 1.668 -5.210 29 HG3 PRO 4 HG3 PRO 4 7.206 0.209 -5.808 30 HD2 PRO 4 HD2 PRO 4 6.154 0.374 -3.318 31 HD3 PRO 4 HD3 PRO 4 7.593 -0.598 -3.684 32 H GLN 5 H GLN 5 6.592 3.037 -2.622 33 HA GLN 5 HA GLN 5 6.480 5.666 -3.712 34 HB2 GLN 5 HB2 GLN 5 4.898 4.120 -1.707 35 HB3 GLN 5 HB3 GLN 5 4.704 5.867 -1.762 36 HG2 GLN 5 HG2 GLN 5 3.939 5.802 -4.001 37 HG3 GLN 5 HG3 GLN 5 4.405 4.111 -4.180 38 HE21 GLN 5 HE21 GLN 5 1.891 4.882 -4.837 39 HE22 GLN 5 HE22 GLN 5 0.757 4.266 -3.688 40 H GLN 6 H GLN 6 8.288 4.342 -1.224 41 HA GLN 6 HA GLN 6 8.286 6.272 0.769 42 HB2 GLN 6 HB2 GLN 6 10.375 5.392 1.470 43 HB3 GLN 6 HB3 GLN 6 9.483 4.043 0.779 44 HG2 GLN 6 HG2 GLN 6 11.484 3.682 -0.208 45 HG3 GLN 6 HG3 GLN 6 10.790 4.778 -1.401 46 HE21 GLN 6 HE21 GLN 6 13.284 4.797 -1.688 47 HE22 GLN 6 HE22 GLN 6 14.096 6.102 -0.899 48 H GLU 7 H GLU 7 9.770 6.310 -2.392 49 HA GLU 7 HA GLU 7 11.450 8.573 -1.887 50 HB2 GLU 7 HB2 GLU 7 10.917 6.762 -4.089 51 HB3 GLU 7 HB3 GLU 7 11.022 8.428 -4.643 52 HG2 GLU 7 HG2 GLU 7 13.180 8.393 -3.095 53 HG3 GLU 7 HG3 GLU 7 13.104 6.676 -3.483 54 H LEU 8 H LEU 8 8.165 8.094 -2.898 55 HA LEU 8 HA LEU 8 7.737 10.646 -4.061 56 HB2 LEU 8 HB2 LEU 8 6.300 8.629 -4.386 57 HB3 LEU 8 HB3 LEU 8 5.702 8.857 -2.744 58 HG LEU 8 HG LEU 8 4.724 10.998 -3.385 59 HD11 LEU 8 HD11 LEU 8 4.692 11.712 -5.713 60 HD12 LEU 8 HD12 LEU 8 5.730 10.356 -6.154 61 HD13 LEU 8 HD13 LEU 8 6.345 11.630 -5.101 62 HD21 LEU 8 HD21 LEU 8 3.609 9.449 -5.563 63 HD22 LEU 8 HD22 LEU 8 2.873 9.948 -4.040 64 HD23 LEU 8 HD23 LEU 8 3.839 8.473 -4.112 65 H GLU 9 H GLU 9 6.836 9.338 -0.867 66 HA GLU 9 HA GLU 9 5.755 11.616 0.245 67 HB2 GLU 9 HB2 GLU 9 6.394 10.674 2.440 68 HB3 GLU 9 HB3 GLU 9 5.661 9.479 1.380 69 HG2 GLU 9 HG2 GLU 9 7.769 8.482 0.912 70 HG3 GLU 9 HG3 GLU 9 8.630 9.790 1.721 71 H GLU 10 H GLU 10 9.117 10.801 -0.261 72 HA GLU 10 HA GLU 10 10.162 12.894 1.389 73 HB2 GLU 10 HB2 GLU 10 11.474 11.272 -0.799 74 HB3 GLU 10 HB3 GLU 10 12.320 12.348 0.303 75 HG2 GLU 10 HG2 GLU 10 10.638 10.148 1.402 76 HG3 GLU 10 HG3 GLU 10 12.240 9.789 0.760 77 H CYS 11 H CYS 11 9.545 12.490 -2.068 78 HA CYS 11 HA CYS 11 10.714 14.901 -2.928 79 HB2 CYS 11 HB2 CYS 11 9.834 12.838 -4.280 80 HB3 CYS 11 HB3 CYS 11 8.320 13.736 -4.304 81 H GLN 12 H GLN 12 7.332 14.112 -2.150 82 HA GLN 12 HA GLN 12 6.326 16.710 -2.594 83 HB2 GLN 12 HB2 GLN 12 5.213 14.576 -0.766 84 HB3 GLN 12 HB3 GLN 12 4.333 15.950 -1.422 85 HG2 GLN 12 HG2 GLN 12 5.117 14.885 -3.714 86 HG3 GLN 12 HG3 GLN 12 5.162 13.425 -2.729 87 HE21 GLN 12 HE21 GLN 12 3.312 14.999 -4.819 88 HE22 GLN 12 HE22 GLN 12 1.737 14.567 -4.255 89 H ASN 13 H ASN 13 7.452 15.064 0.334 90 HA ASN 13 HA ASN 13 6.780 16.987 2.217 91 HB2 ASN 13 HB2 ASN 13 8.901 14.888 2.053 92 HB3 ASN 13 HB3 ASN 13 8.985 16.070 3.355 93 HD21 ASN 13 HD21 ASN 13 8.677 14.302 4.798 94 HD22 ASN 13 HD22 ASN 13 7.093 13.671 5.079 95 H VAL 14 H VAL 14 9.606 16.789 0.111 96 HA VAL 14 HA VAL 14 10.980 19.001 1.248 97 HB VAL 14 HB VAL 14 11.238 17.791 -1.508 98 HG11 VAL 14 HG11 VAL 14 12.527 19.549 -1.961 99 HG12 VAL 14 HG12 VAL 14 12.462 20.115 -0.291 100 HG13 VAL 14 HG13 VAL 14 13.664 18.916 -0.772 101 HG21 VAL 14 HG21 VAL 14 13.330 17.331 0.495 102 HG22 VAL 14 HG22 VAL 14 11.775 16.589 0.874 103 HG23 VAL 14 HG23 VAL 14 12.584 16.212 -0.647 104 H CYS 15 H CYS 15 8.791 18.646 -1.511 105 HA CYS 15 HA CYS 15 9.010 21.205 -2.579 106 HB2 CYS 15 HB2 CYS 15 6.609 19.368 -2.474 107 HB3 CYS 15 HB3 CYS 15 6.713 20.810 -3.479 108 H ARG 16 H ARG 16 6.935 20.006 0.026 109 HA ARG 16 HA ARG 16 5.491 22.408 0.406 110 HB2 ARG 16 HB2 ARG 16 6.064 20.232 2.425 111 HB3 ARG 16 HB3 ARG 16 4.785 21.435 2.525 112 HG2 ARG 16 HG2 ARG 16 3.473 20.374 1.005 113 HG3 ARG 16 HG3 ARG 16 4.846 19.703 0.123 114 HD2 ARG 16 HD2 ARG 16 5.227 18.252 2.197 115 HD3 ARG 16 HD3 ARG 16 3.600 18.736 2.677 116 HE ARG 16 HE ARG 16 3.783 17.664 0.009 117 HH11 ARG 16 HH11 ARG 16 3.327 16.942 3.384 118 HH12 ARG 16 HH12 ARG 16 2.502 15.448 3.087 119 HH21 ARG 16 HH21 ARG 16 2.697 15.698 -0.395 120 HH22 ARG 16 HH22 ARG 16 2.145 14.741 0.937 121 H MET 17 H MET 17 8.665 21.442 1.280 122 HA MET 17 HA MET 17 8.921 23.399 3.408 123 HB2 MET 17 HB2 MET 17 10.656 21.265 2.255 124 HB3 MET 17 HB3 MET 17 11.430 22.594 3.107 125 HG2 MET 17 HG2 MET 17 9.600 22.002 4.925 126 HG3 MET 17 HG3 MET 17 9.693 20.429 4.138 127 HE1 MET 17 HE1 MET 17 10.143 20.440 6.966 128 HE2 MET 17 HE2 MET 17 11.792 20.486 7.592 129 HE3 MET 17 HE3 MET 17 10.929 21.990 7.266 130 H LYS 18 H LYS 18 8.742 23.683 0.201 131 HA LYS 18 HA LYS 18 11.022 25.315 -0.378 132 HB2 LYS 18 HB2 LYS 18 8.407 24.928 -1.842 133 HB3 LYS 18 HB3 LYS 18 9.755 25.871 -2.464 134 HG2 LYS 18 HG2 LYS 18 9.774 22.923 -1.848 135 HG3 LYS 18 HG3 LYS 18 9.737 23.664 -3.450 136 HD2 LYS 18 HD2 LYS 18 11.917 24.839 -2.686 137 HD3 LYS 18 HD3 LYS 18 11.971 23.574 -1.455 138 HE2 LYS 18 HE2 LYS 18 11.951 23.222 -4.448 139 HE3 LYS 18 HE3 LYS 18 13.271 22.859 -3.338 140 HZ1 LYS 18 HZ1 LYS 18 12.428 20.797 -3.462 141 HZ2 LYS 18 HZ2 LYS 18 10.896 21.317 -3.954 142 HZ3 LYS 18 HZ3 LYS 18 11.318 21.361 -2.317 143 H ARG 19 H ARG 19 11.090 27.559 -0.686 144 HA ARG 19 HA ARG 19 9.169 29.024 0.960 145 HB2 ARG 19 HB2 ARG 19 11.821 29.150 1.033 146 HB3 ARG 19 HB3 ARG 19 11.563 30.336 -0.240 147 HG2 ARG 19 HG2 ARG 19 9.899 31.420 1.391 148 HG3 ARG 19 HG3 ARG 19 10.688 30.428 2.619 149 HD2 ARG 19 HD2 ARG 19 11.973 32.494 0.840 150 HD3 ARG 19 HD3 ARG 19 11.725 32.597 2.582 151 HE ARG 19 HE ARG 19 13.252 30.321 2.069 152 HH11 ARG 19 HH11 ARG 19 13.520 33.782 1.803 153 HH12 ARG 19 HH12 ARG 19 15.238 33.797 2.022 154 HH21 ARG 19 HH21 ARG 19 15.514 30.327 2.359 155 HH22 ARG 19 HH22 ARG 19 16.372 31.831 2.338 156 H TRP 20 H TRP 20 8.490 28.087 -1.727 157 HA TRP 20 HA TRP 20 8.240 30.635 -3.170 158 HB2 TRP 20 HB2 TRP 20 7.720 27.847 -4.218 159 HB3 TRP 20 HB3 TRP 20 7.802 29.333 -5.159 160 HD1 TRP 20 HD1 TRP 20 10.498 30.524 -3.969 161 HE1 TRP 20 HE1 TRP 20 12.741 29.402 -4.545 162 HE3 TRP 20 HE3 TRP 20 8.774 25.895 -5.289 163 HZ2 TRP 20 HZ2 TRP 20 13.659 26.887 -5.442 164 HZ3 TRP 20 HZ3 TRP 20 10.400 24.189 -5.994 165 HH2 TRP 20 HH2 TRP 20 12.791 24.676 -6.069 166 H SER 21 H SER 21 6.150 30.903 -4.393 167 HA SER 21 HA SER 21 4.001 31.082 -2.660 168 HB2 SER 21 HB2 SER 21 2.622 31.520 -4.640 169 HB3 SER 21 HB3 SER 21 4.171 32.352 -4.767 170 HG SER 21 HG SER 21 4.329 31.357 -6.606 171 H THR 22 H THR 22 1.943 29.975 -2.657 172 HA THR 22 HA THR 22 2.098 27.257 -2.221 173 HB THR 22 HB THR 22 0.221 28.586 -1.412 174 HG1 THR 22 HG1 THR 22 -0.844 26.767 -1.408 175 HG21 THR 22 HG21 THR 22 -0.914 28.578 -4.197 176 HG22 THR 22 HG22 THR 22 0.053 29.921 -3.587 177 HG23 THR 22 HG23 THR 22 -1.459 29.489 -2.790 178 H GLU 23 H GLU 23 1.594 28.972 -5.216 179 HA GLU 23 HA GLU 23 0.564 26.876 -6.774 180 HB2 GLU 23 HB2 GLU 23 2.068 29.392 -7.390 181 HB3 GLU 23 HB3 GLU 23 1.771 28.223 -8.668 182 HG2 GLU 23 HG2 GLU 23 -0.490 29.177 -6.973 183 HG3 GLU 23 HG3 GLU 23 0.117 30.184 -8.286 184 H MET 24 H MET 24 3.909 27.912 -6.191 185 HA MET 24 HA MET 24 5.120 26.001 -7.877 186 HB2 MET 24 HB2 MET 24 6.089 27.677 -5.584 187 HB3 MET 24 HB3 MET 24 7.138 26.457 -6.295 188 HG2 MET 24 HG2 MET 24 6.348 27.710 -8.524 189 HG3 MET 24 HG3 MET 24 6.226 29.042 -7.377 190 HE1 MET 24 HE1 MET 24 8.115 27.465 -9.859 191 HE2 MET 24 HE2 MET 24 9.833 27.654 -9.509 192 HE3 MET 24 HE3 MET 24 8.936 26.301 -8.818 193 H VAL 25 H VAL 25 4.019 25.890 -4.560 194 HA VAL 25 HA VAL 25 5.356 23.470 -3.861 195 HB VAL 25 HB VAL 25 2.867 24.620 -2.596 196 HG11 VAL 25 HG11 VAL 25 3.618 23.416 -0.606 197 HG12 VAL 25 HG12 VAL 25 3.359 22.313 -1.959 198 HG13 VAL 25 HG13 VAL 25 4.997 22.783 -1.504 199 HG21 VAL 25 HG21 VAL 25 5.693 25.463 -2.492 200 HG22 VAL 25 HG22 VAL 25 4.219 26.396 -2.233 201 HG23 VAL 25 HG23 VAL 25 4.851 25.372 -0.945 202 H HIS 26 H HIS 26 2.088 24.247 -4.991 203 HA HIS 26 HA HIS 26 1.037 21.641 -4.811 204 HB2 HIS 26 HB2 HIS 26 0.279 24.024 -6.497 205 HB3 HIS 26 HB3 HIS 26 -0.621 22.511 -6.545 206 HD1 HIS 26 HD1 HIS 26 -2.650 23.998 -5.655 207 HD2 HIS 26 HD2 HIS 26 0.510 23.475 -3.009 208 HE1 HIS 26 HE1 HIS 26 -3.549 24.646 -3.397 209 H ARG 27 H ARG 27 2.239 23.412 -7.666 210 HA ARG 27 HA ARG 27 2.044 21.343 -9.503 211 HB2 ARG 27 HB2 ARG 27 3.847 22.554 -10.756 212 HB3 ARG 27 HB3 ARG 27 2.493 23.565 -10.267 213 HG2 ARG 27 HG2 ARG 27 4.084 24.961 -9.550 214 HG3 ARG 27 HG3 ARG 27 4.169 23.879 -8.158 215 HD2 ARG 27 HD2 ARG 27 6.372 23.899 -8.732 216 HD3 ARG 27 HD3 ARG 27 5.831 22.569 -9.754 217 HE ARG 27 HE ARG 27 5.578 24.978 -11.174 218 HH11 ARG 27 HH11 ARG 27 8.030 22.848 -9.922 219 HH12 ARG 27 HH12 ARG 27 9.196 23.266 -11.133 220 HH21 ARG 27 HH21 ARG 27 7.104 25.537 -12.774 221 HH22 ARG 27 HH22 ARG 27 8.668 24.796 -12.755 222 H CYS 28 H CYS 28 4.764 22.202 -7.390 223 HA CYS 28 HA CYS 28 6.638 20.373 -8.277 224 HB2 CYS 28 HB2 CYS 28 7.026 22.163 -6.576 225 HB3 CYS 28 HB3 CYS 28 6.184 21.165 -5.394 226 H GLU 29 H GLU 29 4.177 19.916 -5.747 227 HA GLU 29 HA GLU 29 4.833 17.245 -5.157 228 HB2 GLU 29 HB2 GLU 29 2.262 18.792 -4.828 229 HB3 GLU 29 HB3 GLU 29 2.479 17.152 -4.234 230 HG2 GLU 29 HG2 GLU 29 4.481 18.048 -2.952 231 HG3 GLU 29 HG3 GLU 29 3.868 19.654 -3.341 232 H LYS 30 H LYS 30 2.211 18.555 -7.186 233 HA LYS 30 HA LYS 30 1.176 16.151 -8.100 234 HB2 LYS 30 HB2 LYS 30 1.119 18.956 -8.983 235 HB3 LYS 30 HB3 LYS 30 0.852 17.786 -10.269 236 HG2 LYS 30 HG2 LYS 30 -0.707 17.055 -7.989 237 HG3 LYS 30 HG3 LYS 30 -0.999 18.749 -8.388 238 HD2 LYS 30 HD2 LYS 30 -1.120 16.485 -10.378 239 HD3 LYS 30 HD3 LYS 30 -2.525 17.157 -9.547 240 HE2 LYS 30 HE2 LYS 30 -0.648 18.672 -11.359 241 HE3 LYS 30 HE3 LYS 30 -2.262 18.106 -11.788 242 HZ1 LYS 30 HZ1 LYS 30 -3.037 20.012 -11.007 243 HZ2 LYS 30 HZ2 LYS 30 -1.513 20.475 -10.440 244 HZ3 LYS 30 HZ3 LYS 30 -2.541 19.563 -9.454 245 H LYS 31 H LYS 31 3.998 17.931 -9.168 246 HA LYS 31 HA LYS 31 4.432 16.501 -11.576 247 HB2 LYS 31 HB2 LYS 31 6.129 18.244 -9.824 248 HB3 LYS 31 HB3 LYS 31 6.872 17.339 -11.137 249 HG2 LYS 31 HG2 LYS 31 4.502 19.106 -11.617 250 HG3 LYS 31 HG3 LYS 31 6.144 19.753 -11.580 251 HD2 LYS 31 HD2 LYS 31 6.720 17.966 -13.295 252 HD3 LYS 31 HD3 LYS 31 4.981 17.717 -13.466 253 HE2 LYS 31 HE2 LYS 31 6.168 20.456 -13.711 254 HE3 LYS 31 HE3 LYS 31 6.189 19.343 -15.078 255 HZ1 LYS 31 HZ1 LYS 31 3.613 19.398 -13.924 256 HZ2 LYS 31 HZ2 LYS 31 4.080 19.815 -15.495 257 HZ3 LYS 31 HZ3 LYS 31 4.105 20.980 -14.269 258 H CYS 32 H CYS 32 5.931 16.211 -8.355 259 HA CYS 32 HA CYS 32 7.554 14.008 -8.929 260 HB2 CYS 32 HB2 CYS 32 6.347 15.037 -6.368 261 HB3 CYS 32 HB3 CYS 32 7.371 13.605 -6.394 262 H GLU 33 H GLU 33 4.156 14.228 -8.325 263 HA GLU 33 HA GLU 33 3.771 11.479 -7.623 264 HB2 GLU 33 HB2 GLU 33 2.013 13.803 -8.230 265 HB3 GLU 33 HB3 GLU 33 1.320 12.195 -8.388 266 HG2 GLU 33 HG2 GLU 33 2.794 12.929 -5.902 267 HG3 GLU 33 HG3 GLU 33 1.140 13.488 -6.141 268 H GLU 34 H GLU 34 3.352 13.389 -10.582 269 HA GLU 34 HA GLU 34 2.461 11.161 -12.139 270 HB2 GLU 34 HB2 GLU 34 2.770 12.700 -14.066 271 HB3 GLU 34 HB3 GLU 34 1.779 13.381 -12.783 272 HG2 GLU 34 HG2 GLU 34 3.674 14.684 -11.991 273 HG3 GLU 34 HG3 GLU 34 4.692 13.982 -13.246 274 H LYS 35 H LYS 35 5.542 12.804 -11.644 275 HA LYS 35 HA LYS 35 6.975 11.405 -13.650 276 HB2 LYS 35 HB2 LYS 35 7.515 13.426 -11.718 277 HB3 LYS 35 HB3 LYS 35 8.721 12.160 -11.523 278 HG2 LYS 35 HG2 LYS 35 9.587 12.474 -13.636 279 HG3 LYS 35 HG3 LYS 35 8.106 13.214 -14.247 280 HD2 LYS 35 HD2 LYS 35 9.376 15.092 -14.033 281 HD3 LYS 35 HD3 LYS 35 8.713 15.027 -12.398 282 HE2 LYS 35 HE2 LYS 35 11.346 13.792 -13.185 283 HE3 LYS 35 HE3 LYS 35 11.190 15.426 -12.540 284 HZ1 LYS 35 HZ1 LYS 35 10.970 12.870 -11.184 285 HZ2 LYS 35 HZ2 LYS 35 9.840 14.039 -10.716 286 HZ3 LYS 35 HZ3 LYS 35 11.496 14.367 -10.597 287 H PHE 36 H PHE 36 5.783 10.453 -10.626 288 HA PHE 36 HA PHE 36 7.793 8.522 -9.979 289 HB2 PHE 36 HB2 PHE 36 5.689 9.668 -8.616 290 HB3 PHE 36 HB3 PHE 36 5.124 8.022 -8.885 291 HD1 PHE 36 HD2 PHE 36 7.902 10.018 -7.472 292 HD2 PHE 36 HD1 PHE 36 5.944 6.240 -7.606 293 HE1 PHE 36 HE2 PHE 36 9.270 9.246 -5.579 294 HE2 PHE 36 HE1 PHE 36 7.309 5.462 -5.712 295 HZ PHE 36 HZ PHE 36 8.975 6.965 -4.696 296 H GLU 37 H GLU 37 5.107 8.606 -12.104 297 HA GLU 37 HA GLU 37 4.338 5.926 -12.186 298 HB2 GLU 37 HB2 GLU 37 3.517 8.145 -13.468 299 HB3 GLU 37 HB3 GLU 37 4.440 7.393 -14.761 300 HG2 GLU 37 HG2 GLU 37 2.987 5.287 -13.882 301 HG3 GLU 37 HG3 GLU 37 1.875 6.619 -13.571 302 H ARG 38 H ARG 38 7.208 7.466 -13.311 303 HA ARG 38 HA ARG 38 8.225 4.888 -14.224 304 HB2 ARG 38 HB2 ARG 38 7.281 6.358 -16.163 305 HB3 ARG 38 HB3 ARG 38 8.750 7.298 -15.930 306 HG2 ARG 38 HG2 ARG 38 10.095 5.300 -16.340 307 HG3 ARG 38 HG3 ARG 38 8.620 4.360 -16.576 308 HD2 ARG 38 HD2 ARG 38 8.019 5.846 -18.456 309 HD3 ARG 38 HD3 ARG 38 9.549 6.696 -18.242 310 HE ARG 38 HE ARG 38 10.245 4.069 -18.554 311 HH11 ARG 38 HH11 ARG 38 8.435 6.393 -20.410 312 HH12 ARG 38 HH12 ARG 38 8.852 5.692 -21.938 313 HH21 ARG 38 HH21 ARG 38 10.801 3.137 -20.561 314 HH22 ARG 38 HH22 ARG 38 10.197 3.839 -22.023 315 H GLN 39 H GLN 39 9.867 4.627 -12.849 316 HA GLN 39 HA GLN 39 11.367 6.800 -11.767 317 HB2 GLN 39 HB2 GLN 39 10.954 4.150 -11.081 318 HB3 GLN 39 HB3 GLN 39 12.642 4.183 -11.572 319 HG2 GLN 39 HG2 GLN 39 11.559 6.198 -9.644 320 HG3 GLN 39 HG3 GLN 39 12.062 4.596 -9.107 321 HE21 GLN 39 HE21 GLN 39 14.271 3.956 -9.569 322 HE22 GLN 39 HE22 GLN 39 15.506 5.163 -9.615 323 H GLN 40 H GLN 40 13.032 7.823 -12.645 324 HA GLN 40 HA GLN 40 15.054 6.482 -14.149 325 HB2 GLN 40 HB2 GLN 40 14.733 7.446 -16.288 326 HB3 GLN 40 HB3 GLN 40 13.172 6.785 -15.820 327 HG2 GLN 40 HG2 GLN 40 12.485 8.798 -16.582 328 HG3 GLN 40 HG3 GLN 40 12.820 9.245 -14.910 329 HE21 GLN 40 HE21 GLN 40 13.270 11.368 -15.326 330 HE22 GLN 40 HE22 GLN 40 14.667 11.889 -16.200 331 H ARG 41 H ARG 41 16.684 8.096 -15.023 332 HA ARG 41 HA ARG 41 16.646 10.668 -13.650 333 HB2 ARG 41 HB2 ARG 41 18.276 8.388 -12.842 334 HB3 ARG 41 HB3 ARG 41 19.243 9.813 -13.202 335 HG2 ARG 41 HG2 ARG 41 16.924 9.734 -11.283 336 HG3 ARG 41 HG3 ARG 41 18.628 9.656 -10.832 337 HD2 ARG 41 HD2 ARG 41 18.459 11.884 -12.473 338 HD3 ARG 41 HD3 ARG 41 16.985 11.949 -11.508 339 HE ARG 41 HE ARG 41 18.255 12.455 -9.674 340 HH11 ARG 41 HH11 ARG 41 20.319 11.172 -12.167 341 HH12 ARG 41 HH12 ARG 41 21.786 11.524 -11.315 342 HH21 ARG 41 HH21 ARG 41 20.180 12.924 -8.543 343 HH22 ARG 41 HH22 ARG 41 21.706 12.520 -9.253 Start of MODEL 3 1 H1 SER 1 H SER 1 9.200 -2.858 -7.895 2 HA SER 1 HA SER 1 7.497 -5.237 -7.543 3 HB2 SER 1 HB2 SER 1 9.465 -6.499 -6.956 4 HB3 SER 1 HB3 SER 1 9.790 -5.664 -8.475 5 HG SER 1 HG SER 1 11.296 -4.538 -7.525 6 H GLU 2 H GLU 2 9.099 -2.577 -6.011 7 HA GLU 2 HA GLU 2 8.053 -3.478 -3.407 8 HB2 GLU 2 HB2 GLU 2 9.949 -1.723 -2.658 9 HB3 GLU 2 HB3 GLU 2 10.249 -3.445 -2.847 10 HG2 GLU 2 HG2 GLU 2 11.254 -3.141 -4.956 11 HG3 GLU 2 HG3 GLU 2 10.677 -1.480 -5.074 12 H LYS 3 H LYS 3 8.637 -0.748 -5.554 13 HA LYS 3 HA LYS 3 7.649 1.292 -5.742 14 HB2 LYS 3 HB2 LYS 3 5.604 -0.335 -5.493 15 HB3 LYS 3 HB3 LYS 3 5.434 0.432 -3.919 16 HG2 LYS 3 HG2 LYS 3 5.230 2.608 -4.979 17 HG3 LYS 3 HG3 LYS 3 5.455 1.869 -6.566 18 HD2 LYS 3 HD2 LYS 3 3.158 2.030 -6.458 19 HD3 LYS 3 HD3 LYS 3 3.421 0.394 -5.849 20 HE2 LYS 3 HE2 LYS 3 2.950 0.990 -3.669 21 HE3 LYS 3 HE3 LYS 3 3.351 2.686 -3.936 22 HZ1 LYS 3 HZ1 LYS 3 0.916 2.107 -3.676 23 HZ2 LYS 3 HZ2 LYS 3 1.008 1.414 -5.216 24 HZ3 LYS 3 HZ3 LYS 3 1.325 3.063 -5.011 25 HA PRO 4 HA PRO 4 9.312 2.454 -1.571 26 HB2 PRO 4 HB2 PRO 4 11.193 4.154 -2.540 27 HB3 PRO 4 HB3 PRO 4 11.473 2.419 -2.349 28 HG2 PRO 4 HG2 PRO 4 10.750 3.962 -4.811 29 HG3 PRO 4 HG3 PRO 4 11.935 2.658 -4.616 30 HD2 PRO 4 HD2 PRO 4 9.472 2.243 -5.660 31 HD3 PRO 4 HD3 PRO 4 10.326 1.010 -4.710 32 H GLN 5 H GLN 5 7.043 3.430 -1.714 33 HA GLN 5 HA GLN 5 6.712 6.043 -2.776 34 HB2 GLN 5 HB2 GLN 5 4.596 6.063 -1.641 35 HB3 GLN 5 HB3 GLN 5 4.848 4.453 -2.303 36 HG2 GLN 5 HG2 GLN 5 5.675 3.771 -0.026 37 HG3 GLN 5 HG3 GLN 5 5.095 5.330 0.558 38 HE21 GLN 5 HE21 GLN 5 4.060 3.197 1.729 39 HE22 GLN 5 HE22 GLN 5 2.439 2.907 1.210 40 H GLN 6 H GLN 6 8.181 4.844 0.065 41 HA GLN 6 HA GLN 6 7.768 6.883 1.903 42 HB2 GLN 6 HB2 GLN 6 10.119 5.067 1.416 43 HB3 GLN 6 HB3 GLN 6 10.109 6.236 2.730 44 HG2 GLN 6 HG2 GLN 6 9.421 4.219 3.690 45 HG3 GLN 6 HG3 GLN 6 7.945 5.161 3.483 46 HE21 GLN 6 HE21 GLN 6 6.315 3.962 2.855 47 HE22 GLN 6 HE22 GLN 6 6.387 2.617 1.773 48 H GLU 7 H GLU 7 9.709 6.834 -0.973 49 HA GLU 7 HA GLU 7 11.352 9.072 -0.320 50 HB2 GLU 7 HB2 GLU 7 11.009 7.261 -2.548 51 HB3 GLU 7 HB3 GLU 7 11.158 8.919 -3.114 52 HG2 GLU 7 HG2 GLU 7 13.100 7.471 -1.329 53 HG3 GLU 7 HG3 GLU 7 13.320 7.831 -3.040 54 H LEU 8 H LEU 8 8.267 8.655 -1.960 55 HA LEU 8 HA LEU 8 7.980 11.192 -3.072 56 HB2 LEU 8 HB2 LEU 8 6.489 9.300 -3.534 57 HB3 LEU 8 HB3 LEU 8 5.840 9.420 -1.900 58 HG LEU 8 HG LEU 8 4.994 11.697 -2.482 59 HD11 LEU 8 HD11 LEU 8 6.640 11.967 -4.392 60 HD12 LEU 8 HD12 LEU 8 4.981 12.479 -4.700 61 HD13 LEU 8 HD13 LEU 8 5.559 10.938 -5.334 62 HD21 LEU 8 HD21 LEU 8 3.303 10.152 -2.537 63 HD22 LEU 8 HD22 LEU 8 4.074 9.188 -3.797 64 HD23 LEU 8 HD23 LEU 8 3.280 10.708 -4.211 65 H GLU 9 H GLU 9 6.996 10.020 0.138 66 HA GLU 9 HA GLU 9 5.783 12.299 1.111 67 HB2 GLU 9 HB2 GLU 9 7.419 10.178 2.486 68 HB3 GLU 9 HB3 GLU 9 6.671 11.492 3.383 69 HG2 GLU 9 HG2 GLU 9 4.974 9.900 1.539 70 HG3 GLU 9 HG3 GLU 9 5.472 9.174 3.066 71 H GLU 10 H GLU 10 9.226 11.511 0.992 72 HA GLU 10 HA GLU 10 10.122 13.756 2.458 73 HB2 GLU 10 HB2 GLU 10 11.629 12.222 0.335 74 HB3 GLU 10 HB3 GLU 10 12.326 13.225 1.599 75 HG2 GLU 10 HG2 GLU 10 10.690 10.767 2.153 76 HG3 GLU 10 HG3 GLU 10 12.444 10.754 1.986 77 H CYS 11 H CYS 11 9.657 13.180 -1.002 78 HA CYS 11 HA CYS 11 10.752 15.582 -1.943 79 HB2 CYS 11 HB2 CYS 11 9.929 13.445 -3.216 80 HB3 CYS 11 HB3 CYS 11 8.398 14.309 -3.294 81 H GLN 12 H GLN 12 7.336 14.762 -1.328 82 HA GLN 12 HA GLN 12 6.327 17.337 -1.829 83 HB2 GLN 12 HB2 GLN 12 5.170 15.208 -0.020 84 HB3 GLN 12 HB3 GLN 12 4.298 16.572 -0.707 85 HG2 GLN 12 HG2 GLN 12 5.043 15.578 -2.981 86 HG3 GLN 12 HG3 GLN 12 5.307 14.105 -2.048 87 HE21 GLN 12 HE21 GLN 12 3.233 15.320 -4.077 88 HE22 GLN 12 HE22 GLN 12 1.732 14.756 -3.436 89 H ASN 13 H ASN 13 7.370 15.765 1.167 90 HA ASN 13 HA ASN 13 6.583 17.667 3.011 91 HB2 ASN 13 HB2 ASN 13 8.862 15.723 2.912 92 HB3 ASN 13 HB3 ASN 13 8.770 16.884 4.233 93 HD21 ASN 13 HD21 ASN 13 8.485 15.190 5.708 94 HD22 ASN 13 HD22 ASN 13 6.971 14.373 5.862 95 H VAL 14 H VAL 14 9.518 17.580 1.032 96 HA VAL 14 HA VAL 14 10.664 19.930 2.160 97 HB VAL 14 HB VAL 14 11.220 18.626 -0.509 98 HG11 VAL 14 HG11 VAL 14 12.189 20.689 -0.765 99 HG12 VAL 14 HG12 VAL 14 12.484 20.888 0.963 100 HG13 VAL 14 HG13 VAL 14 13.506 19.810 0.011 101 HG21 VAL 14 HG21 VAL 14 13.206 18.311 1.587 102 HG22 VAL 14 HG22 VAL 14 11.650 17.605 2.023 103 HG23 VAL 14 HG23 VAL 14 12.464 17.099 0.543 104 H CYS 15 H CYS 15 8.565 19.287 -0.587 105 HA CYS 15 HA CYS 15 8.746 21.761 -1.876 106 HB2 CYS 15 HB2 CYS 15 6.449 19.804 -1.696 107 HB3 CYS 15 HB3 CYS 15 6.463 21.199 -2.771 108 H ARG 16 H ARG 16 6.657 20.686 0.768 109 HA ARG 16 HA ARG 16 5.128 23.072 0.913 110 HB2 ARG 16 HB2 ARG 16 5.638 21.065 3.114 111 HB3 ARG 16 HB3 ARG 16 4.308 22.212 3.023 112 HG2 ARG 16 HG2 ARG 16 3.346 21.056 1.168 113 HG3 ARG 16 HG3 ARG 16 4.759 20.008 1.026 114 HD2 ARG 16 HD2 ARG 16 2.800 20.100 3.316 115 HD3 ARG 16 HD3 ARG 16 2.959 18.817 2.117 116 HE ARG 16 HE ARG 16 5.425 19.165 3.407 117 HH11 ARG 16 HH11 ARG 16 2.202 18.023 4.062 118 HH12 ARG 16 HH12 ARG 16 2.706 16.909 5.289 119 HH21 ARG 16 HH21 ARG 16 6.101 17.702 5.021 120 HH22 ARG 16 HH22 ARG 16 4.923 16.727 5.835 121 H MET 17 H MET 17 8.318 22.391 1.749 122 HA MET 17 HA MET 17 8.445 24.376 3.880 123 HB2 MET 17 HB2 MET 17 10.176 22.203 2.903 124 HB3 MET 17 HB3 MET 17 11.033 23.647 3.424 125 HG2 MET 17 HG2 MET 17 8.994 22.932 5.323 126 HG3 MET 17 HG3 MET 17 10.073 21.574 5.015 127 HE1 MET 17 HE1 MET 17 9.380 22.937 7.490 128 HE2 MET 17 HE2 MET 17 10.926 22.621 8.277 129 HE3 MET 17 HE3 MET 17 10.359 24.280 8.080 130 H LYS 18 H LYS 18 8.368 24.478 0.620 131 HA LYS 18 HA LYS 18 10.517 26.284 0.068 132 HB2 LYS 18 HB2 LYS 18 8.018 25.666 -1.518 133 HB3 LYS 18 HB3 LYS 18 9.393 26.587 -2.114 134 HG2 LYS 18 HG2 LYS 18 9.370 23.684 -1.320 135 HG3 LYS 18 HG3 LYS 18 9.519 24.344 -2.951 136 HD2 LYS 18 HD2 LYS 18 11.495 24.727 -0.702 137 HD3 LYS 18 HD3 LYS 18 11.689 23.629 -2.070 138 HE2 LYS 18 HE2 LYS 18 11.546 26.639 -2.143 139 HE3 LYS 18 HE3 LYS 18 12.942 25.627 -2.508 140 HZ1 LYS 18 HZ1 LYS 18 11.986 26.324 -4.551 141 HZ2 LYS 18 HZ2 LYS 18 10.433 25.853 -4.074 142 HZ3 LYS 18 HZ3 LYS 18 11.618 24.683 -4.371 143 H ARG 19 H ARG 19 10.602 28.368 0.559 144 HA ARG 19 HA ARG 19 8.183 29.744 1.412 145 HB2 ARG 19 HB2 ARG 19 9.708 31.508 2.178 146 HB3 ARG 19 HB3 ARG 19 10.171 29.936 2.815 147 HG2 ARG 19 HG2 ARG 19 11.861 29.785 0.976 148 HG3 ARG 19 HG3 ARG 19 11.476 31.461 0.576 149 HD2 ARG 19 HD2 ARG 19 13.316 31.677 1.970 150 HD3 ARG 19 HD3 ARG 19 11.962 31.920 3.072 151 HE ARG 19 HE ARG 19 12.626 29.201 3.067 152 HH11 ARG 19 HH11 ARG 19 13.955 32.260 4.065 153 HH12 ARG 19 HH12 ARG 19 14.882 31.582 5.362 154 HH21 ARG 19 HH21 ARG 19 13.842 28.297 4.772 155 HH22 ARG 19 HH22 ARG 19 14.818 29.328 5.762 156 H TRP 20 H TRP 20 8.051 29.224 -1.253 157 HA TRP 20 HA TRP 20 8.776 31.744 -2.581 158 HB2 TRP 20 HB2 TRP 20 8.187 28.981 -3.612 159 HB3 TRP 20 HB3 TRP 20 8.097 30.382 -4.676 160 HD1 TRP 20 HD1 TRP 20 10.748 29.157 -2.098 161 HE1 TRP 20 HE1 TRP 20 13.061 29.328 -3.215 162 HE3 TRP 20 HE3 TRP 20 9.313 30.951 -6.665 163 HZ2 TRP 20 HZ2 TRP 20 14.134 30.119 -5.703 164 HZ3 TRP 20 HZ3 TRP 20 11.044 31.389 -8.358 165 HH2 TRP 20 HH2 TRP 20 13.405 30.981 -7.884 166 H SER 21 H SER 21 6.103 29.385 -2.790 167 HA SER 21 HA SER 21 4.071 31.191 -2.100 168 HB2 SER 21 HB2 SER 21 3.042 31.524 -4.351 169 HB3 SER 21 HB3 SER 21 4.589 32.350 -4.164 170 HG SER 21 HG SER 21 4.141 30.996 -6.151 171 H THR 22 H THR 22 1.976 30.260 -2.210 172 HA THR 22 HA THR 22 1.815 27.553 -1.718 173 HB THR 22 HB THR 22 0.005 28.987 -1.059 174 HG1 THR 22 HG1 THR 22 -1.244 27.306 -1.303 175 HG21 THR 22 HG21 THR 22 -1.457 30.108 -2.592 176 HG22 THR 22 HG22 THR 22 -0.674 29.347 -3.977 177 HG23 THR 22 HG23 THR 22 0.199 30.539 -3.015 178 H GLU 23 H GLU 23 1.365 29.261 -4.782 179 HA GLU 23 HA GLU 23 0.432 27.145 -6.333 180 HB2 GLU 23 HB2 GLU 23 0.544 29.538 -7.039 181 HB3 GLU 23 HB3 GLU 23 2.279 29.354 -7.249 182 HG2 GLU 23 HG2 GLU 23 2.046 27.983 -9.095 183 HG3 GLU 23 HG3 GLU 23 0.393 27.533 -8.677 184 H MET 24 H MET 24 3.758 28.127 -5.604 185 HA MET 24 HA MET 24 5.024 26.215 -7.247 186 HB2 MET 24 HB2 MET 24 5.905 27.834 -4.877 187 HB3 MET 24 HB3 MET 24 6.969 26.620 -5.574 188 HG2 MET 24 HG2 MET 24 5.744 28.855 -7.165 189 HG3 MET 24 HG3 MET 24 7.318 28.964 -6.380 190 HE1 MET 24 HE1 MET 24 9.382 28.563 -8.944 191 HE2 MET 24 HE2 MET 24 8.003 29.090 -9.909 192 HE3 MET 24 HE3 MET 24 8.229 29.718 -8.276 193 H VAL 25 H VAL 25 3.953 26.141 -3.887 194 HA VAL 25 HA VAL 25 5.148 23.682 -3.186 195 HB VAL 25 HB VAL 25 2.669 24.987 -2.054 196 HG11 VAL 25 HG11 VAL 25 4.398 22.784 -0.933 197 HG12 VAL 25 HG12 VAL 25 3.084 23.592 -0.076 198 HG13 VAL 25 HG13 VAL 25 2.739 22.621 -1.507 199 HG21 VAL 25 HG21 VAL 25 3.986 26.260 -0.735 200 HG22 VAL 25 HG22 VAL 25 5.216 25.007 -0.570 201 HG23 VAL 25 HG23 VAL 25 5.166 26.007 -2.021 202 H HIS 26 H HIS 26 1.837 24.457 -4.243 203 HA HIS 26 HA HIS 26 0.882 21.812 -4.237 204 HB2 HIS 26 HB2 HIS 26 -0.359 24.127 -4.478 205 HB3 HIS 26 HB3 HIS 26 -0.171 23.808 -6.200 206 HD1 HIS 26 HD1 HIS 26 -2.399 23.054 -6.973 207 HD2 HIS 26 HD2 HIS 26 -1.322 21.276 -3.376 208 HE1 HIS 26 HE1 HIS 26 -4.227 21.403 -6.466 209 H ARG 27 H ARG 27 2.316 23.782 -6.812 210 HA ARG 27 HA ARG 27 2.017 21.868 -8.868 211 HB2 ARG 27 HB2 ARG 27 2.411 24.150 -9.469 212 HB3 ARG 27 HB3 ARG 27 3.901 24.201 -8.538 213 HG2 ARG 27 HG2 ARG 27 4.894 22.567 -10.098 214 HG3 ARG 27 HG3 ARG 27 3.413 22.628 -11.057 215 HD2 ARG 27 HD2 ARG 27 3.798 24.810 -11.745 216 HD3 ARG 27 HD3 ARG 27 4.889 25.145 -10.402 217 HE ARG 27 HE ARG 27 5.900 23.137 -12.171 218 HH11 ARG 27 HH11 ARG 27 5.575 26.568 -11.676 219 HH12 ARG 27 HH12 ARG 27 6.957 26.969 -12.641 220 HH21 ARG 27 HH21 ARG 27 7.721 23.653 -13.443 221 HH22 ARG 27 HH22 ARG 27 8.176 25.311 -13.647 222 H CYS 28 H CYS 28 4.588 22.507 -6.540 223 HA CYS 28 HA CYS 28 6.538 20.805 -7.624 224 HB2 CYS 28 HB2 CYS 28 6.989 22.490 -5.869 225 HB3 CYS 28 HB3 CYS 28 6.088 21.511 -4.716 226 H GLU 29 H GLU 29 4.189 20.197 -5.012 227 HA GLU 29 HA GLU 29 4.838 17.541 -4.524 228 HB2 GLU 29 HB2 GLU 29 2.224 19.021 -4.272 229 HB3 GLU 29 HB3 GLU 29 2.421 17.355 -3.748 230 HG2 GLU 29 HG2 GLU 29 4.478 18.412 -2.448 231 HG3 GLU 29 HG3 GLU 29 3.473 19.855 -2.566 232 H LYS 30 H LYS 30 2.360 18.843 -6.721 233 HA LYS 30 HA LYS 30 1.378 16.444 -7.709 234 HB2 LYS 30 HB2 LYS 30 1.546 19.226 -8.777 235 HB3 LYS 30 HB3 LYS 30 1.067 17.939 -9.877 236 HG2 LYS 30 HG2 LYS 30 -0.649 17.327 -8.049 237 HG3 LYS 30 HG3 LYS 30 -0.331 18.952 -7.436 238 HD2 LYS 30 HD2 LYS 30 -0.919 18.618 -10.336 239 HD3 LYS 30 HD3 LYS 30 -2.253 18.491 -9.187 240 HE2 LYS 30 HE2 LYS 30 -2.302 20.738 -9.608 241 HE3 LYS 30 HE3 LYS 30 -1.198 20.708 -8.235 242 HZ1 LYS 30 HZ1 LYS 30 -0.681 21.361 -11.009 243 HZ2 LYS 30 HZ2 LYS 30 0.498 20.396 -10.273 244 HZ3 LYS 30 HZ3 LYS 30 0.097 21.898 -9.606 245 H LYS 31 H LYS 31 4.257 18.243 -8.620 246 HA LYS 31 HA LYS 31 4.865 16.726 -10.942 247 HB2 LYS 31 HB2 LYS 31 6.497 18.524 -9.161 248 HB3 LYS 31 HB3 LYS 31 7.211 17.683 -10.531 249 HG2 LYS 31 HG2 LYS 31 4.805 19.448 -10.835 250 HG3 LYS 31 HG3 LYS 31 6.451 20.083 -10.890 251 HD2 LYS 31 HD2 LYS 31 6.981 18.648 -12.764 252 HD3 LYS 31 HD3 LYS 31 5.393 17.884 -12.666 253 HE2 LYS 31 HE2 LYS 31 5.852 20.814 -13.212 254 HE3 LYS 31 HE3 LYS 31 5.583 19.597 -14.460 255 HZ1 LYS 31 HZ1 LYS 31 3.586 19.521 -12.414 256 HZ2 LYS 31 HZ2 LYS 31 3.404 19.632 -14.092 257 HZ3 LYS 31 HZ3 LYS 31 3.654 21.031 -13.174 258 H CYS 32 H CYS 32 6.207 16.647 -7.640 259 HA CYS 32 HA CYS 32 7.957 14.522 -7.969 260 HB2 CYS 32 HB2 CYS 32 6.408 15.500 -5.579 261 HB3 CYS 32 HB3 CYS 32 7.515 14.136 -5.464 262 H GLU 33 H GLU 33 4.496 14.526 -7.653 263 HA GLU 33 HA GLU 33 4.229 11.758 -6.995 264 HB2 GLU 33 HB2 GLU 33 2.288 13.820 -8.033 265 HB3 GLU 33 HB3 GLU 33 1.822 12.154 -7.721 266 HG2 GLU 33 HG2 GLU 33 2.426 12.397 -5.384 267 HG3 GLU 33 HG3 GLU 33 2.962 14.050 -5.681 268 H GLU 34 H GLU 34 3.643 13.601 -9.991 269 HA GLU 34 HA GLU 34 3.123 11.355 -11.606 270 HB2 GLU 34 HB2 GLU 34 3.591 12.904 -13.510 271 HB3 GLU 34 HB3 GLU 34 2.429 13.528 -12.348 272 HG2 GLU 34 HG2 GLU 34 4.187 14.894 -11.330 273 HG3 GLU 34 HG3 GLU 34 5.337 14.284 -12.519 274 H LYS 35 H LYS 35 6.099 13.131 -10.915 275 HA LYS 35 HA LYS 35 7.736 11.730 -12.751 276 HB2 LYS 35 HB2 LYS 35 8.052 13.802 -10.809 277 HB3 LYS 35 HB3 LYS 35 9.299 12.592 -10.537 278 HG2 LYS 35 HG2 LYS 35 9.976 12.775 -12.886 279 HG3 LYS 35 HG3 LYS 35 8.744 14.014 -13.133 280 HD2 LYS 35 HD2 LYS 35 9.968 15.146 -11.087 281 HD3 LYS 35 HD3 LYS 35 11.319 14.157 -11.644 282 HE2 LYS 35 HE2 LYS 35 11.212 15.160 -13.832 283 HE3 LYS 35 HE3 LYS 35 9.752 16.048 -13.395 284 HZ1 LYS 35 HZ1 LYS 35 10.990 17.671 -12.575 285 HZ2 LYS 35 HZ2 LYS 35 12.385 16.871 -13.100 286 HZ3 LYS 35 HZ3 LYS 35 11.797 16.608 -11.535 287 H PHE 36 H PHE 36 6.354 10.823 -9.788 288 HA PHE 36 HA PHE 36 8.371 8.968 -8.957 289 HB2 PHE 36 HB2 PHE 36 6.168 10.100 -7.755 290 HB3 PHE 36 HB3 PHE 36 5.648 8.438 -8.014 291 HD1 PHE 36 HD1 PHE 36 8.249 10.543 -6.449 292 HD2 PHE 36 HD2 PHE 36 6.472 6.682 -6.681 293 HE1 PHE 36 HE1 PHE 36 9.513 9.845 -4.457 294 HE2 PHE 36 HE2 PHE 36 7.732 5.979 -4.689 295 HZ PHE 36 HZ PHE 36 9.254 7.561 -3.573 296 H GLU 37 H GLU 37 5.232 8.679 -10.592 297 HA GLU 37 HA GLU 37 5.233 5.881 -10.836 298 HB2 GLU 37 HB2 GLU 37 3.938 7.938 -12.635 299 HB3 GLU 37 HB3 GLU 37 3.550 6.224 -12.602 300 HG2 GLU 37 HG2 GLU 37 2.807 6.445 -10.278 301 HG3 GLU 37 HG3 GLU 37 3.169 8.169 -10.337 302 H ARG 38 H ARG 38 6.959 8.326 -12.537 303 HA ARG 38 HA ARG 38 7.488 6.761 -14.888 304 HB2 ARG 38 HB2 ARG 38 7.532 9.369 -14.538 305 HB3 ARG 38 HB3 ARG 38 9.199 9.071 -14.065 306 HG2 ARG 38 HG2 ARG 38 9.426 7.828 -16.280 307 HG3 ARG 38 HG3 ARG 38 7.896 8.589 -16.720 308 HD2 ARG 38 HD2 ARG 38 8.819 10.759 -16.548 309 HD3 ARG 38 HD3 ARG 38 10.262 10.159 -15.734 310 HE ARG 38 HE ARG 38 9.830 10.316 -18.540 311 HH11 ARG 38 HH11 ARG 38 11.376 8.416 -16.066 312 HH12 ARG 38 HH12 ARG 38 12.601 7.797 -17.123 313 HH21 ARG 38 HH21 ARG 38 11.438 9.509 -19.942 314 HH22 ARG 38 HH22 ARG 38 12.636 8.420 -19.328 315 H GLN 39 H GLN 39 9.169 5.438 -15.300 316 HA GLN 39 HA GLN 39 11.386 5.333 -13.384 317 HB2 GLN 39 HB2 GLN 39 9.352 3.304 -13.780 318 HB3 GLN 39 HB3 GLN 39 10.958 2.675 -14.121 319 HG2 GLN 39 HG2 GLN 39 11.602 3.746 -11.862 320 HG3 GLN 39 HG3 GLN 39 9.865 3.768 -11.565 321 HE21 GLN 39 HE21 GLN 39 12.683 1.951 -11.424 322 HE22 GLN 39 HE22 GLN 39 11.978 0.410 -11.086 323 H GLN 40 H GLN 40 13.204 3.941 -14.233 324 HA GLN 40 HA GLN 40 13.325 3.559 -17.087 325 HB2 GLN 40 HB2 GLN 40 15.023 5.130 -17.592 326 HB3 GLN 40 HB3 GLN 40 13.794 6.020 -16.703 327 HG2 GLN 40 HG2 GLN 40 15.168 5.726 -14.648 328 HG3 GLN 40 HG3 GLN 40 16.429 5.018 -15.656 329 HE21 GLN 40 HE21 GLN 40 17.914 6.615 -15.216 330 HE22 GLN 40 HE22 GLN 40 17.764 8.226 -15.819 331 H ARG 41 H ARG 41 15.488 2.702 -17.757 332 HA ARG 41 HA ARG 41 17.101 1.584 -15.611 333 HB2 ARG 41 HB2 ARG 41 15.213 0.018 -17.255 334 HB3 ARG 41 HB3 ARG 41 16.830 -0.660 -17.118 335 HG2 ARG 41 HG2 ARG 41 16.624 -0.507 -14.648 336 HG3 ARG 41 HG3 ARG 41 14.952 0.014 -14.866 337 HD2 ARG 41 HD2 ARG 41 14.934 -2.332 -14.426 338 HD3 ARG 41 HD3 ARG 41 14.538 -2.099 -16.128 339 HE ARG 41 HE ARG 41 17.256 -2.483 -16.057 340 HH11 ARG 41 HH11 ARG 41 14.443 -4.273 -15.057 341 HH12 ARG 41 HH12 ARG 41 15.181 -5.821 -15.299 342 HH21 ARG 41 HH21 ARG 41 18.239 -4.516 -16.380 343 HH22 ARG 41 HH22 ARG 41 17.341 -5.958 -16.050 Start of MODEL 4 1 H1 SER 1 H SER 1 7.403 -8.456 -0.031 2 HA SER 1 HA SER 1 5.871 -6.633 -1.528 3 HB2 SER 1 HB2 SER 1 5.855 -7.271 1.044 4 HB3 SER 1 HB3 SER 1 6.903 -5.858 1.168 5 HG SER 1 HG SER 1 5.217 -4.645 0.909 6 H GLU 2 H GLU 2 6.171 -4.266 -1.581 7 HA GLU 2 HA GLU 2 8.877 -3.263 -1.395 8 HB2 GLU 2 HB2 GLU 2 8.433 -2.387 -3.900 9 HB3 GLU 2 HB3 GLU 2 9.330 -3.854 -3.536 10 HG2 GLU 2 HG2 GLU 2 7.614 -5.233 -4.188 11 HG3 GLU 2 HG3 GLU 2 6.379 -4.007 -3.907 12 H LYS 3 H LYS 3 8.988 -0.926 -1.883 13 HA LYS 3 HA LYS 3 6.492 0.526 -2.016 14 HB2 LYS 3 HB2 LYS 3 8.034 0.217 0.507 15 HB3 LYS 3 HB3 LYS 3 7.402 1.818 0.145 16 HG2 LYS 3 HG2 LYS 3 5.180 0.468 -0.287 17 HG3 LYS 3 HG3 LYS 3 5.958 -0.696 0.789 18 HD2 LYS 3 HD2 LYS 3 5.801 2.205 1.525 19 HD3 LYS 3 HD3 LYS 3 4.431 1.129 1.807 20 HE2 LYS 3 HE2 LYS 3 5.566 0.998 3.814 21 HE3 LYS 3 HE3 LYS 3 6.204 -0.395 2.943 22 HZ1 LYS 3 HZ1 LYS 3 8.213 0.438 3.285 23 HZ2 LYS 3 HZ2 LYS 3 7.586 1.863 3.944 24 HZ3 LYS 3 HZ3 LYS 3 7.826 1.738 2.274 25 HA PRO 4 HA PRO 4 10.158 2.595 -3.965 26 HB2 PRO 4 HB2 PRO 4 8.895 3.140 -6.305 27 HB3 PRO 4 HB3 PRO 4 9.719 1.608 -5.992 28 HG2 PRO 4 HG2 PRO 4 6.802 2.258 -5.825 29 HG3 PRO 4 HG3 PRO 4 7.591 0.826 -6.510 30 HD2 PRO 4 HD2 PRO 4 6.460 0.830 -4.050 31 HD3 PRO 4 HD3 PRO 4 7.883 -0.155 -4.445 32 H GLN 5 H GLN 5 7.002 3.418 -3.038 33 HA GLN 5 HA GLN 5 6.959 6.119 -3.959 34 HB2 GLN 5 HB2 GLN 5 5.392 4.875 -1.694 35 HB3 GLN 5 HB3 GLN 5 5.016 6.381 -2.520 36 HG2 GLN 5 HG2 GLN 5 4.570 5.185 -4.572 37 HG3 GLN 5 HG3 GLN 5 5.039 3.664 -3.814 38 HE21 GLN 5 HE21 GLN 5 2.839 3.121 -4.633 39 HE22 GLN 5 HE22 GLN 5 1.502 3.421 -3.581 40 H GLN 6 H GLN 6 8.744 4.585 -1.594 41 HA GLN 6 HA GLN 6 8.775 6.342 0.553 42 HB2 GLN 6 HB2 GLN 6 10.844 4.520 -0.629 43 HB3 GLN 6 HB3 GLN 6 11.255 5.567 0.723 44 HG2 GLN 6 HG2 GLN 6 8.955 3.633 0.769 45 HG3 GLN 6 HG3 GLN 6 10.580 3.232 1.323 46 HE21 GLN 6 HE21 GLN 6 11.431 5.241 2.744 47 HE22 GLN 6 HE22 GLN 6 10.378 5.617 4.060 48 H GLU 7 H GLU 7 10.259 6.619 -2.598 49 HA GLU 7 HA GLU 7 11.960 8.817 -1.916 50 HB2 GLU 7 HB2 GLU 7 11.307 7.268 -4.321 51 HB3 GLU 7 HB3 GLU 7 11.640 8.965 -4.638 52 HG2 GLU 7 HG2 GLU 7 13.469 7.149 -3.088 53 HG3 GLU 7 HG3 GLU 7 13.617 7.472 -4.815 54 H LEU 8 H LEU 8 8.724 8.459 -3.233 55 HA LEU 8 HA LEU 8 8.285 11.060 -4.131 56 HB2 LEU 8 HB2 LEU 8 6.793 9.097 -4.488 57 HB3 LEU 8 HB3 LEU 8 6.261 9.256 -2.815 58 HG LEU 8 HG LEU 8 5.312 11.453 -3.324 59 HD11 LEU 8 HD11 LEU 8 5.199 12.273 -5.598 60 HD12 LEU 8 HD12 LEU 8 6.126 10.887 -6.171 61 HD13 LEU 8 HD13 LEU 8 6.882 12.075 -5.110 62 HD21 LEU 8 HD21 LEU 8 4.334 8.974 -4.090 63 HD22 LEU 8 HD22 LEU 8 4.052 10.006 -5.493 64 HD23 LEU 8 HD23 LEU 8 3.408 10.465 -3.916 65 H GLU 9 H GLU 9 7.665 9.655 -0.922 66 HA GLU 9 HA GLU 9 6.551 11.841 0.335 67 HB2 GLU 9 HB2 GLU 9 8.261 9.583 1.308 68 HB3 GLU 9 HB3 GLU 9 7.820 10.876 2.414 69 HG2 GLU 9 HG2 GLU 9 5.440 10.440 1.909 70 HG3 GLU 9 HG3 GLU 9 5.936 9.076 0.910 71 H GLU 10 H GLU 10 9.924 11.197 -0.396 72 HA GLU 10 HA GLU 10 10.975 13.332 1.174 73 HB2 GLU 10 HB2 GLU 10 12.288 12.042 -1.216 74 HB3 GLU 10 HB3 GLU 10 13.073 12.862 0.126 75 HG2 GLU 10 HG2 GLU 10 11.872 10.978 1.525 76 HG3 GLU 10 HG3 GLU 10 11.921 10.133 -0.021 77 H CYS 11 H CYS 11 10.104 12.961 -2.233 78 HA CYS 11 HA CYS 11 11.055 15.447 -3.132 79 HB2 CYS 11 HB2 CYS 11 10.160 13.368 -4.450 80 HB3 CYS 11 HB3 CYS 11 8.606 14.184 -4.313 81 H GLN 12 H GLN 12 7.773 14.474 -2.142 82 HA GLN 12 HA GLN 12 6.603 17.011 -2.417 83 HB2 GLN 12 HB2 GLN 12 5.796 14.807 -0.512 84 HB3 GLN 12 HB3 GLN 12 4.780 16.135 -1.060 85 HG2 GLN 12 HG2 GLN 12 5.227 15.206 -3.421 86 HG3 GLN 12 HG3 GLN 12 5.737 13.745 -2.578 87 HE21 GLN 12 HE21 GLN 12 3.184 15.273 -3.988 88 HE22 GLN 12 HE22 GLN 12 1.887 14.414 -3.239 89 H ASN 13 H ASN 13 8.110 15.420 0.366 90 HA ASN 13 HA ASN 13 7.517 17.301 2.324 91 HB2 ASN 13 HB2 ASN 13 9.704 15.301 1.943 92 HB3 ASN 13 HB3 ASN 13 9.869 16.489 3.234 93 HD21 ASN 13 HD21 ASN 13 9.821 14.076 4.132 94 HD22 ASN 13 HD22 ASN 13 8.288 13.625 4.789 95 H VAL 14 H VAL 14 10.121 17.254 -0.057 96 HA VAL 14 HA VAL 14 11.503 19.517 0.963 97 HB VAL 14 HB VAL 14 11.527 18.357 -1.827 98 HG11 VAL 14 HG11 VAL 14 12.804 20.694 -0.665 99 HG12 VAL 14 HG12 VAL 14 13.967 19.556 -1.349 100 HG13 VAL 14 HG13 VAL 14 12.668 20.201 -2.353 101 HG21 VAL 14 HG21 VAL 14 12.963 16.794 -1.121 102 HG22 VAL 14 HG22 VAL 14 13.849 17.934 -0.109 103 HG23 VAL 14 HG23 VAL 14 12.377 17.175 0.498 104 H CYS 15 H CYS 15 9.000 19.082 -1.490 105 HA CYS 15 HA CYS 15 9.005 21.665 -2.559 106 HB2 CYS 15 HB2 CYS 15 6.674 19.765 -2.224 107 HB3 CYS 15 HB3 CYS 15 6.697 21.170 -3.284 108 H ARG 16 H ARG 16 7.178 20.319 0.169 109 HA ARG 16 HA ARG 16 5.720 22.663 0.753 110 HB2 ARG 16 HB2 ARG 16 6.523 20.441 2.640 111 HB3 ARG 16 HB3 ARG 16 5.233 21.608 2.900 112 HG2 ARG 16 HG2 ARG 16 3.806 20.558 1.486 113 HG3 ARG 16 HG3 ARG 16 5.099 19.980 0.433 114 HD2 ARG 16 HD2 ARG 16 5.737 18.461 2.410 115 HD3 ARG 16 HD3 ARG 16 4.132 18.841 3.034 116 HE ARG 16 HE ARG 16 4.772 17.140 0.797 117 HH11 ARG 16 HH11 ARG 16 2.325 19.073 2.345 118 HH12 ARG 16 HH12 ARG 16 1.005 18.226 1.608 119 HH21 ARG 16 HH21 ARG 16 3.043 16.017 -0.179 120 HH22 ARG 16 HH22 ARG 16 1.415 16.488 0.173 121 H MET 17 H MET 17 8.982 21.764 1.342 122 HA MET 17 HA MET 17 9.360 23.662 3.501 123 HB2 MET 17 HB2 MET 17 10.937 21.521 2.237 124 HB3 MET 17 HB3 MET 17 11.876 22.913 2.759 125 HG2 MET 17 HG2 MET 17 9.967 22.031 4.763 126 HG3 MET 17 HG3 MET 17 11.125 20.780 4.316 127 HE1 MET 17 HE1 MET 17 11.200 24.741 5.846 128 HE2 MET 17 HE2 MET 17 10.158 23.407 6.344 129 HE3 MET 17 HE3 MET 17 11.560 23.845 7.322 130 H LYS 18 H LYS 18 8.933 24.014 0.306 131 HA LYS 18 HA LYS 18 11.084 25.775 -0.372 132 HB2 LYS 18 HB2 LYS 18 8.399 25.305 -1.677 133 HB3 LYS 18 HB3 LYS 18 9.670 26.310 -2.360 134 HG2 LYS 18 HG2 LYS 18 9.813 23.350 -1.827 135 HG3 LYS 18 HG3 LYS 18 9.690 24.139 -3.402 136 HD2 LYS 18 HD2 LYS 18 11.866 25.309 -2.828 137 HD3 LYS 18 HD3 LYS 18 11.999 24.188 -1.471 138 HE2 LYS 18 HE2 LYS 18 13.260 23.315 -3.318 139 HE3 LYS 18 HE3 LYS 18 11.834 22.306 -3.081 140 HZ1 LYS 18 HZ1 LYS 18 11.948 24.501 -5.069 141 HZ2 LYS 18 HZ2 LYS 18 10.780 23.286 -4.938 142 HZ3 LYS 18 HZ3 LYS 18 12.349 22.900 -5.439 143 H ARG 19 H ARG 19 11.058 28.018 -0.559 144 HA ARG 19 HA ARG 19 9.136 29.342 1.202 145 HB2 ARG 19 HB2 ARG 19 11.777 29.570 1.210 146 HB3 ARG 19 HB3 ARG 19 11.445 30.783 -0.018 147 HG2 ARG 19 HG2 ARG 19 9.915 31.904 1.586 148 HG3 ARG 19 HG3 ARG 19 10.428 30.745 2.813 149 HD2 ARG 19 HD2 ARG 19 12.828 31.567 2.048 150 HD3 ARG 19 HD3 ARG 19 11.917 33.001 1.579 151 HE ARG 19 HE ARG 19 11.301 32.173 4.235 152 HH11 ARG 19 HH11 ARG 19 13.658 33.860 2.307 153 HH12 ARG 19 HH12 ARG 19 14.221 34.841 3.619 154 HH21 ARG 19 HH21 ARG 19 12.035 33.458 5.971 155 HH22 ARG 19 HH22 ARG 19 13.298 34.611 5.703 156 H TRP 20 H TRP 20 8.411 28.483 -1.501 157 HA TRP 20 HA TRP 20 8.015 31.074 -2.830 158 HB2 TRP 20 HB2 TRP 20 8.118 28.248 -3.812 159 HB3 TRP 20 HB3 TRP 20 7.193 29.439 -4.723 160 HD1 TRP 20 HD1 TRP 20 8.518 31.019 -6.294 161 HE1 TRP 20 HE1 TRP 20 11.012 31.353 -6.834 162 HE3 TRP 20 HE3 TRP 20 10.544 28.125 -2.598 163 HZ2 TRP 20 HZ2 TRP 20 13.508 30.503 -5.827 164 HZ3 TRP 20 HZ3 TRP 20 12.994 27.938 -2.457 165 HH2 TRP 20 HH2 TRP 20 14.443 29.102 -4.039 166 H SER 21 H SER 21 5.855 31.053 -4.156 167 HA SER 21 HA SER 21 3.748 31.131 -2.292 168 HB2 SER 21 HB2 SER 21 2.303 31.591 -4.234 169 HB3 SER 21 HB3 SER 21 3.786 32.543 -4.301 170 HG SER 21 HG SER 21 4.468 31.403 -5.978 171 H THR 22 H THR 22 1.696 29.946 -2.440 172 HA THR 22 HA THR 22 1.974 27.227 -2.086 173 HB THR 22 HB THR 22 -0.003 28.427 -1.317 174 HG1 THR 22 HG1 THR 22 -1.097 26.620 -1.469 175 HG21 THR 22 HG21 THR 22 -0.163 29.852 -3.415 176 HG22 THR 22 HG22 THR 22 -1.687 29.263 -2.752 177 HG23 THR 22 HG23 THR 22 -0.979 28.480 -4.164 178 H GLU 23 H GLU 23 1.484 29.015 -5.045 179 HA GLU 23 HA GLU 23 0.621 26.951 -6.721 180 HB2 GLU 23 HB2 GLU 23 2.025 29.549 -7.132 181 HB3 GLU 23 HB3 GLU 23 1.984 28.411 -8.472 182 HG2 GLU 23 HG2 GLU 23 -0.418 28.399 -8.457 183 HG3 GLU 23 HG3 GLU 23 -0.450 29.404 -7.010 184 H MET 24 H MET 24 3.912 28.044 -5.950 185 HA MET 24 HA MET 24 5.243 26.200 -7.618 186 HB2 MET 24 HB2 MET 24 6.022 27.947 -5.333 187 HB3 MET 24 HB3 MET 24 7.127 26.661 -5.799 188 HG2 MET 24 HG2 MET 24 6.053 28.539 -7.856 189 HG3 MET 24 HG3 MET 24 7.396 29.019 -6.821 190 HE1 MET 24 HE1 MET 24 7.800 27.386 -10.706 191 HE2 MET 24 HE2 MET 24 6.709 28.515 -9.902 192 HE3 MET 24 HE3 MET 24 8.425 28.899 -10.049 193 H VAL 25 H VAL 25 4.415 26.102 -4.167 194 HA VAL 25 HA VAL 25 5.635 23.659 -3.554 195 HB VAL 25 HB VAL 25 3.137 24.825 -2.318 196 HG11 VAL 25 HG11 VAL 25 5.115 22.846 -1.191 197 HG12 VAL 25 HG12 VAL 25 3.685 23.483 -0.376 198 HG13 VAL 25 HG13 VAL 25 3.507 22.447 -1.793 199 HG21 VAL 25 HG21 VAL 25 6.045 25.372 -1.938 200 HG22 VAL 25 HG22 VAL 25 4.686 26.496 -1.984 201 HG23 VAL 25 HG23 VAL 25 4.955 25.494 -0.557 202 H HIS 26 H HIS 26 2.263 24.340 -4.476 203 HA HIS 26 HA HIS 26 1.360 21.689 -4.443 204 HB2 HIS 26 HB2 HIS 26 0.123 24.034 -4.765 205 HB3 HIS 26 HB3 HIS 26 0.219 23.560 -6.458 206 HD1 HIS 26 HD1 HIS 26 -2.121 22.868 -6.959 207 HD2 HIS 26 HD2 HIS 26 -0.701 21.177 -3.440 208 HE1 HIS 26 HE1 HIS 26 -3.898 21.245 -6.228 209 H ARG 27 H ARG 27 2.416 23.664 -7.219 210 HA ARG 27 HA ARG 27 2.212 21.707 -9.178 211 HB2 ARG 27 HB2 ARG 27 3.935 24.145 -8.884 212 HB3 ARG 27 HB3 ARG 27 4.157 23.069 -10.257 213 HG2 ARG 27 HG2 ARG 27 2.069 23.552 -11.138 214 HG3 ARG 27 HG3 ARG 27 1.446 24.141 -9.595 215 HD2 ARG 27 HD2 ARG 27 2.511 26.183 -9.797 216 HD3 ARG 27 HD3 ARG 27 3.725 25.554 -10.910 217 HE ARG 27 HE ARG 27 1.368 25.348 -12.274 218 HH11 ARG 27 HH11 ARG 27 3.095 27.933 -10.708 219 HH12 ARG 27 HH12 ARG 27 2.496 29.157 -11.779 220 HH21 ARG 27 HH21 ARG 27 0.572 26.949 -13.690 221 HH22 ARG 27 HH22 ARG 27 1.061 28.596 -13.474 222 H CYS 28 H CYS 28 4.972 22.510 -7.095 223 HA CYS 28 HA CYS 28 6.864 20.791 -8.151 224 HB2 CYS 28 HB2 CYS 28 7.365 22.450 -6.412 225 HB3 CYS 28 HB3 CYS 28 6.443 21.511 -5.242 226 H GLU 29 H GLU 29 4.400 20.120 -5.686 227 HA GLU 29 HA GLU 29 5.167 17.447 -5.203 228 HB2 GLU 29 HB2 GLU 29 2.520 18.852 -4.826 229 HB3 GLU 29 HB3 GLU 29 2.848 17.219 -4.265 230 HG2 GLU 29 HG2 GLU 29 4.721 18.140 -2.904 231 HG3 GLU 29 HG3 GLU 29 4.185 19.756 -3.362 232 H LYS 30 H LYS 30 2.943 18.917 -7.504 233 HA LYS 30 HA LYS 30 1.701 16.588 -8.440 234 HB2 LYS 30 HB2 LYS 30 2.080 19.349 -9.436 235 HB3 LYS 30 HB3 LYS 30 1.701 18.138 -10.653 236 HG2 LYS 30 HG2 LYS 30 -0.075 17.705 -8.516 237 HG3 LYS 30 HG3 LYS 30 -0.036 19.446 -8.801 238 HD2 LYS 30 HD2 LYS 30 -0.583 19.125 -11.127 239 HD3 LYS 30 HD3 LYS 30 -0.466 17.373 -10.951 240 HE2 LYS 30 HE2 LYS 30 -2.292 17.737 -9.114 241 HE3 LYS 30 HE3 LYS 30 -2.578 19.247 -9.978 242 HZ1 LYS 30 HZ1 LYS 30 -2.411 17.194 -11.863 243 HZ2 LYS 30 HZ2 LYS 30 -3.761 18.126 -11.453 244 HZ3 LYS 30 HZ3 LYS 30 -3.461 16.672 -10.642 245 H LYS 31 H LYS 31 4.365 18.397 -9.982 246 HA LYS 31 HA LYS 31 4.967 16.591 -11.980 247 HB2 LYS 31 HB2 LYS 31 7.274 17.566 -11.915 248 HB3 LYS 31 HB3 LYS 31 5.984 18.759 -11.983 249 HG2 LYS 31 HG2 LYS 31 6.198 19.094 -9.554 250 HG3 LYS 31 HG3 LYS 31 7.540 17.948 -9.536 251 HD2 LYS 31 HD2 LYS 31 8.425 20.186 -9.589 252 HD3 LYS 31 HD3 LYS 31 8.741 19.412 -11.143 253 HE2 LYS 31 HE2 LYS 31 7.260 20.745 -12.264 254 HE3 LYS 31 HE3 LYS 31 6.237 20.985 -10.848 255 HZ1 LYS 31 HZ1 LYS 31 8.696 22.138 -10.275 256 HZ2 LYS 31 HZ2 LYS 31 7.227 22.928 -10.555 257 HZ3 LYS 31 HZ3 LYS 31 8.291 22.642 -11.838 258 H CYS 32 H CYS 32 6.142 16.656 -8.641 259 HA CYS 32 HA CYS 32 8.026 14.614 -8.801 260 HB2 CYS 32 HB2 CYS 32 6.279 15.597 -6.556 261 HB3 CYS 32 HB3 CYS 32 7.402 14.262 -6.320 262 H GLU 33 H GLU 33 4.535 14.447 -8.261 263 HA GLU 33 HA GLU 33 4.510 11.608 -7.890 264 HB2 GLU 33 HB2 GLU 33 2.302 13.595 -8.439 265 HB3 GLU 33 HB3 GLU 33 2.023 11.884 -8.141 266 HG2 GLU 33 HG2 GLU 33 3.221 12.198 -5.943 267 HG3 GLU 33 HG3 GLU 33 3.135 13.932 -6.248 268 H GLU 34 H GLU 34 3.663 13.785 -10.563 269 HA GLU 34 HA GLU 34 2.761 11.866 -12.372 270 HB2 GLU 34 HB2 GLU 34 4.161 14.497 -12.864 271 HB3 GLU 34 HB3 GLU 34 3.413 13.535 -14.132 272 HG2 GLU 34 HG2 GLU 34 1.335 13.703 -12.482 273 HG3 GLU 34 HG3 GLU 34 2.172 15.181 -12.012 274 H LYS 35 H LYS 35 6.026 13.251 -12.045 275 HA LYS 35 HA LYS 35 7.219 11.622 -14.014 276 HB2 LYS 35 HB2 LYS 35 8.027 13.713 -12.317 277 HB3 LYS 35 HB3 LYS 35 9.087 12.360 -11.942 278 HG2 LYS 35 HG2 LYS 35 10.243 13.432 -13.616 279 HG3 LYS 35 HG3 LYS 35 9.364 12.192 -14.515 280 HD2 LYS 35 HD2 LYS 35 7.545 14.101 -14.680 281 HD3 LYS 35 HD3 LYS 35 8.950 15.140 -14.430 282 HE2 LYS 35 HE2 LYS 35 10.049 14.192 -16.355 283 HE3 LYS 35 HE3 LYS 35 8.754 13.014 -16.560 284 HZ1 LYS 35 HZ1 LYS 35 8.417 14.766 -18.110 285 HZ2 LYS 35 HZ2 LYS 35 8.569 15.953 -16.915 286 HZ3 LYS 35 HZ3 LYS 35 7.228 14.922 -16.916 287 H PHE 36 H PHE 36 6.134 10.915 -10.882 288 HA PHE 36 HA PHE 36 8.008 8.844 -10.255 289 HB2 PHE 36 HB2 PHE 36 6.097 10.232 -8.833 290 HB3 PHE 36 HB3 PHE 36 5.378 8.633 -8.986 291 HD1 PHE 36 HD2 PHE 36 8.167 10.559 -7.608 292 HD2 PHE 36 HD1 PHE 36 6.349 6.721 -7.898 293 HE1 PHE 36 HE2 PHE 36 9.577 9.755 -5.759 294 HE2 PHE 36 HE1 PHE 36 7.756 5.911 -6.049 295 HZ PHE 36 HZ PHE 36 9.374 7.428 -4.978 296 H GLU 37 H GLU 37 5.179 9.069 -12.192 297 HA GLU 37 HA GLU 37 4.207 6.458 -12.103 298 HB2 GLU 37 HB2 GLU 37 3.461 8.684 -13.417 299 HB3 GLU 37 HB3 GLU 37 4.225 7.814 -14.740 300 HG2 GLU 37 HG2 GLU 37 2.685 5.864 -13.663 301 HG3 GLU 37 HG3 GLU 37 1.703 7.293 -13.342 302 H ARG 38 H ARG 38 7.088 7.724 -13.510 303 HA ARG 38 HA ARG 38 7.841 5.040 -14.368 304 HB2 ARG 38 HB2 ARG 38 7.474 7.377 -16.167 305 HB3 ARG 38 HB3 ARG 38 8.882 6.362 -16.451 306 HG2 ARG 38 HG2 ARG 38 7.631 4.564 -17.099 307 HG3 ARG 38 HG3 ARG 38 6.234 5.050 -16.137 308 HD2 ARG 38 HD2 ARG 38 5.813 6.890 -17.711 309 HD3 ARG 38 HD3 ARG 38 7.187 6.360 -18.681 310 HE ARG 38 HE ARG 38 5.587 4.157 -18.500 311 HH11 ARG 38 HH11 ARG 38 5.148 7.439 -19.575 312 HH12 ARG 38 HH12 ARG 38 3.938 7.032 -20.746 313 HH21 ARG 38 HH21 ARG 38 3.995 3.608 -20.039 314 HH22 ARG 38 HH22 ARG 38 3.282 4.852 -21.009 315 H GLN 39 H GLN 39 9.647 4.660 -13.276 316 HA GLN 39 HA GLN 39 11.851 6.543 -13.453 317 HB2 GLN 39 HB2 GLN 39 10.250 6.211 -11.053 318 HB3 GLN 39 HB3 GLN 39 11.937 5.802 -10.767 319 HG2 GLN 39 HG2 GLN 39 11.236 8.338 -12.175 320 HG3 GLN 39 HG3 GLN 39 11.113 8.234 -10.419 321 HE21 GLN 39 HE21 GLN 39 12.850 9.960 -11.775 322 HE22 GLN 39 HE22 GLN 39 14.474 9.487 -11.422 323 H GLN 40 H GLN 40 13.893 5.612 -12.955 324 HA GLN 40 HA GLN 40 13.904 2.710 -13.285 325 HB2 GLN 40 HB2 GLN 40 16.130 2.919 -14.068 326 HB3 GLN 40 HB3 GLN 40 15.242 4.257 -14.784 327 HG2 GLN 40 HG2 GLN 40 16.109 5.682 -12.893 328 HG3 GLN 40 HG3 GLN 40 17.179 4.340 -12.493 329 HE21 GLN 40 HE21 GLN 40 18.640 6.306 -12.935 330 HE22 GLN 40 HE22 GLN 40 19.268 6.416 -14.540 331 H ARG 41 H ARG 41 14.840 5.202 -11.025 332 HA ARG 41 HA ARG 41 16.341 3.408 -9.338 333 HB2 ARG 41 HB2 ARG 41 15.703 6.289 -9.381 334 HB3 ARG 41 HB3 ARG 41 15.892 5.587 -7.780 335 HG2 ARG 41 HG2 ARG 41 17.960 5.036 -9.850 336 HG3 ARG 41 HG3 ARG 41 17.935 6.608 -9.050 337 HD2 ARG 41 HD2 ARG 41 17.914 4.009 -7.537 338 HD3 ARG 41 HD3 ARG 41 19.405 4.826 -8.004 339 HE ARG 41 HE ARG 41 17.974 6.747 -6.713 340 HH11 ARG 41 HH11 ARG 41 19.023 3.528 -5.904 341 HH12 ARG 41 HH12 ARG 41 19.145 3.853 -4.207 342 HH21 ARG 41 HH21 ARG 41 18.131 7.188 -4.481 343 HH22 ARG 41 HH22 ARG 41 18.637 5.936 -3.398 Start of MODEL 5 1 H1 SER 1 H SER 1 5.378 -5.209 1.805 2 HA SER 1 HA SER 1 3.706 -2.971 1.827 3 HB2 SER 1 HB2 SER 1 5.960 -3.825 3.641 4 HB3 SER 1 HB3 SER 1 5.007 -2.374 3.951 5 HG SER 1 HG SER 1 3.743 -4.850 3.500 6 H GLU 2 H GLU 2 7.270 -3.081 1.759 7 HA GLU 2 HA GLU 2 7.624 -0.303 1.457 8 HB2 GLU 2 HB2 GLU 2 9.321 -2.199 2.080 9 HB3 GLU 2 HB3 GLU 2 9.588 -2.271 0.344 10 HG2 GLU 2 HG2 GLU 2 10.022 0.226 0.456 11 HG3 GLU 2 HG3 GLU 2 10.086 0.026 2.206 12 H LYS 3 H LYS 3 8.397 0.853 -0.419 13 HA LYS 3 HA LYS 3 8.046 -0.298 -3.034 14 HB2 LYS 3 HB2 LYS 3 5.987 1.473 -1.818 15 HB3 LYS 3 HB3 LYS 3 6.391 1.745 -3.508 16 HG2 LYS 3 HG2 LYS 3 5.996 -0.779 -3.792 17 HG3 LYS 3 HG3 LYS 3 5.182 -0.675 -2.229 18 HD2 LYS 3 HD2 LYS 3 3.655 0.998 -3.110 19 HD3 LYS 3 HD3 LYS 3 4.501 0.982 -4.659 20 HE2 LYS 3 HE2 LYS 3 3.794 -1.231 -5.123 21 HE3 LYS 3 HE3 LYS 3 3.234 -1.474 -3.469 22 HZ1 LYS 3 HZ1 LYS 3 1.655 0.465 -4.016 23 HZ2 LYS 3 HZ2 LYS 3 1.293 -1.073 -4.619 24 HZ3 LYS 3 HZ3 LYS 3 1.988 0.090 -5.632 25 HA PRO 4 HA PRO 4 10.908 2.817 -4.196 26 HB2 PRO 4 HB2 PRO 4 10.147 3.399 -6.736 27 HB3 PRO 4 HB3 PRO 4 10.935 1.880 -6.293 28 HG2 PRO 4 HG2 PRO 4 8.029 2.449 -6.728 29 HG3 PRO 4 HG3 PRO 4 8.989 1.058 -7.266 30 HD2 PRO 4 HD2 PRO 4 7.368 0.959 -5.099 31 HD3 PRO 4 HD3 PRO 4 8.873 0.024 -5.209 32 H GLN 5 H GLN 5 7.578 3.528 -4.018 33 HA GLN 5 HA GLN 5 7.714 6.277 -4.799 34 HB2 GLN 5 HB2 GLN 5 5.628 4.799 -3.186 35 HB3 GLN 5 HB3 GLN 5 5.444 6.424 -3.832 36 HG2 GLN 5 HG2 GLN 5 5.753 3.879 -5.407 37 HG3 GLN 5 HG3 GLN 5 4.296 4.859 -5.243 38 HE21 GLN 5 HE21 GLN 5 5.981 4.038 -7.581 39 HE22 GLN 5 HE22 GLN 5 6.330 5.515 -8.407 40 H GLN 6 H GLN 6 8.861 4.647 -2.139 41 HA GLN 6 HA GLN 6 8.242 6.246 0.041 42 HB2 GLN 6 HB2 GLN 6 10.655 4.600 -0.655 43 HB3 GLN 6 HB3 GLN 6 10.608 5.537 0.832 44 HG2 GLN 6 HG2 GLN 6 8.320 3.744 0.239 45 HG3 GLN 6 HG3 GLN 6 9.845 3.016 0.743 46 HE21 GLN 6 HE21 GLN 6 7.081 3.491 1.987 47 HE22 GLN 6 HE22 GLN 6 7.452 4.099 3.561 48 H GLU 7 H GLU 7 10.522 6.777 -2.561 49 HA GLU 7 HA GLU 7 11.880 8.964 -1.336 50 HB2 GLU 7 HB2 GLU 7 11.977 7.534 -3.857 51 HB3 GLU 7 HB3 GLU 7 12.128 9.269 -4.100 52 HG2 GLU 7 HG2 GLU 7 13.815 7.680 -2.184 53 HG3 GLU 7 HG3 GLU 7 14.288 8.075 -3.835 54 H LEU 8 H LEU 8 9.076 8.646 -3.424 55 HA LEU 8 HA LEU 8 8.739 11.258 -4.267 56 HB2 LEU 8 HB2 LEU 8 7.374 9.367 -5.023 57 HB3 LEU 8 HB3 LEU 8 6.595 9.304 -3.443 58 HG LEU 8 HG LEU 8 5.566 11.468 -3.835 59 HD11 LEU 8 HD11 LEU 8 6.869 11.401 -6.551 60 HD12 LEU 8 HD12 LEU 8 7.394 12.414 -5.207 61 HD13 LEU 8 HD13 LEU 8 5.797 12.650 -5.918 62 HD21 LEU 8 HD21 LEU 8 4.121 9.834 -4.552 63 HD22 LEU 8 HD22 LEU 8 5.207 9.275 -5.824 64 HD23 LEU 8 HD23 LEU 8 4.309 10.780 -6.028 65 H GLU 9 H GLU 9 7.561 9.751 -1.269 66 HA GLU 9 HA GLU 9 6.176 11.882 -0.194 67 HB2 GLU 9 HB2 GLU 9 7.752 9.658 1.068 68 HB3 GLU 9 HB3 GLU 9 6.981 10.885 2.062 69 HG2 GLU 9 HG2 GLU 9 5.335 9.526 0.003 70 HG3 GLU 9 HG3 GLU 9 5.778 8.621 1.449 71 H GLU 10 H GLU 10 9.645 11.269 -0.193 72 HA GLU 10 HA GLU 10 10.326 13.388 1.573 73 HB2 GLU 10 HB2 GLU 10 12.041 12.060 -0.533 74 HB3 GLU 10 HB3 GLU 10 12.619 13.028 0.816 75 HG2 GLU 10 HG2 GLU 10 10.977 10.581 1.306 76 HG3 GLU 10 HG3 GLU 10 12.703 10.454 0.970 77 H CYS 11 H CYS 11 10.068 13.114 -1.935 78 HA CYS 11 HA CYS 11 11.165 15.622 -2.587 79 HB2 CYS 11 HB2 CYS 11 10.534 13.582 -4.099 80 HB3 CYS 11 HB3 CYS 11 8.972 14.386 -4.216 81 H GLN 12 H GLN 12 7.756 14.627 -2.274 82 HA GLN 12 HA GLN 12 6.688 17.212 -2.629 83 HB2 GLN 12 HB2 GLN 12 5.462 14.888 -1.135 84 HB3 GLN 12 HB3 GLN 12 4.604 16.279 -1.785 85 HG2 GLN 12 HG2 GLN 12 5.572 15.519 -4.055 86 HG3 GLN 12 HG3 GLN 12 5.845 13.982 -3.235 87 HE21 GLN 12 HE21 GLN 12 3.661 15.838 -4.948 88 HE22 GLN 12 HE22 GLN 12 2.230 14.924 -4.630 89 H ASN 13 H ASN 13 7.604 15.392 0.259 90 HA ASN 13 HA ASN 13 6.577 17.079 2.211 91 HB2 ASN 13 HB2 ASN 13 8.868 15.160 2.111 92 HB3 ASN 13 HB3 ASN 13 8.714 16.219 3.510 93 HD21 ASN 13 HD21 ASN 13 8.342 14.420 4.834 94 HD22 ASN 13 HD22 ASN 13 6.816 13.609 4.846 95 H VAL 14 H VAL 14 9.738 17.191 0.597 96 HA VAL 14 HA VAL 14 10.737 19.418 2.010 97 HB VAL 14 HB VAL 14 11.451 18.460 -0.765 98 HG11 VAL 14 HG11 VAL 14 12.351 20.581 -0.710 99 HG12 VAL 14 HG12 VAL 14 12.624 20.536 1.033 100 HG13 VAL 14 HG13 VAL 14 13.673 19.620 -0.049 101 HG21 VAL 14 HG21 VAL 14 11.757 17.110 1.588 102 HG22 VAL 14 HG22 VAL 14 12.758 16.886 0.154 103 HG23 VAL 14 HG23 VAL 14 13.298 17.956 1.448 104 H CYS 15 H CYS 15 8.971 19.141 -1.046 105 HA CYS 15 HA CYS 15 9.131 21.770 -1.913 106 HB2 CYS 15 HB2 CYS 15 6.885 19.769 -2.205 107 HB3 CYS 15 HB3 CYS 15 6.945 21.303 -3.067 108 H ARG 16 H ARG 16 6.795 20.289 0.305 109 HA ARG 16 HA ARG 16 5.201 22.587 0.669 110 HB2 ARG 16 HB2 ARG 16 5.644 20.294 2.588 111 HB3 ARG 16 HB3 ARG 16 4.306 21.435 2.627 112 HG2 ARG 16 HG2 ARG 16 3.221 20.439 0.902 113 HG3 ARG 16 HG3 ARG 16 4.713 19.911 0.122 114 HD2 ARG 16 HD2 ARG 16 4.953 18.310 2.111 115 HD3 ARG 16 HD3 ARG 16 3.257 18.668 2.433 116 HE ARG 16 HE ARG 16 3.800 17.840 -0.272 117 HH11 ARG 16 HH11 ARG 16 3.023 16.804 2.959 118 HH12 ARG 16 HH12 ARG 16 2.331 15.299 2.451 119 HH21 ARG 16 HH21 ARG 16 2.892 15.862 -0.955 120 HH22 ARG 16 HH22 ARG 16 2.258 14.764 0.224 121 H MET 17 H MET 17 8.305 21.747 1.833 122 HA MET 17 HA MET 17 8.184 23.557 4.106 123 HB2 MET 17 HB2 MET 17 10.016 21.460 3.151 124 HB3 MET 17 HB3 MET 17 10.808 22.841 3.898 125 HG2 MET 17 HG2 MET 17 8.568 22.017 5.485 126 HG3 MET 17 HG3 MET 17 9.626 20.645 5.163 127 HE1 MET 17 HE1 MET 17 10.641 21.402 8.676 128 HE2 MET 17 HE2 MET 17 9.309 22.521 8.388 129 HE3 MET 17 HE3 MET 17 9.253 20.892 7.714 130 H LYS 18 H LYS 18 8.398 24.032 0.923 131 HA LYS 18 HA LYS 18 10.645 25.797 0.740 132 HB2 LYS 18 HB2 LYS 18 8.266 25.382 -1.076 133 HB3 LYS 18 HB3 LYS 18 9.632 26.420 -1.462 134 HG2 LYS 18 HG2 LYS 18 9.722 23.444 -1.013 135 HG3 LYS 18 HG3 LYS 18 9.861 24.282 -2.561 136 HD2 LYS 18 HD2 LYS 18 11.878 25.465 -1.576 137 HD3 LYS 18 HD3 LYS 18 11.796 24.298 -0.255 138 HE2 LYS 18 HE2 LYS 18 11.939 22.476 -1.947 139 HE3 LYS 18 HE3 LYS 18 12.189 23.705 -3.185 140 HZ1 LYS 18 HZ1 LYS 18 14.268 22.708 -2.353 141 HZ2 LYS 18 HZ2 LYS 18 13.942 23.338 -0.818 142 HZ3 LYS 18 HZ3 LYS 18 14.207 24.383 -2.122 143 H ARG 19 H ARG 19 10.608 28.067 0.502 144 HA ARG 19 HA ARG 19 8.445 29.338 2.003 145 HB2 ARG 19 HB2 ARG 19 11.121 30.456 1.147 146 HB3 ARG 19 HB3 ARG 19 9.966 31.243 2.214 147 HG2 ARG 19 HG2 ARG 19 11.201 28.580 2.849 148 HG3 ARG 19 HG3 ARG 19 11.936 30.115 3.316 149 HD2 ARG 19 HD2 ARG 19 9.091 29.467 4.010 150 HD3 ARG 19 HD3 ARG 19 10.428 28.914 5.017 151 HE ARG 19 HE ARG 19 10.569 31.713 4.481 152 HH11 ARG 19 HH11 ARG 19 9.027 29.310 6.473 153 HH12 ARG 19 HH12 ARG 19 8.719 30.404 7.781 154 HH21 ARG 19 HH21 ARG 19 10.168 33.163 6.196 155 HH22 ARG 19 HH22 ARG 19 9.367 32.595 7.622 156 H TRP 20 H TRP 20 8.032 28.501 -0.742 157 HA TRP 20 HA TRP 20 7.825 31.084 -2.128 158 HB2 TRP 20 HB2 TRP 20 8.045 28.255 -3.051 159 HB3 TRP 20 HB3 TRP 20 7.160 29.391 -4.064 160 HD1 TRP 20 HD1 TRP 20 8.562 30.921 -5.605 161 HE1 TRP 20 HE1 TRP 20 11.078 31.349 -5.935 162 HE3 TRP 20 HE3 TRP 20 10.362 28.322 -1.587 163 HZ2 TRP 20 HZ2 TRP 20 13.505 30.675 -4.661 164 HZ3 TRP 20 HZ3 TRP 20 12.793 28.263 -1.214 165 HH2 TRP 20 HH2 TRP 20 14.330 29.415 -2.721 166 H SER 21 H SER 21 5.834 31.298 -3.540 167 HA SER 21 HA SER 21 3.542 31.341 -1.958 168 HB2 SER 21 HB2 SER 21 2.320 31.816 -4.069 169 HB3 SER 21 HB3 SER 21 3.783 32.787 -3.903 170 HG SER 21 HG SER 21 4.692 31.729 -5.518 171 H THR 22 H THR 22 1.512 30.196 -2.252 172 HA THR 22 HA THR 22 1.707 27.459 -1.970 173 HB THR 22 HB THR 22 -0.286 28.574 -1.240 174 HG1 THR 22 HG1 THR 22 -1.867 27.211 -2.284 175 HG21 THR 22 HG21 THR 22 -0.264 30.312 -3.046 176 HG22 THR 22 HG22 THR 22 -1.857 29.639 -2.703 177 HG23 THR 22 HG23 THR 22 -0.965 29.112 -4.130 178 H GLU 23 H GLU 23 1.060 29.332 -4.901 179 HA GLU 23 HA GLU 23 0.415 27.279 -6.645 180 HB2 GLU 23 HB2 GLU 23 1.915 29.852 -7.132 181 HB3 GLU 23 HB3 GLU 23 1.401 28.780 -8.426 182 HG2 GLU 23 HG2 GLU 23 -0.540 29.883 -6.428 183 HG3 GLU 23 HG3 GLU 23 -0.081 30.775 -7.877 184 H MET 24 H MET 24 3.620 28.522 -5.765 185 HA MET 24 HA MET 24 5.089 26.841 -7.490 186 HB2 MET 24 HB2 MET 24 5.706 28.545 -5.134 187 HB3 MET 24 HB3 MET 24 6.889 27.318 -5.568 188 HG2 MET 24 HG2 MET 24 5.847 29.094 -7.708 189 HG3 MET 24 HG3 MET 24 6.998 29.755 -6.547 190 HE1 MET 24 HE1 MET 24 7.639 29.632 -9.719 191 HE2 MET 24 HE2 MET 24 8.245 28.081 -10.301 192 HE3 MET 24 HE3 MET 24 6.555 28.245 -9.823 193 H VAL 25 H VAL 25 4.099 26.501 -4.107 194 HA VAL 25 HA VAL 25 5.480 24.135 -3.529 195 HB VAL 25 HB VAL 25 2.812 24.994 -2.403 196 HG11 VAL 25 HG11 VAL 25 4.949 23.216 -1.232 197 HG12 VAL 25 HG12 VAL 25 3.415 23.654 -0.475 198 HG13 VAL 25 HG13 VAL 25 3.429 22.658 -1.931 199 HG21 VAL 25 HG21 VAL 25 3.977 26.787 -1.714 200 HG22 VAL 25 HG22 VAL 25 4.674 25.672 -0.539 201 HG23 VAL 25 HG23 VAL 25 5.534 26.026 -2.038 202 H HIS 26 H HIS 26 2.162 24.618 -4.714 203 HA HIS 26 HA HIS 26 1.448 21.906 -4.834 204 HB2 HIS 26 HB2 HIS 26 0.099 24.208 -5.209 205 HB3 HIS 26 HB3 HIS 26 0.316 23.722 -6.888 206 HD1 HIS 26 HD1 HIS 26 -1.971 22.916 -7.482 207 HD2 HIS 26 HD2 HIS 26 -0.602 21.291 -3.912 208 HE1 HIS 26 HE1 HIS 26 -3.680 21.191 -6.830 209 H ARG 27 H ARG 27 2.863 24.051 -7.279 210 HA ARG 27 HA ARG 27 2.858 22.212 -9.402 211 HB2 ARG 27 HB2 ARG 27 3.208 24.524 -9.885 212 HB3 ARG 27 HB3 ARG 27 4.602 24.602 -8.815 213 HG2 ARG 27 HG2 ARG 27 5.822 23.095 -10.329 214 HG3 ARG 27 HG3 ARG 27 4.431 23.096 -11.416 215 HD2 ARG 27 HD2 ARG 27 5.558 25.717 -10.587 216 HD3 ARG 27 HD3 ARG 27 6.476 24.752 -11.742 217 HE ARG 27 HE ARG 27 4.120 26.230 -12.272 218 HH11 ARG 27 HH11 ARG 27 5.741 23.258 -13.082 219 HH12 ARG 27 HH12 ARG 27 5.009 23.133 -14.647 220 HH21 ARG 27 HH21 ARG 27 3.149 26.077 -14.330 221 HH22 ARG 27 HH22 ARG 27 3.535 24.737 -15.357 222 H CYS 28 H CYS 28 5.251 22.890 -6.889 223 HA CYS 28 HA CYS 28 7.313 21.261 -7.876 224 HB2 CYS 28 HB2 CYS 28 7.577 22.951 -6.069 225 HB3 CYS 28 HB3 CYS 28 6.689 21.887 -4.983 226 H GLU 29 H GLU 29 4.853 20.551 -5.394 227 HA GLU 29 HA GLU 29 5.536 17.934 -4.849 228 HB2 GLU 29 HB2 GLU 29 2.804 19.220 -4.931 229 HB3 GLU 29 HB3 GLU 29 3.111 17.622 -4.266 230 HG2 GLU 29 HG2 GLU 29 4.728 18.686 -2.683 231 HG3 GLU 29 HG3 GLU 29 4.165 20.252 -3.265 232 H LYS 30 H LYS 30 3.137 19.045 -7.242 233 HA LYS 30 HA LYS 30 2.512 16.554 -8.316 234 HB2 LYS 30 HB2 LYS 30 2.454 19.335 -9.463 235 HB3 LYS 30 HB3 LYS 30 1.971 17.943 -10.424 236 HG2 LYS 30 HG2 LYS 30 0.147 17.471 -9.022 237 HG3 LYS 30 HG3 LYS 30 0.751 18.532 -7.746 238 HD2 LYS 30 HD2 LYS 30 -0.943 19.794 -8.712 239 HD3 LYS 30 HD3 LYS 30 0.506 20.405 -9.514 240 HE2 LYS 30 HE2 LYS 30 0.046 18.820 -11.385 241 HE3 LYS 30 HE3 LYS 30 -1.478 18.411 -10.600 242 HZ1 LYS 30 HZ1 LYS 30 -1.487 21.137 -10.712 243 HZ2 LYS 30 HZ2 LYS 30 -2.334 20.096 -11.742 244 HZ3 LYS 30 HZ3 LYS 30 -0.815 20.685 -12.198 245 H LYS 31 H LYS 31 4.953 18.908 -9.389 246 HA LYS 31 HA LYS 31 5.928 17.589 -11.606 247 HB2 LYS 31 HB2 LYS 31 7.095 19.490 -9.635 248 HB3 LYS 31 HB3 LYS 31 8.206 18.660 -10.717 249 HG2 LYS 31 HG2 LYS 31 6.748 19.470 -12.619 250 HG3 LYS 31 HG3 LYS 31 5.953 20.511 -11.435 251 HD2 LYS 31 HD2 LYS 31 7.588 21.899 -12.325 252 HD3 LYS 31 HD3 LYS 31 8.356 21.284 -10.860 253 HE2 LYS 31 HE2 LYS 31 9.683 19.760 -12.080 254 HE3 LYS 31 HE3 LYS 31 8.723 19.977 -13.543 255 HZ1 LYS 31 HZ1 LYS 31 10.268 21.443 -14.133 256 HZ2 LYS 31 HZ2 LYS 31 10.946 21.503 -12.585 257 HZ3 LYS 31 HZ3 LYS 31 9.620 22.482 -12.965 258 H CYS 32 H CYS 32 6.737 17.079 -8.205 259 HA CYS 32 HA CYS 32 8.830 15.232 -8.630 260 HB2 CYS 32 HB2 CYS 32 7.022 15.798 -6.290 261 HB3 CYS 32 HB3 CYS 32 8.232 14.521 -6.230 262 H GLU 33 H GLU 33 5.362 14.791 -8.015 263 HA GLU 33 HA GLU 33 5.432 11.961 -8.025 264 HB2 GLU 33 HB2 GLU 33 3.231 12.105 -7.564 265 HB3 GLU 33 HB3 GLU 33 3.556 13.822 -7.375 266 HG2 GLU 33 HG2 GLU 33 3.001 14.059 -9.832 267 HG3 GLU 33 HG3 GLU 33 2.391 12.407 -9.751 268 H GLU 34 H GLU 34 5.211 14.363 -10.538 269 HA GLU 34 HA GLU 34 4.322 12.568 -12.584 270 HB2 GLU 34 HB2 GLU 34 5.616 15.294 -12.772 271 HB3 GLU 34 HB3 GLU 34 4.911 14.422 -14.126 272 HG2 GLU 34 HG2 GLU 34 3.183 14.854 -11.767 273 HG3 GLU 34 HG3 GLU 34 3.588 16.268 -12.739 274 H LYS 35 H LYS 35 7.451 14.074 -11.804 275 HA LYS 35 HA LYS 35 8.911 12.759 -13.832 276 HB2 LYS 35 HB2 LYS 35 9.436 14.658 -11.811 277 HB3 LYS 35 HB3 LYS 35 10.562 13.333 -11.548 278 HG2 LYS 35 HG2 LYS 35 11.224 13.514 -13.944 279 HG3 LYS 35 HG3 LYS 35 10.217 14.960 -14.056 280 HD2 LYS 35 HD2 LYS 35 12.383 15.770 -13.653 281 HD3 LYS 35 HD3 LYS 35 11.578 15.848 -12.084 282 HE2 LYS 35 HE2 LYS 35 13.578 14.884 -11.498 283 HE3 LYS 35 HE3 LYS 35 12.593 13.451 -11.789 284 HZ1 LYS 35 HZ1 LYS 35 14.141 14.585 -14.010 285 HZ2 LYS 35 HZ2 LYS 35 13.684 12.982 -13.728 286 HZ3 LYS 35 HZ3 LYS 35 14.949 13.669 -12.840 287 H PHE 36 H PHE 36 7.601 11.628 -10.919 288 HA PHE 36 HA PHE 36 9.539 9.601 -10.353 289 HB2 PHE 36 HB2 PHE 36 7.430 10.706 -8.970 290 HB3 PHE 36 HB3 PHE 36 6.818 9.107 -9.382 291 HD1 PHE 36 HD1 PHE 36 7.937 7.097 -8.552 292 HD2 PHE 36 HD2 PHE 36 9.212 10.992 -7.406 293 HE1 PHE 36 HE1 PHE 36 9.211 6.126 -6.685 294 HE2 PHE 36 HE2 PHE 36 10.489 10.028 -5.537 295 HZ PHE 36 HZ PHE 36 10.491 7.592 -5.175 296 H GLU 37 H GLU 37 6.690 9.841 -12.342 297 HA GLU 37 HA GLU 37 6.146 7.107 -12.690 298 HB2 GLU 37 HB2 GLU 37 5.663 9.477 -14.496 299 HB3 GLU 37 HB3 GLU 37 5.068 7.860 -14.845 300 HG2 GLU 37 HG2 GLU 37 4.397 9.408 -12.355 301 HG3 GLU 37 HG3 GLU 37 3.394 9.365 -13.804 302 H ARG 38 H ARG 38 8.656 9.115 -13.924 303 HA ARG 38 HA ARG 38 9.313 7.351 -16.125 304 HB2 ARG 38 HB2 ARG 38 9.657 9.960 -15.904 305 HB3 ARG 38 HB3 ARG 38 11.170 9.477 -15.148 306 HG2 ARG 38 HG2 ARG 38 11.653 8.115 -17.193 307 HG3 ARG 38 HG3 ARG 38 10.238 8.863 -17.938 308 HD2 ARG 38 HD2 ARG 38 11.233 11.069 -17.632 309 HD3 ARG 38 HD3 ARG 38 12.635 10.337 -16.852 310 HE ARG 38 HE ARG 38 12.543 9.112 -19.268 311 HH11 ARG 38 HH11 ARG 38 12.555 12.442 -18.252 312 HH12 ARG 38 HH12 ARG 38 13.365 13.009 -19.674 313 HH21 ARG 38 HH21 ARG 38 13.611 9.847 -21.145 314 HH22 ARG 38 HH22 ARG 38 13.965 11.533 -21.320 315 H GLN 39 H GLN 39 10.947 5.881 -16.196 316 HA GLN 39 HA GLN 39 12.452 4.355 -15.436 317 HB2 GLN 39 HB2 GLN 39 13.505 6.834 -14.881 318 HB3 GLN 39 HB3 GLN 39 13.589 6.032 -13.318 319 HG2 GLN 39 HG2 GLN 39 14.693 4.889 -15.872 320 HG3 GLN 39 HG3 GLN 39 15.636 5.801 -14.695 321 HE21 GLN 39 HE21 GLN 39 16.686 4.648 -13.253 322 HE22 GLN 39 HE22 GLN 39 16.295 3.042 -12.748 323 H GLN 40 H GLN 40 9.869 4.360 -14.234 324 HA GLN 40 HA GLN 40 10.120 4.009 -11.405 325 HB2 GLN 40 HB2 GLN 40 7.832 3.524 -11.400 326 HB3 GLN 40 HB3 GLN 40 8.016 4.647 -12.741 327 HG2 GLN 40 HG2 GLN 40 7.800 1.653 -12.953 328 HG3 GLN 40 HG3 GLN 40 6.533 2.820 -13.325 329 HE21 GLN 40 HE21 GLN 40 6.607 3.956 -15.226 330 HE22 GLN 40 HE22 GLN 40 7.719 3.596 -16.498 331 H ARG 41 H ARG 41 9.341 1.897 -10.393 332 HA ARG 41 HA ARG 41 11.019 -0.233 -11.444 333 HB2 ARG 41 HB2 ARG 41 10.396 0.649 -8.879 334 HB3 ARG 41 HB3 ARG 41 9.526 -0.872 -9.031 335 HG2 ARG 41 HG2 ARG 41 12.449 -0.580 -9.667 336 HG3 ARG 41 HG3 ARG 41 11.839 -1.028 -8.072 337 HD2 ARG 41 HD2 ARG 41 11.139 -2.526 -10.588 338 HD3 ARG 41 HD3 ARG 41 12.521 -2.940 -9.574 339 HE ARG 41 HE ARG 41 9.742 -3.441 -9.013 340 HH11 ARG 41 HH11 ARG 41 12.929 -3.064 -7.664 341 HH12 ARG 41 HH12 ARG 41 12.572 -3.972 -6.232 342 HH21 ARG 41 HH21 ARG 41 9.260 -4.639 -7.133 343 HH22 ARG 41 HH22 ARG 41 10.485 -4.869 -5.932 Start of MODEL 6 1 H1 SER 1 H SER 1 10.410 5.634 3.683 2 HA SER 1 HA SER 1 11.866 3.829 5.318 3 HB2 SER 1 HB2 SER 1 9.095 4.922 5.280 4 HB3 SER 1 HB3 SER 1 9.377 3.452 6.214 5 HG SER 1 HG SER 1 10.807 4.527 7.485 6 H GLU 2 H GLU 2 8.882 3.291 3.432 7 HA GLU 2 HA GLU 2 9.850 0.614 2.753 8 HB2 GLU 2 HB2 GLU 2 7.264 0.012 3.186 9 HB3 GLU 2 HB3 GLU 2 8.520 -0.202 4.397 10 HG2 GLU 2 HG2 GLU 2 7.866 1.657 5.601 11 HG3 GLU 2 HG3 GLU 2 7.031 2.379 4.226 12 H LYS 3 H LYS 3 8.601 -0.392 1.003 13 HA LYS 3 HA LYS 3 7.708 -0.365 -1.089 14 HB2 LYS 3 HB2 LYS 3 6.131 1.778 0.287 15 HB3 LYS 3 HB3 LYS 3 5.927 1.525 -1.442 16 HG2 LYS 3 HG2 LYS 3 5.618 -0.662 0.599 17 HG3 LYS 3 HG3 LYS 3 4.281 0.336 0.022 18 HD2 LYS 3 HD2 LYS 3 6.048 -1.097 -1.925 19 HD3 LYS 3 HD3 LYS 3 4.743 -1.958 -1.106 20 HE2 LYS 3 HE2 LYS 3 3.113 -0.420 -1.986 21 HE3 LYS 3 HE3 LYS 3 4.382 0.587 -2.681 22 HZ1 LYS 3 HZ1 LYS 3 3.098 -1.641 -3.814 23 HZ2 LYS 3 HZ2 LYS 3 4.742 -2.000 -3.646 24 HZ3 LYS 3 HZ3 LYS 3 4.260 -0.627 -4.510 25 HA PRO 4 HA PRO 4 10.056 2.373 -3.587 26 HB2 PRO 4 HB2 PRO 4 8.569 2.507 -5.854 27 HB3 PRO 4 HB3 PRO 4 9.482 1.067 -5.388 28 HG2 PRO 4 HG2 PRO 4 6.566 1.653 -5.049 29 HG3 PRO 4 HG3 PRO 4 7.352 0.153 -5.576 30 HD2 PRO 4 HD2 PRO 4 6.444 0.512 -3.050 31 HD3 PRO 4 HD3 PRO 4 7.867 -0.482 -3.421 32 H GLN 5 H GLN 5 6.962 3.242 -2.505 33 HA GLN 5 HA GLN 5 6.934 5.852 -3.765 34 HB2 GLN 5 HB2 GLN 5 5.109 4.597 -1.710 35 HB3 GLN 5 HB3 GLN 5 4.864 6.188 -2.418 36 HG2 GLN 5 HG2 GLN 5 4.524 5.254 -4.584 37 HG3 GLN 5 HG3 GLN 5 5.003 3.652 -4.025 38 HE21 GLN 5 HE21 GLN 5 2.605 4.131 -5.328 39 HE22 GLN 5 HE22 GLN 5 1.303 3.865 -4.224 40 H GLN 6 H GLN 6 8.763 4.649 -1.423 41 HA GLN 6 HA GLN 6 8.460 6.392 0.760 42 HB2 GLN 6 HB2 GLN 6 10.634 5.661 1.461 43 HB3 GLN 6 HB3 GLN 6 9.800 4.282 0.757 44 HG2 GLN 6 HG2 GLN 6 11.032 4.713 -1.366 45 HG3 GLN 6 HG3 GLN 6 11.960 5.945 -0.511 46 HE21 GLN 6 HE21 GLN 6 13.856 5.275 0.158 47 HE22 GLN 6 HE22 GLN 6 14.264 3.667 0.639 48 H GLU 7 H GLU 7 10.148 6.719 -2.293 49 HA GLU 7 HA GLU 7 11.576 9.088 -1.560 50 HB2 GLU 7 HB2 GLU 7 11.159 7.513 -4.043 51 HB3 GLU 7 HB3 GLU 7 11.608 9.201 -4.238 52 HG2 GLU 7 HG2 GLU 7 13.590 8.833 -2.856 53 HG3 GLU 7 HG3 GLU 7 13.142 7.138 -2.672 54 H LEU 8 H LEU 8 8.404 8.397 -2.731 55 HA LEU 8 HA LEU 8 7.845 10.963 -3.839 56 HB2 LEU 8 HB2 LEU 8 6.615 8.864 -4.380 57 HB3 LEU 8 HB3 LEU 8 5.896 8.927 -2.772 58 HG LEU 8 HG LEU 8 4.712 10.949 -3.327 59 HD11 LEU 8 HD11 LEU 8 6.393 11.999 -4.737 60 HD12 LEU 8 HD12 LEU 8 4.835 11.940 -5.559 61 HD13 LEU 8 HD13 LEU 8 6.105 10.798 -5.997 62 HD21 LEU 8 HD21 LEU 8 4.433 8.959 -5.575 63 HD22 LEU 8 HD22 LEU 8 3.212 10.105 -5.023 64 HD23 LEU 8 HD23 LEU 8 3.720 8.782 -3.972 65 H GLU 9 H GLU 9 7.067 9.418 -0.732 66 HA GLU 9 HA GLU 9 5.598 11.442 0.434 67 HB2 GLU 9 HB2 GLU 9 7.384 9.305 1.508 68 HB3 GLU 9 HB3 GLU 9 6.811 10.549 2.610 69 HG2 GLU 9 HG2 GLU 9 4.475 9.983 1.743 70 HG3 GLU 9 HG3 GLU 9 5.218 8.531 1.075 71 H GLU 10 H GLU 10 9.126 10.977 0.607 72 HA GLU 10 HA GLU 10 9.675 13.295 2.090 73 HB2 GLU 10 HB2 GLU 10 11.998 13.037 1.227 74 HB3 GLU 10 HB3 GLU 10 11.331 11.560 1.909 75 HG2 GLU 10 HG2 GLU 10 10.771 10.835 -0.413 76 HG3 GLU 10 HG3 GLU 10 11.658 12.240 -1.000 77 H CYS 11 H CYS 11 9.641 12.725 -1.411 78 HA CYS 11 HA CYS 11 10.559 15.181 -2.292 79 HB2 CYS 11 HB2 CYS 11 9.858 13.025 -3.601 80 HB3 CYS 11 HB3 CYS 11 8.294 13.826 -3.714 81 H GLN 12 H GLN 12 7.203 14.224 -1.601 82 HA GLN 12 HA GLN 12 6.042 16.714 -2.205 83 HB2 GLN 12 HB2 GLN 12 5.037 14.645 -0.246 84 HB3 GLN 12 HB3 GLN 12 4.082 15.901 -1.022 85 HG2 GLN 12 HG2 GLN 12 5.541 13.877 -2.665 86 HG3 GLN 12 HG3 GLN 12 3.986 13.489 -1.930 87 HE21 GLN 12 HE21 GLN 12 2.134 14.508 -2.661 88 HE22 GLN 12 HE22 GLN 12 2.088 15.400 -4.140 89 H ASN 13 H ASN 13 6.889 15.291 0.952 90 HA ASN 13 HA ASN 13 6.172 17.366 2.601 91 HB2 ASN 13 HB2 ASN 13 7.207 15.040 3.149 92 HB3 ASN 13 HB3 ASN 13 8.745 15.894 3.080 93 HD21 ASN 13 HD21 ASN 13 7.920 14.674 5.379 94 HD22 ASN 13 HD22 ASN 13 7.539 15.868 6.569 95 H VAL 14 H VAL 14 9.142 17.006 0.723 96 HA VAL 14 HA VAL 14 10.479 19.268 1.761 97 HB VAL 14 HB VAL 14 10.788 17.914 -0.922 98 HG11 VAL 14 HG11 VAL 14 12.477 19.987 0.462 99 HG12 VAL 14 HG12 VAL 14 13.059 18.990 -0.873 100 HG13 VAL 14 HG13 VAL 14 11.709 20.097 -1.121 101 HG21 VAL 14 HG21 VAL 14 12.238 16.458 0.035 102 HG22 VAL 14 HG22 VAL 14 12.792 17.626 1.235 103 HG23 VAL 14 HG23 VAL 14 11.256 16.790 1.461 104 H CYS 15 H CYS 15 8.370 18.821 -1.050 105 HA CYS 15 HA CYS 15 8.644 21.369 -2.166 106 HB2 CYS 15 HB2 CYS 15 6.279 19.485 -2.195 107 HB3 CYS 15 HB3 CYS 15 6.419 20.918 -3.209 108 H ARG 16 H ARG 16 6.530 20.182 0.393 109 HA ARG 16 HA ARG 16 5.039 22.614 0.619 110 HB2 ARG 16 HB2 ARG 16 5.325 20.354 2.607 111 HB3 ARG 16 HB3 ARG 16 4.096 21.611 2.636 112 HG2 ARG 16 HG2 ARG 16 2.864 20.639 1.013 113 HG3 ARG 16 HG3 ARG 16 4.278 20.019 0.159 114 HD2 ARG 16 HD2 ARG 16 4.522 18.423 2.162 115 HD3 ARG 16 HD3 ARG 16 2.860 18.871 2.539 116 HE ARG 16 HE ARG 16 3.743 17.137 0.442 117 HH11 ARG 16 HH11 ARG 16 1.248 19.364 1.408 118 HH12 ARG 16 HH12 ARG 16 0.039 18.654 0.391 119 HH21 ARG 16 HH21 ARG 16 2.160 16.193 -0.902 120 HH22 ARG 16 HH22 ARG 16 0.558 16.849 -0.922 121 H MET 17 H MET 17 8.084 21.536 1.748 122 HA MET 17 HA MET 17 8.169 23.542 3.877 123 HB2 MET 17 HB2 MET 17 9.818 21.153 3.173 124 HB3 MET 17 HB3 MET 17 10.566 22.450 4.095 125 HG2 MET 17 HG2 MET 17 8.286 22.120 5.491 126 HG3 MET 17 HG3 MET 17 8.539 20.481 4.895 127 HE1 MET 17 HE1 MET 17 9.260 20.267 8.392 128 HE2 MET 17 HE2 MET 17 8.487 19.633 6.939 129 HE3 MET 17 HE3 MET 17 10.057 19.009 7.447 130 H LYS 18 H LYS 18 8.299 23.930 0.823 131 HA LYS 18 HA LYS 18 10.916 25.008 0.349 132 HB2 LYS 18 HB2 LYS 18 8.334 25.237 -1.204 133 HB3 LYS 18 HB3 LYS 18 9.876 25.877 -1.756 134 HG2 LYS 18 HG2 LYS 18 9.299 22.978 -1.181 135 HG3 LYS 18 HG3 LYS 18 9.342 23.720 -2.782 136 HD2 LYS 18 HD2 LYS 18 11.737 24.486 -1.993 137 HD3 LYS 18 HD3 LYS 18 11.576 23.105 -0.905 138 HE2 LYS 18 HE2 LYS 18 12.617 22.216 -2.795 139 HE3 LYS 18 HE3 LYS 18 10.921 21.780 -3.000 140 HZ1 LYS 18 HZ1 LYS 18 11.567 24.322 -4.157 141 HZ2 LYS 18 HZ2 LYS 18 10.775 22.994 -4.844 142 HZ3 LYS 18 HZ3 LYS 18 12.466 23.057 -4.833 143 H ARG 19 H ARG 19 7.868 26.226 1.503 144 HA ARG 19 HA ARG 19 7.170 28.285 2.184 145 HB2 ARG 19 HB2 ARG 19 9.380 27.710 3.563 146 HB3 ARG 19 HB3 ARG 19 9.972 29.134 2.718 147 HG2 ARG 19 HG2 ARG 19 8.340 30.520 3.702 148 HG3 ARG 19 HG3 ARG 19 7.411 29.138 4.283 149 HD2 ARG 19 HD2 ARG 19 10.227 29.660 5.187 150 HD3 ARG 19 HD3 ARG 19 8.840 30.401 5.983 151 HE ARG 19 HE ARG 19 9.707 27.684 6.209 152 HH11 ARG 19 HH11 ARG 19 6.940 29.792 6.351 153 HH12 ARG 19 HH12 ARG 19 6.030 28.743 7.386 154 HH21 ARG 19 HH21 ARG 19 8.518 26.294 7.572 155 HH22 ARG 19 HH22 ARG 19 6.929 26.753 8.081 156 H TRP 20 H TRP 20 7.796 28.017 -0.614 157 HA TRP 20 HA TRP 20 8.929 30.620 -1.321 158 HB2 TRP 20 HB2 TRP 20 8.562 28.038 -2.717 159 HB3 TRP 20 HB3 TRP 20 8.353 29.480 -3.708 160 HD1 TRP 20 HD1 TRP 20 10.930 29.462 -0.889 161 HE1 TRP 20 HE1 TRP 20 13.285 29.579 -1.922 162 HE3 TRP 20 HE3 TRP 20 9.686 28.884 -5.813 163 HZ2 TRP 20 HZ2 TRP 20 14.459 29.445 -4.485 164 HZ3 TRP 20 HZ3 TRP 20 11.484 28.891 -7.493 165 HH2 TRP 20 HH2 TRP 20 13.821 29.166 -6.840 166 H SER 21 H SER 21 6.116 28.666 -2.329 167 HA SER 21 HA SER 21 4.220 30.687 -1.855 168 HB2 SER 21 HB2 SER 21 3.695 31.357 -4.165 169 HB3 SER 21 HB3 SER 21 5.336 31.828 -3.724 170 HG SER 21 HG SER 21 4.918 30.705 -5.846 171 H THR 22 H THR 22 2.088 30.048 -2.393 172 HA THR 22 HA THR 22 1.551 27.334 -2.206 173 HB THR 22 HB THR 22 -0.142 28.948 -1.618 174 HG1 THR 22 HG1 THR 22 -0.734 26.818 -2.589 175 HG21 THR 22 HG21 THR 22 0.470 30.613 -3.381 176 HG22 THR 22 HG22 THR 22 -1.266 30.347 -3.214 177 HG23 THR 22 HG23 THR 22 -0.385 29.610 -4.552 178 H GLU 23 H GLU 23 1.798 29.384 -5.069 179 HA GLU 23 HA GLU 23 0.871 27.485 -6.939 180 HB2 GLU 23 HB2 GLU 23 1.014 29.866 -7.467 181 HB3 GLU 23 HB3 GLU 23 2.765 29.811 -7.319 182 HG2 GLU 23 HG2 GLU 23 3.004 28.546 -9.274 183 HG3 GLU 23 HG3 GLU 23 1.295 28.114 -9.305 184 H MET 24 H MET 24 4.156 28.360 -5.898 185 HA MET 24 HA MET 24 5.496 26.525 -7.570 186 HB2 MET 24 HB2 MET 24 6.257 27.989 -5.060 187 HB3 MET 24 HB3 MET 24 7.347 26.811 -5.779 188 HG2 MET 24 HG2 MET 24 6.217 29.120 -7.327 189 HG3 MET 24 HG3 MET 24 7.710 29.232 -6.399 190 HE1 MET 24 HE1 MET 24 6.803 29.682 -9.319 191 HE2 MET 24 HE2 MET 24 8.528 29.736 -9.683 192 HE3 MET 24 HE3 MET 24 7.481 28.600 -10.536 193 H VAL 25 H VAL 25 4.443 26.314 -4.187 194 HA VAL 25 HA VAL 25 5.502 23.799 -3.597 195 HB VAL 25 HB VAL 25 2.954 25.016 -2.519 196 HG11 VAL 25 HG11 VAL 25 4.738 22.885 -1.345 197 HG12 VAL 25 HG12 VAL 25 3.290 23.564 -0.600 198 HG13 VAL 25 HG13 VAL 25 3.158 22.609 -2.077 199 HG21 VAL 25 HG21 VAL 25 5.281 25.123 -0.801 200 HG22 VAL 25 HG22 VAL 25 5.553 25.976 -2.321 201 HG23 VAL 25 HG23 VAL 25 4.187 26.414 -1.297 202 H HIS 26 H HIS 26 2.274 24.663 -4.819 203 HA HIS 26 HA HIS 26 1.251 22.057 -4.959 204 HB2 HIS 26 HB2 HIS 26 0.163 24.472 -5.326 205 HB3 HIS 26 HB3 HIS 26 0.399 24.031 -7.015 206 HD1 HIS 26 HD1 HIS 26 -1.881 23.417 -7.786 207 HD2 HIS 26 HD2 HIS 26 -0.947 21.680 -4.130 208 HE1 HIS 26 HE1 HIS 26 -3.801 21.881 -7.262 209 H ARG 27 H ARG 27 2.958 24.011 -7.376 210 HA ARG 27 HA ARG 27 2.772 22.165 -9.492 211 HB2 ARG 27 HB2 ARG 27 3.367 24.426 -9.986 212 HB3 ARG 27 HB3 ARG 27 4.752 24.364 -8.905 213 HG2 ARG 27 HG2 ARG 27 5.813 22.718 -10.398 214 HG3 ARG 27 HG3 ARG 27 4.442 22.870 -11.499 215 HD2 ARG 27 HD2 ARG 27 5.045 24.972 -12.179 216 HD3 ARG 27 HD3 ARG 27 5.863 25.344 -10.663 217 HE ARG 27 HE ARG 27 7.363 23.363 -11.825 218 HH11 ARG 27 HH11 ARG 27 6.301 26.554 -12.726 219 HH12 ARG 27 HH12 ARG 27 7.685 26.877 -13.718 220 HH21 ARG 27 HH21 ARG 27 9.190 23.776 -13.128 221 HH22 ARG 27 HH22 ARG 27 9.327 25.295 -13.946 222 H CYS 28 H CYS 28 5.237 22.649 -6.995 223 HA CYS 28 HA CYS 28 7.109 20.791 -7.931 224 HB2 CYS 28 HB2 CYS 28 7.614 22.432 -6.177 225 HB3 CYS 28 HB3 CYS 28 6.516 21.604 -5.077 226 H GLU 29 H GLU 29 4.569 20.376 -5.464 227 HA GLU 29 HA GLU 29 4.974 17.711 -4.872 228 HB2 GLU 29 HB2 GLU 29 2.389 19.267 -5.003 229 HB3 GLU 29 HB3 GLU 29 2.527 17.659 -4.307 230 HG2 GLU 29 HG2 GLU 29 4.100 18.499 -2.649 231 HG3 GLU 29 HG3 GLU 29 3.989 20.111 -3.353 232 H LYS 30 H LYS 30 2.704 19.017 -7.293 233 HA LYS 30 HA LYS 30 1.823 16.604 -8.340 234 HB2 LYS 30 HB2 LYS 30 1.995 19.395 -9.356 235 HB3 LYS 30 HB3 LYS 30 1.690 18.126 -10.534 236 HG2 LYS 30 HG2 LYS 30 -0.134 17.425 -8.740 237 HG3 LYS 30 HG3 LYS 30 -0.028 19.143 -8.348 238 HD2 LYS 30 HD2 LYS 30 -0.240 19.453 -10.931 239 HD3 LYS 30 HD3 LYS 30 -0.912 17.822 -10.881 240 HE2 LYS 30 HE2 LYS 30 -1.915 20.202 -9.321 241 HE3 LYS 30 HE3 LYS 30 -2.669 19.518 -10.760 242 HZ1 LYS 30 HZ1 LYS 30 -2.506 17.368 -9.189 243 HZ2 LYS 30 HZ2 LYS 30 -3.858 18.381 -9.254 244 HZ3 LYS 30 HZ3 LYS 30 -2.715 18.574 -8.021 245 H LYS 31 H LYS 31 4.746 18.424 -9.028 246 HA LYS 31 HA LYS 31 5.536 16.941 -11.313 247 HB2 LYS 31 HB2 LYS 31 6.510 19.153 -9.843 248 HB3 LYS 31 HB3 LYS 31 7.805 17.964 -9.881 249 HG2 LYS 31 HG2 LYS 31 7.637 17.870 -12.324 250 HG3 LYS 31 HG3 LYS 31 6.361 19.089 -12.273 251 HD2 LYS 31 HD2 LYS 31 8.394 20.217 -12.789 252 HD3 LYS 31 HD3 LYS 31 7.993 20.607 -11.115 253 HE2 LYS 31 HE2 LYS 31 10.364 20.114 -11.337 254 HE3 LYS 31 HE3 LYS 31 9.566 18.894 -10.346 255 HZ1 LYS 31 HZ1 LYS 31 9.934 18.460 -13.238 256 HZ2 LYS 31 HZ2 LYS 31 9.729 17.317 -12.009 257 HZ3 LYS 31 HZ3 LYS 31 11.198 18.141 -12.160 258 H CYS 32 H CYS 32 6.234 16.639 -7.861 259 HA CYS 32 HA CYS 32 8.156 14.596 -8.051 260 HB2 CYS 32 HB2 CYS 32 6.278 15.454 -5.861 261 HB3 CYS 32 HB3 CYS 32 7.366 14.086 -5.652 262 H GLU 33 H GLU 33 4.634 14.496 -7.785 263 HA GLU 33 HA GLU 33 4.509 11.640 -7.612 264 HB2 GLU 33 HB2 GLU 33 2.330 13.609 -8.328 265 HB3 GLU 33 HB3 GLU 33 2.096 11.931 -7.859 266 HG2 GLU 33 HG2 GLU 33 2.922 12.385 -5.644 267 HG3 GLU 33 HG3 GLU 33 3.316 14.042 -6.096 268 H GLU 34 H GLU 34 4.387 14.007 -10.187 269 HA GLU 34 HA GLU 34 3.448 12.223 -12.202 270 HB2 GLU 34 HB2 GLU 34 4.776 14.922 -12.268 271 HB3 GLU 34 HB3 GLU 34 4.420 14.039 -13.746 272 HG2 GLU 34 HG2 GLU 34 2.147 14.216 -11.934 273 HG3 GLU 34 HG3 GLU 34 2.741 15.785 -12.475 274 H LYS 35 H LYS 35 6.666 13.530 -11.425 275 HA LYS 35 HA LYS 35 8.053 12.064 -13.398 276 HB2 LYS 35 HB2 LYS 35 8.687 13.986 -11.446 277 HB3 LYS 35 HB3 LYS 35 9.693 12.590 -11.082 278 HG2 LYS 35 HG2 LYS 35 9.516 13.779 -13.834 279 HG3 LYS 35 HG3 LYS 35 10.679 14.329 -12.626 280 HD2 LYS 35 HD2 LYS 35 11.715 12.186 -12.534 281 HD3 LYS 35 HD3 LYS 35 10.426 11.454 -13.492 282 HE2 LYS 35 HE2 LYS 35 12.310 11.763 -14.923 283 HE3 LYS 35 HE3 LYS 35 11.090 12.951 -15.380 284 HZ1 LYS 35 HZ1 LYS 35 13.649 13.546 -14.940 285 HZ2 LYS 35 HZ2 LYS 35 13.014 13.835 -13.399 286 HZ3 LYS 35 HZ3 LYS 35 12.385 14.653 -14.739 287 H PHE 36 H PHE 36 6.628 11.097 -10.482 288 HA PHE 36 HA PHE 36 8.414 8.958 -9.833 289 HB2 PHE 36 HB2 PHE 36 6.336 10.231 -8.533 290 HB3 PHE 36 HB3 PHE 36 5.659 8.648 -8.901 291 HD1 PHE 36 HD2 PHE 36 8.313 10.436 -7.103 292 HD2 PHE 36 HD1 PHE 36 6.453 6.675 -7.818 293 HE1 PHE 36 HE2 PHE 36 9.508 9.482 -5.175 294 HE2 PHE 36 HE1 PHE 36 7.644 5.715 -5.891 295 HZ PHE 36 HZ PHE 36 9.175 7.119 -4.568 296 H GLU 37 H GLU 37 5.820 9.380 -12.051 297 HA GLU 37 HA GLU 37 4.856 6.779 -12.313 298 HB2 GLU 37 HB2 GLU 37 3.967 7.445 -14.409 299 HB3 GLU 37 HB3 GLU 37 3.941 8.878 -13.391 300 HG2 GLU 37 HG2 GLU 37 6.205 9.429 -14.484 301 HG3 GLU 37 HG3 GLU 37 5.731 8.242 -15.699 302 H ARG 38 H ARG 38 7.871 8.153 -13.269 303 HA ARG 38 HA ARG 38 8.558 6.304 -15.304 304 HB2 ARG 38 HB2 ARG 38 9.641 8.573 -14.755 305 HB3 ARG 38 HB3 ARG 38 10.548 7.698 -13.529 306 HG2 ARG 38 HG2 ARG 38 11.949 7.792 -15.406 307 HG3 ARG 38 HG3 ARG 38 11.299 6.151 -15.389 308 HD2 ARG 38 HD2 ARG 38 9.454 7.218 -16.928 309 HD3 ARG 38 HD3 ARG 38 10.711 8.415 -17.237 310 HE ARG 38 HE ARG 38 11.816 5.863 -17.556 311 HH11 ARG 38 HH11 ARG 38 9.485 7.960 -19.070 312 HH12 ARG 38 HH12 ARG 38 9.729 7.303 -20.655 313 HH21 ARG 38 HH21 ARG 38 12.146 4.990 -19.638 314 HH22 ARG 38 HH22 ARG 38 11.242 5.613 -20.976 315 H GLN 39 H GLN 39 8.624 4.180 -14.952 316 HA GLN 39 HA GLN 39 9.067 2.979 -12.437 317 HB2 GLN 39 HB2 GLN 39 8.503 2.116 -15.141 318 HB3 GLN 39 HB3 GLN 39 9.689 1.063 -14.381 319 HG2 GLN 39 HG2 GLN 39 7.106 1.796 -13.043 320 HG3 GLN 39 HG3 GLN 39 7.249 0.425 -14.142 321 HE21 GLN 39 HE21 GLN 39 6.440 -0.210 -11.739 322 HE22 GLN 39 HE22 GLN 39 7.692 -0.930 -10.792 323 H GLN 40 H GLN 40 11.172 3.386 -15.269 324 HA GLN 40 HA GLN 40 13.495 3.227 -13.517 325 HB2 GLN 40 HB2 GLN 40 14.608 1.528 -14.735 326 HB3 GLN 40 HB3 GLN 40 12.989 0.914 -14.425 327 HG2 GLN 40 HG2 GLN 40 12.447 1.876 -16.767 328 HG3 GLN 40 HG3 GLN 40 14.195 1.851 -16.988 329 HE21 GLN 40 HE21 GLN 40 14.728 0.164 -18.165 330 HE22 GLN 40 HE22 GLN 40 14.108 -1.439 -17.989 331 H ARG 41 H ARG 41 15.351 4.233 -14.347 332 HA ARG 41 HA ARG 41 14.785 6.246 -16.350 333 HB2 ARG 41 HB2 ARG 41 16.364 6.165 -14.066 334 HB3 ARG 41 HB3 ARG 41 17.530 6.152 -15.383 335 HG2 ARG 41 HG2 ARG 41 15.338 8.183 -15.010 336 HG3 ARG 41 HG3 ARG 41 17.041 8.416 -14.607 337 HD2 ARG 41 HD2 ARG 41 17.611 8.011 -16.983 338 HD3 ARG 41 HD3 ARG 41 15.889 7.906 -17.347 339 HE ARG 41 HE ARG 41 16.094 10.313 -16.155 340 HH11 ARG 41 HH11 ARG 41 17.850 8.808 -18.758 341 HH12 ARG 41 HH12 ARG 41 18.195 10.303 -19.563 342 HH21 ARG 41 HH21 ARG 41 16.542 12.287 -17.206 343 HH22 ARG 41 HH22 ARG 41 17.451 12.281 -18.679 Start of MODEL 7 1 H1 SER 1 H SER 1 3.727 -3.161 6.405 2 HA SER 1 HA SER 1 4.603 -4.194 3.789 3 HB2 SER 1 HB2 SER 1 2.471 -2.107 4.275 4 HB3 SER 1 HB3 SER 1 2.820 -2.955 2.769 5 HG SER 1 HG SER 1 0.995 -3.791 3.962 6 H GLU 2 H GLU 2 6.260 -3.192 2.879 7 HA GLU 2 HA GLU 2 6.706 -0.348 3.498 8 HB2 GLU 2 HB2 GLU 2 9.223 -1.165 3.009 9 HB3 GLU 2 HB3 GLU 2 8.522 -1.112 4.621 10 HG2 GLU 2 HG2 GLU 2 9.701 -3.205 4.209 11 HG3 GLU 2 HG3 GLU 2 7.983 -3.469 4.497 12 H LYS 3 H LYS 3 7.890 0.838 1.857 13 HA LYS 3 HA LYS 3 8.290 -0.328 -0.735 14 HB2 LYS 3 HB2 LYS 3 5.849 1.266 -0.133 15 HB3 LYS 3 HB3 LYS 3 6.651 1.560 -1.670 16 HG2 LYS 3 HG2 LYS 3 6.547 -0.991 -1.973 17 HG3 LYS 3 HG3 LYS 3 5.351 -0.945 -0.675 18 HD2 LYS 3 HD2 LYS 3 5.133 0.789 -3.122 19 HD3 LYS 3 HD3 LYS 3 4.471 -0.846 -3.064 20 HE2 LYS 3 HE2 LYS 3 3.793 1.046 -0.868 21 HE3 LYS 3 HE3 LYS 3 3.011 1.261 -2.433 22 HZ1 LYS 3 HZ1 LYS 3 2.913 -1.123 -0.675 23 HZ2 LYS 3 HZ2 LYS 3 2.382 -1.143 -2.281 24 HZ3 LYS 3 HZ3 LYS 3 1.625 -0.135 -1.153 25 HA PRO 4 HA PRO 4 11.085 3.022 -1.191 26 HB2 PRO 4 HB2 PRO 4 10.959 3.539 -3.853 27 HB3 PRO 4 HB3 PRO 4 11.730 2.093 -3.191 28 HG2 PRO 4 HG2 PRO 4 8.997 2.410 -4.369 29 HG3 PRO 4 HG3 PRO 4 10.175 1.108 -4.612 30 HD2 PRO 4 HD2 PRO 4 8.065 0.868 -2.933 31 HD3 PRO 4 HD3 PRO 4 9.620 0.065 -2.633 32 H GLN 5 H GLN 5 7.775 3.444 -1.938 33 HA GLN 5 HA GLN 5 7.789 6.135 -2.794 34 HB2 GLN 5 HB2 GLN 5 5.599 4.680 -1.304 35 HB3 GLN 5 HB3 GLN 5 5.415 6.131 -2.281 36 HG2 GLN 5 HG2 GLN 5 6.055 3.349 -3.208 37 HG3 GLN 5 HG3 GLN 5 4.631 4.320 -3.576 38 HE21 GLN 5 HE21 GLN 5 4.743 5.885 -5.147 39 HE22 GLN 5 HE22 GLN 5 6.081 6.039 -6.229 40 H GLN 6 H GLN 6 8.440 4.737 0.222 41 HA GLN 6 HA GLN 6 7.444 6.575 2.045 42 HB2 GLN 6 HB2 GLN 6 9.154 5.806 3.566 43 HB3 GLN 6 HB3 GLN 6 8.555 4.437 2.638 44 HG2 GLN 6 HG2 GLN 6 10.555 4.863 1.093 45 HG3 GLN 6 HG3 GLN 6 11.181 5.854 2.410 46 HE21 GLN 6 HE21 GLN 6 12.403 3.520 1.387 47 HE22 GLN 6 HE22 GLN 6 12.434 2.342 2.650 48 H GLU 7 H GLU 7 10.172 6.814 -0.118 49 HA GLU 7 HA GLU 7 11.353 9.094 1.135 50 HB2 GLU 7 HB2 GLU 7 11.894 7.400 -1.151 51 HB3 GLU 7 HB3 GLU 7 12.127 9.095 -1.554 52 HG2 GLU 7 HG2 GLU 7 13.648 9.334 0.346 53 HG3 GLU 7 HG3 GLU 7 13.423 7.629 0.733 54 H LEU 8 H LEU 8 9.015 8.595 -1.443 55 HA LEU 8 HA LEU 8 8.939 11.160 -2.521 56 HB2 LEU 8 HB2 LEU 8 7.789 9.105 -3.387 57 HB3 LEU 8 HB3 LEU 8 6.562 9.349 -2.145 58 HG LEU 8 HG LEU 8 6.073 11.573 -3.183 59 HD11 LEU 8 HD11 LEU 8 7.116 12.340 -5.029 60 HD12 LEU 8 HD12 LEU 8 7.345 10.727 -5.705 61 HD13 LEU 8 HD13 LEU 8 8.430 11.318 -4.446 62 HD21 LEU 8 HD21 LEU 8 5.457 10.001 -5.461 63 HD22 LEU 8 HD22 LEU 8 4.406 10.448 -4.116 64 HD23 LEU 8 HD23 LEU 8 5.354 8.961 -4.040 65 H GLU 9 H GLU 9 7.053 9.795 0.167 66 HA GLU 9 HA GLU 9 5.442 11.958 0.748 67 HB2 GLU 9 HB2 GLU 9 6.715 9.953 2.613 68 HB3 GLU 9 HB3 GLU 9 5.485 11.103 3.119 69 HG2 GLU 9 HG2 GLU 9 3.867 10.121 1.669 70 HG3 GLU 9 HG3 GLU 9 5.087 9.094 0.918 71 H GLU 10 H GLU 10 8.821 11.440 1.539 72 HA GLU 10 HA GLU 10 9.039 13.645 3.337 73 HB2 GLU 10 HB2 GLU 10 11.191 12.189 1.790 74 HB3 GLU 10 HB3 GLU 10 11.467 13.300 3.124 75 HG2 GLU 10 HG2 GLU 10 9.859 10.774 3.381 76 HG3 GLU 10 HG3 GLU 10 11.591 10.865 3.696 77 H CYS 11 H CYS 11 9.791 13.166 -0.093 78 HA CYS 11 HA CYS 11 10.917 15.697 -0.566 79 HB2 CYS 11 HB2 CYS 11 10.824 13.544 -2.058 80 HB3 CYS 11 HB3 CYS 11 9.342 14.266 -2.676 81 H GLN 12 H GLN 12 7.591 14.523 -1.034 82 HA GLN 12 HA GLN 12 6.547 16.985 -1.937 83 HB2 GLN 12 HB2 GLN 12 5.090 14.728 -0.551 84 HB3 GLN 12 HB3 GLN 12 4.352 16.002 -1.513 85 HG2 GLN 12 HG2 GLN 12 6.353 14.738 -3.084 86 HG3 GLN 12 HG3 GLN 12 5.334 13.493 -2.363 87 HE21 GLN 12 HE21 GLN 12 5.579 14.356 -5.145 88 HE22 GLN 12 HE22 GLN 12 3.990 14.820 -5.640 89 H ASN 13 H ASN 13 6.688 15.493 1.273 90 HA ASN 13 HA ASN 13 5.172 17.334 2.691 91 HB2 ASN 13 HB2 ASN 13 5.954 15.238 3.674 92 HB3 ASN 13 HB3 ASN 13 7.619 15.810 3.613 93 HD21 ASN 13 HD21 ASN 13 8.395 16.775 5.349 94 HD22 ASN 13 HD22 ASN 13 7.461 17.403 6.660 95 H VAL 14 H VAL 14 8.565 17.464 1.736 96 HA VAL 14 HA VAL 14 9.180 19.828 3.201 97 HB VAL 14 HB VAL 14 10.582 18.636 0.804 98 HG11 VAL 14 HG11 VAL 14 11.036 21.064 2.346 99 HG12 VAL 14 HG12 VAL 14 12.447 20.005 2.292 100 HG13 VAL 14 HG13 VAL 14 11.706 20.566 0.793 101 HG21 VAL 14 HG21 VAL 14 11.540 17.155 2.167 102 HG22 VAL 14 HG22 VAL 14 11.892 18.386 3.380 103 HG23 VAL 14 HG23 VAL 14 10.315 17.596 3.357 104 H CYS 15 H CYS 15 8.177 19.178 -0.124 105 HA CYS 15 HA CYS 15 8.530 21.730 -1.191 106 HB2 CYS 15 HB2 CYS 15 6.479 19.612 -1.860 107 HB3 CYS 15 HB3 CYS 15 6.758 21.054 -2.831 108 H ARG 16 H ARG 16 5.774 20.338 0.539 109 HA ARG 16 HA ARG 16 4.041 22.543 0.226 110 HB2 ARG 16 HB2 ARG 16 4.097 20.510 2.464 111 HB3 ARG 16 HB3 ARG 16 2.743 21.549 2.039 112 HG2 ARG 16 HG2 ARG 16 2.162 20.294 0.240 113 HG3 ARG 16 HG3 ARG 16 3.822 19.792 -0.086 114 HD2 ARG 16 HD2 ARG 16 3.624 18.446 2.093 115 HD3 ARG 16 HD3 ARG 16 1.888 18.707 1.935 116 HE ARG 16 HE ARG 16 3.536 16.956 0.347 117 HH11 ARG 16 HH11 ARG 16 0.546 18.730 0.524 118 HH12 ARG 16 HH12 ARG 16 -0.270 17.724 -0.627 119 HH21 ARG 16 HH21 ARG 16 2.473 15.624 -1.170 120 HH22 ARG 16 HH22 ARG 16 0.827 15.957 -1.589 121 H MET 17 H MET 17 6.788 22.043 2.211 122 HA MET 17 HA MET 17 6.042 24.049 4.168 123 HB2 MET 17 HB2 MET 17 8.347 22.189 3.793 124 HB3 MET 17 HB3 MET 17 8.580 23.620 4.787 125 HG2 MET 17 HG2 MET 17 6.335 22.760 5.895 126 HG3 MET 17 HG3 MET 17 6.919 21.218 5.273 127 HE1 MET 17 HE1 MET 17 7.377 20.844 8.803 128 HE2 MET 17 HE2 MET 17 6.822 20.239 7.242 129 HE3 MET 17 HE3 MET 17 8.440 19.836 7.820 130 H LYS 18 H LYS 18 6.984 24.235 1.071 131 HA LYS 18 HA LYS 18 9.053 26.209 1.219 132 HB2 LYS 18 HB2 LYS 18 7.240 25.369 -1.049 133 HB3 LYS 18 HB3 LYS 18 8.571 26.505 -1.219 134 HG2 LYS 18 HG2 LYS 18 8.784 23.611 -0.415 135 HG3 LYS 18 HG3 LYS 18 9.240 24.311 -1.970 136 HD2 LYS 18 HD2 LYS 18 10.848 25.784 -0.681 137 HD3 LYS 18 HD3 LYS 18 10.524 24.755 0.716 138 HE2 LYS 18 HE2 LYS 18 12.457 23.847 -0.239 139 HE3 LYS 18 HE3 LYS 18 11.156 22.800 -0.806 140 HZ1 LYS 18 HZ1 LYS 18 13.000 23.919 -2.394 141 HZ2 LYS 18 HZ2 LYS 18 11.745 25.045 -2.530 142 HZ3 LYS 18 HZ3 LYS 18 11.472 23.421 -2.920 143 H ARG 19 H ARG 19 8.774 28.242 1.828 144 HA ARG 19 HA ARG 19 6.114 29.425 1.775 145 HB2 ARG 19 HB2 ARG 19 8.730 30.273 3.009 146 HB3 ARG 19 HB3 ARG 19 7.319 31.323 2.981 147 HG2 ARG 19 HG2 ARG 19 6.051 29.615 4.219 148 HG3 ARG 19 HG3 ARG 19 7.507 28.620 4.294 149 HD2 ARG 19 HD2 ARG 19 7.550 31.441 5.289 150 HD3 ARG 19 HD3 ARG 19 6.893 30.154 6.299 151 HE ARG 19 HE ARG 19 9.657 30.626 5.672 152 HH11 ARG 19 HH11 ARG 19 7.309 28.242 6.633 153 HH12 ARG 19 HH12 ARG 19 8.476 27.203 7.381 154 HH21 ARG 19 HH21 ARG 19 11.204 29.267 6.654 155 HH22 ARG 19 HH22 ARG 19 10.691 27.788 7.393 156 H TRP 20 H TRP 20 7.006 29.054 -0.766 157 HA TRP 20 HA TRP 20 7.977 31.684 -1.647 158 HB2 TRP 20 HB2 TRP 20 7.937 28.992 -3.015 159 HB3 TRP 20 HB3 TRP 20 8.327 30.489 -3.858 160 HD1 TRP 20 HD1 TRP 20 9.591 28.774 -0.596 161 HE1 TRP 20 HE1 TRP 20 12.156 28.978 -0.551 162 HE3 TRP 20 HE3 TRP 20 10.278 31.347 -4.961 163 HZ2 TRP 20 HZ2 TRP 20 14.201 30.083 -2.153 164 HZ3 TRP 20 HZ3 TRP 20 12.570 31.939 -5.632 165 HH2 TRP 20 HH2 TRP 20 14.489 31.320 -4.256 166 H SER 21 H SER 21 5.735 29.188 -2.869 167 HA SER 21 HA SER 21 3.478 30.856 -2.946 168 HB2 SER 21 HB2 SER 21 3.313 31.215 -5.404 169 HB3 SER 21 HB3 SER 21 4.655 32.096 -4.674 170 HG SER 21 HG SER 21 4.800 30.478 -6.692 171 H THR 22 H THR 22 1.629 29.816 -3.832 172 HA THR 22 HA THR 22 1.470 27.090 -3.446 173 HB THR 22 HB THR 22 -0.544 28.392 -3.482 174 HG1 THR 22 HG1 THR 22 -0.759 26.785 -5.805 175 HG21 THR 22 HG21 THR 22 0.238 30.034 -5.194 176 HG22 THR 22 HG22 THR 22 -1.416 29.476 -5.444 177 HG23 THR 22 HG23 THR 22 -0.108 28.832 -6.436 178 H GLU 23 H GLU 23 2.038 28.857 -6.460 179 HA GLU 23 HA GLU 23 1.900 26.691 -8.225 180 HB2 GLU 23 HB2 GLU 23 3.520 29.236 -8.382 181 HB3 GLU 23 HB3 GLU 23 3.343 28.101 -9.713 182 HG2 GLU 23 HG2 GLU 23 0.999 29.413 -8.371 183 HG3 GLU 23 HG3 GLU 23 1.838 30.121 -9.750 184 H MET 24 H MET 24 4.647 28.026 -6.424 185 HA MET 24 HA MET 24 6.604 26.307 -7.509 186 HB2 MET 24 HB2 MET 24 6.418 28.082 -5.124 187 HB3 MET 24 HB3 MET 24 7.705 26.884 -5.157 188 HG2 MET 24 HG2 MET 24 7.269 28.716 -7.478 189 HG3 MET 24 HG3 MET 24 8.161 29.254 -6.056 190 HE1 MET 24 HE1 MET 24 11.113 28.913 -8.187 191 HE2 MET 24 HE2 MET 24 9.777 28.723 -9.323 192 HE3 MET 24 HE3 MET 24 9.634 29.850 -7.973 193 H VAL 25 H VAL 25 4.381 25.991 -4.812 194 HA VAL 25 HA VAL 25 5.568 23.690 -3.652 195 HB VAL 25 HB VAL 25 2.698 24.624 -3.500 196 HG11 VAL 25 HG11 VAL 25 2.613 23.291 -1.433 197 HG12 VAL 25 HG12 VAL 25 2.912 22.294 -2.858 198 HG13 VAL 25 HG13 VAL 25 4.239 22.695 -1.766 199 HG21 VAL 25 HG21 VAL 25 3.434 26.277 -2.214 200 HG22 VAL 25 HG22 VAL 25 4.128 25.095 -1.104 201 HG23 VAL 25 HG23 VAL 25 5.097 25.732 -2.433 202 H HIS 26 H HIS 26 2.831 24.109 -5.884 203 HA HIS 26 HA HIS 26 2.212 21.378 -6.149 204 HB2 HIS 26 HB2 HIS 26 0.970 23.595 -6.944 205 HB3 HIS 26 HB3 HIS 26 1.780 23.211 -8.460 206 HD1 HIS 26 HD1 HIS 26 0.038 22.211 -9.906 207 HD2 HIS 26 HD2 HIS 26 -0.127 20.731 -6.027 208 HE1 HIS 26 HE1 HIS 26 -1.732 20.425 -9.943 209 H ARG 27 H ARG 27 4.106 23.516 -8.283 210 HA ARG 27 HA ARG 27 4.852 21.624 -10.171 211 HB2 ARG 27 HB2 ARG 27 6.136 24.154 -9.190 212 HB3 ARG 27 HB3 ARG 27 6.953 23.149 -10.380 213 HG2 ARG 27 HG2 ARG 27 5.386 23.569 -12.014 214 HG3 ARG 27 HG3 ARG 27 4.129 23.985 -10.847 215 HD2 ARG 27 HD2 ARG 27 5.091 26.095 -10.414 216 HD3 ARG 27 HD3 ARG 27 6.599 25.656 -11.214 217 HE ARG 27 HE ARG 27 5.674 26.310 -13.191 218 HH11 ARG 27 HH11 ARG 27 3.111 25.678 -10.921 219 HH12 ARG 27 HH12 ARG 27 1.858 26.233 -11.981 220 HH21 ARG 27 HH21 ARG 27 4.033 27.043 -14.596 221 HH22 ARG 27 HH22 ARG 27 2.384 27.008 -14.072 222 H CYS 28 H CYS 28 6.296 22.383 -7.046 223 HA CYS 28 HA CYS 28 8.635 20.850 -7.311 224 HB2 CYS 28 HB2 CYS 28 8.243 22.535 -5.526 225 HB3 CYS 28 HB3 CYS 28 7.089 21.437 -4.778 226 H GLU 29 H GLU 29 5.559 20.025 -5.703 227 HA GLU 29 HA GLU 29 6.180 17.402 -5.032 228 HB2 GLU 29 HB2 GLU 29 3.504 18.599 -5.768 229 HB3 GLU 29 HB3 GLU 29 3.715 17.022 -5.020 230 HG2 GLU 29 HG2 GLU 29 4.867 18.186 -3.121 231 HG3 GLU 29 HG3 GLU 29 4.361 19.711 -3.846 232 H LYS 30 H LYS 30 4.544 18.612 -7.952 233 HA LYS 30 HA LYS 30 4.122 16.186 -9.229 234 HB2 LYS 30 HB2 LYS 30 4.611 18.964 -10.274 235 HB3 LYS 30 HB3 LYS 30 4.348 17.613 -11.370 236 HG2 LYS 30 HG2 LYS 30 2.149 17.366 -10.760 237 HG3 LYS 30 HG3 LYS 30 2.395 18.099 -9.173 238 HD2 LYS 30 HD2 LYS 30 1.247 19.764 -10.286 239 HD3 LYS 30 HD3 LYS 30 2.923 20.246 -10.557 240 HE2 LYS 30 HE2 LYS 30 1.376 18.548 -12.500 241 HE3 LYS 30 HE3 LYS 30 1.391 20.309 -12.574 242 HZ1 LYS 30 HZ1 LYS 30 3.570 18.410 -13.096 243 HZ2 LYS 30 HZ2 LYS 30 3.951 19.961 -12.538 244 HZ3 LYS 30 HZ3 LYS 30 3.095 19.770 -13.984 245 H LYS 31 H LYS 31 7.021 18.164 -9.056 246 HA LYS 31 HA LYS 31 8.497 16.755 -11.029 247 HB2 LYS 31 HB2 LYS 31 9.087 18.769 -8.933 248 HB3 LYS 31 HB3 LYS 31 10.443 17.793 -9.485 249 HG2 LYS 31 HG2 LYS 31 9.528 18.469 -11.859 250 HG3 LYS 31 HG3 LYS 31 8.836 19.816 -10.951 251 HD2 LYS 31 HD2 LYS 31 10.926 20.625 -10.322 252 HD3 LYS 31 HD3 LYS 31 11.723 19.080 -10.627 253 HE2 LYS 31 HE2 LYS 31 12.397 20.447 -12.402 254 HE3 LYS 31 HE3 LYS 31 11.110 19.450 -13.079 255 HZ1 LYS 31 HZ1 LYS 31 9.983 21.269 -13.585 256 HZ2 LYS 31 HZ2 LYS 31 11.258 22.224 -13.017 257 HZ3 LYS 31 HZ3 LYS 31 9.998 21.789 -11.975 258 H CYS 32 H CYS 32 8.595 16.641 -7.467 259 HA CYS 32 HA CYS 32 10.469 14.613 -7.191 260 HB2 CYS 32 HB2 CYS 32 8.143 15.452 -5.471 261 HB3 CYS 32 HB3 CYS 32 9.219 14.143 -4.993 262 H GLU 33 H GLU 33 7.123 14.448 -8.102 263 HA GLU 33 HA GLU 33 6.785 11.656 -7.590 264 HB2 GLU 33 HB2 GLU 33 5.214 13.811 -8.888 265 HB3 GLU 33 HB3 GLU 33 4.863 12.168 -9.405 266 HG2 GLU 33 HG2 GLU 33 4.992 12.729 -6.492 267 HG3 GLU 33 HG3 GLU 33 3.588 13.291 -7.397 268 H GLU 34 H GLU 34 7.222 13.548 -10.580 269 HA GLU 34 HA GLU 34 7.403 11.314 -12.291 270 HB2 GLU 34 HB2 GLU 34 8.414 12.925 -13.907 271 HB3 GLU 34 HB3 GLU 34 6.893 13.471 -13.213 272 HG2 GLU 34 HG2 GLU 34 8.117 14.899 -11.653 273 HG3 GLU 34 HG3 GLU 34 9.639 14.358 -12.358 274 H LYS 35 H LYS 35 9.843 13.203 -10.574 275 HA LYS 35 HA LYS 35 12.095 11.937 -11.736 276 HB2 LYS 35 HB2 LYS 35 11.606 13.988 -9.826 277 HB3 LYS 35 HB3 LYS 35 12.700 12.824 -9.090 278 HG2 LYS 35 HG2 LYS 35 13.127 14.176 -11.747 279 HG3 LYS 35 HG3 LYS 35 13.892 14.635 -10.224 280 HD2 LYS 35 HD2 LYS 35 14.866 12.344 -10.101 281 HD3 LYS 35 HD3 LYS 35 14.210 12.028 -11.709 282 HE2 LYS 35 HE2 LYS 35 16.465 12.657 -12.031 283 HE3 LYS 35 HE3 LYS 35 15.497 14.056 -12.493 284 HZ1 LYS 35 HZ1 LYS 35 16.814 13.707 -9.854 285 HZ2 LYS 35 HZ2 LYS 35 15.969 15.074 -10.381 286 HZ3 LYS 35 HZ3 LYS 35 17.427 14.644 -11.122 287 H PHE 36 H PHE 36 9.815 10.888 -9.450 288 HA PHE 36 HA PHE 36 11.510 9.114 -7.976 289 HB2 PHE 36 HB2 PHE 36 8.964 10.101 -7.623 290 HB3 PHE 36 HB3 PHE 36 8.663 8.423 -8.063 291 HD1 PHE 36 HD2 PHE 36 10.412 10.611 -5.656 292 HD2 PHE 36 HD1 PHE 36 9.068 6.671 -6.544 293 HE1 PHE 36 HE2 PHE 36 10.926 9.919 -3.352 294 HE2 PHE 36 HE1 PHE 36 9.579 5.973 -4.241 295 HZ PHE 36 HZ PHE 36 10.511 7.598 -2.641 296 H GLU 37 H GLU 37 8.826 8.424 -10.227 297 HA GLU 37 HA GLU 37 10.393 6.388 -11.554 298 HB2 GLU 37 HB2 GLU 37 9.097 4.515 -10.994 299 HB3 GLU 37 HB3 GLU 37 9.344 5.341 -9.463 300 HG2 GLU 37 HG2 GLU 37 7.073 6.464 -9.977 301 HG3 GLU 37 HG3 GLU 37 6.867 5.135 -11.116 302 H ARG 38 H ARG 38 9.051 5.303 -13.304 303 HA ARG 38 HA ARG 38 6.760 6.823 -14.223 304 HB2 ARG 38 HB2 ARG 38 8.115 6.893 -16.545 305 HB3 ARG 38 HB3 ARG 38 8.104 8.224 -15.396 306 HG2 ARG 38 HG2 ARG 38 10.354 7.766 -16.177 307 HG3 ARG 38 HG3 ARG 38 10.209 7.432 -14.450 308 HD2 ARG 38 HD2 ARG 38 10.370 5.155 -14.740 309 HD3 ARG 38 HD3 ARG 38 9.766 5.218 -16.395 310 HE ARG 38 HE ARG 38 11.916 5.488 -17.126 311 HH11 ARG 38 HH11 ARG 38 11.782 6.178 -13.716 312 HH12 ARG 38 HH12 ARG 38 13.501 6.315 -13.544 313 HH21 ARG 38 HH21 ARG 38 14.180 5.665 -16.912 314 HH22 ARG 38 HH22 ARG 38 14.864 6.024 -15.362 315 H GLN 39 H GLN 39 5.481 5.707 -15.673 316 HA GLN 39 HA GLN 39 5.760 2.882 -15.690 317 HB2 GLN 39 HB2 GLN 39 3.763 4.830 -16.451 318 HB3 GLN 39 HB3 GLN 39 3.891 3.562 -17.663 319 HG2 GLN 39 HG2 GLN 39 3.683 2.846 -14.774 320 HG3 GLN 39 HG3 GLN 39 2.242 3.302 -15.680 321 HE21 GLN 39 HE21 GLN 39 1.897 0.967 -14.855 322 HE22 GLN 39 HE22 GLN 39 2.284 -0.276 -15.991 323 H GLN 40 H GLN 40 5.485 5.063 -18.499 324 HA GLN 40 HA GLN 40 7.701 3.693 -19.794 325 HB2 GLN 40 HB2 GLN 40 6.503 3.014 -21.721 326 HB3 GLN 40 HB3 GLN 40 5.561 2.452 -20.346 327 HG2 GLN 40 HG2 GLN 40 4.095 4.423 -20.593 328 HG3 GLN 40 HG3 GLN 40 5.004 4.881 -22.032 329 HE21 GLN 40 HE21 GLN 40 4.582 3.896 -23.933 330 HE22 GLN 40 HE22 GLN 40 3.367 2.688 -24.153 331 H ARG 41 H ARG 41 8.553 4.828 -21.608 332 HA ARG 41 HA ARG 41 8.097 7.691 -21.433 333 HB2 ARG 41 HB2 ARG 41 10.345 6.102 -21.878 334 HB3 ARG 41 HB3 ARG 41 10.028 6.857 -23.434 335 HG2 ARG 41 HG2 ARG 41 9.813 9.024 -21.942 336 HG3 ARG 41 HG3 ARG 41 10.840 8.082 -20.859 337 HD2 ARG 41 HD2 ARG 41 12.538 7.879 -22.500 338 HD3 ARG 41 HD3 ARG 41 11.476 8.485 -23.771 339 HE ARG 41 HE ARG 41 11.626 10.520 -21.947 340 HH11 ARG 41 HH11 ARG 41 13.917 8.689 -23.822 341 HH12 ARG 41 HH12 ARG 41 15.058 9.988 -23.938 342 HH21 ARG 41 HH21 ARG 41 13.119 12.238 -22.092 343 HH22 ARG 41 HH22 ARG 41 14.603 12.006 -22.952 Start of MODEL 8 1 H1 SER 1 H SER 1 14.191 -1.412 -2.325 2 HA SER 1 HA SER 1 12.283 -1.399 -4.276 3 HB2 SER 1 HB2 SER 1 13.295 -3.624 -2.521 4 HB3 SER 1 HB3 SER 1 12.085 -3.931 -3.767 5 HG SER 1 HG SER 1 14.722 -3.680 -4.046 6 H GLU 2 H GLU 2 11.805 -2.198 -0.855 7 HA GLU 2 HA GLU 2 9.004 -2.717 -1.170 8 HB2 GLU 2 HB2 GLU 2 10.681 -3.551 0.667 9 HB3 GLU 2 HB3 GLU 2 10.249 -2.048 1.469 10 HG2 GLU 2 HG2 GLU 2 8.001 -2.681 1.686 11 HG3 GLU 2 HG3 GLU 2 8.175 -3.998 0.528 12 H LYS 3 H LYS 3 7.454 -1.255 -1.357 13 HA LYS 3 HA LYS 3 6.356 0.741 -1.386 14 HB2 LYS 3 HB2 LYS 3 7.707 0.783 1.302 15 HB3 LYS 3 HB3 LYS 3 6.666 2.101 0.783 16 HG2 LYS 3 HG2 LYS 3 5.692 -0.726 0.717 17 HG3 LYS 3 HG3 LYS 3 5.668 0.209 2.214 18 HD2 LYS 3 HD2 LYS 3 4.125 1.732 1.386 19 HD3 LYS 3 HD3 LYS 3 4.501 1.350 -0.295 20 HE2 LYS 3 HE2 LYS 3 2.443 0.333 0.002 21 HE3 LYS 3 HE3 LYS 3 3.568 -0.994 0.287 22 HZ1 LYS 3 HZ1 LYS 3 3.278 -0.793 2.612 23 HZ2 LYS 3 HZ2 LYS 3 1.727 -0.788 1.938 24 HZ3 LYS 3 HZ3 LYS 3 2.425 0.660 2.465 25 HA PRO 4 HA PRO 4 10.109 3.004 -2.908 26 HB2 PRO 4 HB2 PRO 4 9.117 3.442 -5.397 27 HB3 PRO 4 HB3 PRO 4 9.984 1.967 -4.954 28 HG2 PRO 4 HG2 PRO 4 7.035 2.441 -5.162 29 HG3 PRO 4 HG3 PRO 4 7.987 1.050 -5.715 30 HD2 PRO 4 HD2 PRO 4 6.560 1.016 -3.414 31 HD3 PRO 4 HD3 PRO 4 8.076 0.114 -3.611 32 H GLN 5 H GLN 5 6.727 3.633 -2.663 33 HA GLN 5 HA GLN 5 6.772 6.355 -3.500 34 HB2 GLN 5 HB2 GLN 5 4.538 6.491 -2.576 35 HB3 GLN 5 HB3 GLN 5 4.715 4.981 -3.461 36 HG2 GLN 5 HG2 GLN 5 4.924 3.737 -1.434 37 HG3 GLN 5 HG3 GLN 5 4.994 5.216 -0.477 38 HE21 GLN 5 HE21 GLN 5 3.011 2.826 -1.781 39 HE22 GLN 5 HE22 GLN 5 1.482 3.538 -1.409 40 H GLN 6 H GLN 6 7.925 4.792 -0.748 41 HA GLN 6 HA GLN 6 7.404 6.559 1.325 42 HB2 GLN 6 HB2 GLN 6 9.639 4.668 0.726 43 HB3 GLN 6 HB3 GLN 6 9.805 5.777 2.081 44 HG2 GLN 6 HG2 GLN 6 7.344 4.112 1.831 45 HG3 GLN 6 HG3 GLN 6 8.833 3.393 2.442 46 HE21 GLN 6 HE21 GLN 6 6.101 5.212 3.191 47 HE22 GLN 6 HE22 GLN 6 6.540 5.679 4.795 48 H GLU 7 H GLU 7 9.643 6.824 -1.339 49 HA GLU 7 HA GLU 7 11.153 8.991 -0.252 50 HB2 GLU 7 HB2 GLU 7 11.170 7.386 -2.648 51 HB3 GLU 7 HB3 GLU 7 11.329 9.088 -3.058 52 HG2 GLU 7 HG2 GLU 7 13.104 8.985 -1.079 53 HG3 GLU 7 HG3 GLU 7 13.181 7.303 -1.601 54 H LEU 8 H LEU 8 8.317 8.712 -2.309 55 HA LEU 8 HA LEU 8 8.138 11.335 -3.228 56 HB2 LEU 8 HB2 LEU 8 6.748 9.404 -3.970 57 HB3 LEU 8 HB3 LEU 8 5.835 9.545 -2.470 58 HG LEU 8 HG LEU 8 5.159 11.838 -3.174 59 HD11 LEU 8 HD11 LEU 8 7.074 12.181 -4.727 60 HD12 LEU 8 HD12 LEU 8 5.502 12.566 -5.426 61 HD13 LEU 8 HD13 LEU 8 6.307 11.055 -5.846 62 HD21 LEU 8 HD21 LEU 8 3.633 11.017 -5.026 63 HD22 LEU 8 HD22 LEU 8 3.565 10.133 -3.501 64 HD23 LEU 8 HD23 LEU 8 4.449 9.460 -4.872 65 H GLU 9 H GLU 9 6.744 9.885 -0.293 66 HA GLU 9 HA GLU 9 5.400 12.079 0.706 67 HB2 GLU 9 HB2 GLU 9 6.926 9.972 2.248 68 HB3 GLU 9 HB3 GLU 9 5.750 11.075 2.949 69 HG2 GLU 9 HG2 GLU 9 4.965 9.323 0.666 70 HG3 GLU 9 HG3 GLU 9 5.050 8.663 2.298 71 H GLU 10 H GLU 10 8.830 11.400 0.714 72 HA GLU 10 HA GLU 10 9.519 13.462 2.576 73 HB2 GLU 10 HB2 GLU 10 11.297 12.102 0.546 74 HB3 GLU 10 HB3 GLU 10 11.817 12.991 1.971 75 HG2 GLU 10 HG2 GLU 10 10.604 11.288 3.355 76 HG3 GLU 10 HG3 GLU 10 10.374 10.357 1.876 77 H CYS 11 H CYS 11 9.487 13.170 -0.949 78 HA CYS 11 HA CYS 11 10.662 15.667 -1.515 79 HB2 CYS 11 HB2 CYS 11 10.149 13.618 -3.065 80 HB3 CYS 11 HB3 CYS 11 8.614 14.439 -3.327 81 H GLN 12 H GLN 12 7.250 14.676 -1.342 82 HA GLN 12 HA GLN 12 6.191 17.241 -1.883 83 HB2 GLN 12 HB2 GLN 12 4.897 14.974 -0.359 84 HB3 GLN 12 HB3 GLN 12 4.069 16.333 -1.109 85 HG2 GLN 12 HG2 GLN 12 5.301 15.413 -3.263 86 HG3 GLN 12 HG3 GLN 12 5.252 13.913 -2.340 87 HE21 GLN 12 HE21 GLN 12 3.767 15.279 -4.739 88 HE22 GLN 12 HE22 GLN 12 2.123 14.830 -4.452 89 H ASN 13 H ASN 13 6.899 15.529 1.135 90 HA ASN 13 HA ASN 13 5.791 17.324 2.940 91 HB2 ASN 13 HB2 ASN 13 6.612 15.168 3.669 92 HB3 ASN 13 HB3 ASN 13 8.259 15.598 3.216 93 HD21 ASN 13 HD21 ASN 13 8.724 14.996 5.436 94 HD22 ASN 13 HD22 ASN 13 8.511 16.170 6.686 95 H VAL 14 H VAL 14 8.968 17.357 1.389 96 HA VAL 14 HA VAL 14 9.962 19.605 2.815 97 HB VAL 14 HB VAL 14 10.819 18.508 0.134 98 HG11 VAL 14 HG11 VAL 14 12.985 19.723 1.378 99 HG12 VAL 14 HG12 VAL 14 12.078 20.340 -0.005 100 HG13 VAL 14 HG13 VAL 14 11.645 20.842 1.630 101 HG21 VAL 14 HG21 VAL 14 12.537 18.061 2.450 102 HG22 VAL 14 HG22 VAL 14 10.963 17.278 2.582 103 HG23 VAL 14 HG23 VAL 14 12.004 16.936 1.201 104 H CYS 15 H CYS 15 8.314 19.208 -0.286 105 HA CYS 15 HA CYS 15 8.595 21.800 -1.269 106 HB2 CYS 15 HB2 CYS 15 6.368 19.791 -1.627 107 HB3 CYS 15 HB3 CYS 15 6.462 21.302 -2.527 108 H ARG 16 H ARG 16 6.155 20.440 0.904 109 HA ARG 16 HA ARG 16 4.530 22.743 1.051 110 HB2 ARG 16 HB2 ARG 16 4.889 20.572 3.124 111 HB3 ARG 16 HB3 ARG 16 3.544 21.700 3.024 112 HG2 ARG 16 HG2 ARG 16 2.557 20.591 1.308 113 HG3 ARG 16 HG3 ARG 16 4.092 20.028 0.643 114 HD2 ARG 16 HD2 ARG 16 4.231 18.559 2.743 115 HD3 ARG 16 HD3 ARG 16 2.517 18.919 2.945 116 HE ARG 16 HE ARG 16 3.221 17.927 0.333 117 HH11 ARG 16 HH11 ARG 16 2.262 17.092 3.574 118 HH12 ARG 16 HH12 ARG 16 1.609 15.551 3.123 119 HH21 ARG 16 HH21 ARG 16 2.365 15.901 -0.273 120 HH22 ARG 16 HH22 ARG 16 1.669 14.875 0.935 121 H MET 17 H MET 17 7.585 22.012 2.389 122 HA MET 17 HA MET 17 7.340 23.969 4.534 123 HB2 MET 17 HB2 MET 17 9.350 21.900 3.770 124 HB3 MET 17 HB3 MET 17 9.889 23.272 4.729 125 HG2 MET 17 HG2 MET 17 7.738 22.590 6.150 126 HG3 MET 17 HG3 MET 17 8.127 21.018 5.458 127 HE1 MET 17 HE1 MET 17 9.741 23.849 8.103 128 HE2 MET 17 HE2 MET 17 8.190 23.013 8.170 129 HE3 MET 17 HE3 MET 17 9.518 22.493 9.209 130 H LYS 18 H LYS 18 7.612 24.321 1.398 131 HA LYS 18 HA LYS 18 9.938 26.014 1.205 132 HB2 LYS 18 HB2 LYS 18 7.674 25.470 -0.721 133 HB3 LYS 18 HB3 LYS 18 9.066 26.478 -1.094 134 HG2 LYS 18 HG2 LYS 18 9.118 23.542 -0.427 135 HG3 LYS 18 HG3 LYS 18 9.351 24.265 -2.021 136 HD2 LYS 18 HD2 LYS 18 11.285 25.558 -0.898 137 HD3 LYS 18 HD3 LYS 18 11.159 24.336 0.370 138 HE2 LYS 18 HE2 LYS 18 11.661 22.585 -1.146 139 HE3 LYS 18 HE3 LYS 18 11.457 23.641 -2.542 140 HZ1 LYS 18 HZ1 LYS 18 13.756 23.252 -0.861 141 HZ2 LYS 18 HZ2 LYS 18 13.390 24.883 -1.118 142 HZ3 LYS 18 HZ3 LYS 18 13.660 23.859 -2.437 143 H ARG 19 H ARG 19 10.010 28.067 1.811 144 HA ARG 19 HA ARG 19 7.529 29.495 2.355 145 HB2 ARG 19 HB2 ARG 19 9.828 29.375 3.759 146 HB3 ARG 19 HB3 ARG 19 10.142 30.816 2.803 147 HG2 ARG 19 HG2 ARG 19 8.168 31.883 3.663 148 HG3 ARG 19 HG3 ARG 19 7.699 30.409 4.513 149 HD2 ARG 19 HD2 ARG 19 8.762 32.135 5.964 150 HD3 ARG 19 HD3 ARG 19 9.580 30.573 5.978 151 HE ARG 19 HE ARG 19 11.419 31.561 5.028 152 HH11 ARG 19 HH11 ARG 19 8.694 33.714 4.784 153 HH12 ARG 19 HH12 ARG 19 9.638 35.056 4.227 154 HH21 ARG 19 HH21 ARG 19 12.673 33.320 4.296 155 HH22 ARG 19 HH22 ARG 19 11.901 34.830 3.949 156 H TRP 20 H TRP 20 7.849 29.099 -0.330 157 HA TRP 20 HA TRP 20 8.864 31.643 -1.386 158 HB2 TRP 20 HB2 TRP 20 8.149 29.056 -2.781 159 HB3 TRP 20 HB3 TRP 20 8.654 30.523 -3.614 160 HD1 TRP 20 HD1 TRP 20 10.083 27.399 -2.687 161 HE1 TRP 20 HE1 TRP 20 12.628 27.537 -2.334 162 HE3 TRP 20 HE3 TRP 20 10.571 32.472 -2.282 163 HZ2 TRP 20 HZ2 TRP 20 14.585 29.533 -1.936 164 HZ3 TRP 20 HZ3 TRP 20 12.814 33.415 -1.916 165 HH2 TRP 20 HH2 TRP 20 14.778 31.974 -1.746 166 H SER 21 H SER 21 6.125 29.450 -2.050 167 HA SER 21 HA SER 21 4.125 31.371 -1.624 168 HB2 SER 21 HB2 SER 21 3.445 31.783 -3.989 169 HB3 SER 21 HB3 SER 21 5.003 32.504 -3.582 170 HG SER 21 HG SER 21 4.908 31.316 -5.619 171 H THR 22 H THR 22 2.050 30.525 -1.876 172 HA THR 22 HA THR 22 1.713 27.806 -1.560 173 HB THR 22 HB THR 22 -0.043 29.358 -0.947 174 HG1 THR 22 HG1 THR 22 -1.721 28.082 -1.604 175 HG21 THR 22 HG21 THR 22 -0.675 29.737 -3.865 176 HG22 THR 22 HG22 THR 22 0.359 30.853 -2.973 177 HG23 THR 22 HG23 THR 22 -1.318 30.619 -2.480 178 H GLU 23 H GLU 23 1.673 29.705 -4.529 179 HA GLU 23 HA GLU 23 0.720 27.698 -6.254 180 HB2 GLU 23 HB2 GLU 23 2.439 30.128 -6.728 181 HB3 GLU 23 HB3 GLU 23 1.930 29.067 -8.034 182 HG2 GLU 23 HG2 GLU 23 -0.428 29.497 -7.384 183 HG3 GLU 23 HG3 GLU 23 0.158 30.675 -6.211 184 H MET 24 H MET 24 4.009 28.611 -5.298 185 HA MET 24 HA MET 24 5.345 26.784 -6.985 186 HB2 MET 24 HB2 MET 24 6.108 28.303 -4.515 187 HB3 MET 24 HB3 MET 24 7.197 27.085 -5.167 188 HG2 MET 24 HG2 MET 24 6.110 29.251 -6.917 189 HG3 MET 24 HG3 MET 24 7.493 29.545 -5.865 190 HE1 MET 24 HE1 MET 24 8.994 29.160 -9.504 191 HE2 MET 24 HE2 MET 24 7.302 29.602 -9.279 192 HE3 MET 24 HE3 MET 24 8.542 30.293 -8.230 193 H VAL 25 H VAL 25 3.983 26.508 -3.764 194 HA VAL 25 HA VAL 25 5.185 24.079 -3.011 195 HB VAL 25 HB VAL 25 2.464 25.112 -2.202 196 HG11 VAL 25 HG11 VAL 25 2.742 22.778 -1.639 197 HG12 VAL 25 HG12 VAL 25 4.310 23.113 -0.901 198 HG13 VAL 25 HG13 VAL 25 2.837 23.756 -0.174 199 HG21 VAL 25 HG21 VAL 25 3.478 26.692 -1.017 200 HG22 VAL 25 HG22 VAL 25 4.497 25.489 -0.227 201 HG23 VAL 25 HG23 VAL 25 5.014 26.222 -1.745 202 H HIS 26 H HIS 26 1.981 24.702 -4.444 203 HA HIS 26 HA HIS 26 1.203 22.026 -4.699 204 HB2 HIS 26 HB2 HIS 26 0.380 24.587 -5.998 205 HB3 HIS 26 HB3 HIS 26 -0.192 23.071 -6.689 206 HD1 HIS 26 HD1 HIS 26 -2.352 24.774 -5.651 207 HD2 HIS 26 HD2 HIS 26 -0.261 22.180 -3.170 208 HE1 HIS 26 HE1 HIS 26 -3.862 24.363 -3.683 209 H ARG 27 H ARG 27 2.755 24.184 -7.063 210 HA ARG 27 HA ARG 27 2.901 22.363 -9.177 211 HB2 ARG 27 HB2 ARG 27 3.320 24.675 -9.605 212 HB3 ARG 27 HB3 ARG 27 4.643 24.714 -8.447 213 HG2 ARG 27 HG2 ARG 27 5.933 23.208 -9.898 214 HG3 ARG 27 HG3 ARG 27 4.614 23.237 -11.070 215 HD2 ARG 27 HD2 ARG 27 5.785 25.814 -10.134 216 HD3 ARG 27 HD3 ARG 27 6.672 24.849 -11.313 217 HE ARG 27 HE ARG 27 3.919 25.283 -12.013 218 HH11 ARG 27 HH11 ARG 27 7.148 26.575 -12.158 219 HH12 ARG 27 HH12 ARG 27 6.834 27.553 -13.554 220 HH21 ARG 27 HH21 ARG 27 3.493 26.566 -13.850 221 HH22 ARG 27 HH22 ARG 27 4.755 27.547 -14.515 222 H CYS 28 H CYS 28 5.069 22.918 -6.452 223 HA CYS 28 HA CYS 28 7.211 21.323 -7.310 224 HB2 CYS 28 HB2 CYS 28 7.281 22.924 -5.397 225 HB3 CYS 28 HB3 CYS 28 6.314 21.790 -4.460 226 H GLU 29 H GLU 29 4.493 20.513 -5.152 227 HA GLU 29 HA GLU 29 5.143 17.840 -4.724 228 HB2 GLU 29 HB2 GLU 29 2.448 19.201 -4.805 229 HB3 GLU 29 HB3 GLU 29 2.688 17.546 -4.261 230 HG2 GLU 29 HG2 GLU 29 4.443 18.674 -2.664 231 HG3 GLU 29 HG3 GLU 29 3.454 20.103 -2.958 232 H LYS 30 H LYS 30 2.975 19.241 -7.175 233 HA LYS 30 HA LYS 30 2.211 16.894 -8.442 234 HB2 LYS 30 HB2 LYS 30 2.629 19.666 -9.565 235 HB3 LYS 30 HB3 LYS 30 1.892 18.354 -10.475 236 HG2 LYS 30 HG2 LYS 30 0.314 18.237 -8.367 237 HG3 LYS 30 HG3 LYS 30 0.823 19.918 -8.188 238 HD2 LYS 30 HD2 LYS 30 -0.125 18.921 -10.844 239 HD3 LYS 30 HD3 LYS 30 -1.298 19.340 -9.592 240 HE2 LYS 30 HE2 LYS 30 -0.561 21.581 -9.516 241 HE3 LYS 30 HE3 LYS 30 0.900 21.212 -10.430 242 HZ1 LYS 30 HZ1 LYS 30 -0.605 22.282 -11.890 243 HZ2 LYS 30 HZ2 LYS 30 -1.887 21.274 -11.440 244 HZ3 LYS 30 HZ3 LYS 30 -0.591 20.648 -12.330 245 H LYS 31 H LYS 31 5.151 18.781 -8.779 246 HA LYS 31 HA LYS 31 6.127 17.459 -11.095 247 HB2 LYS 31 HB2 LYS 31 7.334 19.219 -8.994 248 HB3 LYS 31 HB3 LYS 31 8.387 18.368 -10.116 249 HG2 LYS 31 HG2 LYS 31 6.114 20.061 -11.087 250 HG3 LYS 31 HG3 LYS 31 7.688 20.756 -10.695 251 HD2 LYS 31 HD2 LYS 31 7.498 18.394 -12.523 252 HD3 LYS 31 HD3 LYS 31 7.181 20.018 -13.137 253 HE2 LYS 31 HE2 LYS 31 9.406 20.693 -12.169 254 HE3 LYS 31 HE3 LYS 31 9.709 18.982 -11.868 255 HZ1 LYS 31 HZ1 LYS 31 10.704 19.517 -13.927 256 HZ2 LYS 31 HZ2 LYS 31 9.322 20.314 -14.488 257 HZ3 LYS 31 HZ3 LYS 31 9.310 18.633 -14.298 258 H CYS 32 H CYS 32 6.915 17.108 -7.639 259 HA CYS 32 HA CYS 32 8.737 15.011 -7.891 260 HB2 CYS 32 HB2 CYS 32 6.902 15.847 -5.654 261 HB3 CYS 32 HB3 CYS 32 7.987 14.470 -5.491 262 H GLU 33 H GLU 33 5.280 15.031 -8.084 263 HA GLU 33 HA GLU 33 4.917 12.230 -7.615 264 HB2 GLU 33 HB2 GLU 33 2.921 13.231 -7.217 265 HB3 GLU 33 HB3 GLU 33 3.222 14.525 -8.368 266 HG2 GLU 33 HG2 GLU 33 1.333 13.158 -9.046 267 HG3 GLU 33 HG3 GLU 33 2.653 13.046 -10.209 268 H GLU 34 H GLU 34 4.900 14.278 -10.524 269 HA GLU 34 HA GLU 34 4.552 12.128 -12.340 270 HB2 GLU 34 HB2 GLU 34 5.257 13.785 -14.063 271 HB3 GLU 34 HB3 GLU 34 3.959 14.355 -13.024 272 HG2 GLU 34 HG2 GLU 34 5.565 15.651 -11.721 273 HG3 GLU 34 HG3 GLU 34 6.870 15.076 -12.757 274 H LYS 35 H LYS 35 7.387 13.817 -11.088 275 HA LYS 35 HA LYS 35 9.279 12.548 -12.774 276 HB2 LYS 35 HB2 LYS 35 9.314 14.540 -10.790 277 HB3 LYS 35 HB3 LYS 35 10.394 13.277 -10.214 278 HG2 LYS 35 HG2 LYS 35 11.822 14.612 -11.419 279 HG3 LYS 35 HG3 LYS 35 11.382 13.388 -12.613 280 HD2 LYS 35 HD2 LYS 35 9.813 15.930 -12.392 281 HD3 LYS 35 HD3 LYS 35 11.335 15.892 -13.287 282 HE2 LYS 35 HE2 LYS 35 10.388 13.937 -14.571 283 HE3 LYS 35 HE3 LYS 35 8.838 14.292 -13.810 284 HZ1 LYS 35 HZ1 LYS 35 10.226 15.702 -15.926 285 HZ2 LYS 35 HZ2 LYS 35 9.513 16.694 -14.755 286 HZ3 LYS 35 HZ3 LYS 35 8.568 15.581 -15.610 287 H PHE 36 H PHE 36 7.492 11.448 -10.103 288 HA PHE 36 HA PHE 36 9.372 9.523 -9.127 289 HB2 PHE 36 HB2 PHE 36 7.017 10.582 -8.176 290 HB3 PHE 36 HB3 PHE 36 6.541 8.949 -8.630 291 HD1 PHE 36 HD1 PHE 36 8.893 10.904 -6.558 292 HD2 PHE 36 HD2 PHE 36 7.157 7.094 -7.323 293 HE1 PHE 36 HE1 PHE 36 9.854 10.049 -4.460 294 HE2 PHE 36 HE2 PHE 36 8.115 6.233 -5.227 295 HZ PHE 36 HZ PHE 36 9.465 7.711 -3.792 296 H GLU 37 H GLU 37 6.978 9.603 -11.637 297 HA GLU 37 HA GLU 37 6.596 6.823 -11.956 298 HB2 GLU 37 HB2 GLU 37 6.332 9.087 -13.941 299 HB3 GLU 37 HB3 GLU 37 5.806 7.437 -14.246 300 HG2 GLU 37 HG2 GLU 37 4.715 9.385 -12.239 301 HG3 GLU 37 HG3 GLU 37 3.890 8.664 -13.620 302 H ARG 38 H ARG 38 8.273 5.489 -12.231 303 HA ARG 38 HA ARG 38 10.647 6.256 -13.645 304 HB2 ARG 38 HB2 ARG 38 9.697 3.698 -12.378 305 HB3 ARG 38 HB3 ARG 38 11.172 3.750 -13.334 306 HG2 ARG 38 HG2 ARG 38 10.797 5.706 -11.116 307 HG3 ARG 38 HG3 ARG 38 11.260 4.043 -10.748 308 HD2 ARG 38 HD2 ARG 38 12.731 5.709 -12.770 309 HD3 ARG 38 HD3 ARG 38 13.138 5.740 -11.055 310 HE ARG 38 HE ARG 38 13.057 3.080 -12.058 311 HH11 ARG 38 HH11 ARG 38 15.011 5.960 -11.960 312 HH12 ARG 38 HH12 ARG 38 16.508 5.108 -12.153 313 HH21 ARG 38 HH21 ARG 38 15.021 1.948 -12.314 314 HH22 ARG 38 HH22 ARG 38 16.512 2.826 -12.356 315 H GLN 39 H GLN 39 11.122 5.979 -15.732 316 HA GLN 39 HA GLN 39 9.128 4.716 -17.444 317 HB2 GLN 39 HB2 GLN 39 10.627 7.012 -17.714 318 HB3 GLN 39 HB3 GLN 39 11.476 5.875 -18.752 319 HG2 GLN 39 HG2 GLN 39 9.326 5.390 -19.887 320 HG3 GLN 39 HG3 GLN 39 8.576 6.655 -18.916 321 HE21 GLN 39 HE21 GLN 39 8.786 6.524 -21.777 322 HE22 GLN 39 HE22 GLN 39 9.682 7.912 -22.281 323 H GLN 40 H GLN 40 9.432 2.861 -18.536 324 HA GLN 40 HA GLN 40 11.681 1.218 -17.843 325 HB2 GLN 40 HB2 GLN 40 10.554 -0.542 -18.957 326 HB3 GLN 40 HB3 GLN 40 9.300 0.411 -18.173 327 HG2 GLN 40 HG2 GLN 40 9.148 1.617 -20.465 328 HG3 GLN 40 HG3 GLN 40 9.961 0.175 -21.072 329 HE21 GLN 40 HE21 GLN 40 7.723 0.391 -22.218 330 HE22 GLN 40 HE22 GLN 40 6.468 -0.575 -21.527 331 H ARG 41 H ARG 41 13.125 0.212 -19.348 332 HA ARG 41 HA ARG 41 14.633 0.217 -21.051 333 HB2 ARG 41 HB2 ARG 41 12.158 0.478 -22.262 334 HB3 ARG 41 HB3 ARG 41 13.088 1.798 -22.959 335 HG2 ARG 41 HG2 ARG 41 13.471 0.059 -24.429 336 HG3 ARG 41 HG3 ARG 41 14.892 0.006 -23.383 337 HD2 ARG 41 HD2 ARG 41 12.466 -1.638 -22.764 338 HD3 ARG 41 HD3 ARG 41 13.657 -2.197 -23.938 339 HE ARG 41 HE ARG 41 13.939 -2.138 -21.088 340 HH11 ARG 41 HH11 ARG 41 15.658 -2.023 -24.113 341 HH12 ARG 41 HH12 ARG 41 17.138 -2.625 -23.445 342 HH21 ARG 41 HH21 ARG 41 15.882 -2.932 -20.196 343 HH22 ARG 41 HH22 ARG 41 17.265 -3.142 -21.216 Start of MODEL 9 1 H1 SER 1 H SER 1 8.456 -5.229 4.364 2 HA SER 1 HA SER 1 6.140 -3.817 4.666 3 HB2 SER 1 HB2 SER 1 8.789 -3.541 6.076 4 HB3 SER 1 HB3 SER 1 7.382 -2.594 6.557 5 HG SER 1 HG SER 1 6.310 -4.459 7.075 6 H GLU 2 H GLU 2 9.333 -2.290 4.196 7 HA GLU 2 HA GLU 2 8.187 0.274 3.670 8 HB2 GLU 2 HB2 GLU 2 10.567 -0.380 4.571 9 HB3 GLU 2 HB3 GLU 2 10.979 -0.438 2.863 10 HG2 GLU 2 HG2 GLU 2 11.555 1.715 3.564 11 HG3 GLU 2 HG3 GLU 2 10.031 1.904 2.699 12 H LYS 3 H LYS 3 7.068 0.657 1.877 13 HA LYS 3 HA LYS 3 7.539 -0.795 -0.562 14 HB2 LYS 3 HB2 LYS 3 5.557 1.188 0.414 15 HB3 LYS 3 HB3 LYS 3 5.819 1.125 -1.324 16 HG2 LYS 3 HG2 LYS 3 4.133 -0.386 -1.134 17 HG3 LYS 3 HG3 LYS 3 5.515 -1.465 -0.927 18 HD2 LYS 3 HD2 LYS 3 5.181 -1.661 1.359 19 HD3 LYS 3 HD3 LYS 3 4.263 -0.156 1.455 20 HE2 LYS 3 HE2 LYS 3 2.585 -1.455 -0.090 21 HE3 LYS 3 HE3 LYS 3 3.384 -2.872 0.589 22 HZ1 LYS 3 HZ1 LYS 3 2.182 -2.647 2.416 23 HZ2 LYS 3 HZ2 LYS 3 1.380 -1.318 1.743 24 HZ3 LYS 3 HZ3 LYS 3 2.777 -1.083 2.667 25 HA PRO 4 HA PRO 4 10.231 1.950 -2.675 26 HB2 PRO 4 HB2 PRO 4 9.232 1.929 -5.199 27 HB3 PRO 4 HB3 PRO 4 10.083 0.551 -4.491 28 HG2 PRO 4 HG2 PRO 4 7.140 1.017 -4.776 29 HG3 PRO 4 HG3 PRO 4 8.071 -0.465 -5.062 30 HD2 PRO 4 HD2 PRO 4 6.655 -0.050 -2.791 31 HD3 PRO 4 HD3 PRO 4 8.159 -0.992 -2.820 32 H GLN 5 H GLN 5 6.885 2.677 -2.456 33 HA GLN 5 HA GLN 5 7.217 5.340 -3.610 34 HB2 GLN 5 HB2 GLN 5 4.817 5.545 -3.439 35 HB3 GLN 5 HB3 GLN 5 5.209 3.999 -4.181 36 HG2 GLN 5 HG2 GLN 5 4.828 2.873 -2.052 37 HG3 GLN 5 HG3 GLN 5 4.447 4.421 -1.300 38 HE21 GLN 5 HE21 GLN 5 2.454 5.288 -1.554 39 HE22 GLN 5 HE22 GLN 5 1.164 4.515 -2.404 40 H GLN 6 H GLN 6 8.405 4.402 -1.006 41 HA GLN 6 HA GLN 6 7.005 5.964 0.988 42 HB2 GLN 6 HB2 GLN 6 9.360 4.136 0.976 43 HB3 GLN 6 HB3 GLN 6 9.228 5.311 2.278 44 HG2 GLN 6 HG2 GLN 6 7.019 3.406 1.565 45 HG3 GLN 6 HG3 GLN 6 8.279 3.029 2.739 46 HE21 GLN 6 HE21 GLN 6 8.608 5.122 4.239 47 HE22 GLN 6 HE22 GLN 6 7.146 5.636 5.001 48 H GLU 7 H GLU 7 9.722 6.304 -1.152 49 HA GLU 7 HA GLU 7 10.954 8.496 0.180 50 HB2 GLU 7 HB2 GLU 7 11.146 7.911 -2.770 51 HB3 GLU 7 HB3 GLU 7 12.333 8.701 -1.742 52 HG2 GLU 7 HG2 GLU 7 11.573 5.795 -1.767 53 HG3 GLU 7 HG3 GLU 7 13.119 6.512 -2.214 54 H LEU 8 H LEU 8 8.470 8.199 -2.285 55 HA LEU 8 HA LEU 8 8.341 10.785 -3.243 56 HB2 LEU 8 HB2 LEU 8 7.012 8.837 -4.042 57 HB3 LEU 8 HB3 LEU 8 5.975 9.022 -2.629 58 HG LEU 8 HG LEU 8 5.354 11.285 -3.452 59 HD11 LEU 8 HD11 LEU 8 6.724 10.464 -6.003 60 HD12 LEU 8 HD12 LEU 8 7.423 11.579 -4.830 61 HD13 LEU 8 HD13 LEU 8 5.918 11.993 -5.651 62 HD21 LEU 8 HD21 LEU 8 3.964 10.447 -5.355 63 HD22 LEU 8 HD22 LEU 8 3.849 9.484 -3.882 64 HD23 LEU 8 HD23 LEU 8 4.827 8.914 -5.235 65 H GLU 9 H GLU 9 6.664 9.438 -0.406 66 HA GLU 9 HA GLU 9 5.266 11.675 0.399 67 HB2 GLU 9 HB2 GLU 9 6.612 9.606 2.144 68 HB3 GLU 9 HB3 GLU 9 5.381 10.736 2.690 69 HG2 GLU 9 HG2 GLU 9 3.842 9.741 0.984 70 HG3 GLU 9 HG3 GLU 9 5.067 8.506 0.700 71 H GLU 10 H GLU 10 8.669 10.949 0.769 72 HA GLU 10 HA GLU 10 9.207 13.064 2.619 73 HB2 GLU 10 HB2 GLU 10 11.179 11.666 0.809 74 HB3 GLU 10 HB3 GLU 10 11.529 12.528 2.301 75 HG2 GLU 10 HG2 GLU 10 10.017 10.790 3.427 76 HG3 GLU 10 HG3 GLU 10 10.208 9.867 1.937 77 H CYS 11 H CYS 11 9.480 12.666 -0.882 78 HA CYS 11 HA CYS 11 10.759 15.118 -1.419 79 HB2 CYS 11 HB2 CYS 11 10.326 13.035 -2.947 80 HB3 CYS 11 HB3 CYS 11 8.838 13.882 -3.360 81 H GLN 12 H GLN 12 7.320 14.211 -1.526 82 HA GLN 12 HA GLN 12 6.381 16.787 -2.213 83 HB2 GLN 12 HB2 GLN 12 4.897 14.587 -0.765 84 HB3 GLN 12 HB3 GLN 12 4.174 15.948 -1.614 85 HG2 GLN 12 HG2 GLN 12 5.565 14.954 -3.632 86 HG3 GLN 12 HG3 GLN 12 5.407 13.475 -2.686 87 HE21 GLN 12 HE21 GLN 12 4.065 15.173 -5.110 88 HE22 GLN 12 HE22 GLN 12 2.431 14.621 -5.003 89 H ASN 13 H ASN 13 6.766 15.128 0.892 90 HA ASN 13 HA ASN 13 5.547 16.985 2.554 91 HB2 ASN 13 HB2 ASN 13 6.199 14.900 3.491 92 HB3 ASN 13 HB3 ASN 13 7.880 15.130 3.018 93 HD21 ASN 13 HD21 ASN 13 9.108 15.461 4.711 94 HD22 ASN 13 HD22 ASN 13 8.702 16.401 6.102 95 H VAL 14 H VAL 14 8.848 16.926 1.288 96 HA VAL 14 HA VAL 14 9.754 19.190 2.748 97 HB VAL 14 HB VAL 14 10.828 18.005 0.184 98 HG11 VAL 14 HG11 VAL 14 11.688 20.196 0.330 99 HG12 VAL 14 HG12 VAL 14 11.938 20.066 2.072 100 HG13 VAL 14 HG13 VAL 14 12.955 19.145 0.963 101 HG21 VAL 14 HG21 VAL 14 11.804 16.414 1.401 102 HG22 VAL 14 HG22 VAL 14 12.382 17.579 2.591 103 HG23 VAL 14 HG23 VAL 14 10.758 16.907 2.733 104 H CYS 15 H CYS 15 8.387 18.744 -0.480 105 HA CYS 15 HA CYS 15 8.808 21.302 -1.498 106 HB2 CYS 15 HB2 CYS 15 6.572 19.332 -2.001 107 HB3 CYS 15 HB3 CYS 15 6.786 20.813 -2.929 108 H ARG 16 H ARG 16 6.167 20.052 0.497 109 HA ARG 16 HA ARG 16 4.581 22.388 0.437 110 HB2 ARG 16 HB2 ARG 16 4.714 20.276 2.596 111 HB3 ARG 16 HB3 ARG 16 3.404 21.420 2.340 112 HG2 ARG 16 HG2 ARG 16 2.559 20.275 0.571 113 HG3 ARG 16 HG3 ARG 16 4.136 19.658 0.075 114 HD2 ARG 16 HD2 ARG 16 4.042 18.264 2.229 115 HD3 ARG 16 HD3 ARG 16 2.325 18.663 2.251 116 HE ARG 16 HE ARG 16 3.257 17.563 -0.244 117 HH11 ARG 16 HH11 ARG 16 1.967 16.866 2.914 118 HH12 ARG 16 HH12 ARG 16 1.326 15.323 2.455 119 HH21 ARG 16 HH21 ARG 16 2.418 15.534 -0.860 120 HH22 ARG 16 HH22 ARG 16 1.584 14.566 0.308 121 H MET 17 H MET 17 7.467 21.591 2.114 122 HA MET 17 HA MET 17 7.092 23.590 4.183 123 HB2 MET 17 HB2 MET 17 9.171 21.544 3.549 124 HB3 MET 17 HB3 MET 17 9.624 22.916 4.551 125 HG2 MET 17 HG2 MET 17 7.433 22.232 5.854 126 HG3 MET 17 HG3 MET 17 7.785 20.665 5.130 127 HE1 MET 17 HE1 MET 17 8.233 23.167 7.560 128 HE2 MET 17 HE2 MET 17 8.399 21.901 8.776 129 HE3 MET 17 HE3 MET 17 9.768 22.949 8.401 130 H LYS 18 H LYS 18 7.720 23.814 1.024 131 HA LYS 18 HA LYS 18 9.987 25.563 0.997 132 HB2 LYS 18 HB2 LYS 18 7.858 25.003 -1.074 133 HB3 LYS 18 HB3 LYS 18 9.270 26.012 -1.359 134 HG2 LYS 18 HG2 LYS 18 9.284 23.081 -0.670 135 HG3 LYS 18 HG3 LYS 18 9.618 23.793 -2.250 136 HD2 LYS 18 HD2 LYS 18 11.422 25.135 -0.832 137 HD3 LYS 18 HD3 LYS 18 11.300 23.706 0.197 138 HE2 LYS 18 HE2 LYS 18 13.035 23.226 -1.310 139 HE3 LYS 18 HE3 LYS 18 11.638 22.345 -1.926 140 HZ1 LYS 18 HZ1 LYS 18 13.132 23.828 -3.480 141 HZ2 LYS 18 HZ2 LYS 18 12.094 25.049 -2.938 142 HZ3 LYS 18 HZ3 LYS 18 11.464 23.693 -3.728 143 H ARG 19 H ARG 19 10.013 27.614 1.611 144 HA ARG 19 HA ARG 19 7.500 29.046 1.963 145 HB2 ARG 19 HB2 ARG 19 9.683 28.926 3.539 146 HB3 ARG 19 HB3 ARG 19 10.077 30.362 2.603 147 HG2 ARG 19 HG2 ARG 19 7.751 31.199 3.230 148 HG3 ARG 19 HG3 ARG 19 7.743 29.901 4.425 149 HD2 ARG 19 HD2 ARG 19 9.900 31.996 4.221 150 HD3 ARG 19 HD3 ARG 19 8.506 32.119 5.293 151 HE ARG 19 HE ARG 19 9.725 29.677 5.808 152 HH11 ARG 19 HH11 ARG 19 10.492 33.065 6.045 153 HH12 ARG 19 HH12 ARG 19 11.573 32.860 7.383 154 HH21 ARG 19 HH21 ARG 19 11.146 29.395 7.570 155 HH22 ARG 19 HH22 ARG 19 11.945 30.772 8.249 156 H TRP 20 H TRP 20 8.025 28.641 -0.690 157 HA TRP 20 HA TRP 20 9.115 31.185 -1.671 158 HB2 TRP 20 HB2 TRP 20 8.788 28.467 -2.865 159 HB3 TRP 20 HB3 TRP 20 8.754 29.862 -3.940 160 HD1 TRP 20 HD1 TRP 20 11.086 28.766 -1.018 161 HE1 TRP 20 HE1 TRP 20 13.518 29.122 -1.784 162 HE3 TRP 20 HE3 TRP 20 10.200 30.593 -5.710 163 HZ2 TRP 20 HZ2 TRP 20 14.880 30.054 -4.074 164 HZ3 TRP 20 HZ3 TRP 20 12.122 31.193 -7.124 165 HH2 TRP 20 HH2 TRP 20 14.412 30.929 -6.321 166 H SER 21 H SER 21 6.459 28.982 -2.592 167 HA SER 21 HA SER 21 4.411 30.880 -2.304 168 HB2 SER 21 HB2 SER 21 3.933 31.326 -4.711 169 HB3 SER 21 HB3 SER 21 5.443 32.053 -4.160 170 HG SER 21 HG SER 21 5.879 31.048 -6.080 171 H THR 22 H THR 22 2.365 30.039 -2.804 172 HA THR 22 HA THR 22 2.007 27.320 -2.524 173 HB THR 22 HB THR 22 0.174 28.822 -2.102 174 HG1 THR 22 HG1 THR 22 -0.525 26.782 -2.696 175 HG21 THR 22 HG21 THR 22 -0.969 30.055 -3.827 176 HG22 THR 22 HG22 THR 22 0.061 29.348 -5.072 177 HG23 THR 22 HG23 THR 22 0.746 30.461 -3.888 178 H GLU 23 H GLU 23 2.207 29.220 -5.496 179 HA GLU 23 HA GLU 23 1.497 27.190 -7.299 180 HB2 GLU 23 HB2 GLU 23 1.557 29.486 -8.022 181 HB3 GLU 23 HB3 GLU 23 3.270 29.609 -7.647 182 HG2 GLU 23 HG2 GLU 23 3.827 28.105 -9.430 183 HG3 GLU 23 HG3 GLU 23 2.122 27.788 -9.747 184 H MET 24 H MET 24 4.651 28.168 -6.013 185 HA MET 24 HA MET 24 6.190 26.366 -7.547 186 HB2 MET 24 HB2 MET 24 6.687 27.826 -4.964 187 HB3 MET 24 HB3 MET 24 7.876 26.714 -5.630 188 HG2 MET 24 HG2 MET 24 6.770 28.922 -7.310 189 HG3 MET 24 HG3 MET 24 8.055 29.239 -6.145 190 HE1 MET 24 HE1 MET 24 7.177 28.764 -9.443 191 HE2 MET 24 HE2 MET 24 8.528 28.034 -10.311 192 HE3 MET 24 HE3 MET 24 7.302 27.009 -9.565 193 H VAL 25 H VAL 25 4.510 26.065 -4.482 194 HA VAL 25 HA VAL 25 5.676 23.632 -3.645 195 HB VAL 25 HB VAL 25 2.929 24.717 -3.004 196 HG11 VAL 25 HG11 VAL 25 3.028 23.285 -1.039 197 HG12 VAL 25 HG12 VAL 25 3.164 22.325 -2.514 198 HG13 VAL 25 HG13 VAL 25 4.600 22.670 -1.549 199 HG21 VAL 25 HG21 VAL 25 3.874 26.168 -1.601 200 HG22 VAL 25 HG22 VAL 25 4.945 24.936 -0.935 201 HG23 VAL 25 HG23 VAL 25 5.407 25.808 -2.396 202 H HIS 26 H HIS 26 2.660 24.326 -5.399 203 HA HIS 26 HA HIS 26 1.791 21.676 -5.666 204 HB2 HIS 26 HB2 HIS 26 0.794 24.132 -6.368 205 HB3 HIS 26 HB3 HIS 26 1.164 23.429 -7.940 206 HD1 HIS 26 HD1 HIS 26 -1.098 22.789 -8.772 207 HD2 HIS 26 HD2 HIS 26 -0.427 21.498 -4.880 208 HE1 HIS 26 HE1 HIS 26 -3.076 21.349 -8.191 209 H ARG 27 H ARG 27 3.591 23.707 -7.978 210 HA ARG 27 HA ARG 27 3.918 21.810 -9.981 211 HB2 ARG 27 HB2 ARG 27 5.361 24.280 -9.167 212 HB3 ARG 27 HB3 ARG 27 6.181 23.200 -10.287 213 HG2 ARG 27 HG2 ARG 27 5.110 24.494 -11.798 214 HG3 ARG 27 HG3 ARG 27 3.821 23.323 -11.509 215 HD2 ARG 27 HD2 ARG 27 2.771 24.812 -9.923 216 HD3 ARG 27 HD3 ARG 27 4.107 25.955 -10.065 217 HE ARG 27 HE ARG 27 1.867 25.734 -11.798 218 HH11 ARG 27 HH11 ARG 27 5.274 26.447 -11.751 219 HH12 ARG 27 HH12 ARG 27 5.216 27.453 -13.161 220 HH21 ARG 27 HH21 ARG 27 1.777 27.056 -13.654 221 HH22 ARG 27 HH22 ARG 27 3.226 27.800 -14.242 222 H CYS 28 H CYS 28 5.785 22.352 -7.046 223 HA CYS 28 HA CYS 28 7.953 20.665 -7.631 224 HB2 CYS 28 HB2 CYS 28 7.844 22.322 -5.752 225 HB3 CYS 28 HB3 CYS 28 6.779 21.209 -4.899 226 H GLU 29 H GLU 29 5.053 19.999 -5.661 227 HA GLU 29 HA GLU 29 5.540 17.318 -5.154 228 HB2 GLU 29 HB2 GLU 29 2.942 18.817 -5.478 229 HB3 GLU 29 HB3 GLU 29 3.015 17.137 -4.964 230 HG2 GLU 29 HG2 GLU 29 4.714 18.168 -3.198 231 HG3 GLU 29 HG3 GLU 29 3.740 19.604 -3.505 232 H LYS 30 H LYS 30 3.643 18.732 -7.815 233 HA LYS 30 HA LYS 30 2.921 16.382 -9.100 234 HB2 LYS 30 HB2 LYS 30 3.468 19.151 -10.154 235 HB3 LYS 30 HB3 LYS 30 2.918 17.849 -11.201 236 HG2 LYS 30 HG2 LYS 30 1.028 17.618 -9.400 237 HG3 LYS 30 HG3 LYS 30 1.465 19.291 -9.042 238 HD2 LYS 30 HD2 LYS 30 0.879 18.355 -11.838 239 HD3 LYS 30 HD3 LYS 30 -0.395 18.907 -10.748 240 HE2 LYS 30 HE2 LYS 30 0.847 21.043 -10.476 241 HE3 LYS 30 HE3 LYS 30 2.000 20.483 -11.685 242 HZ1 LYS 30 HZ1 LYS 30 -0.759 20.335 -12.515 243 HZ2 LYS 30 HZ2 LYS 30 0.591 20.928 -13.345 244 HZ3 LYS 30 HZ3 LYS 30 -0.212 21.909 -12.225 245 H LYS 31 H LYS 31 5.937 18.174 -9.213 246 HA LYS 31 HA LYS 31 7.071 16.777 -11.409 247 HB2 LYS 31 HB2 LYS 31 8.029 18.661 -9.332 248 HB3 LYS 31 HB3 LYS 31 9.249 17.624 -10.061 249 HG2 LYS 31 HG2 LYS 31 8.659 18.437 -12.268 250 HG3 LYS 31 HG3 LYS 31 7.374 19.430 -11.577 251 HD2 LYS 31 HD2 LYS 31 9.080 20.967 -11.798 252 HD3 LYS 31 HD3 LYS 31 9.306 20.426 -10.133 253 HE2 LYS 31 HE2 LYS 31 11.445 20.483 -11.221 254 HE3 LYS 31 HE3 LYS 31 10.996 18.800 -10.950 255 HZ1 LYS 31 HZ1 LYS 31 11.656 20.045 -13.365 256 HZ2 LYS 31 HZ2 LYS 31 10.032 19.580 -13.460 257 HZ3 LYS 31 HZ3 LYS 31 11.222 18.431 -13.106 258 H CYS 32 H CYS 32 7.554 16.477 -7.891 259 HA CYS 32 HA CYS 32 9.319 14.321 -7.945 260 HB2 CYS 32 HB2 CYS 32 7.322 15.253 -5.892 261 HB3 CYS 32 HB3 CYS 32 8.348 13.851 -5.611 262 H GLU 33 H GLU 33 5.895 14.439 -8.442 263 HA GLU 33 HA GLU 33 5.406 11.659 -7.957 264 HB2 GLU 33 HB2 GLU 33 3.414 12.724 -7.750 265 HB3 GLU 33 HB3 GLU 33 3.853 13.988 -8.890 266 HG2 GLU 33 HG2 GLU 33 1.989 12.665 -9.708 267 HG3 GLU 33 HG3 GLU 33 3.399 12.493 -10.751 268 H GLU 34 H GLU 34 5.706 13.651 -10.890 269 HA GLU 34 HA GLU 34 5.451 11.474 -12.691 270 HB2 GLU 34 HB2 GLU 34 6.342 13.078 -14.378 271 HB3 GLU 34 HB3 GLU 34 4.976 13.701 -13.463 272 HG2 GLU 34 HG2 GLU 34 6.501 14.981 -12.050 273 HG3 GLU 34 HG3 GLU 34 7.871 14.355 -12.965 274 H LYS 35 H LYS 35 8.215 13.124 -11.244 275 HA LYS 35 HA LYS 35 10.211 11.784 -12.737 276 HB2 LYS 35 HB2 LYS 35 10.124 13.795 -10.775 277 HB3 LYS 35 HB3 LYS 35 11.116 12.511 -10.095 278 HG2 LYS 35 HG2 LYS 35 12.568 14.006 -11.220 279 HG3 LYS 35 HG3 LYS 35 12.457 12.548 -12.208 280 HD2 LYS 35 HD2 LYS 35 10.869 13.636 -13.684 281 HD3 LYS 35 HD3 LYS 35 10.875 15.077 -12.665 282 HE2 LYS 35 HE2 LYS 35 12.358 15.710 -14.293 283 HE3 LYS 35 HE3 LYS 35 13.460 14.995 -13.118 284 HZ1 LYS 35 HZ1 LYS 35 13.490 14.343 -15.668 285 HZ2 LYS 35 HZ2 LYS 35 12.345 13.215 -15.141 286 HZ3 LYS 35 HZ3 LYS 35 13.890 13.237 -14.452 287 H PHE 36 H PHE 36 8.178 10.763 -10.209 288 HA PHE 36 HA PHE 36 9.919 8.795 -9.073 289 HB2 PHE 36 HB2 PHE 36 7.529 9.935 -8.318 290 HB3 PHE 36 HB3 PHE 36 7.043 8.309 -8.788 291 HD1 PHE 36 HD2 PHE 36 9.170 10.263 -6.508 292 HD2 PHE 36 HD1 PHE 36 7.617 6.419 -7.471 293 HE1 PHE 36 HE2 PHE 36 9.942 9.410 -4.333 294 HE2 PHE 36 HE1 PHE 36 8.386 5.560 -5.298 295 HZ PHE 36 HZ PHE 36 9.552 7.055 -3.726 296 H GLU 37 H GLU 37 7.670 8.904 -11.727 297 HA GLU 37 HA GLU 37 7.275 6.127 -12.053 298 HB2 GLU 37 HB2 GLU 37 6.943 8.531 -13.797 299 HB3 GLU 37 HB3 GLU 37 6.879 6.937 -14.535 300 HG2 GLU 37 HG2 GLU 37 5.174 7.704 -12.187 301 HG3 GLU 37 HG3 GLU 37 4.675 7.959 -13.858 302 H ARG 38 H ARG 38 8.743 4.645 -12.525 303 HA ARG 38 HA ARG 38 11.329 5.344 -13.547 304 HB2 ARG 38 HB2 ARG 38 9.990 2.848 -12.625 305 HB3 ARG 38 HB3 ARG 38 11.399 2.686 -13.664 306 HG2 ARG 38 HG2 ARG 38 12.419 2.651 -11.637 307 HG3 ARG 38 HG3 ARG 38 12.431 4.391 -11.932 308 HD2 ARG 38 HD2 ARG 38 10.200 4.442 -10.695 309 HD3 ARG 38 HD3 ARG 38 10.586 2.803 -10.171 310 HE ARG 38 HE ARG 38 12.748 4.537 -9.621 311 HH11 ARG 38 HH11 ARG 38 9.532 3.753 -8.540 312 HH12 ARG 38 HH12 ARG 38 9.819 4.255 -6.906 313 HH21 ARG 38 HH21 ARG 38 13.137 5.201 -7.473 314 HH22 ARG 38 HH22 ARG 38 11.869 5.079 -6.301 315 H GLN 39 H GLN 39 12.206 4.914 -15.544 316 HA GLN 39 HA GLN 39 12.263 4.656 -17.803 317 HB2 GLN 39 HB2 GLN 39 11.161 2.342 -16.803 318 HB3 GLN 39 HB3 GLN 39 9.977 2.835 -18.007 319 HG2 GLN 39 HG2 GLN 39 11.937 3.061 -19.610 320 HG3 GLN 39 HG3 GLN 39 12.878 2.188 -18.401 321 HE21 GLN 39 HE21 GLN 39 13.146 0.600 -20.092 322 HE22 GLN 39 HE22 GLN 39 11.912 -0.580 -20.355 323 H GLN 40 H GLN 40 10.600 6.722 -16.677 324 HA GLN 40 HA GLN 40 8.158 6.868 -18.161 325 HB2 GLN 40 HB2 GLN 40 7.813 8.939 -17.129 326 HB3 GLN 40 HB3 GLN 40 8.729 8.027 -15.936 327 HG2 GLN 40 HG2 GLN 40 9.838 10.093 -17.824 328 HG3 GLN 40 HG3 GLN 40 9.534 10.308 -16.101 329 HE21 GLN 40 HE21 GLN 40 10.787 9.044 -14.612 330 HE22 GLN 40 HE22 GLN 40 12.375 8.522 -15.048 331 H ARG 41 H ARG 41 7.805 9.032 -19.447 332 HA ARG 41 HA ARG 41 10.062 9.853 -21.046 333 HB2 ARG 41 HB2 ARG 41 8.651 7.629 -21.918 334 HB3 ARG 41 HB3 ARG 41 7.947 8.953 -22.837 335 HG2 ARG 41 HG2 ARG 41 10.890 8.337 -22.689 336 HG3 ARG 41 HG3 ARG 41 9.814 7.850 -24.000 337 HD2 ARG 41 HD2 ARG 41 9.265 10.460 -23.963 338 HD3 ARG 41 HD3 ARG 41 10.907 10.520 -23.322 339 HE ARG 41 HE ARG 41 10.900 8.894 -25.601 340 HH11 ARG 41 HH11 ARG 41 10.466 12.233 -24.713 341 HH12 ARG 41 HH12 ARG 41 11.043 12.846 -26.227 342 HH21 ARG 41 HH21 ARG 41 11.661 9.689 -27.599 343 HH22 ARG 41 HH22 ARG 41 11.722 11.398 -27.868 Start of MODEL 10 1 H1 SER 1 H SER 1 2.600 1.169 -0.163 2 HA SER 1 HA SER 1 4.905 -0.529 0.288 3 HB2 SER 1 HB2 SER 1 2.032 -1.087 -0.453 4 HB3 SER 1 HB3 SER 1 3.255 -2.356 -0.391 5 HG SER 1 HG SER 1 2.549 -0.633 1.754 6 H GLU 2 H GLU 2 2.686 0.096 -2.434 7 HA GLU 2 HA GLU 2 4.185 -1.341 -4.339 8 HB2 GLU 2 HB2 GLU 2 1.992 0.677 -4.450 9 HB3 GLU 2 HB3 GLU 2 2.876 0.331 -5.930 10 HG2 GLU 2 HG2 GLU 2 2.056 -1.784 -6.097 11 HG3 GLU 2 HG3 GLU 2 1.865 -1.967 -4.354 12 H LYS 3 H LYS 3 6.115 -0.888 -5.138 13 HA LYS 3 HA LYS 3 7.942 0.238 -5.893 14 HB2 LYS 3 HB2 LYS 3 5.674 1.938 -6.590 15 HB3 LYS 3 HB3 LYS 3 7.161 2.851 -6.373 16 HG2 LYS 3 HG2 LYS 3 7.252 2.347 -8.608 17 HG3 LYS 3 HG3 LYS 3 8.187 1.020 -7.914 18 HD2 LYS 3 HD2 LYS 3 6.505 -0.525 -8.269 19 HD3 LYS 3 HD3 LYS 3 5.241 0.707 -8.305 20 HE2 LYS 3 HE2 LYS 3 5.747 1.335 -10.488 21 HE3 LYS 3 HE3 LYS 3 7.360 0.627 -10.420 22 HZ1 LYS 3 HZ1 LYS 3 4.810 -0.897 -10.461 23 HZ2 LYS 3 HZ2 LYS 3 6.361 -1.569 -10.415 24 HZ3 LYS 3 HZ3 LYS 3 5.857 -0.698 -11.774 25 HA PRO 4 HA PRO 4 9.753 2.365 -2.511 26 HB2 PRO 4 HB2 PRO 4 11.606 3.934 -3.725 27 HB3 PRO 4 HB3 PRO 4 11.771 2.179 -3.593 28 HG2 PRO 4 HG2 PRO 4 10.829 3.824 -5.910 29 HG3 PRO 4 HG3 PRO 4 11.922 2.428 -5.901 30 HD2 PRO 4 HD2 PRO 4 9.309 2.228 -6.583 31 HD3 PRO 4 HD3 PRO 4 10.190 0.913 -5.778 32 H GLN 5 H GLN 5 7.575 3.516 -2.311 33 HA GLN 5 HA GLN 5 7.309 6.171 -3.290 34 HB2 GLN 5 HB2 GLN 5 5.426 6.340 -1.722 35 HB3 GLN 5 HB3 GLN 5 5.361 4.849 -2.652 36 HG2 GLN 5 HG2 GLN 5 4.869 4.058 -0.576 37 HG3 GLN 5 HG3 GLN 5 6.621 3.868 -0.575 38 HE21 GLN 5 HE21 GLN 5 7.448 4.393 1.306 39 HE22 GLN 5 HE22 GLN 5 6.945 5.700 2.317 40 H GLN 6 H GLN 6 9.235 4.851 -0.875 41 HA GLN 6 HA GLN 6 9.213 6.740 1.157 42 HB2 GLN 6 HB2 GLN 6 10.470 4.586 1.182 43 HB3 GLN 6 HB3 GLN 6 11.648 5.303 0.091 44 HG2 GLN 6 HG2 GLN 6 12.613 5.492 2.200 45 HG3 GLN 6 HG3 GLN 6 11.959 7.096 1.872 46 HE21 GLN 6 HE21 GLN 6 11.214 4.041 3.481 47 HE22 GLN 6 HE22 GLN 6 10.277 4.735 4.755 48 H GLU 7 H GLU 7 10.605 6.900 -2.038 49 HA GLU 7 HA GLU 7 12.231 9.200 -1.528 50 HB2 GLU 7 HB2 GLU 7 11.813 7.376 -3.682 51 HB3 GLU 7 HB3 GLU 7 11.593 9.009 -4.295 52 HG2 GLU 7 HG2 GLU 7 13.844 8.628 -4.622 53 HG3 GLU 7 HG3 GLU 7 13.813 9.526 -3.106 54 H LEU 8 H LEU 8 8.981 8.637 -2.739 55 HA LEU 8 HA LEU 8 8.410 11.167 -3.757 56 HB2 LEU 8 HB2 LEU 8 7.002 9.109 -3.958 57 HB3 LEU 8 HB3 LEU 8 6.482 9.372 -2.294 58 HG LEU 8 HG LEU 8 5.390 11.434 -2.919 59 HD11 LEU 8 HD11 LEU 8 6.419 10.887 -5.699 60 HD12 LEU 8 HD12 LEU 8 6.939 12.190 -4.631 61 HD13 LEU 8 HD13 LEU 8 5.289 12.166 -5.252 62 HD21 LEU 8 HD21 LEU 8 4.366 9.804 -5.115 63 HD22 LEU 8 HD22 LEU 8 3.561 10.377 -3.654 64 HD23 LEU 8 HD23 LEU 8 4.553 8.920 -3.601 65 H GLU 9 H GLU 9 7.922 9.905 -0.466 66 HA GLU 9 HA GLU 9 6.744 12.105 0.705 67 HB2 GLU 9 HB2 GLU 9 8.530 9.939 1.727 68 HB3 GLU 9 HB3 GLU 9 8.153 11.290 2.786 69 HG2 GLU 9 HG2 GLU 9 5.778 10.835 2.555 70 HG3 GLU 9 HG3 GLU 9 6.129 9.507 1.449 71 H GLU 10 H GLU 10 10.143 11.540 -0.010 72 HA GLU 10 HA GLU 10 11.130 13.800 1.405 73 HB2 GLU 10 HB2 GLU 10 12.328 12.188 -0.853 74 HB3 GLU 10 HB3 GLU 10 13.191 13.436 0.035 75 HG2 GLU 10 HG2 GLU 10 11.950 11.084 1.418 76 HG3 GLU 10 HG3 GLU 10 13.568 11.014 0.722 77 H CYS 11 H CYS 11 10.175 13.235 -1.950 78 HA CYS 11 HA CYS 11 11.016 15.695 -3.007 79 HB2 CYS 11 HB2 CYS 11 10.122 13.530 -4.180 80 HB3 CYS 11 HB3 CYS 11 8.556 14.317 -4.023 81 H GLN 12 H GLN 12 7.755 14.701 -1.957 82 HA GLN 12 HA GLN 12 6.564 17.223 -2.255 83 HB2 GLN 12 HB2 GLN 12 5.785 15.042 -0.312 84 HB3 GLN 12 HB3 GLN 12 4.756 16.351 -0.877 85 HG2 GLN 12 HG2 GLN 12 5.462 15.258 -3.231 86 HG3 GLN 12 HG3 GLN 12 5.517 13.834 -2.193 87 HE21 GLN 12 HE21 GLN 12 3.712 14.059 -4.262 88 HE22 GLN 12 HE22 GLN 12 2.116 14.195 -3.616 89 H ASN 13 H ASN 13 8.132 15.698 0.527 90 HA ASN 13 HA ASN 13 7.522 17.542 2.495 91 HB2 ASN 13 HB2 ASN 13 8.625 15.570 3.179 92 HB3 ASN 13 HB3 ASN 13 9.952 15.820 2.048 93 HD21 ASN 13 HD21 ASN 13 11.751 16.303 3.052 94 HD22 ASN 13 HD22 ASN 13 11.906 17.295 4.458 95 H VAL 14 H VAL 14 10.140 17.624 0.112 96 HA VAL 14 HA VAL 14 11.314 20.025 1.085 97 HB VAL 14 HB VAL 14 11.523 18.765 -1.653 98 HG11 VAL 14 HG11 VAL 14 12.605 21.224 -0.524 99 HG12 VAL 14 HG12 VAL 14 13.845 20.155 -1.182 100 HG13 VAL 14 HG13 VAL 14 12.511 20.693 -2.203 101 HG21 VAL 14 HG21 VAL 14 12.990 17.311 -0.815 102 HG22 VAL 14 HG22 VAL 14 13.835 18.569 0.087 103 HG23 VAL 14 HG23 VAL 14 12.413 17.790 0.781 104 H CYS 15 H CYS 15 8.852 19.295 -1.316 105 HA CYS 15 HA CYS 15 8.706 21.784 -2.579 106 HB2 CYS 15 HB2 CYS 15 6.519 19.759 -2.061 107 HB3 CYS 15 HB3 CYS 15 6.382 21.117 -3.173 108 H ARG 16 H ARG 16 7.040 20.570 0.304 109 HA ARG 16 HA ARG 16 5.455 22.872 0.730 110 HB2 ARG 16 HB2 ARG 16 6.410 20.896 2.808 111 HB3 ARG 16 HB3 ARG 16 5.013 21.958 2.925 112 HG2 ARG 16 HG2 ARG 16 3.855 20.742 1.230 113 HG3 ARG 16 HG3 ARG 16 5.293 19.789 0.860 114 HD2 ARG 16 HD2 ARG 16 3.732 19.753 3.440 115 HD3 ARG 16 HD3 ARG 16 3.739 18.496 2.204 116 HE ARG 16 HE ARG 16 6.370 18.983 3.103 117 HH11 ARG 16 HH11 ARG 16 3.372 17.528 4.111 118 HH12 ARG 16 HH12 ARG 16 4.132 16.385 5.169 119 HH21 ARG 16 HH21 ARG 16 7.382 17.484 4.493 120 HH22 ARG 16 HH22 ARG 16 6.412 16.362 5.386 121 H MET 17 H MET 17 8.769 22.180 1.326 122 HA MET 17 HA MET 17 9.087 24.264 3.315 123 HB2 MET 17 HB2 MET 17 10.727 22.088 2.224 124 HB3 MET 17 HB3 MET 17 11.626 23.564 2.548 125 HG2 MET 17 HG2 MET 17 9.870 22.938 4.739 126 HG3 MET 17 HG3 MET 17 10.921 21.574 4.362 127 HE1 MET 17 HE1 MET 17 11.312 21.922 6.739 128 HE2 MET 17 HE2 MET 17 12.950 22.445 7.133 129 HE3 MET 17 HE3 MET 17 11.584 23.519 7.438 130 H LYS 18 H LYS 18 8.560 24.362 0.131 131 HA LYS 18 HA LYS 18 10.620 26.141 -0.754 132 HB2 LYS 18 HB2 LYS 18 7.913 25.471 -1.918 133 HB3 LYS 18 HB3 LYS 18 9.109 26.482 -2.718 134 HG2 LYS 18 HG2 LYS 18 9.417 23.578 -1.988 135 HG3 LYS 18 HG3 LYS 18 9.192 24.244 -3.607 136 HD2 LYS 18 HD2 LYS 18 11.333 25.599 -3.090 137 HD3 LYS 18 HD3 LYS 18 11.584 24.413 -1.808 138 HE2 LYS 18 HE2 LYS 18 11.165 22.683 -3.712 139 HE3 LYS 18 HE3 LYS 18 11.567 24.031 -4.773 140 HZ1 LYS 18 HZ1 LYS 18 13.477 22.588 -4.153 141 HZ2 LYS 18 HZ2 LYS 18 13.312 23.118 -2.556 142 HZ3 LYS 18 HZ3 LYS 18 13.698 24.222 -3.777 143 H ARG 19 H ARG 19 10.779 28.255 -0.415 144 HA ARG 19 HA ARG 19 8.566 29.652 0.868 145 HB2 ARG 19 HB2 ARG 19 11.466 30.350 0.427 146 HB3 ARG 19 HB3 ARG 19 10.305 31.499 1.079 147 HG2 ARG 19 HG2 ARG 19 10.663 28.816 2.349 148 HG3 ARG 19 HG3 ARG 19 11.776 30.140 2.699 149 HD2 ARG 19 HD2 ARG 19 8.811 30.520 2.907 150 HD3 ARG 19 HD3 ARG 19 9.726 29.795 4.229 151 HE ARG 19 HE ARG 19 9.651 32.553 3.508 152 HH11 ARG 19 HH11 ARG 19 11.675 30.065 4.863 153 HH12 ARG 19 HH12 ARG 19 12.649 31.172 5.773 154 HH21 ARG 19 HH21 ARG 19 10.927 34.020 4.701 155 HH22 ARG 19 HH22 ARG 19 12.222 33.421 5.680 156 H TRP 20 H TRP 20 8.012 29.041 -1.759 157 HA TRP 20 HA TRP 20 8.407 31.566 -3.211 158 HB2 TRP 20 HB2 TRP 20 7.750 28.771 -4.119 159 HB3 TRP 20 HB3 TRP 20 7.485 30.163 -5.166 160 HD1 TRP 20 HD1 TRP 20 10.544 29.488 -2.883 161 HE1 TRP 20 HE1 TRP 20 12.652 29.500 -4.360 162 HE3 TRP 20 HE3 TRP 20 8.329 30.063 -7.455 163 HZ2 TRP 20 HZ2 TRP 20 13.291 29.724 -7.100 164 HZ3 TRP 20 HZ3 TRP 20 9.760 30.167 -9.454 165 HH2 TRP 20 HH2 TRP 20 12.189 30.002 -9.278 166 H SER 21 H SER 21 5.833 29.098 -3.070 167 HA SER 21 HA SER 21 3.855 30.785 -2.017 168 HB2 SER 21 HB2 SER 21 2.493 31.154 -4.072 169 HB3 SER 21 HB3 SER 21 4.023 32.030 -4.094 170 HG SER 21 HG SER 21 3.526 30.909 -6.075 171 H THR 22 H THR 22 1.789 29.771 -1.889 172 HA THR 22 HA THR 22 1.807 27.049 -1.459 173 HB THR 22 HB THR 22 0.043 28.401 -0.534 174 HG1 THR 22 HG1 THR 22 -1.121 26.625 -2.435 175 HG21 THR 22 HG21 THR 22 -0.094 29.963 -2.503 176 HG22 THR 22 HG22 THR 22 -1.650 29.479 -1.827 177 HG23 THR 22 HG23 THR 22 -1.066 28.739 -3.318 178 H GLU 23 H GLU 23 0.943 28.808 -4.396 179 HA GLU 23 HA GLU 23 -0.093 26.658 -5.863 180 HB2 GLU 23 HB2 GLU 23 1.131 29.289 -6.584 181 HB3 GLU 23 HB3 GLU 23 0.829 28.112 -7.854 182 HG2 GLU 23 HG2 GLU 23 -1.092 29.370 -7.892 183 HG3 GLU 23 HG3 GLU 23 -1.559 28.018 -6.862 184 H MET 24 H MET 24 3.218 27.884 -5.570 185 HA MET 24 HA MET 24 4.380 26.122 -7.443 186 HB2 MET 24 HB2 MET 24 5.366 27.916 -5.296 187 HB3 MET 24 HB3 MET 24 6.455 26.635 -5.813 188 HG2 MET 24 HG2 MET 24 5.148 28.439 -7.808 189 HG3 MET 24 HG3 MET 24 6.605 28.933 -6.949 190 HE1 MET 24 HE1 MET 24 6.468 27.070 -10.789 191 HE2 MET 24 HE2 MET 24 5.371 26.103 -9.803 192 HE3 MET 24 HE3 MET 24 5.212 27.860 -9.835 193 H VAL 25 H VAL 25 3.617 25.817 -4.039 194 HA VAL 25 HA VAL 25 5.158 23.503 -3.511 195 HB VAL 25 HB VAL 25 2.616 24.410 -2.151 196 HG11 VAL 25 HG11 VAL 25 3.352 23.073 -0.273 197 HG12 VAL 25 HG12 VAL 25 3.224 22.060 -1.712 198 HG13 VAL 25 HG13 VAL 25 4.807 22.596 -1.147 199 HG21 VAL 25 HG21 VAL 25 5.120 25.667 -2.267 200 HG22 VAL 25 HG22 VAL 25 3.780 26.039 -1.183 201 HG23 VAL 25 HG23 VAL 25 5.032 24.904 -0.679 202 H HIS 26 H HIS 26 1.727 23.926 -4.353 203 HA HIS 26 HA HIS 26 1.046 21.202 -4.344 204 HB2 HIS 26 HB2 HIS 26 -0.295 23.591 -4.774 205 HB3 HIS 26 HB3 HIS 26 -0.417 22.765 -6.325 206 HD1 HIS 26 HD1 HIS 26 -2.858 22.132 -6.182 207 HD2 HIS 26 HD2 HIS 26 -0.660 20.861 -2.894 208 HE1 HIS 26 HE1 HIS 26 -4.392 20.610 -4.895 209 H ARG 27 H ARG 27 1.933 23.332 -7.058 210 HA ARG 27 HA ARG 27 1.798 21.431 -9.088 211 HB2 ARG 27 HB2 ARG 27 3.517 23.893 -8.793 212 HB3 ARG 27 HB3 ARG 27 3.474 22.929 -10.263 213 HG2 ARG 27 HG2 ARG 27 1.295 23.538 -10.754 214 HG3 ARG 27 HG3 ARG 27 0.944 24.001 -9.088 215 HD2 ARG 27 HD2 ARG 27 1.140 26.044 -10.182 216 HD3 ARG 27 HD3 ARG 27 2.728 25.822 -9.448 217 HE ARG 27 HE ARG 27 3.625 25.785 -11.543 218 HH11 ARG 27 HH11 ARG 27 0.231 25.045 -11.776 219 HH12 ARG 27 HH12 ARG 27 0.221 25.027 -13.509 220 HH21 ARG 27 HH21 ARG 27 3.624 25.764 -13.824 221 HH22 ARG 27 HH22 ARG 27 2.151 25.435 -14.672 222 H CYS 28 H CYS 28 4.406 22.197 -6.847 223 HA CYS 28 HA CYS 28 6.433 20.677 -8.059 224 HB2 CYS 28 HB2 CYS 28 6.867 22.334 -6.295 225 HB3 CYS 28 HB3 CYS 28 6.036 21.312 -5.127 226 H GLU 29 H GLU 29 4.050 19.825 -5.573 227 HA GLU 29 HA GLU 29 4.981 17.185 -5.167 228 HB2 GLU 29 HB2 GLU 29 2.243 18.378 -4.693 229 HB3 GLU 29 HB3 GLU 29 2.770 16.808 -4.104 230 HG2 GLU 29 HG2 GLU 29 4.707 18.212 -3.032 231 HG3 GLU 29 HG3 GLU 29 3.552 19.532 -3.206 232 H LYS 30 H LYS 30 2.599 18.590 -7.349 233 HA LYS 30 HA LYS 30 1.429 16.239 -8.300 234 HB2 LYS 30 HB2 LYS 30 1.666 19.029 -9.229 235 HB3 LYS 30 HB3 LYS 30 1.360 17.845 -10.493 236 HG2 LYS 30 HG2 LYS 30 -0.421 17.170 -8.477 237 HG3 LYS 30 HG3 LYS 30 -0.432 18.935 -8.509 238 HD2 LYS 30 HD2 LYS 30 -0.648 18.653 -11.070 239 HD3 LYS 30 HD3 LYS 30 -1.133 16.999 -10.688 240 HE2 LYS 30 HE2 LYS 30 -2.556 18.752 -8.969 241 HE3 LYS 30 HE3 LYS 30 -2.691 19.378 -10.612 242 HZ1 LYS 30 HZ1 LYS 30 -3.444 17.178 -11.325 243 HZ2 LYS 30 HZ2 LYS 30 -4.469 17.836 -10.152 244 HZ3 LYS 30 HZ3 LYS 30 -3.368 16.624 -9.729 245 H LYS 31 H LYS 31 4.070 18.129 -9.779 246 HA LYS 31 HA LYS 31 4.658 16.352 -11.842 247 HB2 LYS 31 HB2 LYS 31 6.896 17.443 -11.879 248 HB3 LYS 31 HB3 LYS 31 5.559 18.585 -11.856 249 HG2 LYS 31 HG2 LYS 31 5.894 18.928 -9.459 250 HG3 LYS 31 HG3 LYS 31 7.241 17.788 -9.488 251 HD2 LYS 31 HD2 LYS 31 7.105 20.335 -11.101 252 HD3 LYS 31 HD3 LYS 31 7.961 20.159 -9.567 253 HE2 LYS 31 HE2 LYS 31 9.278 18.305 -10.633 254 HE3 LYS 31 HE3 LYS 31 8.536 18.753 -12.169 255 HZ1 LYS 31 HZ1 LYS 31 10.834 19.748 -11.372 256 HZ2 LYS 31 HZ2 LYS 31 9.816 20.880 -10.634 257 HZ3 LYS 31 HZ3 LYS 31 9.747 20.645 -12.308 258 H CYS 32 H CYS 32 5.862 16.470 -8.522 259 HA CYS 32 HA CYS 32 7.831 14.481 -8.765 260 HB2 CYS 32 HB2 CYS 32 6.240 15.537 -6.441 261 HB3 CYS 32 HB3 CYS 32 7.380 14.212 -6.232 262 H GLU 33 H GLU 33 4.373 14.306 -8.381 263 HA GLU 33 HA GLU 33 4.302 11.548 -7.614 264 HB2 GLU 33 HB2 GLU 33 2.272 13.585 -8.435 265 HB3 GLU 33 HB3 GLU 33 1.822 11.885 -8.441 266 HG2 GLU 33 HG2 GLU 33 3.108 13.050 -6.019 267 HG3 GLU 33 HG3 GLU 33 1.402 13.360 -6.337 268 H GLU 34 H GLU 34 3.447 13.259 -10.626 269 HA GLU 34 HA GLU 34 2.916 11.016 -12.182 270 HB2 GLU 34 HB2 GLU 34 3.449 12.495 -14.131 271 HB3 GLU 34 HB3 GLU 34 2.307 13.186 -12.987 272 HG2 GLU 34 HG2 GLU 34 4.191 14.453 -11.972 273 HG3 GLU 34 HG3 GLU 34 5.224 13.857 -13.270 274 H LYS 35 H LYS 35 5.973 12.753 -11.708 275 HA LYS 35 HA LYS 35 7.513 11.176 -13.465 276 HB2 LYS 35 HB2 LYS 35 7.955 13.326 -11.617 277 HB3 LYS 35 HB3 LYS 35 9.185 12.093 -11.372 278 HG2 LYS 35 HG2 LYS 35 8.577 12.987 -14.146 279 HG3 LYS 35 HG3 LYS 35 9.539 14.030 -13.095 280 HD2 LYS 35 HD2 LYS 35 11.191 12.335 -12.800 281 HD3 LYS 35 HD3 LYS 35 10.174 11.124 -13.584 282 HE2 LYS 35 HE2 LYS 35 11.599 11.660 -15.300 283 HE3 LYS 35 HE3 LYS 35 10.284 12.795 -15.602 284 HZ1 LYS 35 HZ1 LYS 35 12.198 13.888 -13.806 285 HZ2 LYS 35 HZ2 LYS 35 11.645 14.500 -15.282 286 HZ3 LYS 35 HZ3 LYS 35 12.938 13.409 -15.250 287 H PHE 36 H PHE 36 6.167 10.474 -10.436 288 HA PHE 36 HA PHE 36 8.155 8.502 -9.687 289 HB2 PHE 36 HB2 PHE 36 6.308 9.992 -8.267 290 HB3 PHE 36 HB3 PHE 36 5.601 8.380 -8.272 291 HD1 PHE 36 HD2 PHE 36 8.396 10.438 -7.137 292 HD2 PHE 36 HD1 PHE 36 6.690 6.538 -7.148 293 HE1 PHE 36 HE2 PHE 36 9.909 9.774 -5.315 294 HE2 PHE 36 HE1 PHE 36 8.200 5.869 -5.325 295 HZ PHE 36 HZ PHE 36 9.813 7.487 -4.407 296 H GLU 37 H GLU 37 5.177 8.644 -11.426 297 HA GLU 37 HA GLU 37 4.263 6.019 -11.149 298 HB2 GLU 37 HB2 GLU 37 3.996 8.062 -13.337 299 HB3 GLU 37 HB3 GLU 37 3.315 6.452 -13.520 300 HG2 GLU 37 HG2 GLU 37 1.802 6.764 -11.769 301 HG3 GLU 37 HG3 GLU 37 2.680 8.157 -11.142 302 H ARG 38 H ARG 38 6.977 7.282 -12.843 303 HA ARG 38 HA ARG 38 7.790 4.613 -13.603 304 HB2 ARG 38 HB2 ARG 38 6.370 5.555 -15.506 305 HB3 ARG 38 HB3 ARG 38 7.671 6.710 -15.763 306 HG2 ARG 38 HG2 ARG 38 9.227 4.804 -16.084 307 HG3 ARG 38 HG3 ARG 38 7.844 3.714 -15.974 308 HD2 ARG 38 HD2 ARG 38 6.816 4.890 -17.891 309 HD3 ARG 38 HD3 ARG 38 8.265 5.885 -18.024 310 HE ARG 38 HE ARG 38 9.225 3.356 -18.159 311 HH11 ARG 38 HH11 ARG 38 6.736 5.079 -19.879 312 HH12 ARG 38 HH12 ARG 38 6.945 4.180 -21.345 313 HH21 ARG 38 HH21 ARG 38 9.509 2.165 -20.084 314 HH22 ARG 38 HH22 ARG 38 8.522 2.522 -21.460 315 H GLN 39 H GLN 39 9.724 4.606 -12.647 316 HA GLN 39 HA GLN 39 11.620 6.729 -13.364 317 HB2 GLN 39 HB2 GLN 39 10.614 6.092 -10.710 318 HB3 GLN 39 HB3 GLN 39 12.366 5.971 -10.796 319 HG2 GLN 39 HG2 GLN 39 10.951 8.376 -11.868 320 HG3 GLN 39 HG3 GLN 39 11.289 8.218 -10.145 321 HE21 GLN 39 HE21 GLN 39 12.634 10.059 -10.302 322 HE22 GLN 39 HE22 GLN 39 14.230 9.941 -10.953 323 H GLN 40 H GLN 40 13.903 5.975 -12.407 324 HA GLN 40 HA GLN 40 14.358 3.353 -13.605 325 HB2 GLN 40 HB2 GLN 40 16.629 3.978 -13.839 326 HB3 GLN 40 HB3 GLN 40 15.693 5.407 -14.258 327 HG2 GLN 40 HG2 GLN 40 16.053 6.194 -11.894 328 HG3 GLN 40 HG3 GLN 40 17.206 4.872 -11.720 329 HE21 GLN 40 HE21 GLN 40 19.204 5.054 -12.593 330 HE22 GLN 40 HE22 GLN 40 19.779 6.466 -13.405 331 H ARG 41 H ARG 41 14.568 5.018 -10.544 332 HA ARG 41 HA ARG 41 15.021 2.460 -9.217 333 HB2 ARG 41 HB2 ARG 41 17.121 4.243 -9.590 334 HB3 ARG 41 HB3 ARG 41 16.581 4.562 -7.947 335 HG2 ARG 41 HG2 ARG 41 16.958 2.308 -7.297 336 HG3 ARG 41 HG3 ARG 41 17.228 1.810 -8.968 337 HD2 ARG 41 HD2 ARG 41 19.255 3.112 -9.074 338 HD3 ARG 41 HD3 ARG 41 18.956 3.771 -7.466 339 HE ARG 41 HE ARG 41 19.031 1.032 -7.164 340 HH11 ARG 41 HH11 ARG 41 21.190 3.524 -8.281 341 HH12 ARG 41 HH12 ARG 41 22.624 2.684 -7.790 342 HH21 ARG 41 HH21 ARG 41 20.911 -0.084 -6.512 343 HH22 ARG 41 HH22 ARG 41 22.464 0.632 -6.785 Start of MODEL 11 1 H1 SER 1 H SER 1 13.191 -4.800 -0.531 2 HA SER 1 HA SER 1 13.509 -2.804 1.611 3 HB2 SER 1 HB2 SER 1 13.323 -2.407 -1.353 4 HB3 SER 1 HB3 SER 1 12.672 -1.173 -0.274 5 HG SER 1 HG SER 1 14.857 -0.768 -0.791 6 H GLU 2 H GLU 2 11.618 -1.722 2.275 7 HA GLU 2 HA GLU 2 9.108 -2.990 1.393 8 HB2 GLU 2 HB2 GLU 2 10.090 -3.459 3.795 9 HB3 GLU 2 HB3 GLU 2 9.394 -1.886 4.156 10 HG2 GLU 2 HG2 GLU 2 7.786 -3.499 4.765 11 HG3 GLU 2 HG3 GLU 2 7.214 -2.752 3.274 12 H LYS 3 H LYS 3 7.460 -1.679 0.852 13 HA LYS 3 HA LYS 3 6.402 0.232 0.201 14 HB2 LYS 3 HB2 LYS 3 7.468 1.290 2.825 15 HB3 LYS 3 HB3 LYS 3 6.092 1.918 1.927 16 HG2 LYS 3 HG2 LYS 3 6.153 -0.906 2.926 17 HG3 LYS 3 HG3 LYS 3 5.627 0.433 3.949 18 HD2 LYS 3 HD2 LYS 3 3.608 -0.129 3.067 19 HD3 LYS 3 HD3 LYS 3 4.151 0.962 1.791 20 HE2 LYS 3 HE2 LYS 3 3.529 -0.835 0.526 21 HE3 LYS 3 HE3 LYS 3 5.214 -1.254 0.830 22 HZ1 LYS 3 HZ1 LYS 3 4.355 -3.179 1.532 23 HZ2 LYS 3 HZ2 LYS 3 2.802 -2.545 1.748 24 HZ3 LYS 3 HZ3 LYS 3 3.974 -2.340 2.951 25 HA PRO 4 HA PRO 4 10.346 2.149 -1.311 26 HB2 PRO 4 HB2 PRO 4 9.695 1.966 -3.940 27 HB3 PRO 4 HB3 PRO 4 10.481 0.656 -3.052 28 HG2 PRO 4 HG2 PRO 4 7.590 1.006 -3.748 29 HG3 PRO 4 HG3 PRO 4 8.591 -0.456 -3.828 30 HD2 PRO 4 HD2 PRO 4 6.874 0.025 -1.790 31 HD3 PRO 4 HD3 PRO 4 8.393 -0.866 -1.568 32 H GLN 5 H GLN 5 7.025 2.826 -1.395 33 HA GLN 5 HA GLN 5 7.366 5.380 -2.769 34 HB2 GLN 5 HB2 GLN 5 4.973 3.817 -1.839 35 HB3 GLN 5 HB3 GLN 5 4.829 5.512 -2.285 36 HG2 GLN 5 HG2 GLN 5 5.738 4.976 -4.509 37 HG3 GLN 5 HG3 GLN 5 5.788 3.274 -4.053 38 HE21 GLN 5 HE21 GLN 5 4.001 2.073 -4.265 39 HE22 GLN 5 HE22 GLN 5 2.457 2.677 -4.750 40 H GLN 6 H GLN 6 8.447 4.697 -0.039 41 HA GLN 6 HA GLN 6 6.936 6.387 1.755 42 HB2 GLN 6 HB2 GLN 6 9.388 4.692 1.985 43 HB3 GLN 6 HB3 GLN 6 9.096 5.936 3.193 44 HG2 GLN 6 HG2 GLN 6 6.984 3.935 2.497 45 HG3 GLN 6 HG3 GLN 6 8.265 3.552 3.646 46 HE21 GLN 6 HE21 GLN 6 5.787 3.429 4.574 47 HE22 GLN 6 HE22 GLN 6 5.423 4.774 5.595 48 H GLU 7 H GLU 7 9.718 6.642 -0.316 49 HA GLU 7 HA GLU 7 10.837 8.977 0.851 50 HB2 GLU 7 HB2 GLU 7 11.278 7.348 -1.543 51 HB3 GLU 7 HB3 GLU 7 11.595 9.058 -1.795 52 HG2 GLU 7 HG2 GLU 7 13.254 9.104 -0.128 53 HG3 GLU 7 HG3 GLU 7 12.766 7.534 0.508 54 H LEU 8 H LEU 8 8.400 8.406 -1.610 55 HA LEU 8 HA LEU 8 8.206 10.905 -2.772 56 HB2 LEU 8 HB2 LEU 8 6.957 8.914 -3.496 57 HB3 LEU 8 HB3 LEU 8 5.937 9.048 -2.065 58 HG LEU 8 HG LEU 8 5.014 11.137 -2.882 59 HD11 LEU 8 HD11 LEU 8 5.597 12.052 -5.035 60 HD12 LEU 8 HD12 LEU 8 6.752 10.749 -5.314 61 HD13 LEU 8 HD13 LEU 8 7.047 11.930 -4.038 62 HD21 LEU 8 HD21 LEU 8 3.757 10.284 -4.749 63 HD22 LEU 8 HD22 LEU 8 4.018 8.980 -3.589 64 HD23 LEU 8 HD23 LEU 8 4.983 9.056 -5.064 65 H GLU 9 H GLU 9 6.503 9.724 0.125 66 HA GLU 9 HA GLU 9 5.033 11.977 0.734 67 HB2 GLU 9 HB2 GLU 9 6.197 9.759 2.343 68 HB3 GLU 9 HB3 GLU 9 5.586 11.160 3.211 69 HG2 GLU 9 HG2 GLU 9 3.412 10.877 2.109 70 HG3 GLU 9 HG3 GLU 9 4.030 9.443 1.291 71 H GLU 10 H GLU 10 8.437 11.334 1.325 72 HA GLU 10 HA GLU 10 8.878 13.603 2.991 73 HB2 GLU 10 HB2 GLU 10 10.856 12.002 1.357 74 HB3 GLU 10 HB3 GLU 10 11.263 13.139 2.634 75 HG2 GLU 10 HG2 GLU 10 9.460 10.843 3.231 76 HG3 GLU 10 HG3 GLU 10 11.199 10.585 3.115 77 H CYS 11 H CYS 11 9.284 12.960 -0.463 78 HA CYS 11 HA CYS 11 10.539 15.357 -1.173 79 HB2 CYS 11 HB2 CYS 11 10.050 13.192 -2.560 80 HB3 CYS 11 HB3 CYS 11 8.568 14.033 -3.004 81 H GLN 12 H GLN 12 7.080 14.512 -1.228 82 HA GLN 12 HA GLN 12 6.143 17.009 -2.089 83 HB2 GLN 12 HB2 GLN 12 4.711 15.029 -0.311 84 HB3 GLN 12 HB3 GLN 12 3.963 16.290 -1.281 85 HG2 GLN 12 HG2 GLN 12 5.243 15.024 -3.226 86 HG3 GLN 12 HG3 GLN 12 5.089 13.678 -2.099 87 HE21 GLN 12 HE21 GLN 12 3.725 14.930 -4.704 88 HE22 GLN 12 HE22 GLN 12 2.068 14.517 -4.444 89 H ASN 13 H ASN 13 6.538 15.701 1.191 90 HA ASN 13 HA ASN 13 5.494 17.827 2.633 91 HB2 ASN 13 HB2 ASN 13 7.591 15.767 3.232 92 HB3 ASN 13 HB3 ASN 13 7.277 17.057 4.389 93 HD21 ASN 13 HD21 ASN 13 6.799 14.903 5.546 94 HD22 ASN 13 HD22 ASN 13 5.140 14.419 5.545 95 H VAL 14 H VAL 14 8.780 17.361 1.395 96 HA VAL 14 HA VAL 14 9.930 19.650 2.554 97 HB VAL 14 HB VAL 14 10.686 18.232 -0.005 98 HG11 VAL 14 HG11 VAL 14 11.691 20.369 -0.093 99 HG12 VAL 14 HG12 VAL 14 12.113 20.323 1.620 100 HG13 VAL 14 HG13 VAL 14 12.943 19.266 0.477 101 HG21 VAL 14 HG21 VAL 14 10.746 17.270 2.566 102 HG22 VAL 14 HG22 VAL 14 11.736 16.688 1.228 103 HG23 VAL 14 HG23 VAL 14 12.381 17.892 2.343 104 H CYS 15 H CYS 15 8.299 19.148 -0.545 105 HA CYS 15 HA CYS 15 8.813 21.654 -1.679 106 HB2 CYS 15 HB2 CYS 15 6.402 19.864 -2.050 107 HB3 CYS 15 HB3 CYS 15 6.845 21.203 -3.104 108 H ARG 16 H ARG 16 6.180 20.562 0.421 109 HA ARG 16 HA ARG 16 4.780 23.046 0.363 110 HB2 ARG 16 HB2 ARG 16 4.609 20.824 2.406 111 HB3 ARG 16 HB3 ARG 16 3.431 22.107 2.162 112 HG2 ARG 16 HG2 ARG 16 2.531 21.124 0.335 113 HG3 ARG 16 HG3 ARG 16 4.067 20.427 -0.184 114 HD2 ARG 16 HD2 ARG 16 3.827 18.904 1.876 115 HD3 ARG 16 HD3 ARG 16 2.141 19.418 1.881 116 HE ARG 16 HE ARG 16 3.406 17.625 0.015 117 HH11 ARG 16 HH11 ARG 16 0.732 19.783 0.578 118 HH12 ARG 16 HH12 ARG 16 -0.293 19.028 -0.596 119 HH21 ARG 16 HH21 ARG 16 2.065 16.623 -1.534 120 HH22 ARG 16 HH22 ARG 16 0.465 17.230 -1.797 121 H MET 17 H MET 17 7.563 21.957 1.984 122 HA MET 17 HA MET 17 7.293 23.903 4.146 123 HB2 MET 17 HB2 MET 17 9.076 21.570 3.616 124 HB3 MET 17 HB3 MET 17 9.674 22.855 4.658 125 HG2 MET 17 HG2 MET 17 7.237 22.458 5.734 126 HG3 MET 17 HG3 MET 17 7.592 20.838 5.139 127 HE1 MET 17 HE1 MET 17 8.920 19.651 8.393 128 HE2 MET 17 HE2 MET 17 7.338 20.133 7.780 129 HE3 MET 17 HE3 MET 17 8.432 19.197 6.760 130 H LYS 18 H LYS 18 8.029 24.198 1.076 131 HA LYS 18 HA LYS 18 10.587 25.479 1.138 132 HB2 LYS 18 HB2 LYS 18 8.388 25.491 -0.936 133 HB3 LYS 18 HB3 LYS 18 9.971 26.221 -1.171 134 HG2 LYS 18 HG2 LYS 18 9.390 23.303 -0.707 135 HG3 LYS 18 HG3 LYS 18 9.902 24.055 -2.220 136 HD2 LYS 18 HD2 LYS 18 11.930 24.870 -0.779 137 HD3 LYS 18 HD3 LYS 18 11.470 23.525 0.267 138 HE2 LYS 18 HE2 LYS 18 11.967 21.939 -1.331 139 HE3 LYS 18 HE3 LYS 18 11.749 23.067 -2.669 140 HZ1 LYS 18 HZ1 LYS 18 13.980 23.059 -2.668 141 HZ2 LYS 18 HZ2 LYS 18 14.103 22.532 -1.066 142 HZ3 LYS 18 HZ3 LYS 18 13.822 24.167 -1.399 143 H ARG 19 H ARG 19 10.447 27.799 -0.142 144 HA ARG 19 HA ARG 19 8.556 29.502 1.317 145 HB2 ARG 19 HB2 ARG 19 11.555 29.753 1.281 146 HB3 ARG 19 HB3 ARG 19 10.519 31.137 1.603 147 HG2 ARG 19 HG2 ARG 19 9.522 29.893 3.497 148 HG3 ARG 19 HG3 ARG 19 10.681 28.594 3.205 149 HD2 ARG 19 HD2 ARG 19 12.521 30.014 3.718 150 HD3 ARG 19 HD3 ARG 19 11.490 31.445 3.734 151 HE ARG 19 HE ARG 19 11.862 29.548 5.864 152 HH11 ARG 19 HH11 ARG 19 9.750 31.957 4.502 153 HH12 ARG 19 HH12 ARG 19 8.955 32.297 6.003 154 HH21 ARG 19 HH21 ARG 19 10.822 29.987 7.847 155 HH22 ARG 19 HH22 ARG 19 9.566 31.177 7.905 156 H TRP 20 H TRP 20 8.820 28.558 -1.483 157 HA TRP 20 HA TRP 20 9.312 31.112 -2.852 158 HB2 TRP 20 HB2 TRP 20 9.333 29.714 -4.935 159 HB3 TRP 20 HB3 TRP 20 10.613 29.324 -3.790 160 HD1 TRP 20 HD1 TRP 20 7.220 27.939 -2.920 161 HE1 TRP 20 HE1 TRP 20 7.198 25.399 -3.335 162 HE3 TRP 20 HE3 TRP 20 11.657 27.487 -5.418 163 HZ2 TRP 20 HZ2 TRP 20 8.845 23.460 -4.559 164 HZ3 TRP 20 HZ3 TRP 20 12.362 25.255 -6.177 165 HH2 TRP 20 HH2 TRP 20 10.983 23.284 -5.755 166 H SER 21 H SER 21 7.857 30.959 -5.074 167 HA SER 21 HA SER 21 5.305 31.747 -4.321 168 HB2 SER 21 HB2 SER 21 4.719 31.511 -6.733 169 HB3 SER 21 HB3 SER 21 6.234 32.375 -6.473 170 HG SER 21 HG SER 21 7.154 30.914 -7.648 171 H THR 22 H THR 22 3.312 30.770 -4.259 172 HA THR 22 HA THR 22 3.088 28.176 -3.358 173 HB THR 22 HB THR 22 1.267 29.698 -3.016 174 HG1 THR 22 HG1 THR 22 0.062 27.967 -3.055 175 HG21 THR 22 HG21 THR 22 -0.105 30.583 -4.780 176 HG22 THR 22 HG22 THR 22 0.761 29.638 -5.991 177 HG23 THR 22 HG23 THR 22 1.578 30.956 -5.151 178 H GLU 23 H GLU 23 2.785 29.382 -6.671 179 HA GLU 23 HA GLU 23 1.870 27.114 -7.950 180 HB2 GLU 23 HB2 GLU 23 3.679 29.344 -8.812 181 HB3 GLU 23 HB3 GLU 23 3.368 27.997 -9.897 182 HG2 GLU 23 HG2 GLU 23 0.887 28.486 -9.470 183 HG3 GLU 23 HG3 GLU 23 1.449 30.031 -8.834 184 H MET 24 H MET 24 5.190 27.950 -7.051 185 HA MET 24 HA MET 24 6.430 25.733 -8.281 186 HB2 MET 24 HB2 MET 24 7.300 27.429 -5.937 187 HB3 MET 24 HB3 MET 24 8.325 26.239 -6.727 188 HG2 MET 24 HG2 MET 24 7.060 28.397 -8.347 189 HG3 MET 24 HG3 MET 24 8.481 28.754 -7.369 190 HE1 MET 24 HE1 MET 24 6.836 27.071 -10.145 191 HE2 MET 24 HE2 MET 24 7.901 28.060 -11.144 192 HE3 MET 24 HE3 MET 24 8.078 26.305 -11.136 193 H VAL 25 H VAL 25 4.930 26.192 -5.143 194 HA VAL 25 HA VAL 25 5.895 23.892 -3.858 195 HB VAL 25 HB VAL 25 3.221 25.245 -3.469 196 HG11 VAL 25 HG11 VAL 25 3.232 24.237 -1.263 197 HG12 VAL 25 HG12 VAL 25 3.348 22.985 -2.501 198 HG13 VAL 25 HG13 VAL 25 4.784 23.468 -1.598 199 HG21 VAL 25 HG21 VAL 25 4.239 26.624 -1.850 200 HG22 VAL 25 HG22 VAL 25 5.723 25.671 -1.855 201 HG23 VAL 25 HG23 VAL 25 5.313 26.671 -3.248 202 H HIS 26 H HIS 26 2.883 24.403 -5.687 203 HA HIS 26 HA HIS 26 1.952 21.750 -5.453 204 HB2 HIS 26 HB2 HIS 26 1.256 24.130 -7.070 205 HB3 HIS 26 HB3 HIS 26 0.772 22.576 -7.743 206 HD1 HIS 26 HD1 HIS 26 -1.039 21.242 -6.463 207 HD2 HIS 26 HD2 HIS 26 -0.129 24.928 -4.777 208 HE1 HIS 26 HE1 HIS 26 -2.866 21.687 -4.793 209 H ARG 27 H ARG 27 3.594 23.405 -8.149 210 HA ARG 27 HA ARG 27 3.761 21.254 -9.893 211 HB2 ARG 27 HB2 ARG 27 5.592 23.614 -9.479 212 HB3 ARG 27 HB3 ARG 27 5.829 22.448 -10.774 213 HG2 ARG 27 HG2 ARG 27 3.655 22.994 -11.699 214 HG3 ARG 27 HG3 ARG 27 3.354 24.115 -10.369 215 HD2 ARG 27 HD2 ARG 27 4.057 25.379 -12.279 216 HD3 ARG 27 HD3 ARG 27 5.354 25.406 -11.085 217 HE ARG 27 HE ARG 27 5.959 23.303 -12.725 218 HH11 ARG 27 HH11 ARG 27 5.368 26.704 -13.174 219 HH12 ARG 27 HH12 ARG 27 6.410 26.836 -14.552 220 HH21 ARG 27 HH21 ARG 27 7.334 23.464 -14.538 221 HH22 ARG 27 HH22 ARG 27 7.527 24.992 -15.327 222 H CYS 28 H CYS 28 5.922 22.184 -7.254 223 HA CYS 28 HA CYS 28 7.969 20.340 -7.732 224 HB2 CYS 28 HB2 CYS 28 8.201 22.192 -6.148 225 HB3 CYS 28 HB3 CYS 28 6.997 21.457 -5.093 226 H GLU 29 H GLU 29 5.125 20.061 -5.605 227 HA GLU 29 HA GLU 29 5.594 17.503 -4.638 228 HB2 GLU 29 HB2 GLU 29 2.945 18.827 -5.246 229 HB3 GLU 29 HB3 GLU 29 3.144 17.384 -4.262 230 HG2 GLU 29 HG2 GLU 29 4.209 18.556 -2.547 231 HG3 GLU 29 HG3 GLU 29 4.545 19.942 -3.582 232 H LYS 30 H LYS 30 3.631 18.443 -7.459 233 HA LYS 30 HA LYS 30 2.953 15.872 -8.302 234 HB2 LYS 30 HB2 LYS 30 3.247 18.487 -9.758 235 HB3 LYS 30 HB3 LYS 30 2.805 17.016 -10.615 236 HG2 LYS 30 HG2 LYS 30 0.957 16.837 -8.788 237 HG3 LYS 30 HG3 LYS 30 1.261 18.564 -8.588 238 HD2 LYS 30 HD2 LYS 30 0.877 17.513 -11.344 239 HD3 LYS 30 HD3 LYS 30 -0.540 17.657 -10.302 240 HE2 LYS 30 HE2 LYS 30 1.401 19.910 -10.768 241 HE3 LYS 30 HE3 LYS 30 -0.031 19.653 -11.763 242 HZ1 LYS 30 HZ1 LYS 30 -1.400 19.872 -9.783 243 HZ2 LYS 30 HZ2 LYS 30 -0.454 21.255 -10.010 244 HZ3 LYS 30 HZ3 LYS 30 -0.025 20.122 -8.830 245 H LYS 31 H LYS 31 5.672 17.929 -9.320 246 HA LYS 31 HA LYS 31 6.825 16.269 -11.198 247 HB2 LYS 31 HB2 LYS 31 7.901 18.329 -9.324 248 HB3 LYS 31 HB3 LYS 31 9.042 17.334 -10.219 249 HG2 LYS 31 HG2 LYS 31 7.965 18.043 -12.321 250 HG3 LYS 31 HG3 LYS 31 6.902 19.101 -11.389 251 HD2 LYS 31 HD2 LYS 31 9.031 20.152 -10.463 252 HD3 LYS 31 HD3 LYS 31 9.883 19.287 -11.744 253 HE2 LYS 31 HE2 LYS 31 7.509 20.954 -12.437 254 HE3 LYS 31 HE3 LYS 31 9.048 21.748 -12.106 255 HZ1 LYS 31 HZ1 LYS 31 9.256 21.395 -14.326 256 HZ2 LYS 31 HZ2 LYS 31 8.296 20.003 -14.329 257 HZ3 LYS 31 HZ3 LYS 31 9.894 19.926 -13.781 258 H CYS 32 H CYS 32 7.139 16.180 -7.683 259 HA CYS 32 HA CYS 32 9.151 14.201 -7.570 260 HB2 CYS 32 HB2 CYS 32 7.081 15.155 -5.602 261 HB3 CYS 32 HB3 CYS 32 8.186 13.842 -5.211 262 H GLU 33 H GLU 33 5.611 14.002 -7.406 263 HA GLU 33 HA GLU 33 5.499 11.198 -7.049 264 HB2 GLU 33 HB2 GLU 33 3.269 11.505 -6.938 265 HB3 GLU 33 HB3 GLU 33 3.674 13.216 -6.932 266 HG2 GLU 33 HG2 GLU 33 3.471 13.155 -9.441 267 HG3 GLU 33 HG3 GLU 33 2.792 11.538 -9.261 268 H GLU 34 H GLU 34 5.743 13.249 -9.862 269 HA GLU 34 HA GLU 34 5.067 11.213 -11.758 270 HB2 GLU 34 HB2 GLU 34 6.401 13.905 -12.049 271 HB3 GLU 34 HB3 GLU 34 6.049 12.852 -13.412 272 HG2 GLU 34 HG2 GLU 34 3.635 12.974 -12.136 273 HG3 GLU 34 HG3 GLU 34 4.284 14.592 -11.877 274 H LYS 35 H LYS 35 8.117 12.729 -10.733 275 HA LYS 35 HA LYS 35 9.788 11.129 -12.354 276 HB2 LYS 35 HB2 LYS 35 10.104 13.250 -10.501 277 HB3 LYS 35 HB3 LYS 35 11.152 11.941 -9.967 278 HG2 LYS 35 HG2 LYS 35 12.220 11.875 -12.144 279 HG3 LYS 35 HG3 LYS 35 11.136 13.140 -12.730 280 HD2 LYS 35 HD2 LYS 35 12.697 13.705 -10.270 281 HD3 LYS 35 HD3 LYS 35 13.576 13.666 -11.800 282 HE2 LYS 35 HE2 LYS 35 12.136 15.355 -12.728 283 HE3 LYS 35 HE3 LYS 35 11.098 15.310 -11.304 284 HZ1 LYS 35 HZ1 LYS 35 13.271 16.949 -11.721 285 HZ2 LYS 35 HZ2 LYS 35 13.790 15.821 -10.573 286 HZ3 LYS 35 HZ3 LYS 35 12.409 16.752 -10.278 287 H PHE 36 H PHE 36 8.034 10.414 -9.547 288 HA PHE 36 HA PHE 36 9.787 8.437 -8.450 289 HB2 PHE 36 HB2 PHE 36 7.534 9.749 -7.556 290 HB3 PHE 36 HB3 PHE 36 6.941 8.117 -7.843 291 HD1 PHE 36 HD1 PHE 36 7.860 6.224 -6.597 292 HD2 PHE 36 HD2 PHE 36 9.077 10.223 -5.795 293 HE1 PHE 36 HE1 PHE 36 8.816 5.499 -4.449 294 HE2 PHE 36 HE2 PHE 36 10.036 9.504 -3.646 295 HZ PHE 36 HZ PHE 36 9.906 7.140 -2.971 296 H GLU 37 H GLU 37 7.411 8.498 -10.957 297 HA GLU 37 HA GLU 37 6.593 5.848 -11.059 298 HB2 GLU 37 HB2 GLU 37 5.947 6.247 -13.304 299 HB3 GLU 37 HB3 GLU 37 5.761 7.782 -12.467 300 HG2 GLU 37 HG2 GLU 37 8.123 8.301 -13.343 301 HG3 GLU 37 HG3 GLU 37 7.839 6.964 -14.456 302 H ARG 38 H ARG 38 7.261 4.121 -12.506 303 HA ARG 38 HA ARG 38 10.024 3.549 -12.268 304 HB2 ARG 38 HB2 ARG 38 7.928 1.968 -12.474 305 HB3 ARG 38 HB3 ARG 38 8.278 2.071 -14.194 306 HG2 ARG 38 HG2 ARG 38 10.605 1.317 -13.681 307 HG3 ARG 38 HG3 ARG 38 10.077 1.031 -12.022 308 HD2 ARG 38 HD2 ARG 38 8.699 -0.724 -12.623 309 HD3 ARG 38 HD3 ARG 38 8.549 -0.168 -14.289 310 HE ARG 38 HE ARG 38 10.579 -1.886 -13.216 311 HH11 ARG 38 HH11 ARG 38 9.822 0.414 -15.717 312 HH12 ARG 38 HH12 ARG 38 11.008 -0.200 -16.821 313 HH21 ARG 38 HH21 ARG 38 12.144 -2.703 -14.660 314 HH22 ARG 38 HH22 ARG 38 12.328 -1.973 -16.219 315 H GLN 39 H GLN 39 7.985 4.471 -15.018 316 HA GLN 39 HA GLN 39 10.122 4.362 -16.913 317 HB2 GLN 39 HB2 GLN 39 7.276 4.877 -16.943 318 HB3 GLN 39 HB3 GLN 39 8.133 6.044 -17.942 319 HG2 GLN 39 HG2 GLN 39 8.679 3.116 -18.202 320 HG3 GLN 39 HG3 GLN 39 7.296 3.857 -19.006 321 HE21 GLN 39 HE21 GLN 39 9.337 2.618 -20.402 322 HE22 GLN 39 HE22 GLN 39 10.205 3.806 -21.307 323 H GLN 40 H GLN 40 10.328 6.500 -18.345 324 HA GLN 40 HA GLN 40 11.566 8.429 -16.587 325 HB2 GLN 40 HB2 GLN 40 12.572 9.343 -18.526 326 HB3 GLN 40 HB3 GLN 40 12.568 7.600 -18.763 327 HG2 GLN 40 HG2 GLN 40 10.560 7.823 -20.170 328 HG3 GLN 40 HG3 GLN 40 10.649 9.573 -19.979 329 HE21 GLN 40 HE21 GLN 40 12.285 10.716 -21.008 330 HE22 GLN 40 HE22 GLN 40 13.223 10.030 -22.287 331 H ARG 41 H ARG 41 11.059 10.621 -16.442 332 HA ARG 41 HA ARG 41 9.682 12.422 -16.262 333 HB2 ARG 41 HB2 ARG 41 9.220 11.389 -18.988 334 HB3 ARG 41 HB3 ARG 41 7.965 12.451 -18.365 335 HG2 ARG 41 HG2 ARG 41 9.650 14.171 -17.918 336 HG3 ARG 41 HG3 ARG 41 10.897 13.105 -18.569 337 HD2 ARG 41 HD2 ARG 41 9.697 13.078 -20.728 338 HD3 ARG 41 HD3 ARG 41 8.524 14.215 -20.064 339 HE ARG 41 HE ARG 41 11.084 15.301 -19.753 340 HH11 ARG 41 HH11 ARG 41 8.839 14.479 -22.283 341 HH12 ARG 41 HH12 ARG 41 9.411 15.703 -23.367 342 HH21 ARG 41 HH21 ARG 41 11.846 16.917 -21.171 343 HH22 ARG 41 HH22 ARG 41 11.122 17.089 -22.734 Start of MODEL 12 1 H1 SER 1 H SER 1 7.685 -5.052 -0.561 2 HA SER 1 HA SER 1 8.470 -4.487 2.160 3 HB2 SER 1 HB2 SER 1 10.409 -5.950 1.643 4 HB3 SER 1 HB3 SER 1 8.868 -6.717 1.261 5 HG SER 1 HG SER 1 10.685 -6.769 -0.360 6 H GLU 2 H GLU 2 9.481 -3.566 -1.084 7 HA GLU 2 HA GLU 2 11.752 -2.060 -0.128 8 HB2 GLU 2 HB2 GLU 2 10.534 -2.617 -2.799 9 HB3 GLU 2 HB3 GLU 2 11.621 -1.245 -2.633 10 HG2 GLU 2 HG2 GLU 2 12.473 -3.913 -1.619 11 HG3 GLU 2 HG3 GLU 2 12.527 -3.581 -3.350 12 H LYS 3 H LYS 3 8.474 -1.411 -1.224 13 HA LYS 3 HA LYS 3 7.184 0.464 -1.207 14 HB2 LYS 3 HB2 LYS 3 9.037 1.349 1.010 15 HB3 LYS 3 HB3 LYS 3 7.402 1.926 0.714 16 HG2 LYS 3 HG2 LYS 3 6.704 -0.526 1.051 17 HG3 LYS 3 HG3 LYS 3 8.300 -0.723 1.779 18 HD2 LYS 3 HD2 LYS 3 6.848 -0.247 3.572 19 HD3 LYS 3 HD3 LYS 3 7.705 1.262 3.252 20 HE2 LYS 3 HE2 LYS 3 5.820 2.154 2.072 21 HE3 LYS 3 HE3 LYS 3 4.983 0.604 2.139 22 HZ1 LYS 3 HZ1 LYS 3 4.809 0.810 4.518 23 HZ2 LYS 3 HZ2 LYS 3 4.159 2.191 3.791 24 HZ3 LYS 3 HZ3 LYS 3 5.691 2.254 4.505 25 HA PRO 4 HA PRO 4 10.315 2.804 -3.706 26 HB2 PRO 4 HB2 PRO 4 8.820 2.837 -5.972 27 HB3 PRO 4 HB3 PRO 4 9.906 1.505 -5.557 28 HG2 PRO 4 HG2 PRO 4 6.940 1.710 -5.208 29 HG3 PRO 4 HG3 PRO 4 7.907 0.341 -5.787 30 HD2 PRO 4 HD2 PRO 4 6.963 0.489 -3.253 31 HD3 PRO 4 HD3 PRO 4 8.499 -0.306 -3.655 32 H GLN 5 H GLN 5 6.974 3.177 -2.895 33 HA GLN 5 HA GLN 5 6.575 5.762 -4.004 34 HB2 GLN 5 HB2 GLN 5 4.567 5.840 -2.643 35 HB3 GLN 5 HB3 GLN 5 4.719 4.254 -3.388 36 HG2 GLN 5 HG2 GLN 5 4.124 3.670 -1.266 37 HG3 GLN 5 HG3 GLN 5 5.881 3.636 -1.130 38 HE21 GLN 5 HE21 GLN 5 3.455 6.226 -1.067 39 HE22 GLN 5 HE22 GLN 5 3.964 6.899 0.441 40 H GLN 6 H GLN 6 8.368 4.665 -1.356 41 HA GLN 6 HA GLN 6 8.083 6.678 0.534 42 HB2 GLN 6 HB2 GLN 6 10.456 4.996 -0.251 43 HB3 GLN 6 HB3 GLN 6 10.526 6.146 1.078 44 HG2 GLN 6 HG2 GLN 6 8.308 4.179 1.067 45 HG3 GLN 6 HG3 GLN 6 9.929 3.598 1.443 46 HE21 GLN 6 HE21 GLN 6 11.094 5.266 2.984 47 HE22 GLN 6 HE22 GLN 6 10.180 5.671 4.393 48 H GLU 7 H GLU 7 9.637 6.736 -2.564 49 HA GLU 7 HA GLU 7 11.202 9.088 -2.076 50 HB2 GLU 7 HB2 GLU 7 10.788 7.215 -4.256 51 HB3 GLU 7 HB3 GLU 7 10.839 8.875 -4.832 52 HG2 GLU 7 HG2 GLU 7 12.943 7.554 -3.132 53 HG3 GLU 7 HG3 GLU 7 13.037 7.804 -4.875 54 H LEU 8 H LEU 8 7.978 8.411 -3.209 55 HA LEU 8 HA LEU 8 7.493 11.014 -4.296 56 HB2 LEU 8 HB2 LEU 8 6.279 8.949 -4.973 57 HB3 LEU 8 HB3 LEU 8 5.493 8.948 -3.396 58 HG LEU 8 HG LEU 8 4.331 10.990 -3.915 59 HD11 LEU 8 HD11 LEU 8 5.841 10.962 -6.525 60 HD12 LEU 8 HD12 LEU 8 6.081 12.097 -5.198 61 HD13 LEU 8 HD13 LEU 8 4.557 12.088 -6.085 62 HD21 LEU 8 HD21 LEU 8 4.022 9.403 -6.424 63 HD22 LEU 8 HD22 LEU 8 2.789 10.123 -5.389 64 HD23 LEU 8 HD23 LEU 8 3.633 8.663 -4.871 65 H GLU 9 H GLU 9 6.665 9.379 -1.257 66 HA GLU 9 HA GLU 9 5.152 11.436 -0.118 67 HB2 GLU 9 HB2 GLU 9 5.730 10.373 2.062 68 HB3 GLU 9 HB3 GLU 9 5.129 9.241 0.858 69 HG2 GLU 9 HG2 GLU 9 7.426 8.547 0.373 70 HG3 GLU 9 HG3 GLU 9 8.015 9.665 1.602 71 H GLU 10 H GLU 10 8.634 10.837 -0.085 72 HA GLU 10 HA GLU 10 9.249 12.973 1.698 73 HB2 GLU 10 HB2 GLU 10 11.580 12.595 1.007 74 HB3 GLU 10 HB3 GLU 10 10.771 11.093 1.431 75 HG2 GLU 10 HG2 GLU 10 10.433 10.607 -0.940 76 HG3 GLU 10 HG3 GLU 10 11.257 12.107 -1.360 77 H CYS 11 H CYS 11 9.139 12.633 -1.810 78 HA CYS 11 HA CYS 11 10.314 15.079 -2.501 79 HB2 CYS 11 HB2 CYS 11 9.597 13.046 -3.978 80 HB3 CYS 11 HB3 CYS 11 8.067 13.909 -4.108 81 H GLN 12 H GLN 12 6.890 14.243 -2.017 82 HA GLN 12 HA GLN 12 5.913 16.857 -2.496 83 HB2 GLN 12 HB2 GLN 12 4.648 14.619 -0.906 84 HB3 GLN 12 HB3 GLN 12 3.818 16.042 -1.521 85 HG2 GLN 12 HG2 GLN 12 4.871 15.102 -3.805 86 HG3 GLN 12 HG3 GLN 12 4.674 13.594 -2.914 87 HE21 GLN 12 HE21 GLN 12 3.239 15.448 -5.112 88 HE22 GLN 12 HE22 GLN 12 1.577 15.110 -4.787 89 H ASN 13 H ASN 13 6.718 15.095 0.473 90 HA ASN 13 HA ASN 13 5.849 16.946 2.345 91 HB2 ASN 13 HB2 ASN 13 6.541 14.845 3.167 92 HB3 ASN 13 HB3 ASN 13 8.111 14.958 2.377 93 HD21 ASN 13 HD21 ASN 13 9.616 15.064 3.872 94 HD22 ASN 13 HD22 ASN 13 9.577 16.054 5.288 95 H VAL 14 H VAL 14 8.917 16.799 0.591 96 HA VAL 14 HA VAL 14 10.134 18.979 1.940 97 HB VAL 14 HB VAL 14 10.724 17.850 -0.799 98 HG11 VAL 14 HG11 VAL 14 12.263 19.760 0.948 99 HG12 VAL 14 HG12 VAL 14 12.970 18.900 -0.421 100 HG13 VAL 14 HG13 VAL 14 11.651 20.042 -0.681 101 HG21 VAL 14 HG21 VAL 14 11.795 16.175 0.201 102 HG22 VAL 14 HG22 VAL 14 12.649 17.281 1.277 103 HG23 VAL 14 HG23 VAL 14 11.046 16.689 1.713 104 H CYS 15 H CYS 15 8.292 18.706 -1.070 105 HA CYS 15 HA CYS 15 8.632 21.287 -2.042 106 HB2 CYS 15 HB2 CYS 15 6.293 19.390 -2.259 107 HB3 CYS 15 HB3 CYS 15 6.371 20.917 -3.132 108 H ARG 16 H ARG 16 6.262 20.046 0.277 109 HA ARG 16 HA ARG 16 4.793 22.440 0.552 110 HB2 ARG 16 HB2 ARG 16 5.160 20.220 2.572 111 HB3 ARG 16 HB3 ARG 16 3.888 21.434 2.588 112 HG2 ARG 16 HG2 ARG 16 2.707 20.423 0.936 113 HG3 ARG 16 HG3 ARG 16 4.148 19.774 0.150 114 HD2 ARG 16 HD2 ARG 16 4.347 18.259 2.210 115 HD3 ARG 16 HD3 ARG 16 2.681 18.727 2.550 116 HE ARG 16 HE ARG 16 3.116 17.741 -0.123 117 HH11 ARG 16 HH11 ARG 16 2.351 16.909 3.170 118 HH12 ARG 16 HH12 ARG 16 1.564 15.424 2.749 119 HH21 ARG 16 HH21 ARG 16 2.082 15.788 -0.689 120 HH22 ARG 16 HH22 ARG 16 1.412 14.787 0.554 121 H MET 17 H MET 17 7.882 21.516 1.675 122 HA MET 17 HA MET 17 7.902 23.433 3.864 123 HB2 MET 17 HB2 MET 17 9.748 21.305 2.885 124 HB3 MET 17 HB3 MET 17 10.430 22.629 3.819 125 HG2 MET 17 HG2 MET 17 8.375 22.002 5.405 126 HG3 MET 17 HG3 MET 17 8.651 20.431 4.657 127 HE1 MET 17 HE1 MET 17 9.798 23.297 6.595 128 HE2 MET 17 HE2 MET 17 9.849 22.246 8.010 129 HE3 MET 17 HE3 MET 17 11.347 22.883 7.330 130 H LYS 18 H LYS 18 8.064 23.739 0.657 131 HA LYS 18 HA LYS 18 10.389 25.379 0.338 132 HB2 LYS 18 HB2 LYS 18 7.949 25.012 -1.408 133 HB3 LYS 18 HB3 LYS 18 9.373 25.934 -1.872 134 HG2 LYS 18 HG2 LYS 18 9.309 22.991 -1.235 135 HG3 LYS 18 HG3 LYS 18 9.397 23.705 -2.847 136 HD2 LYS 18 HD2 LYS 18 11.453 24.019 -0.658 137 HD3 LYS 18 HD3 LYS 18 11.600 22.971 -2.071 138 HE2 LYS 18 HE2 LYS 18 11.425 25.981 -2.047 139 HE3 LYS 18 HE3 LYS 18 12.831 25.003 -2.462 140 HZ1 LYS 18 HZ1 LYS 18 11.926 25.627 -4.497 141 HZ2 LYS 18 HZ2 LYS 18 10.332 25.368 -3.994 142 HZ3 LYS 18 HZ3 LYS 18 11.353 24.050 -4.282 143 H ARG 19 H ARG 19 10.615 27.418 0.955 144 HA ARG 19 HA ARG 19 8.260 28.948 1.738 145 HB2 ARG 19 HB2 ARG 19 9.843 30.492 2.775 146 HB3 ARG 19 HB3 ARG 19 10.155 28.841 3.293 147 HG2 ARG 19 HG2 ARG 19 11.912 28.799 1.423 148 HG3 ARG 19 HG3 ARG 19 11.746 30.556 1.428 149 HD2 ARG 19 HD2 ARG 19 12.506 28.821 3.775 150 HD3 ARG 19 HD3 ARG 19 13.589 29.864 2.855 151 HE ARG 19 HE ARG 19 11.553 31.481 3.794 152 HH11 ARG 19 HH11 ARG 19 14.050 29.462 5.138 153 HH12 ARG 19 HH12 ARG 19 14.222 30.409 6.579 154 HH21 ARG 19 HH21 ARG 19 11.769 32.736 5.686 155 HH22 ARG 19 HH22 ARG 19 12.923 32.271 6.890 156 H TRP 20 H TRP 20 8.384 28.589 -0.983 157 HA TRP 20 HA TRP 20 9.437 31.104 -2.063 158 HB2 TRP 20 HB2 TRP 20 8.620 28.499 -3.322 159 HB3 TRP 20 HB3 TRP 20 8.770 29.963 -4.289 160 HD1 TRP 20 HD1 TRP 20 11.227 29.239 -1.446 161 HE1 TRP 20 HE1 TRP 20 13.558 28.831 -2.459 162 HE3 TRP 20 HE3 TRP 20 9.960 29.174 -6.399 163 HZ2 TRP 20 HZ2 TRP 20 14.708 28.523 -5.019 164 HZ3 TRP 20 HZ3 TRP 20 11.735 28.817 -8.065 165 HH2 TRP 20 HH2 TRP 20 14.059 28.499 -7.388 166 H SER 21 H SER 21 6.539 29.095 -2.619 167 HA SER 21 HA SER 21 4.688 31.108 -1.958 168 HB2 SER 21 HB2 SER 21 3.880 31.735 -4.187 169 HB3 SER 21 HB3 SER 21 5.569 32.199 -3.987 170 HG SER 21 HG SER 21 5.456 31.209 -5.942 171 H THR 22 H THR 22 2.545 30.399 -2.107 172 HA THR 22 HA THR 22 2.065 27.699 -1.826 173 HB THR 22 HB THR 22 0.434 29.305 -1.069 174 HG1 THR 22 HG1 THR 22 -0.260 27.156 -1.872 175 HG21 THR 22 HG21 THR 22 0.825 30.901 -2.991 176 HG22 THR 22 HG22 THR 22 -0.857 30.695 -2.500 177 HG23 THR 22 HG23 THR 22 -0.254 29.884 -3.945 178 H GLU 23 H GLU 23 1.888 29.674 -4.750 179 HA GLU 23 HA GLU 23 0.740 27.767 -6.451 180 HB2 GLU 23 HB2 GLU 23 2.415 30.206 -6.852 181 HB3 GLU 23 HB3 GLU 23 2.164 29.128 -8.218 182 HG2 GLU 23 HG2 GLU 23 -0.192 29.432 -8.127 183 HG3 GLU 23 HG3 GLU 23 -0.080 30.291 -6.592 184 H MET 24 H MET 24 4.136 28.448 -5.693 185 HA MET 24 HA MET 24 5.242 26.573 -7.489 186 HB2 MET 24 HB2 MET 24 6.269 27.945 -5.022 187 HB3 MET 24 HB3 MET 24 7.233 26.721 -5.837 188 HG2 MET 24 HG2 MET 24 6.120 29.092 -7.294 189 HG3 MET 24 HG3 MET 24 7.657 29.156 -6.434 190 HE1 MET 24 HE1 MET 24 6.613 28.260 -10.391 191 HE2 MET 24 HE2 MET 24 6.562 29.619 -9.268 192 HE3 MET 24 HE3 MET 24 8.027 29.297 -10.198 193 H VAL 25 H VAL 25 4.081 26.321 -4.186 194 HA VAL 25 HA VAL 25 5.161 23.804 -3.554 195 HB VAL 25 HB VAL 25 2.546 24.935 -2.552 196 HG11 VAL 25 HG11 VAL 25 2.843 22.602 -1.989 197 HG12 VAL 25 HG12 VAL 25 4.465 22.927 -1.374 198 HG13 VAL 25 HG13 VAL 25 3.056 23.592 -0.546 199 HG21 VAL 25 HG21 VAL 25 5.214 25.921 -2.238 200 HG22 VAL 25 HG22 VAL 25 3.707 26.566 -1.589 201 HG23 VAL 25 HG23 VAL 25 4.609 25.352 -0.682 202 H HIS 26 H HIS 26 1.884 24.637 -4.691 203 HA HIS 26 HA HIS 26 0.915 22.044 -4.953 204 HB2 HIS 26 HB2 HIS 26 0.207 24.684 -6.120 205 HB3 HIS 26 HB3 HIS 26 -0.453 23.257 -6.913 206 HD1 HIS 26 HD1 HIS 26 -2.617 22.496 -6.003 207 HD2 HIS 26 HD2 HIS 26 -0.421 24.615 -3.185 208 HE1 HIS 26 HE1 HIS 26 -4.098 22.654 -3.977 209 H ARG 27 H ARG 27 2.542 24.080 -7.370 210 HA ARG 27 HA ARG 27 2.425 22.247 -9.492 211 HB2 ARG 27 HB2 ARG 27 2.956 24.530 -9.961 212 HB3 ARG 27 HB3 ARG 27 4.346 24.492 -8.884 213 HG2 ARG 27 HG2 ARG 27 5.443 22.890 -10.400 214 HG3 ARG 27 HG3 ARG 27 4.066 23.021 -11.496 215 HD2 ARG 27 HD2 ARG 27 4.575 25.202 -12.082 216 HD3 ARG 27 HD3 ARG 27 5.516 25.482 -10.618 217 HE ARG 27 HE ARG 27 7.363 24.629 -11.676 218 HH11 ARG 27 HH11 ARG 27 4.512 23.849 -13.516 219 HH12 ARG 27 HH12 ARG 27 5.397 23.248 -14.879 220 HH21 ARG 27 HH21 ARG 27 8.540 23.840 -13.464 221 HH22 ARG 27 HH22 ARG 27 7.688 23.243 -14.848 222 H CYS 28 H CYS 28 4.844 22.744 -6.960 223 HA CYS 28 HA CYS 28 6.784 20.964 -7.924 224 HB2 CYS 28 HB2 CYS 28 7.127 22.632 -6.095 225 HB3 CYS 28 HB3 CYS 28 6.181 21.599 -5.029 226 H GLU 29 H GLU 29 4.221 20.436 -5.503 227 HA GLU 29 HA GLU 29 4.706 17.769 -4.956 228 HB2 GLU 29 HB2 GLU 29 2.075 19.250 -5.060 229 HB3 GLU 29 HB3 GLU 29 2.269 17.640 -4.382 230 HG2 GLU 29 HG2 GLU 29 4.085 18.763 -2.907 231 HG3 GLU 29 HG3 GLU 29 3.261 20.256 -3.351 232 H LYS 30 H LYS 30 2.365 19.052 -7.323 233 HA LYS 30 HA LYS 30 1.595 16.623 -8.432 234 HB2 LYS 30 HB2 LYS 30 1.696 19.420 -9.525 235 HB3 LYS 30 HB3 LYS 30 1.159 18.080 -10.529 236 HG2 LYS 30 HG2 LYS 30 -0.560 17.566 -8.800 237 HG3 LYS 30 HG3 LYS 30 -0.081 19.044 -7.963 238 HD2 LYS 30 HD2 LYS 30 -0.553 20.260 -10.138 239 HD3 LYS 30 HD3 LYS 30 -1.316 18.768 -10.694 240 HE2 LYS 30 HE2 LYS 30 -2.092 20.265 -8.194 241 HE3 LYS 30 HE3 LYS 30 -2.915 20.415 -9.746 242 HZ1 LYS 30 HZ1 LYS 30 -3.075 17.837 -9.516 243 HZ2 LYS 30 HZ2 LYS 30 -4.186 18.837 -8.725 244 HZ3 LYS 30 HZ3 LYS 30 -2.894 18.164 -7.866 245 H LYS 31 H LYS 31 4.344 18.691 -9.197 246 HA LYS 31 HA LYS 31 5.189 17.383 -11.533 247 HB2 LYS 31 HB2 LYS 31 6.466 19.177 -9.527 248 HB3 LYS 31 HB3 LYS 31 7.521 18.292 -10.621 249 HG2 LYS 31 HG2 LYS 31 5.216 19.878 -11.679 250 HG3 LYS 31 HG3 LYS 31 6.743 20.662 -11.267 251 HD2 LYS 31 HD2 LYS 31 6.596 18.268 -13.083 252 HD3 LYS 31 HD3 LYS 31 6.445 19.921 -13.683 253 HE2 LYS 31 HE2 LYS 31 8.786 18.815 -12.133 254 HE3 LYS 31 HE3 LYS 31 8.742 19.081 -13.875 255 HZ1 LYS 31 HZ1 LYS 31 9.458 21.125 -13.480 256 HZ2 LYS 31 HZ2 LYS 31 9.312 20.928 -11.807 257 HZ3 LYS 31 HZ3 LYS 31 7.991 21.471 -12.712 258 H CYS 32 H CYS 32 5.953 16.817 -8.125 259 HA CYS 32 HA CYS 32 7.901 14.818 -8.552 260 HB2 CYS 32 HB2 CYS 32 6.149 15.527 -6.208 261 HB3 CYS 32 HB3 CYS 32 7.256 14.160 -6.147 262 H GLU 33 H GLU 33 4.398 14.705 -8.173 263 HA GLU 33 HA GLU 33 4.260 11.847 -8.100 264 HB2 GLU 33 HB2 GLU 33 2.088 12.163 -7.608 265 HB3 GLU 33 HB3 GLU 33 2.527 13.859 -7.454 266 HG2 GLU 33 HG2 GLU 33 1.952 14.124 -9.882 267 HG3 GLU 33 HG3 GLU 33 1.295 12.490 -9.827 268 H GLU 34 H GLU 34 4.163 14.293 -10.590 269 HA GLU 34 HA GLU 34 3.176 12.563 -12.647 270 HB2 GLU 34 HB2 GLU 34 4.465 15.285 -12.667 271 HB3 GLU 34 HB3 GLU 34 4.046 14.444 -14.152 272 HG2 GLU 34 HG2 GLU 34 1.752 14.324 -12.572 273 HG3 GLU 34 HG3 GLU 34 2.377 15.960 -12.370 274 H LYS 35 H LYS 35 6.378 13.883 -11.841 275 HA LYS 35 HA LYS 35 7.767 12.545 -13.904 276 HB2 LYS 35 HB2 LYS 35 8.398 14.303 -11.740 277 HB3 LYS 35 HB3 LYS 35 9.510 12.942 -11.695 278 HG2 LYS 35 HG2 LYS 35 10.662 14.318 -13.083 279 HG3 LYS 35 HG3 LYS 35 9.686 13.463 -14.281 280 HD2 LYS 35 HD2 LYS 35 8.642 15.971 -13.035 281 HD3 LYS 35 HD3 LYS 35 9.836 16.070 -14.331 282 HE2 LYS 35 HE2 LYS 35 7.249 14.536 -14.528 283 HE3 LYS 35 HE3 LYS 35 7.457 16.194 -15.091 284 HZ1 LYS 35 HZ1 LYS 35 8.652 13.719 -16.156 285 HZ2 LYS 35 HZ2 LYS 35 9.397 15.212 -16.431 286 HZ3 LYS 35 HZ3 LYS 35 7.820 14.940 -16.980 287 H PHE 36 H PHE 36 6.390 11.411 -11.026 288 HA PHE 36 HA PHE 36 8.218 9.275 -10.499 289 HB2 PHE 36 HB2 PHE 36 6.138 10.445 -9.116 290 HB3 PHE 36 HB3 PHE 36 5.475 8.877 -9.561 291 HD1 PHE 36 HD1 PHE 36 6.528 6.813 -8.766 292 HD2 PHE 36 HD2 PHE 36 7.899 10.645 -7.520 293 HE1 PHE 36 HE1 PHE 36 7.748 5.766 -6.903 294 HE2 PHE 36 HE2 PHE 36 9.123 9.604 -5.656 295 HZ PHE 36 HZ PHE 36 9.049 7.162 -5.346 296 H GLU 37 H GLU 37 5.611 9.762 -12.682 297 HA GLU 37 HA GLU 37 4.840 7.059 -13.056 298 HB2 GLU 37 HB2 GLU 37 3.293 8.659 -13.808 299 HB3 GLU 37 HB3 GLU 37 4.519 9.563 -14.685 300 HG2 GLU 37 HG2 GLU 37 3.068 8.401 -16.223 301 HG3 GLU 37 HG3 GLU 37 4.701 7.743 -16.307 302 H ARG 38 H ARG 38 7.522 8.922 -14.138 303 HA ARG 38 HA ARG 38 8.563 6.604 -15.560 304 HB2 ARG 38 HB2 ARG 38 7.815 9.174 -16.840 305 HB3 ARG 38 HB3 ARG 38 9.351 8.470 -17.326 306 HG2 ARG 38 HG2 ARG 38 7.897 6.299 -17.604 307 HG3 ARG 38 HG3 ARG 38 6.586 7.471 -17.751 308 HD2 ARG 38 HD2 ARG 38 7.960 8.633 -19.505 309 HD3 ARG 38 HD3 ARG 38 9.067 7.262 -19.445 310 HE ARG 38 HE ARG 38 6.465 7.342 -20.673 311 HH11 ARG 38 HH11 ARG 38 8.941 5.308 -19.312 312 HH12 ARG 38 HH12 ARG 38 8.443 3.896 -20.183 313 HH21 ARG 38 HH21 ARG 38 5.799 5.489 -21.825 314 HH22 ARG 38 HH22 ARG 38 6.656 4.000 -21.613 315 H GLN 39 H GLN 39 10.304 6.288 -14.303 316 HA GLN 39 HA GLN 39 12.390 8.296 -14.336 317 HB2 GLN 39 HB2 GLN 39 10.697 8.212 -12.137 318 HB3 GLN 39 HB3 GLN 39 12.096 7.277 -11.624 319 HG2 GLN 39 HG2 GLN 39 13.533 9.078 -11.808 320 HG3 GLN 39 HG3 GLN 39 12.461 9.950 -12.903 321 HE21 GLN 39 HE21 GLN 39 12.799 11.759 -11.483 322 HE22 GLN 39 HE22 GLN 39 11.872 11.897 -10.032 323 H GLN 40 H GLN 40 14.446 7.451 -13.450 324 HA GLN 40 HA GLN 40 14.876 4.775 -14.364 325 HB2 GLN 40 HB2 GLN 40 17.162 5.199 -14.104 326 HB3 GLN 40 HB3 GLN 40 16.489 6.774 -14.503 327 HG2 GLN 40 HG2 GLN 40 17.210 5.798 -11.749 328 HG3 GLN 40 HG3 GLN 40 18.125 6.947 -12.724 329 HE21 GLN 40 HE21 GLN 40 16.100 6.729 -10.205 330 HE22 GLN 40 HE22 GLN 40 15.344 8.281 -10.278 331 H ARG 41 H ARG 41 16.374 3.343 -12.915 332 HA ARG 41 HA ARG 41 14.825 2.715 -10.564 333 HB2 ARG 41 HB2 ARG 41 16.876 1.378 -12.207 334 HB3 ARG 41 HB3 ARG 41 16.924 0.983 -10.494 335 HG2 ARG 41 HG2 ARG 41 14.501 0.406 -10.636 336 HG3 ARG 41 HG3 ARG 41 14.611 0.628 -12.383 337 HD2 ARG 41 HD2 ARG 41 16.626 -1.039 -12.142 338 HD3 ARG 41 HD3 ARG 41 15.796 -1.491 -10.653 339 HE ARG 41 HE ARG 41 15.001 -2.123 -13.326 340 HH11 ARG 41 HH11 ARG 41 13.836 -1.525 -10.100 341 HH12 ARG 41 HH12 ARG 41 12.387 -2.452 -10.312 342 HH21 ARG 41 HH21 ARG 41 13.098 -3.345 -13.617 343 HH22 ARG 41 HH22 ARG 41 11.969 -3.488 -12.312 Start of MODEL 13 1 H1 SER 1 H SER 1 5.409 0.991 4.960 2 HA SER 1 HA SER 1 6.911 3.087 6.140 3 HB2 SER 1 HB2 SER 1 5.932 1.561 7.652 4 HB3 SER 1 HB3 SER 1 6.568 0.163 6.785 5 HG SER 1 HG SER 1 7.839 1.883 8.582 6 H GLU 2 H GLU 2 7.919 -0.045 4.766 7 HA GLU 2 HA GLU 2 10.619 1.085 4.423 8 HB2 GLU 2 HB2 GLU 2 10.170 -1.003 5.935 9 HB3 GLU 2 HB3 GLU 2 10.073 -1.861 4.404 10 HG2 GLU 2 HG2 GLU 2 12.296 -2.031 5.330 11 HG3 GLU 2 HG3 GLU 2 12.324 -1.101 3.833 12 H LYS 3 H LYS 3 8.265 1.264 2.617 13 HA LYS 3 HA LYS 3 8.944 -0.426 0.365 14 HB2 LYS 3 HB2 LYS 3 6.769 1.474 1.042 15 HB3 LYS 3 HB3 LYS 3 7.152 1.297 -0.665 16 HG2 LYS 3 HG2 LYS 3 6.617 -0.993 -0.656 17 HG3 LYS 3 HG3 LYS 3 6.610 -1.064 1.107 18 HD2 LYS 3 HD2 LYS 3 4.697 0.694 -0.395 19 HD3 LYS 3 HD3 LYS 3 4.349 -1.014 -0.115 20 HE2 LYS 3 HE2 LYS 3 4.124 -0.735 2.152 21 HE3 LYS 3 HE3 LYS 3 5.184 0.673 2.193 22 HZ1 LYS 3 HZ1 LYS 3 3.250 1.767 2.397 23 HZ2 LYS 3 HZ2 LYS 3 2.329 0.521 1.721 24 HZ3 LYS 3 HZ3 LYS 3 3.165 1.595 0.716 25 HA PRO 4 HA PRO 4 11.577 2.317 -1.823 26 HB2 PRO 4 HB2 PRO 4 10.752 2.004 -4.390 27 HB3 PRO 4 HB3 PRO 4 11.646 0.759 -3.510 28 HG2 PRO 4 HG2 PRO 4 8.703 0.980 -4.012 29 HG3 PRO 4 HG3 PRO 4 9.750 -0.448 -4.106 30 HD2 PRO 4 HD2 PRO 4 8.162 0.056 -1.971 31 HD3 PRO 4 HD3 PRO 4 9.725 -0.772 -1.824 32 H GLN 5 H GLN 5 8.130 2.716 -2.199 33 HA GLN 5 HA GLN 5 8.456 5.384 -3.337 34 HB2 GLN 5 HB2 GLN 5 6.082 5.361 -3.708 35 HB3 GLN 5 HB3 GLN 5 6.739 3.822 -4.250 36 HG2 GLN 5 HG2 GLN 5 6.069 2.914 -1.973 37 HG3 GLN 5 HG3 GLN 5 5.136 4.398 -1.784 38 HE21 GLN 5 HE21 GLN 5 5.388 1.354 -3.392 39 HE22 GLN 5 HE22 GLN 5 3.839 1.389 -4.157 40 H GLN 6 H GLN 6 9.109 4.550 -0.494 41 HA GLN 6 HA GLN 6 7.199 6.041 1.091 42 HB2 GLN 6 HB2 GLN 6 8.457 3.934 1.835 43 HB3 GLN 6 HB3 GLN 6 9.853 4.984 2.043 44 HG2 GLN 6 HG2 GLN 6 7.245 5.630 3.355 45 HG3 GLN 6 HG3 GLN 6 8.359 4.468 4.072 46 HE21 GLN 6 HE21 GLN 6 7.416 7.238 4.816 47 HE22 GLN 6 HE22 GLN 6 8.873 8.109 5.138 48 H GLU 7 H GLU 7 10.261 6.560 -0.445 49 HA GLU 7 HA GLU 7 11.048 8.833 1.082 50 HB2 GLU 7 HB2 GLU 7 12.013 7.388 -1.274 51 HB3 GLU 7 HB3 GLU 7 12.289 9.122 -1.360 52 HG2 GLU 7 HG2 GLU 7 13.474 9.065 0.753 53 HG3 GLU 7 HG3 GLU 7 13.148 7.340 0.908 54 H LEU 8 H LEU 8 9.105 8.342 -1.789 55 HA LEU 8 HA LEU 8 9.032 10.926 -2.809 56 HB2 LEU 8 HB2 LEU 8 8.073 8.913 -3.888 57 HB3 LEU 8 HB3 LEU 8 6.753 8.955 -2.721 58 HG LEU 8 HG LEU 8 5.971 11.059 -3.633 59 HD11 LEU 8 HD11 LEU 8 8.155 11.988 -4.252 60 HD12 LEU 8 HD12 LEU 8 7.001 12.073 -5.582 61 HD13 LEU 8 HD13 LEU 8 8.259 10.838 -5.585 62 HD21 LEU 8 HD21 LEU 8 4.798 9.683 -4.932 63 HD22 LEU 8 HD22 LEU 8 6.173 8.602 -5.158 64 HD23 LEU 8 HD23 LEU 8 5.981 10.014 -6.197 65 H GLU 9 H GLU 9 6.922 9.432 -0.367 66 HA GLU 9 HA GLU 9 5.181 11.525 0.082 67 HB2 GLU 9 HB2 GLU 9 6.266 9.360 1.846 68 HB3 GLU 9 HB3 GLU 9 5.231 10.604 2.533 69 HG2 GLU 9 HG2 GLU 9 3.445 10.014 1.030 70 HG3 GLU 9 HG3 GLU 9 4.482 8.851 0.205 71 H GLU 10 H GLU 10 8.463 11.088 1.258 72 HA GLU 10 HA GLU 10 8.408 13.262 3.098 73 HB2 GLU 10 HB2 GLU 10 10.842 12.067 1.770 74 HB3 GLU 10 HB3 GLU 10 10.782 12.949 3.289 75 HG2 GLU 10 HG2 GLU 10 9.191 11.040 4.035 76 HG3 GLU 10 HG3 GLU 10 9.907 10.162 2.685 77 H CYS 11 H CYS 11 9.453 12.896 -0.258 78 HA CYS 11 HA CYS 11 10.586 15.453 -0.566 79 HB2 CYS 11 HB2 CYS 11 10.654 13.345 -2.118 80 HB3 CYS 11 HB3 CYS 11 9.212 14.056 -2.835 81 H GLN 12 H GLN 12 7.343 14.252 -1.421 82 HA GLN 12 HA GLN 12 6.347 16.745 -2.289 83 HB2 GLN 12 HB2 GLN 12 4.787 14.404 -1.184 84 HB3 GLN 12 HB3 GLN 12 4.147 15.709 -2.174 85 HG2 GLN 12 HG2 GLN 12 6.003 14.879 -3.852 86 HG3 GLN 12 HG3 GLN 12 5.812 13.378 -2.947 87 HE21 GLN 12 HE21 GLN 12 4.699 15.172 -5.507 88 HE22 GLN 12 HE22 GLN 12 3.192 14.370 -5.770 89 H ASN 13 H ASN 13 6.245 15.095 0.838 90 HA ASN 13 HA ASN 13 4.525 16.802 2.195 91 HB2 ASN 13 HB2 ASN 13 5.181 14.758 3.239 92 HB3 ASN 13 HB3 ASN 13 6.887 15.193 3.168 93 HD21 ASN 13 HD21 ASN 13 7.483 15.309 5.225 94 HD22 ASN 13 HD22 ASN 13 6.721 16.281 6.434 95 H VAL 14 H VAL 14 7.998 17.081 1.619 96 HA VAL 14 HA VAL 14 8.363 19.399 3.231 97 HB VAL 14 HB VAL 14 10.059 18.357 0.958 98 HG11 VAL 14 HG11 VAL 14 10.547 20.480 3.030 99 HG12 VAL 14 HG12 VAL 14 11.857 19.677 2.162 100 HG13 VAL 14 HG13 VAL 14 10.656 20.617 1.276 101 HG21 VAL 14 HG21 VAL 14 9.565 17.252 3.475 102 HG22 VAL 14 HG22 VAL 14 10.854 16.817 2.353 103 HG23 VAL 14 HG23 VAL 14 11.145 18.024 3.605 104 H CYS 15 H CYS 15 7.738 18.863 -0.204 105 HA CYS 15 HA CYS 15 8.119 21.465 -1.130 106 HB2 CYS 15 HB2 CYS 15 6.214 19.321 -2.087 107 HB3 CYS 15 HB3 CYS 15 6.543 20.810 -2.968 108 H ARG 16 H ARG 16 5.261 19.938 0.285 109 HA ARG 16 HA ARG 16 3.493 22.100 -0.132 110 HB2 ARG 16 HB2 ARG 16 3.408 19.969 2.012 111 HB3 ARG 16 HB3 ARG 16 2.069 21.007 1.539 112 HG2 ARG 16 HG2 ARG 16 1.645 19.835 -0.353 113 HG3 ARG 16 HG3 ARG 16 3.338 19.400 -0.595 114 HD2 ARG 16 HD2 ARG 16 3.032 17.928 1.496 115 HD3 ARG 16 HD3 ARG 16 1.305 18.136 1.210 116 HE ARG 16 HE ARG 16 3.121 16.502 -0.292 117 HH11 ARG 16 HH11 ARG 16 0.138 18.293 -0.407 118 HH12 ARG 16 HH12 ARG 16 -0.523 17.360 -1.709 119 HH21 ARG 16 HH21 ARG 16 2.261 15.266 -2.006 120 HH22 ARG 16 HH22 ARG 16 0.685 15.638 -2.616 121 H MET 17 H MET 17 6.118 21.719 1.978 122 HA MET 17 HA MET 17 5.097 23.636 3.928 123 HB2 MET 17 HB2 MET 17 7.414 21.761 3.819 124 HB3 MET 17 HB3 MET 17 7.550 23.189 4.836 125 HG2 MET 17 HG2 MET 17 5.141 22.304 5.616 126 HG3 MET 17 HG3 MET 17 5.892 20.777 5.160 127 HE1 MET 17 HE1 MET 17 5.572 23.157 8.371 128 HE2 MET 17 HE2 MET 17 4.705 21.743 7.771 129 HE3 MET 17 HE3 MET 17 5.830 21.581 9.121 130 H LYS 18 H LYS 18 6.251 23.953 0.974 131 HA LYS 18 HA LYS 18 8.387 25.826 1.329 132 HB2 LYS 18 HB2 LYS 18 6.654 25.187 -1.064 133 HB3 LYS 18 HB3 LYS 18 8.034 26.276 -1.108 134 HG2 LYS 18 HG2 LYS 18 8.207 23.385 -0.294 135 HG3 LYS 18 HG3 LYS 18 8.496 23.973 -1.933 136 HD2 LYS 18 HD2 LYS 18 9.979 25.347 0.219 137 HD3 LYS 18 HD3 LYS 18 10.436 23.670 -0.087 138 HE2 LYS 18 HE2 LYS 18 11.830 24.908 -1.494 139 HE3 LYS 18 HE3 LYS 18 10.539 24.346 -2.554 140 HZ1 LYS 18 HZ1 LYS 18 11.361 26.907 -2.327 141 HZ2 LYS 18 HZ2 LYS 18 10.002 26.890 -1.320 142 HZ3 LYS 18 HZ3 LYS 18 9.860 26.422 -2.940 143 H ARG 19 H ARG 19 8.202 27.870 1.939 144 HA ARG 19 HA ARG 19 5.582 29.154 1.881 145 HB2 ARG 19 HB2 ARG 19 8.178 29.769 3.270 146 HB3 ARG 19 HB3 ARG 19 6.893 30.965 3.174 147 HG2 ARG 19 HG2 ARG 19 5.370 29.341 4.267 148 HG3 ARG 19 HG3 ARG 19 6.743 28.250 4.464 149 HD2 ARG 19 HD2 ARG 19 6.920 31.061 5.460 150 HD3 ARG 19 HD3 ARG 19 6.051 29.852 6.404 151 HE ARG 19 HE ARG 19 8.571 28.832 5.704 152 HH11 ARG 19 HH11 ARG 19 7.133 31.263 7.738 153 HH12 ARG 19 HH12 ARG 19 8.406 31.221 8.912 154 HH21 ARG 19 HH21 ARG 19 10.254 28.766 7.242 155 HH22 ARG 19 HH22 ARG 19 10.182 29.801 8.628 156 H TRP 20 H TRP 20 6.669 28.817 -0.639 157 HA TRP 20 HA TRP 20 7.677 31.480 -1.367 158 HB2 TRP 20 HB2 TRP 20 8.049 28.764 -2.470 159 HB3 TRP 20 HB3 TRP 20 7.870 30.047 -3.664 160 HD1 TRP 20 HD1 TRP 20 10.014 31.324 -4.256 161 HE1 TRP 20 HE1 TRP 20 12.366 31.539 -3.232 162 HE3 TRP 20 HE3 TRP 20 9.257 28.709 0.072 163 HZ2 TRP 20 HZ2 TRP 20 13.721 30.710 -0.899 164 HZ3 TRP 20 HZ3 TRP 20 11.133 28.466 1.646 165 HH2 TRP 20 HH2 TRP 20 13.318 29.446 1.168 166 H SER 21 H SER 21 5.575 29.013 -2.864 167 HA SER 21 HA SER 21 3.301 30.654 -3.035 168 HB2 SER 21 HB2 SER 21 3.312 31.138 -5.468 169 HB3 SER 21 HB3 SER 21 4.608 31.975 -4.614 170 HG SER 21 HG SER 21 5.469 31.047 -6.450 171 H THR 22 H THR 22 1.554 29.654 -4.196 172 HA THR 22 HA THR 22 1.359 26.920 -3.895 173 HB THR 22 HB THR 22 -0.641 28.217 -4.141 174 HG1 THR 22 HG1 THR 22 -1.357 26.378 -4.916 175 HG21 THR 22 HG21 THR 22 -1.274 29.366 -6.148 176 HG22 THR 22 HG22 THR 22 0.125 28.731 -7.014 177 HG23 THR 22 HG23 THR 22 0.349 29.898 -5.710 178 H GLU 23 H GLU 23 2.256 28.753 -6.789 179 HA GLU 23 HA GLU 23 2.327 26.664 -8.625 180 HB2 GLU 23 HB2 GLU 23 3.892 29.227 -8.420 181 HB3 GLU 23 HB3 GLU 23 4.140 28.103 -9.749 182 HG2 GLU 23 HG2 GLU 23 1.820 28.324 -10.407 183 HG3 GLU 23 HG3 GLU 23 1.514 29.389 -9.037 184 H MET 24 H MET 24 4.850 27.822 -6.419 185 HA MET 24 HA MET 24 6.876 26.070 -7.306 186 HB2 MET 24 HB2 MET 24 6.430 27.748 -4.882 187 HB3 MET 24 HB3 MET 24 7.682 26.515 -4.816 188 HG2 MET 24 HG2 MET 24 8.278 27.686 -7.169 189 HG3 MET 24 HG3 MET 24 7.596 29.053 -6.292 190 HE1 MET 24 HE1 MET 24 11.729 28.780 -6.304 191 HE2 MET 24 HE2 MET 24 10.897 27.467 -7.137 192 HE3 MET 24 HE3 MET 24 10.389 29.137 -7.394 193 H VAL 25 H VAL 25 4.363 25.770 -4.855 194 HA VAL 25 HA VAL 25 5.292 23.364 -3.695 195 HB VAL 25 HB VAL 25 2.474 24.447 -3.824 196 HG11 VAL 25 HG11 VAL 25 3.706 22.277 -2.136 197 HG12 VAL 25 HG12 VAL 25 2.146 23.028 -1.789 198 HG13 VAL 25 HG13 VAL 25 2.378 22.123 -3.286 199 HG21 VAL 25 HG21 VAL 25 4.334 25.853 -2.752 200 HG22 VAL 25 HG22 VAL 25 2.879 25.548 -1.802 201 HG23 VAL 25 HG23 VAL 25 4.348 24.624 -1.487 202 H HIS 26 H HIS 26 2.798 23.985 -6.160 203 HA HIS 26 HA HIS 26 2.141 21.291 -6.625 204 HB2 HIS 26 HB2 HIS 26 1.001 23.546 -7.399 205 HB3 HIS 26 HB3 HIS 26 1.980 23.291 -8.841 206 HD1 HIS 26 HD1 HIS 26 0.392 22.455 -10.549 207 HD2 HIS 26 HD2 HIS 26 -0.157 20.597 -6.873 208 HE1 HIS 26 HE1 HIS 26 -1.350 20.684 -10.944 209 H ARG 27 H ARG 27 4.414 23.457 -8.286 210 HA ARG 27 HA ARG 27 5.253 21.608 -10.235 211 HB2 ARG 27 HB2 ARG 27 5.657 24.024 -10.418 212 HB3 ARG 27 HB3 ARG 27 6.761 23.946 -9.051 213 HG2 ARG 27 HG2 ARG 27 7.952 22.149 -10.585 214 HG3 ARG 27 HG3 ARG 27 7.144 23.070 -11.855 215 HD2 ARG 27 HD2 ARG 27 8.781 24.567 -11.745 216 HD3 ARG 27 HD3 ARG 27 8.259 24.962 -10.109 217 HE ARG 27 HE ARG 27 10.047 23.782 -9.279 218 HH11 ARG 27 HH11 ARG 27 9.667 23.099 -12.672 219 HH12 ARG 27 HH12 ARG 27 11.175 22.255 -12.804 220 HH21 ARG 27 HH21 ARG 27 12.034 22.673 -9.441 221 HH22 ARG 27 HH22 ARG 27 12.520 22.013 -10.965 222 H CYS 28 H CYS 28 6.613 22.458 -7.066 223 HA CYS 28 HA CYS 28 8.872 20.825 -7.151 224 HB2 CYS 28 HB2 CYS 28 8.488 22.546 -5.428 225 HB3 CYS 28 HB3 CYS 28 7.201 21.561 -4.739 226 H GLU 29 H GLU 29 5.661 20.117 -5.778 227 HA GLU 29 HA GLU 29 6.120 17.537 -4.909 228 HB2 GLU 29 HB2 GLU 29 3.645 18.849 -6.014 229 HB3 GLU 29 HB3 GLU 29 3.631 17.192 -5.427 230 HG2 GLU 29 HG2 GLU 29 4.422 17.994 -3.235 231 HG3 GLU 29 HG3 GLU 29 4.328 19.648 -3.835 232 H LYS 30 H LYS 30 4.720 18.461 -8.059 233 HA LYS 30 HA LYS 30 4.656 15.925 -9.189 234 HB2 LYS 30 HB2 LYS 30 4.762 18.698 -10.284 235 HB3 LYS 30 HB3 LYS 30 5.017 17.357 -11.393 236 HG2 LYS 30 HG2 LYS 30 2.825 16.437 -10.290 237 HG3 LYS 30 HG3 LYS 30 2.574 18.137 -9.886 238 HD2 LYS 30 HD2 LYS 30 3.137 18.527 -12.402 239 HD3 LYS 30 HD3 LYS 30 2.715 16.821 -12.569 240 HE2 LYS 30 HE2 LYS 30 0.870 18.647 -11.097 241 HE3 LYS 30 HE3 LYS 30 0.897 18.690 -12.859 242 HZ1 LYS 30 HZ1 LYS 30 -0.668 17.097 -12.523 243 HZ2 LYS 30 HZ2 LYS 30 0.002 16.560 -11.065 244 HZ3 LYS 30 HZ3 LYS 30 0.703 16.105 -12.536 245 H LYS 31 H LYS 31 7.232 18.369 -9.343 246 HA LYS 31 HA LYS 31 9.012 17.081 -11.008 247 HB2 LYS 31 HB2 LYS 31 9.346 18.979 -8.720 248 HB3 LYS 31 HB3 LYS 31 10.776 18.249 -9.439 249 HG2 LYS 31 HG2 LYS 31 8.706 19.730 -11.039 250 HG3 LYS 31 HG3 LYS 31 10.127 20.504 -10.333 251 HD2 LYS 31 HD2 LYS 31 10.353 18.104 -12.127 252 HD3 LYS 31 HD3 LYS 31 10.283 19.745 -12.771 253 HE2 LYS 31 HE2 LYS 31 12.340 20.306 -11.937 254 HE3 LYS 31 HE3 LYS 31 12.227 19.167 -10.596 255 HZ1 LYS 31 HZ1 LYS 31 13.041 18.685 -13.378 256 HZ2 LYS 31 HZ2 LYS 31 12.349 17.421 -12.493 257 HZ3 LYS 31 HZ3 LYS 31 13.766 18.161 -11.942 258 H CYS 32 H CYS 32 8.528 16.628 -7.534 259 HA CYS 32 HA CYS 32 10.681 14.843 -7.135 260 HB2 CYS 32 HB2 CYS 32 8.140 15.390 -5.613 261 HB3 CYS 32 HB3 CYS 32 9.275 14.147 -5.093 262 H GLU 33 H GLU 33 7.236 14.307 -7.801 263 HA GLU 33 HA GLU 33 7.381 11.477 -7.721 264 HB2 GLU 33 HB2 GLU 33 5.154 11.536 -8.109 265 HB3 GLU 33 HB3 GLU 33 5.341 13.250 -7.766 266 HG2 GLU 33 HG2 GLU 33 4.144 13.316 -9.711 267 HG3 GLU 33 HG3 GLU 33 5.792 13.424 -10.327 268 H GLU 34 H GLU 34 8.178 13.824 -10.118 269 HA GLU 34 HA GLU 34 8.000 12.072 -12.377 270 HB2 GLU 34 HB2 GLU 34 9.405 14.722 -12.008 271 HB3 GLU 34 HB3 GLU 34 9.272 13.876 -13.544 272 HG2 GLU 34 HG2 GLU 34 6.739 14.341 -12.122 273 HG3 GLU 34 HG3 GLU 34 7.566 15.780 -12.717 274 H LYS 35 H LYS 35 10.747 13.462 -10.579 275 HA LYS 35 HA LYS 35 12.724 11.949 -11.908 276 HB2 LYS 35 HB2 LYS 35 12.621 13.913 -9.840 277 HB3 LYS 35 HB3 LYS 35 13.603 12.570 -9.272 278 HG2 LYS 35 HG2 LYS 35 14.102 13.636 -12.002 279 HG3 LYS 35 HG3 LYS 35 14.656 14.568 -10.610 280 HD2 LYS 35 HD2 LYS 35 15.750 12.429 -9.793 281 HD3 LYS 35 HD3 LYS 35 15.416 11.763 -11.394 282 HE2 LYS 35 HE2 LYS 35 16.832 13.310 -12.450 283 HE3 LYS 35 HE3 LYS 35 16.878 14.362 -11.036 284 HZ1 LYS 35 HZ1 LYS 35 18.113 12.623 -9.861 285 HZ2 LYS 35 HZ2 LYS 35 18.935 13.154 -11.240 286 HZ3 LYS 35 HZ3 LYS 35 18.118 11.673 -11.260 287 H PHE 36 H PHE 36 10.424 11.075 -9.579 288 HA PHE 36 HA PHE 36 11.913 9.013 -8.272 289 HB2 PHE 36 HB2 PHE 36 9.516 10.289 -7.789 290 HB3 PHE 36 HB3 PHE 36 9.005 8.681 -8.294 291 HD1 PHE 36 HD2 PHE 36 9.593 6.719 -6.986 292 HD2 PHE 36 HD1 PHE 36 10.716 10.630 -5.737 293 HE1 PHE 36 HE2 PHE 36 10.082 5.856 -4.734 294 HE2 PHE 36 HE1 PHE 36 11.208 9.773 -3.483 295 HZ PHE 36 HZ PHE 36 10.890 7.383 -2.979 296 H GLU 37 H GLU 37 9.344 8.991 -10.740 297 HA GLU 37 HA GLU 37 10.511 6.606 -11.920 298 HB2 GLU 37 HB2 GLU 37 7.610 6.619 -11.079 299 HB3 GLU 37 HB3 GLU 37 8.486 5.299 -11.842 300 HG2 GLU 37 HG2 GLU 37 9.194 6.408 -9.140 301 HG3 GLU 37 HG3 GLU 37 8.085 5.059 -9.381 302 H ARG 38 H ARG 38 9.566 6.084 -14.020 303 HA ARG 38 HA ARG 38 9.019 8.469 -15.514 304 HB2 ARG 38 HB2 ARG 38 10.341 6.332 -16.222 305 HB3 ARG 38 HB3 ARG 38 8.753 5.706 -16.647 306 HG2 ARG 38 HG2 ARG 38 8.407 7.495 -18.213 307 HG3 ARG 38 HG3 ARG 38 9.910 8.272 -17.711 308 HD2 ARG 38 HD2 ARG 38 9.916 5.469 -18.762 309 HD3 ARG 38 HD3 ARG 38 9.884 6.841 -19.869 310 HE ARG 38 HE ARG 38 11.945 7.341 -18.114 311 HH11 ARG 38 HH11 ARG 38 11.115 4.846 -20.395 312 HH12 ARG 38 HH12 ARG 38 12.762 4.443 -20.753 313 HH21 ARG 38 HH21 ARG 38 14.117 6.821 -18.576 314 HH22 ARG 38 HH22 ARG 38 14.469 5.567 -19.717 315 H GLN 39 H GLN 39 7.148 9.060 -16.568 316 HA GLN 39 HA GLN 39 4.703 7.891 -15.494 317 HB2 GLN 39 HB2 GLN 39 5.487 10.498 -16.046 318 HB3 GLN 39 HB3 GLN 39 4.352 10.118 -17.335 319 HG2 GLN 39 HG2 GLN 39 3.766 9.745 -14.408 320 HG3 GLN 39 HG3 GLN 39 3.331 11.180 -15.335 321 HE21 GLN 39 HE21 GLN 39 1.522 11.163 -16.526 322 HE22 GLN 39 HE22 GLN 39 0.482 9.797 -16.719 323 H GLN 40 H GLN 40 5.672 9.089 -18.714 324 HA GLN 40 HA GLN 40 3.740 7.439 -20.031 325 HB2 GLN 40 HB2 GLN 40 4.421 8.465 -22.020 326 HB3 GLN 40 HB3 GLN 40 4.671 9.710 -20.803 327 HG2 GLN 40 HG2 GLN 40 6.791 7.925 -21.976 328 HG3 GLN 40 HG3 GLN 40 6.525 9.625 -22.362 329 HE21 GLN 40 HE21 GLN 40 6.127 10.740 -19.932 330 HE22 GLN 40 HE22 GLN 40 7.546 10.585 -18.959 331 H ARG 41 H ARG 41 4.076 5.634 -21.319 332 HA ARG 41 HA ARG 41 4.986 3.636 -21.912 333 HB2 ARG 41 HB2 ARG 41 7.236 5.546 -22.068 334 HB3 ARG 41 HB3 ARG 41 7.686 3.847 -21.987 335 HG2 ARG 41 HG2 ARG 41 5.599 4.699 -23.934 336 HG3 ARG 41 HG3 ARG 41 7.298 5.023 -24.287 337 HD2 ARG 41 HD2 ARG 41 7.070 2.956 -25.243 338 HD3 ARG 41 HD3 ARG 41 7.579 2.496 -23.619 339 HE ARG 41 HE ARG 41 4.821 2.593 -23.565 340 HH11 ARG 41 HH11 ARG 41 7.277 0.824 -25.284 341 HH12 ARG 41 HH12 ARG 41 6.299 -0.592 -25.487 342 HH21 ARG 41 HH21 ARG 41 3.524 0.735 -23.826 343 HH22 ARG 41 HH22 ARG 41 4.164 -0.641 -24.658 Start of MODEL 14 1 H1 SER 1 H SER 1 4.921 0.432 8.154 2 HA SER 1 HA SER 1 5.587 -1.789 6.514 3 HB2 SER 1 HB2 SER 1 3.935 -0.979 5.006 4 HB3 SER 1 HB3 SER 1 3.349 -0.571 6.618 5 HG SER 1 HG SER 1 3.700 1.509 6.243 6 H GLU 2 H GLU 2 6.330 -1.651 4.270 7 HA GLU 2 HA GLU 2 8.083 0.632 3.713 8 HB2 GLU 2 HB2 GLU 2 9.643 -1.349 2.775 9 HB3 GLU 2 HB3 GLU 2 9.810 -0.672 4.388 10 HG2 GLU 2 HG2 GLU 2 9.856 -3.118 4.391 11 HG3 GLU 2 HG3 GLU 2 8.508 -2.472 5.326 12 H LYS 3 H LYS 3 8.122 1.245 1.622 13 HA LYS 3 HA LYS 3 7.370 -0.558 -0.502 14 HB2 LYS 3 HB2 LYS 3 5.507 1.482 0.570 15 HB3 LYS 3 HB3 LYS 3 5.639 1.395 -1.181 16 HG2 LYS 3 HG2 LYS 3 5.309 -1.178 -0.750 17 HG3 LYS 3 HG3 LYS 3 4.569 -0.600 0.745 18 HD2 LYS 3 HD2 LYS 3 3.104 0.875 -0.620 19 HD3 LYS 3 HD3 LYS 3 3.782 0.137 -2.073 20 HE2 LYS 3 HE2 LYS 3 1.626 -0.862 -1.430 21 HE3 LYS 3 HE3 LYS 3 2.945 -2.032 -1.403 22 HZ1 LYS 3 HZ1 LYS 3 1.256 -1.879 0.561 23 HZ2 LYS 3 HZ2 LYS 3 2.263 -0.623 1.077 24 HZ3 LYS 3 HZ3 LYS 3 2.894 -2.178 0.861 25 HA PRO 4 HA PRO 4 9.938 2.051 -2.919 26 HB2 PRO 4 HB2 PRO 4 8.740 1.967 -5.353 27 HB3 PRO 4 HB3 PRO 4 9.617 0.595 -4.666 28 HG2 PRO 4 HG2 PRO 4 6.670 1.118 -4.732 29 HG3 PRO 4 HG3 PRO 4 7.545 -0.393 -5.039 30 HD2 PRO 4 HD2 PRO 4 6.325 0.132 -2.679 31 HD3 PRO 4 HD3 PRO 4 7.803 -0.846 -2.793 32 H GLN 5 H GLN 5 6.721 2.911 -2.288 33 HA GLN 5 HA GLN 5 6.916 5.476 -3.672 34 HB2 GLN 5 HB2 GLN 5 4.564 5.782 -2.913 35 HB3 GLN 5 HB3 GLN 5 4.801 4.353 -3.910 36 HG2 GLN 5 HG2 GLN 5 4.457 2.905 -2.164 37 HG3 GLN 5 HG3 GLN 5 4.930 4.090 -0.947 38 HE21 GLN 5 HE21 GLN 5 3.414 6.135 -1.115 39 HE22 GLN 5 HE22 GLN 5 1.728 5.761 -1.072 40 H GLN 6 H GLN 6 8.522 4.697 -1.262 41 HA GLN 6 HA GLN 6 7.508 6.402 0.844 42 HB2 GLN 6 HB2 GLN 6 9.344 5.643 2.147 43 HB3 GLN 6 HB3 GLN 6 8.766 4.248 1.245 44 HG2 GLN 6 HG2 GLN 6 10.586 4.825 -0.454 45 HG3 GLN 6 HG3 GLN 6 11.249 5.862 0.808 46 HE21 GLN 6 HE21 GLN 6 11.691 4.816 2.897 47 HE22 GLN 6 HE22 GLN 6 12.260 3.185 2.892 48 H GLU 7 H GLU 7 9.911 6.529 -1.697 49 HA GLU 7 HA GLU 7 11.355 8.769 -0.797 50 HB2 GLU 7 HB2 GLU 7 11.130 7.216 -3.258 51 HB3 GLU 7 HB3 GLU 7 11.439 8.920 -3.559 52 HG2 GLU 7 HG2 GLU 7 13.262 8.505 -1.663 53 HG3 GLU 7 HG3 GLU 7 13.159 6.868 -2.308 54 H LEU 8 H LEU 8 8.387 8.464 -2.654 55 HA LEU 8 HA LEU 8 8.104 11.043 -3.615 56 HB2 LEU 8 HB2 LEU 8 6.623 9.098 -4.104 57 HB3 LEU 8 HB3 LEU 8 5.886 9.322 -2.519 58 HG LEU 8 HG LEU 8 5.182 11.608 -3.265 59 HD11 LEU 8 HD11 LEU 8 5.625 10.743 -6.077 60 HD12 LEU 8 HD12 LEU 8 6.966 11.466 -5.189 61 HD13 LEU 8 HD13 LEU 8 5.464 12.365 -5.404 62 HD21 LEU 8 HD21 LEU 8 3.235 10.636 -3.697 63 HD22 LEU 8 HD22 LEU 8 4.070 9.087 -3.815 64 HD23 LEU 8 HD23 LEU 8 3.820 10.067 -5.261 65 H GLU 9 H GLU 9 7.062 9.743 -0.472 66 HA GLU 9 HA GLU 9 5.845 11.983 0.578 67 HB2 GLU 9 HB2 GLU 9 7.542 9.922 1.993 68 HB3 GLU 9 HB3 GLU 9 6.518 11.092 2.813 69 HG2 GLU 9 HG2 GLU 9 4.585 10.130 1.512 70 HG3 GLU 9 HG3 GLU 9 5.675 8.834 1.023 71 H GLU 10 H GLU 10 9.267 11.268 0.278 72 HA GLU 10 HA GLU 10 10.156 13.434 1.910 73 HB2 GLU 10 HB2 GLU 10 11.663 11.917 -0.228 74 HB3 GLU 10 HB3 GLU 10 12.374 12.940 1.013 75 HG2 GLU 10 HG2 GLU 10 10.814 10.419 1.532 76 HG3 GLU 10 HG3 GLU 10 12.572 10.545 1.516 77 H CYS 11 H CYS 11 9.672 12.969 -1.558 78 HA CYS 11 HA CYS 11 10.798 15.395 -2.422 79 HB2 CYS 11 HB2 CYS 11 9.998 13.297 -3.768 80 HB3 CYS 11 HB3 CYS 11 8.461 14.154 -3.832 81 H GLN 12 H GLN 12 7.391 14.547 -1.809 82 HA GLN 12 HA GLN 12 6.349 17.110 -2.282 83 HB2 GLN 12 HB2 GLN 12 5.240 14.986 -0.439 84 HB3 GLN 12 HB3 GLN 12 4.345 16.326 -1.144 85 HG2 GLN 12 HG2 GLN 12 5.250 15.211 -3.388 86 HG3 GLN 12 HG3 GLN 12 5.226 13.781 -2.357 87 HE21 GLN 12 HE21 GLN 12 3.557 14.866 -4.684 88 HE22 GLN 12 HE22 GLN 12 1.930 14.644 -4.148 89 H ASN 13 H ASN 13 7.446 15.547 0.702 90 HA ASN 13 HA ASN 13 6.682 17.483 2.535 91 HB2 ASN 13 HB2 ASN 13 7.510 15.417 3.368 92 HB3 ASN 13 HB3 ASN 13 9.033 15.594 2.500 93 HD21 ASN 13 HD21 ASN 13 10.417 15.529 4.177 94 HD22 ASN 13 HD22 ASN 13 10.452 16.689 5.458 95 H VAL 14 H VAL 14 9.570 17.320 0.507 96 HA VAL 14 HA VAL 14 10.859 19.585 1.629 97 HB VAL 14 HB VAL 14 11.199 18.355 -1.110 98 HG11 VAL 14 HG11 VAL 14 12.467 20.642 0.229 99 HG12 VAL 14 HG12 VAL 14 13.585 19.485 -0.495 100 HG13 VAL 14 HG13 VAL 14 12.345 20.253 -1.487 101 HG21 VAL 14 HG21 VAL 14 11.722 17.202 1.313 102 HG22 VAL 14 HG22 VAL 14 12.524 16.791 -0.202 103 HG23 VAL 14 HG23 VAL 14 13.272 17.938 0.909 104 H CYS 15 H CYS 15 8.693 19.137 -1.129 105 HA CYS 15 HA CYS 15 8.877 21.686 -2.244 106 HB2 CYS 15 HB2 CYS 15 6.468 19.857 -2.136 107 HB3 CYS 15 HB3 CYS 15 6.664 21.223 -3.230 108 H ARG 16 H ARG 16 6.734 20.466 0.305 109 HA ARG 16 HA ARG 16 5.284 22.874 0.641 110 HB2 ARG 16 HB2 ARG 16 5.749 20.663 2.650 111 HB3 ARG 16 HB3 ARG 16 4.485 21.883 2.724 112 HG2 ARG 16 HG2 ARG 16 3.207 20.858 1.159 113 HG3 ARG 16 HG3 ARG 16 4.599 20.214 0.285 114 HD2 ARG 16 HD2 ARG 16 4.928 18.703 2.336 115 HD3 ARG 16 HD3 ARG 16 3.280 19.160 2.765 116 HE ARG 16 HE ARG 16 3.573 18.175 0.074 117 HH11 ARG 16 HH11 ARG 16 3.009 17.335 3.405 118 HH12 ARG 16 HH12 ARG 16 2.215 15.841 3.029 119 HH21 ARG 16 HH21 ARG 16 2.529 16.212 -0.433 120 HH22 ARG 16 HH22 ARG 16 1.943 15.203 0.846 121 H MET 17 H MET 17 8.452 22.023 1.455 122 HA MET 17 HA MET 17 8.611 23.934 3.662 123 HB2 MET 17 HB2 MET 17 10.248 21.665 2.717 124 HB3 MET 17 HB3 MET 17 11.152 23.032 3.356 125 HG2 MET 17 HG2 MET 17 8.954 22.403 5.088 126 HG3 MET 17 HG3 MET 17 9.928 20.966 4.785 127 HE1 MET 17 HE1 MET 17 11.842 20.383 5.593 128 HE2 MET 17 HE2 MET 17 13.131 21.529 5.225 129 HE3 MET 17 HE3 MET 17 12.751 21.138 6.903 130 H LYS 18 H LYS 18 8.534 24.237 0.485 131 HA LYS 18 HA LYS 18 10.899 25.756 -0.058 132 HB2 LYS 18 HB2 LYS 18 8.285 25.508 -1.554 133 HB3 LYS 18 HB3 LYS 18 9.685 26.386 -2.155 134 HG2 LYS 18 HG2 LYS 18 9.602 23.443 -1.521 135 HG3 LYS 18 HG3 LYS 18 9.519 24.157 -3.133 136 HD2 LYS 18 HD2 LYS 18 11.753 25.256 -2.580 137 HD3 LYS 18 HD3 LYS 18 11.829 24.151 -1.206 138 HE2 LYS 18 HE2 LYS 18 11.533 22.261 -2.813 139 HE3 LYS 18 HE3 LYS 18 11.670 23.426 -4.129 140 HZ1 LYS 18 HZ1 LYS 18 13.808 23.645 -2.238 141 HZ2 LYS 18 HZ2 LYS 18 13.870 23.481 -3.920 142 HZ3 LYS 18 HZ3 LYS 18 13.734 22.108 -2.942 143 H ARG 19 H ARG 19 7.649 26.478 1.022 144 HA ARG 19 HA ARG 19 6.619 28.410 1.655 145 HB2 ARG 19 HB2 ARG 19 9.479 28.886 2.453 146 HB3 ARG 19 HB3 ARG 19 8.238 30.094 2.759 147 HG2 ARG 19 HG2 ARG 19 6.981 28.074 3.858 148 HG3 ARG 19 HG3 ARG 19 8.610 27.404 3.974 149 HD2 ARG 19 HD2 ARG 19 8.113 28.576 6.009 150 HD3 ARG 19 HD3 ARG 19 9.327 29.488 5.113 151 HE ARG 19 HE ARG 19 6.784 30.461 4.441 152 HH11 ARG 19 HH11 ARG 19 8.981 30.363 7.140 153 HH12 ARG 19 HH12 ARG 19 8.407 31.844 7.829 154 HH21 ARG 19 HH21 ARG 19 6.019 32.413 5.339 155 HH22 ARG 19 HH22 ARG 19 6.721 33.010 6.805 156 H TRP 20 H TRP 20 7.405 28.232 -1.113 157 HA TRP 20 HA TRP 20 8.210 30.949 -1.812 158 HB2 TRP 20 HB2 TRP 20 7.851 28.412 -3.395 159 HB3 TRP 20 HB3 TRP 20 8.031 29.974 -4.190 160 HD1 TRP 20 HD1 TRP 20 10.256 30.983 -1.930 161 HE1 TRP 20 HE1 TRP 20 12.665 30.125 -2.221 162 HE3 TRP 20 HE3 TRP 20 9.321 26.930 -4.902 163 HZ2 TRP 20 HZ2 TRP 20 13.993 28.010 -3.536 164 HZ3 TRP 20 HZ3 TRP 20 11.216 25.541 -5.634 165 HH2 TRP 20 HH2 TRP 20 13.503 26.072 -4.964 166 H SER 21 H SER 21 5.641 28.713 -2.886 167 HA SER 21 HA SER 21 3.515 30.477 -2.394 168 HB2 SER 21 HB2 SER 21 2.962 31.111 -4.743 169 HB3 SER 21 HB3 SER 21 4.445 31.861 -4.154 170 HG SER 21 HG SER 21 4.489 30.857 -6.324 171 H THR 22 H THR 22 1.487 29.613 -3.004 172 HA THR 22 HA THR 22 1.236 26.869 -2.916 173 HB THR 22 HB THR 22 -0.646 28.330 -2.433 174 HG1 THR 22 HG1 THR 22 -1.205 26.236 -3.065 175 HG21 THR 22 HG21 THR 22 -1.825 29.565 -4.097 176 HG22 THR 22 HG22 THR 22 -0.872 28.846 -5.395 177 HG23 THR 22 HG23 THR 22 -0.118 29.973 -4.268 178 H GLU 23 H GLU 23 1.546 28.966 -5.721 179 HA GLU 23 HA GLU 23 0.882 27.055 -7.689 180 HB2 GLU 23 HB2 GLU 23 1.020 29.540 -8.029 181 HB3 GLU 23 HB3 GLU 23 2.771 29.391 -8.000 182 HG2 GLU 23 HG2 GLU 23 2.253 29.426 -10.259 183 HG3 GLU 23 HG3 GLU 23 2.475 27.713 -9.906 184 H MET 24 H MET 24 3.983 28.025 -6.269 185 HA MET 24 HA MET 24 5.544 26.268 -7.879 186 HB2 MET 24 HB2 MET 24 6.095 27.795 -5.343 187 HB3 MET 24 HB3 MET 24 7.292 26.722 -6.056 188 HG2 MET 24 HG2 MET 24 6.020 29.018 -7.521 189 HG3 MET 24 HG3 MET 24 7.546 29.129 -6.646 190 HE1 MET 24 HE1 MET 24 8.658 30.044 -8.378 191 HE2 MET 24 HE2 MET 24 9.929 28.823 -8.449 192 HE3 MET 24 HE3 MET 24 9.115 29.336 -9.928 193 H VAL 25 H VAL 25 4.309 26.101 -4.555 194 HA VAL 25 HA VAL 25 5.465 23.669 -3.822 195 HB VAL 25 HB VAL 25 2.754 24.644 -2.923 196 HG11 VAL 25 HG11 VAL 25 3.029 23.311 -1.033 197 HG12 VAL 25 HG12 VAL 25 3.635 22.295 -2.343 198 HG13 VAL 25 HG13 VAL 25 4.766 23.142 -1.286 199 HG21 VAL 25 HG21 VAL 25 5.338 25.863 -2.609 200 HG22 VAL 25 HG22 VAL 25 3.757 26.440 -2.079 201 HG23 VAL 25 HG23 VAL 25 4.698 25.369 -1.041 202 H HIS 26 H HIS 26 2.207 24.279 -5.135 203 HA HIS 26 HA HIS 26 1.381 21.619 -5.289 204 HB2 HIS 26 HB2 HIS 26 0.610 24.064 -6.873 205 HB3 HIS 26 HB3 HIS 26 -0.150 22.499 -7.145 206 HD1 HIS 26 HD1 HIS 26 -2.315 23.982 -6.375 207 HD2 HIS 26 HD2 HIS 26 0.447 22.988 -3.435 208 HE1 HIS 26 HE1 HIS 26 -3.517 24.297 -4.189 209 H ARG 27 H ARG 27 2.818 23.655 -7.838 210 HA ARG 27 HA ARG 27 2.908 21.756 -9.858 211 HB2 ARG 27 HB2 ARG 27 3.394 24.141 -10.203 212 HB3 ARG 27 HB3 ARG 27 4.897 23.965 -9.306 213 HG2 ARG 27 HG2 ARG 27 5.414 22.142 -11.105 214 HG3 ARG 27 HG3 ARG 27 4.199 23.016 -12.040 215 HD2 ARG 27 HD2 ARG 27 5.511 24.853 -12.283 216 HD3 ARG 27 HD3 ARG 27 6.284 24.641 -10.713 217 HE ARG 27 HE ARG 27 7.176 23.602 -13.243 218 HH11 ARG 27 HH11 ARG 27 7.290 23.222 -9.784 219 HH12 ARG 27 HH12 ARG 27 8.801 22.373 -9.797 220 HH21 ARG 27 HH21 ARG 27 9.165 22.486 -13.272 221 HH22 ARG 27 HH22 ARG 27 9.866 21.956 -11.781 222 H CYS 28 H CYS 28 5.177 22.349 -7.222 223 HA CYS 28 HA CYS 28 7.238 20.650 -8.075 224 HB2 CYS 28 HB2 CYS 28 7.437 22.313 -6.236 225 HB3 CYS 28 HB3 CYS 28 6.434 21.277 -5.227 226 H GLU 29 H GLU 29 4.745 19.990 -5.605 227 HA GLU 29 HA GLU 29 5.283 17.317 -5.198 228 HB2 GLU 29 HB2 GLU 29 2.665 18.812 -5.103 229 HB3 GLU 29 HB3 GLU 29 2.821 17.135 -4.599 230 HG2 GLU 29 HG2 GLU 29 4.689 18.010 -3.053 231 HG3 GLU 29 HG3 GLU 29 3.972 19.593 -3.349 232 H LYS 30 H LYS 30 3.592 18.840 -7.842 233 HA LYS 30 HA LYS 30 2.351 16.532 -8.904 234 HB2 LYS 30 HB2 LYS 30 2.898 19.287 -9.805 235 HB3 LYS 30 HB3 LYS 30 2.742 18.101 -11.094 236 HG2 LYS 30 HG2 LYS 30 0.627 17.640 -9.283 237 HG3 LYS 30 HG3 LYS 30 0.701 19.379 -9.578 238 HD2 LYS 30 HD2 LYS 30 0.861 18.747 -12.062 239 HD3 LYS 30 HD3 LYS 30 0.313 17.148 -11.552 240 HE2 LYS 30 HE2 LYS 30 -1.130 19.757 -11.086 241 HE3 LYS 30 HE3 LYS 30 -1.559 18.535 -12.282 242 HZ1 LYS 30 HZ1 LYS 30 -2.314 18.673 -9.584 243 HZ2 LYS 30 HZ2 LYS 30 -1.385 17.276 -9.799 244 HZ3 LYS 30 HZ3 LYS 30 -2.765 17.527 -10.744 245 H LYS 31 H LYS 31 5.198 18.282 -10.160 246 HA LYS 31 HA LYS 31 6.027 16.406 -12.002 247 HB2 LYS 31 HB2 LYS 31 8.006 17.591 -12.154 248 HB3 LYS 31 HB3 LYS 31 6.940 18.788 -11.430 249 HG2 LYS 31 HG2 LYS 31 8.724 19.028 -10.057 250 HG3 LYS 31 HG3 LYS 31 7.894 17.732 -9.192 251 HD2 LYS 31 HD2 LYS 31 9.430 16.157 -9.801 252 HD3 LYS 31 HD3 LYS 31 9.808 16.959 -11.328 253 HE2 LYS 31 HE2 LYS 31 11.028 18.698 -10.088 254 HE3 LYS 31 HE3 LYS 31 10.676 17.855 -8.580 255 HZ1 LYS 31 HZ1 LYS 31 12.497 16.667 -8.908 256 HZ2 LYS 31 HZ2 LYS 31 12.763 17.386 -10.415 257 HZ3 LYS 31 HZ3 LYS 31 11.808 15.994 -10.298 258 H CYS 32 H CYS 32 6.471 16.429 -8.535 259 HA CYS 32 HA CYS 32 8.468 14.429 -8.394 260 HB2 CYS 32 HB2 CYS 32 6.452 15.493 -6.428 261 HB3 CYS 32 HB3 CYS 32 7.518 14.155 -6.010 262 H GLU 33 H GLU 33 4.928 14.298 -8.199 263 HA GLU 33 HA GLU 33 4.844 11.466 -7.821 264 HB2 GLU 33 HB2 GLU 33 2.723 13.469 -8.604 265 HB3 GLU 33 HB3 GLU 33 2.395 11.762 -8.338 266 HG2 GLU 33 HG2 GLU 33 3.564 12.229 -6.034 267 HG3 GLU 33 HG3 GLU 33 3.086 13.890 -6.382 268 H GLU 34 H GLU 34 4.853 13.603 -10.574 269 HA GLU 34 HA GLU 34 3.923 11.699 -12.479 270 HB2 GLU 34 HB2 GLU 34 5.490 14.260 -12.817 271 HB3 GLU 34 HB3 GLU 34 4.849 13.312 -14.153 272 HG2 GLU 34 HG2 GLU 34 2.605 13.612 -12.746 273 HG3 GLU 34 HG3 GLU 34 3.457 15.066 -12.227 274 H LYS 35 H LYS 35 7.166 12.978 -11.743 275 HA LYS 35 HA LYS 35 8.546 11.263 -13.507 276 HB2 LYS 35 HB2 LYS 35 9.198 13.332 -11.668 277 HB3 LYS 35 HB3 LYS 35 10.211 11.945 -11.287 278 HG2 LYS 35 HG2 LYS 35 9.941 13.049 -14.068 279 HG3 LYS 35 HG3 LYS 35 11.163 13.606 -12.922 280 HD2 LYS 35 HD2 LYS 35 11.722 11.073 -12.701 281 HD3 LYS 35 HD3 LYS 35 10.877 10.937 -14.245 282 HE2 LYS 35 HE2 LYS 35 13.022 11.278 -14.973 283 HE3 LYS 35 HE3 LYS 35 12.439 12.940 -14.909 284 HZ1 LYS 35 HZ1 LYS 35 14.696 12.130 -13.766 285 HZ2 LYS 35 HZ2 LYS 35 13.634 11.922 -12.467 286 HZ3 LYS 35 HZ3 LYS 35 13.788 13.440 -13.197 287 H PHE 36 H PHE 36 7.032 10.664 -10.537 288 HA PHE 36 HA PHE 36 8.732 8.552 -9.623 289 HB2 PHE 36 HB2 PHE 36 6.679 10.027 -8.510 290 HB3 PHE 36 HB3 PHE 36 5.955 8.435 -8.716 291 HD1 PHE 36 HD1 PHE 36 6.803 6.513 -7.507 292 HD2 PHE 36 HD2 PHE 36 8.500 10.381 -6.975 293 HE1 PHE 36 HE1 PHE 36 7.932 5.734 -5.464 294 HE2 PHE 36 HE2 PHE 36 9.632 9.607 -4.932 295 HZ PHE 36 HZ PHE 36 9.349 7.280 -4.174 296 H GLU 37 H GLU 37 5.754 8.742 -11.507 297 HA GLU 37 HA GLU 37 5.181 5.996 -11.604 298 HB2 GLU 37 HB2 GLU 37 4.409 8.387 -13.186 299 HB3 GLU 37 HB3 GLU 37 4.156 6.820 -13.941 300 HG2 GLU 37 HG2 GLU 37 3.083 7.630 -11.249 301 HG3 GLU 37 HG3 GLU 37 2.170 7.655 -12.757 302 H ARG 38 H ARG 38 7.584 7.879 -13.187 303 HA ARG 38 HA ARG 38 8.581 5.492 -14.523 304 HB2 ARG 38 HB2 ARG 38 7.055 6.939 -16.072 305 HB3 ARG 38 HB3 ARG 38 8.442 8.018 -16.130 306 HG2 ARG 38 HG2 ARG 38 8.834 6.725 -17.969 307 HG3 ARG 38 HG3 ARG 38 9.733 5.825 -16.746 308 HD2 ARG 38 HD2 ARG 38 6.865 5.168 -17.249 309 HD3 ARG 38 HD3 ARG 38 8.097 4.587 -18.368 310 HE ARG 38 HE ARG 38 7.569 3.612 -15.734 311 HH11 ARG 38 HH11 ARG 38 10.051 4.048 -18.135 312 HH12 ARG 38 HH12 ARG 38 11.033 2.748 -17.545 313 HH21 ARG 38 HH21 ARG 38 8.852 1.898 -14.947 314 HH22 ARG 38 HH22 ARG 38 10.349 1.525 -15.732 315 H GLN 39 H GLN 39 10.552 5.341 -13.676 316 HA GLN 39 HA GLN 39 12.034 7.523 -12.664 317 HB2 GLN 39 HB2 GLN 39 12.200 4.760 -12.516 318 HB3 GLN 39 HB3 GLN 39 13.651 5.212 -13.400 319 HG2 GLN 39 HG2 GLN 39 14.133 6.856 -11.566 320 HG3 GLN 39 HG3 GLN 39 12.810 6.120 -10.664 321 HE21 GLN 39 HE21 GLN 39 14.983 5.995 -9.331 322 HE22 GLN 39 HE22 GLN 39 15.770 4.460 -9.422 323 H GLN 40 H GLN 40 12.445 5.568 -15.611 324 HA GLN 40 HA GLN 40 14.413 7.478 -16.608 325 HB2 GLN 40 HB2 GLN 40 14.966 5.871 -18.257 326 HB3 GLN 40 HB3 GLN 40 14.728 4.967 -16.767 327 HG2 GLN 40 HG2 GLN 40 12.502 4.317 -17.498 328 HG3 GLN 40 HG3 GLN 40 12.706 5.253 -18.978 329 HE21 GLN 40 HE21 GLN 40 14.114 2.589 -17.134 330 HE22 GLN 40 HE22 GLN 40 14.665 1.695 -18.506 331 H ARG 41 H ARG 41 14.209 8.510 -18.642 332 HA ARG 41 HA ARG 41 11.548 9.423 -19.191 333 HB2 ARG 41 HB2 ARG 41 14.095 10.452 -19.548 334 HB3 ARG 41 HB3 ARG 41 13.558 10.115 -21.188 335 HG2 ARG 41 HG2 ARG 41 11.503 11.428 -20.730 336 HG3 ARG 41 HG3 ARG 41 12.179 11.852 -19.155 337 HD2 ARG 41 HD2 ARG 41 13.840 12.333 -21.572 338 HD3 ARG 41 HD3 ARG 41 12.477 13.411 -21.276 339 HE ARG 41 HE ARG 41 13.787 13.326 -18.891 340 HH11 ARG 41 HH11 ARG 41 14.714 14.072 -22.163 341 HH12 ARG 41 HH12 ARG 41 15.951 15.192 -21.695 342 HH21 ARG 41 HH21 ARG 41 15.412 14.798 -18.263 343 HH22 ARG 41 HH22 ARG 41 16.348 15.603 -19.477 Start of MODEL 15 1 H1 SER 1 H SER 1 5.091 -6.112 2.440 2 HA SER 1 HA SER 1 6.394 -5.176 4.052 3 HB2 SER 1 HB2 SER 1 8.203 -7.439 3.198 4 HB3 SER 1 HB3 SER 1 8.588 -6.363 4.541 5 HG SER 1 HG SER 1 7.498 -8.283 5.205 6 H GLU 2 H GLU 2 6.413 -3.919 1.570 7 HA GLU 2 HA GLU 2 9.051 -2.653 1.653 8 HB2 GLU 2 HB2 GLU 2 7.813 -4.016 -0.681 9 HB3 GLU 2 HB3 GLU 2 8.644 -2.497 -0.987 10 HG2 GLU 2 HG2 GLU 2 10.584 -3.567 0.345 11 HG3 GLU 2 HG3 GLU 2 9.750 -5.084 0.013 12 H LYS 3 H LYS 3 9.072 -0.525 0.580 13 HA LYS 3 HA LYS 3 6.529 0.726 0.025 14 HB2 LYS 3 HB2 LYS 3 8.095 1.319 2.519 15 HB3 LYS 3 HB3 LYS 3 7.108 2.565 1.767 16 HG2 LYS 3 HG2 LYS 3 5.207 0.841 1.888 17 HG3 LYS 3 HG3 LYS 3 6.247 -0.005 3.036 18 HD2 LYS 3 HD2 LYS 3 5.764 2.909 3.425 19 HD3 LYS 3 HD3 LYS 3 4.477 1.776 3.843 20 HE2 LYS 3 HE2 LYS 3 6.337 0.517 5.130 21 HE3 LYS 3 HE3 LYS 3 7.224 2.035 5.009 22 HZ1 LYS 3 HZ1 LYS 3 4.712 2.735 5.865 23 HZ2 LYS 3 HZ2 LYS 3 6.117 2.676 6.804 24 HZ3 LYS 3 HZ3 LYS 3 5.082 1.339 6.746 25 HA PRO 4 HA PRO 4 10.180 2.392 -2.303 26 HB2 PRO 4 HB2 PRO 4 8.984 2.249 -4.736 27 HB3 PRO 4 HB3 PRO 4 9.857 0.892 -4.013 28 HG2 PRO 4 HG2 PRO 4 6.912 1.421 -4.096 29 HG3 PRO 4 HG3 PRO 4 7.783 -0.100 -4.363 30 HD2 PRO 4 HD2 PRO 4 6.562 0.487 -2.019 31 HD3 PRO 4 HD3 PRO 4 8.037 -0.496 -2.107 32 H GLN 5 H GLN 5 6.928 3.253 -1.766 33 HA GLN 5 HA GLN 5 7.172 5.803 -3.169 34 HB2 GLN 5 HB2 GLN 5 4.801 6.115 -2.564 35 HB3 GLN 5 HB3 GLN 5 5.071 4.619 -3.447 36 HG2 GLN 5 HG2 GLN 5 5.026 3.380 -1.328 37 HG3 GLN 5 HG3 GLN 5 4.698 4.886 -0.473 38 HE21 GLN 5 HE21 GLN 5 2.838 3.476 0.200 39 HE22 GLN 5 HE22 GLN 5 1.408 3.554 -0.766 40 H GLN 6 H GLN 6 8.682 5.047 -0.687 41 HA GLN 6 HA GLN 6 7.587 6.791 1.349 42 HB2 GLN 6 HB2 GLN 6 9.853 4.875 1.165 43 HB3 GLN 6 HB3 GLN 6 9.996 6.180 2.335 44 HG2 GLN 6 HG2 GLN 6 7.549 4.462 2.238 45 HG3 GLN 6 HG3 GLN 6 9.000 3.936 3.090 46 HE21 GLN 6 HE21 GLN 6 6.271 6.013 3.115 47 HE22 GLN 6 HE22 GLN 6 6.532 6.705 4.676 48 H GLU 7 H GLU 7 10.023 6.885 -1.138 49 HA GLU 7 HA GLU 7 11.478 9.115 -0.183 50 HB2 GLU 7 HB2 GLU 7 11.486 7.425 -2.500 51 HB3 GLU 7 HB3 GLU 7 11.562 9.105 -3.013 52 HG2 GLU 7 HG2 GLU 7 13.783 8.173 -2.751 53 HG3 GLU 7 HG3 GLU 7 13.502 9.467 -1.587 54 H LEU 8 H LEU 8 8.577 8.787 -2.124 55 HA LEU 8 HA LEU 8 8.376 11.359 -3.162 56 HB2 LEU 8 HB2 LEU 8 6.923 9.395 -3.702 57 HB3 LEU 8 HB3 LEU 8 6.081 9.673 -2.179 58 HG LEU 8 HG LEU 8 5.320 11.846 -2.984 59 HD11 LEU 8 HD11 LEU 8 7.216 12.384 -4.423 60 HD12 LEU 8 HD12 LEU 8 5.691 12.521 -5.297 61 HD13 LEU 8 HD13 LEU 8 6.729 11.117 -5.549 62 HD21 LEU 8 HD21 LEU 8 3.552 10.793 -3.811 63 HD22 LEU 8 HD22 LEU 8 4.513 9.319 -3.932 64 HD23 LEU 8 HD23 LEU 8 4.424 10.430 -5.300 65 H GLU 9 H GLU 9 7.121 10.093 -0.083 66 HA GLU 9 HA GLU 9 5.864 12.356 0.867 67 HB2 GLU 9 HB2 GLU 9 7.444 10.303 2.426 68 HB3 GLU 9 HB3 GLU 9 6.343 11.472 3.143 69 HG2 GLU 9 HG2 GLU 9 5.402 9.581 1.026 70 HG3 GLU 9 HG3 GLU 9 5.515 9.077 2.711 71 H GLU 10 H GLU 10 9.289 11.590 0.812 72 HA GLU 10 HA GLU 10 10.102 13.746 2.490 73 HB2 GLU 10 HB2 GLU 10 11.731 12.246 0.433 74 HB3 GLU 10 HB3 GLU 10 12.360 13.224 1.751 75 HG2 GLU 10 HG2 GLU 10 10.844 10.637 1.982 76 HG3 GLU 10 HG3 GLU 10 12.552 10.906 2.322 77 H CYS 11 H CYS 11 9.863 13.294 -1.009 78 HA CYS 11 HA CYS 11 11.038 15.735 -1.767 79 HB2 CYS 11 HB2 CYS 11 10.376 13.634 -3.182 80 HB3 CYS 11 HB3 CYS 11 8.843 14.478 -3.376 81 H GLN 12 H GLN 12 7.604 14.844 -1.435 82 HA GLN 12 HA GLN 12 6.586 17.412 -1.976 83 HB2 GLN 12 HB2 GLN 12 5.325 15.239 -0.295 84 HB3 GLN 12 HB3 GLN 12 4.490 16.590 -1.050 85 HG2 GLN 12 HG2 GLN 12 5.508 15.595 -3.246 86 HG3 GLN 12 HG3 GLN 12 5.607 14.123 -2.281 87 HE21 GLN 12 HE21 GLN 12 3.879 15.213 -4.595 88 HE22 GLN 12 HE22 GLN 12 2.276 14.772 -4.124 89 H ASN 13 H ASN 13 7.470 15.809 1.049 90 HA ASN 13 HA ASN 13 6.494 17.692 2.850 91 HB2 ASN 13 HB2 ASN 13 8.687 15.666 2.924 92 HB3 ASN 13 HB3 ASN 13 8.603 16.853 4.222 93 HD21 ASN 13 HD21 ASN 13 8.340 14.420 5.062 94 HD22 ASN 13 HD22 ASN 13 6.699 14.000 5.403 95 H VAL 14 H VAL 14 9.541 17.613 1.070 96 HA VAL 14 HA VAL 14 10.682 19.881 2.357 97 HB VAL 14 HB VAL 14 11.333 18.670 -0.334 98 HG11 VAL 14 HG11 VAL 14 13.543 19.810 0.039 99 HG12 VAL 14 HG12 VAL 14 12.189 20.888 -0.302 100 HG13 VAL 14 HG13 VAL 14 12.778 20.705 1.351 101 HG21 VAL 14 HG21 VAL 14 11.635 17.550 2.162 102 HG22 VAL 14 HG22 VAL 14 12.538 17.106 0.714 103 HG23 VAL 14 HG23 VAL 14 13.215 18.271 1.852 104 H CYS 15 H CYS 15 8.777 19.415 -0.576 105 HA CYS 15 HA CYS 15 9.052 21.968 -1.676 106 HB2 CYS 15 HB2 CYS 15 6.703 20.067 -1.808 107 HB3 CYS 15 HB3 CYS 15 6.909 21.479 -2.839 108 H ARG 16 H ARG 16 6.708 20.718 0.668 109 HA ARG 16 HA ARG 16 5.169 23.081 0.857 110 HB2 ARG 16 HB2 ARG 16 5.550 20.917 2.936 111 HB3 ARG 16 HB3 ARG 16 4.246 22.096 2.892 112 HG2 ARG 16 HG2 ARG 16 3.126 21.007 1.250 113 HG3 ARG 16 HG3 ARG 16 4.601 20.393 0.499 114 HD2 ARG 16 HD2 ARG 16 4.814 18.928 2.598 115 HD3 ARG 16 HD3 ARG 16 3.124 19.339 2.888 116 HE ARG 16 HE ARG 16 3.658 18.319 0.248 117 HH11 ARG 16 HH11 ARG 16 2.856 17.519 3.539 118 HH12 ARG 16 HH12 ARG 16 2.137 15.996 3.131 119 HH21 ARG 16 HH21 ARG 16 2.715 16.316 -0.302 120 HH22 ARG 16 HH22 ARG 16 2.059 15.312 0.946 121 H MET 17 H MET 17 8.284 22.331 1.958 122 HA MET 17 HA MET 17 8.194 24.412 4.028 123 HB2 MET 17 HB2 MET 17 9.900 22.021 3.564 124 HB3 MET 17 HB3 MET 17 10.654 23.414 4.329 125 HG2 MET 17 HG2 MET 17 8.191 23.009 5.628 126 HG3 MET 17 HG3 MET 17 8.955 21.429 5.468 127 HE1 MET 17 HE1 MET 17 11.318 21.026 5.868 128 HE2 MET 17 HE2 MET 17 12.300 21.764 7.133 129 HE3 MET 17 HE3 MET 17 10.942 20.725 7.564 130 H LYS 18 H LYS 18 8.322 24.741 1.024 131 HA LYS 18 HA LYS 18 10.941 25.895 0.580 132 HB2 LYS 18 HB2 LYS 18 8.462 25.783 -1.146 133 HB3 LYS 18 HB3 LYS 18 9.987 26.496 -1.656 134 HG2 LYS 18 HG2 LYS 18 9.696 23.631 -0.789 135 HG3 LYS 18 HG3 LYS 18 9.583 24.170 -2.466 136 HD2 LYS 18 HD2 LYS 18 11.959 25.022 -0.902 137 HD3 LYS 18 HD3 LYS 18 11.868 23.329 -1.395 138 HE2 LYS 18 HE2 LYS 18 11.305 25.441 -3.418 139 HE3 LYS 18 HE3 LYS 18 12.978 25.157 -2.940 140 HZ1 LYS 18 HZ1 LYS 18 12.998 23.105 -3.880 141 HZ2 LYS 18 HZ2 LYS 18 11.861 23.833 -4.898 142 HZ3 LYS 18 HZ3 LYS 18 11.346 22.832 -3.635 143 H ARG 19 H ARG 19 7.719 26.955 1.386 144 HA ARG 19 HA ARG 19 6.820 29.001 1.831 145 HB2 ARG 19 HB2 ARG 19 9.674 29.335 2.727 146 HB3 ARG 19 HB3 ARG 19 8.498 30.630 2.908 147 HG2 ARG 19 HG2 ARG 19 7.851 27.916 3.955 148 HG3 ARG 19 HG3 ARG 19 8.947 28.963 4.860 149 HD2 ARG 19 HD2 ARG 19 6.846 29.443 5.755 150 HD3 ARG 19 HD3 ARG 19 7.130 30.753 4.610 151 HE ARG 19 HE ARG 19 5.721 28.587 3.412 152 HH11 ARG 19 HH11 ARG 19 5.347 31.361 5.481 153 HH12 ARG 19 HH12 ARG 19 3.675 31.591 5.090 154 HH21 ARG 19 HH21 ARG 19 3.520 28.878 2.889 155 HH22 ARG 19 HH22 ARG 19 2.636 30.177 3.616 156 H TRP 20 H TRP 20 7.506 28.617 -0.862 157 HA TRP 20 HA TRP 20 8.590 31.210 -1.706 158 HB2 TRP 20 HB2 TRP 20 8.426 28.517 -2.950 159 HB3 TRP 20 HB3 TRP 20 8.297 29.903 -4.030 160 HD1 TRP 20 HD1 TRP 20 10.823 27.647 -3.066 161 HE1 TRP 20 HE1 TRP 20 13.173 28.696 -3.054 162 HE3 TRP 20 HE3 TRP 20 9.506 32.587 -3.060 163 HZ2 TRP 20 HZ2 TRP 20 14.318 31.276 -3.042 164 HZ3 TRP 20 HZ3 TRP 20 11.290 34.282 -3.047 165 HH2 TRP 20 HH2 TRP 20 13.645 33.638 -3.038 166 H SER 21 H SER 21 5.991 29.001 -2.765 167 HA SER 21 HA SER 21 3.925 30.887 -2.547 168 HB2 SER 21 HB2 SER 21 3.538 31.350 -4.966 169 HB3 SER 21 HB3 SER 21 5.024 32.076 -4.355 170 HG SER 21 HG SER 21 5.898 31.070 -5.982 171 H THR 22 H THR 22 1.903 30.043 -3.142 172 HA THR 22 HA THR 22 1.543 27.322 -2.887 173 HB THR 22 HB THR 22 -0.296 28.874 -2.560 174 HG1 THR 22 HG1 THR 22 -1.650 27.349 -3.132 175 HG21 THR 22 HG21 THR 22 -1.327 30.110 -4.277 176 HG22 THR 22 HG22 THR 22 -0.499 29.202 -5.543 177 HG23 THR 22 HG23 THR 22 0.402 30.336 -4.537 178 H GLU 23 H GLU 23 1.978 29.222 -5.819 179 HA GLU 23 HA GLU 23 1.321 27.199 -7.670 180 HB2 GLU 23 HB2 GLU 23 2.894 29.744 -7.811 181 HB3 GLU 23 HB3 GLU 23 2.920 28.631 -9.172 182 HG2 GLU 23 HG2 GLU 23 0.538 28.799 -9.425 183 HG3 GLU 23 HG3 GLU 23 0.415 29.778 -7.964 184 H MET 24 H MET 24 4.411 28.190 -6.240 185 HA MET 24 HA MET 24 5.975 26.307 -7.687 186 HB2 MET 24 HB2 MET 24 6.541 27.809 -5.127 187 HB3 MET 24 HB3 MET 24 7.729 26.844 -5.992 188 HG2 MET 24 HG2 MET 24 6.276 29.058 -7.376 189 HG3 MET 24 HG3 MET 24 7.666 29.397 -6.347 190 HE1 MET 24 HE1 MET 24 7.415 29.413 -10.194 191 HE2 MET 24 HE2 MET 24 7.674 30.476 -8.811 192 HE3 MET 24 HE3 MET 24 9.045 29.951 -9.789 193 H VAL 25 H VAL 25 4.603 26.338 -4.415 194 HA VAL 25 HA VAL 25 5.677 23.936 -3.493 195 HB VAL 25 HB VAL 25 2.935 24.995 -2.806 196 HG11 VAL 25 HG11 VAL 25 3.165 23.817 -0.758 197 HG12 VAL 25 HG12 VAL 25 3.583 22.684 -2.045 198 HG13 VAL 25 HG13 VAL 25 4.856 23.441 -1.087 199 HG21 VAL 25 HG21 VAL 25 3.914 26.800 -1.961 200 HG22 VAL 25 HG22 VAL 25 4.807 25.759 -0.853 201 HG23 VAL 25 HG23 VAL 25 5.508 26.194 -2.412 202 H HIS 26 H HIS 26 2.483 24.492 -4.981 203 HA HIS 26 HA HIS 26 1.645 21.838 -5.049 204 HB2 HIS 26 HB2 HIS 26 0.990 24.196 -6.809 205 HB3 HIS 26 HB3 HIS 26 0.226 22.625 -7.031 206 HD1 HIS 26 HD1 HIS 26 -2.016 23.977 -6.457 207 HD2 HIS 26 HD2 HIS 26 0.689 23.516 -3.337 208 HE1 HIS 26 HE1 HIS 26 -3.314 24.479 -4.362 209 H ARG 27 H ARG 27 3.199 23.716 -7.653 210 HA ARG 27 HA ARG 27 3.395 21.682 -9.531 211 HB2 ARG 27 HB2 ARG 27 3.870 24.047 -10.017 212 HB3 ARG 27 HB3 ARG 27 5.337 23.950 -9.053 213 HG2 ARG 27 HG2 ARG 27 5.907 21.995 -10.717 214 HG3 ARG 27 HG3 ARG 27 4.761 22.849 -11.752 215 HD2 ARG 27 HD2 ARG 27 6.330 24.327 -12.282 216 HD3 ARG 27 HD3 ARG 27 6.500 24.766 -10.583 217 HE ARG 27 HE ARG 27 8.442 23.564 -10.511 218 HH11 ARG 27 HH11 ARG 27 6.626 22.608 -13.323 219 HH12 ARG 27 HH12 ARG 27 7.892 21.614 -13.963 220 HH21 ARG 27 HH21 ARG 27 10.117 22.258 -11.344 221 HH22 ARG 27 HH22 ARG 27 9.877 21.415 -12.836 222 H CYS 28 H CYS 28 5.721 22.620 -7.013 223 HA CYS 28 HA CYS 28 7.779 20.880 -7.600 224 HB2 CYS 28 HB2 CYS 28 7.827 22.644 -5.840 225 HB3 CYS 28 HB3 CYS 28 6.829 21.610 -4.823 226 H GLU 29 H GLU 29 4.888 20.268 -5.635 227 HA GLU 29 HA GLU 29 5.568 17.622 -4.916 228 HB2 GLU 29 HB2 GLU 29 2.893 19.014 -5.082 229 HB3 GLU 29 HB3 GLU 29 3.114 17.402 -4.417 230 HG2 GLU 29 HG2 GLU 29 4.925 18.689 -2.955 231 HG3 GLU 29 HG3 GLU 29 3.842 20.038 -3.294 232 H LYS 30 H LYS 30 3.873 18.999 -7.667 233 HA LYS 30 HA LYS 30 2.827 16.607 -8.723 234 HB2 LYS 30 HB2 LYS 30 3.434 19.316 -9.833 235 HB3 LYS 30 HB3 LYS 30 3.042 18.011 -10.944 236 HG2 LYS 30 HG2 LYS 30 0.961 17.650 -9.512 237 HG3 LYS 30 HG3 LYS 30 1.328 19.225 -8.805 238 HD2 LYS 30 HD2 LYS 30 1.227 20.256 -11.008 239 HD3 LYS 30 HD3 LYS 30 0.923 18.682 -11.747 240 HE2 LYS 30 HE2 LYS 30 -1.231 18.580 -10.965 241 HE3 LYS 30 HE3 LYS 30 -0.890 19.611 -9.576 242 HZ1 LYS 30 HZ1 LYS 30 -1.821 20.326 -12.185 243 HZ2 LYS 30 HZ2 LYS 30 -0.470 21.233 -11.724 244 HZ3 LYS 30 HZ3 LYS 30 -1.852 21.219 -10.748 245 H LYS 31 H LYS 31 5.697 18.446 -9.783 246 HA LYS 31 HA LYS 31 6.690 16.631 -11.607 247 HB2 LYS 31 HB2 LYS 31 8.932 17.640 -11.117 248 HB3 LYS 31 HB3 LYS 31 7.663 18.812 -11.448 249 HG2 LYS 31 HG2 LYS 31 7.400 19.162 -9.018 250 HG3 LYS 31 HG3 LYS 31 8.750 18.059 -8.743 251 HD2 LYS 31 HD2 LYS 31 9.859 19.756 -10.530 252 HD3 LYS 31 HD3 LYS 31 8.739 20.845 -9.707 253 HE2 LYS 31 HE2 LYS 31 9.917 20.805 -7.789 254 HE3 LYS 31 HE3 LYS 31 10.287 19.088 -7.934 255 HZ1 LYS 31 HZ1 LYS 31 11.877 21.347 -8.647 256 HZ2 LYS 31 HZ2 LYS 31 11.712 20.273 -9.943 257 HZ3 LYS 31 HZ3 LYS 31 12.331 19.727 -8.467 258 H CYS 32 H CYS 32 7.251 16.761 -8.111 259 HA CYS 32 HA CYS 32 9.124 14.689 -7.941 260 HB2 CYS 32 HB2 CYS 32 7.121 15.802 -5.989 261 HB3 CYS 32 HB3 CYS 32 8.172 14.458 -5.554 262 H GLU 33 H GLU 33 5.600 14.632 -7.977 263 HA GLU 33 HA GLU 33 5.412 11.824 -7.436 264 HB2 GLU 33 HB2 GLU 33 3.423 12.723 -6.836 265 HB3 GLU 33 HB3 GLU 33 3.552 14.038 -7.995 266 HG2 GLU 33 HG2 GLU 33 1.660 12.620 -8.508 267 HG3 GLU 33 HG3 GLU 33 2.868 12.535 -9.789 268 H GLU 34 H GLU 34 5.290 13.850 -10.328 269 HA GLU 34 HA GLU 34 4.606 11.803 -12.147 270 HB2 GLU 34 HB2 GLU 34 6.139 14.361 -12.648 271 HB3 GLU 34 HB3 GLU 34 5.404 13.351 -13.885 272 HG2 GLU 34 HG2 GLU 34 3.682 14.383 -11.696 273 HG3 GLU 34 HG3 GLU 34 4.201 15.496 -12.960 274 H LYS 35 H LYS 35 7.756 13.230 -11.305 275 HA LYS 35 HA LYS 35 9.291 11.540 -12.962 276 HB2 LYS 35 HB2 LYS 35 9.773 13.692 -11.217 277 HB3 LYS 35 HB3 LYS 35 10.744 12.359 -10.607 278 HG2 LYS 35 HG2 LYS 35 11.532 12.097 -13.041 279 HG3 LYS 35 HG3 LYS 35 10.879 13.721 -13.268 280 HD2 LYS 35 HD2 LYS 35 12.300 14.511 -11.403 281 HD3 LYS 35 HD3 LYS 35 12.998 12.894 -11.284 282 HE2 LYS 35 HE2 LYS 35 14.522 14.143 -12.572 283 HE3 LYS 35 HE3 LYS 35 13.635 13.150 -13.727 284 HZ1 LYS 35 HZ1 LYS 35 12.244 15.052 -14.246 285 HZ2 LYS 35 HZ2 LYS 35 13.872 15.424 -14.507 286 HZ3 LYS 35 HZ3 LYS 35 13.083 16.007 -13.129 287 H PHE 36 H PHE 36 7.644 10.932 -10.064 288 HA PHE 36 HA PHE 36 9.368 8.898 -9.027 289 HB2 PHE 36 HB2 PHE 36 7.217 10.315 -8.041 290 HB3 PHE 36 HB3 PHE 36 6.546 8.703 -8.271 291 HD1 PHE 36 HD2 PHE 36 9.020 10.703 -6.461 292 HD2 PHE 36 HD1 PHE 36 7.299 6.841 -6.951 293 HE1 PHE 36 HE2 PHE 36 10.058 9.977 -4.352 294 HE2 PHE 36 HE1 PHE 36 8.333 6.109 -4.842 295 HZ PHE 36 HZ PHE 36 9.716 7.677 -3.540 296 H GLU 37 H GLU 37 6.499 8.953 -11.078 297 HA GLU 37 HA GLU 37 6.032 6.183 -11.156 298 HB2 GLU 37 HB2 GLU 37 5.434 8.296 -13.233 299 HB3 GLU 37 HB3 GLU 37 4.783 6.663 -13.246 300 HG2 GLU 37 HG2 GLU 37 3.659 7.089 -11.122 301 HG3 GLU 37 HG3 GLU 37 4.311 8.727 -11.106 302 H ARG 38 H ARG 38 6.793 4.559 -12.428 303 HA ARG 38 HA ARG 38 9.364 4.923 -13.631 304 HB2 ARG 38 HB2 ARG 38 8.293 2.828 -12.429 305 HB3 ARG 38 HB3 ARG 38 7.753 2.444 -14.057 306 HG2 ARG 38 HG2 ARG 38 10.033 2.425 -14.852 307 HG3 ARG 38 HG3 ARG 38 10.616 2.931 -13.265 308 HD2 ARG 38 HD2 ARG 38 9.490 0.821 -12.373 309 HD3 ARG 38 HD3 ARG 38 9.375 0.313 -14.057 310 HE ARG 38 HE ARG 38 11.734 0.366 -12.421 311 HH11 ARG 38 HH11 ARG 38 10.512 0.467 -15.679 312 HH12 ARG 38 HH12 ARG 38 11.978 -0.128 -16.386 313 HH21 ARG 38 HH21 ARG 38 13.669 -0.418 -13.340 314 HH22 ARG 38 HH22 ARG 38 13.772 -0.632 -15.055 315 H GLN 39 H GLN 39 9.914 4.378 -15.831 316 HA GLN 39 HA GLN 39 7.806 4.301 -17.807 317 HB2 GLN 39 HB2 GLN 39 9.095 6.785 -17.095 318 HB3 GLN 39 HB3 GLN 39 9.437 6.373 -18.770 319 HG2 GLN 39 HG2 GLN 39 7.064 6.195 -19.236 320 HG3 GLN 39 HG3 GLN 39 6.692 6.538 -17.547 321 HE21 GLN 39 HE21 GLN 39 6.736 7.860 -20.502 322 HE22 GLN 39 HE22 GLN 39 6.987 9.521 -20.098 323 H GLN 40 H GLN 40 8.623 3.940 -19.981 324 HA GLN 40 HA GLN 40 10.889 2.192 -19.964 325 HB2 GLN 40 HB2 GLN 40 10.286 1.612 -22.148 326 HB3 GLN 40 HB3 GLN 40 8.751 1.997 -21.381 327 HG2 GLN 40 HG2 GLN 40 10.334 3.807 -23.191 328 HG3 GLN 40 HG3 GLN 40 8.869 2.924 -23.618 329 HE21 GLN 40 HE21 GLN 40 9.693 5.863 -23.335 330 HE22 GLN 40 HE22 GLN 40 8.389 6.559 -22.441 331 H ARG 41 H ARG 41 10.335 5.515 -20.771 332 HA ARG 41 HA ARG 41 11.722 7.197 -21.420 333 HB2 ARG 41 HB2 ARG 41 13.239 5.569 -19.748 334 HB3 ARG 41 HB3 ARG 41 14.261 5.806 -21.159 335 HG2 ARG 41 HG2 ARG 41 12.936 8.155 -19.884 336 HG3 ARG 41 HG3 ARG 41 14.389 7.460 -19.161 337 HD2 ARG 41 HD2 ARG 41 15.300 9.045 -20.556 338 HD3 ARG 41 HD3 ARG 41 15.322 7.622 -21.596 339 HE ARG 41 HE ARG 41 12.919 8.842 -22.099 340 HH11 ARG 41 HH11 ARG 41 16.272 9.763 -22.260 341 HH12 ARG 41 HH12 ARG 41 16.036 10.886 -23.558 342 HH21 ARG 41 HH21 ARG 41 12.595 10.318 -23.808 343 HH22 ARG 41 HH22 ARG 41 13.944 11.202 -24.437 Start of MODEL 16 1 H1 SER 1 H SER 1 4.180 0.039 6.828 2 HA SER 1 HA SER 1 4.409 -2.026 4.763 3 HB2 SER 1 HB2 SER 1 2.746 -0.157 4.505 4 HB3 SER 1 HB3 SER 1 4.105 0.961 4.385 5 HG SER 1 HG SER 1 4.349 0.379 2.389 6 H GLU 2 H GLU 2 6.054 -1.887 3.138 7 HA GLU 2 HA GLU 2 8.378 -0.234 3.773 8 HB2 GLU 2 HB2 GLU 2 9.675 -2.518 3.189 9 HB3 GLU 2 HB3 GLU 2 9.290 -2.019 4.831 10 HG2 GLU 2 HG2 GLU 2 7.349 -3.682 3.296 11 HG3 GLU 2 HG3 GLU 2 8.759 -4.433 4.040 12 H LYS 3 H LYS 3 8.585 0.885 1.943 13 HA LYS 3 HA LYS 3 9.203 -0.499 -0.503 14 HB2 LYS 3 HB2 LYS 3 6.593 0.876 -0.110 15 HB3 LYS 3 HB3 LYS 3 7.402 1.099 -1.656 16 HG2 LYS 3 HG2 LYS 3 7.588 -1.497 -1.623 17 HG3 LYS 3 HG3 LYS 3 6.276 -1.384 -0.448 18 HD2 LYS 3 HD2 LYS 3 4.813 -0.430 -1.995 19 HD3 LYS 3 HD3 LYS 3 6.123 0.057 -3.073 20 HE2 LYS 3 HE2 LYS 3 6.560 -2.325 -3.558 21 HE3 LYS 3 HE3 LYS 3 5.186 -2.761 -2.543 22 HZ1 LYS 3 HZ1 LYS 3 4.089 -0.979 -4.220 23 HZ2 LYS 3 HZ2 LYS 3 4.059 -2.653 -4.458 24 HZ3 LYS 3 HZ3 LYS 3 5.230 -1.710 -5.234 25 HA PRO 4 HA PRO 4 11.645 3.066 -1.261 26 HB2 PRO 4 HB2 PRO 4 11.542 3.286 -3.965 27 HB3 PRO 4 HB3 PRO 4 12.441 2.007 -3.139 28 HG2 PRO 4 HG2 PRO 4 9.725 1.906 -4.393 29 HG3 PRO 4 HG3 PRO 4 11.040 0.719 -4.475 30 HD2 PRO 4 HD2 PRO 4 8.918 0.431 -2.817 31 HD3 PRO 4 HD3 PRO 4 10.539 -0.165 -2.406 32 H GLN 5 H GLN 5 8.340 3.040 -2.216 33 HA GLN 5 HA GLN 5 8.127 5.641 -3.288 34 HB2 GLN 5 HB2 GLN 5 5.714 5.415 -2.819 35 HB3 GLN 5 HB3 GLN 5 6.373 3.997 -3.624 36 HG2 GLN 5 HG2 GLN 5 6.131 2.663 -1.781 37 HG3 GLN 5 HG3 GLN 5 6.223 4.016 -0.654 38 HE21 GLN 5 HE21 GLN 5 4.251 1.757 -1.196 39 HE22 GLN 5 HE22 GLN 5 2.719 2.554 -1.243 40 H GLN 6 H GLN 6 8.515 4.491 -0.079 41 HA GLN 6 HA GLN 6 7.267 6.451 1.437 42 HB2 GLN 6 HB2 GLN 6 9.608 4.658 1.855 43 HB3 GLN 6 HB3 GLN 6 9.375 5.979 2.992 44 HG2 GLN 6 HG2 GLN 6 8.365 3.725 3.586 45 HG3 GLN 6 HG3 GLN 6 7.330 5.144 3.732 46 HE21 GLN 6 HE21 GLN 6 5.539 5.315 2.481 47 HE22 GLN 6 HE22 GLN 6 4.999 4.084 1.396 48 H GLU 7 H GLU 7 10.239 6.580 -0.387 49 HA GLU 7 HA GLU 7 11.333 8.902 0.790 50 HB2 GLU 7 HB2 GLU 7 11.891 7.200 -1.492 51 HB3 GLU 7 HB3 GLU 7 12.152 8.895 -1.879 52 HG2 GLU 7 HG2 GLU 7 14.194 8.499 -1.049 53 HG3 GLU 7 HG3 GLU 7 13.396 8.765 0.500 54 H LEU 8 H LEU 8 9.086 8.402 -1.880 55 HA LEU 8 HA LEU 8 9.021 10.980 -2.923 56 HB2 LEU 8 HB2 LEU 8 7.939 8.991 -3.922 57 HB3 LEU 8 HB3 LEU 8 6.704 9.067 -2.667 58 HG LEU 8 HG LEU 8 6.014 11.280 -3.535 59 HD11 LEU 8 HD11 LEU 8 8.230 11.820 -4.555 60 HD12 LEU 8 HD12 LEU 8 6.845 12.119 -5.605 61 HD13 LEU 8 HD13 LEU 8 7.845 10.687 -5.851 62 HD21 LEU 8 HD21 LEU 8 6.000 9.190 -5.703 63 HD22 LEU 8 HD22 LEU 8 4.796 10.442 -5.395 64 HD23 LEU 8 HD23 LEU 8 4.987 9.103 -4.262 65 H GLU 9 H GLU 9 7.021 9.562 -0.344 66 HA GLU 9 HA GLU 9 5.381 11.711 0.201 67 HB2 GLU 9 HB2 GLU 9 6.501 9.513 1.900 68 HB3 GLU 9 HB3 GLU 9 5.561 10.795 2.651 69 HG2 GLU 9 HG2 GLU 9 3.701 10.283 1.109 70 HG3 GLU 9 HG3 GLU 9 4.642 8.936 0.472 71 H GLU 10 H GLU 10 8.735 11.221 1.066 72 HA GLU 10 HA GLU 10 8.862 13.385 2.933 73 HB2 GLU 10 HB2 GLU 10 11.067 11.931 1.461 74 HB3 GLU 10 HB3 GLU 10 11.310 13.060 2.786 75 HG2 GLU 10 HG2 GLU 10 9.566 10.667 3.160 76 HG3 GLU 10 HG3 GLU 10 11.320 10.515 3.247 77 H CYS 11 H CYS 11 9.711 12.966 -0.477 78 HA CYS 11 HA CYS 11 10.871 15.497 -0.871 79 HB2 CYS 11 HB2 CYS 11 10.810 13.374 -2.404 80 HB3 CYS 11 HB3 CYS 11 9.347 14.111 -3.049 81 H GLN 12 H GLN 12 7.551 14.353 -1.437 82 HA GLN 12 HA GLN 12 6.547 16.837 -2.331 83 HB2 GLN 12 HB2 GLN 12 5.028 14.577 -1.019 84 HB3 GLN 12 HB3 GLN 12 4.339 15.862 -2.002 85 HG2 GLN 12 HG2 GLN 12 6.138 14.866 -3.733 86 HG3 GLN 12 HG3 GLN 12 5.764 13.416 -2.804 87 HE21 GLN 12 HE21 GLN 12 5.069 14.697 -5.574 88 HE22 GLN 12 HE22 GLN 12 3.389 14.329 -5.736 89 H ASN 13 H ASN 13 6.555 15.276 0.854 90 HA ASN 13 HA ASN 13 5.023 17.106 2.261 91 HB2 ASN 13 HB2 ASN 13 5.804 14.960 3.192 92 HB3 ASN 13 HB3 ASN 13 7.447 15.593 3.262 93 HD21 ASN 13 HD21 ASN 13 4.869 14.931 5.088 94 HD22 ASN 13 HD22 ASN 13 5.065 16.099 6.346 95 H VAL 14 H VAL 14 8.479 17.193 1.507 96 HA VAL 14 HA VAL 14 9.053 19.533 3.003 97 HB VAL 14 HB VAL 14 10.520 18.376 0.629 98 HG11 VAL 14 HG11 VAL 14 11.117 20.630 2.486 99 HG12 VAL 14 HG12 VAL 14 12.446 19.643 1.874 100 HG13 VAL 14 HG13 VAL 14 11.390 20.499 0.749 101 HG21 VAL 14 HG21 VAL 14 11.529 16.920 2.006 102 HG22 VAL 14 HG22 VAL 14 11.658 18.095 3.315 103 HG23 VAL 14 HG23 VAL 14 10.151 17.214 3.067 104 H CYS 15 H CYS 15 8.176 18.968 -0.376 105 HA CYS 15 HA CYS 15 8.582 21.535 -1.374 106 HB2 CYS 15 HB2 CYS 15 6.555 19.430 -2.141 107 HB3 CYS 15 HB3 CYS 15 6.809 20.910 -3.059 108 H ARG 16 H ARG 16 5.746 20.147 0.229 109 HA ARG 16 HA ARG 16 4.070 22.398 -0.080 110 HB2 ARG 16 HB2 ARG 16 3.995 20.290 2.087 111 HB3 ARG 16 HB3 ARG 16 2.680 21.372 1.645 112 HG2 ARG 16 HG2 ARG 16 2.145 20.191 -0.216 113 HG3 ARG 16 HG3 ARG 16 3.806 19.664 -0.495 114 HD2 ARG 16 HD2 ARG 16 3.498 18.248 1.624 115 HD3 ARG 16 HD3 ARG 16 1.775 18.555 1.415 116 HE ARG 16 HE ARG 16 3.060 17.542 -0.947 117 HH11 ARG 16 HH11 ARG 16 1.515 16.698 2.056 118 HH12 ARG 16 HH12 ARG 16 1.053 15.115 1.524 119 HH21 ARG 16 HH21 ARG 16 2.459 15.460 -1.659 120 HH22 ARG 16 HH22 ARG 16 1.592 14.412 -0.589 121 H MET 17 H MET 17 6.752 21.808 1.947 122 HA MET 17 HA MET 17 5.961 23.777 3.938 123 HB2 MET 17 HB2 MET 17 8.034 21.700 3.708 124 HB3 MET 17 HB3 MET 17 8.559 23.171 4.516 125 HG2 MET 17 HG2 MET 17 5.977 22.319 5.475 126 HG3 MET 17 HG3 MET 17 7.177 21.039 5.633 127 HE1 MET 17 HE1 MET 17 9.906 23.082 6.118 128 HE2 MET 17 HE2 MET 17 9.918 22.635 7.823 129 HE3 MET 17 HE3 MET 17 9.518 21.430 6.598 130 H LYS 18 H LYS 18 7.024 24.019 0.906 131 HA LYS 18 HA LYS 18 9.194 25.868 1.189 132 HB2 LYS 18 HB2 LYS 18 7.424 25.194 -1.166 133 HB3 LYS 18 HB3 LYS 18 8.817 26.265 -1.253 134 HG2 LYS 18 HG2 LYS 18 8.858 23.343 -0.528 135 HG3 LYS 18 HG3 LYS 18 9.392 24.057 -2.051 136 HD2 LYS 18 HD2 LYS 18 10.960 25.469 -0.527 137 HD3 LYS 18 HD3 LYS 18 10.656 24.197 0.658 138 HE2 LYS 18 HE2 LYS 18 12.676 23.713 -0.594 139 HE3 LYS 18 HE3 LYS 18 11.429 22.522 -0.964 140 HZ1 LYS 18 HZ1 LYS 18 11.127 23.362 -3.067 141 HZ2 LYS 18 HZ2 LYS 18 12.791 23.584 -2.869 142 HZ3 LYS 18 HZ3 LYS 18 11.735 24.892 -2.680 143 H ARG 19 H ARG 19 9.036 27.925 1.764 144 HA ARG 19 HA ARG 19 6.433 29.239 1.701 145 HB2 ARG 19 HB2 ARG 19 8.301 29.213 3.629 146 HB3 ARG 19 HB3 ARG 19 8.824 30.646 2.755 147 HG2 ARG 19 HG2 ARG 19 6.685 31.690 3.073 148 HG3 ARG 19 HG3 ARG 19 6.033 30.218 3.796 149 HD2 ARG 19 HD2 ARG 19 7.707 30.425 5.611 150 HD3 ARG 19 HD3 ARG 19 8.234 31.954 4.908 151 HE ARG 19 HE ARG 19 6.368 32.967 5.779 152 HH11 ARG 19 HH11 ARG 19 6.006 29.509 5.966 153 HH12 ARG 19 HH12 ARG 19 4.581 29.581 6.948 154 HH21 ARG 19 HH21 ARG 19 4.493 33.074 7.073 155 HH22 ARG 19 HH22 ARG 19 3.721 31.609 7.577 156 H TRP 20 H TRP 20 7.435 28.851 -0.824 157 HA TRP 20 HA TRP 20 8.554 31.442 -1.628 158 HB2 TRP 20 HB2 TRP 20 8.555 28.712 -2.830 159 HB3 TRP 20 HB3 TRP 20 8.625 30.096 -3.917 160 HD1 TRP 20 HD1 TRP 20 10.662 28.318 -1.203 161 HE1 TRP 20 HE1 TRP 20 13.104 29.115 -1.358 162 HE3 TRP 20 HE3 TRP 20 10.085 32.031 -4.669 163 HZ2 TRP 20 HZ2 TRP 20 14.590 31.060 -2.763 164 HZ3 TRP 20 HZ3 TRP 20 12.067 33.313 -5.364 165 HH2 TRP 20 HH2 TRP 20 14.272 32.837 -4.430 166 H SER 21 H SER 21 6.164 29.127 -2.923 167 HA SER 21 HA SER 21 4.048 30.981 -3.028 168 HB2 SER 21 HB2 SER 21 3.931 31.407 -5.436 169 HB3 SER 21 HB3 SER 21 5.442 32.033 -4.775 170 HG SER 21 HG SER 21 5.231 30.460 -6.799 171 H THR 22 H THR 22 2.121 30.041 -3.705 172 HA THR 22 HA THR 22 1.810 27.320 -3.392 173 HB THR 22 HB THR 22 -0.098 28.787 -3.238 174 HG1 THR 22 HG1 THR 22 -1.534 27.593 -4.699 175 HG21 THR 22 HG21 THR 22 0.642 30.365 -5.029 176 HG22 THR 22 HG22 THR 22 -1.064 29.925 -5.121 177 HG23 THR 22 HG23 THR 22 0.098 29.186 -6.223 178 H GLU 23 H GLU 23 2.323 29.150 -6.370 179 HA GLU 23 HA GLU 23 1.878 27.072 -8.196 180 HB2 GLU 23 HB2 GLU 23 2.062 29.452 -8.828 181 HB3 GLU 23 HB3 GLU 23 3.779 29.408 -8.456 182 HG2 GLU 23 HG2 GLU 23 3.199 29.232 -10.881 183 HG3 GLU 23 HG3 GLU 23 4.229 27.946 -10.257 184 H MET 24 H MET 24 4.834 28.114 -6.543 185 HA MET 24 HA MET 24 6.572 26.297 -7.826 186 HB2 MET 24 HB2 MET 24 6.709 27.870 -5.274 187 HB3 MET 24 HB3 MET 24 7.961 26.698 -5.663 188 HG2 MET 24 HG2 MET 24 7.166 28.942 -7.497 189 HG3 MET 24 HG3 MET 24 8.455 29.067 -6.302 190 HE1 MET 24 HE1 MET 24 10.219 27.249 -6.072 191 HE2 MET 24 HE2 MET 24 11.129 26.658 -7.463 192 HE3 MET 24 HE3 MET 24 11.091 28.385 -7.102 193 H VAL 25 H VAL 25 4.486 26.032 -5.024 194 HA VAL 25 HA VAL 25 5.559 23.656 -3.947 195 HB VAL 25 HB VAL 25 2.700 24.619 -3.788 196 HG11 VAL 25 HG11 VAL 25 4.277 22.735 -2.039 197 HG12 VAL 25 HG12 VAL 25 2.653 23.329 -1.689 198 HG13 VAL 25 HG13 VAL 25 2.936 22.309 -3.101 199 HG21 VAL 25 HG21 VAL 25 4.110 25.164 -1.411 200 HG22 VAL 25 HG22 VAL 25 5.109 25.751 -2.740 201 HG23 VAL 25 HG23 VAL 25 3.448 26.319 -2.568 202 H HIS 26 H HIS 26 2.671 24.138 -5.988 203 HA HIS 26 HA HIS 26 2.030 21.462 -6.366 204 HB2 HIS 26 HB2 HIS 26 1.485 23.982 -7.852 205 HB3 HIS 26 HB3 HIS 26 1.173 22.465 -8.691 206 HD1 HIS 26 HD1 HIS 26 -1.161 21.724 -8.441 207 HD2 HIS 26 HD2 HIS 26 0.139 23.840 -5.110 208 HE1 HIS 26 HE1 HIS 26 -3.136 21.810 -6.886 209 H ARG 27 H ARG 27 4.120 23.556 -8.334 210 HA ARG 27 HA ARG 27 4.749 21.676 -10.312 211 HB2 ARG 27 HB2 ARG 27 5.259 23.978 -10.697 212 HB3 ARG 27 HB3 ARG 27 6.271 24.058 -9.261 213 HG2 ARG 27 HG2 ARG 27 7.877 22.540 -10.314 214 HG3 ARG 27 HG3 ARG 27 6.865 22.484 -11.758 215 HD2 ARG 27 HD2 ARG 27 7.355 24.662 -12.346 216 HD3 ARG 27 HD3 ARG 27 7.773 25.122 -10.696 217 HE ARG 27 HE ARG 27 9.656 23.263 -11.467 218 HH11 ARG 27 HH11 ARG 27 8.583 26.391 -12.554 219 HH12 ARG 27 HH12 ARG 27 10.129 26.846 -13.189 220 HH21 ARG 27 HH21 ARG 27 11.697 23.850 -12.299 221 HH22 ARG 27 HH22 ARG 27 11.900 25.399 -13.045 222 H CYS 28 H CYS 28 6.409 22.470 -7.275 223 HA CYS 28 HA CYS 28 8.609 20.793 -7.542 224 HB2 CYS 28 HB2 CYS 28 8.298 22.496 -5.748 225 HB3 CYS 28 HB3 CYS 28 7.136 21.422 -4.976 226 H GLU 29 H GLU 29 5.524 20.092 -5.895 227 HA GLU 29 HA GLU 29 6.010 17.475 -5.173 228 HB2 GLU 29 HB2 GLU 29 3.413 18.731 -6.076 229 HB3 GLU 29 HB3 GLU 29 3.534 17.163 -5.290 230 HG2 GLU 29 HG2 GLU 29 4.806 18.549 -3.455 231 HG3 GLU 29 HG3 GLU 29 3.900 19.885 -4.161 232 H LYS 30 H LYS 30 4.343 18.547 -8.140 233 HA LYS 30 HA LYS 30 4.119 16.047 -9.343 234 HB2 LYS 30 HB2 LYS 30 4.410 18.777 -10.607 235 HB3 LYS 30 HB3 LYS 30 3.958 17.324 -11.490 236 HG2 LYS 30 HG2 LYS 30 2.069 17.170 -9.696 237 HG3 LYS 30 HG3 LYS 30 2.399 18.893 -9.495 238 HD2 LYS 30 HD2 LYS 30 2.027 17.803 -12.246 239 HD3 LYS 30 HD3 LYS 30 0.608 18.055 -11.227 240 HE2 LYS 30 HE2 LYS 30 0.816 20.062 -12.393 241 HE3 LYS 30 HE3 LYS 30 1.562 20.406 -10.833 242 HZ1 LYS 30 HZ1 LYS 30 3.621 20.540 -11.739 243 HZ2 LYS 30 HZ2 LYS 30 2.732 21.014 -13.097 244 HZ3 LYS 30 HZ3 LYS 30 3.296 19.424 -12.969 245 H LYS 31 H LYS 31 6.841 18.198 -9.099 246 HA LYS 31 HA LYS 31 8.402 17.044 -11.178 247 HB2 LYS 31 HB2 LYS 31 8.659 19.179 -9.316 248 HB3 LYS 31 HB3 LYS 31 10.074 18.149 -9.142 249 HG2 LYS 31 HG2 LYS 31 10.479 18.332 -11.561 250 HG3 LYS 31 HG3 LYS 31 9.094 19.419 -11.691 251 HD2 LYS 31 HD2 LYS 31 11.121 20.722 -11.592 252 HD3 LYS 31 HD3 LYS 31 10.206 20.958 -10.100 253 HE2 LYS 31 HE2 LYS 31 11.672 19.603 -8.862 254 HE3 LYS 31 HE3 LYS 31 12.387 18.904 -10.314 255 HZ1 LYS 31 HZ1 LYS 31 12.638 21.776 -9.632 256 HZ2 LYS 31 HZ2 LYS 31 13.521 20.899 -10.778 257 HZ3 LYS 31 HZ3 LYS 31 13.762 20.617 -9.128 258 H CYS 32 H CYS 32 8.280 16.564 -7.665 259 HA CYS 32 HA CYS 32 10.365 14.646 -7.572 260 HB2 CYS 32 HB2 CYS 32 8.133 15.374 -5.685 261 HB3 CYS 32 HB3 CYS 32 9.248 14.058 -5.329 262 H GLU 33 H GLU 33 6.980 14.466 -8.312 263 HA GLU 33 HA GLU 33 6.729 11.640 -7.913 264 HB2 GLU 33 HB2 GLU 33 4.540 12.004 -8.243 265 HB3 GLU 33 HB3 GLU 33 4.953 13.713 -8.240 266 HG2 GLU 33 HG2 GLU 33 5.195 13.636 -10.686 267 HG3 GLU 33 HG3 GLU 33 4.705 11.942 -10.661 268 H GLU 34 H GLU 34 7.380 13.753 -10.658 269 HA GLU 34 HA GLU 34 7.301 11.632 -12.588 270 HB2 GLU 34 HB2 GLU 34 8.173 13.317 -14.152 271 HB3 GLU 34 HB3 GLU 34 6.784 13.916 -13.256 272 HG2 GLU 34 HG2 GLU 34 8.208 15.209 -11.813 273 HG3 GLU 34 HG3 GLU 34 9.648 14.526 -12.566 274 H LYS 35 H LYS 35 9.774 13.240 -10.692 275 HA LYS 35 HA LYS 35 11.981 12.053 -12.079 276 HB2 LYS 35 HB2 LYS 35 11.598 13.994 -10.001 277 HB3 LYS 35 HB3 LYS 35 12.775 12.802 -9.466 278 HG2 LYS 35 HG2 LYS 35 13.064 13.958 -12.190 279 HG3 LYS 35 HG3 LYS 35 13.503 14.946 -10.794 280 HD2 LYS 35 HD2 LYS 35 15.508 13.925 -11.159 281 HD3 LYS 35 HD3 LYS 35 14.773 12.721 -10.098 282 HE2 LYS 35 HE2 LYS 35 14.161 11.354 -11.955 283 HE3 LYS 35 HE3 LYS 35 14.605 12.615 -13.104 284 HZ1 LYS 35 HZ1 LYS 35 16.904 12.287 -11.802 285 HZ2 LYS 35 HZ2 LYS 35 16.502 11.443 -13.211 286 HZ3 LYS 35 HZ3 LYS 35 16.287 10.715 -11.699 287 H PHE 36 H PHE 36 9.769 10.949 -9.757 288 HA PHE 36 HA PHE 36 11.481 9.088 -8.417 289 HB2 PHE 36 HB2 PHE 36 8.962 10.099 -7.940 290 HB3 PHE 36 HB3 PHE 36 8.625 8.441 -8.429 291 HD1 PHE 36 HD1 PHE 36 10.422 10.537 -5.988 292 HD2 PHE 36 HD2 PHE 36 9.121 6.615 -7.009 293 HE1 PHE 36 HE1 PHE 36 11.007 9.759 -3.728 294 HE2 PHE 36 HE2 PHE 36 9.702 5.831 -4.750 295 HZ PHE 36 HZ PHE 36 10.645 7.403 -3.106 296 H GLU 37 H GLU 37 8.885 8.712 -10.831 297 HA GLU 37 HA GLU 37 9.582 5.954 -11.296 298 HB2 GLU 37 HB2 GLU 37 7.630 7.801 -12.679 299 HB3 GLU 37 HB3 GLU 37 7.826 6.099 -13.073 300 HG2 GLU 37 HG2 GLU 37 7.097 7.071 -10.326 301 HG3 GLU 37 HG3 GLU 37 5.904 6.670 -11.560 302 H ARG 38 H ARG 38 10.956 5.186 -12.765 303 HA ARG 38 HA ARG 38 12.580 6.941 -14.300 304 HB2 ARG 38 HB2 ARG 38 13.078 4.557 -13.323 305 HB3 ARG 38 HB3 ARG 38 12.424 4.005 -14.860 306 HG2 ARG 38 HG2 ARG 38 14.536 6.097 -14.887 307 HG3 ARG 38 HG3 ARG 38 14.994 4.429 -14.538 308 HD2 ARG 38 HD2 ARG 38 13.526 3.926 -16.659 309 HD3 ARG 38 HD3 ARG 38 13.872 5.614 -17.032 310 HE ARG 38 HE ARG 38 16.312 4.575 -16.467 311 HH11 ARG 38 HH11 ARG 38 13.745 3.665 -18.636 312 HH12 ARG 38 HH12 ARG 38 14.809 2.960 -19.808 313 HH21 ARG 38 HH21 ARG 38 17.722 3.649 -18.002 314 HH22 ARG 38 HH22 ARG 38 17.071 2.951 -19.446 315 H GLN 39 H GLN 39 9.861 4.830 -15.054 316 HA GLN 39 HA GLN 39 10.040 5.345 -17.889 317 HB2 GLN 39 HB2 GLN 39 8.918 3.338 -16.358 318 HB3 GLN 39 HB3 GLN 39 7.516 4.234 -16.926 319 HG2 GLN 39 HG2 GLN 39 8.392 4.010 -19.242 320 HG3 GLN 39 HG3 GLN 39 9.662 2.966 -18.607 321 HE21 GLN 39 HE21 GLN 39 6.151 3.273 -18.160 322 HE22 GLN 39 HE22 GLN 39 5.802 1.601 -18.418 323 H GLN 40 H GLN 40 8.301 6.317 -19.124 324 HA GLN 40 HA GLN 40 7.424 8.779 -17.938 325 HB2 GLN 40 HB2 GLN 40 6.706 9.399 -20.108 326 HB3 GLN 40 HB3 GLN 40 8.185 8.476 -20.338 327 HG2 GLN 40 HG2 GLN 40 6.583 6.467 -20.663 328 HG3 GLN 40 HG3 GLN 40 5.366 7.711 -20.948 329 HE21 GLN 40 HE21 GLN 40 5.578 9.073 -22.742 330 HE22 GLN 40 HE22 GLN 40 6.580 8.654 -24.085 331 H ARG 41 H ARG 41 5.113 9.517 -18.291 332 HA ARG 41 HA ARG 41 2.905 9.345 -17.771 333 HB2 ARG 41 HB2 ARG 41 3.386 7.362 -19.633 334 HB3 ARG 41 HB3 ARG 41 2.597 6.491 -18.325 335 HG2 ARG 41 HG2 ARG 41 1.501 8.962 -19.650 336 HG3 ARG 41 HG3 ARG 41 1.027 7.307 -20.038 337 HD2 ARG 41 HD2 ARG 41 0.802 8.504 -17.284 338 HD3 ARG 41 HD3 ARG 41 -0.507 8.531 -18.465 339 HE ARG 41 HE ARG 41 0.240 5.900 -18.286 340 HH11 ARG 41 HH11 ARG 41 -0.879 8.333 -16.062 341 HH12 ARG 41 HH12 ARG 41 -1.655 7.198 -15.007 342 HH21 ARG 41 HH21 ARG 41 -0.777 4.396 -16.905 343 HH22 ARG 41 HH22 ARG 41 -1.595 4.959 -15.487 Start of MODEL 17 1 H1 SER 1 H SER 1 14.145 -2.159 -4.178 2 HA SER 1 HA SER 1 12.145 -3.536 -2.507 3 HB2 SER 1 HB2 SER 1 13.140 -1.444 -1.491 4 HB3 SER 1 HB3 SER 1 12.397 -0.538 -2.810 5 HG SER 1 HG SER 1 10.555 -0.674 -1.819 6 H GLU 2 H GLU 2 9.870 -2.671 -2.969 7 HA GLU 2 HA GLU 2 9.539 -2.464 -5.889 8 HB2 GLU 2 HB2 GLU 2 8.660 -4.509 -4.477 9 HB3 GLU 2 HB3 GLU 2 7.339 -3.411 -4.100 10 HG2 GLU 2 HG2 GLU 2 6.972 -3.109 -6.537 11 HG3 GLU 2 HG3 GLU 2 8.195 -4.344 -6.829 12 H LYS 3 H LYS 3 9.168 -0.399 -6.390 13 HA LYS 3 HA LYS 3 8.192 1.653 -6.479 14 HB2 LYS 3 HB2 LYS 3 6.134 0.020 -6.330 15 HB3 LYS 3 HB3 LYS 3 5.947 0.727 -4.731 16 HG2 LYS 3 HG2 LYS 3 5.925 2.977 -5.822 17 HG3 LYS 3 HG3 LYS 3 5.880 2.149 -7.380 18 HD2 LYS 3 HD2 LYS 3 3.870 1.550 -5.233 19 HD3 LYS 3 HD3 LYS 3 3.653 2.906 -6.341 20 HE2 LYS 3 HE2 LYS 3 3.964 1.251 -8.224 21 HE3 LYS 3 HE3 LYS 3 3.850 -0.022 -7.011 22 HZ1 LYS 3 HZ1 LYS 3 1.741 0.717 -8.267 23 HZ2 LYS 3 HZ2 LYS 3 1.743 2.026 -7.196 24 HZ3 LYS 3 HZ3 LYS 3 1.647 0.446 -6.600 25 HA PRO 4 HA PRO 4 9.813 2.572 -2.231 26 HB2 PRO 4 HB2 PRO 4 11.714 4.312 -3.083 27 HB3 PRO 4 HB3 PRO 4 11.983 2.568 -2.986 28 HG2 PRO 4 HG2 PRO 4 11.296 4.249 -5.366 29 HG3 PRO 4 HG3 PRO 4 12.472 2.929 -5.231 30 HD2 PRO 4 HD2 PRO 4 10.018 2.588 -6.324 31 HD3 PRO 4 HD3 PRO 4 10.855 1.299 -5.435 32 H GLN 5 H GLN 5 7.552 3.568 -2.344 33 HA GLN 5 HA GLN 5 7.284 6.259 -3.244 34 HB2 GLN 5 HB2 GLN 5 5.616 4.364 -1.654 35 HB3 GLN 5 HB3 GLN 5 5.223 6.077 -1.591 36 HG2 GLN 5 HG2 GLN 5 4.835 6.160 -3.932 37 HG3 GLN 5 HG3 GLN 5 5.496 4.542 -4.159 38 HE21 GLN 5 HE21 GLN 5 4.325 2.963 -2.469 39 HE22 GLN 5 HE22 GLN 5 2.604 2.987 -2.610 40 H GLN 6 H GLN 6 8.658 4.837 -0.477 41 HA GLN 6 HA GLN 6 8.157 6.686 1.529 42 HB2 GLN 6 HB2 GLN 6 9.437 4.470 1.655 43 HB3 GLN 6 HB3 GLN 6 10.845 5.387 1.133 44 HG2 GLN 6 HG2 GLN 6 11.032 5.326 3.446 45 HG3 GLN 6 HG3 GLN 6 10.358 6.921 3.114 46 HE21 GLN 6 HE21 GLN 6 10.207 5.557 5.584 47 HE22 GLN 6 HE22 GLN 6 8.541 5.246 5.916 48 H GLU 7 H GLU 7 10.181 6.942 -1.279 49 HA GLU 7 HA GLU 7 11.720 9.170 -0.354 50 HB2 GLU 7 HB2 GLU 7 11.554 7.535 -2.753 51 HB3 GLU 7 HB3 GLU 7 11.762 9.238 -3.135 52 HG2 GLU 7 HG2 GLU 7 13.935 8.550 -2.991 53 HG3 GLU 7 HG3 GLU 7 13.654 9.117 -1.346 54 H LEU 8 H LEU 8 8.820 8.769 -2.328 55 HA LEU 8 HA LEU 8 8.496 11.367 -3.240 56 HB2 LEU 8 HB2 LEU 8 7.134 9.394 -3.898 57 HB3 LEU 8 HB3 LEU 8 6.298 9.506 -2.351 58 HG LEU 8 HG LEU 8 5.503 11.773 -3.023 59 HD11 LEU 8 HD11 LEU 8 6.433 11.031 -5.783 60 HD12 LEU 8 HD12 LEU 8 7.354 12.089 -4.714 61 HD13 LEU 8 HD13 LEU 8 5.736 12.556 -5.236 62 HD21 LEU 8 HD21 LEU 8 3.932 10.860 -4.826 63 HD22 LEU 8 HD22 LEU 8 3.925 10.065 -3.252 64 HD23 LEU 8 HD23 LEU 8 4.781 9.329 -4.608 65 H GLU 9 H GLU 9 7.335 9.924 -0.206 66 HA GLU 9 HA GLU 9 5.944 12.071 0.828 67 HB2 GLU 9 HB2 GLU 9 7.640 10.027 2.268 68 HB3 GLU 9 HB3 GLU 9 6.550 11.143 3.080 69 HG2 GLU 9 HG2 GLU 9 4.655 10.180 1.908 70 HG3 GLU 9 HG3 GLU 9 5.732 9.091 1.035 71 H GLU 10 H GLU 10 9.406 11.535 0.696 72 HA GLU 10 HA GLU 10 10.094 13.680 2.451 73 HB2 GLU 10 HB2 GLU 10 11.754 12.233 0.380 74 HB3 GLU 10 HB3 GLU 10 12.388 13.345 1.585 75 HG2 GLU 10 HG2 GLU 10 11.386 11.796 3.326 76 HG3 GLU 10 HG3 GLU 10 11.164 10.641 2.013 77 H CYS 11 H CYS 11 10.006 13.295 -1.075 78 HA CYS 11 HA CYS 11 10.985 15.830 -1.751 79 HB2 CYS 11 HB2 CYS 11 10.483 13.730 -3.229 80 HB3 CYS 11 HB3 CYS 11 8.897 14.470 -3.418 81 H GLN 12 H GLN 12 7.648 14.703 -1.292 82 HA GLN 12 HA GLN 12 6.393 17.145 -1.900 83 HB2 GLN 12 HB2 GLN 12 5.410 14.978 -0.037 84 HB3 GLN 12 HB3 GLN 12 4.425 16.212 -0.811 85 HG2 GLN 12 HG2 GLN 12 5.950 14.720 -2.753 86 HG3 GLN 12 HG3 GLN 12 4.964 13.657 -1.751 87 HE21 GLN 12 HE21 GLN 12 4.858 14.748 -4.615 88 HE22 GLN 12 HE22 GLN 12 3.214 15.246 -4.791 89 H ASN 13 H ASN 13 7.368 15.735 1.214 90 HA ASN 13 HA ASN 13 6.406 17.708 2.904 91 HB2 ASN 13 HB2 ASN 13 7.564 15.447 3.444 92 HB3 ASN 13 HB3 ASN 13 9.056 16.382 3.409 93 HD21 ASN 13 HD21 ASN 13 9.694 16.862 5.370 94 HD22 ASN 13 HD22 ASN 13 8.681 17.329 6.690 95 H VAL 14 H VAL 14 9.369 17.626 1.007 96 HA VAL 14 HA VAL 14 10.550 19.938 2.157 97 HB VAL 14 HB VAL 14 11.019 18.714 -0.566 98 HG11 VAL 14 HG11 VAL 14 11.852 20.946 -0.579 99 HG12 VAL 14 HG12 VAL 14 12.579 20.748 1.017 100 HG13 VAL 14 HG13 VAL 14 13.234 19.871 -0.367 101 HG21 VAL 14 HG21 VAL 14 13.082 18.310 1.421 102 HG22 VAL 14 HG22 VAL 14 11.536 17.645 1.948 103 HG23 VAL 14 HG23 VAL 14 12.240 17.130 0.416 104 H CYS 15 H CYS 15 8.544 19.400 -0.712 105 HA CYS 15 HA CYS 15 8.664 21.976 -1.784 106 HB2 CYS 15 HB2 CYS 15 6.394 19.978 -1.872 107 HB3 CYS 15 HB3 CYS 15 6.522 21.402 -2.899 108 H ARG 16 H ARG 16 6.443 20.592 0.606 109 HA ARG 16 HA ARG 16 4.795 22.866 0.868 110 HB2 ARG 16 HB2 ARG 16 5.374 20.700 2.897 111 HB3 ARG 16 HB3 ARG 16 4.030 21.831 2.960 112 HG2 ARG 16 HG2 ARG 16 2.847 20.732 1.372 113 HG3 ARG 16 HG3 ARG 16 4.291 20.204 0.506 114 HD2 ARG 16 HD2 ARG 16 4.705 18.696 2.549 115 HD3 ARG 16 HD3 ARG 16 3.018 19.018 2.948 116 HE ARG 16 HE ARG 16 3.439 18.097 0.252 117 HH11 ARG 16 HH11 ARG 16 2.881 17.166 3.560 118 HH12 ARG 16 HH12 ARG 16 2.214 15.621 3.149 119 HH21 ARG 16 HH21 ARG 16 2.563 16.066 -0.302 120 HH22 ARG 16 HH22 ARG 16 2.034 14.996 0.952 121 H MET 17 H MET 17 7.958 22.183 1.989 122 HA MET 17 HA MET 17 7.875 24.103 4.158 123 HB2 MET 17 HB2 MET 17 9.892 22.198 3.068 124 HB3 MET 17 HB3 MET 17 10.474 23.579 3.987 125 HG2 MET 17 HG2 MET 17 8.566 22.718 5.653 126 HG3 MET 17 HG3 MET 17 8.990 21.193 4.877 127 HE1 MET 17 HE1 MET 17 10.327 24.099 7.301 128 HE2 MET 17 HE2 MET 17 9.270 22.799 7.852 129 HE3 MET 17 HE3 MET 17 10.943 22.872 8.408 130 H LYS 18 H LYS 18 8.045 24.343 0.882 131 HA LYS 18 HA LYS 18 10.081 26.335 0.605 132 HB2 LYS 18 HB2 LYS 18 7.797 25.612 -1.242 133 HB3 LYS 18 HB3 LYS 18 9.166 26.633 -1.664 134 HG2 LYS 18 HG2 LYS 18 9.250 23.707 -0.963 135 HG3 LYS 18 HG3 LYS 18 9.502 24.428 -2.555 136 HD2 LYS 18 HD2 LYS 18 11.237 24.878 -0.126 137 HD3 LYS 18 HD3 LYS 18 11.622 23.812 -1.479 138 HE2 LYS 18 HE2 LYS 18 11.404 25.847 -2.968 139 HE3 LYS 18 HE3 LYS 18 11.361 26.811 -1.492 140 HZ1 LYS 18 HZ1 LYS 18 13.599 25.962 -2.842 141 HZ2 LYS 18 HZ2 LYS 18 13.539 24.984 -1.463 142 HZ3 LYS 18 HZ3 LYS 18 13.553 26.669 -1.305 143 H ARG 19 H ARG 19 9.920 28.329 1.372 144 HA ARG 19 HA ARG 19 7.310 29.493 1.904 145 HB2 ARG 19 HB2 ARG 19 10.133 30.256 2.596 146 HB3 ARG 19 HB3 ARG 19 8.816 31.405 2.792 147 HG2 ARG 19 HG2 ARG 19 7.838 30.204 4.495 148 HG3 ARG 19 HG3 ARG 19 8.587 28.686 3.995 149 HD2 ARG 19 HD2 ARG 19 9.699 29.338 5.972 150 HD3 ARG 19 HD3 ARG 19 10.801 29.715 4.650 151 HE ARG 19 HE ARG 19 10.620 31.935 5.178 152 HH11 ARG 19 HH11 ARG 19 8.050 30.176 6.735 153 HH12 ARG 19 HH12 ARG 19 7.518 31.529 7.676 154 HH21 ARG 19 HH21 ARG 19 9.928 33.724 6.412 155 HH22 ARG 19 HH22 ARG 19 8.586 33.547 7.492 156 H TRP 20 H TRP 20 7.516 29.215 -0.752 157 HA TRP 20 HA TRP 20 8.332 31.837 -1.798 158 HB2 TRP 20 HB2 TRP 20 8.076 29.119 -3.007 159 HB3 TRP 20 HB3 TRP 20 7.827 30.522 -4.043 160 HD1 TRP 20 HD1 TRP 20 10.511 29.894 -1.301 161 HE1 TRP 20 HE1 TRP 20 12.822 30.309 -2.356 162 HE3 TRP 20 HE3 TRP 20 9.046 30.920 -6.091 163 HZ2 TRP 20 HZ2 TRP 20 13.884 30.984 -4.883 164 HZ3 TRP 20 HZ3 TRP 20 10.771 31.441 -7.766 165 HH2 TRP 20 HH2 TRP 20 13.139 31.472 -7.172 166 H SER 21 H SER 21 5.769 29.457 -2.513 167 HA SER 21 HA SER 21 3.622 31.177 -1.949 168 HB2 SER 21 HB2 SER 21 2.865 31.671 -4.264 169 HB3 SER 21 HB3 SER 21 4.384 32.472 -3.864 170 HG SER 21 HG SER 21 4.734 31.568 -5.819 171 H THR 22 H THR 22 1.562 30.245 -2.468 172 HA THR 22 HA THR 22 1.380 27.517 -2.120 173 HB THR 22 HB THR 22 -0.545 28.880 -1.700 174 HG1 THR 22 HG1 THR 22 -2.032 27.522 -2.559 175 HG21 THR 22 HG21 THR 22 -1.759 30.069 -3.395 176 HG22 THR 22 HG22 THR 22 -0.731 29.406 -4.666 177 HG23 THR 22 HG23 THR 22 -0.066 30.550 -3.500 178 H GLU 23 H GLU 23 1.353 29.351 -5.149 179 HA GLU 23 HA GLU 23 0.770 27.241 -6.889 180 HB2 GLU 23 HB2 GLU 23 2.138 29.881 -7.179 181 HB3 GLU 23 HB3 GLU 23 2.231 28.732 -8.507 182 HG2 GLU 23 HG2 GLU 23 -0.313 28.603 -8.338 183 HG3 GLU 23 HG3 GLU 23 -0.192 30.056 -7.346 184 H MET 24 H MET 24 3.889 28.448 -5.706 185 HA MET 24 HA MET 24 5.496 26.682 -7.211 186 HB2 MET 24 HB2 MET 24 5.903 28.429 -4.833 187 HB3 MET 24 HB3 MET 24 7.106 27.186 -5.151 188 HG2 MET 24 HG2 MET 24 6.244 29.075 -7.304 189 HG3 MET 24 HG3 MET 24 7.460 29.540 -6.116 190 HE1 MET 24 HE1 MET 24 9.076 28.525 -9.724 191 HE2 MET 24 HE2 MET 24 7.516 29.260 -9.356 192 HE3 MET 24 HE3 MET 24 8.984 29.883 -8.602 193 H VAL 25 H VAL 25 4.049 26.449 -4.000 194 HA VAL 25 HA VAL 25 5.333 24.060 -3.212 195 HB VAL 25 HB VAL 25 2.657 25.153 -2.333 196 HG11 VAL 25 HG11 VAL 25 2.822 22.813 -1.781 197 HG12 VAL 25 HG12 VAL 25 4.433 23.050 -1.103 198 HG13 VAL 25 HG13 VAL 25 3.029 23.770 -0.315 199 HG21 VAL 25 HG21 VAL 25 5.280 25.378 -0.885 200 HG22 VAL 25 HG22 VAL 25 4.729 26.601 -2.029 201 HG23 VAL 25 HG23 VAL 25 3.780 26.255 -0.583 202 H HIS 26 H HIS 26 2.109 24.639 -4.611 203 HA HIS 26 HA HIS 26 1.337 21.941 -4.751 204 HB2 HIS 26 HB2 HIS 26 -0.009 24.188 -5.111 205 HB3 HIS 26 HB3 HIS 26 0.379 23.891 -6.803 206 HD1 HIS 26 HD1 HIS 26 -1.712 23.017 -7.802 207 HD2 HIS 26 HD2 HIS 26 -0.901 21.270 -4.121 208 HE1 HIS 26 HE1 HIS 26 -3.477 21.253 -7.492 209 H ARG 27 H ARG 27 2.751 24.068 -7.230 210 HA ARG 27 HA ARG 27 2.846 22.222 -9.312 211 HB2 ARG 27 HB2 ARG 27 3.272 24.632 -9.591 212 HB3 ARG 27 HB3 ARG 27 4.793 24.460 -8.727 213 HG2 ARG 27 HG2 ARG 27 5.150 22.623 -10.655 214 HG3 ARG 27 HG3 ARG 27 4.098 23.761 -11.500 215 HD2 ARG 27 HD2 ARG 27 5.853 25.456 -10.320 216 HD3 ARG 27 HD3 ARG 27 6.885 24.056 -10.606 217 HE ARG 27 HE ARG 27 6.884 24.600 -12.816 218 HH11 ARG 27 HH11 ARG 27 4.061 26.002 -11.339 219 HH12 ARG 27 HH12 ARG 27 3.556 26.825 -12.778 220 HH21 ARG 27 HH21 ARG 27 6.231 25.679 -14.716 221 HH22 ARG 27 HH22 ARG 27 4.791 26.640 -14.698 222 H CYS 28 H CYS 28 5.199 22.881 -6.749 223 HA CYS 28 HA CYS 28 7.229 21.172 -7.664 224 HB2 CYS 28 HB2 CYS 28 7.608 22.860 -5.931 225 HB3 CYS 28 HB3 CYS 28 6.549 21.984 -4.830 226 H GLU 29 H GLU 29 4.619 20.598 -5.314 227 HA GLU 29 HA GLU 29 5.228 17.992 -4.614 228 HB2 GLU 29 HB2 GLU 29 2.589 19.423 -4.857 229 HB3 GLU 29 HB3 GLU 29 2.697 17.766 -4.279 230 HG2 GLU 29 HG2 GLU 29 4.442 18.765 -2.617 231 HG3 GLU 29 HG3 GLU 29 3.634 20.285 -2.996 232 H LYS 30 H LYS 30 2.955 19.028 -7.161 233 HA LYS 30 HA LYS 30 2.363 16.517 -8.185 234 HB2 LYS 30 HB2 LYS 30 2.477 19.222 -9.513 235 HB3 LYS 30 HB3 LYS 30 1.911 17.782 -10.349 236 HG2 LYS 30 HG2 LYS 30 0.303 17.561 -8.318 237 HG3 LYS 30 HG3 LYS 30 0.659 19.275 -8.090 238 HD2 LYS 30 HD2 LYS 30 -0.255 18.141 -10.724 239 HD3 LYS 30 HD3 LYS 30 -1.381 18.720 -9.494 240 HE2 LYS 30 HE2 LYS 30 -1.136 20.618 -10.749 241 HE3 LYS 30 HE3 LYS 30 0.152 20.856 -9.569 242 HZ1 LYS 30 HZ1 LYS 30 0.831 19.415 -12.015 243 HZ2 LYS 30 HZ2 LYS 30 1.756 20.503 -11.109 244 HZ3 LYS 30 HZ3 LYS 30 0.558 21.079 -12.155 245 H LYS 31 H LYS 31 5.072 18.658 -8.888 246 HA LYS 31 HA LYS 31 6.110 17.247 -11.091 247 HB2 LYS 31 HB2 LYS 31 7.147 19.265 -9.170 248 HB3 LYS 31 HB3 LYS 31 8.336 18.344 -10.082 249 HG2 LYS 31 HG2 LYS 31 6.758 19.037 -12.101 250 HG3 LYS 31 HG3 LYS 31 6.386 20.371 -11.005 251 HD2 LYS 31 HD2 LYS 31 8.500 21.232 -11.118 252 HD3 LYS 31 HD3 LYS 31 9.243 19.657 -11.405 253 HE2 LYS 31 HE2 LYS 31 7.469 20.892 -13.474 254 HE3 LYS 31 HE3 LYS 31 9.148 21.407 -13.325 255 HZ1 LYS 31 HZ1 LYS 31 8.069 18.809 -14.160 256 HZ2 LYS 31 HZ2 LYS 31 9.576 18.851 -13.395 257 HZ3 LYS 31 HZ3 LYS 31 9.332 19.714 -14.829 258 H CYS 32 H CYS 32 6.808 17.023 -7.619 259 HA CYS 32 HA CYS 32 8.842 15.097 -7.788 260 HB2 CYS 32 HB2 CYS 32 6.910 15.847 -5.603 261 HB3 CYS 32 HB3 CYS 32 8.098 14.566 -5.384 262 H GLU 33 H GLU 33 5.341 14.802 -7.679 263 HA GLU 33 HA GLU 33 5.344 11.955 -7.365 264 HB2 GLU 33 HB2 GLU 33 3.329 12.694 -6.633 265 HB3 GLU 33 HB3 GLU 33 3.329 14.081 -7.713 266 HG2 GLU 33 HG2 GLU 33 1.517 12.553 -8.236 267 HG3 GLU 33 HG3 GLU 33 2.666 12.658 -9.569 268 H GLU 34 H GLU 34 4.844 14.174 -10.088 269 HA GLU 34 HA GLU 34 4.280 12.239 -12.035 270 HB2 GLU 34 HB2 GLU 34 5.400 15.025 -12.170 271 HB3 GLU 34 HB3 GLU 34 5.220 14.051 -13.623 272 HG2 GLU 34 HG2 GLU 34 2.769 13.833 -12.356 273 HG3 GLU 34 HG3 GLU 34 3.236 15.516 -12.118 274 H LYS 35 H LYS 35 7.366 13.791 -11.181 275 HA LYS 35 HA LYS 35 8.935 12.342 -13.027 276 HB2 LYS 35 HB2 LYS 35 9.351 14.383 -11.137 277 HB3 LYS 35 HB3 LYS 35 10.431 13.075 -10.672 278 HG2 LYS 35 HG2 LYS 35 10.336 13.922 -13.525 279 HG3 LYS 35 HG3 LYS 35 11.203 14.920 -12.355 280 HD2 LYS 35 HD2 LYS 35 12.440 12.844 -11.659 281 HD3 LYS 35 HD3 LYS 35 11.700 12.026 -13.037 282 HE2 LYS 35 HE2 LYS 35 13.719 12.705 -13.921 283 HE3 LYS 35 HE3 LYS 35 12.659 14.032 -14.392 284 HZ1 LYS 35 HZ1 LYS 35 14.873 14.657 -13.396 285 HZ2 LYS 35 HZ2 LYS 35 14.275 14.106 -11.913 286 HZ3 LYS 35 HZ3 LYS 35 13.516 15.394 -12.705 287 H PHE 36 H PHE 36 7.451 11.410 -10.127 288 HA PHE 36 HA PHE 36 9.341 9.422 -9.314 289 HB2 PHE 36 HB2 PHE 36 7.160 10.619 -8.135 290 HB3 PHE 36 HB3 PHE 36 6.565 8.998 -8.476 291 HD1 PHE 36 HD1 PHE 36 8.955 10.986 -6.561 292 HD2 PHE 36 HD2 PHE 36 7.516 7.065 -7.380 293 HE1 PHE 36 HE1 PHE 36 10.114 10.146 -4.560 294 HE2 PHE 36 HE2 PHE 36 8.673 6.219 -5.380 295 HZ PHE 36 HZ PHE 36 9.973 7.760 -3.967 296 H GLU 37 H GLU 37 6.680 9.551 -11.535 297 HA GLU 37 HA GLU 37 5.992 6.862 -11.729 298 HB2 GLU 37 HB2 GLU 37 5.948 9.135 -13.690 299 HB3 GLU 37 HB3 GLU 37 5.494 7.514 -14.197 300 HG2 GLU 37 HG2 GLU 37 3.686 7.450 -12.654 301 HG3 GLU 37 HG3 GLU 37 4.222 8.938 -11.877 302 H ARG 38 H ARG 38 6.476 5.414 -13.615 303 HA ARG 38 HA ARG 38 8.004 4.021 -14.581 304 HB2 ARG 38 HB2 ARG 38 8.918 6.747 -15.476 305 HB3 ARG 38 HB3 ARG 38 9.701 5.277 -16.041 306 HG2 ARG 38 HG2 ARG 38 7.925 4.654 -17.324 307 HG3 ARG 38 HG3 ARG 38 6.750 5.463 -16.285 308 HD2 ARG 38 HD2 ARG 38 8.735 7.056 -17.859 309 HD3 ARG 38 HD3 ARG 38 7.272 6.443 -18.630 310 HE ARG 38 HE ARG 38 6.309 7.673 -16.437 311 HH11 ARG 38 HH11 ARG 38 8.523 8.683 -18.928 312 HH12 ARG 38 HH12 ARG 38 8.083 10.355 -18.823 313 HH21 ARG 38 HH21 ARG 38 5.722 9.873 -16.289 314 HH22 ARG 38 HH22 ARG 38 6.490 11.031 -17.321 315 H GLN 39 H GLN 39 8.539 4.570 -11.864 316 HA GLN 39 HA GLN 39 11.304 5.183 -11.487 317 HB2 GLN 39 HB2 GLN 39 9.078 4.980 -9.844 318 HB3 GLN 39 HB3 GLN 39 10.081 3.621 -9.354 319 HG2 GLN 39 HG2 GLN 39 10.885 6.520 -9.423 320 HG3 GLN 39 HG3 GLN 39 10.577 5.538 -7.992 321 HE21 GLN 39 HE21 GLN 39 12.921 6.745 -9.982 322 HE22 GLN 39 HE22 GLN 39 14.216 5.679 -9.570 323 H GLN 40 H GLN 40 9.481 2.151 -11.006 324 HA GLN 40 HA GLN 40 11.871 0.581 -10.908 325 HB2 GLN 40 HB2 GLN 40 10.484 -1.258 -10.505 326 HB3 GLN 40 HB3 GLN 40 9.609 0.089 -9.789 327 HG2 GLN 40 HG2 GLN 40 9.066 -1.152 -12.477 328 HG3 GLN 40 HG3 GLN 40 8.113 -1.377 -11.011 329 HE21 GLN 40 HE21 GLN 40 8.219 0.219 -13.851 330 HE22 GLN 40 HE22 GLN 40 7.249 1.594 -13.462 331 H ARG 41 H ARG 41 11.997 -1.435 -12.362 332 HA ARG 41 HA ARG 41 12.220 -0.504 -15.070 333 HB2 ARG 41 HB2 ARG 41 13.092 -2.866 -13.526 334 HB3 ARG 41 HB3 ARG 41 12.784 -3.152 -15.234 335 HG2 ARG 41 HG2 ARG 41 14.582 -0.966 -14.220 336 HG3 ARG 41 HG3 ARG 41 15.148 -2.582 -14.648 337 HD2 ARG 41 HD2 ARG 41 14.356 -2.289 -16.919 338 HD3 ARG 41 HD3 ARG 41 13.679 -0.714 -16.505 339 HE ARG 41 HE ARG 41 16.475 -0.855 -15.960 340 HH11 ARG 41 HH11 ARG 41 14.132 -0.409 -18.496 341 HH12 ARG 41 HH12 ARG 41 15.204 0.503 -19.505 342 HH21 ARG 41 HH21 ARG 41 17.897 0.344 -17.280 343 HH22 ARG 41 HH22 ARG 41 17.346 0.930 -18.813 Start of MODEL 18 1 H1 SER 1 H SER 1 12.367 -1.879 -2.004 2 HA SER 1 HA SER 1 10.360 -3.222 -3.481 3 HB2 SER 1 HB2 SER 1 12.594 -4.133 -2.518 4 HB3 SER 1 HB3 SER 1 11.667 -4.398 -1.041 5 HG SER 1 HG SER 1 11.480 -6.254 -2.198 6 H GLU 2 H GLU 2 10.704 -3.050 0.067 7 HA GLU 2 HA GLU 2 8.082 -3.882 0.615 8 HB2 GLU 2 HB2 GLU 2 10.209 -3.652 2.150 9 HB3 GLU 2 HB3 GLU 2 9.531 -2.067 2.497 10 HG2 GLU 2 HG2 GLU 2 8.853 -3.684 4.167 11 HG3 GLU 2 HG3 GLU 2 7.461 -3.108 3.252 12 H LYS 3 H LYS 3 9.495 -0.624 0.512 13 HA LYS 3 HA LYS 3 6.943 0.485 -0.266 14 HB2 LYS 3 HB2 LYS 3 8.101 0.878 2.447 15 HB3 LYS 3 HB3 LYS 3 7.377 2.276 1.665 16 HG2 LYS 3 HG2 LYS 3 5.406 0.550 1.254 17 HG3 LYS 3 HG3 LYS 3 6.111 -0.198 2.689 18 HD2 LYS 3 HD2 LYS 3 4.554 1.259 3.597 19 HD3 LYS 3 HD3 LYS 3 6.043 2.204 3.667 20 HE2 LYS 3 HE2 LYS 3 4.515 3.715 2.795 21 HE3 LYS 3 HE3 LYS 3 5.311 3.089 1.352 22 HZ1 LYS 3 HZ1 LYS 3 3.448 2.059 0.663 23 HZ2 LYS 3 HZ2 LYS 3 2.675 3.211 1.631 24 HZ3 LYS 3 HZ3 LYS 3 2.943 1.650 2.225 25 HA PRO 4 HA PRO 4 10.691 2.517 -2.094 26 HB2 PRO 4 HB2 PRO 4 9.772 2.437 -4.648 27 HB3 PRO 4 HB3 PRO 4 10.658 1.101 -3.903 28 HG2 PRO 4 HG2 PRO 4 7.708 1.440 -4.281 29 HG3 PRO 4 HG3 PRO 4 8.709 -0.003 -4.526 30 HD2 PRO 4 HD2 PRO 4 7.208 0.368 -2.303 31 HD3 PRO 4 HD3 PRO 4 8.750 -0.511 -2.278 32 H GLN 5 H GLN 5 7.375 3.153 -1.800 33 HA GLN 5 HA GLN 5 7.547 5.767 -3.091 34 HB2 GLN 5 HB2 GLN 5 5.268 4.157 -1.966 35 HB3 GLN 5 HB3 GLN 5 5.078 5.855 -2.379 36 HG2 GLN 5 HG2 GLN 5 5.903 5.255 -4.688 37 HG3 GLN 5 HG3 GLN 5 5.728 3.567 -4.210 38 HE21 GLN 5 HE21 GLN 5 3.658 2.743 -3.808 39 HE22 GLN 5 HE22 GLN 5 2.239 3.526 -4.407 40 H GLN 6 H GLN 6 8.944 5.027 -0.549 41 HA GLN 6 HA GLN 6 7.598 6.595 1.478 42 HB2 GLN 6 HB2 GLN 6 9.904 4.771 1.365 43 HB3 GLN 6 HB3 GLN 6 10.094 6.118 2.478 44 HG2 GLN 6 HG2 GLN 6 7.990 5.496 3.573 45 HG3 GLN 6 HG3 GLN 6 7.840 4.125 2.475 46 HE21 GLN 6 HE21 GLN 6 7.887 2.623 4.128 47 HE22 GLN 6 HE22 GLN 6 9.324 2.263 5.016 48 H GLU 7 H GLU 7 10.261 6.943 -0.770 49 HA GLU 7 HA GLU 7 11.339 9.318 0.361 50 HB2 GLU 7 HB2 GLU 7 11.615 7.928 -2.281 51 HB3 GLU 7 HB3 GLU 7 12.277 9.542 -2.066 52 HG2 GLU 7 HG2 GLU 7 13.762 8.814 -0.382 53 HG3 GLU 7 HG3 GLU 7 12.944 7.260 -0.233 54 H LEU 8 H LEU 8 8.654 8.651 -1.702 55 HA LEU 8 HA LEU 8 8.419 11.221 -2.895 56 HB2 LEU 8 HB2 LEU 8 7.370 9.123 -3.745 57 HB3 LEU 8 HB3 LEU 8 6.238 9.203 -2.397 58 HG LEU 8 HG LEU 8 5.345 11.307 -3.269 59 HD11 LEU 8 HD11 LEU 8 6.011 12.133 -5.453 60 HD12 LEU 8 HD12 LEU 8 7.231 10.866 -5.580 61 HD13 LEU 8 HD13 LEU 8 7.387 12.121 -4.350 62 HD21 LEU 8 HD21 LEU 8 4.740 8.858 -4.111 63 HD22 LEU 8 HD22 LEU 8 5.291 9.532 -5.644 64 HD23 LEU 8 HD23 LEU 8 3.965 10.299 -4.768 65 H GLU 9 H GLU 9 7.055 9.729 0.003 66 HA GLU 9 HA GLU 9 5.224 11.694 0.713 67 HB2 GLU 9 HB2 GLU 9 6.918 9.912 2.468 68 HB3 GLU 9 HB3 GLU 9 5.586 10.894 3.062 69 HG2 GLU 9 HG2 GLU 9 4.017 9.667 1.710 70 HG3 GLU 9 HG3 GLU 9 5.326 8.746 0.971 71 H GLU 10 H GLU 10 8.550 11.351 1.967 72 HA GLU 10 HA GLU 10 8.635 13.768 3.346 73 HB2 GLU 10 HB2 GLU 10 11.128 13.557 3.127 74 HB3 GLU 10 HB3 GLU 10 10.321 12.131 3.764 75 HG2 GLU 10 HG2 GLU 10 11.668 11.105 2.276 76 HG3 GLU 10 HG3 GLU 10 10.327 11.465 1.191 77 H CYS 11 H CYS 11 9.551 13.028 0.004 78 HA CYS 11 HA CYS 11 10.630 15.482 -0.717 79 HB2 CYS 11 HB2 CYS 11 10.419 13.241 -2.044 80 HB3 CYS 11 HB3 CYS 11 8.916 13.941 -2.637 81 H GLN 12 H GLN 12 7.256 14.389 -1.055 82 HA GLN 12 HA GLN 12 6.273 16.848 -2.031 83 HB2 GLN 12 HB2 GLN 12 4.752 14.705 -0.539 84 HB3 GLN 12 HB3 GLN 12 4.060 15.948 -1.573 85 HG2 GLN 12 HG2 GLN 12 6.084 14.105 -2.729 86 HG3 GLN 12 HG3 GLN 12 4.454 13.501 -2.438 87 HE21 GLN 12 HE21 GLN 12 2.730 14.370 -3.594 88 HE22 GLN 12 HE22 GLN 12 2.965 15.290 -5.037 89 H ASN 13 H ASN 13 6.193 15.417 1.227 90 HA ASN 13 HA ASN 13 4.826 17.377 2.581 91 HB2 ASN 13 HB2 ASN 13 7.157 15.684 3.490 92 HB3 ASN 13 HB3 ASN 13 6.219 16.700 4.581 93 HD21 ASN 13 HD21 ASN 13 6.238 14.208 5.282 94 HD22 ASN 13 HD22 ASN 13 4.776 13.384 4.872 95 H VAL 14 H VAL 14 8.194 17.370 1.566 96 HA VAL 14 HA VAL 14 8.920 19.737 2.987 97 HB VAL 14 HB VAL 14 10.240 18.375 0.636 98 HG11 VAL 14 HG11 VAL 14 11.065 20.546 0.525 99 HG12 VAL 14 HG12 VAL 14 11.042 20.749 2.278 100 HG13 VAL 14 HG13 VAL 14 12.256 19.715 1.525 101 HG21 VAL 14 HG21 VAL 14 10.005 17.472 3.196 102 HG22 VAL 14 HG22 VAL 14 11.317 17.050 2.095 103 HG23 VAL 14 HG23 VAL 14 11.533 18.350 3.266 104 H CYS 15 H CYS 15 7.947 19.047 -0.350 105 HA CYS 15 HA CYS 15 8.349 21.578 -1.441 106 HB2 CYS 15 HB2 CYS 15 6.329 19.435 -2.109 107 HB3 CYS 15 HB3 CYS 15 6.535 20.895 -3.072 108 H ARG 16 H ARG 16 5.578 20.264 0.313 109 HA ARG 16 HA ARG 16 3.925 22.555 -0.058 110 HB2 ARG 16 HB2 ARG 16 3.747 20.412 2.067 111 HB3 ARG 16 HB3 ARG 16 2.473 21.537 1.616 112 HG2 ARG 16 HG2 ARG 16 1.938 20.396 -0.266 113 HG3 ARG 16 HG3 ARG 16 3.592 19.843 -0.534 114 HD2 ARG 16 HD2 ARG 16 3.235 18.386 1.543 115 HD3 ARG 16 HD3 ARG 16 1.520 18.738 1.336 116 HE ARG 16 HE ARG 16 2.822 17.733 -1.031 117 HH11 ARG 16 HH11 ARG 16 1.127 16.915 1.898 118 HH12 ARG 16 HH12 ARG 16 0.602 15.370 1.317 119 HH21 ARG 16 HH21 ARG 16 2.136 15.701 -1.807 120 HH22 ARG 16 HH22 ARG 16 1.177 14.680 -0.790 121 H MET 17 H MET 17 6.570 21.874 1.972 122 HA MET 17 HA MET 17 5.797 23.861 3.966 123 HB2 MET 17 HB2 MET 17 7.721 21.641 3.838 124 HB3 MET 17 HB3 MET 17 8.324 23.077 4.654 125 HG2 MET 17 HG2 MET 17 5.689 22.558 5.580 126 HG3 MET 17 HG3 MET 17 6.618 21.063 5.657 127 HE1 MET 17 HE1 MET 17 6.873 21.653 9.160 128 HE2 MET 17 HE2 MET 17 5.806 23.005 8.780 129 HE3 MET 17 HE3 MET 17 5.629 21.473 7.922 130 H LYS 18 H LYS 18 6.886 24.123 0.997 131 HA LYS 18 HA LYS 18 9.236 25.727 1.310 132 HB2 LYS 18 HB2 LYS 18 7.355 25.357 -1.027 133 HB3 LYS 18 HB3 LYS 18 8.850 26.281 -1.100 134 HG2 LYS 18 HG2 LYS 18 8.592 23.336 -0.527 135 HG3 LYS 18 HG3 LYS 18 9.187 24.075 -2.016 136 HD2 LYS 18 HD2 LYS 18 10.842 25.246 -0.274 137 HD3 LYS 18 HD3 LYS 18 10.512 23.758 0.616 138 HE2 LYS 18 HE2 LYS 18 12.470 23.447 -0.751 139 HE3 LYS 18 HE3 LYS 18 11.155 22.463 -1.390 140 HZ1 LYS 18 HZ1 LYS 18 11.574 23.419 -3.333 141 HZ2 LYS 18 HZ2 LYS 18 12.606 24.569 -2.646 142 HZ3 LYS 18 HZ3 LYS 18 10.940 24.856 -2.703 143 H ARG 19 H ARG 19 9.335 27.781 1.913 144 HA ARG 19 HA ARG 19 6.879 29.346 2.057 145 HB2 ARG 19 HB2 ARG 19 9.641 29.709 3.203 146 HB3 ARG 19 HB3 ARG 19 8.436 30.988 3.260 147 HG2 ARG 19 HG2 ARG 19 6.949 29.562 4.543 148 HG3 ARG 19 HG3 ARG 19 8.110 28.238 4.442 149 HD2 ARG 19 HD2 ARG 19 9.748 29.593 5.664 150 HD3 ARG 19 HD3 ARG 19 8.575 30.906 5.771 151 HE ARG 19 HE ARG 19 7.530 28.496 6.855 152 HH11 ARG 19 HH11 ARG 19 9.702 31.131 7.532 153 HH12 ARG 19 HH12 ARG 19 9.524 31.008 9.251 154 HH21 ARG 19 HH21 ARG 19 7.287 28.324 9.117 155 HH22 ARG 19 HH22 ARG 19 8.150 29.411 10.152 156 H TRP 20 H TRP 20 7.676 28.928 -0.542 157 HA TRP 20 HA TRP 20 8.930 31.458 -1.357 158 HB2 TRP 20 HB2 TRP 20 8.766 28.745 -2.580 159 HB3 TRP 20 HB3 TRP 20 8.832 30.131 -3.665 160 HD1 TRP 20 HD1 TRP 20 10.943 28.213 -1.122 161 HE1 TRP 20 HE1 TRP 20 13.398 28.943 -1.369 162 HE3 TRP 20 HE3 TRP 20 10.311 32.091 -4.393 163 HZ2 TRP 20 HZ2 TRP 20 14.873 30.904 -2.765 164 HZ3 TRP 20 HZ3 TRP 20 12.295 33.344 -5.134 165 HH2 TRP 20 HH2 TRP 20 14.527 32.761 -4.336 166 H SER 21 H SER 21 6.417 29.282 -2.661 167 HA SER 21 HA SER 21 4.345 31.174 -2.608 168 HB2 SER 21 HB2 SER 21 4.200 31.688 -5.044 169 HB3 SER 21 HB3 SER 21 5.619 32.396 -4.273 170 HG SER 21 HG SER 21 6.445 31.462 -6.037 171 H THR 22 H THR 22 2.390 30.366 -3.466 172 HA THR 22 HA THR 22 1.979 27.647 -3.279 173 HB THR 22 HB THR 22 0.111 29.162 -3.147 174 HG1 THR 22 HG1 THR 22 -1.281 28.095 -4.766 175 HG21 THR 22 HG21 THR 22 -0.718 30.439 -4.993 176 HG22 THR 22 HG22 THR 22 0.432 29.689 -6.100 177 HG23 THR 22 HG23 THR 22 1.004 30.784 -4.841 178 H GLU 23 H GLU 23 2.699 29.572 -6.149 179 HA GLU 23 HA GLU 23 2.259 27.601 -8.087 180 HB2 GLU 23 HB2 GLU 23 3.894 30.097 -7.963 181 HB3 GLU 23 HB3 GLU 23 4.146 28.993 -9.308 182 HG2 GLU 23 HG2 GLU 23 1.569 30.341 -8.541 183 HG3 GLU 23 HG3 GLU 23 2.576 30.694 -9.943 184 H MET 24 H MET 24 5.169 28.414 -6.234 185 HA MET 24 HA MET 24 6.883 26.571 -7.512 186 HB2 MET 24 HB2 MET 24 6.952 28.062 -4.918 187 HB3 MET 24 HB3 MET 24 8.135 26.796 -5.217 188 HG2 MET 24 HG2 MET 24 7.682 29.064 -7.128 189 HG3 MET 24 HG3 MET 24 8.818 29.162 -5.785 190 HE1 MET 24 HE1 MET 24 10.865 28.704 -5.760 191 HE2 MET 24 HE2 MET 24 11.222 26.983 -5.900 192 HE3 MET 24 HE3 MET 24 11.884 28.119 -7.076 193 H VAL 25 H VAL 25 4.719 26.308 -4.750 194 HA VAL 25 HA VAL 25 5.597 23.808 -3.800 195 HB VAL 25 HB VAL 25 2.828 25.006 -3.629 196 HG11 VAL 25 HG11 VAL 25 2.581 23.547 -1.654 197 HG12 VAL 25 HG12 VAL 25 2.785 22.634 -3.150 198 HG13 VAL 25 HG13 VAL 25 4.137 22.808 -2.030 199 HG21 VAL 25 HG21 VAL 25 5.275 25.842 -2.479 200 HG22 VAL 25 HG22 VAL 25 3.653 26.463 -2.170 201 HG23 VAL 25 HG23 VAL 25 4.294 25.143 -1.191 202 H HIS 26 H HIS 26 2.976 24.660 -6.047 203 HA HIS 26 HA HIS 26 2.048 22.063 -6.521 204 HB2 HIS 26 HB2 HIS 26 1.277 24.544 -7.325 205 HB3 HIS 26 HB3 HIS 26 1.965 23.915 -8.819 206 HD1 HIS 26 HD1 HIS 26 -0.102 23.427 -10.137 207 HD2 HIS 26 HD2 HIS 26 -0.252 21.829 -6.305 208 HE1 HIS 26 HE1 HIS 26 -2.176 22.005 -10.082 209 H ARG 27 H ARG 27 4.457 23.992 -8.286 210 HA ARG 27 HA ARG 27 5.030 22.041 -10.241 211 HB2 ARG 27 HB2 ARG 27 6.743 24.297 -9.185 212 HB3 ARG 27 HB3 ARG 27 7.102 23.357 -10.627 213 HG2 ARG 27 HG2 ARG 27 5.140 24.184 -11.728 214 HG3 ARG 27 HG3 ARG 27 4.607 24.997 -10.255 215 HD2 ARG 27 HD2 ARG 27 6.636 26.403 -10.340 216 HD3 ARG 27 HD3 ARG 27 7.081 25.627 -11.859 217 HE ARG 27 HE ARG 27 4.488 26.674 -12.093 218 HH11 ARG 27 HH11 ARG 27 7.790 27.737 -11.804 219 HH12 ARG 27 HH12 ARG 27 7.527 29.216 -12.668 220 HH21 ARG 27 HH21 ARG 27 4.128 28.618 -13.231 221 HH22 ARG 27 HH22 ARG 27 5.443 29.716 -13.478 222 H CYS 28 H CYS 28 6.504 22.772 -7.107 223 HA CYS 28 HA CYS 28 8.668 21.011 -7.253 224 HB2 CYS 28 HB2 CYS 28 8.367 22.756 -5.507 225 HB3 CYS 28 HB3 CYS 28 7.099 21.773 -4.782 226 H GLU 29 H GLU 29 5.407 20.491 -5.931 227 HA GLU 29 HA GLU 29 5.749 17.859 -5.084 228 HB2 GLU 29 HB2 GLU 29 3.303 19.317 -6.079 229 HB3 GLU 29 HB3 GLU 29 3.241 17.686 -5.426 230 HG2 GLU 29 HG2 GLU 29 4.549 18.891 -3.434 231 HG3 GLU 29 HG3 GLU 29 3.638 20.267 -4.053 232 H LYS 30 H LYS 30 4.383 19.015 -8.168 233 HA LYS 30 HA LYS 30 4.001 16.548 -9.377 234 HB2 LYS 30 HB2 LYS 30 4.634 19.261 -10.525 235 HB3 LYS 30 HB3 LYS 30 4.336 17.864 -11.551 236 HG2 LYS 30 HG2 LYS 30 2.141 17.636 -10.213 237 HG3 LYS 30 HG3 LYS 30 2.449 19.307 -9.736 238 HD2 LYS 30 HD2 LYS 30 1.197 19.656 -11.619 239 HD3 LYS 30 HD3 LYS 30 2.811 19.618 -12.332 240 HE2 LYS 30 HE2 LYS 30 1.721 18.173 -13.730 241 HE3 LYS 30 HE3 LYS 30 2.303 17.040 -12.511 242 HZ1 LYS 30 HZ1 LYS 30 0.182 16.984 -11.494 243 HZ2 LYS 30 HZ2 LYS 30 -0.078 16.776 -13.153 244 HZ3 LYS 30 HZ3 LYS 30 -0.393 18.273 -12.429 245 H LYS 31 H LYS 31 6.923 18.421 -8.976 246 HA LYS 31 HA LYS 31 8.510 16.992 -10.852 247 HB2 LYS 31 HB2 LYS 31 8.984 18.975 -8.701 248 HB3 LYS 31 HB3 LYS 31 10.350 17.954 -9.130 249 HG2 LYS 31 HG2 LYS 31 10.447 18.778 -11.300 250 HG3 LYS 31 HG3 LYS 31 8.796 19.401 -11.239 251 HD2 LYS 31 HD2 LYS 31 10.083 21.324 -11.042 252 HD3 LYS 31 HD3 LYS 31 9.697 20.937 -9.363 253 HE2 LYS 31 HE2 LYS 31 11.947 21.317 -9.186 254 HE3 LYS 31 HE3 LYS 31 11.948 19.583 -9.507 255 HZ1 LYS 31 HZ1 LYS 31 12.597 19.914 -11.702 256 HZ2 LYS 31 HZ2 LYS 31 13.531 21.034 -10.845 257 HZ3 LYS 31 HZ3 LYS 31 12.166 21.551 -11.700 258 H CYS 32 H CYS 32 8.205 16.796 -7.311 259 HA CYS 32 HA CYS 32 10.028 14.742 -6.871 260 HB2 CYS 32 HB2 CYS 32 7.539 15.589 -5.404 261 HB3 CYS 32 HB3 CYS 32 8.523 14.242 -4.841 262 H GLU 33 H GLU 33 6.605 14.592 -7.737 263 HA GLU 33 HA GLU 33 6.472 11.734 -7.581 264 HB2 GLU 33 HB2 GLU 33 4.353 12.497 -7.332 265 HB3 GLU 33 HB3 GLU 33 4.648 13.938 -8.294 266 HG2 GLU 33 HG2 GLU 33 2.994 12.505 -9.340 267 HG3 GLU 33 HG3 GLU 33 4.441 12.639 -10.337 268 H GLU 34 H GLU 34 6.682 14.092 -10.227 269 HA GLU 34 HA GLU 34 6.566 12.304 -12.363 270 HB2 GLU 34 HB2 GLU 34 7.752 15.029 -12.000 271 HB3 GLU 34 HB3 GLU 34 8.054 14.147 -13.490 272 HG2 GLU 34 HG2 GLU 34 5.253 14.106 -12.788 273 HG3 GLU 34 HG3 GLU 34 5.871 15.752 -12.911 274 H LYS 35 H LYS 35 9.437 13.636 -10.730 275 HA LYS 35 HA LYS 35 11.314 12.121 -12.195 276 HB2 LYS 35 HB2 LYS 35 11.386 14.104 -10.202 277 HB3 LYS 35 HB3 LYS 35 12.247 12.724 -9.531 278 HG2 LYS 35 HG2 LYS 35 12.848 13.819 -12.261 279 HG3 LYS 35 HG3 LYS 35 13.624 14.428 -10.797 280 HD2 LYS 35 HD2 LYS 35 14.456 12.178 -10.305 281 HD3 LYS 35 HD3 LYS 35 13.676 11.569 -11.767 282 HE2 LYS 35 HE2 LYS 35 15.699 13.791 -11.831 283 HE3 LYS 35 HE3 LYS 35 16.167 12.093 -11.905 284 HZ1 LYS 35 HZ1 LYS 35 14.853 13.746 -13.907 285 HZ2 LYS 35 HZ2 LYS 35 14.320 12.145 -13.795 286 HZ3 LYS 35 HZ3 LYS 35 15.950 12.473 -14.104 287 H PHE 36 H PHE 36 9.132 11.232 -9.763 288 HA PHE 36 HA PHE 36 10.658 9.125 -8.577 289 HB2 PHE 36 HB2 PHE 36 8.303 10.422 -7.949 290 HB3 PHE 36 HB3 PHE 36 7.751 8.826 -8.447 291 HD1 PHE 36 HD1 PHE 36 9.774 10.685 -6.018 292 HD2 PHE 36 HD2 PHE 36 8.231 6.880 -7.139 293 HE1 PHE 36 HE1 PHE 36 10.377 9.793 -3.806 294 HE2 PHE 36 HE2 PHE 36 8.831 5.982 -4.929 295 HZ PHE 36 HZ PHE 36 9.905 7.439 -3.258 296 H GLU 37 H GLU 37 8.164 9.296 -11.086 297 HA GLU 37 HA GLU 37 8.044 6.490 -11.527 298 HB2 GLU 37 HB2 GLU 37 6.150 7.693 -12.225 299 HB3 GLU 37 HB3 GLU 37 7.114 8.890 -13.078 300 HG2 GLU 37 HG2 GLU 37 5.965 7.451 -14.641 301 HG3 GLU 37 HG3 GLU 37 7.708 7.219 -14.757 302 H ARG 38 H ARG 38 9.746 5.365 -12.206 303 HA ARG 38 HA ARG 38 11.908 6.469 -13.666 304 HB2 ARG 38 HB2 ARG 38 11.087 3.700 -12.876 305 HB3 ARG 38 HB3 ARG 38 12.387 3.916 -14.040 306 HG2 ARG 38 HG2 ARG 38 13.636 3.879 -12.161 307 HG3 ARG 38 HG3 ARG 38 13.241 5.599 -12.160 308 HD2 ARG 38 HD2 ARG 38 12.831 4.814 -9.964 309 HD3 ARG 38 HD3 ARG 38 11.253 5.022 -10.723 310 HE ARG 38 HE ARG 38 12.070 2.378 -11.114 311 HH11 ARG 38 HH11 ARG 38 11.133 4.502 -8.519 312 HH12 ARG 38 HH12 ARG 38 10.499 3.228 -7.531 313 HH21 ARG 38 HH21 ARG 38 11.239 0.692 -9.822 314 HH22 ARG 38 HH22 ARG 38 10.560 1.061 -8.273 315 H GLN 39 H GLN 39 9.589 3.947 -14.673 316 HA GLN 39 HA GLN 39 10.262 4.108 -17.409 317 HB2 GLN 39 HB2 GLN 39 8.441 2.611 -15.760 318 HB3 GLN 39 HB3 GLN 39 7.615 3.158 -17.212 319 HG2 GLN 39 HG2 GLN 39 9.515 2.197 -18.536 320 HG3 GLN 39 HG3 GLN 39 10.100 1.479 -17.036 321 HE21 GLN 39 HE21 GLN 39 9.637 -0.592 -16.983 322 HE22 GLN 39 HE22 GLN 39 8.158 -1.323 -17.495 323 H GLN 40 H GLN 40 10.053 5.976 -18.483 324 HA GLN 40 HA GLN 40 7.910 7.817 -17.966 325 HB2 GLN 40 HB2 GLN 40 8.953 9.248 -19.537 326 HB3 GLN 40 HB3 GLN 40 10.261 8.445 -18.678 327 HG2 GLN 40 HG2 GLN 40 10.431 6.839 -20.566 328 HG3 GLN 40 HG3 GLN 40 9.238 7.805 -21.433 329 HE21 GLN 40 HE21 GLN 40 10.824 8.113 -23.066 330 HE22 GLN 40 HE22 GLN 40 12.076 9.286 -22.866 331 H ARG 41 H ARG 41 6.110 8.218 -19.172 332 HA ARG 41 HA ARG 41 5.307 6.123 -21.014 333 HB2 ARG 41 HB2 ARG 41 3.962 7.680 -19.142 334 HB3 ARG 41 HB3 ARG 41 3.423 8.315 -20.690 335 HG2 ARG 41 HG2 ARG 41 3.293 5.431 -19.833 336 HG3 ARG 41 HG3 ARG 41 1.941 6.565 -19.867 337 HD2 ARG 41 HD2 ARG 41 2.347 6.850 -22.317 338 HD3 ARG 41 HD3 ARG 41 3.538 5.553 -22.213 339 HE ARG 41 HE ARG 41 0.995 4.781 -21.165 340 HH11 ARG 41 HH11 ARG 41 2.826 5.189 -24.098 341 HH12 ARG 41 HH12 ARG 41 1.904 4.025 -24.990 342 HH21 ARG 41 HH21 ARG 41 -0.227 3.247 -22.329 343 HH22 ARG 41 HH22 ARG 41 0.167 2.921 -23.983 Start of MODEL 19 1 H1 SER 1 H SER 1 8.188 -3.655 -5.938 2 HA SER 1 HA SER 1 10.764 -4.059 -4.640 3 HB2 SER 1 HB2 SER 1 9.699 -1.350 -5.449 4 HB3 SER 1 HB3 SER 1 10.931 -1.563 -4.204 5 HG SER 1 HG SER 1 12.327 -2.340 -5.710 6 H GLU 2 H GLU 2 10.771 -3.197 -2.399 7 HA GLU 2 HA GLU 2 8.429 -4.003 -1.027 8 HB2 GLU 2 HB2 GLU 2 11.053 -2.820 -0.242 9 HB3 GLU 2 HB3 GLU 2 9.743 -2.793 0.930 10 HG2 GLU 2 HG2 GLU 2 9.583 -5.349 0.219 11 HG3 GLU 2 HG3 GLU 2 11.286 -5.076 -0.143 12 H LYS 3 H LYS 3 9.901 -0.819 -1.581 13 HA LYS 3 HA LYS 3 7.301 0.434 -1.448 14 HB2 LYS 3 HB2 LYS 3 9.319 0.703 0.722 15 HB3 LYS 3 HB3 LYS 3 8.456 2.156 0.235 16 HG2 LYS 3 HG2 LYS 3 6.359 0.577 0.503 17 HG3 LYS 3 HG3 LYS 3 7.452 -0.288 1.586 18 HD2 LYS 3 HD2 LYS 3 7.895 1.963 2.685 19 HD3 LYS 3 HD3 LYS 3 6.507 2.563 1.773 20 HE2 LYS 3 HE2 LYS 3 5.575 1.955 3.811 21 HE3 LYS 3 HE3 LYS 3 5.255 0.552 2.794 22 HZ1 LYS 3 HZ1 LYS 3 7.214 0.847 4.974 23 HZ2 LYS 3 HZ2 LYS 3 7.466 -0.304 3.761 24 HZ3 LYS 3 HZ3 LYS 3 6.076 -0.379 4.722 25 HA PRO 4 HA PRO 4 10.328 2.319 -4.416 26 HB2 PRO 4 HB2 PRO 4 8.607 2.339 -6.516 27 HB3 PRO 4 HB3 PRO 4 9.618 0.945 -6.115 28 HG2 PRO 4 HG2 PRO 4 6.733 1.436 -5.484 29 HG3 PRO 4 HG3 PRO 4 7.516 -0.048 -6.056 30 HD2 PRO 4 HD2 PRO 4 6.865 0.347 -3.458 31 HD3 PRO 4 HD3 PRO 4 8.278 -0.607 -3.954 32 H GLN 5 H GLN 5 7.340 3.109 -3.026 33 HA GLN 5 HA GLN 5 7.186 5.729 -4.300 34 HB2 GLN 5 HB2 GLN 5 5.383 4.274 -2.371 35 HB3 GLN 5 HB3 GLN 5 5.128 5.954 -2.823 36 HG2 GLN 5 HG2 GLN 5 4.991 5.234 -5.195 37 HG3 GLN 5 HG3 GLN 5 5.084 3.561 -4.645 38 HE21 GLN 5 HE21 GLN 5 2.977 3.885 -6.016 39 HE22 GLN 5 HE22 GLN 5 1.549 4.132 -5.075 40 H GLN 6 H GLN 6 9.274 4.756 -2.278 41 HA GLN 6 HA GLN 6 8.845 6.406 0.035 42 HB2 GLN 6 HB2 GLN 6 10.197 4.243 -0.057 43 HB3 GLN 6 HB3 GLN 6 11.464 5.189 -0.827 44 HG2 GLN 6 HG2 GLN 6 11.341 6.720 1.192 45 HG3 GLN 6 HG3 GLN 6 10.370 5.460 1.951 46 HE21 GLN 6 HE21 GLN 6 13.038 6.535 2.607 47 HE22 GLN 6 HE22 GLN 6 14.090 5.165 2.641 48 H GLU 7 H GLU 7 10.370 6.755 -3.063 49 HA GLU 7 HA GLU 7 11.937 9.053 -2.359 50 HB2 GLU 7 HB2 GLU 7 11.620 7.340 -4.645 51 HB3 GLU 7 HB3 GLU 7 11.501 9.020 -5.149 52 HG2 GLU 7 HG2 GLU 7 13.655 9.190 -3.571 53 HG3 GLU 7 HG3 GLU 7 13.805 7.513 -4.094 54 H LEU 8 H LEU 8 8.722 8.474 -3.577 55 HA LEU 8 HA LEU 8 8.197 11.101 -4.507 56 HB2 LEU 8 HB2 LEU 8 6.902 9.071 -5.127 57 HB3 LEU 8 HB3 LEU 8 6.228 9.053 -3.499 58 HG LEU 8 HG LEU 8 5.039 11.091 -3.896 59 HD11 LEU 8 HD11 LEU 8 5.164 12.284 -6.024 60 HD12 LEU 8 HD12 LEU 8 6.422 11.178 -6.574 61 HD13 LEU 8 HD13 LEU 8 6.728 12.254 -5.211 62 HD21 LEU 8 HD21 LEU 8 3.415 10.258 -5.268 63 HD22 LEU 8 HD22 LEU 8 4.336 8.784 -4.965 64 HD23 LEU 8 HD23 LEU 8 4.568 9.677 -6.469 65 H GLU 9 H GLU 9 7.219 9.432 -1.510 66 HA GLU 9 HA GLU 9 5.911 11.469 -0.231 67 HB2 GLU 9 HB2 GLU 9 6.640 10.419 1.901 68 HB3 GLU 9 HB3 GLU 9 6.013 9.263 0.734 69 HG2 GLU 9 HG2 GLU 9 8.215 8.520 0.183 70 HG3 GLU 9 HG3 GLU 9 8.941 9.801 1.152 71 H GLU 10 H GLU 10 9.369 11.042 -0.630 72 HA GLU 10 HA GLU 10 10.121 13.103 1.199 73 HB2 GLU 10 HB2 GLU 10 11.687 11.861 -1.070 74 HB3 GLU 10 HB3 GLU 10 12.358 12.873 0.201 75 HG2 GLU 10 HG2 GLU 10 10.936 10.287 0.754 76 HG3 GLU 10 HG3 GLU 10 12.672 10.390 0.467 77 H CYS 11 H CYS 11 9.825 12.918 -2.334 78 HA CYS 11 HA CYS 11 10.696 15.494 -2.945 79 HB2 CYS 11 HB2 CYS 11 10.065 13.477 -4.488 80 HB3 CYS 11 HB3 CYS 11 8.467 14.215 -4.489 81 H GLN 12 H GLN 12 7.414 14.321 -2.258 82 HA GLN 12 HA GLN 12 6.095 16.773 -2.614 83 HB2 GLN 12 HB2 GLN 12 5.299 14.552 -0.728 84 HB3 GLN 12 HB3 GLN 12 4.244 15.777 -1.420 85 HG2 GLN 12 HG2 GLN 12 5.751 13.809 -3.111 86 HG3 GLN 12 HG3 GLN 12 4.153 13.469 -2.449 87 HE21 GLN 12 HE21 GLN 12 2.375 14.646 -3.192 88 HE22 GLN 12 HE22 GLN 12 2.423 15.527 -4.677 89 H ASN 13 H ASN 13 7.194 15.204 0.393 90 HA ASN 13 HA ASN 13 6.457 17.137 2.206 91 HB2 ASN 13 HB2 ASN 13 7.397 14.972 2.864 92 HB3 ASN 13 HB3 ASN 13 8.974 15.456 2.246 93 HD21 ASN 13 HD21 ASN 13 9.918 15.154 4.266 94 HD22 ASN 13 HD22 ASN 13 9.677 16.270 5.563 95 H VAL 14 H VAL 14 9.433 16.986 0.282 96 HA VAL 14 HA VAL 14 10.691 19.247 1.363 97 HB VAL 14 HB VAL 14 10.919 18.118 -1.430 98 HG11 VAL 14 HG11 VAL 14 11.880 20.197 -1.663 99 HG12 VAL 14 HG12 VAL 14 12.413 20.259 0.018 100 HG13 VAL 14 HG13 VAL 14 13.263 19.236 -1.142 101 HG21 VAL 14 HG21 VAL 14 11.578 16.913 0.939 102 HG22 VAL 14 HG22 VAL 14 12.295 16.543 -0.629 103 HG23 VAL 14 HG23 VAL 14 13.098 17.672 0.463 104 H CYS 15 H CYS 15 8.420 18.906 -1.325 105 HA CYS 15 HA CYS 15 8.552 21.527 -2.299 106 HB2 CYS 15 HB2 CYS 15 6.247 19.568 -2.301 107 HB3 CYS 15 HB3 CYS 15 6.279 21.064 -3.229 108 H ARG 16 H ARG 16 6.444 20.090 0.168 109 HA ARG 16 HA ARG 16 4.957 22.444 0.678 110 HB2 ARG 16 HB2 ARG 16 5.460 20.101 2.521 111 HB3 ARG 16 HB3 ARG 16 4.179 21.293 2.685 112 HG2 ARG 16 HG2 ARG 16 2.909 20.359 1.062 113 HG3 ARG 16 HG3 ARG 16 4.305 19.817 0.128 114 HD2 ARG 16 HD2 ARG 16 4.682 18.163 2.066 115 HD3 ARG 16 HD3 ARG 16 3.019 18.538 2.515 116 HE ARG 16 HE ARG 16 3.361 17.771 -0.241 117 HH11 ARG 16 HH11 ARG 16 2.783 16.669 3.010 118 HH12 ARG 16 HH12 ARG 16 2.029 15.190 2.513 119 HH21 ARG 16 HH21 ARG 16 2.371 15.828 -0.908 120 HH22 ARG 16 HH22 ARG 16 1.796 14.712 0.285 121 H MET 17 H MET 17 8.108 21.451 1.570 122 HA MET 17 HA MET 17 8.251 23.237 3.863 123 HB2 MET 17 HB2 MET 17 9.883 21.050 2.769 124 HB3 MET 17 HB3 MET 17 10.814 22.386 3.433 125 HG2 MET 17 HG2 MET 17 8.672 21.681 5.209 126 HG3 MET 17 HG3 MET 17 9.643 20.265 4.816 127 HE1 MET 17 HE1 MET 17 8.995 23.216 6.553 128 HE2 MET 17 HE2 MET 17 9.883 22.735 8.000 129 HE3 MET 17 HE3 MET 17 10.501 24.033 6.976 130 H LYS 18 H LYS 18 8.236 23.740 0.682 131 HA LYS 18 HA LYS 18 10.554 25.382 0.326 132 HB2 LYS 18 HB2 LYS 18 8.007 25.157 -1.287 133 HB3 LYS 18 HB3 LYS 18 9.421 26.080 -1.780 134 HG2 LYS 18 HG2 LYS 18 9.296 23.103 -1.347 135 HG3 LYS 18 HG3 LYS 18 9.374 23.939 -2.899 136 HD2 LYS 18 HD2 LYS 18 11.489 23.990 -0.745 137 HD3 LYS 18 HD3 LYS 18 11.565 23.073 -2.252 138 HE2 LYS 18 HE2 LYS 18 11.221 25.374 -3.386 139 HE3 LYS 18 HE3 LYS 18 11.715 26.036 -1.828 140 HZ1 LYS 18 HZ1 LYS 18 13.767 25.824 -2.645 141 HZ2 LYS 18 HZ2 LYS 18 13.297 24.745 -3.860 142 HZ3 LYS 18 HZ3 LYS 18 13.607 24.176 -2.297 143 H ARG 19 H ARG 19 10.637 27.649 0.138 144 HA ARG 19 HA ARG 19 8.672 29.018 1.815 145 HB2 ARG 19 HB2 ARG 19 11.435 29.766 0.866 146 HB3 ARG 19 HB3 ARG 19 10.380 30.898 1.701 147 HG2 ARG 19 HG2 ARG 19 10.323 29.438 3.645 148 HG3 ARG 19 HG3 ARG 19 11.345 28.269 2.807 149 HD2 ARG 19 HD2 ARG 19 12.775 29.511 4.226 150 HD3 ARG 19 HD3 ARG 19 13.061 30.102 2.590 151 HE ARG 19 HE ARG 19 11.102 31.624 4.039 152 HH11 ARG 19 HH11 ARG 19 14.498 31.204 3.400 153 HH12 ARG 19 HH12 ARG 19 14.910 32.837 3.806 154 HH21 ARG 19 HH21 ARG 19 11.632 33.777 4.576 155 HH22 ARG 19 HH22 ARG 19 13.279 34.299 4.476 156 H TRP 20 H TRP 20 8.076 28.251 -0.947 157 HA TRP 20 HA TRP 20 7.869 30.886 -2.232 158 HB2 TRP 20 HB2 TRP 20 7.644 28.090 -3.356 159 HB3 TRP 20 HB3 TRP 20 7.264 29.540 -4.281 160 HD1 TRP 20 HD1 TRP 20 10.161 27.433 -3.110 161 HE1 TRP 20 HE1 TRP 20 12.355 28.391 -4.055 162 HE3 TRP 20 HE3 TRP 20 8.389 31.865 -4.940 163 HZ2 TRP 20 HZ2 TRP 20 13.220 30.719 -5.397 164 HZ3 TRP 20 HZ3 TRP 20 9.965 33.401 -6.040 165 HH2 TRP 20 HH2 TRP 20 12.330 32.839 -6.262 166 H SER 21 H SER 21 5.804 31.093 -3.613 167 HA SER 21 HA SER 21 3.594 31.153 -1.883 168 HB2 SER 21 HB2 SER 21 2.300 31.849 -3.833 169 HB3 SER 21 HB3 SER 21 3.867 32.658 -3.833 170 HG SER 21 HG SER 21 3.916 31.902 -5.808 171 H THR 22 H THR 22 1.487 30.098 -2.254 172 HA THR 22 HA THR 22 1.605 27.352 -2.029 173 HB THR 22 HB THR 22 -0.360 28.656 -1.353 174 HG1 THR 22 HG1 THR 22 -0.851 26.530 -1.589 175 HG21 THR 22 HG21 THR 22 -1.619 29.905 -2.745 176 HG22 THR 22 HG22 THR 22 -1.542 28.714 -4.043 177 HG23 THR 22 HG23 THR 22 -0.207 29.840 -3.798 178 H GLU 23 H GLU 23 1.451 29.312 -4.910 179 HA GLU 23 HA GLU 23 0.626 27.348 -6.743 180 HB2 GLU 23 HB2 GLU 23 2.216 29.884 -7.011 181 HB3 GLU 23 HB3 GLU 23 1.946 28.837 -8.398 182 HG2 GLU 23 HG2 GLU 23 -0.301 29.896 -6.714 183 HG3 GLU 23 HG3 GLU 23 0.347 30.771 -8.100 184 H MET 24 H MET 24 3.868 28.354 -5.702 185 HA MET 24 HA MET 24 5.291 26.595 -7.388 186 HB2 MET 24 HB2 MET 24 5.922 28.231 -4.990 187 HB3 MET 24 HB3 MET 24 7.033 26.926 -5.382 188 HG2 MET 24 HG2 MET 24 6.195 28.919 -7.450 189 HG3 MET 24 HG3 MET 24 7.500 29.265 -6.318 190 HE1 MET 24 HE1 MET 24 6.942 28.658 -9.640 191 HE2 MET 24 HE2 MET 24 8.477 29.449 -9.283 192 HE3 MET 24 HE3 MET 24 8.455 27.941 -10.198 193 H VAL 25 H VAL 25 4.095 26.278 -4.075 194 HA VAL 25 HA VAL 25 5.300 23.810 -3.478 195 HB VAL 25 HB VAL 25 2.681 24.887 -2.422 196 HG11 VAL 25 HG11 VAL 25 3.004 22.502 -1.978 197 HG12 VAL 25 HG12 VAL 25 4.576 22.849 -1.256 198 HG13 VAL 25 HG13 VAL 25 3.102 23.453 -0.497 199 HG21 VAL 25 HG21 VAL 25 4.024 26.540 -1.684 200 HG22 VAL 25 HG22 VAL 25 4.489 25.349 -0.469 201 HG23 VAL 25 HG23 VAL 25 5.493 25.588 -1.899 202 H HIS 26 H HIS 26 1.888 24.418 -4.340 203 HA HIS 26 HA HIS 26 1.115 21.785 -4.683 204 HB2 HIS 26 HB2 HIS 26 0.147 24.370 -5.853 205 HB3 HIS 26 HB3 HIS 26 -0.549 22.848 -6.400 206 HD1 HIS 26 HD1 HIS 26 -2.782 23.896 -5.315 207 HD2 HIS 26 HD2 HIS 26 0.213 22.780 -2.661 208 HE1 HIS 26 HE1 HIS 26 -3.897 23.751 -3.065 209 H ARG 27 H ARG 27 2.678 23.965 -6.971 210 HA ARG 27 HA ARG 27 2.461 22.269 -9.230 211 HB2 ARG 27 HB2 ARG 27 4.183 24.627 -8.534 212 HB3 ARG 27 HB3 ARG 27 4.490 23.708 -10.002 213 HG2 ARG 27 HG2 ARG 27 2.230 24.165 -10.780 214 HG3 ARG 27 HG3 ARG 27 1.892 25.055 -9.294 215 HD2 ARG 27 HD2 ARG 27 3.323 26.799 -9.868 216 HD3 ARG 27 HD3 ARG 27 4.198 25.819 -11.044 217 HE ARG 27 HE ARG 27 1.573 26.032 -11.933 218 HH11 ARG 27 HH11 ARG 27 4.298 28.116 -11.339 219 HH12 ARG 27 HH12 ARG 27 3.851 29.266 -12.555 220 HH21 ARG 27 HH21 ARG 27 0.974 27.538 -13.538 221 HH22 ARG 27 HH22 ARG 27 1.959 28.936 -13.805 222 H CYS 28 H CYS 28 5.134 22.870 -6.956 223 HA CYS 28 HA CYS 28 7.038 21.190 -8.031 224 HB2 CYS 28 HB2 CYS 28 7.516 22.682 -6.164 225 HB3 CYS 28 HB3 CYS 28 6.468 21.737 -5.111 226 H GLU 29 H GLU 29 4.380 20.380 -5.838 227 HA GLU 29 HA GLU 29 5.099 17.665 -5.484 228 HB2 GLU 29 HB2 GLU 29 2.526 19.182 -5.107 229 HB3 GLU 29 HB3 GLU 29 2.627 17.450 -4.825 230 HG2 GLU 29 HG2 GLU 29 4.374 17.831 -3.152 231 HG3 GLU 29 HG3 GLU 29 4.240 19.568 -3.422 232 H LYS 30 H LYS 30 2.924 19.310 -7.737 233 HA LYS 30 HA LYS 30 1.757 17.098 -8.945 234 HB2 LYS 30 HB2 LYS 30 2.401 19.865 -9.910 235 HB3 LYS 30 HB3 LYS 30 1.725 18.680 -11.021 236 HG2 LYS 30 HG2 LYS 30 -0.258 18.476 -9.730 237 HG3 LYS 30 HG3 LYS 30 0.438 19.411 -8.403 238 HD2 LYS 30 HD2 LYS 30 -0.893 20.984 -9.451 239 HD3 LYS 30 HD3 LYS 30 0.677 21.278 -10.202 240 HE2 LYS 30 HE2 LYS 30 -1.256 19.362 -11.445 241 HE3 LYS 30 HE3 LYS 30 -1.451 21.098 -11.686 242 HZ1 LYS 30 HZ1 LYS 30 1.203 20.610 -12.164 243 HZ2 LYS 30 HZ2 LYS 30 0.008 20.895 -13.327 244 HZ3 LYS 30 HZ3 LYS 30 0.406 19.309 -12.894 245 H LYS 31 H LYS 31 4.606 18.910 -10.103 246 HA LYS 31 HA LYS 31 5.285 17.244 -12.210 247 HB2 LYS 31 HB2 LYS 31 7.622 18.127 -11.875 248 HB3 LYS 31 HB3 LYS 31 6.371 19.355 -12.016 249 HG2 LYS 31 HG2 LYS 31 6.341 19.543 -9.547 250 HG3 LYS 31 HG3 LYS 31 7.690 18.406 -9.481 251 HD2 LYS 31 HD2 LYS 31 7.696 21.086 -10.872 252 HD3 LYS 31 HD3 LYS 31 8.470 20.718 -9.329 253 HE2 LYS 31 HE2 LYS 31 10.272 20.428 -10.674 254 HE3 LYS 31 HE3 LYS 31 9.590 18.809 -10.817 255 HZ1 LYS 31 HZ1 LYS 31 10.024 20.706 -12.840 256 HZ2 LYS 31 HZ2 LYS 31 8.361 20.418 -12.733 257 HZ3 LYS 31 HZ3 LYS 31 9.428 19.130 -12.987 258 H CYS 32 H CYS 32 6.388 17.100 -8.833 259 HA CYS 32 HA CYS 32 8.144 14.965 -9.044 260 HB2 CYS 32 HB2 CYS 32 6.392 15.927 -6.795 261 HB3 CYS 32 HB3 CYS 32 7.438 14.525 -6.599 262 H GLU 33 H GLU 33 4.651 14.990 -8.931 263 HA GLU 33 HA GLU 33 4.347 12.192 -8.444 264 HB2 GLU 33 HB2 GLU 33 2.396 14.188 -9.605 265 HB3 GLU 33 HB3 GLU 33 1.989 12.567 -9.062 266 HG2 GLU 33 HG2 GLU 33 3.318 13.810 -6.922 267 HG3 GLU 33 HG3 GLU 33 2.169 14.987 -7.557 268 H GLU 34 H GLU 34 3.740 14.164 -11.358 269 HA GLU 34 HA GLU 34 3.300 12.071 -13.126 270 HB2 GLU 34 HB2 GLU 34 3.991 13.690 -14.906 271 HB3 GLU 34 HB3 GLU 34 2.784 14.312 -13.789 272 HG2 GLU 34 HG2 GLU 34 4.599 15.464 -12.553 273 HG3 GLU 34 HG3 GLU 34 5.728 14.932 -13.799 274 H LYS 35 H LYS 35 6.342 13.663 -12.251 275 HA LYS 35 HA LYS 35 7.989 12.244 -14.044 276 HB2 LYS 35 HB2 LYS 35 8.321 14.157 -11.932 277 HB3 LYS 35 HB3 LYS 35 9.498 12.866 -11.730 278 HG2 LYS 35 HG2 LYS 35 9.112 14.217 -14.375 279 HG3 LYS 35 HG3 LYS 35 10.159 14.902 -13.130 280 HD2 LYS 35 HD2 LYS 35 11.507 12.895 -13.105 281 HD3 LYS 35 HD3 LYS 35 10.413 12.109 -14.245 282 HE2 LYS 35 HE2 LYS 35 10.965 13.845 -15.914 283 HE3 LYS 35 HE3 LYS 35 12.115 14.543 -14.775 284 HZ1 LYS 35 HZ1 LYS 35 12.297 12.059 -16.312 285 HZ2 LYS 35 HZ2 LYS 35 13.028 12.099 -14.787 286 HZ3 LYS 35 HZ3 LYS 35 13.491 13.210 -15.977 287 H PHE 36 H PHE 36 6.374 11.244 -11.239 288 HA PHE 36 HA PHE 36 8.247 9.103 -10.628 289 HB2 PHE 36 HB2 PHE 36 6.452 10.553 -9.093 290 HB3 PHE 36 HB3 PHE 36 5.665 8.989 -9.273 291 HD1 PHE 36 HD1 PHE 36 6.658 6.980 -8.347 292 HD2 PHE 36 HD2 PHE 36 8.514 10.780 -7.869 293 HE1 PHE 36 HE1 PHE 36 8.094 6.052 -6.578 294 HE2 PHE 36 HE2 PHE 36 9.954 9.858 -6.100 295 HZ PHE 36 HZ PHE 36 9.745 7.491 -5.453 296 H GLU 37 H GLU 37 5.283 9.625 -12.342 297 HA GLU 37 HA GLU 37 4.181 7.079 -12.380 298 HB2 GLU 37 HB2 GLU 37 3.461 9.401 -13.481 299 HB3 GLU 37 HB3 GLU 37 4.155 8.646 -14.909 300 HG2 GLU 37 HG2 GLU 37 2.563 6.663 -13.861 301 HG3 GLU 37 HG3 GLU 37 1.635 8.132 -13.565 302 H ARG 38 H ARG 38 5.086 5.218 -12.924 303 HA ARG 38 HA ARG 38 6.291 3.633 -14.024 304 HB2 ARG 38 HB2 ARG 38 5.032 4.664 -15.983 305 HB3 ARG 38 HB3 ARG 38 6.498 5.574 -16.322 306 HG2 ARG 38 HG2 ARG 38 6.804 3.796 -17.709 307 HG3 ARG 38 HG3 ARG 38 7.596 3.183 -16.255 308 HD2 ARG 38 HD2 ARG 38 6.149 1.481 -17.186 309 HD3 ARG 38 HD3 ARG 38 5.513 2.028 -15.635 310 HE ARG 38 HE ARG 38 4.349 3.482 -17.772 311 HH11 ARG 38 HH11 ARG 38 4.270 0.390 -16.175 312 HH12 ARG 38 HH12 ARG 38 2.625 0.062 -16.608 313 HH21 ARG 38 HH21 ARG 38 2.182 3.063 -18.347 314 HH22 ARG 38 HH22 ARG 38 1.438 1.583 -17.844 315 H GLN 39 H GLN 39 7.709 5.151 -12.256 316 HA GLN 39 HA GLN 39 10.371 5.025 -13.414 317 HB2 GLN 39 HB2 GLN 39 9.022 7.513 -12.952 318 HB3 GLN 39 HB3 GLN 39 10.384 7.382 -11.848 319 HG2 GLN 39 HG2 GLN 39 10.476 7.158 -14.847 320 HG3 GLN 39 HG3 GLN 39 11.059 8.503 -13.869 321 HE21 GLN 39 HE21 GLN 39 12.438 6.709 -15.770 322 HE22 GLN 39 HE22 GLN 39 13.766 6.042 -14.888 323 H GLN 40 H GLN 40 11.888 4.360 -11.982 324 HA GLN 40 HA GLN 40 11.552 4.644 -9.145 325 HB2 GLN 40 HB2 GLN 40 11.291 2.369 -8.544 326 HB3 GLN 40 HB3 GLN 40 10.079 2.680 -9.778 327 HG2 GLN 40 HG2 GLN 40 11.910 1.784 -11.401 328 HG3 GLN 40 HG3 GLN 40 12.572 1.058 -9.937 329 HE21 GLN 40 HE21 GLN 40 11.595 -0.691 -9.059 330 HE22 GLN 40 HE22 GLN 40 10.220 -1.479 -9.747 331 H ARG 41 H ARG 41 13.340 3.360 -7.975 332 HA ARG 41 HA ARG 41 15.682 2.780 -9.561 333 HB2 ARG 41 HB2 ARG 41 15.344 5.404 -8.789 334 HB3 ARG 41 HB3 ARG 41 16.359 4.753 -7.509 335 HG2 ARG 41 HG2 ARG 41 17.915 3.916 -9.269 336 HG3 ARG 41 HG3 ARG 41 16.941 4.780 -10.460 337 HD2 ARG 41 HD2 ARG 41 17.333 6.860 -9.076 338 HD3 ARG 41 HD3 ARG 41 18.528 5.928 -8.176 339 HE ARG 41 HE ARG 41 19.248 5.619 -10.791 340 HH11 ARG 41 HH11 ARG 41 18.705 8.340 -8.688 341 HH12 ARG 41 HH12 ARG 41 19.850 9.359 -9.496 342 HH21 ARG 41 HH21 ARG 41 20.758 6.951 -11.863 343 HH22 ARG 41 HH22 ARG 41 21.016 8.569 -11.302 Start of MODEL 20 1 H1 SER 1 H SER 1 6.532 -5.414 2.053 2 HA SER 1 HA SER 1 7.219 -5.132 -0.753 3 HB2 SER 1 HB2 SER 1 5.611 -3.254 -0.719 4 HB3 SER 1 HB3 SER 1 4.903 -4.735 -0.074 5 HG SER 1 HG SER 1 4.374 -3.287 1.429 6 H GLU 2 H GLU 2 9.048 -4.160 -1.303 7 HA GLU 2 HA GLU 2 10.677 -2.651 0.375 8 HB2 GLU 2 HB2 GLU 2 11.106 -3.751 -1.981 9 HB3 GLU 2 HB3 GLU 2 10.700 -2.146 -2.572 10 HG2 GLU 2 HG2 GLU 2 12.511 -1.161 -1.406 11 HG3 GLU 2 HG3 GLU 2 12.815 -2.641 -0.497 12 H LYS 3 H LYS 3 7.921 -1.724 -1.506 13 HA LYS 3 HA LYS 3 6.789 0.235 -1.742 14 HB2 LYS 3 HB2 LYS 3 8.221 0.591 0.855 15 HB3 LYS 3 HB3 LYS 3 7.395 1.976 0.154 16 HG2 LYS 3 HG2 LYS 3 5.335 0.522 0.024 17 HG3 LYS 3 HG3 LYS 3 6.209 -0.643 1.021 18 HD2 LYS 3 HD2 LYS 3 6.424 0.959 2.800 19 HD3 LYS 3 HD3 LYS 3 5.742 2.236 1.790 20 HE2 LYS 3 HE2 LYS 3 3.599 1.336 1.888 21 HE3 LYS 3 HE3 LYS 3 4.185 -0.259 2.358 22 HZ1 LYS 3 HZ1 LYS 3 3.514 1.997 3.999 23 HZ2 LYS 3 HZ2 LYS 3 5.026 1.341 4.379 24 HZ3 LYS 3 HZ3 LYS 3 3.646 0.362 4.414 25 HA PRO 4 HA PRO 4 10.453 2.142 -3.855 26 HB2 PRO 4 HB2 PRO 4 9.321 2.138 -6.322 27 HB3 PRO 4 HB3 PRO 4 10.209 0.756 -5.671 28 HG2 PRO 4 HG2 PRO 4 7.255 1.220 -5.795 29 HG3 PRO 4 HG3 PRO 4 8.170 -0.258 -6.141 30 HD2 PRO 4 HD2 PRO 4 6.878 0.139 -3.795 31 HD3 PRO 4 HD3 PRO 4 8.379 -0.802 -3.911 32 H GLN 5 H GLN 5 7.157 2.882 -3.372 33 HA GLN 5 HA GLN 5 7.385 5.534 -4.574 34 HB2 GLN 5 HB2 GLN 5 5.000 5.748 -4.130 35 HB3 GLN 5 HB3 GLN 5 5.331 4.244 -4.980 36 HG2 GLN 5 HG2 GLN 5 5.394 3.242 -2.567 37 HG3 GLN 5 HG3 GLN 5 4.459 4.682 -2.168 38 HE21 GLN 5 HE21 GLN 5 2.516 3.781 -1.785 39 HE22 GLN 5 HE22 GLN 5 1.596 2.906 -2.957 40 H GLN 6 H GLN 6 8.821 4.634 -2.097 41 HA GLN 6 HA GLN 6 7.605 6.193 0.018 42 HB2 GLN 6 HB2 GLN 6 8.728 4.131 0.619 43 HB3 GLN 6 HB3 GLN 6 10.222 4.689 -0.123 44 HG2 GLN 6 HG2 GLN 6 10.693 6.143 1.587 45 HG3 GLN 6 HG3 GLN 6 9.004 6.293 2.068 46 HE21 GLN 6 HE21 GLN 6 9.015 5.690 4.135 47 HE22 GLN 6 HE22 GLN 6 9.612 4.182 4.730 48 H GLU 7 H GLU 7 10.157 6.520 -2.338 49 HA GLU 7 HA GLU 7 11.516 8.702 -1.182 50 HB2 GLU 7 HB2 GLU 7 11.956 7.129 -3.343 51 HB3 GLU 7 HB3 GLU 7 11.381 8.590 -4.132 52 HG2 GLU 7 HG2 GLU 7 13.689 8.844 -4.064 53 HG3 GLU 7 HG3 GLU 7 13.107 9.826 -2.722 54 H LEU 8 H LEU 8 8.635 8.479 -3.154 55 HA LEU 8 HA LEU 8 8.388 11.102 -4.026 56 HB2 LEU 8 HB2 LEU 8 6.935 9.250 -4.729 57 HB3 LEU 8 HB3 LEU 8 6.186 9.245 -3.133 58 HG LEU 8 HG LEU 8 5.269 11.469 -3.546 59 HD11 LEU 8 HD11 LEU 8 5.481 12.566 -5.670 60 HD12 LEU 8 HD12 LEU 8 6.429 11.227 -6.317 61 HD13 LEU 8 HD13 LEU 8 7.096 12.242 -5.037 62 HD21 LEU 8 HD21 LEU 8 3.650 10.007 -4.159 63 HD22 LEU 8 HD22 LEU 8 4.689 9.165 -5.310 64 HD23 LEU 8 HD23 LEU 8 3.960 10.711 -5.747 65 H GLU 9 H GLU 9 7.241 9.653 -0.988 66 HA GLU 9 HA GLU 9 5.960 11.835 0.111 67 HB2 GLU 9 HB2 GLU 9 7.660 9.828 1.600 68 HB3 GLU 9 HB3 GLU 9 6.398 10.835 2.295 69 HG2 GLU 9 HG2 GLU 9 4.855 9.679 0.578 70 HG3 GLU 9 HG3 GLU 9 6.143 8.479 0.477 71 H GLU 10 H GLU 10 9.397 11.148 -0.070 72 HA GLU 10 HA GLU 10 10.206 13.239 1.691 73 HB2 GLU 10 HB2 GLU 10 11.892 11.997 -0.477 74 HB3 GLU 10 HB3 GLU 10 12.435 12.738 1.021 75 HG2 GLU 10 HG2 GLU 10 11.381 10.915 2.285 76 HG3 GLU 10 HG3 GLU 10 10.901 10.162 0.765 77 H CYS 11 H CYS 11 9.960 12.931 -1.829 78 HA CYS 11 HA CYS 11 11.054 15.426 -2.497 79 HB2 CYS 11 HB2 CYS 11 10.401 13.381 -3.992 80 HB3 CYS 11 HB3 CYS 11 8.847 14.199 -4.113 81 H GLN 12 H GLN 12 7.665 14.455 -2.022 82 HA GLN 12 HA GLN 12 6.559 17.005 -2.487 83 HB2 GLN 12 HB2 GLN 12 5.435 14.780 -0.777 84 HB3 GLN 12 HB3 GLN 12 4.531 16.121 -1.469 85 HG2 GLN 12 HG2 GLN 12 5.449 15.187 -3.729 86 HG3 GLN 12 HG3 GLN 12 5.653 13.704 -2.797 87 HE21 GLN 12 HE21 GLN 12 3.616 15.304 -4.782 88 HE22 GLN 12 HE22 GLN 12 2.114 14.592 -4.309 89 H ASN 13 H ASN 13 7.501 15.349 0.507 90 HA ASN 13 HA ASN 13 6.617 17.216 2.352 91 HB2 ASN 13 HB2 ASN 13 7.419 15.145 3.180 92 HB3 ASN 13 HB3 ASN 13 8.978 15.342 2.385 93 HD21 ASN 13 HD21 ASN 13 10.491 16.781 3.260 94 HD22 ASN 13 HD22 ASN 13 10.390 17.310 4.901 95 H VAL 14 H VAL 14 9.565 17.191 0.424 96 HA VAL 14 HA VAL 14 10.776 19.422 1.714 97 HB VAL 14 HB VAL 14 11.283 18.291 -1.042 98 HG11 VAL 14 HG11 VAL 14 12.102 20.560 -0.888 99 HG12 VAL 14 HG12 VAL 14 12.912 20.195 0.637 100 HG13 VAL 14 HG13 VAL 14 13.461 19.436 -0.858 101 HG21 VAL 14 HG21 VAL 14 11.749 17.148 1.452 102 HG22 VAL 14 HG22 VAL 14 12.460 16.659 -0.086 103 HG23 VAL 14 HG23 VAL 14 13.311 17.799 0.956 104 H CYS 15 H CYS 15 8.788 19.034 -1.187 105 HA CYS 15 HA CYS 15 8.984 21.627 -2.193 106 HB2 CYS 15 HB2 CYS 15 6.697 19.654 -2.317 107 HB3 CYS 15 HB3 CYS 15 6.752 21.148 -3.246 108 H ARG 16 H ARG 16 6.760 20.275 0.208 109 HA ARG 16 HA ARG 16 5.182 22.593 0.527 110 HB2 ARG 16 HB2 ARG 16 5.724 20.403 2.540 111 HB3 ARG 16 HB3 ARG 16 4.391 21.548 2.588 112 HG2 ARG 16 HG2 ARG 16 3.216 20.466 0.978 113 HG3 ARG 16 HG3 ARG 16 4.666 19.894 0.149 114 HD2 ARG 16 HD2 ARG 16 5.009 18.400 2.207 115 HD3 ARG 16 HD3 ARG 16 3.330 18.776 2.593 116 HE ARG 16 HE ARG 16 3.742 17.806 -0.089 117 HH11 ARG 16 HH11 ARG 16 3.127 16.942 3.227 118 HH12 ARG 16 HH12 ARG 16 2.415 15.413 2.832 119 HH21 ARG 16 HH21 ARG 16 2.806 15.796 -0.621 120 HH22 ARG 16 HH22 ARG 16 2.234 14.761 0.643 121 H MET 17 H MET 17 8.334 21.784 1.605 122 HA MET 17 HA MET 17 8.322 23.760 3.744 123 HB2 MET 17 HB2 MET 17 10.220 21.651 2.814 124 HB3 MET 17 HB3 MET 17 10.859 23.009 3.732 125 HG2 MET 17 HG2 MET 17 8.844 22.376 5.336 126 HG3 MET 17 HG3 MET 17 9.087 20.799 4.589 127 HE1 MET 17 HE1 MET 17 9.755 23.131 7.103 128 HE2 MET 17 HE2 MET 17 11.097 22.499 8.057 129 HE3 MET 17 HE3 MET 17 11.408 23.627 6.736 130 H LYS 18 H LYS 18 8.278 24.146 0.624 131 HA LYS 18 HA LYS 18 10.633 25.771 0.210 132 HB2 LYS 18 HB2 LYS 18 8.197 25.271 -1.508 133 HB3 LYS 18 HB3 LYS 18 9.570 26.251 -2.005 134 HG2 LYS 18 HG2 LYS 18 9.621 23.315 -1.339 135 HG3 LYS 18 HG3 LYS 18 9.729 24.033 -2.948 136 HD2 LYS 18 HD2 LYS 18 11.745 25.324 -1.682 137 HD3 LYS 18 HD3 LYS 18 11.775 23.769 -0.847 138 HE2 LYS 18 HE2 LYS 18 11.945 24.213 -3.826 139 HE3 LYS 18 HE3 LYS 18 13.266 23.731 -2.762 140 HZ1 LYS 18 HZ1 LYS 18 12.665 21.687 -3.433 141 HZ2 LYS 18 HZ2 LYS 18 11.092 22.147 -3.848 142 HZ3 LYS 18 HZ3 LYS 18 11.481 21.831 -2.233 143 H ARG 19 H ARG 19 10.806 27.860 0.670 144 HA ARG 19 HA ARG 19 8.424 29.325 1.504 145 HB2 ARG 19 HB2 ARG 19 10.841 29.198 2.655 146 HB3 ARG 19 HB3 ARG 19 11.112 30.583 1.607 147 HG2 ARG 19 HG2 ARG 19 10.413 31.415 3.711 148 HG3 ARG 19 HG3 ARG 19 9.061 31.622 2.596 149 HD2 ARG 19 HD2 ARG 19 7.892 29.790 3.521 150 HD3 ARG 19 HD3 ARG 19 9.314 29.230 4.399 151 HE ARG 19 HE ARG 19 8.810 31.739 5.379 152 HH11 ARG 19 HH11 ARG 19 7.031 28.758 5.116 153 HH12 ARG 19 HH12 ARG 19 6.084 29.046 6.538 154 HH21 ARG 19 HH21 ARG 19 7.568 32.130 7.252 155 HH22 ARG 19 HH22 ARG 19 6.389 30.965 7.751 156 H TRP 20 H TRP 20 8.521 28.835 -1.226 157 HA TRP 20 HA TRP 20 9.403 31.354 -2.436 158 HB2 TRP 20 HB2 TRP 20 8.736 28.640 -3.513 159 HB3 TRP 20 HB3 TRP 20 8.627 30.041 -4.575 160 HD1 TRP 20 HD1 TRP 20 11.196 28.003 -2.576 161 HE1 TRP 20 HE1 TRP 20 13.539 28.492 -3.524 162 HE3 TRP 20 HE3 TRP 20 9.984 31.741 -5.845 163 HZ2 TRP 20 HZ2 TRP 20 14.716 30.232 -5.408 164 HZ3 TRP 20 HZ3 TRP 20 11.777 32.766 -7.183 165 HH2 TRP 20 HH2 TRP 20 14.094 32.026 -6.967 166 H SER 21 H SER 21 6.580 29.205 -2.834 167 HA SER 21 HA SER 21 4.654 31.133 -2.160 168 HB2 SER 21 HB2 SER 21 3.749 31.621 -4.429 169 HB3 SER 21 HB3 SER 21 5.354 32.306 -4.169 170 HG SER 21 HG SER 21 5.870 31.264 -5.912 171 H THR 22 H THR 22 2.546 30.321 -2.250 172 HA THR 22 HA THR 22 2.205 27.600 -1.954 173 HB THR 22 HB THR 22 0.543 29.226 -1.185 174 HG1 THR 22 HG1 THR 22 -0.529 27.383 -1.271 175 HG21 THR 22 HG21 THR 22 0.749 30.399 -3.601 176 HG22 THR 22 HG22 THR 22 -0.626 30.633 -2.523 177 HG23 THR 22 HG23 THR 22 -0.727 29.466 -3.841 178 H GLU 23 H GLU 23 2.044 29.540 -4.875 179 HA GLU 23 HA GLU 23 0.862 27.613 -6.558 180 HB2 GLU 23 HB2 GLU 23 2.509 30.070 -7.000 181 HB3 GLU 23 HB3 GLU 23 2.207 28.990 -8.353 182 HG2 GLU 23 HG2 GLU 23 -0.176 29.258 -8.089 183 HG3 GLU 23 HG3 GLU 23 0.068 30.247 -6.651 184 H MET 24 H MET 24 4.254 28.375 -5.854 185 HA MET 24 HA MET 24 5.370 26.504 -7.649 186 HB2 MET 24 HB2 MET 24 6.352 28.105 -5.348 187 HB3 MET 24 HB3 MET 24 7.319 26.715 -5.823 188 HG2 MET 24 HG2 MET 24 6.458 28.863 -7.739 189 HG3 MET 24 HG3 MET 24 7.979 28.900 -6.850 190 HE1 MET 24 HE1 MET 24 10.321 26.772 -8.418 191 HE2 MET 24 HE2 MET 24 10.004 28.365 -9.105 192 HE3 MET 24 HE3 MET 24 9.858 28.110 -7.365 193 H VAL 25 H VAL 25 4.262 26.264 -4.330 194 HA VAL 25 HA VAL 25 5.415 23.776 -3.693 195 HB VAL 25 HB VAL 25 2.800 24.845 -2.631 196 HG11 VAL 25 HG11 VAL 25 4.848 22.990 -1.421 197 HG12 VAL 25 HG12 VAL 25 3.374 23.557 -0.635 198 HG13 VAL 25 HG13 VAL 25 3.273 22.518 -2.057 199 HG21 VAL 25 HG21 VAL 25 5.439 25.943 -2.422 200 HG22 VAL 25 HG22 VAL 25 3.923 26.552 -1.757 201 HG23 VAL 25 HG23 VAL 25 4.890 25.401 -0.836 202 H HIS 26 H HIS 26 2.113 24.555 -4.793 203 HA HIS 26 HA HIS 26 1.168 21.942 -4.986 204 HB2 HIS 26 HB2 HIS 26 0.421 24.520 -6.316 205 HB3 HIS 26 HB3 HIS 26 -0.332 23.020 -6.849 206 HD1 HIS 26 HD1 HIS 26 -1.911 25.331 -5.463 207 HD2 HIS 26 HD2 HIS 26 -0.435 21.954 -3.545 208 HE1 HIS 26 HE1 HIS 26 -3.322 25.060 -3.398 209 H ARG 27 H ARG 27 2.727 23.962 -7.459 210 HA ARG 27 HA ARG 27 2.597 22.068 -9.539 211 HB2 ARG 27 HB2 ARG 27 4.553 24.330 -9.093 212 HB3 ARG 27 HB3 ARG 27 4.388 23.431 -10.595 213 HG2 ARG 27 HG2 ARG 27 2.319 24.355 -11.074 214 HG3 ARG 27 HG3 ARG 27 2.026 24.814 -9.395 215 HD2 ARG 27 HD2 ARG 27 2.512 26.832 -10.475 216 HD3 ARG 27 HD3 ARG 27 4.017 26.393 -9.667 217 HE ARG 27 HE ARG 27 5.009 26.257 -11.714 218 HH11 ARG 27 HH11 ARG 27 1.562 25.995 -12.131 219 HH12 ARG 27 HH12 ARG 27 1.639 26.003 -13.861 220 HH21 ARG 27 HH21 ARG 27 5.123 26.270 -13.992 221 HH22 ARG 27 HH22 ARG 27 3.665 26.159 -14.919 222 H CYS 28 H CYS 28 5.088 22.754 -7.119 223 HA CYS 28 HA CYS 28 7.072 21.035 -8.074 224 HB2 CYS 28 HB2 CYS 28 7.386 22.734 -6.279 225 HB3 CYS 28 HB3 CYS 28 6.481 21.696 -5.182 226 H GLU 29 H GLU 29 4.515 20.422 -5.675 227 HA GLU 29 HA GLU 29 5.158 17.774 -5.099 228 HB2 GLU 29 HB2 GLU 29 2.472 19.156 -5.117 229 HB3 GLU 29 HB3 GLU 29 2.745 17.553 -4.450 230 HG2 GLU 29 HG2 GLU 29 4.618 18.845 -3.096 231 HG3 GLU 29 HG3 GLU 29 3.544 20.207 -3.407 232 H LYS 30 H LYS 30 2.683 18.955 -7.382 233 HA LYS 30 HA LYS 30 1.976 16.497 -8.464 234 HB2 LYS 30 HB2 LYS 30 1.976 19.268 -9.654 235 HB3 LYS 30 HB3 LYS 30 1.332 17.874 -10.512 236 HG2 LYS 30 HG2 LYS 30 -0.083 17.538 -8.356 237 HG3 LYS 30 HG3 LYS 30 0.296 19.238 -8.071 238 HD2 LYS 30 HD2 LYS 30 -1.748 19.257 -9.231 239 HD3 LYS 30 HD3 LYS 30 -0.531 19.650 -10.448 240 HE2 LYS 30 HE2 LYS 30 -0.514 17.095 -10.890 241 HE3 LYS 30 HE3 LYS 30 -2.066 17.110 -10.053 242 HZ1 LYS 30 HZ1 LYS 30 -2.916 18.659 -11.661 243 HZ2 LYS 30 HZ2 LYS 30 -2.284 17.318 -12.475 244 HZ3 LYS 30 HZ3 LYS 30 -1.412 18.768 -12.429 245 H LYS 31 H LYS 31 4.793 18.438 -9.002 246 HA LYS 31 HA LYS 31 5.563 17.207 -11.471 247 HB2 LYS 31 HB2 LYS 31 6.629 19.209 -11.358 248 HB3 LYS 31 HB3 LYS 31 6.704 19.188 -9.601 249 HG2 LYS 31 HG2 LYS 31 8.929 19.114 -10.511 250 HG3 LYS 31 HG3 LYS 31 8.562 17.578 -9.723 251 HD2 LYS 31 HD2 LYS 31 9.488 16.818 -11.676 252 HD3 LYS 31 HD3 LYS 31 7.790 16.904 -12.153 253 HE2 LYS 31 HE2 LYS 31 8.123 18.952 -13.296 254 HE3 LYS 31 HE3 LYS 31 9.721 19.171 -12.584 255 HZ1 LYS 31 HZ1 LYS 31 10.581 17.401 -13.878 256 HZ2 LYS 31 HZ2 LYS 31 9.713 18.393 -14.937 257 HZ3 LYS 31 HZ3 LYS 31 9.044 16.933 -14.408 258 H CYS 32 H CYS 32 6.586 16.866 -8.085 259 HA CYS 32 HA CYS 32 8.550 14.909 -8.508 260 HB2 CYS 32 HB2 CYS 32 6.858 15.627 -6.121 261 HB3 CYS 32 HB3 CYS 32 8.036 14.320 -6.057 262 H GLU 33 H GLU 33 5.071 14.678 -8.109 263 HA GLU 33 HA GLU 33 5.036 11.826 -7.841 264 HB2 GLU 33 HB2 GLU 33 3.101 12.593 -6.940 265 HB3 GLU 33 HB3 GLU 33 3.047 14.000 -7.993 266 HG2 GLU 33 HG2 GLU 33 1.165 12.519 -8.396 267 HG3 GLU 33 HG3 GLU 33 2.207 12.627 -9.814 268 H GLU 34 H GLU 34 4.359 14.102 -10.479 269 HA GLU 34 HA GLU 34 3.617 12.200 -12.403 270 HB2 GLU 34 HB2 GLU 34 4.756 14.978 -12.608 271 HB3 GLU 34 HB3 GLU 34 4.393 14.025 -14.041 272 HG2 GLU 34 HG2 GLU 34 2.224 14.190 -12.070 273 HG3 GLU 34 HG3 GLU 34 2.660 15.712 -12.843 274 H LYS 35 H LYS 35 6.769 13.717 -11.759 275 HA LYS 35 HA LYS 35 8.182 12.320 -13.764 276 HB2 LYS 35 HB2 LYS 35 8.757 14.292 -11.843 277 HB3 LYS 35 HB3 LYS 35 9.858 12.963 -11.505 278 HG2 LYS 35 HG2 LYS 35 9.540 13.970 -14.299 279 HG3 LYS 35 HG3 LYS 35 10.566 14.831 -13.150 280 HD2 LYS 35 HD2 LYS 35 10.852 11.878 -13.615 281 HD3 LYS 35 HD3 LYS 35 11.666 13.060 -14.642 282 HE2 LYS 35 HE2 LYS 35 12.795 13.996 -12.704 283 HE3 LYS 35 HE3 LYS 35 11.938 12.878 -11.643 284 HZ1 LYS 35 HZ1 LYS 35 13.928 12.173 -13.730 285 HZ2 LYS 35 HZ2 LYS 35 13.021 11.041 -12.860 286 HZ3 LYS 35 HZ3 LYS 35 14.123 12.040 -12.054 287 H PHE 36 H PHE 36 6.927 11.307 -10.778 288 HA PHE 36 HA PHE 36 8.853 9.273 -10.195 289 HB2 PHE 36 HB2 PHE 36 6.803 10.456 -8.792 290 HB3 PHE 36 HB3 PHE 36 6.152 8.856 -9.134 291 HD1 PHE 36 HD2 PHE 36 7.216 6.861 -8.235 292 HD2 PHE 36 HD1 PHE 36 8.678 10.753 -7.324 293 HE1 PHE 36 HE2 PHE 36 8.527 5.929 -6.372 294 HE2 PHE 36 HE1 PHE 36 9.991 9.828 -5.461 295 HZ PHE 36 HZ PHE 36 9.916 7.413 -4.982 296 H GLU 37 H GLU 37 5.449 9.064 -11.254 297 HA GLU 37 HA GLU 37 5.490 6.340 -11.874 298 HB2 GLU 37 HB2 GLU 37 3.482 6.833 -13.263 299 HB3 GLU 37 HB3 GLU 37 3.396 7.500 -11.639 300 HG2 GLU 37 HG2 GLU 37 2.582 9.198 -12.999 301 HG3 GLU 37 HG3 GLU 37 4.248 9.671 -12.671 302 H ARG 38 H ARG 38 6.763 9.046 -13.575 303 HA ARG 38 HA ARG 38 6.773 7.932 -16.188 304 HB2 ARG 38 HB2 ARG 38 7.109 10.394 -15.434 305 HB3 ARG 38 HB3 ARG 38 8.794 9.935 -15.230 306 HG2 ARG 38 HG2 ARG 38 8.735 9.140 -17.628 307 HG3 ARG 38 HG3 ARG 38 7.173 9.952 -17.756 308 HD2 ARG 38 HD2 ARG 38 8.235 12.063 -17.079 309 HD3 ARG 38 HD3 ARG 38 9.793 11.241 -16.998 310 HE ARG 38 HE ARG 38 8.712 10.841 -19.548 311 HH11 ARG 38 HH11 ARG 38 9.984 13.412 -17.575 312 HH12 ARG 38 HH12 ARG 38 10.549 14.343 -18.923 313 HH21 ARG 38 HH21 ARG 38 9.451 12.057 -21.330 314 HH22 ARG 38 HH22 ARG 38 10.245 13.572 -21.058 315 H GLN 39 H GLN 39 9.002 7.824 -13.474 316 HA GLN 39 HA GLN 39 10.383 5.590 -14.698 317 HB2 GLN 39 HB2 GLN 39 11.459 8.170 -14.942 318 HB3 GLN 39 HB3 GLN 39 12.385 7.397 -13.662 319 HG2 GLN 39 HG2 GLN 39 13.068 5.641 -15.090 320 HG3 GLN 39 HG3 GLN 39 11.914 6.114 -16.335 321 HE21 GLN 39 HE21 GLN 39 14.191 5.855 -17.392 322 HE22 GLN 39 HE22 GLN 39 15.060 7.334 -17.595 323 H GLN 40 H GLN 40 10.899 4.116 -13.207 324 HA GLN 40 HA GLN 40 11.585 4.868 -10.506 325 HB2 GLN 40 HB2 GLN 40 9.801 3.793 -9.381 326 HB3 GLN 40 HB3 GLN 40 9.051 4.814 -10.601 327 HG2 GLN 40 HG2 GLN 40 9.528 1.854 -10.870 328 HG3 GLN 40 HG3 GLN 40 7.996 2.607 -10.428 329 HE21 GLN 40 HE21 GLN 40 9.529 1.196 -12.883 330 HE22 GLN 40 HE22 GLN 40 8.797 2.001 -14.225 331 H ARG 41 H ARG 41 12.627 3.230 -9.366 332 HA ARG 41 HA ARG 41 12.802 0.568 -10.480 333 HB2 ARG 41 HB2 ARG 41 14.900 2.588 -10.886 334 HB3 ARG 41 HB3 ARG 41 15.479 1.062 -10.232 335 HG2 ARG 41 HG2 ARG 41 14.260 -0.074 -12.126 336 HG3 ARG 41 HG3 ARG 41 14.030 1.533 -12.820 337 HD2 ARG 41 HD2 ARG 41 16.371 1.865 -13.041 338 HD3 ARG 41 HD3 ARG 41 16.730 0.444 -12.060 339 HE ARG 41 HE ARG 41 16.507 -0.844 -13.931 340 HH11 ARG 41 HH11 ARG 41 14.965 2.226 -14.493 341 HH12 ARG 41 HH12 ARG 41 14.644 1.906 -16.166 342 HH21 ARG 41 HH21 ARG 41 16.090 -1.277 -16.131 343 HH22 ARG 41 HH22 ARG 41 15.283 -0.088 -17.096
Contact the webmaster for help, if required. Sunday, June 16, 2024 1:27:31 AM GMT (wattos1)