NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
571715 | 2mjk | 19729 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 H1 LEU 1 3.198 0.926 9.817 2 H2 LEU 1 H2 LEU 1 2.620 2.452 9.393 3 H3 LEU 1 H3 LEU 1 4.281 2.149 9.396 4 HA LEU 1 HA LEU 1 4.270 1.115 7.419 5 HB2 LEU 1 HB2 LEU 1 2.846 -0.671 8.425 6 HB3 LEU 1 HB3 LEU 1 1.427 0.271 8.017 7 HG LEU 1 HG LEU 1 2.002 0.046 5.620 8 HD11 LEU 1 HD11 LEU 1 4.342 -1.385 6.760 9 HD12 LEU 1 HD12 LEU 1 4.243 -0.290 5.382 10 HD13 LEU 1 HD13 LEU 1 3.664 -1.947 5.233 11 HD21 LEU 1 HD21 LEU 1 1.858 -2.640 6.964 12 HD22 LEU 1 HD22 LEU 1 1.218 -2.181 5.386 13 HD23 LEU 1 HD23 LEU 1 0.488 -1.535 6.855 14 H VAL 2 H VAL 2 3.813 3.782 7.813 15 HA VAL 2 HA VAL 2 1.595 4.586 6.110 16 HB VAL 2 HB VAL 2 3.564 6.296 7.632 17 HG11 VAL 2 HG11 VAL 2 2.647 7.512 5.769 18 HG12 VAL 2 HG12 VAL 2 1.886 8.084 7.253 19 HG13 VAL 2 HG13 VAL 2 1.013 6.990 6.181 20 HG21 VAL 2 HG21 VAL 2 0.748 5.454 8.307 21 HG22 VAL 2 HG22 VAL 2 1.677 6.668 9.184 22 HG23 VAL 2 HG23 VAL 2 2.221 4.991 9.159 23 H LEU 3 H LEU 3 1.793 5.409 4.133 24 HA LEU 3 HA LEU 3 4.473 5.672 2.955 25 HB2 LEU 3 HB2 LEU 3 1.862 4.709 1.815 26 HB3 LEU 3 HB3 LEU 3 3.143 5.292 0.785 27 HG LEU 3 HG LEU 3 4.618 3.506 1.622 28 HD11 LEU 3 HD11 LEU 3 2.162 2.624 3.131 29 HD12 LEU 3 HD12 LEU 3 3.699 3.141 3.821 30 HD13 LEU 3 HD13 LEU 3 3.611 1.646 2.893 31 HD21 LEU 3 HD21 LEU 3 2.007 2.953 0.305 32 HD22 LEU 3 HD22 LEU 3 3.086 1.604 0.677 33 HD23 LEU 3 HD23 LEU 3 3.642 2.914 -0.365 34 H LYS 4 H LYS 4 4.893 7.539 1.801 35 HA LYS 4 HA LYS 4 3.403 9.858 2.351 36 HB2 LYS 4 HB2 LYS 4 5.409 9.269 0.165 37 HB3 LYS 4 HB3 LYS 4 4.730 10.862 0.445 38 HG2 LYS 4 HG2 LYS 4 6.926 10.684 1.433 39 HG3 LYS 4 HG3 LYS 4 5.704 10.882 2.688 40 HD2 LYS 4 HD2 LYS 4 5.811 8.566 3.260 41 HD3 LYS 4 HD3 LYS 4 6.819 8.208 1.856 42 HE2 LYS 4 HE2 LYS 4 8.636 9.492 2.781 43 HE3 LYS 4 HE3 LYS 4 7.629 10.017 4.126 44 HZ1 LYS 4 HZ1 LYS 4 8.517 7.243 3.574 45 HZ2 LYS 4 HZ2 LYS 4 7.469 7.686 4.823 46 HZ3 LYS 4 HZ3 LYS 4 9.066 8.241 4.821 47 H TYR 5 H TYR 5 3.384 7.566 -0.250 48 HA TYR 5 HA TYR 5 0.749 8.314 -1.114 49 HB2 TYR 5 HB2 TYR 5 1.566 8.680 -3.510 50 HB3 TYR 5 HB3 TYR 5 1.888 9.988 -2.374 51 HD1 TYR 5 HD1 TYR 5 3.423 7.118 -4.137 52 HD2 TYR 5 HD2 TYR 5 4.106 10.636 -1.846 53 HE1 TYR 5 HE1 TYR 5 5.828 6.959 -4.614 54 HE2 TYR 5 HE2 TYR 5 6.512 10.488 -2.319 55 HH TYR 5 HH TYR 5 7.815 7.938 -4.423 56 H CYS 6 H CYS 6 -0.108 6.755 -2.634 57 HA CYS 6 HA CYS 6 0.862 4.122 -2.161 58 HB2 CYS 6 HB2 CYS 6 -1.550 4.750 -2.443 59 HB3 CYS 6 HB3 CYS 6 -1.234 5.021 -4.151 60 HA PRO 7 HA PRO 7 3.885 4.112 -5.463 61 HB2 PRO 7 HB2 PRO 7 3.691 1.176 -5.140 62 HB3 PRO 7 HB3 PRO 7 5.106 2.225 -5.051 63 HG2 PRO 7 HG2 PRO 7 4.044 1.143 -2.857 64 HG3 PRO 7 HG3 PRO 7 4.714 2.784 -2.843 65 HD2 PRO 7 HD2 PRO 7 1.862 1.899 -2.932 66 HD3 PRO 7 HD3 PRO 7 2.593 3.260 -2.059 67 H LYS 8 H LYS 8 3.665 4.052 -7.613 68 HA LYS 8 HA LYS 8 1.293 3.629 -8.907 69 HB2 LYS 8 HB2 LYS 8 2.572 3.542 -11.001 70 HB3 LYS 8 HB3 LYS 8 3.092 4.843 -9.942 71 HG2 LYS 8 HG2 LYS 8 5.043 3.605 -9.290 72 HG3 LYS 8 HG3 LYS 8 4.495 2.193 -10.198 73 HD2 LYS 8 HD2 LYS 8 4.660 3.425 -12.272 74 HD3 LYS 8 HD3 LYS 8 5.110 4.887 -11.398 75 HE2 LYS 8 HE2 LYS 8 6.701 2.323 -11.458 76 HE3 LYS 8 HE3 LYS 8 7.055 3.764 -12.408 77 HZ1 LYS 8 HZ1 LYS 8 6.834 4.554 -9.748 78 HZ2 LYS 8 HZ2 LYS 8 8.224 4.519 -10.709 79 HZ3 LYS 8 HZ3 LYS 8 7.815 3.179 -9.768 80 H ILE 9 H ILE 9 3.748 1.247 -8.147 81 HA ILE 9 HA ILE 9 2.932 -0.783 -9.887 82 HB ILE 9 HB ILE 9 5.028 -0.953 -8.672 83 HG12 ILE 9 HG12 ILE 9 4.898 -3.303 -7.983 84 HG13 ILE 9 HG13 ILE 9 3.144 -3.193 -7.891 85 HG21 ILE 9 HG21 ILE 9 3.579 -0.166 -6.470 86 HG22 ILE 9 HG22 ILE 9 5.253 -0.715 -6.467 87 HG23 ILE 9 HG23 ILE 9 3.951 -1.854 -6.127 88 HD11 ILE 9 HD11 ILE 9 2.895 -3.184 -10.174 89 HD12 ILE 9 HD12 ILE 9 4.284 -4.249 -9.967 90 HD13 ILE 9 HD13 ILE 9 4.525 -2.573 -10.458 91 H GLY 10 H GLY 10 1.706 0.170 -6.730 92 HA2 GLY 10 HA2 GLY 10 -0.193 -2.060 -6.764 93 HA3 GLY 10 HA3 GLY 10 0.119 -0.986 -5.416 94 H TYR 11 H TYR 11 -2.127 -0.783 -5.180 95 HA TYR 11 HA TYR 11 -3.187 1.475 -6.595 96 HB2 TYR 11 HB2 TYR 11 -5.376 0.305 -7.101 97 HB3 TYR 11 HB3 TYR 11 -4.027 -0.118 -8.141 98 HD1 TYR 11 HD1 TYR 11 -5.488 -1.354 -4.904 99 HD2 TYR 11 HD2 TYR 11 -3.905 -2.319 -8.730 100 HE1 TYR 11 HE1 TYR 11 -5.909 -3.729 -4.474 101 HE2 TYR 11 HE2 TYR 11 -4.331 -4.701 -8.310 102 HH TYR 11 HH TYR 11 -6.330 -5.872 -6.269 103 H CYS 12 H CYS 12 -4.808 2.522 -5.376 104 HA CYS 12 HA CYS 12 -4.791 1.688 -2.587 105 HB2 CYS 12 HB2 CYS 12 -4.165 3.990 -3.180 106 HB3 CYS 12 HB3 CYS 12 -5.760 4.242 -3.872 107 H SER 13 H SER 13 -6.504 1.012 -1.463 108 HA SER 13 HA SER 13 -9.209 1.343 -2.452 109 HB2 SER 13 HB2 SER 13 -8.066 -1.427 -2.000 110 HB3 SER 13 HB3 SER 13 -9.707 -1.033 -2.509 111 HG SER 13 HG SER 13 -7.875 0.116 -4.139 112 H ASN 14 H ASN 14 -10.810 0.595 -0.854 113 HA ASN 14 HA ASN 14 -10.278 1.517 1.704 114 HB2 ASN 14 HB2 ASN 14 -12.437 0.630 2.351 115 HB3 ASN 14 HB3 ASN 14 -12.545 1.329 0.741 116 HD21 ASN 14 HD21 ASN 14 -13.513 0.156 -0.744 117 HD22 ASN 14 HD22 ASN 14 -13.767 -1.553 -0.682 118 H THR 15 H THR 15 -9.925 -1.698 0.392 119 HA THR 15 HA THR 15 -8.429 -2.452 2.757 120 HB THR 15 HB THR 15 -9.636 -4.606 3.019 121 HG1 THR 15 HG1 THR 15 -11.471 -3.363 1.219 122 HG21 THR 15 HG21 THR 15 -10.112 -2.601 4.447 123 HG22 THR 15 HG22 THR 15 -11.442 -3.752 4.330 124 HG23 THR 15 HG23 THR 15 -11.487 -2.257 3.399 125 H CYS 16 H CYS 16 -6.903 -4.036 2.352 126 HA CYS 16 HA CYS 16 -6.601 -4.771 -0.480 127 HB2 CYS 16 HB2 CYS 16 -4.479 -4.455 1.650 128 HB3 CYS 16 HB3 CYS 16 -4.194 -4.836 -0.046 129 H SER 17 H SER 17 -6.071 -6.844 -1.057 130 HA SER 17 HA SER 17 -7.045 -8.939 0.503 131 HB2 SER 17 HB2 SER 17 -6.652 -8.868 -2.034 132 HB3 SER 17 HB3 SER 17 -4.977 -9.280 -1.669 133 HG SER 17 HG SER 17 -7.203 -10.795 -0.762 134 H LYS 18 H LYS 18 -6.021 -10.527 1.731 135 HA LYS 18 HA LYS 18 -4.117 -9.837 3.520 136 HB2 LYS 18 HB2 LYS 18 -4.683 -12.576 2.386 137 HB3 LYS 18 HB3 LYS 18 -3.686 -12.302 3.809 138 HG2 LYS 18 HG2 LYS 18 -6.537 -11.369 3.592 139 HG3 LYS 18 HG3 LYS 18 -6.074 -12.937 4.254 140 HD2 LYS 18 HD2 LYS 18 -4.877 -11.930 6.037 141 HD3 LYS 18 HD3 LYS 18 -4.970 -10.336 5.293 142 HE2 LYS 18 HE2 LYS 18 -7.378 -11.893 6.214 143 HE3 LYS 18 HE3 LYS 18 -6.536 -10.715 7.216 144 HZ1 LYS 18 HZ1 LYS 18 -8.120 -10.264 4.780 145 HZ2 LYS 18 HZ2 LYS 18 -6.927 -9.158 5.230 146 HZ3 LYS 18 HZ3 LYS 18 -8.215 -9.479 6.270 147 H THR 19 H THR 19 -3.468 -11.445 0.412 148 HA THR 19 HA THR 19 -0.713 -11.769 0.747 149 HB THR 19 HB THR 19 -2.105 -12.730 -1.134 150 HG1 THR 19 HG1 THR 19 0.406 -12.234 -1.030 151 HG21 THR 19 HG21 THR 19 -3.213 -10.645 -1.821 152 HG22 THR 19 HG22 THR 19 -2.356 -11.400 -3.163 153 HG23 THR 19 HG23 THR 19 -1.659 -10.001 -2.351 154 H GLN 20 H GLN 20 -2.622 -9.029 -0.273 155 HA GLN 20 HA GLN 20 -0.381 -7.405 -1.004 156 HB2 GLN 20 HB2 GLN 20 -3.246 -6.628 -0.445 157 HB3 GLN 20 HB3 GLN 20 -2.035 -5.599 -1.191 158 HG2 GLN 20 HG2 GLN 20 -1.925 -7.055 -3.110 159 HG3 GLN 20 HG3 GLN 20 -3.046 -8.185 -2.349 160 HE21 GLN 20 HE21 GLN 20 -2.806 -5.733 -4.523 161 HE22 GLN 20 HE22 GLN 20 -4.455 -5.217 -4.547 162 H ILE 21 H ILE 21 0.626 -5.852 0.170 163 HA ILE 21 HA ILE 21 0.375 -5.976 3.035 164 HB ILE 21 HB ILE 21 2.048 -4.156 1.284 165 HG12 ILE 21 HG12 ILE 21 2.802 -6.627 2.866 166 HG13 ILE 21 HG13 ILE 21 2.635 -6.548 1.117 167 HG21 ILE 21 HG21 ILE 21 3.309 -3.652 3.342 168 HG22 ILE 21 HG22 ILE 21 2.134 -4.580 4.272 169 HG23 ILE 21 HG23 ILE 21 1.635 -3.111 3.435 170 HD11 ILE 21 HD11 ILE 21 4.903 -5.973 2.738 171 HD12 ILE 21 HD12 ILE 21 4.446 -4.523 1.846 172 HD13 ILE 21 HD13 ILE 21 4.773 -6.023 0.980 173 H TRP 22 H TRP 22 -0.882 -4.689 4.259 174 HA TRP 22 HA TRP 22 -2.615 -2.782 3.010 175 HB2 TRP 22 HB2 TRP 22 -2.236 -3.680 5.860 176 HB3 TRP 22 HB3 TRP 22 -3.329 -2.363 5.442 177 HD1 TRP 22 HD1 TRP 22 -2.822 -5.900 3.895 178 HE1 TRP 22 HE1 TRP 22 -5.145 -6.990 3.664 179 HE3 TRP 22 HE3 TRP 22 -5.664 -2.155 5.886 180 HZ2 TRP 22 HZ2 TRP 22 -7.831 -6.337 4.257 181 HZ3 TRP 22 HZ3 TRP 22 -8.099 -2.456 6.010 182 HH2 TRP 22 HH2 TRP 22 -9.160 -4.508 5.216 183 H ALA 23 H ALA 23 -0.367 -1.774 2.324 184 HA ALA 23 HA ALA 23 0.919 -0.066 4.164 185 HB1 ALA 23 HB1 ALA 23 1.321 1.047 1.660 186 HB2 ALA 23 HB2 ALA 23 1.092 -0.671 1.338 187 HB3 ALA 23 HB3 ALA 23 2.349 -0.143 2.456 188 H THR 24 H THR 24 -0.143 1.532 5.194 189 HA THR 24 HA THR 24 -2.410 2.828 4.012 190 HB THR 24 HB THR 24 -2.091 4.416 6.024 191 HG1 THR 24 HG1 THR 24 0.219 3.369 6.172 192 HG21 THR 24 HG21 THR 24 -2.947 2.710 7.617 193 HG22 THR 24 HG22 THR 24 -2.548 1.460 6.439 194 HG23 THR 24 HG23 THR 24 -3.765 2.677 6.056 195 H SER 25 H SER 25 -2.060 4.102 2.292 196 HA SER 25 HA SER 25 0.362 5.714 2.168 197 HB2 SER 25 HB2 SER 25 -0.391 6.186 -0.163 198 HB3 SER 25 HB3 SER 25 -0.166 4.471 0.172 199 HG SER 25 HG SER 25 -2.706 5.509 0.628 200 H HIS 26 H HIS 26 0.252 7.619 3.159 201 HA HIS 26 HA HIS 26 -1.993 9.002 3.960 202 HB2 HIS 26 HB2 HIS 26 0.328 9.482 4.711 203 HB3 HIS 26 HB3 HIS 26 0.666 10.204 3.144 204 HD1 HIS 26 HD1 HIS 26 1.225 12.246 4.954 205 HD2 HIS 26 HD2 HIS 26 -2.759 11.347 4.200 206 HE1 HIS 26 HE1 HIS 26 -0.073 14.268 5.681 207 HE2 HIS 26 HE2 HIS 26 -2.484 13.609 5.416 208 H GLY 27 H GLY 27 -0.206 9.190 0.930 209 HA2 GLY 27 HA2 GLY 27 -1.660 11.362 -0.171 210 HA3 GLY 27 HA3 GLY 27 -0.662 10.226 -1.064 211 H CYS 28 H CYS 28 -3.295 9.035 0.880 212 HA CYS 28 HA CYS 28 -5.155 9.058 -1.304 213 HB2 CYS 28 HB2 CYS 28 -3.788 7.090 -1.893 214 HB3 CYS 28 HB3 CYS 28 -4.145 6.388 -0.314 215 H LYS 29 H LYS 29 -7.218 8.431 -0.756 216 HA LYS 29 HA LYS 29 -8.031 9.090 1.854 217 HB2 LYS 29 HB2 LYS 29 -10.279 8.396 1.039 218 HB3 LYS 29 HB3 LYS 29 -9.454 9.499 -0.055 219 HG2 LYS 29 HG2 LYS 29 -8.721 7.464 -1.359 220 HG3 LYS 29 HG3 LYS 29 -9.840 6.537 -0.368 221 HD2 LYS 29 HD2 LYS 29 -10.934 7.104 -2.423 222 HD3 LYS 29 HD3 LYS 29 -11.668 8.043 -1.122 223 HE2 LYS 29 HE2 LYS 29 -10.544 10.018 -1.784 224 HE3 LYS 29 HE3 LYS 29 -9.463 9.130 -2.855 225 HZ1 LYS 29 HZ1 LYS 29 -11.191 10.303 -4.072 226 HZ2 LYS 29 HZ2 LYS 29 -12.385 9.438 -3.250 227 HZ3 LYS 29 HZ3 LYS 29 -11.324 8.635 -4.288 228 H MET 30 H MET 30 -7.903 5.973 0.145 229 HA MET 30 HA MET 30 -8.479 4.584 2.665 230 HB2 MET 30 HB2 MET 30 -8.542 3.619 -0.197 231 HB3 MET 30 HB3 MET 30 -8.863 2.606 1.196 232 HG2 MET 30 HG2 MET 30 -10.463 5.079 0.691 233 HG3 MET 30 HG3 MET 30 -10.845 3.562 -0.112 234 HE1 MET 30 HE1 MET 30 -9.873 4.004 4.021 235 HE2 MET 30 HE2 MET 30 -11.436 4.799 4.196 236 HE3 MET 30 HE3 MET 30 -10.253 5.427 3.051 237 H TYR 31 H TYR 31 -7.335 2.072 1.848 238 HA TYR 31 HA TYR 31 -4.585 2.586 2.599 239 HB2 TYR 31 HB2 TYR 31 -6.012 -0.039 2.099 240 HB3 TYR 31 HB3 TYR 31 -4.397 0.136 2.767 241 HD1 TYR 31 HD1 TYR 31 -7.932 1.128 3.439 242 HD2 TYR 31 HD2 TYR 31 -4.130 0.126 5.060 243 HE1 TYR 31 HE1 TYR 31 -8.901 1.126 5.695 244 HE2 TYR 31 HE2 TYR 31 -5.089 0.120 7.321 245 HH TYR 31 HH TYR 31 -8.257 -0.080 7.975 246 H CYS 32 H CYS 32 -2.811 1.494 1.483 247 HA CYS 32 HA CYS 32 -3.204 1.521 -1.424 248 HB2 CYS 32 HB2 CYS 32 -1.473 3.059 -0.606 249 HB3 CYS 32 HB3 CYS 32 -0.651 1.729 0.192 250 H CYS 33 H CYS 33 -3.113 -0.337 -2.481 251 HA CYS 33 HA CYS 33 -2.344 -2.744 -1.004 252 HB2 CYS 33 HB2 CYS 33 -3.882 -2.532 -3.598 253 HB3 CYS 33 HB3 CYS 33 -3.695 -3.961 -2.591 254 H LEU 34 H LEU 34 -0.617 -3.870 -1.560 255 HA LEU 34 HA LEU 34 0.576 -3.518 -4.206 256 HB2 LEU 34 HB2 LEU 34 2.053 -3.236 -1.587 257 HB3 LEU 34 HB3 LEU 34 2.810 -3.288 -3.163 258 HG LEU 34 HG LEU 34 0.753 -1.188 -2.647 259 HD11 LEU 34 HD11 LEU 34 2.524 -1.361 -0.732 260 HD12 LEU 34 HD12 LEU 34 2.135 0.203 -1.447 261 HD13 LEU 34 HD13 LEU 34 3.596 -0.650 -1.936 262 HD21 LEU 34 HD21 LEU 34 1.811 -0.069 -4.357 263 HD22 LEU 34 HD22 LEU 34 2.036 -1.750 -4.840 264 HD23 LEU 34 HD23 LEU 34 3.354 -0.872 -4.067 265 HA PRO 35 HA PRO 35 0.889 -7.920 -4.066 266 HB2 PRO 35 HB2 PRO 35 3.518 -7.596 -5.400 267 HB3 PRO 35 HB3 PRO 35 2.095 -8.497 -5.927 268 HG2 PRO 35 HG2 PRO 35 2.817 -6.169 -7.064 269 HG3 PRO 35 HG3 PRO 35 1.121 -6.654 -6.897 270 HD2 PRO 35 HD2 PRO 35 2.681 -4.643 -5.360 271 HD3 PRO 35 HD3 PRO 35 0.958 -4.661 -5.778 272 H ALA 36 H ALA 36 1.854 -9.446 -2.760 273 HA ALA 36 HA ALA 36 3.285 -8.684 -0.523 274 HB1 ALA 36 HB1 ALA 36 2.113 -10.978 -1.294 275 HB2 ALA 36 HB2 ALA 36 3.227 -10.870 0.068 276 HB3 ALA 36 HB3 ALA 36 3.807 -11.423 -1.503 277 H SER 37 H SER 37 4.362 -9.411 -3.711 278 HA SER 37 HA SER 37 7.082 -9.928 -3.229 279 HB2 SER 37 HB2 SER 37 5.903 -10.440 -5.350 280 HB3 SER 37 HB3 SER 37 5.787 -8.714 -5.684 281 HG SER 37 HG SER 37 8.336 -9.543 -5.107 282 H TRP 38 H TRP 38 5.249 -6.991 -3.439 283 HA TRP 38 HA TRP 38 7.174 -5.095 -4.018 284 HB2 TRP 38 HB2 TRP 38 4.813 -4.543 -3.872 285 HB3 TRP 38 HB3 TRP 38 4.811 -4.904 -2.152 286 HD1 TRP 38 HD1 TRP 38 6.697 -2.414 -4.483 287 HE1 TRP 38 HE1 TRP 38 6.866 -0.165 -3.236 288 HE3 TRP 38 HE3 TRP 38 4.480 -3.760 -0.088 289 HZ2 TRP 38 HZ2 TRP 38 6.140 0.894 -0.701 290 HZ3 TRP 38 HZ3 TRP 38 4.253 -2.084 1.694 291 HH2 TRP 38 HH2 TRP 38 5.068 0.194 1.390 292 H LYS 39 H LYS 39 8.663 -3.972 -2.860 293 HA LYS 39 HA LYS 39 9.380 -5.088 -0.249 294 HB2 LYS 39 HB2 LYS 39 10.996 -3.225 -1.996 295 HB3 LYS 39 HB3 LYS 39 11.560 -4.094 -0.576 296 HG2 LYS 39 HG2 LYS 39 10.835 -5.209 -3.265 297 HG3 LYS 39 HG3 LYS 39 12.391 -5.266 -2.438 298 HD2 LYS 39 HD2 LYS 39 11.435 -6.745 -0.739 299 HD3 LYS 39 HD3 LYS 39 9.871 -6.674 -1.551 300 HE2 LYS 39 HE2 LYS 39 11.035 -7.581 -3.598 301 HE3 LYS 39 HE3 LYS 39 12.428 -7.887 -2.564 302 HZ1 LYS 39 HZ1 LYS 39 9.723 -9.070 -2.327 303 HZ2 LYS 39 HZ2 LYS 39 10.917 -9.235 -1.143 304 HZ3 LYS 39 HZ3 LYS 39 11.167 -9.870 -2.686 305 H TRP 40 H TRP 40 9.041 -3.989 1.554 306 HA TRP 40 HA TRP 40 7.684 -1.504 1.463 307 HB2 TRP 40 HB2 TRP 40 7.220 -3.256 3.141 308 HB3 TRP 40 HB3 TRP 40 8.815 -3.004 3.833 309 HD1 TRP 40 HD1 TRP 40 7.368 -2.525 6.121 310 HE1 TRP 40 HE1 TRP 40 6.406 -0.320 7.016 311 HE3 TRP 40 HE3 TRP 40 7.412 0.225 1.791 312 HZ2 TRP 40 HZ2 TRP 40 5.747 2.228 6.034 313 HZ3 TRP 40 HZ3 TRP 40 6.600 2.536 1.870 314 HH2 TRP 40 HH2 TRP 40 5.788 3.519 3.947 315 H LYS 41 H LYS 41 9.369 -0.951 4.107 316 HA LYS 41 HA LYS 41 11.063 1.026 2.861 317 HB2 LYS 41 HB2 LYS 41 10.502 0.352 5.754 318 HB3 LYS 41 HB3 LYS 41 11.596 1.634 5.252 319 HG2 LYS 41 HG2 LYS 41 9.833 2.865 4.249 320 HG3 LYS 41 HG3 LYS 41 8.715 1.516 4.414 321 HD2 LYS 41 HD2 LYS 41 8.218 3.151 6.104 322 HD3 LYS 41 HD3 LYS 41 8.899 1.721 6.877 323 HE2 LYS 41 HE2 LYS 41 11.049 2.807 7.075 324 HE3 LYS 41 HE3 LYS 41 10.456 4.211 6.190 325 HZ1 LYS 41 HZ1 LYS 41 9.515 3.284 8.849 326 HZ2 LYS 41 HZ2 LYS 41 8.852 4.580 7.992 327 HZ3 LYS 41 HZ3 LYS 41 10.446 4.657 8.538 Start of MODEL 2 1 H1 LEU 1 H1 LEU 1 5.071 0.814 9.111 2 H2 LEU 1 H2 LEU 1 3.460 1.002 9.566 3 H3 LEU 1 H3 LEU 1 4.293 2.290 8.863 4 HA LEU 1 HA LEU 1 4.617 0.579 6.925 5 HB2 LEU 1 HB2 LEU 1 3.419 -1.139 8.340 6 HB3 LEU 1 HB3 LEU 1 1.957 -0.199 8.127 7 HG LEU 1 HG LEU 1 2.154 -0.546 5.664 8 HD11 LEU 1 HD11 LEU 1 4.184 -1.140 4.947 9 HD12 LEU 1 HD12 LEU 1 3.693 -2.775 5.384 10 HD13 LEU 1 HD13 LEU 1 4.649 -1.811 6.510 11 HD21 LEU 1 HD21 LEU 1 0.996 -2.510 5.745 12 HD22 LEU 1 HD22 LEU 1 0.947 -2.077 7.452 13 HD23 LEU 1 HD23 LEU 1 2.123 -3.257 6.877 14 H VAL 2 H VAL 2 4.397 3.222 7.081 15 HA VAL 2 HA VAL 2 1.901 3.831 5.653 16 HB VAL 2 HB VAL 2 1.976 6.104 6.500 17 HG11 VAL 2 HG11 VAL 2 1.969 3.869 8.490 18 HG12 VAL 2 HG12 VAL 2 0.613 4.787 7.838 19 HG13 VAL 2 HG13 VAL 2 1.704 5.534 9.005 20 HG21 VAL 2 HG21 VAL 2 3.599 6.467 8.494 21 HG22 VAL 2 HG22 VAL 2 4.190 6.653 6.844 22 HG23 VAL 2 HG23 VAL 2 4.527 5.173 7.738 23 H LEU 3 H LEU 3 2.108 4.631 3.696 24 HA LEU 3 HA LEU 3 4.768 5.175 2.631 25 HB2 LEU 3 HB2 LEU 3 2.071 4.667 1.392 26 HB3 LEU 3 HB3 LEU 3 3.427 5.237 0.449 27 HG LEU 3 HG LEU 3 4.651 3.221 0.821 28 HD11 LEU 3 HD11 LEU 3 3.744 1.386 2.198 29 HD12 LEU 3 HD12 LEU 3 2.464 2.465 2.752 30 HD13 LEU 3 HD13 LEU 3 4.146 2.817 3.144 31 HD21 LEU 3 HD21 LEU 3 2.642 1.540 0.226 32 HD22 LEU 3 HD22 LEU 3 3.349 2.668 -0.931 33 HD23 LEU 3 HD23 LEU 3 1.853 3.087 -0.090 34 H LYS 4 H LYS 4 5.025 7.003 1.136 35 HA LYS 4 HA LYS 4 3.940 9.428 2.263 36 HB2 LYS 4 HB2 LYS 4 5.849 8.852 -0.003 37 HB3 LYS 4 HB3 LYS 4 5.240 10.473 0.288 38 HG2 LYS 4 HG2 LYS 4 7.401 10.237 1.301 39 HG3 LYS 4 HG3 LYS 4 6.183 10.392 2.562 40 HD2 LYS 4 HD2 LYS 4 7.667 8.682 3.258 41 HD3 LYS 4 HD3 LYS 4 6.193 7.881 2.722 42 HE2 LYS 4 HE2 LYS 4 7.274 7.441 0.539 43 HE3 LYS 4 HE3 LYS 4 8.757 8.161 1.160 44 HZ1 LYS 4 HZ1 LYS 4 8.872 5.786 1.362 45 HZ2 LYS 4 HZ2 LYS 4 7.410 5.732 2.201 46 HZ3 LYS 4 HZ3 LYS 4 8.760 6.449 2.908 47 H TYR 5 H TYR 5 3.517 7.412 -0.509 48 HA TYR 5 HA TYR 5 0.934 8.521 -1.102 49 HB2 TYR 5 HB2 TYR 5 1.425 9.076 -3.435 50 HB3 TYR 5 HB3 TYR 5 2.407 10.054 -2.356 51 HD1 TYR 5 HD1 TYR 5 2.440 7.286 -4.774 52 HD2 TYR 5 HD2 TYR 5 4.816 9.805 -2.297 53 HE1 TYR 5 HE1 TYR 5 4.458 6.540 -5.963 54 HE2 TYR 5 HE2 TYR 5 6.839 9.070 -3.485 55 HH TYR 5 HH TYR 5 6.955 7.809 -6.319 56 H CYS 6 H CYS 6 -0.260 7.130 -2.513 57 HA CYS 6 HA CYS 6 0.485 4.392 -2.240 58 HB2 CYS 6 HB2 CYS 6 -1.878 5.293 -2.176 59 HB3 CYS 6 HB3 CYS 6 -1.772 5.486 -3.922 60 HA PRO 7 HA PRO 7 2.846 4.349 -6.068 61 HB2 PRO 7 HB2 PRO 7 3.132 1.481 -5.552 62 HB3 PRO 7 HB3 PRO 7 4.374 2.730 -5.627 63 HG2 PRO 7 HG2 PRO 7 3.661 1.532 -3.318 64 HG3 PRO 7 HG3 PRO 7 4.205 3.217 -3.390 65 HD2 PRO 7 HD2 PRO 7 1.426 2.128 -3.170 66 HD3 PRO 7 HD3 PRO 7 2.157 3.529 -2.361 67 H LYS 8 H LYS 8 2.180 4.019 -8.096 68 HA LYS 8 HA LYS 8 -0.360 3.071 -8.702 69 HB2 LYS 8 HB2 LYS 8 0.265 3.264 -11.032 70 HB3 LYS 8 HB3 LYS 8 0.898 4.627 -10.124 71 HG2 LYS 8 HG2 LYS 8 2.651 4.063 -11.513 72 HG3 LYS 8 HG3 LYS 8 3.072 3.260 -10.002 73 HD2 LYS 8 HD2 LYS 8 2.351 1.143 -10.838 74 HD3 LYS 8 HD3 LYS 8 1.624 1.887 -12.259 75 HE2 LYS 8 HE2 LYS 8 4.565 1.811 -11.599 76 HE3 LYS 8 HE3 LYS 8 3.748 0.808 -12.795 77 HZ1 LYS 8 HZ1 LYS 8 4.745 2.583 -13.949 78 HZ2 LYS 8 HZ2 LYS 8 4.150 3.740 -12.872 79 HZ3 LYS 8 HZ3 LYS 8 3.094 2.929 -13.913 80 H ILE 9 H ILE 9 2.591 1.339 -8.286 81 HA ILE 9 HA ILE 9 2.069 -0.924 -9.858 82 HB ILE 9 HB ILE 9 4.267 -0.585 -8.874 83 HG12 ILE 9 HG12 ILE 9 4.696 -2.858 -8.036 84 HG13 ILE 9 HG13 ILE 9 2.971 -3.102 -7.791 85 HG21 ILE 9 HG21 ILE 9 4.528 0.045 -6.765 86 HG22 ILE 9 HG22 ILE 9 3.893 -1.504 -6.212 87 HG23 ILE 9 HG23 ILE 9 2.798 -0.152 -6.490 88 HD11 ILE 9 HD11 ILE 9 2.570 -3.021 -10.149 89 HD12 ILE 9 HD12 ILE 9 3.870 -4.169 -9.832 90 HD13 ILE 9 HD13 ILE 9 4.244 -2.566 -10.462 91 H GLY 10 H GLY 10 0.906 0.051 -6.720 92 HA2 GLY 10 HA2 GLY 10 -0.402 -2.535 -6.303 93 HA3 GLY 10 HA3 GLY 10 -0.287 -1.225 -5.143 94 H TYR 11 H TYR 11 -2.418 -1.201 -4.647 95 HA TYR 11 HA TYR 11 -4.154 0.240 -6.456 96 HB2 TYR 11 HB2 TYR 11 -5.090 -2.387 -5.276 97 HB3 TYR 11 HB3 TYR 11 -5.981 -1.334 -6.362 98 HD1 TYR 11 HD1 TYR 11 -2.960 -3.496 -6.192 99 HD2 TYR 11 HD2 TYR 11 -5.916 -1.690 -8.654 100 HE1 TYR 11 HE1 TYR 11 -2.157 -4.814 -8.105 101 HE2 TYR 11 HE2 TYR 11 -5.124 -3.002 -10.580 102 HH TYR 11 HH TYR 11 -2.759 -4.149 -11.189 103 H CYS 12 H CYS 12 -5.367 1.649 -5.247 104 HA CYS 12 HA CYS 12 -5.193 1.352 -2.337 105 HB2 CYS 12 HB2 CYS 12 -4.477 3.500 -3.310 106 HB3 CYS 12 HB3 CYS 12 -6.082 3.722 -3.991 107 H SER 13 H SER 13 -6.895 0.726 -1.147 108 HA SER 13 HA SER 13 -9.597 1.254 -2.051 109 HB2 SER 13 HB2 SER 13 -10.134 -1.270 -1.684 110 HB3 SER 13 HB3 SER 13 -9.425 -0.761 -3.215 111 HG SER 13 HG SER 13 -7.504 -1.320 -1.384 112 H ASN 14 H ASN 14 -11.232 0.511 -0.457 113 HA ASN 14 HA ASN 14 -10.787 1.536 2.066 114 HB2 ASN 14 HB2 ASN 14 -12.917 0.751 2.650 115 HB3 ASN 14 HB3 ASN 14 -13.009 0.917 0.900 116 HD21 ASN 14 HD21 ASN 14 -13.930 -0.995 3.312 117 HD22 ASN 14 HD22 ASN 14 -13.958 -2.527 2.510 118 H THR 15 H THR 15 -10.250 -1.686 0.870 119 HA THR 15 HA THR 15 -8.801 -2.356 3.303 120 HB THR 15 HB THR 15 -9.915 -4.616 3.366 121 HG1 THR 15 HG1 THR 15 -11.918 -3.310 1.804 122 HG21 THR 15 HG21 THR 15 -10.465 -2.802 4.964 123 HG22 THR 15 HG22 THR 15 -11.829 -3.872 4.645 124 HG23 THR 15 HG23 THR 15 -11.759 -2.283 3.886 125 H CYS 16 H CYS 16 -7.235 -4.006 2.960 126 HA CYS 16 HA CYS 16 -6.692 -4.487 0.114 127 HB2 CYS 16 HB2 CYS 16 -4.818 -4.270 2.467 128 HB3 CYS 16 HB3 CYS 16 -4.315 -4.747 0.849 129 H SER 17 H SER 17 -6.140 -6.457 -0.633 130 HA SER 17 HA SER 17 -7.185 -8.727 0.638 131 HB2 SER 17 HB2 SER 17 -5.926 -9.970 -1.182 132 HB3 SER 17 HB3 SER 17 -7.015 -8.711 -1.758 133 HG SER 17 HG SER 17 -5.233 -7.344 -2.010 134 H LYS 18 H LYS 18 -6.168 -10.439 1.694 135 HA LYS 18 HA LYS 18 -4.178 -9.910 3.491 136 HB2 LYS 18 HB2 LYS 18 -4.779 -12.577 2.208 137 HB3 LYS 18 HB3 LYS 18 -3.897 -12.349 3.712 138 HG2 LYS 18 HG2 LYS 18 -5.847 -11.455 4.788 139 HG3 LYS 18 HG3 LYS 18 -6.739 -11.469 3.270 140 HD2 LYS 18 HD2 LYS 18 -5.645 -13.930 4.622 141 HD3 LYS 18 HD3 LYS 18 -7.301 -13.349 4.803 142 HE2 LYS 18 HE2 LYS 18 -5.986 -14.169 2.215 143 HE3 LYS 18 HE3 LYS 18 -7.146 -15.126 3.129 144 HZ1 LYS 18 HZ1 LYS 18 -8.263 -12.599 2.677 145 HZ2 LYS 18 HZ2 LYS 18 -8.771 -14.092 2.068 146 HZ3 LYS 18 HZ3 LYS 18 -7.659 -13.164 1.203 147 H THR 19 H THR 19 -3.839 -11.061 0.201 148 HA THR 19 HA THR 19 -1.082 -11.620 0.299 149 HB THR 19 HB THR 19 -2.709 -10.743 -2.095 150 HG1 THR 19 HG1 THR 19 -2.222 -13.335 -0.983 151 HG21 THR 19 HG21 THR 19 -0.519 -10.657 -2.824 152 HG22 THR 19 HG22 THR 19 -0.934 -12.334 -3.176 153 HG23 THR 19 HG23 THR 19 0.005 -11.940 -1.735 154 H GLN 20 H GLN 20 -2.893 -8.672 -0.368 155 HA GLN 20 HA GLN 20 -0.485 -7.199 -1.018 156 HB2 GLN 20 HB2 GLN 20 -3.375 -6.363 -0.832 157 HB3 GLN 20 HB3 GLN 20 -2.064 -5.267 -1.242 158 HG2 GLN 20 HG2 GLN 20 -1.572 -6.524 -3.235 159 HG3 GLN 20 HG3 GLN 20 -2.777 -7.738 -2.802 160 HE21 GLN 20 HE21 GLN 20 -2.245 -5.177 -4.743 161 HE22 GLN 20 HE22 GLN 20 -3.873 -4.644 -4.978 162 H ILE 21 H ILE 21 0.515 -5.718 0.218 163 HA ILE 21 HA ILE 21 0.201 -5.818 3.043 164 HB ILE 21 HB ILE 21 1.740 -3.821 1.369 165 HG12 ILE 21 HG12 ILE 21 2.706 -6.375 2.677 166 HG13 ILE 21 HG13 ILE 21 2.422 -6.165 0.952 167 HG21 ILE 21 HG21 ILE 21 3.113 -3.607 3.477 168 HG22 ILE 21 HG22 ILE 21 1.821 -4.478 4.304 169 HG23 ILE 21 HG23 ILE 21 1.490 -2.922 3.543 170 HD11 ILE 21 HD11 ILE 21 4.710 -5.426 2.565 171 HD12 ILE 21 HD12 ILE 21 4.122 -4.092 1.576 172 HD13 ILE 21 HD13 ILE 21 4.568 -5.621 0.819 173 H TRP 22 H TRP 22 -0.983 -4.527 4.365 174 HA TRP 22 HA TRP 22 -2.810 -2.625 3.205 175 HB2 TRP 22 HB2 TRP 22 -2.299 -3.520 6.042 176 HB3 TRP 22 HB3 TRP 22 -3.461 -2.261 5.642 177 HD1 TRP 22 HD1 TRP 22 -2.849 -5.846 4.232 178 HE1 TRP 22 HE1 TRP 22 -5.140 -7.022 4.087 179 HE3 TRP 22 HE3 TRP 22 -5.796 -2.090 6.043 180 HZ2 TRP 22 HZ2 TRP 22 -7.835 -6.419 4.670 181 HZ3 TRP 22 HZ3 TRP 22 -8.221 -2.464 6.212 182 HH2 TRP 22 HH2 TRP 22 -9.218 -4.587 5.540 183 H ALA 23 H ALA 23 -0.459 -1.697 2.520 184 HA ALA 23 HA ALA 23 0.813 0.017 4.375 185 HB1 ALA 23 HB1 ALA 23 1.261 1.012 1.783 186 HB2 ALA 23 HB2 ALA 23 1.136 -0.739 1.629 187 HB3 ALA 23 HB3 ALA 23 2.312 -0.034 2.737 188 H THR 24 H THR 24 0.064 1.850 5.199 189 HA THR 24 HA THR 24 -2.232 3.145 3.995 190 HB THR 24 HB THR 24 -0.649 4.017 6.419 191 HG1 THR 24 HG1 THR 24 -2.526 1.983 6.033 192 HG21 THR 24 HG21 THR 24 -2.831 5.057 7.052 193 HG22 THR 24 HG22 THR 24 -3.448 4.625 5.458 194 HG23 THR 24 HG23 THR 24 -2.106 5.758 5.606 195 H SER 25 H SER 25 -1.825 4.398 2.280 196 HA SER 25 HA SER 25 0.690 5.813 2.050 197 HB2 SER 25 HB2 SER 25 -0.257 6.524 -0.166 198 HB3 SER 25 HB3 SER 25 -0.099 4.781 0.041 199 HG SER 25 HG SER 25 -2.510 5.663 0.906 200 H HIS 26 H HIS 26 0.991 7.885 2.506 201 HA HIS 26 HA HIS 26 -1.081 9.430 3.722 202 HB2 HIS 26 HB2 HIS 26 1.780 10.092 2.995 203 HB3 HIS 26 HB3 HIS 26 0.712 11.191 3.861 204 HD1 HIS 26 HD1 HIS 26 -0.442 9.696 6.072 205 HD2 HIS 26 HD2 HIS 26 3.424 8.915 4.771 206 HE1 HIS 26 HE1 HIS 26 0.703 8.574 8.002 207 HE2 HIS 26 HE2 HIS 26 3.097 8.337 7.271 208 H GLY 27 H GLY 27 -1.831 8.799 1.115 209 HA2 GLY 27 HA2 GLY 27 -2.364 11.419 0.098 210 HA3 GLY 27 HA3 GLY 27 -1.229 10.539 -0.912 211 H CYS 28 H CYS 28 -3.748 8.834 0.807 212 HA CYS 28 HA CYS 28 -5.473 8.856 -1.530 213 HB2 CYS 28 HB2 CYS 28 -3.893 6.964 -1.928 214 HB3 CYS 28 HB3 CYS 28 -4.479 6.219 -0.441 215 H LYS 29 H LYS 29 -7.563 8.330 -1.138 216 HA LYS 29 HA LYS 29 -8.657 8.979 1.301 217 HB2 LYS 29 HB2 LYS 29 -10.754 7.893 0.380 218 HB3 LYS 29 HB3 LYS 29 -10.016 9.132 -0.624 219 HG2 LYS 29 HG2 LYS 29 -9.037 7.438 -2.051 220 HG3 LYS 29 HG3 LYS 29 -9.663 6.162 -1.008 221 HD2 LYS 29 HD2 LYS 29 -11.939 6.812 -1.533 222 HD3 LYS 29 HD3 LYS 29 -11.355 8.159 -2.511 223 HE2 LYS 29 HE2 LYS 29 -10.849 5.234 -3.055 224 HE3 LYS 29 HE3 LYS 29 -12.045 6.234 -3.873 225 HZ1 LYS 29 HZ1 LYS 29 -10.289 6.305 -5.323 226 HZ2 LYS 29 HZ2 LYS 29 -9.117 6.284 -4.106 227 HZ3 LYS 29 HZ3 LYS 29 -9.990 7.696 -4.412 228 H MET 30 H MET 30 -8.197 5.699 -0.018 229 HA MET 30 HA MET 30 -8.863 4.631 2.641 230 HB2 MET 30 HB2 MET 30 -8.836 3.248 -0.048 231 HB3 MET 30 HB3 MET 30 -9.281 2.506 1.480 232 HG2 MET 30 HG2 MET 30 -10.718 4.819 0.214 233 HG3 MET 30 HG3 MET 30 -11.223 3.133 0.122 234 HE1 MET 30 HE1 MET 30 -13.099 5.633 1.327 235 HE2 MET 30 HE2 MET 30 -13.904 4.607 2.515 236 HE3 MET 30 HE3 MET 30 -13.541 3.976 0.908 237 H TYR 31 H TYR 31 -7.656 2.020 1.906 238 HA TYR 31 HA TYR 31 -4.960 2.605 2.794 239 HB2 TYR 31 HB2 TYR 31 -6.329 -0.042 2.260 240 HB3 TYR 31 HB3 TYR 31 -4.734 0.149 2.967 241 HD1 TYR 31 HD1 TYR 31 -8.263 1.243 3.570 242 HD2 TYR 31 HD2 TYR 31 -4.549 0.017 5.244 243 HE1 TYR 31 HE1 TYR 31 -9.277 1.243 5.808 244 HE2 TYR 31 HE2 TYR 31 -5.557 0.013 7.485 245 HH TYR 31 HH TYR 31 -8.106 -0.288 8.356 246 H CYS 32 H CYS 32 -3.090 1.733 1.731 247 HA CYS 32 HA CYS 32 -3.451 1.540 -1.175 248 HB2 CYS 32 HB2 CYS 32 -1.865 3.289 -0.281 249 HB3 CYS 32 HB3 CYS 32 -0.861 1.981 0.330 250 H CYS 33 H CYS 33 -3.351 -0.404 -2.006 251 HA CYS 33 HA CYS 33 -2.261 -2.592 -0.399 252 HB2 CYS 33 HB2 CYS 33 -3.936 -2.840 -2.897 253 HB3 CYS 33 HB3 CYS 33 -3.696 -4.030 -1.622 254 H LEU 34 H LEU 34 -0.509 -3.687 -1.029 255 HA LEU 34 HA LEU 34 0.444 -3.406 -3.781 256 HB2 LEU 34 HB2 LEU 34 2.066 -2.866 -1.298 257 HB3 LEU 34 HB3 LEU 34 2.756 -3.053 -2.894 258 HG LEU 34 HG LEU 34 0.654 -0.972 -2.421 259 HD11 LEU 34 HD11 LEU 34 2.653 -0.893 -0.732 260 HD12 LEU 34 HD12 LEU 34 2.108 0.571 -1.548 261 HD13 LEU 34 HD13 LEU 34 3.535 -0.282 -2.128 262 HD21 LEU 34 HD21 LEU 34 1.762 -1.774 -4.670 263 HD22 LEU 34 HD22 LEU 34 3.043 -0.679 -4.156 264 HD23 LEU 34 HD23 LEU 34 1.402 -0.072 -4.378 265 HA PRO 35 HA PRO 35 1.012 -7.766 -3.659 266 HB2 PRO 35 HB2 PRO 35 3.640 -7.211 -4.951 267 HB3 PRO 35 HB3 PRO 35 2.341 -8.291 -5.465 268 HG2 PRO 35 HG2 PRO 35 2.776 -5.927 -6.662 269 HG3 PRO 35 HG3 PRO 35 1.151 -6.602 -6.470 270 HD2 PRO 35 HD2 PRO 35 2.446 -4.354 -5.040 271 HD3 PRO 35 HD3 PRO 35 0.728 -4.641 -5.377 272 H ALA 36 H ALA 36 1.940 -9.191 -2.250 273 HA ALA 36 HA ALA 36 3.366 -8.360 -0.036 274 HB1 ALA 36 HB1 ALA 36 4.042 -10.830 0.128 275 HB2 ALA 36 HB2 ALA 36 3.103 -11.052 -1.347 276 HB3 ALA 36 HB3 ALA 36 2.319 -10.458 0.115 277 H SER 37 H SER 37 4.473 -9.444 -3.159 278 HA SER 37 HA SER 37 7.214 -9.724 -2.567 279 HB2 SER 37 HB2 SER 37 5.939 -10.591 -4.604 280 HB3 SER 37 HB3 SER 37 6.083 -8.962 -5.260 281 HG SER 37 HG SER 37 7.847 -10.902 -5.399 282 H TRP 38 H TRP 38 5.229 -6.956 -3.225 283 HA TRP 38 HA TRP 38 7.015 -5.084 -4.168 284 HB2 TRP 38 HB2 TRP 38 4.649 -4.577 -3.871 285 HB3 TRP 38 HB3 TRP 38 4.823 -4.706 -2.126 286 HD1 TRP 38 HD1 TRP 38 6.309 -2.486 -4.960 287 HE1 TRP 38 HE1 TRP 38 6.561 -0.097 -4.019 288 HE3 TRP 38 HE3 TRP 38 4.777 -3.343 -0.170 289 HZ2 TRP 38 HZ2 TRP 38 6.151 1.238 -1.556 290 HZ3 TRP 38 HZ3 TRP 38 4.734 -1.466 1.418 291 HH2 TRP 38 HH2 TRP 38 5.411 0.777 0.735 292 H LYS 39 H LYS 39 8.730 -4.054 -3.367 293 HA LYS 39 HA LYS 39 9.745 -4.850 -0.795 294 HB2 LYS 39 HB2 LYS 39 10.835 -3.019 -2.931 295 HB3 LYS 39 HB3 LYS 39 11.665 -3.335 -1.417 296 HG2 LYS 39 HG2 LYS 39 10.899 -5.472 -3.388 297 HG3 LYS 39 HG3 LYS 39 12.472 -4.679 -3.352 298 HD2 LYS 39 HD2 LYS 39 11.346 -6.037 -0.921 299 HD3 LYS 39 HD3 LYS 39 12.213 -6.944 -2.159 300 HE2 LYS 39 HE2 LYS 39 13.746 -6.348 -0.409 301 HE3 LYS 39 HE3 LYS 39 14.144 -5.426 -1.855 302 HZ1 LYS 39 HZ1 LYS 39 13.566 -3.483 -0.883 303 HZ2 LYS 39 HZ2 LYS 39 13.959 -4.329 0.527 304 HZ3 LYS 39 HZ3 LYS 39 12.346 -4.169 0.064 305 H TRP 40 H TRP 40 9.210 -3.919 1.006 306 HA TRP 40 HA TRP 40 8.140 -1.227 0.993 307 HB2 TRP 40 HB2 TRP 40 6.950 -2.986 2.247 308 HB3 TRP 40 HB3 TRP 40 8.380 -3.251 3.232 309 HD1 TRP 40 HD1 TRP 40 7.024 -2.681 5.439 310 HE1 TRP 40 HE1 TRP 40 6.283 -0.457 6.491 311 HE3 TRP 40 HE3 TRP 40 7.660 0.405 1.394 312 HZ2 TRP 40 HZ2 TRP 40 5.997 2.231 5.718 313 HZ3 TRP 40 HZ3 TRP 40 7.130 2.786 1.647 314 HH2 TRP 40 HH2 TRP 40 6.318 3.682 3.764 315 H LYS 41 H LYS 41 9.316 -1.340 3.973 316 HA LYS 41 HA LYS 41 11.551 0.326 3.365 317 HB2 LYS 41 HB2 LYS 41 10.982 -0.920 6.048 318 HB3 LYS 41 HB3 LYS 41 11.783 0.610 5.707 319 HG2 LYS 41 HG2 LYS 41 9.577 1.388 4.743 320 HG3 LYS 41 HG3 LYS 41 8.873 -0.055 5.462 321 HD2 LYS 41 HD2 LYS 41 10.261 2.193 6.899 322 HD3 LYS 41 HD3 LYS 41 8.543 1.811 6.932 323 HE2 LYS 41 HE2 LYS 41 9.347 0.945 8.942 324 HE3 LYS 41 HE3 LYS 41 9.263 -0.459 7.884 325 HZ1 LYS 41 HZ1 LYS 41 11.357 -0.077 9.293 326 HZ2 LYS 41 HZ2 LYS 41 11.763 1.079 8.131 327 HZ3 LYS 41 HZ3 LYS 41 11.550 -0.533 7.680 Start of MODEL 3 1 H1 LEU 1 H1 LEU 1 2.911 1.570 9.862 2 H2 LEU 1 H2 LEU 1 3.797 2.871 9.258 3 H3 LEU 1 H3 LEU 1 4.577 1.417 9.619 4 HA LEU 1 HA LEU 1 4.406 1.118 7.412 5 HB2 LEU 1 HB2 LEU 1 3.014 -0.568 8.655 6 HB3 LEU 1 HB3 LEU 1 1.602 0.396 8.273 7 HG LEU 1 HG LEU 1 2.076 0.036 5.849 8 HD11 LEU 1 HD11 LEU 1 4.248 -0.501 5.505 9 HD12 LEU 1 HD12 LEU 1 3.582 -2.130 5.584 10 HD13 LEU 1 HD13 LEU 1 4.374 -1.433 6.997 11 HD21 LEU 1 HD21 LEU 1 0.414 -1.319 6.915 12 HD22 LEU 1 HD22 LEU 1 1.645 -2.392 7.578 13 HD23 LEU 1 HD23 LEU 1 1.360 -2.343 5.838 14 H VAL 2 H VAL 2 4.167 3.790 7.574 15 HA VAL 2 HA VAL 2 1.832 4.483 5.940 16 HB VAL 2 HB VAL 2 1.990 5.754 8.024 17 HG11 VAL 2 HG11 VAL 2 4.665 5.673 7.661 18 HG12 VAL 2 HG12 VAL 2 3.844 6.775 8.764 19 HG13 VAL 2 HG13 VAL 2 4.310 7.322 7.153 20 HG21 VAL 2 HG21 VAL 2 1.791 7.993 7.064 21 HG22 VAL 2 HG22 VAL 2 0.972 6.797 6.059 22 HG23 VAL 2 HG23 VAL 2 2.544 7.429 5.573 23 H LEU 3 H LEU 3 2.132 4.920 3.880 24 HA LEU 3 HA LEU 3 4.839 5.251 2.830 25 HB2 LEU 3 HB2 LEU 3 2.178 4.628 1.574 26 HB3 LEU 3 HB3 LEU 3 3.586 5.022 0.620 27 HG LEU 3 HG LEU 3 4.719 3.037 1.328 28 HD11 LEU 3 HD11 LEU 3 2.383 2.587 3.180 29 HD12 LEU 3 HD12 LEU 3 4.034 2.975 3.655 30 HD13 LEU 3 HD13 LEU 3 3.684 1.437 2.873 31 HD21 LEU 3 HD21 LEU 3 2.859 1.320 0.717 32 HD22 LEU 3 HD22 LEU 3 3.378 2.514 -0.474 33 HD23 LEU 3 HD23 LEU 3 1.884 2.766 0.433 34 H LYS 4 H LYS 4 5.495 7.079 1.753 35 HA LYS 4 HA LYS 4 4.149 9.517 2.219 36 HB2 LYS 4 HB2 LYS 4 6.310 8.799 0.230 37 HB3 LYS 4 HB3 LYS 4 5.708 10.431 0.450 38 HG2 LYS 4 HG2 LYS 4 7.746 10.209 1.649 39 HG3 LYS 4 HG3 LYS 4 6.431 10.308 2.820 40 HD2 LYS 4 HD2 LYS 4 6.488 7.950 3.189 41 HD3 LYS 4 HD3 LYS 4 7.643 7.722 1.872 42 HE2 LYS 4 HE2 LYS 4 8.131 9.210 4.444 43 HE3 LYS 4 HE3 LYS 4 8.766 7.622 4.023 44 HZ1 LYS 4 HZ1 LYS 4 10.331 9.529 3.715 45 HZ2 LYS 4 HZ2 LYS 4 9.351 10.058 2.444 46 HZ3 LYS 4 HZ3 LYS 4 10.116 8.558 2.351 47 H TYR 5 H TYR 5 4.233 7.196 -0.351 48 HA TYR 5 HA TYR 5 1.811 8.245 -1.535 49 HB2 TYR 5 HB2 TYR 5 3.016 8.230 -3.830 50 HB3 TYR 5 HB3 TYR 5 3.285 9.608 -2.764 51 HD1 TYR 5 HD1 TYR 5 5.409 9.907 -1.622 52 HD2 TYR 5 HD2 TYR 5 4.800 6.620 -4.255 53 HE1 TYR 5 HE1 TYR 5 7.828 9.474 -1.623 54 HE2 TYR 5 HE2 TYR 5 7.221 6.189 -4.277 55 HH TYR 5 HH TYR 5 9.326 7.440 -2.047 56 H CYS 6 H CYS 6 0.670 6.697 -2.588 57 HA CYS 6 HA CYS 6 1.458 3.966 -2.227 58 HB2 CYS 6 HB2 CYS 6 -0.877 4.682 -1.954 59 HB3 CYS 6 HB3 CYS 6 -0.935 5.169 -3.637 60 HA PRO 7 HA PRO 7 3.628 3.636 -6.131 61 HB2 PRO 7 HB2 PRO 7 3.009 0.749 -5.792 62 HB3 PRO 7 HB3 PRO 7 4.567 1.541 -6.050 63 HG2 PRO 7 HG2 PRO 7 3.914 0.566 -3.660 64 HG3 PRO 7 HG3 PRO 7 4.807 2.088 -3.809 65 HD2 PRO 7 HD2 PRO 7 1.911 1.643 -3.207 66 HD3 PRO 7 HD3 PRO 7 3.034 2.841 -2.529 67 H LYS 8 H LYS 8 2.889 3.703 -8.191 68 HA LYS 8 HA LYS 8 0.225 3.726 -8.834 69 HB2 LYS 8 HB2 LYS 8 1.901 4.682 -10.295 70 HB3 LYS 8 HB3 LYS 8 2.562 3.089 -10.628 71 HG2 LYS 8 HG2 LYS 8 1.285 3.734 -12.514 72 HG3 LYS 8 HG3 LYS 8 0.375 2.483 -11.674 73 HD2 LYS 8 HD2 LYS 8 -0.231 5.279 -10.919 74 HD3 LYS 8 HD3 LYS 8 -0.703 4.793 -12.545 75 HE2 LYS 8 HE2 LYS 8 -2.597 4.207 -11.427 76 HE3 LYS 8 HE3 LYS 8 -1.693 2.710 -11.241 77 HZ1 LYS 8 HZ1 LYS 8 -1.574 2.984 -9.044 78 HZ2 LYS 8 HZ2 LYS 8 -2.801 4.130 -9.232 79 HZ3 LYS 8 HZ3 LYS 8 -1.190 4.627 -9.156 80 H ILE 9 H ILE 9 2.446 1.012 -8.918 81 HA ILE 9 HA ILE 9 0.814 -0.830 -10.257 82 HB ILE 9 HB ILE 9 3.170 -1.289 -9.860 83 HG12 ILE 9 HG12 ILE 9 1.383 -3.295 -8.461 84 HG13 ILE 9 HG13 ILE 9 1.664 -3.202 -10.196 85 HG21 ILE 9 HG21 ILE 9 2.528 -1.719 -6.951 86 HG22 ILE 9 HG22 ILE 9 3.202 -0.217 -7.582 87 HG23 ILE 9 HG23 ILE 9 4.112 -1.719 -7.727 88 HD11 ILE 9 HD11 ILE 9 4.200 -3.389 -9.080 89 HD12 ILE 9 HD12 ILE 9 3.297 -4.659 -9.903 90 HD13 ILE 9 HD13 ILE 9 3.204 -4.508 -8.149 91 H GLY 10 H GLY 10 0.958 0.178 -6.908 92 HA2 GLY 10 HA2 GLY 10 -0.763 -1.848 -5.889 93 HA3 GLY 10 HA3 GLY 10 -0.326 -0.349 -5.083 94 H TYR 11 H TYR 11 -2.751 -1.038 -4.590 95 HA TYR 11 HA TYR 11 -4.384 0.796 -6.192 96 HB2 TYR 11 HB2 TYR 11 -5.394 -1.894 -5.248 97 HB3 TYR 11 HB3 TYR 11 -6.246 -0.729 -6.256 98 HD1 TYR 11 HD1 TYR 11 -3.270 -2.955 -6.204 99 HD2 TYR 11 HD2 TYR 11 -6.101 -0.848 -8.576 100 HE1 TYR 11 HE1 TYR 11 -2.388 -4.053 -8.218 101 HE2 TYR 11 HE2 TYR 11 -5.229 -1.946 -10.594 102 HH TYR 11 HH TYR 11 -2.501 -3.175 -10.983 103 H CYS 12 H CYS 12 -5.515 2.163 -4.924 104 HA CYS 12 HA CYS 12 -5.392 1.681 -2.050 105 HB2 CYS 12 HB2 CYS 12 -6.082 4.173 -3.610 106 HB3 CYS 12 HB3 CYS 12 -6.062 4.072 -1.853 107 H SER 13 H SER 13 -7.039 0.894 -0.987 108 HA SER 13 HA SER 13 -9.761 1.630 -1.668 109 HB2 SER 13 HB2 SER 13 -9.246 -0.344 -3.118 110 HB3 SER 13 HB3 SER 13 -8.912 -1.284 -1.665 111 HG SER 13 HG SER 13 -10.976 -1.721 -1.852 112 H ASN 14 H ASN 14 -11.302 0.449 -0.080 113 HA ASN 14 HA ASN 14 -10.523 1.123 2.541 114 HB2 ASN 14 HB2 ASN 14 -12.862 1.171 1.836 115 HB3 ASN 14 HB3 ASN 14 -12.848 -0.576 1.630 116 HD21 ASN 14 HD21 ASN 14 -13.465 1.951 3.733 117 HD22 ASN 14 HD22 ASN 14 -13.623 1.038 5.192 118 H THR 15 H THR 15 -10.303 -1.832 0.747 119 HA THR 15 HA THR 15 -8.853 -3.019 2.978 120 HB THR 15 HB THR 15 -10.027 -5.191 2.690 121 HG1 THR 15 HG1 THR 15 -11.686 -3.592 1.020 122 HG21 THR 15 HG21 THR 15 -11.797 -4.683 4.128 123 HG22 THR 15 HG22 THR 15 -12.055 -3.098 3.402 124 HG23 THR 15 HG23 THR 15 -10.642 -3.386 4.416 125 H CYS 16 H CYS 16 -7.249 -4.419 2.371 126 HA CYS 16 HA CYS 16 -6.761 -4.631 -0.518 127 HB2 CYS 16 HB2 CYS 16 -4.844 -4.517 1.811 128 HB3 CYS 16 HB3 CYS 16 -4.352 -4.886 0.160 129 H SER 17 H SER 17 -6.128 -6.566 -1.414 130 HA SER 17 HA SER 17 -7.186 -8.906 -0.396 131 HB2 SER 17 HB2 SER 17 -6.400 -8.427 -2.782 132 HB3 SER 17 HB3 SER 17 -4.782 -8.828 -2.220 133 HG SER 17 HG SER 17 -6.819 -10.471 -2.892 134 H LYS 18 H LYS 18 -6.327 -10.636 0.766 135 HA LYS 18 HA LYS 18 -4.593 -10.108 2.833 136 HB2 LYS 18 HB2 LYS 18 -5.017 -12.797 1.520 137 HB3 LYS 18 HB3 LYS 18 -4.375 -12.530 3.131 138 HG2 LYS 18 HG2 LYS 18 -7.166 -11.936 2.175 139 HG3 LYS 18 HG3 LYS 18 -6.671 -13.205 3.289 140 HD2 LYS 18 HD2 LYS 18 -7.415 -11.643 4.784 141 HD3 LYS 18 HD3 LYS 18 -5.726 -11.159 4.666 142 HE2 LYS 18 HE2 LYS 18 -7.154 -9.209 4.549 143 HE3 LYS 18 HE3 LYS 18 -6.360 -9.451 3.001 144 HZ1 LYS 18 HZ1 LYS 18 -9.177 -9.692 3.700 145 HZ2 LYS 18 HZ2 LYS 18 -8.584 -10.781 2.555 146 HZ3 LYS 18 HZ3 LYS 18 -8.462 -9.120 2.281 147 H THR 19 H THR 19 -3.883 -11.322 -0.379 148 HA THR 19 HA THR 19 -1.074 -11.665 0.128 149 HB THR 19 HB THR 19 -2.259 -13.042 -1.546 150 HG1 THR 19 HG1 THR 19 -0.195 -11.360 -2.593 151 HG21 THR 19 HG21 THR 19 -2.269 -10.941 -3.600 152 HG22 THR 19 HG22 THR 19 -3.480 -10.741 -2.334 153 HG23 THR 19 HG23 THR 19 -3.434 -12.224 -3.284 154 H GLN 20 H GLN 20 -2.175 -9.017 0.695 155 HA GLN 20 HA GLN 20 -0.267 -7.467 -0.854 156 HB2 GLN 20 HB2 GLN 20 -3.175 -6.657 -0.640 157 HB3 GLN 20 HB3 GLN 20 -1.892 -5.686 -1.343 158 HG2 GLN 20 HG2 GLN 20 -1.588 -7.339 -3.103 159 HG3 GLN 20 HG3 GLN 20 -2.850 -8.340 -2.389 160 HE21 GLN 20 HE21 GLN 20 -2.309 -6.395 -4.869 161 HE22 GLN 20 HE22 GLN 20 -3.873 -5.685 -5.085 162 H ILE 21 H ILE 21 0.654 -5.852 0.315 163 HA ILE 21 HA ILE 21 0.222 -5.828 3.143 164 HB ILE 21 HB ILE 21 1.899 -3.978 1.429 165 HG12 ILE 21 HG12 ILE 21 2.705 -6.408 3.049 166 HG13 ILE 21 HG13 ILE 21 2.542 -6.373 1.298 167 HG21 ILE 21 HG21 ILE 21 1.981 -4.429 4.414 168 HG22 ILE 21 HG22 ILE 21 1.340 -2.997 3.611 169 HG23 ILE 21 HG23 ILE 21 3.055 -3.379 3.490 170 HD11 ILE 21 HD11 ILE 21 4.633 -5.690 1.107 171 HD12 ILE 21 HD12 ILE 21 4.804 -5.762 2.861 172 HD13 ILE 21 HD13 ILE 21 4.283 -4.266 2.086 173 H TRP 22 H TRP 22 -1.183 -4.628 4.253 174 HA TRP 22 HA TRP 22 -2.818 -2.660 2.932 175 HB2 TRP 22 HB2 TRP 22 -2.705 -3.577 5.813 176 HB3 TRP 22 HB3 TRP 22 -3.877 -2.422 5.192 177 HD1 TRP 22 HD1 TRP 22 -2.773 -5.876 3.789 178 HE1 TRP 22 HE1 TRP 22 -4.898 -7.278 3.400 179 HE3 TRP 22 HE3 TRP 22 -6.243 -2.562 5.527 180 HZ2 TRP 22 HZ2 TRP 22 -7.685 -7.007 3.796 181 HZ3 TRP 22 HZ3 TRP 22 -8.614 -3.203 5.486 182 HH2 TRP 22 HH2 TRP 22 -9.320 -5.381 4.640 183 H ALA 23 H ALA 23 -0.449 -1.656 2.591 184 HA ALA 23 HA ALA 23 0.529 -0.045 4.728 185 HB1 ALA 23 HB1 ALA 23 1.384 -0.786 2.133 186 HB2 ALA 23 HB2 ALA 23 2.299 0.035 3.396 187 HB3 ALA 23 HB3 ALA 23 1.385 0.975 2.216 188 H THR 24 H THR 24 -0.107 1.927 5.369 189 HA THR 24 HA THR 24 -2.299 3.202 3.970 190 HB THR 24 HB THR 24 -0.841 4.084 6.468 191 HG1 THR 24 HG1 THR 24 -3.334 2.712 6.224 192 HG21 THR 24 HG21 THR 24 -3.332 5.030 5.084 193 HG22 THR 24 HG22 THR 24 -1.978 5.977 5.701 194 HG23 THR 24 HG23 THR 24 -3.126 5.244 6.822 195 H SER 25 H SER 25 -1.804 4.382 2.244 196 HA SER 25 HA SER 25 0.721 5.842 2.135 197 HB2 SER 25 HB2 SER 25 -0.018 6.266 -0.256 198 HB3 SER 25 HB3 SER 25 0.280 4.581 0.170 199 HG SER 25 HG SER 25 -2.280 5.279 0.690 200 H HIS 26 H HIS 26 0.862 8.033 2.172 201 HA HIS 26 HA HIS 26 -1.141 9.594 3.288 202 HB2 HIS 26 HB2 HIS 26 1.130 10.348 3.402 203 HB3 HIS 26 HB3 HIS 26 1.273 10.370 1.650 204 HD1 HIS 26 HD1 HIS 26 -0.605 12.169 0.523 205 HD2 HIS 26 HD2 HIS 26 0.742 12.823 4.401 206 HE1 HIS 26 HE1 HIS 26 -1.093 14.583 1.011 207 HE2 HIS 26 HE2 HIS 26 -0.395 14.918 3.405 208 H GLY 27 H GLY 27 -0.252 9.166 -0.116 209 HA2 GLY 27 HA2 GLY 27 -2.231 11.043 -1.026 210 HA3 GLY 27 HA3 GLY 27 -1.243 10.007 -2.032 211 H CYS 28 H CYS 28 -3.284 8.805 0.558 212 HA CYS 28 HA CYS 28 -5.426 8.120 -1.245 213 HB2 CYS 28 HB2 CYS 28 -3.626 5.999 -0.094 214 HB3 CYS 28 HB3 CYS 28 -5.259 5.656 -0.644 215 H LYS 29 H LYS 29 -7.305 7.754 -0.225 216 HA LYS 29 HA LYS 29 -7.641 8.706 2.394 217 HB2 LYS 29 HB2 LYS 29 -9.594 6.943 0.933 218 HB3 LYS 29 HB3 LYS 29 -9.947 8.201 2.101 219 HG2 LYS 29 HG2 LYS 29 -9.557 9.903 0.558 220 HG3 LYS 29 HG3 LYS 29 -8.671 8.837 -0.534 221 HD2 LYS 29 HD2 LYS 29 -10.760 7.580 -0.955 222 HD3 LYS 29 HD3 LYS 29 -11.626 8.729 0.070 223 HE2 LYS 29 HE2 LYS 29 -11.100 10.538 -1.436 224 HE3 LYS 29 HE3 LYS 29 -10.098 9.475 -2.420 225 HZ1 LYS 29 HZ1 LYS 29 -12.925 9.858 -2.466 226 HZ2 LYS 29 HZ2 LYS 29 -12.519 8.227 -2.316 227 HZ3 LYS 29 HZ3 LYS 29 -11.923 9.126 -3.610 228 H MET 30 H MET 30 -8.450 5.479 1.183 229 HA MET 30 HA MET 30 -8.412 4.346 3.814 230 HB2 MET 30 HB2 MET 30 -8.722 2.999 1.129 231 HB3 MET 30 HB3 MET 30 -9.042 2.266 2.694 232 HG2 MET 30 HG2 MET 30 -11.129 2.873 1.766 233 HG3 MET 30 HG3 MET 30 -10.786 4.014 3.062 234 HE1 MET 30 HE1 MET 30 -10.618 4.859 -1.447 235 HE2 MET 30 HE2 MET 30 -10.574 3.283 -0.657 236 HE3 MET 30 HE3 MET 30 -9.132 4.297 -0.682 237 H TYR 31 H TYR 31 -7.321 1.836 2.119 238 HA TYR 31 HA TYR 31 -4.551 2.234 3.019 239 HB2 TYR 31 HB2 TYR 31 -5.943 -0.358 2.313 240 HB3 TYR 31 HB3 TYR 31 -4.346 -0.186 3.025 241 HD1 TYR 31 HD1 TYR 31 -7.961 0.297 3.668 242 HD2 TYR 31 HD2 TYR 31 -4.075 -0.086 5.351 243 HE1 TYR 31 HE1 TYR 31 -8.960 0.041 5.896 244 HE2 TYR 31 HE2 TYR 31 -5.061 -0.350 7.582 245 HH TYR 31 HH TYR 31 -8.495 0.097 8.144 246 H CYS 32 H CYS 32 -2.859 1.346 1.724 247 HA CYS 32 HA CYS 32 -3.410 1.462 -1.159 248 HB2 CYS 32 HB2 CYS 32 -1.703 3.046 -0.536 249 HB3 CYS 32 HB3 CYS 32 -0.854 1.849 0.425 250 H CYS 33 H CYS 33 -3.232 -0.394 -2.279 251 HA CYS 33 HA CYS 33 -2.430 -2.778 -0.787 252 HB2 CYS 33 HB2 CYS 33 -3.910 -2.625 -3.418 253 HB3 CYS 33 HB3 CYS 33 -3.760 -4.021 -2.356 254 H LEU 34 H LEU 34 -0.701 -3.922 -1.316 255 HA LEU 34 HA LEU 34 0.538 -3.607 -3.936 256 HB2 LEU 34 HB2 LEU 34 1.966 -3.129 -1.324 257 HB3 LEU 34 HB3 LEU 34 2.755 -3.252 -2.880 258 HG LEU 34 HG LEU 34 0.662 -1.165 -2.326 259 HD11 LEU 34 HD11 LEU 34 2.257 0.347 -1.578 260 HD12 LEU 34 HD12 LEU 34 3.599 -0.639 -2.150 261 HD13 LEU 34 HD13 LEU 34 2.686 -1.137 -0.728 262 HD21 LEU 34 HD21 LEU 34 1.329 -1.781 -4.662 263 HD22 LEU 34 HD22 LEU 34 2.948 -1.205 -4.275 264 HD23 LEU 34 HD23 LEU 34 1.581 -0.090 -4.232 265 HA PRO 35 HA PRO 35 1.003 -7.989 -3.607 266 HB2 PRO 35 HB2 PRO 35 3.579 -7.586 -5.022 267 HB3 PRO 35 HB3 PRO 35 2.201 -8.595 -5.464 268 HG2 PRO 35 HG2 PRO 35 2.738 -6.293 -6.734 269 HG3 PRO 35 HG3 PRO 35 1.079 -6.860 -6.472 270 HD2 PRO 35 HD2 PRO 35 2.585 -4.694 -5.101 271 HD3 PRO 35 HD3 PRO 35 0.851 -4.823 -5.450 272 H ALA 36 H ALA 36 2.052 -9.432 -2.295 273 HA ALA 36 HA ALA 36 3.455 -8.593 -0.083 274 HB1 ALA 36 HB1 ALA 36 3.632 -11.300 -1.403 275 HB2 ALA 36 HB2 ALA 36 2.394 -10.785 -0.257 276 HB3 ALA 36 HB3 ALA 36 4.073 -10.930 0.264 277 H SER 37 H SER 37 4.685 -9.449 -3.238 278 HA SER 37 HA SER 37 7.411 -9.691 -2.592 279 HB2 SER 37 HB2 SER 37 6.461 -10.508 -4.702 280 HB3 SER 37 HB3 SER 37 6.121 -8.854 -5.201 281 HG SER 37 HG SER 37 8.383 -10.263 -5.470 282 H TRP 38 H TRP 38 5.381 -6.919 -3.127 283 HA TRP 38 HA TRP 38 7.143 -4.949 -3.848 284 HB2 TRP 38 HB2 TRP 38 4.766 -4.510 -3.621 285 HB3 TRP 38 HB3 TRP 38 4.858 -4.761 -1.881 286 HD1 TRP 38 HD1 TRP 38 6.470 -2.347 -4.470 287 HE1 TRP 38 HE1 TRP 38 6.664 -0.027 -3.364 288 HE3 TRP 38 HE3 TRP 38 4.641 -3.505 0.154 289 HZ2 TRP 38 HZ2 TRP 38 6.109 1.149 -0.854 290 HZ3 TRP 38 HZ3 TRP 38 4.506 -1.730 1.853 291 HH2 TRP 38 HH2 TRP 38 5.226 0.548 1.355 292 H LYS 39 H LYS 39 8.716 -3.790 -2.898 293 HA LYS 39 HA LYS 39 9.691 -4.684 -0.318 294 HB2 LYS 39 HB2 LYS 39 10.782 -2.931 -2.495 295 HB3 LYS 39 HB3 LYS 39 11.493 -2.873 -0.888 296 HG2 LYS 39 HG2 LYS 39 12.556 -4.422 -2.613 297 HG3 LYS 39 HG3 LYS 39 12.239 -5.076 -1.007 298 HD2 LYS 39 HD2 LYS 39 10.210 -6.135 -1.811 299 HD3 LYS 39 HD3 LYS 39 10.448 -5.428 -3.409 300 HE2 LYS 39 HE2 LYS 39 11.158 -7.755 -3.382 301 HE3 LYS 39 HE3 LYS 39 12.537 -6.690 -3.648 302 HZ1 LYS 39 HZ1 LYS 39 13.087 -8.404 -2.070 303 HZ2 LYS 39 HZ2 LYS 39 11.784 -7.976 -1.083 304 HZ3 LYS 39 HZ3 LYS 39 13.071 -6.908 -1.286 305 H TRP 40 H TRP 40 9.233 -3.749 1.512 306 HA TRP 40 HA TRP 40 7.743 -1.282 1.537 307 HB2 TRP 40 HB2 TRP 40 7.022 -3.107 2.980 308 HB3 TRP 40 HB3 TRP 40 8.585 -3.120 3.786 309 HD1 TRP 40 HD1 TRP 40 7.136 -2.750 6.072 310 HE1 TRP 40 HE1 TRP 40 6.321 -0.579 7.181 311 HE3 TRP 40 HE3 TRP 40 7.519 0.425 2.064 312 HZ2 TRP 40 HZ2 TRP 40 5.888 2.104 6.457 313 HZ3 TRP 40 HZ3 TRP 40 6.887 2.775 2.369 314 HH2 TRP 40 HH2 TRP 40 6.091 3.598 4.522 315 H LYS 41 H LYS 41 9.400 -1.313 4.388 316 HA LYS 41 HA LYS 41 11.424 0.561 3.357 317 HB2 LYS 41 HB2 LYS 41 11.268 1.757 5.477 318 HB3 LYS 41 HB3 LYS 41 9.697 1.678 4.698 319 HG2 LYS 41 HG2 LYS 41 9.144 -0.249 6.193 320 HG3 LYS 41 HG3 LYS 41 10.655 0.061 7.049 321 HD2 LYS 41 HD2 LYS 41 8.400 2.040 6.708 322 HD3 LYS 41 HD3 LYS 41 8.716 1.098 8.163 323 HE2 LYS 41 HE2 LYS 41 10.840 2.194 8.467 324 HE3 LYS 41 HE3 LYS 41 10.668 3.040 6.931 325 HZ1 LYS 41 HZ1 LYS 41 8.833 3.383 9.236 326 HZ2 LYS 41 HZ2 LYS 41 8.839 4.277 7.801 327 HZ3 LYS 41 HZ3 LYS 41 10.125 4.412 8.887 Start of MODEL 4 1 H1 LEU 1 H1 LEU 1 4.483 1.751 8.987 2 H2 LEU 1 H2 LEU 1 3.945 0.186 9.299 3 H3 LEU 1 H3 LEU 1 2.845 1.465 9.283 4 HA LEU 1 HA LEU 1 4.431 0.683 6.922 5 HB2 LEU 1 HB2 LEU 1 3.024 -1.180 7.776 6 HB3 LEU 1 HB3 LEU 1 1.618 -0.145 7.658 7 HG LEU 1 HG LEU 1 1.950 -0.011 5.211 8 HD11 LEU 1 HD11 LEU 1 3.474 -1.736 4.199 9 HD12 LEU 1 HD12 LEU 1 4.207 -1.899 5.795 10 HD13 LEU 1 HD13 LEU 1 4.268 -0.353 4.950 11 HD21 LEU 1 HD21 LEU 1 0.511 -1.745 6.352 12 HD22 LEU 1 HD22 LEU 1 1.838 -2.879 6.109 13 HD23 LEU 1 HD23 LEU 1 1.043 -2.139 4.719 14 H VAL 2 H VAL 2 4.306 3.250 7.492 15 HA VAL 2 HA VAL 2 1.975 4.407 6.144 16 HB VAL 2 HB VAL 2 4.153 5.751 7.753 17 HG11 VAL 2 HG11 VAL 2 1.691 6.866 6.419 18 HG12 VAL 2 HG12 VAL 2 3.372 7.295 6.105 19 HG13 VAL 2 HG13 VAL 2 2.624 7.728 7.641 20 HG21 VAL 2 HG21 VAL 2 2.283 6.165 9.360 21 HG22 VAL 2 HG22 VAL 2 2.748 4.472 9.203 22 HG23 VAL 2 HG23 VAL 2 1.291 5.064 8.404 23 H LEU 3 H LEU 3 2.171 5.614 4.303 24 HA LEU 3 HA LEU 3 4.832 5.745 3.039 25 HB2 LEU 3 HB2 LEU 3 2.219 5.201 1.640 26 HB3 LEU 3 HB3 LEU 3 3.800 5.248 0.904 27 HG LEU 3 HG LEU 3 2.982 3.209 2.966 28 HD11 LEU 3 HD11 LEU 3 2.819 1.678 1.011 29 HD12 LEU 3 HD12 LEU 3 2.942 3.086 -0.042 30 HD13 LEU 3 HD13 LEU 3 1.570 2.925 1.055 31 HD21 LEU 3 HD21 LEU 3 5.265 3.221 1.000 32 HD22 LEU 3 HD22 LEU 3 4.949 2.032 2.263 33 HD23 LEU 3 HD23 LEU 3 5.410 3.679 2.696 34 H LYS 4 H LYS 4 5.072 7.411 1.444 35 HA LYS 4 HA LYS 4 3.975 9.924 2.191 36 HB2 LYS 4 HB2 LYS 4 5.340 9.222 -0.371 37 HB3 LYS 4 HB3 LYS 4 5.184 10.820 0.311 38 HG2 LYS 4 HG2 LYS 4 6.745 8.584 1.566 39 HG3 LYS 4 HG3 LYS 4 7.437 9.820 0.519 40 HD2 LYS 4 HD2 LYS 4 6.528 11.533 2.124 41 HD3 LYS 4 HD3 LYS 4 6.145 10.194 3.211 42 HE2 LYS 4 HE2 LYS 4 8.877 10.855 2.124 43 HE3 LYS 4 HE3 LYS 4 8.306 11.226 3.752 44 HZ1 LYS 4 HZ1 LYS 4 8.497 8.490 2.626 45 HZ2 LYS 4 HZ2 LYS 4 8.111 8.900 4.218 46 HZ3 LYS 4 HZ3 LYS 4 9.663 9.191 3.624 47 H TYR 5 H TYR 5 3.456 7.637 -0.369 48 HA TYR 5 HA TYR 5 0.776 8.527 -0.865 49 HB2 TYR 5 HB2 TYR 5 1.305 8.931 -3.339 50 HB3 TYR 5 HB3 TYR 5 1.787 10.199 -2.215 51 HD1 TYR 5 HD1 TYR 5 3.068 7.296 -4.145 52 HD2 TYR 5 HD2 TYR 5 4.038 10.863 -2.036 53 HE1 TYR 5 HE1 TYR 5 5.386 7.134 -4.945 54 HE2 TYR 5 HE2 TYR 5 6.360 10.711 -2.827 55 HH TYR 5 HH TYR 5 7.493 7.912 -4.656 56 H CYS 6 H CYS 6 -0.276 7.107 -2.459 57 HA CYS 6 HA CYS 6 0.518 4.411 -2.062 58 HB2 CYS 6 HB2 CYS 6 -1.851 5.221 -2.294 59 HB3 CYS 6 HB3 CYS 6 -1.542 5.470 -4.007 60 HA PRO 7 HA PRO 7 3.530 4.379 -5.396 61 HB2 PRO 7 HB2 PRO 7 3.201 1.448 -4.968 62 HB3 PRO 7 HB3 PRO 7 4.679 2.413 -5.052 63 HG2 PRO 7 HG2 PRO 7 3.777 1.527 -2.712 64 HG3 PRO 7 HG3 PRO 7 4.481 3.149 -2.860 65 HD2 PRO 7 HD2 PRO 7 1.614 2.337 -2.643 66 HD3 PRO 7 HD3 PRO 7 2.445 3.745 -1.952 67 H LYS 8 H LYS 8 3.174 4.376 -7.516 68 HA LYS 8 HA LYS 8 0.790 4.065 -8.750 69 HB2 LYS 8 HB2 LYS 8 2.747 5.052 -9.820 70 HB3 LYS 8 HB3 LYS 8 3.508 3.472 -9.924 71 HG2 LYS 8 HG2 LYS 8 1.922 2.726 -11.532 72 HG3 LYS 8 HG3 LYS 8 0.914 4.152 -11.287 73 HD2 LYS 8 HD2 LYS 8 2.218 4.333 -13.349 74 HD3 LYS 8 HD3 LYS 8 2.690 5.570 -12.184 75 HE2 LYS 8 HE2 LYS 8 4.583 4.082 -11.501 76 HE3 LYS 8 HE3 LYS 8 4.154 3.017 -12.836 77 HZ1 LYS 8 HZ1 LYS 8 5.198 5.776 -12.952 78 HZ2 LYS 8 HZ2 LYS 8 4.408 5.078 -14.272 79 HZ3 LYS 8 HZ3 LYS 8 5.823 4.383 -13.669 80 H ILE 9 H ILE 9 3.188 1.522 -8.237 81 HA ILE 9 HA ILE 9 1.898 -0.499 -9.703 82 HB ILE 9 HB ILE 9 4.211 -0.734 -8.958 83 HG12 ILE 9 HG12 ILE 9 2.393 -2.857 -7.793 84 HG13 ILE 9 HG13 ILE 9 2.937 -2.771 -9.465 85 HG21 ILE 9 HG21 ILE 9 3.340 -1.354 -6.174 86 HG22 ILE 9 HG22 ILE 9 3.592 0.324 -6.649 87 HG23 ILE 9 HG23 ILE 9 4.915 -0.834 -6.772 88 HD11 ILE 9 HD11 ILE 9 4.511 -4.198 -8.783 89 HD12 ILE 9 HD12 ILE 9 4.303 -3.775 -7.085 90 HD13 ILE 9 HD13 ILE 9 5.302 -2.765 -8.130 91 H GLY 10 H GLY 10 1.599 0.525 -6.348 92 HA2 GLY 10 HA2 GLY 10 -0.222 -1.574 -5.643 93 HA3 GLY 10 HA3 GLY 10 0.211 -0.189 -4.658 94 H TYR 11 H TYR 11 -2.366 -1.510 -5.331 95 HA TYR 11 HA TYR 11 -3.806 0.800 -6.440 96 HB2 TYR 11 HB2 TYR 11 -5.644 -1.278 -6.241 97 HB3 TYR 11 HB3 TYR 11 -4.834 -0.745 -7.708 98 HD1 TYR 11 HD1 TYR 11 -3.768 -2.743 -4.752 99 HD2 TYR 11 HD2 TYR 11 -4.142 -2.538 -8.969 100 HE1 TYR 11 HE1 TYR 11 -2.670 -4.939 -4.942 101 HE2 TYR 11 HE2 TYR 11 -3.055 -4.732 -9.185 102 HH TYR 11 HH TYR 11 -1.569 -6.167 -7.949 103 H CYS 12 H CYS 12 -5.138 1.886 -5.162 104 HA CYS 12 HA CYS 12 -5.212 1.149 -2.349 105 HB2 CYS 12 HB2 CYS 12 -4.470 3.364 -2.777 106 HB3 CYS 12 HB3 CYS 12 -5.822 3.684 -3.852 107 H SER 13 H SER 13 -6.989 0.645 -1.214 108 HA SER 13 HA SER 13 -9.639 1.086 -2.292 109 HB2 SER 13 HB2 SER 13 -8.684 -1.729 -1.720 110 HB3 SER 13 HB3 SER 13 -10.282 -1.251 -2.293 111 HG SER 13 HG SER 13 -8.908 -0.239 -4.096 112 H ASN 14 H ASN 14 -11.319 0.135 -0.718 113 HA ASN 14 HA ASN 14 -10.926 1.245 1.813 114 HB2 ASN 14 HB2 ASN 14 -13.044 0.295 2.438 115 HB3 ASN 14 HB3 ASN 14 -13.154 0.809 0.760 116 HD21 ASN 14 HD21 ASN 14 -14.147 -0.578 -0.516 117 HD22 ASN 14 HD22 ASN 14 -14.204 -2.294 -0.307 118 H THR 15 H THR 15 -10.335 -1.970 0.608 119 HA THR 15 HA THR 15 -8.791 -2.584 2.972 120 HB THR 15 HB THR 15 -9.866 -4.827 3.261 121 HG1 THR 15 HG1 THR 15 -11.790 -3.662 1.517 122 HG21 THR 15 HG21 THR 15 -10.374 -2.713 4.639 123 HG22 THR 15 HG22 THR 15 -11.492 -4.069 4.762 124 HG23 THR 15 HG23 THR 15 -11.902 -2.677 3.762 125 H CYS 16 H CYS 16 -7.278 -4.265 2.612 126 HA CYS 16 HA CYS 16 -6.871 -4.838 -0.240 127 HB2 CYS 16 HB2 CYS 16 -4.843 -4.823 1.996 128 HB3 CYS 16 HB3 CYS 16 -4.505 -5.003 0.280 129 H SER 17 H SER 17 -6.634 -6.851 -0.966 130 HA SER 17 HA SER 17 -7.543 -9.056 0.501 131 HB2 SER 17 HB2 SER 17 -5.760 -9.146 -1.948 132 HB3 SER 17 HB3 SER 17 -6.926 -10.363 -1.428 133 HG SER 17 HG SER 17 -8.591 -8.881 -1.860 134 H LYS 18 H LYS 18 -6.409 -10.777 1.482 135 HA LYS 18 HA LYS 18 -4.236 -10.254 3.028 136 HB2 LYS 18 HB2 LYS 18 -4.924 -12.913 1.763 137 HB3 LYS 18 HB3 LYS 18 -3.813 -12.701 3.107 138 HG2 LYS 18 HG2 LYS 18 -5.628 -11.834 4.483 139 HG3 LYS 18 HG3 LYS 18 -6.745 -12.019 3.132 140 HD2 LYS 18 HD2 LYS 18 -6.940 -13.885 4.696 141 HD3 LYS 18 HD3 LYS 18 -6.354 -14.429 3.125 142 HE2 LYS 18 HE2 LYS 18 -5.144 -15.472 4.997 143 HE3 LYS 18 HE3 LYS 18 -4.087 -14.520 3.961 144 HZ1 LYS 18 HZ1 LYS 18 -5.120 -12.916 6.050 145 HZ2 LYS 18 HZ2 LYS 18 -3.511 -13.274 5.678 146 HZ3 LYS 18 HZ3 LYS 18 -4.390 -14.296 6.694 147 H THR 19 H THR 19 -4.206 -11.471 -0.275 148 HA THR 19 HA THR 19 -1.366 -11.754 -0.417 149 HB THR 19 HB THR 19 -2.924 -13.066 -1.834 150 HG1 THR 19 HG1 THR 19 -0.922 -11.447 -3.022 151 HG21 THR 19 HG21 THR 19 -4.261 -12.167 -3.481 152 HG22 THR 19 HG22 THR 19 -3.285 -10.705 -3.627 153 HG23 THR 19 HG23 THR 19 -4.365 -10.911 -2.249 154 H GLN 20 H GLN 20 -2.402 -9.111 0.428 155 HA GLN 20 HA GLN 20 -0.740 -7.501 -1.303 156 HB2 GLN 20 HB2 GLN 20 -3.664 -6.816 -0.910 157 HB3 GLN 20 HB3 GLN 20 -2.472 -5.790 -1.696 158 HG2 GLN 20 HG2 GLN 20 -2.169 -7.478 -3.440 159 HG3 GLN 20 HG3 GLN 20 -3.365 -8.503 -2.653 160 HE21 GLN 20 HE21 GLN 20 -4.468 -5.495 -2.160 161 HE22 GLN 20 HE22 GLN 20 -5.479 -5.305 -3.544 162 H ILE 21 H ILE 21 0.248 -5.913 -0.194 163 HA ILE 21 HA ILE 21 0.018 -5.874 2.647 164 HB ILE 21 HB ILE 21 1.584 -4.068 0.797 165 HG12 ILE 21 HG12 ILE 21 2.479 -6.466 2.414 166 HG13 ILE 21 HG13 ILE 21 2.167 -6.485 0.683 167 HG21 ILE 21 HG21 ILE 21 1.941 -2.803 2.599 168 HG22 ILE 21 HG22 ILE 21 2.870 -4.148 3.257 169 HG23 ILE 21 HG23 ILE 21 1.165 -3.973 3.663 170 HD11 ILE 21 HD11 ILE 21 4.140 -5.558 0.197 171 HD12 ILE 21 HD12 ILE 21 4.590 -6.099 1.814 172 HD13 ILE 21 HD13 ILE 21 4.068 -4.434 1.554 173 H TRP 22 H TRP 22 -1.223 -4.639 3.894 174 HA TRP 22 HA TRP 22 -2.992 -2.663 2.772 175 HB2 TRP 22 HB2 TRP 22 -2.498 -3.586 5.613 176 HB3 TRP 22 HB3 TRP 22 -3.692 -2.368 5.184 177 HD1 TRP 22 HD1 TRP 22 -2.973 -5.918 3.739 178 HE1 TRP 22 HE1 TRP 22 -5.223 -7.175 3.632 179 HE3 TRP 22 HE3 TRP 22 -6.007 -2.311 5.702 180 HZ2 TRP 22 HZ2 TRP 22 -7.922 -6.693 4.307 181 HZ3 TRP 22 HZ3 TRP 22 -8.406 -2.781 5.937 182 HH2 TRP 22 HH2 TRP 22 -9.343 -4.931 5.258 183 H ALA 23 H ALA 23 -0.781 -1.607 2.062 184 HA ALA 23 HA ALA 23 0.595 -0.098 4.031 185 HB1 ALA 23 HB1 ALA 23 1.215 -0.889 1.546 186 HB2 ALA 23 HB2 ALA 23 2.043 0.416 2.393 187 HB3 ALA 23 HB3 ALA 23 0.768 0.787 1.232 188 H THR 24 H THR 24 0.157 1.819 4.885 189 HA THR 24 HA THR 24 -2.151 3.310 3.925 190 HB THR 24 HB THR 24 -0.306 3.798 6.284 191 HG1 THR 24 HG1 THR 24 -1.664 1.971 6.534 192 HG21 THR 24 HG21 THR 24 -2.278 5.504 5.020 193 HG22 THR 24 HG22 THR 24 -1.144 5.870 6.319 194 HG23 THR 24 HG23 THR 24 -2.709 5.153 6.691 195 H SER 25 H SER 25 -1.975 5.153 2.688 196 HA SER 25 HA SER 25 0.725 6.269 2.374 197 HB2 SER 25 HB2 SER 25 0.242 6.561 -0.044 198 HB3 SER 25 HB3 SER 25 0.331 4.875 0.452 199 HG SER 25 HG SER 25 -2.099 5.203 0.702 200 H HIS 26 H HIS 26 0.909 8.412 2.320 201 HA HIS 26 HA HIS 26 -1.345 10.037 3.010 202 HB2 HIS 26 HB2 HIS 26 1.590 10.534 2.626 203 HB3 HIS 26 HB3 HIS 26 0.483 11.895 2.737 204 HD1 HIS 26 HD1 HIS 26 1.183 8.744 4.763 205 HD2 HIS 26 HD2 HIS 26 0.194 12.745 5.276 206 HE1 HIS 26 HE1 HIS 26 1.122 9.111 7.250 207 HE2 HIS 26 HE2 HIS 26 0.625 11.562 7.532 208 H GLY 27 H GLY 27 -2.148 9.055 0.749 209 HA2 GLY 27 HA2 GLY 27 -2.188 11.345 -1.027 210 HA3 GLY 27 HA3 GLY 27 -1.481 9.889 -1.707 211 H CYS 28 H CYS 28 -3.273 8.080 -0.291 212 HA CYS 28 HA CYS 28 -5.717 8.635 -1.832 213 HB2 CYS 28 HB2 CYS 28 -4.497 6.681 -2.658 214 HB3 CYS 28 HB3 CYS 28 -4.552 5.958 -1.052 215 H LYS 29 H LYS 29 -7.686 8.307 -0.933 216 HA LYS 29 HA LYS 29 -8.098 8.901 1.718 217 HB2 LYS 29 HB2 LYS 29 -10.414 7.675 1.155 218 HB3 LYS 29 HB3 LYS 29 -9.999 9.268 0.543 219 HG2 LYS 29 HG2 LYS 29 -9.454 8.433 -1.585 220 HG3 LYS 29 HG3 LYS 29 -9.396 6.773 -1.006 221 HD2 LYS 29 HD2 LYS 29 -11.716 6.604 -0.876 222 HD3 LYS 29 HD3 LYS 29 -11.937 8.357 -0.866 223 HE2 LYS 29 HE2 LYS 29 -12.622 7.468 -3.004 224 HE3 LYS 29 HE3 LYS 29 -11.161 8.429 -3.212 225 HZ1 LYS 29 HZ1 LYS 29 -11.520 5.935 -4.155 226 HZ2 LYS 29 HZ2 LYS 29 -10.672 5.632 -2.728 227 HZ3 LYS 29 HZ3 LYS 29 -10.015 6.654 -3.899 228 H MET 30 H MET 30 -8.786 5.693 0.298 229 HA MET 30 HA MET 30 -8.905 4.511 2.909 230 HB2 MET 30 HB2 MET 30 -8.915 3.138 0.218 231 HB3 MET 30 HB3 MET 30 -9.423 2.448 1.752 232 HG2 MET 30 HG2 MET 30 -10.751 4.719 0.297 233 HG3 MET 30 HG3 MET 30 -11.340 3.063 0.428 234 HE1 MET 30 HE1 MET 30 -13.729 4.060 1.312 235 HE2 MET 30 HE2 MET 30 -13.014 5.656 1.082 236 HE3 MET 30 HE3 MET 30 -13.810 5.259 2.604 237 H TYR 31 H TYR 31 -7.713 1.949 1.944 238 HA TYR 31 HA TYR 31 -4.993 2.514 2.786 239 HB2 TYR 31 HB2 TYR 31 -6.342 -0.132 2.198 240 HB3 TYR 31 HB3 TYR 31 -4.745 0.070 2.898 241 HD1 TYR 31 HD1 TYR 31 -8.301 1.034 3.559 242 HD2 TYR 31 HD2 TYR 31 -4.530 -0.092 5.176 243 HE1 TYR 31 HE1 TYR 31 -9.298 0.932 5.804 244 HE2 TYR 31 HE2 TYR 31 -5.516 -0.191 7.423 245 HH TYR 31 HH TYR 31 -7.914 -0.609 8.349 246 H CYS 32 H CYS 32 -3.168 1.757 1.633 247 HA CYS 32 HA CYS 32 -3.589 1.615 -1.268 248 HB2 CYS 32 HB2 CYS 32 -2.042 3.386 -0.534 249 HB3 CYS 32 HB3 CYS 32 -1.058 2.193 0.300 250 H CYS 33 H CYS 33 -3.457 -0.340 -2.146 251 HA CYS 33 HA CYS 33 -2.272 -2.478 -0.545 252 HB2 CYS 33 HB2 CYS 33 -3.972 -2.848 -2.992 253 HB3 CYS 33 HB3 CYS 33 -3.669 -3.981 -1.689 254 H LEU 34 H LEU 34 -0.525 -3.513 -1.151 255 HA LEU 34 HA LEU 34 0.528 -3.069 -3.861 256 HB2 LEU 34 HB2 LEU 34 2.038 -3.179 -1.251 257 HB3 LEU 34 HB3 LEU 34 2.794 -3.138 -2.828 258 HG LEU 34 HG LEU 34 0.900 -0.954 -2.058 259 HD11 LEU 34 HD11 LEU 34 2.899 -1.508 -0.344 260 HD12 LEU 34 HD12 LEU 34 2.333 0.126 -0.690 261 HD13 LEU 34 HD13 LEU 34 3.761 -0.503 -1.509 262 HD21 LEU 34 HD21 LEU 34 1.977 0.248 -3.706 263 HD22 LEU 34 HD22 LEU 34 2.007 -1.388 -4.359 264 HD23 LEU 34 HD23 LEU 34 3.447 -0.721 -3.596 265 HA PRO 35 HA PRO 35 0.572 -7.467 -4.284 266 HB2 PRO 35 HB2 PRO 35 3.136 -7.095 -5.728 267 HB3 PRO 35 HB3 PRO 35 1.639 -7.858 -6.272 268 HG2 PRO 35 HG2 PRO 35 2.391 -5.449 -7.170 269 HG3 PRO 35 HG3 PRO 35 0.686 -5.855 -6.899 270 HD2 PRO 35 HD2 PRO 35 2.527 -4.181 -5.254 271 HD3 PRO 35 HD3 PRO 35 0.788 -3.991 -5.557 272 H ALA 36 H ALA 36 1.475 -9.181 -3.214 273 HA ALA 36 HA ALA 36 3.023 -8.824 -0.977 274 HB1 ALA 36 HB1 ALA 36 3.344 -11.216 -0.935 275 HB2 ALA 36 HB2 ALA 36 2.943 -11.332 -2.649 276 HB3 ALA 36 HB3 ALA 36 1.709 -10.850 -1.484 277 H SER 37 H SER 37 4.074 -9.367 -4.271 278 HA SER 37 HA SER 37 6.779 -9.954 -3.751 279 HB2 SER 37 HB2 SER 37 5.624 -8.620 -6.209 280 HB3 SER 37 HB3 SER 37 7.140 -9.514 -6.105 281 HG SER 37 HG SER 37 5.733 -11.333 -5.399 282 H TRP 38 H TRP 38 5.019 -6.964 -3.888 283 HA TRP 38 HA TRP 38 7.019 -5.118 -4.386 284 HB2 TRP 38 HB2 TRP 38 4.601 -4.579 -4.155 285 HB3 TRP 38 HB3 TRP 38 4.743 -4.811 -2.416 286 HD1 TRP 38 HD1 TRP 38 6.219 -2.509 -5.169 287 HE1 TRP 38 HE1 TRP 38 6.711 -0.216 -4.100 288 HE3 TRP 38 HE3 TRP 38 4.998 -3.586 -0.323 289 HZ2 TRP 38 HZ2 TRP 38 6.597 0.973 -1.551 290 HZ3 TRP 38 HZ3 TRP 38 5.216 -1.813 1.369 291 HH2 TRP 38 HH2 TRP 38 5.998 0.420 0.764 292 H LYS 39 H LYS 39 8.763 -4.442 -3.299 293 HA LYS 39 HA LYS 39 9.347 -5.647 -0.724 294 HB2 LYS 39 HB2 LYS 39 11.007 -3.844 -2.496 295 HB3 LYS 39 HB3 LYS 39 11.575 -4.597 -1.012 296 HG2 LYS 39 HG2 LYS 39 10.621 -6.081 -3.453 297 HG3 LYS 39 HG3 LYS 39 12.309 -5.791 -3.027 298 HD2 LYS 39 HD2 LYS 39 12.028 -7.066 -0.970 299 HD3 LYS 39 HD3 LYS 39 10.321 -7.314 -1.341 300 HE2 LYS 39 HE2 LYS 39 12.615 -8.278 -3.043 301 HE3 LYS 39 HE3 LYS 39 11.734 -9.271 -1.886 302 HZ1 LYS 39 HZ1 LYS 39 10.869 -8.242 -4.486 303 HZ2 LYS 39 HZ2 LYS 39 9.700 -8.445 -3.281 304 HZ3 LYS 39 HZ3 LYS 39 10.623 -9.761 -3.793 305 H TRP 40 H TRP 40 8.844 -4.723 1.106 306 HA TRP 40 HA TRP 40 8.070 -1.946 1.158 307 HB2 TRP 40 HB2 TRP 40 6.671 -3.584 2.308 308 HB3 TRP 40 HB3 TRP 40 8.027 -4.050 3.326 309 HD1 TRP 40 HD1 TRP 40 6.592 -3.405 5.488 310 HE1 TRP 40 HE1 TRP 40 6.111 -1.146 6.611 311 HE3 TRP 40 HE3 TRP 40 7.913 -0.263 1.646 312 HZ2 TRP 40 HZ2 TRP 40 6.262 1.580 5.972 313 HZ3 TRP 40 HZ3 TRP 40 7.717 2.157 2.008 314 HH2 TRP 40 HH2 TRP 40 6.911 3.062 4.126 315 H LYS 41 H LYS 41 9.152 -2.530 4.194 316 HA LYS 41 HA LYS 41 11.862 -1.522 3.658 317 HB2 LYS 41 HB2 LYS 41 11.648 0.034 5.507 318 HB3 LYS 41 HB3 LYS 41 10.351 0.324 4.355 319 HG2 LYS 41 HG2 LYS 41 8.849 -1.033 5.796 320 HG3 LYS 41 HG3 LYS 41 10.150 -1.130 6.979 321 HD2 LYS 41 HD2 LYS 41 9.014 1.460 5.958 322 HD3 LYS 41 HD3 LYS 41 8.446 0.653 7.419 323 HE2 LYS 41 HE2 LYS 41 11.251 1.637 6.900 324 HE3 LYS 41 HE3 LYS 41 10.061 2.400 7.952 325 HZ1 LYS 41 HZ1 LYS 41 11.518 -0.125 8.352 326 HZ2 LYS 41 HZ2 LYS 41 10.055 0.151 9.148 327 HZ3 LYS 41 HZ3 LYS 41 11.364 1.187 9.398 Start of MODEL 5 1 H1 LEU 1 H1 LEU 1 5.226 2.020 8.905 2 H2 LEU 1 H2 LEU 1 3.802 1.296 9.445 3 H3 LEU 1 H3 LEU 1 3.786 2.903 8.930 4 HA LEU 1 HA LEU 1 4.826 1.235 6.901 5 HB2 LEU 1 HB2 LEU 1 3.442 -0.435 8.097 6 HB3 LEU 1 HB3 LEU 1 2.049 0.609 7.921 7 HG LEU 1 HG LEU 1 2.160 0.332 5.473 8 HD11 LEU 1 HD11 LEU 1 4.377 -0.060 4.935 9 HD12 LEU 1 HD12 LEU 1 3.629 -1.641 4.712 10 HD13 LEU 1 HD13 LEU 1 4.563 -1.306 6.169 11 HD21 LEU 1 HD21 LEU 1 0.740 -1.142 6.771 12 HD22 LEU 1 HD22 LEU 1 2.094 -2.239 7.042 13 HD23 LEU 1 HD23 LEU 1 1.450 -2.017 5.415 14 H VAL 2 H VAL 2 4.566 3.980 7.291 15 HA VAL 2 HA VAL 2 2.231 4.788 5.735 16 HB VAL 2 HB VAL 2 2.969 7.119 6.234 17 HG11 VAL 2 HG11 VAL 2 2.226 5.155 8.361 18 HG12 VAL 2 HG12 VAL 2 1.242 6.402 7.597 19 HG13 VAL 2 HG13 VAL 2 2.478 6.850 8.773 20 HG21 VAL 2 HG21 VAL 2 4.596 7.370 8.095 21 HG22 VAL 2 HG22 VAL 2 5.301 6.763 6.600 22 HG23 VAL 2 HG23 VAL 2 4.971 5.655 7.928 23 H LEU 3 H LEU 3 2.308 5.324 3.702 24 HA LEU 3 HA LEU 3 4.856 5.366 2.279 25 HB2 LEU 3 HB2 LEU 3 1.983 4.984 1.492 26 HB3 LEU 3 HB3 LEU 3 3.186 5.374 0.290 27 HG LEU 3 HG LEU 3 4.330 3.310 0.630 28 HD11 LEU 3 HD11 LEU 3 2.443 2.697 2.898 29 HD12 LEU 3 HD12 LEU 3 4.096 3.271 3.110 30 HD13 LEU 3 HD13 LEU 3 3.797 1.718 2.331 31 HD21 LEU 3 HD21 LEU 3 1.351 3.140 0.449 32 HD22 LEU 3 HD22 LEU 3 2.334 1.674 0.408 33 HD23 LEU 3 HD23 LEU 3 2.564 2.923 -0.814 34 H LYS 4 H LYS 4 5.547 7.155 1.143 35 HA LYS 4 HA LYS 4 4.623 9.707 1.887 36 HB2 LYS 4 HB2 LYS 4 6.232 8.849 -0.529 37 HB3 LYS 4 HB3 LYS 4 5.940 10.522 -0.093 38 HG2 LYS 4 HG2 LYS 4 8.132 9.870 0.623 39 HG3 LYS 4 HG3 LYS 4 7.115 10.148 2.037 40 HD2 LYS 4 HD2 LYS 4 6.916 7.866 2.488 41 HD3 LYS 4 HD3 LYS 4 7.449 7.407 0.870 42 HE2 LYS 4 HE2 LYS 4 9.212 6.964 2.467 43 HE3 LYS 4 HE3 LYS 4 9.694 8.267 1.386 44 HZ1 LYS 4 HZ1 LYS 4 10.304 9.016 3.475 45 HZ2 LYS 4 HZ2 LYS 4 8.912 8.421 4.224 46 HZ3 LYS 4 HZ3 LYS 4 8.820 9.783 3.232 47 H TYR 5 H TYR 5 3.953 7.531 -0.689 48 HA TYR 5 HA TYR 5 1.408 8.653 -1.290 49 HB2 TYR 5 HB2 TYR 5 1.896 9.157 -3.672 50 HB3 TYR 5 HB3 TYR 5 2.779 10.220 -2.582 51 HD1 TYR 5 HD1 TYR 5 3.076 7.400 -4.925 52 HD2 TYR 5 HD2 TYR 5 5.181 10.128 -2.430 53 HE1 TYR 5 HE1 TYR 5 5.189 6.737 -5.993 54 HE2 TYR 5 HE2 TYR 5 7.299 9.476 -3.492 55 HH TYR 5 HH TYR 5 8.228 8.372 -5.218 56 H CYS 6 H CYS 6 0.206 7.243 -2.634 57 HA CYS 6 HA CYS 6 0.997 4.520 -2.393 58 HB2 CYS 6 HB2 CYS 6 -1.370 5.424 -2.259 59 HB3 CYS 6 HB3 CYS 6 -1.317 5.593 -4.010 60 HA PRO 7 HA PRO 7 3.374 4.510 -6.219 61 HB2 PRO 7 HB2 PRO 7 3.263 1.580 -5.761 62 HB3 PRO 7 HB3 PRO 7 4.666 2.625 -6.003 63 HG2 PRO 7 HG2 PRO 7 4.095 1.627 -3.592 64 HG3 PRO 7 HG3 PRO 7 4.743 3.264 -3.777 65 HD2 PRO 7 HD2 PRO 7 1.936 2.385 -3.236 66 HD3 PRO 7 HD3 PRO 7 2.833 3.773 -2.585 67 H LYS 8 H LYS 8 2.835 4.028 -8.364 68 HA LYS 8 HA LYS 8 0.225 3.890 -9.102 69 HB2 LYS 8 HB2 LYS 8 2.097 4.367 -10.653 70 HB3 LYS 8 HB3 LYS 8 2.487 2.651 -10.678 71 HG2 LYS 8 HG2 LYS 8 0.234 2.191 -11.583 72 HG3 LYS 8 HG3 LYS 8 -0.064 3.926 -11.642 73 HD2 LYS 8 HD2 LYS 8 1.819 4.193 -13.188 74 HD3 LYS 8 HD3 LYS 8 2.106 2.452 -13.131 75 HE2 LYS 8 HE2 LYS 8 -0.158 2.073 -14.020 76 HE3 LYS 8 HE3 LYS 8 -0.391 3.815 -14.126 77 HZ1 LYS 8 HZ1 LYS 8 0.513 3.737 -16.123 78 HZ2 LYS 8 HZ2 LYS 8 0.854 2.088 -15.969 79 HZ3 LYS 8 HZ3 LYS 8 1.974 3.238 -15.444 80 H ILE 9 H ILE 9 2.376 1.084 -8.694 81 HA ILE 9 HA ILE 9 0.485 -0.859 -9.465 82 HB ILE 9 HB ILE 9 2.887 -1.372 -9.293 83 HG12 ILE 9 HG12 ILE 9 1.217 -3.091 -7.441 84 HG13 ILE 9 HG13 ILE 9 1.183 -3.185 -9.197 85 HG21 ILE 9 HG21 ILE 9 2.599 -1.542 -6.317 86 HG22 ILE 9 HG22 ILE 9 3.095 -0.041 -7.097 87 HG23 ILE 9 HG23 ILE 9 4.068 -1.500 -7.292 88 HD11 ILE 9 HD11 ILE 9 3.475 -3.849 -7.372 89 HD12 ILE 9 HD12 ILE 9 3.611 -3.756 -9.128 90 HD13 ILE 9 HD13 ILE 9 2.547 -4.950 -8.387 91 H GLY 10 H GLY 10 1.107 0.769 -6.439 92 HA2 GLY 10 HA2 GLY 10 -0.369 -0.923 -4.748 93 HA3 GLY 10 HA3 GLY 10 -0.004 0.766 -4.435 94 H TYR 11 H TYR 11 -2.438 -1.334 -4.678 95 HA TYR 11 HA TYR 11 -4.298 0.360 -6.124 96 HB2 TYR 11 HB2 TYR 11 -4.952 -2.150 -4.581 97 HB3 TYR 11 HB3 TYR 11 -5.882 -1.403 -5.876 98 HD1 TYR 11 HD1 TYR 11 -2.677 -3.114 -5.155 99 HD2 TYR 11 HD2 TYR 11 -5.541 -2.047 -8.105 100 HE1 TYR 11 HE1 TYR 11 -1.531 -4.556 -6.765 101 HE2 TYR 11 HE2 TYR 11 -4.401 -3.489 -9.741 102 HH TYR 11 HH TYR 11 -1.526 -5.386 -8.832 103 H CYS 12 H CYS 12 -5.648 1.751 -5.221 104 HA CYS 12 HA CYS 12 -5.640 2.007 -2.305 105 HB2 CYS 12 HB2 CYS 12 -5.102 4.009 -3.684 106 HB3 CYS 12 HB3 CYS 12 -6.691 3.901 -4.428 107 H SER 13 H SER 13 -7.228 0.889 -1.317 108 HA SER 13 HA SER 13 -9.955 1.137 -2.299 109 HB2 SER 13 HB2 SER 13 -8.615 -1.561 -1.996 110 HB3 SER 13 HB3 SER 13 -10.329 -1.304 -2.324 111 HG SER 13 HG SER 13 -8.592 -0.003 -4.037 112 H ASN 14 H ASN 14 -11.553 0.379 -0.790 113 HA ASN 14 HA ASN 14 -11.117 1.172 1.834 114 HB2 ASN 14 HB2 ASN 14 -13.344 0.937 0.704 115 HB3 ASN 14 HB3 ASN 14 -13.208 -0.805 0.911 116 HD21 ASN 14 HD21 ASN 14 -14.533 1.892 2.161 117 HD22 ASN 14 HD22 ASN 14 -14.749 1.392 3.802 118 H THR 15 H THR 15 -10.653 -1.877 0.289 119 HA THR 15 HA THR 15 -9.236 -2.903 2.596 120 HB THR 15 HB THR 15 -10.470 -5.080 2.505 121 HG1 THR 15 HG1 THR 15 -12.738 -4.700 1.593 122 HG21 THR 15 HG21 THR 15 -10.945 -3.166 4.148 123 HG22 THR 15 HG22 THR 15 -12.168 -4.425 3.984 124 HG23 THR 15 HG23 THR 15 -12.390 -2.872 3.181 125 H CYS 16 H CYS 16 -7.710 -4.499 2.005 126 HA CYS 16 HA CYS 16 -7.434 -4.910 -0.904 127 HB2 CYS 16 HB2 CYS 16 -5.200 -4.747 1.111 128 HB3 CYS 16 HB3 CYS 16 -5.043 -4.820 -0.640 129 H SER 17 H SER 17 -6.507 -6.845 -1.619 130 HA SER 17 HA SER 17 -7.329 -9.179 -0.325 131 HB2 SER 17 HB2 SER 17 -5.715 -10.279 -1.989 132 HB3 SER 17 HB3 SER 17 -6.985 -9.273 -2.682 133 HG SER 17 HG SER 17 -4.574 -9.028 -3.299 134 H LYS 18 H LYS 18 -6.259 -10.617 1.010 135 HA LYS 18 HA LYS 18 -4.458 -9.697 2.841 136 HB2 LYS 18 HB2 LYS 18 -4.700 -12.556 1.897 137 HB3 LYS 18 HB3 LYS 18 -3.964 -12.038 3.405 138 HG2 LYS 18 HG2 LYS 18 -6.203 -11.031 4.007 139 HG3 LYS 18 HG3 LYS 18 -6.857 -11.882 2.609 140 HD2 LYS 18 HD2 LYS 18 -7.277 -13.364 4.334 141 HD3 LYS 18 HD3 LYS 18 -5.760 -13.975 3.678 142 HE2 LYS 18 HE2 LYS 18 -6.058 -12.196 6.095 143 HE3 LYS 18 HE3 LYS 18 -5.739 -13.925 6.127 144 HZ1 LYS 18 HZ1 LYS 18 -3.676 -12.926 6.420 145 HZ2 LYS 18 HZ2 LYS 18 -3.952 -11.747 5.247 146 HZ3 LYS 18 HZ3 LYS 18 -3.677 -13.347 4.789 147 H THR 19 H THR 19 -3.786 -11.036 -0.310 148 HA THR 19 HA THR 19 -1.039 -11.501 0.005 149 HB THR 19 HB THR 19 -0.972 -11.150 -2.524 150 HG1 THR 19 HG1 THR 19 -3.621 -11.409 -2.881 151 HG21 THR 19 HG21 THR 19 -1.760 -13.293 -2.896 152 HG22 THR 19 HG22 THR 19 -3.114 -13.103 -1.784 153 HG23 THR 19 HG23 THR 19 -1.480 -13.317 -1.156 154 H GLN 20 H GLN 20 -2.816 -8.584 -0.918 155 HA GLN 20 HA GLN 20 -0.362 -7.097 -1.296 156 HB2 GLN 20 HB2 GLN 20 -3.257 -6.254 -1.429 157 HB3 GLN 20 HB3 GLN 20 -1.903 -5.184 -1.765 158 HG2 GLN 20 HG2 GLN 20 -1.194 -6.729 -3.569 159 HG3 GLN 20 HG3 GLN 20 -2.640 -7.683 -3.268 160 HE21 GLN 20 HE21 GLN 20 -3.433 -4.538 -2.734 161 HE22 GLN 20 HE22 GLN 20 -4.081 -4.146 -4.276 162 H ILE 21 H ILE 21 0.604 -5.818 0.121 163 HA ILE 21 HA ILE 21 -0.039 -5.920 2.871 164 HB ILE 21 HB ILE 21 1.805 -4.013 1.417 165 HG12 ILE 21 HG12 ILE 21 2.478 -6.601 2.833 166 HG13 ILE 21 HG13 ILE 21 2.286 -6.455 1.090 167 HG21 ILE 21 HG21 ILE 21 2.894 -3.659 3.548 168 HG22 ILE 21 HG22 ILE 21 1.787 -4.785 4.334 169 HG23 ILE 21 HG23 ILE 21 1.182 -3.261 3.687 170 HD11 ILE 21 HD11 ILE 21 4.154 -4.507 2.146 171 HD12 ILE 21 HD12 ILE 21 4.348 -5.677 0.841 172 HD13 ILE 21 HD13 ILE 21 4.624 -6.166 2.513 173 H TRP 22 H TRP 22 -1.468 -4.741 4.010 174 HA TRP 22 HA TRP 22 -2.916 -2.567 2.823 175 HB2 TRP 22 HB2 TRP 22 -2.897 -3.691 5.628 176 HB3 TRP 22 HB3 TRP 22 -3.942 -2.373 5.119 177 HD1 TRP 22 HD1 TRP 22 -3.247 -5.687 3.215 178 HE1 TRP 22 HE1 TRP 22 -5.510 -6.856 2.823 179 HE3 TRP 22 HE3 TRP 22 -6.275 -2.453 5.748 180 HZ2 TRP 22 HZ2 TRP 22 -8.217 -6.452 3.505 181 HZ3 TRP 22 HZ3 TRP 22 -8.689 -2.906 5.827 182 HH2 TRP 22 HH2 TRP 22 -9.639 -4.869 4.731 183 H ALA 23 H ALA 23 -0.833 -1.410 2.368 184 HA ALA 23 HA ALA 23 0.462 -0.148 4.609 185 HB1 ALA 23 HB1 ALA 23 2.084 0.526 3.141 186 HB2 ALA 23 HB2 ALA 23 0.955 0.689 1.795 187 HB3 ALA 23 HB3 ALA 23 1.472 -0.912 2.325 188 H THR 24 H THR 24 0.179 1.851 5.379 189 HA THR 24 HA THR 24 -2.088 3.382 4.482 190 HB THR 24 HB THR 24 -1.185 5.047 6.231 191 HG1 THR 24 HG1 THR 24 0.930 3.592 6.078 192 HG21 THR 24 HG21 THR 24 -3.024 3.733 6.877 193 HG22 THR 24 HG22 THR 24 -1.827 3.474 8.145 194 HG23 THR 24 HG23 THR 24 -2.068 2.251 6.898 195 H SER 25 H SER 25 -2.026 5.209 3.212 196 HA SER 25 HA SER 25 0.630 6.161 2.372 197 HB2 SER 25 HB2 SER 25 -0.566 6.571 0.100 198 HB3 SER 25 HB3 SER 25 -0.019 4.940 0.489 199 HG SER 25 HG SER 25 -2.298 4.799 1.425 200 H HIS 26 H HIS 26 0.868 8.328 2.158 201 HA HIS 26 HA HIS 26 -1.175 10.006 3.297 202 HB2 HIS 26 HB2 HIS 26 1.256 10.354 3.724 203 HB3 HIS 26 HB3 HIS 26 1.464 10.780 2.029 204 HD1 HIS 26 HD1 HIS 26 2.387 13.004 3.442 205 HD2 HIS 26 HD2 HIS 26 -1.712 12.418 3.143 206 HE1 HIS 26 HE1 HIS 26 1.347 15.233 3.958 207 HE2 HIS 26 HE2 HIS 26 -1.113 14.895 3.541 208 H GLY 27 H GLY 27 -2.170 8.789 1.025 209 HA2 GLY 27 HA2 GLY 27 -3.294 10.877 -0.394 210 HA3 GLY 27 HA3 GLY 27 -1.883 10.385 -1.311 211 H CYS 28 H CYS 28 -4.337 8.569 0.510 212 HA CYS 28 HA CYS 28 -5.164 7.244 -1.972 213 HB2 CYS 28 HB2 CYS 28 -3.648 5.646 -1.122 214 HB3 CYS 28 HB3 CYS 28 -4.164 5.916 0.536 215 H LYS 29 H LYS 29 -7.303 6.925 -2.123 216 HA LYS 29 HA LYS 29 -9.101 8.251 -0.493 217 HB2 LYS 29 HB2 LYS 29 -9.585 5.846 -2.261 218 HB3 LYS 29 HB3 LYS 29 -10.848 6.877 -1.602 219 HG2 LYS 29 HG2 LYS 29 -10.117 8.738 -2.883 220 HG3 LYS 29 HG3 LYS 29 -8.644 7.904 -3.365 221 HD2 LYS 29 HD2 LYS 29 -10.042 6.238 -4.567 222 HD3 LYS 29 HD3 LYS 29 -11.467 7.199 -4.163 223 HE2 LYS 29 HE2 LYS 29 -10.698 7.690 -6.423 224 HE3 LYS 29 HE3 LYS 29 -10.532 9.101 -5.380 225 HZ1 LYS 29 HZ1 LYS 29 -8.524 9.067 -6.452 226 HZ2 LYS 29 HZ2 LYS 29 -8.441 7.383 -6.519 227 HZ3 LYS 29 HZ3 LYS 29 -8.140 8.187 -5.067 228 H MET 30 H MET 30 -7.831 5.017 -0.280 229 HA MET 30 HA MET 30 -8.917 4.780 2.413 230 HB2 MET 30 HB2 MET 30 -9.269 2.614 0.334 231 HB3 MET 30 HB3 MET 30 -9.730 2.506 2.026 232 HG2 MET 30 HG2 MET 30 -11.731 2.942 0.959 233 HG3 MET 30 HG3 MET 30 -11.229 4.535 1.517 234 HE1 MET 30 HE1 MET 30 -12.752 6.056 -0.720 235 HE2 MET 30 HE2 MET 30 -13.345 4.522 -0.086 236 HE3 MET 30 HE3 MET 30 -13.228 4.769 -1.827 237 H TYR 31 H TYR 31 -7.961 1.763 1.602 238 HA TYR 31 HA TYR 31 -5.327 2.188 2.744 239 HB2 TYR 31 HB2 TYR 31 -6.740 -0.366 1.944 240 HB3 TYR 31 HB3 TYR 31 -5.177 -0.286 2.742 241 HD1 TYR 31 HD1 TYR 31 -8.758 0.601 3.176 242 HD2 TYR 31 HD2 TYR 31 -5.043 -0.246 5.066 243 HE1 TYR 31 HE1 TYR 31 -9.894 0.512 5.350 244 HE2 TYR 31 HE2 TYR 31 -6.169 -0.333 7.250 245 HH TYR 31 HH TYR 31 -9.157 0.882 7.833 246 H CYS 32 H CYS 32 -3.421 1.915 1.704 247 HA CYS 32 HA CYS 32 -3.543 1.470 -1.201 248 HB2 CYS 32 HB2 CYS 32 -2.449 3.560 -0.632 249 HB3 CYS 32 HB3 CYS 32 -1.405 2.748 0.530 250 H CYS 33 H CYS 33 -2.725 -0.429 -1.960 251 HA CYS 33 HA CYS 33 -0.879 -1.869 -0.223 252 HB2 CYS 33 HB2 CYS 33 -3.324 -3.233 -1.308 253 HB3 CYS 33 HB3 CYS 33 -2.219 -3.800 -0.057 254 H LEU 34 H LEU 34 0.417 -3.304 -1.150 255 HA LEU 34 HA LEU 34 0.249 -3.668 -4.057 256 HB2 LEU 34 HB2 LEU 34 2.872 -3.342 -2.625 257 HB3 LEU 34 HB3 LEU 34 2.538 -3.200 -4.334 258 HG LEU 34 HG LEU 34 1.142 -1.128 -3.661 259 HD11 LEU 34 HD11 LEU 34 1.030 -0.717 -1.493 260 HD12 LEU 34 HD12 LEU 34 2.737 -0.285 -1.558 261 HD13 LEU 34 HD13 LEU 34 2.260 -1.929 -1.139 262 HD21 LEU 34 HD21 LEU 34 2.815 -0.033 -4.610 263 HD22 LEU 34 HD22 LEU 34 3.787 -1.496 -4.476 264 HD23 LEU 34 HD23 LEU 34 3.842 -0.280 -3.202 265 HA PRO 35 HA PRO 35 0.688 -8.005 -3.457 266 HB2 PRO 35 HB2 PRO 35 3.203 -7.840 -5.049 267 HB3 PRO 35 HB3 PRO 35 1.805 -8.898 -5.264 268 HG2 PRO 35 HG2 PRO 35 2.253 -6.747 -6.832 269 HG3 PRO 35 HG3 PRO 35 0.625 -7.323 -6.440 270 HD2 PRO 35 HD2 PRO 35 2.043 -4.915 -5.516 271 HD3 PRO 35 HD3 PRO 35 0.302 -5.252 -5.566 272 H ALA 36 H ALA 36 1.788 -9.403 -2.078 273 HA ALA 36 HA ALA 36 3.361 -8.372 -0.054 274 HB1 ALA 36 HB1 ALA 36 3.385 -10.473 0.791 275 HB2 ALA 36 HB2 ALA 36 3.863 -11.200 -0.740 276 HB3 ALA 36 HB3 ALA 36 2.180 -10.755 -0.465 277 H SER 37 H SER 37 4.277 -9.700 -3.154 278 HA SER 37 HA SER 37 7.030 -10.010 -2.765 279 HB2 SER 37 HB2 SER 37 5.793 -10.885 -4.722 280 HB3 SER 37 HB3 SER 37 5.573 -9.238 -5.307 281 HG SER 37 HG SER 37 8.005 -10.670 -5.010 282 H TRP 38 H TRP 38 5.094 -7.203 -3.169 283 HA TRP 38 HA TRP 38 6.785 -5.311 -4.217 284 HB2 TRP 38 HB2 TRP 38 4.461 -4.837 -3.696 285 HB3 TRP 38 HB3 TRP 38 4.789 -5.008 -1.976 286 HD1 TRP 38 HD1 TRP 38 6.176 -2.763 -4.834 287 HE1 TRP 38 HE1 TRP 38 6.421 -0.380 -3.896 288 HE3 TRP 38 HE3 TRP 38 4.680 -3.630 -0.035 289 HZ2 TRP 38 HZ2 TRP 38 6.028 0.958 -1.431 290 HZ3 TRP 38 HZ3 TRP 38 4.639 -1.751 1.553 291 HH2 TRP 38 HH2 TRP 38 5.303 0.496 0.863 292 H LYS 39 H LYS 39 8.423 -4.060 -3.481 293 HA LYS 39 HA LYS 39 9.698 -4.905 -1.011 294 HB2 LYS 39 HB2 LYS 39 10.572 -3.296 -3.381 295 HB3 LYS 39 HB3 LYS 39 11.459 -3.163 -1.871 296 HG2 LYS 39 HG2 LYS 39 12.316 -4.823 -3.592 297 HG3 LYS 39 HG3 LYS 39 12.133 -5.398 -1.934 298 HD2 LYS 39 HD2 LYS 39 10.010 -6.435 -2.506 299 HD3 LYS 39 HD3 LYS 39 10.136 -5.821 -4.157 300 HE2 LYS 39 HE2 LYS 39 10.793 -8.179 -4.006 301 HE3 LYS 39 HE3 LYS 39 12.131 -7.158 -4.526 302 HZ1 LYS 39 HZ1 LYS 39 13.027 -7.222 -2.306 303 HZ2 LYS 39 HZ2 LYS 39 12.793 -8.800 -2.859 304 HZ3 LYS 39 HZ3 LYS 39 11.714 -8.126 -1.749 305 H TRP 40 H TRP 40 9.375 -3.908 0.811 306 HA TRP 40 HA TRP 40 7.986 -1.393 0.863 307 HB2 TRP 40 HB2 TRP 40 7.448 -3.271 2.410 308 HB3 TRP 40 HB3 TRP 40 9.022 -3.059 3.163 309 HD1 TRP 40 HD1 TRP 40 7.433 -2.717 5.402 310 HE1 TRP 40 HE1 TRP 40 6.468 -0.552 6.388 311 HE3 TRP 40 HE3 TRP 40 7.788 0.315 1.276 312 HZ2 TRP 40 HZ2 TRP 40 5.930 2.074 5.542 313 HZ3 TRP 40 HZ3 TRP 40 7.029 2.636 1.467 314 HH2 TRP 40 HH2 TRP 40 6.122 3.501 3.557 315 H LYS 41 H LYS 41 9.641 -1.037 3.557 316 HA LYS 41 HA LYS 41 11.362 0.981 2.499 317 HB2 LYS 41 HB2 LYS 41 11.334 -0.153 5.297 318 HB3 LYS 41 HB3 LYS 41 11.972 1.404 4.797 319 HG2 LYS 41 HG2 LYS 41 9.787 2.222 4.302 320 HG3 LYS 41 HG3 LYS 41 9.086 0.629 4.552 321 HD2 LYS 41 HD2 LYS 41 10.510 2.157 6.709 322 HD3 LYS 41 HD3 LYS 41 8.774 2.270 6.429 323 HE2 LYS 41 HE2 LYS 41 9.057 0.684 8.158 324 HE3 LYS 41 HE3 LYS 41 8.684 -0.234 6.705 325 HZ1 LYS 41 HZ1 LYS 41 11.502 0.211 7.331 326 HZ2 LYS 41 HZ2 LYS 41 10.748 -1.131 6.631 327 HZ3 LYS 41 HZ3 LYS 41 10.654 -0.884 8.296 Start of MODEL 6 1 H1 LEU 1 H1 LEU 1 3.618 1.609 9.971 2 H2 LEU 1 H2 LEU 1 2.911 3.119 9.711 3 H3 LEU 1 H3 LEU 1 4.496 2.832 9.207 4 HA LEU 1 HA LEU 1 3.858 1.467 7.469 5 HB2 LEU 1 HB2 LEU 1 2.252 0.210 8.955 6 HB3 LEU 1 HB3 LEU 1 1.076 1.467 8.645 7 HG LEU 1 HG LEU 1 1.063 0.917 6.284 8 HD11 LEU 1 HD11 LEU 1 3.392 -0.658 7.026 9 HD12 LEU 1 HD12 LEU 1 2.894 -0.036 5.453 10 HD13 LEU 1 HD13 LEU 1 2.228 -1.553 6.052 11 HD21 LEU 1 HD21 LEU 1 -0.333 -0.907 6.479 12 HD22 LEU 1 HD22 LEU 1 -0.310 -0.303 8.133 13 HD23 LEU 1 HD23 LEU 1 0.685 -1.688 7.688 14 H VAL 2 H VAL 2 4.081 4.254 7.767 15 HA VAL 2 HA VAL 2 1.827 5.379 6.281 16 HB VAL 2 HB VAL 2 4.204 6.734 7.561 17 HG11 VAL 2 HG11 VAL 2 3.620 8.109 5.747 18 HG12 VAL 2 HG12 VAL 2 2.788 8.813 7.132 19 HG13 VAL 2 HG13 VAL 2 1.896 7.825 5.977 20 HG21 VAL 2 HG21 VAL 2 2.308 7.695 9.002 21 HG22 VAL 2 HG22 VAL 2 2.805 6.030 9.299 22 HG23 VAL 2 HG23 VAL 2 1.340 6.361 8.377 23 H LEU 3 H LEU 3 2.015 6.333 4.305 24 HA LEU 3 HA LEU 3 4.569 6.127 2.861 25 HB2 LEU 3 HB2 LEU 3 1.882 5.386 1.701 26 HB3 LEU 3 HB3 LEU 3 3.426 5.299 0.890 27 HG LEU 3 HG LEU 3 2.744 3.614 3.292 28 HD11 LEU 3 HD11 LEU 3 2.191 3.214 0.382 29 HD12 LEU 3 HD12 LEU 3 1.171 2.863 1.776 30 HD13 LEU 3 HD13 LEU 3 2.553 1.829 1.411 31 HD21 LEU 3 HD21 LEU 3 4.913 3.554 1.208 32 HD22 LEU 3 HD22 LEU 3 4.568 2.201 2.284 33 HD23 LEU 3 HD23 LEU 3 5.089 3.749 2.950 34 H LYS 4 H LYS 4 4.914 7.811 1.404 35 HA LYS 4 HA LYS 4 3.553 10.236 1.831 36 HB2 LYS 4 HB2 LYS 4 5.277 9.374 -0.505 37 HB3 LYS 4 HB3 LYS 4 4.727 11.019 -0.239 38 HG2 LYS 4 HG2 LYS 4 7.031 10.719 0.470 39 HG3 LYS 4 HG3 LYS 4 5.989 11.130 1.833 40 HD2 LYS 4 HD2 LYS 4 6.061 8.957 2.691 41 HD3 LYS 4 HD3 LYS 4 6.633 8.277 1.167 42 HE2 LYS 4 HE2 LYS 4 8.787 9.284 1.454 43 HE3 LYS 4 HE3 LYS 4 8.233 10.186 2.862 44 HZ1 LYS 4 HZ1 LYS 4 8.238 8.315 4.169 45 HZ2 LYS 4 HZ2 LYS 4 9.577 8.023 3.182 46 HZ3 LYS 4 HZ3 LYS 4 8.108 7.248 2.869 47 H TYR 5 H TYR 5 3.329 7.764 -0.614 48 HA TYR 5 HA TYR 5 0.602 8.383 -1.241 49 HB2 TYR 5 HB2 TYR 5 1.191 8.668 -3.731 50 HB3 TYR 5 HB3 TYR 5 1.480 10.049 -2.678 51 HD1 TYR 5 HD1 TYR 5 3.181 7.158 -4.293 52 HD2 TYR 5 HD2 TYR 5 3.616 10.999 -2.518 53 HE1 TYR 5 HE1 TYR 5 5.540 7.203 -4.976 54 HE2 TYR 5 HE2 TYR 5 5.975 11.057 -3.201 55 HH TYR 5 HH TYR 5 7.752 9.589 -3.818 56 H CYS 6 H CYS 6 -0.373 6.683 -2.426 57 HA CYS 6 HA CYS 6 0.880 4.160 -2.048 58 HB2 CYS 6 HB2 CYS 6 -1.602 4.612 -1.920 59 HB3 CYS 6 HB3 CYS 6 -1.599 4.720 -3.676 60 HA PRO 7 HA PRO 7 3.268 4.158 -5.827 61 HB2 PRO 7 HB2 PRO 7 3.191 1.228 -5.307 62 HB3 PRO 7 HB3 PRO 7 4.577 2.277 -5.616 63 HG2 PRO 7 HG2 PRO 7 4.068 1.374 -3.168 64 HG3 PRO 7 HG3 PRO 7 4.666 3.024 -3.426 65 HD2 PRO 7 HD2 PRO 7 1.910 2.082 -2.774 66 HD3 PRO 7 HD3 PRO 7 2.762 3.545 -2.239 67 H LYS 8 H LYS 8 2.649 3.988 -7.908 68 HA LYS 8 HA LYS 8 0.078 3.450 -8.683 69 HB2 LYS 8 HB2 LYS 8 0.937 3.254 -10.983 70 HB3 LYS 8 HB3 LYS 8 1.521 4.666 -10.117 71 HG2 LYS 8 HG2 LYS 8 3.646 3.572 -9.719 72 HG3 LYS 8 HG3 LYS 8 3.064 2.119 -10.542 73 HD2 LYS 8 HD2 LYS 8 3.081 4.811 -11.845 74 HD3 LYS 8 HD3 LYS 8 4.479 3.734 -11.908 75 HE2 LYS 8 HE2 LYS 8 3.136 2.022 -12.987 76 HE3 LYS 8 HE3 LYS 8 1.700 3.033 -12.847 77 HZ1 LYS 8 HZ1 LYS 8 2.595 4.581 -14.371 78 HZ2 LYS 8 HZ2 LYS 8 2.789 3.050 -15.063 79 HZ3 LYS 8 HZ3 LYS 8 4.110 3.837 -14.364 80 H ILE 9 H ILE 9 2.749 1.210 -8.386 81 HA ILE 9 HA ILE 9 1.661 -0.962 -9.785 82 HB ILE 9 HB ILE 9 4.001 -0.929 -9.070 83 HG12 ILE 9 HG12 ILE 9 4.166 -3.249 -8.203 84 HG13 ILE 9 HG13 ILE 9 2.437 -3.231 -7.875 85 HG21 ILE 9 HG21 ILE 9 3.473 0.137 -6.838 86 HG22 ILE 9 HG22 ILE 9 4.711 -1.116 -6.833 87 HG23 ILE 9 HG23 ILE 9 3.082 -1.482 -6.263 88 HD11 ILE 9 HD11 ILE 9 3.602 -2.826 -10.613 89 HD12 ILE 9 HD12 ILE 9 1.919 -3.133 -10.184 90 HD13 ILE 9 HD13 ILE 9 3.128 -4.397 -9.969 91 H GLY 10 H GLY 10 1.112 0.243 -6.553 92 HA2 GLY 10 HA2 GLY 10 -0.365 -2.081 -5.698 93 HA3 GLY 10 HA3 GLY 10 -0.179 -0.570 -4.821 94 H TYR 11 H TYR 11 -2.373 -0.620 -4.264 95 HA TYR 11 HA TYR 11 -4.096 0.641 -6.209 96 HB2 TYR 11 HB2 TYR 11 -5.163 -1.809 -4.816 97 HB3 TYR 11 HB3 TYR 11 -5.881 -0.912 -6.146 98 HD1 TYR 11 HD1 TYR 11 -3.114 -3.201 -5.250 99 HD2 TYR 11 HD2 TYR 11 -5.443 -1.507 -8.377 100 HE1 TYR 11 HE1 TYR 11 -2.136 -4.804 -6.830 101 HE2 TYR 11 HE2 TYR 11 -4.471 -3.108 -9.975 102 HH TYR 11 HH TYR 11 -1.904 -5.342 -9.006 103 H CYS 12 H CYS 12 -5.407 2.075 -5.200 104 HA CYS 12 HA CYS 12 -5.323 2.109 -2.275 105 HB2 CYS 12 HB2 CYS 12 -6.153 4.230 -4.267 106 HB3 CYS 12 HB3 CYS 12 -6.188 4.436 -2.518 107 H SER 13 H SER 13 -6.974 1.175 -1.243 108 HA SER 13 HA SER 13 -9.695 1.701 -2.118 109 HB2 SER 13 HB2 SER 13 -8.689 -1.148 -1.875 110 HB3 SER 13 HB3 SER 13 -10.328 -0.644 -2.287 111 HG SER 13 HG SER 13 -8.778 0.586 -3.984 112 H ASN 14 H ASN 14 -11.296 0.770 -0.585 113 HA ASN 14 HA ASN 14 -10.825 1.595 2.015 114 HB2 ASN 14 HB2 ASN 14 -13.071 1.225 0.955 115 HB3 ASN 14 HB3 ASN 14 -12.838 -0.504 1.184 116 HD21 ASN 14 HD21 ASN 14 -14.295 2.119 2.433 117 HD22 ASN 14 HD22 ASN 14 -14.423 1.637 4.087 118 H THR 15 H THR 15 -10.265 -1.488 0.513 119 HA THR 15 HA THR 15 -8.715 -2.341 2.798 120 HB THR 15 HB THR 15 -9.848 -4.610 2.788 121 HG1 THR 15 HG1 THR 15 -11.381 -3.296 0.944 122 HG21 THR 15 HG21 THR 15 -11.595 -2.345 3.733 123 HG22 THR 15 HG22 THR 15 -10.131 -2.873 4.563 124 HG23 THR 15 HG23 THR 15 -11.495 -3.976 4.396 125 H CYS 16 H CYS 16 -7.369 -4.198 2.308 126 HA CYS 16 HA CYS 16 -6.812 -4.404 -0.574 127 HB2 CYS 16 HB2 CYS 16 -4.960 -4.852 1.774 128 HB3 CYS 16 HB3 CYS 16 -4.503 -4.864 0.069 129 H SER 17 H SER 17 -6.447 -6.391 -1.524 130 HA SER 17 HA SER 17 -7.779 -8.627 -0.487 131 HB2 SER 17 HB2 SER 17 -5.503 -8.783 -2.470 132 HB3 SER 17 HB3 SER 17 -6.933 -9.809 -2.371 133 HG SER 17 HG SER 17 -6.671 -7.816 -3.947 134 H LYS 18 H LYS 18 -7.098 -10.203 0.930 135 HA LYS 18 HA LYS 18 -5.039 -9.836 2.658 136 HB2 LYS 18 HB2 LYS 18 -6.819 -11.585 2.858 137 HB3 LYS 18 HB3 LYS 18 -5.918 -12.567 1.711 138 HG2 LYS 18 HG2 LYS 18 -5.499 -13.263 4.008 139 HG3 LYS 18 HG3 LYS 18 -4.029 -12.656 3.245 140 HD2 LYS 18 HD2 LYS 18 -4.355 -10.492 4.360 141 HD3 LYS 18 HD3 LYS 18 -5.814 -11.116 5.131 142 HE2 LYS 18 HE2 LYS 18 -4.490 -12.797 6.296 143 HE3 LYS 18 HE3 LYS 18 -3.031 -12.219 5.494 144 HZ1 LYS 18 HZ1 LYS 18 -4.398 -10.098 6.801 145 HZ2 LYS 18 HZ2 LYS 18 -2.804 -10.625 6.994 146 HZ3 LYS 18 HZ3 LYS 18 -4.044 -11.341 7.886 147 H THR 19 H THR 19 -4.902 -11.330 -0.498 148 HA THR 19 HA THR 19 -2.163 -12.158 -0.291 149 HB THR 19 HB THR 19 -2.448 -12.371 -2.849 150 HG1 THR 19 HG1 THR 19 -4.193 -11.299 -3.469 151 HG21 THR 19 HG21 THR 19 -2.639 -14.245 -1.216 152 HG22 THR 19 HG22 THR 19 -3.661 -14.444 -2.639 153 HG23 THR 19 HG23 THR 19 -4.370 -13.922 -1.111 154 H GLN 20 H GLN 20 -2.586 -9.406 0.393 155 HA GLN 20 HA GLN 20 -0.643 -8.175 -1.362 156 HB2 GLN 20 HB2 GLN 20 -3.376 -6.930 -0.972 157 HB3 GLN 20 HB3 GLN 20 -2.025 -6.186 -1.809 158 HG2 GLN 20 HG2 GLN 20 -2.101 -7.944 -3.500 159 HG3 GLN 20 HG3 GLN 20 -3.439 -8.708 -2.649 160 HE21 GLN 20 HE21 GLN 20 -3.350 -5.287 -2.694 161 HE22 GLN 20 HE22 GLN 20 -4.600 -5.046 -3.862 162 H ILE 21 H ILE 21 0.579 -6.701 -0.301 163 HA ILE 21 HA ILE 21 0.434 -6.564 2.529 164 HB ILE 21 HB ILE 21 2.087 -4.969 0.561 165 HG12 ILE 21 HG12 ILE 21 2.824 -7.311 2.330 166 HG13 ILE 21 HG13 ILE 21 2.504 -7.412 0.604 167 HG21 ILE 21 HG21 ILE 21 2.264 -5.114 3.566 168 HG22 ILE 21 HG22 ILE 21 1.906 -3.693 2.586 169 HG23 ILE 21 HG23 ILE 21 3.509 -4.424 2.526 170 HD11 ILE 21 HD11 ILE 21 4.780 -6.006 1.967 171 HD12 ILE 21 HD12 ILE 21 4.409 -5.832 0.251 172 HD13 ILE 21 HD13 ILE 21 4.851 -7.411 0.903 173 H TRP 22 H TRP 22 -0.393 -5.035 3.837 174 HA TRP 22 HA TRP 22 -2.004 -2.918 2.618 175 HB2 TRP 22 HB2 TRP 22 -1.878 -3.774 5.521 176 HB3 TRP 22 HB3 TRP 22 -3.069 -2.707 4.790 177 HD1 TRP 22 HD1 TRP 22 -1.905 -6.309 3.871 178 HE1 TRP 22 HE1 TRP 22 -4.011 -7.764 3.609 179 HE3 TRP 22 HE3 TRP 22 -5.454 -2.799 4.963 180 HZ2 TRP 22 HZ2 TRP 22 -6.807 -7.463 3.837 181 HZ3 TRP 22 HZ3 TRP 22 -7.822 -3.463 4.914 182 HH2 TRP 22 HH2 TRP 22 -8.482 -5.746 4.362 183 H ALA 23 H ALA 23 -1.562 -0.766 2.925 184 HA ALA 23 HA ALA 23 0.349 0.076 4.915 185 HB1 ALA 23 HB1 ALA 23 1.923 1.085 3.356 186 HB2 ALA 23 HB2 ALA 23 1.009 0.430 1.996 187 HB3 ALA 23 HB3 ALA 23 1.829 -0.659 3.114 188 H THR 24 H THR 24 0.095 2.182 5.488 189 HA THR 24 HA THR 24 -2.215 3.546 4.420 190 HB THR 24 HB THR 24 -0.302 4.559 6.528 191 HG1 THR 24 HG1 THR 24 -2.367 2.627 6.669 192 HG21 THR 24 HG21 THR 24 -3.204 5.053 6.691 193 HG22 THR 24 HG22 THR 24 -2.377 5.841 5.348 194 HG23 THR 24 HG23 THR 24 -1.851 6.137 7.006 195 H SER 25 H SER 25 -2.150 5.144 2.923 196 HA SER 25 HA SER 25 0.431 6.470 2.456 197 HB2 SER 25 HB2 SER 25 -0.141 6.548 0.029 198 HB3 SER 25 HB3 SER 25 0.107 4.913 0.637 199 HG SER 25 HG SER 25 -2.319 5.014 0.939 200 H HIS 26 H HIS 26 0.316 8.558 2.812 201 HA HIS 26 HA HIS 26 -1.920 9.994 3.519 202 HB2 HIS 26 HB2 HIS 26 0.476 10.687 3.824 203 HB3 HIS 26 HB3 HIS 26 0.511 11.135 2.126 204 HD1 HIS 26 HD1 HIS 26 1.181 13.448 3.603 205 HD2 HIS 26 HD2 HIS 26 -2.808 12.316 3.351 206 HE1 HIS 26 HE1 HIS 26 -0.139 15.512 4.150 207 HE2 HIS 26 HE2 HIS 26 -2.536 14.747 4.182 208 H GLY 27 H GLY 27 -0.460 9.626 0.332 209 HA2 GLY 27 HA2 GLY 27 -2.008 11.456 -1.085 210 HA3 GLY 27 HA3 GLY 27 -1.261 10.025 -1.772 211 H CYS 28 H CYS 28 -2.847 8.237 0.017 212 HA CYS 28 HA CYS 28 -5.395 8.485 -1.424 213 HB2 CYS 28 HB2 CYS 28 -3.843 6.041 -0.608 214 HB3 CYS 28 HB3 CYS 28 -5.524 5.968 -1.127 215 H LYS 29 H LYS 29 -7.252 8.447 -0.390 216 HA LYS 29 HA LYS 29 -7.431 9.049 2.327 217 HB2 LYS 29 HB2 LYS 29 -9.881 8.643 2.016 218 HB3 LYS 29 HB3 LYS 29 -9.173 9.718 0.820 219 HG2 LYS 29 HG2 LYS 29 -9.162 7.979 -0.829 220 HG3 LYS 29 HG3 LYS 29 -9.657 6.784 0.358 221 HD2 LYS 29 HD2 LYS 29 -11.547 7.389 -0.997 222 HD3 LYS 29 HD3 LYS 29 -11.790 7.992 0.642 223 HE2 LYS 29 HE2 LYS 29 -12.455 9.662 -1.002 224 HE3 LYS 29 HE3 LYS 29 -11.073 10.221 -0.063 225 HZ1 LYS 29 HZ1 LYS 29 -9.822 9.099 -2.103 226 HZ2 LYS 29 HZ2 LYS 29 -10.306 10.714 -2.107 227 HZ3 LYS 29 HZ3 LYS 29 -11.245 9.549 -2.886 228 H MET 30 H MET 30 -8.195 6.004 0.665 229 HA MET 30 HA MET 30 -8.763 4.680 3.155 230 HB2 MET 30 HB2 MET 30 -8.660 3.665 0.312 231 HB3 MET 30 HB3 MET 30 -9.133 2.689 1.697 232 HG2 MET 30 HG2 MET 30 -11.055 3.981 2.094 233 HG3 MET 30 HG3 MET 30 -10.522 5.250 1.000 234 HE1 MET 30 HE1 MET 30 -10.673 5.141 -1.608 235 HE2 MET 30 HE2 MET 30 -11.034 3.668 -2.508 236 HE3 MET 30 HE3 MET 30 -9.548 3.784 -1.567 237 H TYR 31 H TYR 31 -7.412 2.230 1.577 238 HA TYR 31 HA TYR 31 -4.835 2.551 2.963 239 HB2 TYR 31 HB2 TYR 31 -6.242 -0.007 2.165 240 HB3 TYR 31 HB3 TYR 31 -4.750 0.116 3.085 241 HD1 TYR 31 HD1 TYR 31 -8.229 1.498 3.315 242 HD2 TYR 31 HD2 TYR 31 -4.955 -0.337 5.314 243 HE1 TYR 31 HE1 TYR 31 -9.532 1.451 5.393 244 HE2 TYR 31 HE2 TYR 31 -6.254 -0.393 7.397 245 HH TYR 31 HH TYR 31 -9.565 0.105 7.522 246 H CYS 32 H CYS 32 -3.005 1.460 1.986 247 HA CYS 32 HA CYS 32 -3.072 1.602 -0.945 248 HB2 CYS 32 HB2 CYS 32 -1.365 3.018 0.216 249 HB3 CYS 32 HB3 CYS 32 -0.661 1.555 0.894 250 H CYS 33 H CYS 33 -2.981 -0.236 -2.031 251 HA CYS 33 HA CYS 33 -2.317 -2.701 -0.564 252 HB2 CYS 33 HB2 CYS 33 -4.068 -2.459 -3.006 253 HB3 CYS 33 HB3 CYS 33 -3.951 -3.810 -1.883 254 H LEU 34 H LEU 34 -0.723 -3.983 -1.334 255 HA LEU 34 HA LEU 34 0.057 -3.761 -4.134 256 HB2 LEU 34 HB2 LEU 34 2.150 -3.582 -1.975 257 HB3 LEU 34 HB3 LEU 34 2.367 -3.386 -3.699 258 HG LEU 34 HG LEU 34 0.663 -1.367 -3.270 259 HD11 LEU 34 HD11 LEU 34 0.423 -0.755 -1.164 260 HD12 LEU 34 HD12 LEU 34 2.172 -0.708 -0.937 261 HD13 LEU 34 HD13 LEU 34 1.289 -2.211 -0.678 262 HD21 LEU 34 HD21 LEU 34 2.393 -0.214 -4.031 263 HD22 LEU 34 HD22 LEU 34 3.388 -1.651 -3.815 264 HD23 LEU 34 HD23 LEU 34 3.280 -0.452 -2.528 265 HA PRO 35 HA PRO 35 0.398 -8.140 -3.918 266 HB2 PRO 35 HB2 PRO 35 2.965 -7.860 -5.393 267 HB3 PRO 35 HB3 PRO 35 1.531 -8.807 -5.802 268 HG2 PRO 35 HG2 PRO 35 2.115 -6.536 -7.089 269 HG3 PRO 35 HG3 PRO 35 0.441 -7.002 -6.741 270 HD2 PRO 35 HD2 PRO 35 2.150 -4.945 -5.431 271 HD3 PRO 35 HD3 PRO 35 0.397 -4.949 -5.717 272 H ALA 36 H ALA 36 1.442 -9.697 -2.684 273 HA ALA 36 HA ALA 36 2.928 -8.942 -0.483 274 HB1 ALA 36 HB1 ALA 36 3.234 -11.661 -1.714 275 HB2 ALA 36 HB2 ALA 36 1.718 -11.156 -0.969 276 HB3 ALA 36 HB3 ALA 36 3.194 -11.212 -0.009 277 H SER 37 H SER 37 3.963 -9.777 -3.692 278 HA SER 37 HA SER 37 6.704 -10.160 -3.232 279 HB2 SER 37 HB2 SER 37 5.413 -9.041 -5.726 280 HB3 SER 37 HB3 SER 37 6.953 -9.891 -5.618 281 HG SER 37 HG SER 37 5.803 -11.754 -4.974 282 H TRP 38 H TRP 38 4.778 -7.272 -3.528 283 HA TRP 38 HA TRP 38 6.586 -5.350 -4.269 284 HB2 TRP 38 HB2 TRP 38 4.202 -4.900 -3.803 285 HB3 TRP 38 HB3 TRP 38 4.515 -5.094 -2.083 286 HD1 TRP 38 HD1 TRP 38 5.987 -2.852 -4.906 287 HE1 TRP 38 HE1 TRP 38 6.294 -0.485 -3.939 288 HE3 TRP 38 HE3 TRP 38 4.384 -3.717 -0.141 289 HZ2 TRP 38 HZ2 TRP 38 5.894 0.840 -1.482 290 HZ3 TRP 38 HZ3 TRP 38 4.363 -1.844 1.458 291 HH2 TRP 38 HH2 TRP 38 5.111 0.385 0.800 292 H LYS 39 H LYS 39 8.250 -4.282 -3.327 293 HA LYS 39 HA LYS 39 9.342 -5.441 -0.910 294 HB2 LYS 39 HB2 LYS 39 10.421 -3.445 -2.894 295 HB3 LYS 39 HB3 LYS 39 11.269 -3.852 -1.411 296 HG2 LYS 39 HG2 LYS 39 10.495 -5.851 -3.524 297 HG3 LYS 39 HG3 LYS 39 12.076 -5.077 -3.402 298 HD2 LYS 39 HD2 LYS 39 12.270 -6.000 -1.092 299 HD3 LYS 39 HD3 LYS 39 10.773 -6.889 -1.373 300 HE2 LYS 39 HE2 LYS 39 11.797 -8.112 -3.191 301 HE3 LYS 39 HE3 LYS 39 13.271 -7.160 -3.040 302 HZ1 LYS 39 HZ1 LYS 39 13.225 -9.451 -1.968 303 HZ2 LYS 39 HZ2 LYS 39 12.249 -8.753 -0.779 304 HZ3 LYS 39 HZ3 LYS 39 13.810 -8.173 -1.037 305 H TRP 40 H TRP 40 7.927 -4.748 0.636 306 HA TRP 40 HA TRP 40 7.407 -1.970 1.032 307 HB2 TRP 40 HB2 TRP 40 5.746 -3.682 1.611 308 HB3 TRP 40 HB3 TRP 40 6.844 -4.349 2.807 309 HD1 TRP 40 HD1 TRP 40 4.887 -3.908 4.619 310 HE1 TRP 40 HE1 TRP 40 4.299 -1.810 5.968 311 HE3 TRP 40 HE3 TRP 40 7.333 -0.402 1.792 312 HZ2 TRP 40 HZ2 TRP 40 4.800 0.965 5.854 313 HZ3 TRP 40 HZ3 TRP 40 7.225 1.946 2.492 314 HH2 TRP 40 HH2 TRP 40 5.983 2.615 4.481 315 H LYS 41 H LYS 41 7.763 -2.891 4.093 316 HA LYS 41 HA LYS 41 10.268 -1.492 4.417 317 HB2 LYS 41 HB2 LYS 41 8.323 -2.675 6.406 318 HB3 LYS 41 HB3 LYS 41 9.800 -1.845 6.867 319 HG2 LYS 41 HG2 LYS 41 9.019 0.207 5.930 320 HG3 LYS 41 HG3 LYS 41 7.617 -0.590 5.232 321 HD2 LYS 41 HD2 LYS 41 6.936 0.590 7.219 322 HD3 LYS 41 HD3 LYS 41 6.849 -1.145 7.527 323 HE2 LYS 41 HE2 LYS 41 7.832 0.002 9.425 324 HE3 LYS 41 HE3 LYS 41 9.027 -1.041 8.658 325 HZ1 LYS 41 HZ1 LYS 41 9.662 1.356 9.310 326 HZ2 LYS 41 HZ2 LYS 41 8.851 1.795 7.896 327 HZ3 LYS 41 HZ3 LYS 41 10.178 0.751 7.823 Start of MODEL 7 1 H1 LEU 1 H1 LEU 1 1.246 1.424 9.858 2 H2 LEU 1 H2 LEU 1 1.587 -0.226 9.749 3 H3 LEU 1 H3 LEU 1 0.346 0.445 8.820 4 HA LEU 1 HA LEU 1 3.209 1.136 8.558 5 HB2 LEU 1 HB2 LEU 1 2.553 -1.214 7.943 6 HB3 LEU 1 HB3 LEU 1 1.460 -0.537 6.752 7 HG LEU 1 HG LEU 1 4.441 -0.113 6.753 8 HD11 LEU 1 HD11 LEU 1 2.712 -2.189 5.492 9 HD12 LEU 1 HD12 LEU 1 4.302 -2.350 6.237 10 HD13 LEU 1 HD13 LEU 1 4.148 -1.621 4.639 11 HD21 LEU 1 HD21 LEU 1 2.210 0.868 5.086 12 HD22 LEU 1 HD22 LEU 1 3.673 0.361 4.245 13 HD23 LEU 1 HD23 LEU 1 3.756 1.619 5.475 14 H VAL 2 H VAL 2 3.540 2.983 7.428 15 HA VAL 2 HA VAL 2 1.343 3.993 5.772 16 HB VAL 2 HB VAL 2 1.804 6.285 6.540 17 HG11 VAL 2 HG11 VAL 2 -0.054 5.102 7.513 18 HG12 VAL 2 HG12 VAL 2 0.746 6.041 8.771 19 HG13 VAL 2 HG13 VAL 2 1.011 4.303 8.668 20 HG21 VAL 2 HG21 VAL 2 3.936 4.897 7.958 21 HG22 VAL 2 HG22 VAL 2 3.022 6.007 8.977 22 HG23 VAL 2 HG23 VAL 2 3.796 6.594 7.505 23 H LEU 3 H LEU 3 1.887 5.024 3.916 24 HA LEU 3 HA LEU 3 4.731 5.003 3.172 25 HB2 LEU 3 HB2 LEU 3 2.183 4.641 1.639 26 HB3 LEU 3 HB3 LEU 3 3.622 5.195 0.824 27 HG LEU 3 HG LEU 3 4.776 3.161 1.269 28 HD11 LEU 3 HD11 LEU 3 4.078 2.734 3.531 29 HD12 LEU 3 HD12 LEU 3 3.717 1.328 2.533 30 HD13 LEU 3 HD13 LEU 3 2.423 2.432 3.003 31 HD21 LEU 3 HD21 LEU 3 2.980 1.495 0.382 32 HD22 LEU 3 HD22 LEU 3 3.505 2.846 -0.623 33 HD23 LEU 3 HD23 LEU 3 1.979 2.946 0.257 34 H LYS 4 H LYS 4 5.700 6.837 2.485 35 HA LYS 4 HA LYS 4 4.505 9.378 2.906 36 HB2 LYS 4 HB2 LYS 4 6.962 8.494 1.381 37 HB3 LYS 4 HB3 LYS 4 6.480 10.176 1.482 38 HG2 LYS 4 HG2 LYS 4 8.201 9.722 3.094 39 HG3 LYS 4 HG3 LYS 4 6.689 10.065 3.931 40 HD2 LYS 4 HD2 LYS 4 6.352 7.779 4.452 41 HD3 LYS 4 HD3 LYS 4 7.623 7.266 3.340 42 HE2 LYS 4 HE2 LYS 4 9.306 8.299 4.731 43 HE3 LYS 4 HE3 LYS 4 8.067 8.939 5.808 44 HZ1 LYS 4 HZ1 LYS 4 8.062 6.061 5.397 45 HZ2 LYS 4 HZ2 LYS 4 7.783 6.951 6.805 46 HZ3 LYS 4 HZ3 LYS 4 9.363 6.683 6.274 47 H TYR 5 H TYR 5 4.749 7.135 0.365 48 HA TYR 5 HA TYR 5 2.696 8.305 -1.226 49 HB2 TYR 5 HB2 TYR 5 4.138 8.542 -3.265 50 HB3 TYR 5 HB3 TYR 5 4.491 9.720 -2.008 51 HD1 TYR 5 HD1 TYR 5 5.685 6.688 -3.701 52 HD2 TYR 5 HD2 TYR 5 6.605 9.694 -0.835 53 HE1 TYR 5 HE1 TYR 5 8.025 5.948 -3.685 54 HE2 TYR 5 HE2 TYR 5 8.954 8.965 -0.813 55 HH TYR 5 HH TYR 5 10.152 6.604 -3.109 56 H CYS 6 H CYS 6 1.836 6.765 -2.594 57 HA CYS 6 HA CYS 6 2.846 4.070 -2.185 58 HB2 CYS 6 HB2 CYS 6 0.390 4.687 -1.984 59 HB3 CYS 6 HB3 CYS 6 0.377 4.828 -3.736 60 HA PRO 7 HA PRO 7 4.950 4.045 -6.092 61 HB2 PRO 7 HB2 PRO 7 4.866 1.124 -5.933 62 HB3 PRO 7 HB3 PRO 7 6.257 2.206 -5.899 63 HG2 PRO 7 HG2 PRO 7 5.415 0.834 -3.726 64 HG3 PRO 7 HG3 PRO 7 6.210 2.413 -3.621 65 HD2 PRO 7 HD2 PRO 7 3.316 1.721 -3.376 66 HD3 PRO 7 HD3 PRO 7 4.273 2.931 -2.497 67 H LYS 8 H LYS 8 4.429 3.730 -8.226 68 HA LYS 8 HA LYS 8 1.833 3.639 -9.054 69 HB2 LYS 8 HB2 LYS 8 2.609 3.370 -11.281 70 HB3 LYS 8 HB3 LYS 8 3.843 4.285 -10.430 71 HG2 LYS 8 HG2 LYS 8 3.978 1.318 -10.902 72 HG3 LYS 8 HG3 LYS 8 4.707 2.520 -11.962 73 HD2 LYS 8 HD2 LYS 8 5.344 2.309 -9.025 74 HD3 LYS 8 HD3 LYS 8 6.249 1.454 -10.271 75 HE2 LYS 8 HE2 LYS 8 6.904 3.526 -11.297 76 HE3 LYS 8 HE3 LYS 8 5.868 4.444 -10.209 77 HZ1 LYS 8 HZ1 LYS 8 7.785 2.760 -8.871 78 HZ2 LYS 8 HZ2 LYS 8 7.391 4.378 -8.594 79 HZ3 LYS 8 HZ3 LYS 8 8.485 3.971 -9.813 80 H ILE 9 H ILE 9 3.900 0.918 -8.369 81 HA ILE 9 HA ILE 9 2.497 -1.096 -9.699 82 HB ILE 9 HB ILE 9 4.680 -1.554 -8.822 83 HG12 ILE 9 HG12 ILE 9 4.282 -3.661 -7.567 84 HG13 ILE 9 HG13 ILE 9 2.599 -3.196 -7.358 85 HG21 ILE 9 HG21 ILE 9 4.403 -1.912 -6.076 86 HG22 ILE 9 HG22 ILE 9 3.625 -0.369 -6.416 87 HG23 ILE 9 HG23 ILE 9 5.298 -0.638 -6.901 88 HD11 ILE 9 HD11 ILE 9 2.050 -3.764 -9.460 89 HD12 ILE 9 HD12 ILE 9 3.477 -4.788 -9.318 90 HD13 ILE 9 HD13 ILE 9 3.591 -3.226 -10.128 91 H GLY 10 H GLY 10 1.899 0.419 -6.585 92 HA2 GLY 10 HA2 GLY 10 -0.122 -1.517 -5.860 93 HA3 GLY 10 HA3 GLY 10 0.340 -0.098 -4.938 94 H TYR 11 H TYR 11 -2.178 -0.506 -4.866 95 HA TYR 11 HA TYR 11 -3.333 1.667 -6.388 96 HB2 TYR 11 HB2 TYR 11 -5.173 0.409 -7.312 97 HB3 TYR 11 HB3 TYR 11 -3.677 -0.348 -7.838 98 HD1 TYR 11 HD1 TYR 11 -6.467 -0.652 -5.408 99 HD2 TYR 11 HD2 TYR 11 -3.256 -2.637 -7.378 100 HE1 TYR 11 HE1 TYR 11 -7.285 -2.812 -4.568 101 HE2 TYR 11 HE2 TYR 11 -4.073 -4.791 -6.553 102 HH TYR 11 HH TYR 11 -6.809 -4.996 -4.318 103 H CYS 12 H CYS 12 -5.120 2.580 -5.288 104 HA CYS 12 HA CYS 12 -5.285 1.733 -2.513 105 HB2 CYS 12 HB2 CYS 12 -6.133 4.209 -3.981 106 HB3 CYS 12 HB3 CYS 12 -6.669 3.896 -2.333 107 H SER 13 H SER 13 -6.998 0.990 -1.472 108 HA SER 13 HA SER 13 -9.644 1.021 -2.636 109 HB2 SER 13 HB2 SER 13 -8.188 -1.591 -2.131 110 HB3 SER 13 HB3 SER 13 -9.909 -1.447 -2.492 111 HG SER 13 HG SER 13 -7.981 -0.322 -4.211 112 H ASN 14 H ASN 14 -11.252 0.107 -1.112 113 HA ASN 14 HA ASN 14 -11.074 1.193 1.423 114 HB2 ASN 14 HB2 ASN 14 -13.101 0.093 1.915 115 HB3 ASN 14 HB3 ASN 14 -13.138 0.285 0.166 116 HD21 ASN 14 HD21 ASN 14 -13.968 -1.772 2.444 117 HD22 ASN 14 HD22 ASN 14 -13.704 -3.284 1.646 118 H THR 15 H THR 15 -10.199 -1.986 0.283 119 HA THR 15 HA THR 15 -8.569 -2.452 2.627 120 HB THR 15 HB THR 15 -9.566 -4.729 2.985 121 HG1 THR 15 HG1 THR 15 -11.397 -3.687 1.096 122 HG21 THR 15 HG21 THR 15 -11.621 -2.587 3.466 123 HG22 THR 15 HG22 THR 15 -10.104 -2.655 4.363 124 HG23 THR 15 HG23 THR 15 -11.246 -3.993 4.462 125 H CYS 16 H CYS 16 -6.974 -4.059 2.235 126 HA CYS 16 HA CYS 16 -6.699 -4.766 -0.606 127 HB2 CYS 16 HB2 CYS 16 -4.589 -4.315 1.509 128 HB3 CYS 16 HB3 CYS 16 -4.258 -4.846 -0.137 129 H SER 17 H SER 17 -6.076 -6.809 -1.216 130 HA SER 17 HA SER 17 -6.947 -8.964 0.344 131 HB2 SER 17 HB2 SER 17 -6.630 -8.887 -2.188 132 HB3 SER 17 HB3 SER 17 -4.912 -9.134 -1.889 133 HG SER 17 HG SER 17 -7.073 -10.872 -1.299 134 H LYS 18 H LYS 18 -5.741 -10.560 1.503 135 HA LYS 18 HA LYS 18 -3.769 -9.635 3.187 136 HB2 LYS 18 HB2 LYS 18 -4.143 -12.499 2.293 137 HB3 LYS 18 HB3 LYS 18 -3.273 -11.978 3.728 138 HG2 LYS 18 HG2 LYS 18 -6.220 -11.733 3.188 139 HG3 LYS 18 HG3 LYS 18 -5.427 -12.745 4.392 140 HD2 LYS 18 HD2 LYS 18 -5.524 -9.730 4.350 141 HD3 LYS 18 HD3 LYS 18 -6.379 -10.798 5.461 142 HE2 LYS 18 HE2 LYS 18 -4.238 -11.584 6.351 143 HE3 LYS 18 HE3 LYS 18 -3.382 -10.520 5.237 144 HZ1 LYS 18 HZ1 LYS 18 -5.264 -9.014 6.673 145 HZ2 LYS 18 HZ2 LYS 18 -3.580 -8.881 6.686 146 HZ3 LYS 18 HZ3 LYS 18 -4.356 -9.916 7.771 147 H THR 19 H THR 19 -3.425 -11.210 0.074 148 HA THR 19 HA THR 19 -0.674 -11.644 0.059 149 HB THR 19 HB THR 19 -0.914 -11.375 -2.469 150 HG1 THR 19 HG1 THR 19 -3.630 -11.532 -2.382 151 HG21 THR 19 HG21 THR 19 -2.307 -13.311 -0.718 152 HG22 THR 19 HG22 THR 19 -1.089 -13.582 -1.963 153 HG23 THR 19 HG23 THR 19 -2.770 -13.319 -2.417 154 H GLN 20 H GLN 20 -2.514 -8.747 -0.272 155 HA GLN 20 HA GLN 20 -0.173 -7.206 -1.117 156 HB2 GLN 20 HB2 GLN 20 -3.071 -6.380 -0.904 157 HB3 GLN 20 HB3 GLN 20 -1.768 -5.413 -1.580 158 HG2 GLN 20 HG2 GLN 20 -1.589 -6.746 -3.472 159 HG3 GLN 20 HG3 GLN 20 -2.431 -8.098 -2.714 160 HE21 GLN 20 HE21 GLN 20 -2.745 -5.692 -4.929 161 HE22 GLN 20 HE22 GLN 20 -4.467 -5.561 -4.940 162 H ILE 21 H ILE 21 0.817 -5.803 0.218 163 HA ILE 21 HA ILE 21 0.279 -5.819 3.006 164 HB ILE 21 HB ILE 21 1.987 -3.911 1.387 165 HG12 ILE 21 HG12 ILE 21 2.796 -6.377 2.947 166 HG13 ILE 21 HG13 ILE 21 2.619 -6.316 1.197 167 HG21 ILE 21 HG21 ILE 21 2.021 -4.468 4.354 168 HG22 ILE 21 HG22 ILE 21 1.389 -3.009 3.592 169 HG23 ILE 21 HG23 ILE 21 3.108 -3.385 3.486 170 HD11 ILE 21 HD11 ILE 21 4.903 -5.768 2.710 171 HD12 ILE 21 HD12 ILE 21 4.362 -4.217 2.069 172 HD13 ILE 21 HD13 ILE 21 4.682 -5.560 0.974 173 H TRP 22 H TRP 22 -1.032 -4.513 4.185 174 HA TRP 22 HA TRP 22 -2.761 -2.658 2.838 175 HB2 TRP 22 HB2 TRP 22 -2.465 -3.449 5.736 176 HB3 TRP 22 HB3 TRP 22 -3.612 -2.228 5.199 177 HD1 TRP 22 HD1 TRP 22 -2.851 -5.711 3.659 178 HE1 TRP 22 HE1 TRP 22 -5.079 -6.993 3.477 179 HE3 TRP 22 HE3 TRP 22 -5.941 -2.273 5.830 180 HZ2 TRP 22 HZ2 TRP 22 -7.784 -6.592 4.169 181 HZ3 TRP 22 HZ3 TRP 22 -8.335 -2.792 6.023 182 HH2 TRP 22 HH2 TRP 22 -9.237 -4.911 5.213 183 H ALA 23 H ALA 23 -0.416 -1.698 2.281 184 HA ALA 23 HA ALA 23 0.661 0.120 4.180 185 HB1 ALA 23 HB1 ALA 23 1.533 1.010 1.744 186 HB2 ALA 23 HB2 ALA 23 1.196 -0.690 1.425 187 HB3 ALA 23 HB3 ALA 23 2.314 -0.240 2.712 188 H THR 24 H THR 24 -0.470 1.834 4.876 189 HA THR 24 HA THR 24 -2.381 3.136 3.121 190 HB THR 24 HB THR 24 -1.577 3.847 5.949 191 HG1 THR 24 HG1 THR 24 -3.038 1.804 4.982 192 HG21 THR 24 HG21 THR 24 -4.006 4.649 4.339 193 HG22 THR 24 HG22 THR 24 -2.634 5.695 4.702 194 HG23 THR 24 HG23 THR 24 -3.664 5.107 6.007 195 H SER 25 H SER 25 -1.551 4.458 1.650 196 HA SER 25 HA SER 25 0.891 5.916 2.168 197 HB2 SER 25 HB2 SER 25 0.298 6.712 -0.270 198 HB3 SER 25 HB3 SER 25 0.938 5.095 0.020 199 HG SER 25 HG SER 25 -1.152 5.498 -1.286 200 H HIS 26 H HIS 26 1.075 8.159 2.232 201 HA HIS 26 HA HIS 26 -0.859 9.620 3.515 202 HB2 HIS 26 HB2 HIS 26 1.403 10.441 3.417 203 HB3 HIS 26 HB3 HIS 26 1.331 10.584 1.665 204 HD1 HIS 26 HD1 HIS 26 -0.544 12.043 4.649 205 HD2 HIS 26 HD2 HIS 26 0.815 13.112 0.871 206 HE1 HIS 26 HE1 HIS 26 -1.166 14.462 4.370 207 HE2 HIS 26 HE2 HIS 26 -0.443 15.051 2.029 208 H GLY 27 H GLY 27 -0.089 9.837 0.042 209 HA2 GLY 27 HA2 GLY 27 -2.451 11.379 -0.505 210 HA3 GLY 27 HA3 GLY 27 -1.308 10.760 -1.686 211 H CYS 28 H CYS 28 -3.174 8.956 0.722 212 HA CYS 28 HA CYS 28 -4.640 7.692 -1.492 213 HB2 CYS 28 HB2 CYS 28 -2.846 6.209 -0.706 214 HB3 CYS 28 HB3 CYS 28 -3.501 6.276 0.922 215 H LYS 29 H LYS 29 -6.742 7.478 -1.230 216 HA LYS 29 HA LYS 29 -8.109 8.844 0.818 217 HB2 LYS 29 HB2 LYS 29 -9.000 8.526 -1.454 218 HB3 LYS 29 HB3 LYS 29 -9.122 6.797 -1.167 219 HG2 LYS 29 HG2 LYS 29 -10.725 7.288 0.671 220 HG3 LYS 29 HG3 LYS 29 -10.688 8.982 0.181 221 HD2 LYS 29 HD2 LYS 29 -11.424 8.283 -2.084 222 HD3 LYS 29 HD3 LYS 29 -11.570 6.629 -1.487 223 HE2 LYS 29 HE2 LYS 29 -13.098 9.036 -0.502 224 HE3 LYS 29 HE3 LYS 29 -13.737 7.730 -1.493 225 HZ1 LYS 29 HZ1 LYS 29 -13.770 7.854 1.229 226 HZ2 LYS 29 HZ2 LYS 29 -12.523 6.765 0.902 227 HZ3 LYS 29 HZ3 LYS 29 -14.072 6.481 0.295 228 H MET 30 H MET 30 -7.008 5.596 0.477 229 HA MET 30 HA MET 30 -7.908 4.944 3.164 230 HB2 MET 30 HB2 MET 30 -8.626 3.219 0.775 231 HB3 MET 30 HB3 MET 30 -8.952 2.833 2.459 232 HG2 MET 30 HG2 MET 30 -10.553 4.556 2.647 233 HG3 MET 30 HG3 MET 30 -10.074 5.266 1.107 234 HE1 MET 30 HE1 MET 30 -10.809 4.349 -1.265 235 HE2 MET 30 HE2 MET 30 -11.434 2.717 -1.493 236 HE3 MET 30 HE3 MET 30 -9.804 2.956 -0.869 237 H TYR 31 H TYR 31 -7.340 2.027 2.133 238 HA TYR 31 HA TYR 31 -4.503 2.145 2.732 239 HB2 TYR 31 HB2 TYR 31 -6.292 -0.244 2.209 240 HB3 TYR 31 HB3 TYR 31 -4.616 -0.320 2.735 241 HD1 TYR 31 HD1 TYR 31 -8.016 0.727 3.748 242 HD2 TYR 31 HD2 TYR 31 -4.055 -0.154 5.018 243 HE1 TYR 31 HE1 TYR 31 -8.768 0.737 6.083 244 HE2 TYR 31 HE2 TYR 31 -4.795 -0.142 7.361 245 HH TYR 31 HH TYR 31 -6.496 0.510 8.751 246 H CYS 32 H CYS 32 -2.876 1.511 1.335 247 HA CYS 32 HA CYS 32 -3.676 1.309 -1.477 248 HB2 CYS 32 HB2 CYS 32 -1.928 3.073 -0.591 249 HB3 CYS 32 HB3 CYS 32 -0.824 1.700 -0.630 250 H CYS 33 H CYS 33 -3.138 -0.484 -2.614 251 HA CYS 33 HA CYS 33 -2.246 -2.760 -1.029 252 HB2 CYS 33 HB2 CYS 33 -3.510 -2.793 -3.772 253 HB3 CYS 33 HB3 CYS 33 -3.368 -4.130 -2.636 254 H LEU 34 H LEU 34 -0.436 -3.775 -1.406 255 HA LEU 34 HA LEU 34 0.991 -3.447 -3.928 256 HB2 LEU 34 HB2 LEU 34 2.130 -2.861 -1.194 257 HB3 LEU 34 HB3 LEU 34 3.117 -3.108 -2.616 258 HG LEU 34 HG LEU 34 1.015 -0.962 -2.545 259 HD11 LEU 34 HD11 LEU 34 3.852 -0.300 -1.970 260 HD12 LEU 34 HD12 LEU 34 2.863 -0.921 -0.649 261 HD13 LEU 34 HD13 LEU 34 2.375 0.541 -1.504 262 HD21 LEU 34 HD21 LEU 34 2.338 -0.001 -4.294 263 HD22 LEU 34 HD22 LEU 34 2.041 -1.693 -4.687 264 HD23 LEU 34 HD23 LEU 34 3.608 -1.200 -4.050 265 HA PRO 35 HA PRO 35 1.212 -7.851 -3.481 266 HB2 PRO 35 HB2 PRO 35 3.864 -7.471 -4.798 267 HB3 PRO 35 HB3 PRO 35 2.545 -8.567 -5.222 268 HG2 PRO 35 HG2 PRO 35 3.007 -6.332 -6.621 269 HG3 PRO 35 HG3 PRO 35 1.365 -6.931 -6.340 270 HD2 PRO 35 HD2 PRO 35 2.772 -4.620 -5.121 271 HD3 PRO 35 HD3 PRO 35 1.040 -4.862 -5.420 272 H ALA 36 H ALA 36 2.010 -9.149 -1.896 273 HA ALA 36 HA ALA 36 3.470 -8.210 0.237 274 HB1 ALA 36 HB1 ALA 36 3.928 -10.610 0.769 275 HB2 ALA 36 HB2 ALA 36 3.231 -11.034 -0.795 276 HB3 ALA 36 HB3 ALA 36 2.236 -10.252 0.433 277 H SER 37 H SER 37 4.564 -9.264 -2.844 278 HA SER 37 HA SER 37 7.274 -9.808 -2.197 279 HB2 SER 37 HB2 SER 37 6.192 -10.629 -4.259 280 HB3 SER 37 HB3 SER 37 6.046 -8.973 -4.839 281 HG SER 37 HG SER 37 8.286 -8.833 -4.936 282 H TRP 38 H TRP 38 5.503 -6.937 -3.132 283 HA TRP 38 HA TRP 38 7.372 -5.132 -3.878 284 HB2 TRP 38 HB2 TRP 38 5.060 -4.500 -3.726 285 HB3 TRP 38 HB3 TRP 38 5.062 -4.740 -1.985 286 HD1 TRP 38 HD1 TRP 38 6.954 -2.442 -4.491 287 HE1 TRP 38 HE1 TRP 38 7.178 -0.122 -3.396 288 HE3 TRP 38 HE3 TRP 38 4.779 -3.471 0.008 289 HZ2 TRP 38 HZ2 TRP 38 6.508 1.107 -0.930 290 HZ3 TRP 38 HZ3 TRP 38 4.605 -1.676 1.682 291 HH2 TRP 38 HH2 TRP 38 5.455 0.563 1.219 292 H LYS 39 H LYS 39 8.933 -3.910 -2.961 293 HA LYS 39 HA LYS 39 9.858 -4.741 -0.342 294 HB2 LYS 39 HB2 LYS 39 11.113 -2.958 -2.435 295 HB3 LYS 39 HB3 LYS 39 11.865 -3.353 -0.895 296 HG2 LYS 39 HG2 LYS 39 11.127 -5.321 -3.055 297 HG3 LYS 39 HG3 LYS 39 12.751 -4.732 -2.694 298 HD2 LYS 39 HD2 LYS 39 12.627 -5.724 -0.467 299 HD3 LYS 39 HD3 LYS 39 10.988 -6.282 -0.795 300 HE2 LYS 39 HE2 LYS 39 11.840 -7.675 -2.627 301 HE3 LYS 39 HE3 LYS 39 13.479 -7.133 -2.268 302 HZ1 LYS 39 HZ1 LYS 39 13.491 -8.274 -0.257 303 HZ2 LYS 39 HZ2 LYS 39 12.721 -9.350 -1.309 304 HZ3 LYS 39 HZ3 LYS 39 11.812 -8.444 -0.214 305 H TRP 40 H TRP 40 9.145 -3.780 1.361 306 HA TRP 40 HA TRP 40 7.950 -1.184 1.270 307 HB2 TRP 40 HB2 TRP 40 7.007 -2.960 2.662 308 HB3 TRP 40 HB3 TRP 40 8.499 -3.049 3.586 309 HD1 TRP 40 HD1 TRP 40 6.927 -2.577 5.753 310 HE1 TRP 40 HE1 TRP 40 6.133 -0.360 6.778 311 HE3 TRP 40 HE3 TRP 40 7.749 0.528 1.757 312 HZ2 TRP 40 HZ2 TRP 40 5.880 2.328 6.007 313 HZ3 TRP 40 HZ3 TRP 40 7.206 2.911 1.997 314 HH2 TRP 40 HH2 TRP 40 6.294 3.793 4.079 315 H LYS 41 H LYS 41 9.294 -1.159 4.221 316 HA LYS 41 HA LYS 41 11.193 0.874 3.529 317 HB2 LYS 41 HB2 LYS 41 10.417 -0.392 6.159 318 HB3 LYS 41 HB3 LYS 41 11.631 0.870 6.022 319 HG2 LYS 41 HG2 LYS 41 10.037 2.451 5.273 320 HG3 LYS 41 HG3 LYS 41 8.816 1.206 5.048 321 HD2 LYS 41 HD2 LYS 41 8.344 2.463 7.066 322 HD3 LYS 41 HD3 LYS 41 8.796 0.810 7.483 323 HE2 LYS 41 HE2 LYS 41 10.745 3.107 7.499 324 HE3 LYS 41 HE3 LYS 41 9.813 2.627 8.912 325 HZ1 LYS 41 HZ1 LYS 41 10.843 0.303 8.339 326 HZ2 LYS 41 HZ2 LYS 41 11.704 1.439 9.243 327 HZ3 LYS 41 HZ3 LYS 41 12.037 1.246 7.601 Start of MODEL 8 1 H1 LEU 1 H1 LEU 1 5.145 2.888 8.503 2 H2 LEU 1 H2 LEU 1 5.225 1.271 8.975 3 H3 LEU 1 H3 LEU 1 3.813 2.154 9.234 4 HA LEU 1 HA LEU 1 4.943 1.303 6.646 5 HB2 LEU 1 HB2 LEU 1 3.693 -0.336 8.083 6 HB3 LEU 1 HB3 LEU 1 2.292 0.708 7.964 7 HG LEU 1 HG LEU 1 2.192 0.337 5.551 8 HD11 LEU 1 HD11 LEU 1 3.657 -1.562 4.662 9 HD12 LEU 1 HD12 LEU 1 4.692 -1.236 6.052 10 HD13 LEU 1 HD13 LEU 1 4.396 0.026 4.857 11 HD21 LEU 1 HD21 LEU 1 1.111 -1.222 7.235 12 HD22 LEU 1 HD22 LEU 1 2.442 -2.332 6.912 13 HD23 LEU 1 HD23 LEU 1 1.348 -1.865 5.610 14 H VAL 2 H VAL 2 4.706 4.056 7.240 15 HA VAL 2 HA VAL 2 2.229 4.949 5.999 16 HB VAL 2 HB VAL 2 4.548 6.574 7.059 17 HG11 VAL 2 HG11 VAL 2 2.732 8.388 7.025 18 HG12 VAL 2 HG12 VAL 2 1.881 7.322 5.907 19 HG13 VAL 2 HG13 VAL 2 3.480 7.939 5.493 20 HG21 VAL 2 HG21 VAL 2 2.982 7.102 8.919 21 HG22 VAL 2 HG22 VAL 2 3.483 5.412 8.870 22 HG23 VAL 2 HG23 VAL 2 1.884 5.874 8.287 23 H LEU 3 H LEU 3 2.087 5.765 3.986 24 HA LEU 3 HA LEU 3 4.506 5.726 2.316 25 HB2 LEU 3 HB2 LEU 3 1.666 4.954 1.824 26 HB3 LEU 3 HB3 LEU 3 2.659 5.463 0.489 27 HG LEU 3 HG LEU 3 4.107 3.593 0.727 28 HD11 LEU 3 HD11 LEU 3 4.318 3.527 3.141 29 HD12 LEU 3 HD12 LEU 3 3.850 1.944 2.529 30 HD13 LEU 3 HD13 LEU 3 2.649 2.985 3.297 31 HD21 LEU 3 HD21 LEU 3 2.455 1.701 0.633 32 HD22 LEU 3 HD22 LEU 3 2.110 3.059 -0.438 33 HD23 LEU 3 HD23 LEU 3 1.208 2.876 1.065 34 H LYS 4 H LYS 4 5.065 7.564 1.362 35 HA LYS 4 HA LYS 4 3.701 10.010 1.767 36 HB2 LYS 4 HB2 LYS 4 5.872 9.141 -0.138 37 HB3 LYS 4 HB3 LYS 4 5.215 10.766 -0.180 38 HG2 LYS 4 HG2 LYS 4 7.256 10.736 1.099 39 HG3 LYS 4 HG3 LYS 4 5.893 11.074 2.165 40 HD2 LYS 4 HD2 LYS 4 7.315 9.506 3.271 41 HD3 LYS 4 HD3 LYS 4 5.859 8.654 2.766 42 HE2 LYS 4 HE2 LYS 4 7.799 7.289 2.314 43 HE3 LYS 4 HE3 LYS 4 7.066 7.804 0.796 44 HZ1 LYS 4 HZ1 LYS 4 9.159 8.371 0.296 45 HZ2 LYS 4 HZ2 LYS 4 9.654 8.448 1.909 46 HZ3 LYS 4 HZ3 LYS 4 8.842 9.752 1.210 47 H TYR 5 H TYR 5 3.563 7.477 -0.488 48 HA TYR 5 HA TYR 5 1.089 8.274 -1.604 49 HB2 TYR 5 HB2 TYR 5 1.816 8.585 -3.922 50 HB3 TYR 5 HB3 TYR 5 2.556 9.793 -2.884 51 HD1 TYR 5 HD1 TYR 5 3.169 6.668 -4.742 52 HD2 TYR 5 HD2 TYR 5 4.930 9.917 -2.630 53 HE1 TYR 5 HE1 TYR 5 5.380 6.005 -5.579 54 HE2 TYR 5 HE2 TYR 5 7.146 9.265 -3.474 55 HH TYR 5 HH TYR 5 7.890 7.821 -5.769 56 H CYS 6 H CYS 6 0.166 6.613 -2.768 57 HA CYS 6 HA CYS 6 1.187 4.020 -2.169 58 HB2 CYS 6 HB2 CYS 6 -1.235 4.646 -2.234 59 HB3 CYS 6 HB3 CYS 6 -1.116 4.763 -3.981 60 HA PRO 7 HA PRO 7 4.017 3.889 -5.658 61 HB2 PRO 7 HB2 PRO 7 3.592 0.978 -5.094 62 HB3 PRO 7 HB3 PRO 7 5.097 1.852 -5.407 63 HG2 PRO 7 HG2 PRO 7 4.439 1.170 -2.928 64 HG3 PRO 7 HG3 PRO 7 5.176 2.745 -3.262 65 HD2 PRO 7 HD2 PRO 7 2.351 2.079 -2.601 66 HD3 PRO 7 HD3 PRO 7 3.291 3.533 -2.214 67 H LYS 8 H LYS 8 3.646 3.745 -7.782 68 HA LYS 8 HA LYS 8 1.213 3.616 -8.942 69 HB2 LYS 8 HB2 LYS 8 3.343 4.262 -10.058 70 HB3 LYS 8 HB3 LYS 8 3.746 2.559 -10.204 71 HG2 LYS 8 HG2 LYS 8 1.780 2.211 -11.614 72 HG3 LYS 8 HG3 LYS 8 1.375 3.921 -11.463 73 HD2 LYS 8 HD2 LYS 8 2.477 3.820 -13.506 74 HD3 LYS 8 HD3 LYS 8 3.745 4.336 -12.397 75 HE2 LYS 8 HE2 LYS 8 3.277 1.510 -13.341 76 HE3 LYS 8 HE3 LYS 8 4.518 2.598 -13.952 77 HZ1 LYS 8 HZ1 LYS 8 4.349 1.271 -11.330 78 HZ2 LYS 8 HZ2 LYS 8 5.253 2.688 -11.504 79 HZ3 LYS 8 HZ3 LYS 8 5.637 1.320 -12.415 80 H ILE 9 H ILE 9 3.296 0.874 -8.226 81 HA ILE 9 HA ILE 9 1.807 -1.092 -9.585 82 HB ILE 9 HB ILE 9 4.106 -1.485 -8.865 83 HG12 ILE 9 HG12 ILE 9 2.147 -3.391 -7.557 84 HG13 ILE 9 HG13 ILE 9 2.638 -3.423 -9.248 85 HG21 ILE 9 HG21 ILE 9 3.827 -0.245 -6.682 86 HG22 ILE 9 HG22 ILE 9 4.768 -1.733 -6.609 87 HG23 ILE 9 HG23 ILE 9 3.100 -1.717 -6.039 88 HD11 ILE 9 HD11 ILE 9 3.804 -5.124 -8.009 89 HD12 ILE 9 HD12 ILE 9 4.401 -3.926 -6.862 90 HD13 ILE 9 HD13 ILE 9 4.945 -3.889 -8.539 91 H GLY 10 H GLY 10 1.586 0.192 -6.311 92 HA2 GLY 10 HA2 GLY 10 -0.221 -1.747 -5.327 93 HA3 GLY 10 HA3 GLY 10 0.073 -0.165 -4.629 94 H TYR 11 H TYR 11 -2.263 -0.479 -4.172 95 HA TYR 11 HA TYR 11 -3.830 0.984 -6.130 96 HB2 TYR 11 HB2 TYR 11 -4.864 -1.632 -5.015 97 HB3 TYR 11 HB3 TYR 11 -5.685 -0.575 -6.147 98 HD1 TYR 11 HD1 TYR 11 -2.654 -2.726 -5.821 99 HD2 TYR 11 HD2 TYR 11 -5.540 -1.001 -8.427 100 HE1 TYR 11 HE1 TYR 11 -1.785 -4.085 -7.675 101 HE2 TYR 11 HE2 TYR 11 -4.688 -2.362 -10.285 102 HH TYR 11 HH TYR 11 -1.788 -3.844 -10.308 103 H CYS 12 H CYS 12 -5.427 2.230 -5.108 104 HA CYS 12 HA CYS 12 -5.358 2.148 -2.177 105 HB2 CYS 12 HB2 CYS 12 -6.697 4.207 -3.946 106 HB3 CYS 12 HB3 CYS 12 -6.387 4.336 -2.223 107 H SER 13 H SER 13 -6.866 0.906 -1.227 108 HA SER 13 HA SER 13 -9.623 1.110 -2.104 109 HB2 SER 13 HB2 SER 13 -9.723 -1.496 -2.089 110 HB3 SER 13 HB3 SER 13 -9.125 -0.664 -3.524 111 HG SER 13 HG SER 13 -7.381 -1.536 -1.471 112 H ASN 14 H ASN 14 -11.132 0.144 -0.671 113 HA ASN 14 HA ASN 14 -10.745 0.759 1.999 114 HB2 ASN 14 HB2 ASN 14 -12.748 -1.284 1.058 115 HB3 ASN 14 HB3 ASN 14 -12.892 -0.151 2.396 116 HD21 ASN 14 HD21 ASN 14 -14.286 1.400 1.988 117 HD22 ASN 14 HD22 ASN 14 -14.564 2.141 0.450 118 H THR 15 H THR 15 -10.522 -2.394 0.406 119 HA THR 15 HA THR 15 -8.928 -3.384 2.621 120 HB THR 15 HB THR 15 -10.348 -5.464 2.789 121 HG1 THR 15 HG1 THR 15 -11.618 -4.373 0.772 122 HG21 THR 15 HG21 THR 15 -11.696 -4.591 4.473 123 HG22 THR 15 HG22 THR 15 -11.970 -3.082 3.606 124 HG23 THR 15 HG23 THR 15 -10.406 -3.397 4.355 125 H CYS 16 H CYS 16 -7.863 -5.438 2.103 126 HA CYS 16 HA CYS 16 -7.994 -6.331 -0.650 127 HB2 CYS 16 HB2 CYS 16 -5.557 -4.986 0.509 128 HB3 CYS 16 HB3 CYS 16 -5.545 -5.901 -0.994 129 H SER 17 H SER 17 -6.771 -8.230 -1.079 130 HA SER 17 HA SER 17 -6.917 -10.219 0.814 131 HB2 SER 17 HB2 SER 17 -4.876 -10.166 -1.417 132 HB3 SER 17 HB3 SER 17 -5.687 -11.569 -0.724 133 HG SER 17 HG SER 17 -6.500 -9.916 -2.720 134 H LYS 18 H LYS 18 -5.549 -11.048 2.351 135 HA LYS 18 HA LYS 18 -3.801 -9.469 3.735 136 HB2 LYS 18 HB2 LYS 18 -4.779 -11.769 4.341 137 HB3 LYS 18 HB3 LYS 18 -3.391 -12.448 3.512 138 HG2 LYS 18 HG2 LYS 18 -3.254 -10.585 5.876 139 HG3 LYS 18 HG3 LYS 18 -3.104 -12.339 5.951 140 HD2 LYS 18 HD2 LYS 18 -1.144 -12.115 4.369 141 HD3 LYS 18 HD3 LYS 18 -1.239 -10.376 4.638 142 HE2 LYS 18 HE2 LYS 18 -0.935 -10.731 7.039 143 HE3 LYS 18 HE3 LYS 18 -0.816 -12.468 6.761 144 HZ1 LYS 18 HZ1 LYS 18 1.060 -11.608 5.111 145 HZ2 LYS 18 HZ2 LYS 18 1.367 -11.974 6.731 146 HZ3 LYS 18 HZ3 LYS 18 1.135 -10.369 6.258 147 H THR 19 H THR 19 -3.041 -11.714 1.115 148 HA THR 19 HA THR 19 -0.311 -11.666 1.100 149 HB THR 19 HB THR 19 -0.669 -11.632 -1.532 150 HG1 THR 19 HG1 THR 19 -2.725 -11.929 -2.152 151 HG21 THR 19 HG21 THR 19 -1.795 -13.913 0.087 152 HG22 THR 19 HG22 THR 19 -0.069 -13.577 -0.033 153 HG23 THR 19 HG23 THR 19 -0.991 -13.990 -1.479 154 H GLN 20 H GLN 20 -2.533 -9.208 -0.088 155 HA GLN 20 HA GLN 20 -0.397 -7.497 -1.003 156 HB2 GLN 20 HB2 GLN 20 -3.369 -7.019 -0.710 157 HB3 GLN 20 HB3 GLN 20 -2.243 -5.838 -1.364 158 HG2 GLN 20 HG2 GLN 20 -1.683 -7.402 -3.175 159 HG3 GLN 20 HG3 GLN 20 -2.863 -8.544 -2.530 160 HE21 GLN 20 HE21 GLN 20 -2.436 -6.378 -4.892 161 HE22 GLN 20 HE22 GLN 20 -4.064 -5.844 -5.125 162 H ILE 21 H ILE 21 0.574 -5.923 0.167 163 HA ILE 21 HA ILE 21 0.113 -5.819 2.988 164 HB ILE 21 HB ILE 21 1.865 -4.097 1.224 165 HG12 ILE 21 HG12 ILE 21 2.513 -6.437 3.032 166 HG13 ILE 21 HG13 ILE 21 2.499 -6.469 1.274 167 HG21 ILE 21 HG21 ILE 21 1.084 -3.153 3.519 168 HG22 ILE 21 HG22 ILE 21 2.792 -3.084 3.097 169 HG23 ILE 21 HG23 ILE 21 2.204 -4.335 4.191 170 HD11 ILE 21 HD11 ILE 21 4.232 -4.394 2.325 171 HD12 ILE 21 HD12 ILE 21 4.563 -5.670 1.156 172 HD13 ILE 21 HD13 ILE 21 4.677 -6.006 2.882 173 H TRP 22 H TRP 22 -1.273 -4.578 4.053 174 HA TRP 22 HA TRP 22 -2.867 -2.593 2.690 175 HB2 TRP 22 HB2 TRP 22 -2.797 -3.528 5.565 176 HB3 TRP 22 HB3 TRP 22 -3.916 -2.314 4.960 177 HD1 TRP 22 HD1 TRP 22 -3.015 -5.664 3.250 178 HE1 TRP 22 HE1 TRP 22 -5.182 -7.025 2.979 179 HE3 TRP 22 HE3 TRP 22 -6.226 -2.522 5.647 180 HZ2 TRP 22 HZ2 TRP 22 -7.909 -6.780 3.698 181 HZ3 TRP 22 HZ3 TRP 22 -8.592 -3.137 5.802 182 HH2 TRP 22 HH2 TRP 22 -9.419 -5.230 4.853 183 H ALA 23 H ALA 23 -0.406 -1.716 2.416 184 HA ALA 23 HA ALA 23 0.683 -0.180 4.494 185 HB1 ALA 23 HB1 ALA 23 2.062 0.837 2.819 186 HB2 ALA 23 HB2 ALA 23 0.955 0.343 1.539 187 HB3 ALA 23 HB3 ALA 23 1.879 -0.871 2.425 188 H THR 24 H THR 24 0.282 1.820 5.238 189 HA THR 24 HA THR 24 -2.112 3.156 4.313 190 HB THR 24 HB THR 24 -0.159 3.870 6.519 191 HG1 THR 24 HG1 THR 24 -2.794 2.780 6.686 192 HG21 THR 24 HG21 THR 24 -1.837 5.435 7.310 193 HG22 THR 24 HG22 THR 24 -2.903 5.009 5.971 194 HG23 THR 24 HG23 THR 24 -1.380 5.840 5.656 195 H SER 25 H SER 25 -2.085 4.717 2.779 196 HA SER 25 HA SER 25 0.377 6.285 2.465 197 HB2 SER 25 HB2 SER 25 0.301 4.601 0.656 198 HB3 SER 25 HB3 SER 25 -1.267 5.214 0.170 199 HG SER 25 HG SER 25 1.152 6.690 0.225 200 H HIS 26 H HIS 26 0.065 8.432 2.300 201 HA HIS 26 HA HIS 26 -2.422 9.591 2.842 202 HB2 HIS 26 HB2 HIS 26 0.054 10.793 1.588 203 HB3 HIS 26 HB3 HIS 26 -1.347 11.738 2.079 204 HD1 HIS 26 HD1 HIS 26 0.881 12.743 3.524 205 HD2 HIS 26 HD2 HIS 26 -0.928 9.217 4.778 206 HE1 HIS 26 HE1 HIS 26 1.559 12.453 5.926 207 HE2 HIS 26 HE2 HIS 26 0.353 10.380 6.698 208 H GLY 27 H GLY 27 -0.813 8.771 -0.138 209 HA2 GLY 27 HA2 GLY 27 -2.719 10.103 -1.836 210 HA3 GLY 27 HA3 GLY 27 -1.439 9.018 -2.348 211 H CYS 28 H CYS 28 -3.947 8.307 0.013 212 HA CYS 28 HA CYS 28 -5.493 6.726 -1.854 213 HB2 CYS 28 HB2 CYS 28 -3.937 5.452 0.405 214 HB3 CYS 28 HB3 CYS 28 -5.312 4.678 -0.368 215 H LYS 29 H LYS 29 -7.585 6.923 -1.292 216 HA LYS 29 HA LYS 29 -8.425 8.332 0.995 217 HB2 LYS 29 HB2 LYS 29 -10.063 6.315 -0.556 218 HB3 LYS 29 HB3 LYS 29 -10.673 7.634 0.427 219 HG2 LYS 29 HG2 LYS 29 -9.882 9.255 -1.140 220 HG3 LYS 29 HG3 LYS 29 -9.047 8.011 -2.075 221 HD2 LYS 29 HD2 LYS 29 -11.212 6.937 -2.544 222 HD3 LYS 29 HD3 LYS 29 -12.026 8.226 -1.653 223 HE2 LYS 29 HE2 LYS 29 -11.123 9.870 -3.247 224 HE3 LYS 29 HE3 LYS 29 -10.366 8.558 -4.148 225 HZ1 LYS 29 HZ1 LYS 29 -12.267 8.659 -5.310 226 HZ2 LYS 29 HZ2 LYS 29 -13.142 9.381 -4.057 227 HZ3 LYS 29 HZ3 LYS 29 -12.883 7.710 -4.055 228 H MET 30 H MET 30 -8.184 4.936 0.215 229 HA MET 30 HA MET 30 -8.708 4.213 3.016 230 HB2 MET 30 HB2 MET 30 -8.858 2.507 0.521 231 HB3 MET 30 HB3 MET 30 -9.252 1.980 2.152 232 HG2 MET 30 HG2 MET 30 -10.690 4.148 0.642 233 HG3 MET 30 HG3 MET 30 -11.236 2.480 0.793 234 HE1 MET 30 HE1 MET 30 -13.175 5.274 2.228 235 HE2 MET 30 HE2 MET 30 -13.885 3.798 2.882 236 HE3 MET 30 HE3 MET 30 -13.269 3.825 1.229 237 H TYR 31 H TYR 31 -7.512 1.494 2.088 238 HA TYR 31 HA TYR 31 -4.820 2.104 2.969 239 HB2 TYR 31 HB2 TYR 31 -6.050 -0.564 2.227 240 HB3 TYR 31 HB3 TYR 31 -4.495 -0.325 3.008 241 HD1 TYR 31 HD1 TYR 31 -8.145 0.173 3.475 242 HD2 TYR 31 HD2 TYR 31 -4.347 -0.289 5.331 243 HE1 TYR 31 HE1 TYR 31 -9.251 -0.075 5.653 244 HE2 TYR 31 HE2 TYR 31 -5.443 -0.540 7.521 245 HH TYR 31 HH TYR 31 -8.060 0.383 8.395 246 H CYS 32 H CYS 32 -2.952 1.341 1.851 247 HA CYS 32 HA CYS 32 -3.250 1.369 -1.072 248 HB2 CYS 32 HB2 CYS 32 -1.698 3.074 -0.332 249 HB3 CYS 32 HB3 CYS 32 -0.846 1.927 0.689 250 H CYS 33 H CYS 33 -3.311 -0.565 -1.894 251 HA CYS 33 HA CYS 33 -2.147 -2.825 -0.466 252 HB2 CYS 33 HB2 CYS 33 -4.012 -2.906 -2.821 253 HB3 CYS 33 HB3 CYS 33 -3.715 -4.160 -1.617 254 H LEU 34 H LEU 34 -0.512 -3.965 -1.250 255 HA LEU 34 HA LEU 34 0.205 -3.758 -4.071 256 HB2 LEU 34 HB2 LEU 34 2.314 -3.497 -1.940 257 HB3 LEU 34 HB3 LEU 34 2.469 -3.207 -3.658 258 HG LEU 34 HG LEU 34 0.678 -1.315 -3.130 259 HD11 LEU 34 HD11 LEU 34 1.417 -0.277 -0.921 260 HD12 LEU 34 HD12 LEU 34 2.029 -1.882 -0.524 261 HD13 LEU 34 HD13 LEU 34 0.314 -1.650 -0.854 262 HD21 LEU 34 HD21 LEU 34 3.263 -0.350 -2.266 263 HD22 LEU 34 HD22 LEU 34 2.347 0.023 -3.724 264 HD23 LEU 34 HD23 LEU 34 3.392 -1.395 -3.680 265 HA PRO 35 HA PRO 35 0.539 -8.145 -3.864 266 HB2 PRO 35 HB2 PRO 35 3.150 -7.703 -5.251 267 HB3 PRO 35 HB3 PRO 35 1.836 -8.810 -5.659 268 HG2 PRO 35 HG2 PRO 35 2.207 -6.517 -6.994 269 HG3 PRO 35 HG3 PRO 35 0.590 -7.169 -6.682 270 HD2 PRO 35 HD2 PRO 35 1.948 -4.836 -5.473 271 HD3 PRO 35 HD3 PRO 35 0.215 -5.170 -5.650 272 H ALA 36 H ALA 36 1.514 -9.661 -2.555 273 HA ALA 36 HA ALA 36 2.975 -8.881 -0.340 274 HB1 ALA 36 HB1 ALA 36 3.522 -11.626 -1.225 275 HB2 ALA 36 HB2 ALA 36 1.811 -11.211 -1.146 276 HB3 ALA 36 HB3 ALA 36 2.826 -11.038 0.284 277 H SER 37 H SER 37 4.030 -9.902 -3.505 278 HA SER 37 HA SER 37 6.758 -10.296 -3.002 279 HB2 SER 37 HB2 SER 37 5.546 -9.235 -5.562 280 HB3 SER 37 HB3 SER 37 7.045 -10.151 -5.386 281 HG SER 37 HG SER 37 5.607 -11.848 -4.467 282 H TRP 38 H TRP 38 4.870 -7.434 -3.293 283 HA TRP 38 HA TRP 38 6.611 -5.481 -4.097 284 HB2 TRP 38 HB2 TRP 38 4.230 -5.113 -3.500 285 HB3 TRP 38 HB3 TRP 38 4.662 -5.287 -1.806 286 HD1 TRP 38 HD1 TRP 38 5.890 -2.993 -4.704 287 HE1 TRP 38 HE1 TRP 38 6.113 -0.609 -3.758 288 HE3 TRP 38 HE3 TRP 38 4.526 -3.910 0.127 289 HZ2 TRP 38 HZ2 TRP 38 5.751 0.708 -1.271 290 HZ3 TRP 38 HZ3 TRP 38 4.486 -2.045 1.727 291 HH2 TRP 38 HH2 TRP 38 5.088 0.217 1.038 292 H LYS 39 H LYS 39 8.272 -4.396 -3.229 293 HA LYS 39 HA LYS 39 9.398 -5.439 -0.741 294 HB2 LYS 39 HB2 LYS 39 10.650 -3.643 -2.831 295 HB3 LYS 39 HB3 LYS 39 11.469 -4.299 -1.422 296 HG2 LYS 39 HG2 LYS 39 10.363 -5.852 -3.748 297 HG3 LYS 39 HG3 LYS 39 12.064 -5.579 -3.363 298 HD2 LYS 39 HD2 LYS 39 11.764 -6.820 -1.259 299 HD3 LYS 39 HD3 LYS 39 10.080 -7.118 -1.690 300 HE2 LYS 39 HE2 LYS 39 11.375 -9.064 -2.232 301 HE3 LYS 39 HE3 LYS 39 10.856 -8.290 -3.725 302 HZ1 LYS 39 HZ1 LYS 39 13.244 -9.052 -3.603 303 HZ2 LYS 39 HZ2 LYS 39 13.507 -7.776 -2.531 304 HZ3 LYS 39 HZ3 LYS 39 12.995 -7.462 -4.110 305 H TRP 40 H TRP 40 9.097 -4.360 1.066 306 HA TRP 40 HA TRP 40 7.982 -1.719 0.963 307 HB2 TRP 40 HB2 TRP 40 7.127 -3.390 2.552 308 HB3 TRP 40 HB3 TRP 40 8.694 -3.437 3.343 309 HD1 TRP 40 HD1 TRP 40 7.488 -2.708 5.626 310 HE1 TRP 40 HE1 TRP 40 6.763 -0.408 6.511 311 HE3 TRP 40 HE3 TRP 40 7.608 -0.039 1.240 312 HZ2 TRP 40 HZ2 TRP 40 6.300 2.170 5.501 313 HZ3 TRP 40 HZ3 TRP 40 7.012 2.338 1.306 314 HH2 TRP 40 HH2 TRP 40 6.375 3.423 3.395 315 H LYS 41 H LYS 41 9.571 -1.481 3.728 316 HA LYS 41 HA LYS 41 11.669 0.159 2.567 317 HB2 LYS 41 HB2 LYS 41 10.710 -0.204 5.409 318 HB3 LYS 41 HB3 LYS 41 12.050 0.842 4.958 319 HG2 LYS 41 HG2 LYS 41 10.597 2.223 3.635 320 HG3 LYS 41 HG3 LYS 41 9.248 1.123 3.900 321 HD2 LYS 41 HD2 LYS 41 9.039 3.056 5.347 322 HD3 LYS 41 HD3 LYS 41 9.345 1.612 6.310 323 HE2 LYS 41 HE2 LYS 41 10.652 3.521 7.104 324 HE3 LYS 41 HE3 LYS 41 11.690 2.224 6.517 325 HZ1 LYS 41 HZ1 LYS 41 11.869 4.816 5.794 326 HZ2 LYS 41 HZ2 LYS 41 10.996 4.157 4.506 327 HZ3 LYS 41 HZ3 LYS 41 12.507 3.521 4.917 Start of MODEL 9 1 H1 LEU 1 H1 LEU 1 2.938 3.126 10.279 2 H2 LEU 1 H2 LEU 1 3.109 1.459 10.481 3 H3 LEU 1 H3 LEU 1 1.714 2.082 9.766 4 HA LEU 1 HA LEU 1 4.433 2.282 8.620 5 HB2 LEU 1 HB2 LEU 1 3.540 -0.015 8.716 6 HB3 LEU 1 HB3 LEU 1 2.077 0.520 7.918 7 HG LEU 1 HG LEU 1 4.814 0.616 6.663 8 HD11 LEU 1 HD11 LEU 1 4.216 -1.685 7.049 9 HD12 LEU 1 HD12 LEU 1 4.029 -1.317 5.335 10 HD13 LEU 1 HD13 LEU 1 2.609 -1.417 6.376 11 HD21 LEU 1 HD21 LEU 1 3.231 0.668 4.586 12 HD22 LEU 1 HD22 LEU 1 3.594 2.150 5.466 13 HD23 LEU 1 HD23 LEU 1 2.066 1.313 5.742 14 H VAL 2 H VAL 2 4.541 3.998 7.253 15 HA VAL 2 HA VAL 2 2.077 4.784 5.853 16 HB VAL 2 HB VAL 2 4.031 6.708 7.116 17 HG11 VAL 2 HG11 VAL 2 2.124 8.330 6.422 18 HG12 VAL 2 HG12 VAL 2 1.714 7.072 5.258 19 HG13 VAL 2 HG13 VAL 2 3.309 7.823 5.220 20 HG21 VAL 2 HG21 VAL 2 2.719 5.887 8.870 21 HG22 VAL 2 HG22 VAL 2 1.267 5.806 7.871 22 HG23 VAL 2 HG23 VAL 2 1.899 7.371 8.383 23 H LEU 3 H LEU 3 2.276 5.298 3.763 24 HA LEU 3 HA LEU 3 4.947 5.142 2.550 25 HB2 LEU 3 HB2 LEU 3 2.178 4.524 1.594 26 HB3 LEU 3 HB3 LEU 3 3.410 4.949 0.433 27 HG LEU 3 HG LEU 3 4.719 3.031 0.979 28 HD11 LEU 3 HD11 LEU 3 2.759 2.555 3.216 29 HD12 LEU 3 HD12 LEU 3 4.456 3.003 3.378 30 HD13 LEU 3 HD13 LEU 3 4.022 1.430 2.710 31 HD21 LEU 3 HD21 LEU 3 2.835 1.214 0.770 32 HD22 LEU 3 HD22 LEU 3 3.167 2.331 -0.554 33 HD23 LEU 3 HD23 LEU 3 1.804 2.627 0.527 34 H LYS 4 H LYS 4 5.770 6.861 1.467 35 HA LYS 4 HA LYS 4 4.786 9.440 1.747 36 HB2 LYS 4 HB2 LYS 4 6.616 8.234 -0.270 37 HB3 LYS 4 HB3 LYS 4 6.248 9.943 -0.284 38 HG2 LYS 4 HG2 LYS 4 7.449 8.495 2.060 39 HG3 LYS 4 HG3 LYS 4 8.386 9.339 0.827 40 HD2 LYS 4 HD2 LYS 4 7.183 11.417 1.369 41 HD3 LYS 4 HD3 LYS 4 6.313 10.563 2.644 42 HE2 LYS 4 HE2 LYS 4 8.362 10.156 3.837 43 HE3 LYS 4 HE3 LYS 4 9.311 10.839 2.515 44 HZ1 LYS 4 HZ1 LYS 4 8.283 12.177 4.698 45 HZ2 LYS 4 HZ2 LYS 4 7.354 12.686 3.382 46 HZ3 LYS 4 HZ3 LYS 4 9.034 12.855 3.346 47 H TYR 5 H TYR 5 4.198 6.991 -0.588 48 HA TYR 5 HA TYR 5 1.754 8.058 -1.485 49 HB2 TYR 5 HB2 TYR 5 2.629 8.251 -3.945 50 HB3 TYR 5 HB3 TYR 5 2.812 9.614 -2.849 51 HD1 TYR 5 HD1 TYR 5 4.614 6.784 -4.420 52 HD2 TYR 5 HD2 TYR 5 4.949 10.432 -2.254 53 HE1 TYR 5 HE1 TYR 5 7.033 6.821 -4.855 54 HE2 TYR 5 HE2 TYR 5 7.364 10.481 -2.689 55 HH TYR 5 HH TYR 5 9.019 7.787 -4.205 56 H CYS 6 H CYS 6 0.607 6.555 -2.672 57 HA CYS 6 HA CYS 6 1.439 3.862 -2.355 58 HB2 CYS 6 HB2 CYS 6 -0.927 4.760 -2.247 59 HB3 CYS 6 HB3 CYS 6 -0.886 4.871 -4.000 60 HA PRO 7 HA PRO 7 3.881 3.618 -6.117 61 HB2 PRO 7 HB2 PRO 7 3.458 0.716 -5.606 62 HB3 PRO 7 HB3 PRO 7 4.959 1.596 -5.897 63 HG2 PRO 7 HG2 PRO 7 4.326 0.753 -3.457 64 HG3 PRO 7 HG3 PRO 7 5.112 2.324 -3.703 65 HD2 PRO 7 HD2 PRO 7 2.256 1.706 -3.083 66 HD3 PRO 7 HD3 PRO 7 3.268 3.057 -2.532 67 H LYS 8 H LYS 8 3.192 3.615 -8.167 68 HA LYS 8 HA LYS 8 0.618 3.386 -8.976 69 HB2 LYS 8 HB2 LYS 8 1.407 3.160 -11.266 70 HB3 LYS 8 HB3 LYS 8 2.351 4.342 -10.382 71 HG2 LYS 8 HG2 LYS 8 3.284 1.517 -10.675 72 HG3 LYS 8 HG3 LYS 8 3.559 2.713 -11.936 73 HD2 LYS 8 HD2 LYS 8 4.466 2.956 -9.066 74 HD3 LYS 8 HD3 LYS 8 5.488 2.492 -10.424 75 HE2 LYS 8 HE2 LYS 8 4.097 5.135 -10.022 76 HE3 LYS 8 HE3 LYS 8 5.826 4.824 -9.921 77 HZ1 LYS 8 HZ1 LYS 8 5.906 5.353 -12.057 78 HZ2 LYS 8 HZ2 LYS 8 4.225 5.352 -12.214 79 HZ3 LYS 8 HZ3 LYS 8 5.095 3.913 -12.396 80 H ILE 9 H ILE 9 2.913 0.743 -8.675 81 HA ILE 9 HA ILE 9 1.484 -1.210 -10.083 82 HB ILE 9 HB ILE 9 3.814 -1.518 -9.306 83 HG12 ILE 9 HG12 ILE 9 1.892 -3.642 -8.320 84 HG13 ILE 9 HG13 ILE 9 2.463 -3.465 -9.975 85 HG21 ILE 9 HG21 ILE 9 3.091 -0.608 -6.936 86 HG22 ILE 9 HG22 ILE 9 4.446 -1.720 -7.120 87 HG23 ILE 9 HG23 ILE 9 2.871 -2.323 -6.603 88 HD11 ILE 9 HD11 ILE 9 3.885 -4.477 -7.574 89 HD12 ILE 9 HD12 ILE 9 4.818 -3.694 -8.849 90 HD13 ILE 9 HD13 ILE 9 3.841 -5.114 -9.216 91 H GLY 10 H GLY 10 1.211 -0.069 -6.771 92 HA2 GLY 10 HA2 GLY 10 -0.656 -2.089 -5.969 93 HA3 GLY 10 HA3 GLY 10 -0.236 -0.637 -5.078 94 H TYR 11 H TYR 11 -2.521 -0.637 -4.565 95 HA TYR 11 HA TYR 11 -3.982 1.092 -6.374 96 HB2 TYR 11 HB2 TYR 11 -5.336 -1.438 -5.425 97 HB3 TYR 11 HB3 TYR 11 -5.944 -0.254 -6.573 98 HD1 TYR 11 HD1 TYR 11 -3.320 -2.847 -6.111 99 HD2 TYR 11 HD2 TYR 11 -5.595 -0.546 -8.875 100 HE1 TYR 11 HE1 TYR 11 -2.459 -4.224 -7.955 101 HE2 TYR 11 HE2 TYR 11 -4.745 -1.919 -10.728 102 HH TYR 11 HH TYR 11 -2.355 -4.485 -10.170 103 H CYS 12 H CYS 12 -5.585 2.305 -5.251 104 HA CYS 12 HA CYS 12 -5.293 2.203 -2.343 105 HB2 CYS 12 HB2 CYS 12 -6.785 4.224 -4.033 106 HB3 CYS 12 HB3 CYS 12 -6.374 4.379 -2.332 107 H SER 13 H SER 13 -6.784 1.158 -1.136 108 HA SER 13 HA SER 13 -9.578 1.198 -1.950 109 HB2 SER 13 HB2 SER 13 -8.224 -1.454 -1.434 110 HB3 SER 13 HB3 SER 13 -9.854 -1.172 -2.046 111 HG SER 13 HG SER 13 -7.436 -1.169 -3.366 112 H ASN 14 H ASN 14 -11.030 0.444 -0.313 113 HA ASN 14 HA ASN 14 -10.433 1.324 2.276 114 HB2 ASN 14 HB2 ASN 14 -12.592 0.615 2.876 115 HB3 ASN 14 HB3 ASN 14 -12.738 0.941 1.150 116 HD21 ASN 14 HD21 ASN 14 -13.751 -1.104 3.385 117 HD22 ASN 14 HD22 ASN 14 -13.852 -2.570 2.474 118 H THR 15 H THR 15 -10.055 -1.741 0.729 119 HA THR 15 HA THR 15 -8.645 -2.771 3.049 120 HB THR 15 HB THR 15 -9.883 -4.943 2.895 121 HG1 THR 15 HG1 THR 15 -11.689 -3.361 1.342 122 HG21 THR 15 HG21 THR 15 -11.744 -4.248 4.253 123 HG22 THR 15 HG22 THR 15 -11.648 -2.608 3.618 124 HG23 THR 15 HG23 THR 15 -10.359 -3.232 4.643 125 H CYS 16 H CYS 16 -7.106 -4.312 2.520 126 HA CYS 16 HA CYS 16 -6.654 -4.672 -0.361 127 HB2 CYS 16 HB2 CYS 16 -4.679 -4.637 1.927 128 HB3 CYS 16 HB3 CYS 16 -4.266 -4.915 0.237 129 H SER 17 H SER 17 -6.107 -6.653 -1.182 130 HA SER 17 HA SER 17 -7.223 -8.919 0.012 131 HB2 SER 17 HB2 SER 17 -5.054 -8.954 -2.090 132 HB3 SER 17 HB3 SER 17 -6.349 -10.125 -1.848 133 HG SER 17 HG SER 17 -7.514 -7.787 -2.178 134 H LYS 18 H LYS 18 -6.274 -10.717 1.042 135 HA LYS 18 HA LYS 18 -4.391 -10.259 2.960 136 HB2 LYS 18 HB2 LYS 18 -4.955 -12.873 1.558 137 HB3 LYS 18 HB3 LYS 18 -4.052 -12.722 3.058 138 HG2 LYS 18 HG2 LYS 18 -6.069 -11.682 4.088 139 HG3 LYS 18 HG3 LYS 18 -6.947 -12.051 2.604 140 HD2 LYS 18 HD2 LYS 18 -6.454 -14.434 2.914 141 HD3 LYS 18 HD3 LYS 18 -5.595 -14.054 4.406 142 HE2 LYS 18 HE2 LYS 18 -7.695 -13.098 5.314 143 HE3 LYS 18 HE3 LYS 18 -8.525 -13.619 3.849 144 HZ1 LYS 18 HZ1 LYS 18 -8.703 -15.149 5.806 145 HZ2 LYS 18 HZ2 LYS 18 -7.061 -15.494 5.610 146 HZ3 LYS 18 HZ3 LYS 18 -8.156 -15.866 4.380 147 H THR 19 H THR 19 -3.819 -11.460 -0.310 148 HA THR 19 HA THR 19 -0.986 -11.680 0.102 149 HB THR 19 HB THR 19 -2.401 -11.644 -2.564 150 HG1 THR 19 HG1 THR 19 -3.435 -13.328 -1.769 151 HG21 THR 19 HG21 THR 19 -0.159 -11.741 -3.053 152 HG22 THR 19 HG22 THR 19 -0.490 -13.458 -2.835 153 HG23 THR 19 HG23 THR 19 0.249 -12.531 -1.531 154 H GLN 20 H GLN 20 -1.976 -9.140 0.777 155 HA GLN 20 HA GLN 20 -0.258 -7.483 -0.848 156 HB2 GLN 20 HB2 GLN 20 -3.173 -6.755 -0.470 157 HB3 GLN 20 HB3 GLN 20 -1.950 -5.733 -1.204 158 HG2 GLN 20 HG2 GLN 20 -1.708 -7.323 -3.035 159 HG3 GLN 20 HG3 GLN 20 -2.923 -8.365 -2.292 160 HE21 GLN 20 HE21 GLN 20 -2.533 -6.293 -4.720 161 HE22 GLN 20 HE22 GLN 20 -4.119 -5.615 -4.813 162 H ILE 21 H ILE 21 0.601 -5.799 0.331 163 HA ILE 21 HA ILE 21 0.288 -5.939 3.178 164 HB ILE 21 HB ILE 21 1.834 -3.962 1.490 165 HG12 ILE 21 HG12 ILE 21 2.735 -6.423 3.009 166 HG13 ILE 21 HG13 ILE 21 2.638 -6.267 1.257 167 HG21 ILE 21 HG21 ILE 21 2.243 -4.483 4.422 168 HG22 ILE 21 HG22 ILE 21 1.162 -3.221 3.837 169 HG23 ILE 21 HG23 ILE 21 2.877 -3.163 3.441 170 HD11 ILE 21 HD11 ILE 21 4.719 -5.534 1.234 171 HD12 ILE 21 HD12 ILE 21 4.789 -5.616 2.992 172 HD13 ILE 21 HD13 ILE 21 4.240 -4.141 2.201 173 H TRP 22 H TRP 22 -1.040 -4.789 4.433 174 HA TRP 22 HA TRP 22 -2.851 -2.865 3.276 175 HB2 TRP 22 HB2 TRP 22 -2.485 -3.900 6.092 176 HB3 TRP 22 HB3 TRP 22 -3.675 -2.677 5.668 177 HD1 TRP 22 HD1 TRP 22 -2.798 -6.224 4.304 178 HE1 TRP 22 HE1 TRP 22 -5.024 -7.466 3.913 179 HE3 TRP 22 HE3 TRP 22 -6.033 -2.539 5.717 180 HZ2 TRP 22 HZ2 TRP 22 -7.787 -6.938 4.169 181 HZ3 TRP 22 HZ3 TRP 22 -8.448 -2.978 5.610 182 HH2 TRP 22 HH2 TRP 22 -9.306 -5.135 4.855 183 H ALA 23 H ALA 23 -0.481 -1.842 2.808 184 HA ALA 23 HA ALA 23 0.520 -0.177 4.907 185 HB1 ALA 23 HB1 ALA 23 1.743 0.868 2.847 186 HB2 ALA 23 HB2 ALA 23 1.125 -0.555 2.012 187 HB3 ALA 23 HB3 ALA 23 2.176 -0.743 3.416 188 H THR 24 H THR 24 -0.131 1.816 5.469 189 HA THR 24 HA THR 24 -2.270 3.063 3.969 190 HB THR 24 HB THR 24 -1.908 4.859 5.860 191 HG1 THR 24 HG1 THR 24 0.049 3.987 6.648 192 HG21 THR 24 HG21 THR 24 -3.374 3.592 7.342 193 HG22 THR 24 HG22 THR 24 -2.968 2.100 6.495 194 HG23 THR 24 HG23 THR 24 -3.863 3.372 5.663 195 H SER 25 H SER 25 -1.930 4.521 2.422 196 HA SER 25 HA SER 25 0.744 5.684 2.154 197 HB2 SER 25 HB2 SER 25 -0.097 6.232 -0.176 198 HB3 SER 25 HB3 SER 25 0.085 4.516 0.197 199 HG SER 25 HG SER 25 -1.907 4.839 -0.768 200 H HIS 26 H HIS 26 1.038 7.876 1.711 201 HA HIS 26 HA HIS 26 -0.900 9.629 2.956 202 HB2 HIS 26 HB2 HIS 26 1.592 9.798 3.327 203 HB3 HIS 26 HB3 HIS 26 1.749 10.327 1.657 204 HD1 HIS 26 HD1 HIS 26 0.303 12.652 1.138 205 HD2 HIS 26 HD2 HIS 26 1.274 11.804 5.087 206 HE1 HIS 26 HE1 HIS 26 0.080 14.826 2.371 207 HE2 HIS 26 HE2 HIS 26 0.849 14.324 4.710 208 H GLY 27 H GLY 27 -1.845 8.396 0.601 209 HA2 GLY 27 HA2 GLY 27 -2.804 10.626 -0.837 210 HA3 GLY 27 HA3 GLY 27 -1.496 9.888 -1.743 211 H CYS 28 H CYS 28 -3.868 8.215 0.253 212 HA CYS 28 HA CYS 28 -5.108 7.115 -2.173 213 HB2 CYS 28 HB2 CYS 28 -3.957 5.617 0.149 214 HB3 CYS 28 HB3 CYS 28 -5.353 4.961 -0.687 215 H LYS 29 H LYS 29 -7.298 6.736 -2.056 216 HA LYS 29 HA LYS 29 -8.886 8.274 -0.406 217 HB2 LYS 29 HB2 LYS 29 -9.566 5.631 -1.712 218 HB3 LYS 29 HB3 LYS 29 -10.749 6.737 -1.031 219 HG2 LYS 29 HG2 LYS 29 -10.156 8.426 -2.664 220 HG3 LYS 29 HG3 LYS 29 -8.899 7.379 -3.320 221 HD2 LYS 29 HD2 LYS 29 -11.828 6.673 -3.248 222 HD3 LYS 29 HD3 LYS 29 -11.017 7.389 -4.641 223 HE2 LYS 29 HE2 LYS 29 -9.577 5.470 -4.848 224 HE3 LYS 29 HE3 LYS 29 -10.220 4.779 -3.359 225 HZ1 LYS 29 HZ1 LYS 29 -11.245 3.710 -5.210 226 HZ2 LYS 29 HZ2 LYS 29 -11.688 5.187 -5.903 227 HZ3 LYS 29 HZ3 LYS 29 -12.408 4.680 -4.462 228 H MET 30 H MET 30 -7.617 5.064 0.046 229 HA MET 30 HA MET 30 -8.262 5.168 2.882 230 HB2 MET 30 HB2 MET 30 -9.044 2.886 1.058 231 HB3 MET 30 HB3 MET 30 -9.050 2.789 2.813 232 HG2 MET 30 HG2 MET 30 -10.700 4.694 1.169 233 HG3 MET 30 HG3 MET 30 -11.280 3.188 1.874 234 HE1 MET 30 HE1 MET 30 -10.979 3.943 5.714 235 HE2 MET 30 HE2 MET 30 -9.734 3.215 4.702 236 HE3 MET 30 HE3 MET 30 -11.422 2.748 4.496 237 H TYR 31 H TYR 31 -7.443 2.047 2.060 238 HA TYR 31 HA TYR 31 -4.708 2.448 2.943 239 HB2 TYR 31 HB2 TYR 31 -6.114 -0.126 2.188 240 HB3 TYR 31 HB3 TYR 31 -4.560 0.010 2.995 241 HD1 TYR 31 HD1 TYR 31 -8.141 0.963 3.443 242 HD2 TYR 31 HD2 TYR 31 -4.484 -0.168 5.297 243 HE1 TYR 31 HE1 TYR 31 -9.291 0.820 5.604 244 HE2 TYR 31 HE2 TYR 31 -5.627 -0.315 7.469 245 HH TYR 31 HH TYR 31 -7.839 -0.602 8.371 246 H CYS 32 H CYS 32 -2.910 1.459 1.817 247 HA CYS 32 HA CYS 32 -3.213 1.599 -1.104 248 HB2 CYS 32 HB2 CYS 32 -1.510 3.121 -0.284 249 HB3 CYS 32 HB3 CYS 32 -0.752 1.845 0.650 250 H CYS 33 H CYS 33 -3.216 -0.265 -2.136 251 HA CYS 33 HA CYS 33 -2.410 -2.673 -0.694 252 HB2 CYS 33 HB2 CYS 33 -4.031 -2.422 -3.237 253 HB3 CYS 33 HB3 CYS 33 -3.814 -3.873 -2.263 254 H LEU 34 H LEU 34 -0.733 -3.825 -1.297 255 HA LEU 34 HA LEU 34 0.409 -3.507 -3.964 256 HB2 LEU 34 HB2 LEU 34 1.930 -3.171 -1.377 257 HB3 LEU 34 HB3 LEU 34 2.681 -3.323 -2.950 258 HG LEU 34 HG LEU 34 0.719 -1.120 -2.394 259 HD11 LEU 34 HD11 LEU 34 3.651 -0.674 -2.127 260 HD12 LEU 34 HD12 LEU 34 2.746 -1.284 -0.743 261 HD13 LEU 34 HD13 LEU 34 2.306 0.258 -1.473 262 HD21 LEU 34 HD21 LEU 34 1.567 -1.813 -4.709 263 HD22 LEU 34 HD22 LEU 34 3.103 -1.117 -4.202 264 HD23 LEU 34 HD23 LEU 34 1.659 -0.108 -4.270 265 HA PRO 35 HA PRO 35 0.514 -7.914 -3.926 266 HB2 PRO 35 HB2 PRO 35 3.240 -7.520 -5.074 267 HB3 PRO 35 HB3 PRO 35 1.910 -8.521 -5.659 268 HG2 PRO 35 HG2 PRO 35 2.539 -6.155 -6.784 269 HG3 PRO 35 HG3 PRO 35 0.882 -6.772 -6.723 270 HD2 PRO 35 HD2 PRO 35 2.118 -4.553 -5.235 271 HD3 PRO 35 HD3 PRO 35 0.407 -4.866 -5.583 272 H ALA 36 H ALA 36 1.193 -9.412 -2.467 273 HA ALA 36 HA ALA 36 2.589 -8.754 -0.182 274 HB1 ALA 36 HB1 ALA 36 2.905 -11.210 0.137 275 HB2 ALA 36 HB2 ALA 36 2.276 -11.451 -1.491 276 HB3 ALA 36 HB3 ALA 36 1.249 -10.741 -0.247 277 H SER 37 H SER 37 3.767 -9.764 -3.283 278 HA SER 37 HA SER 37 6.402 -10.461 -2.616 279 HB2 SER 37 HB2 SER 37 5.481 -11.010 -4.795 280 HB3 SER 37 HB3 SER 37 5.245 -9.304 -5.168 281 HG SER 37 HG SER 37 7.670 -10.748 -4.939 282 H TRP 38 H TRP 38 4.844 -7.397 -3.212 283 HA TRP 38 HA TRP 38 6.922 -5.678 -3.638 284 HB2 TRP 38 HB2 TRP 38 4.535 -5.032 -3.616 285 HB3 TRP 38 HB3 TRP 38 4.526 -5.190 -1.866 286 HD1 TRP 38 HD1 TRP 38 6.424 -3.073 -4.520 287 HE1 TRP 38 HE1 TRP 38 6.784 -0.723 -3.528 288 HE3 TRP 38 HE3 TRP 38 4.419 -3.837 0.113 289 HZ2 TRP 38 HZ2 TRP 38 6.286 0.624 -1.079 290 HZ3 TRP 38 HZ3 TRP 38 4.400 -1.977 1.721 291 HH2 TRP 38 HH2 TRP 38 5.316 0.206 1.133 292 H LYS 39 H LYS 39 8.664 -5.088 -2.515 293 HA LYS 39 HA LYS 39 8.925 -6.002 0.224 294 HB2 LYS 39 HB2 LYS 39 11.282 -4.962 -0.041 295 HB3 LYS 39 HB3 LYS 39 10.905 -6.456 -0.878 296 HG2 LYS 39 HG2 LYS 39 12.168 -4.986 -2.306 297 HG3 LYS 39 HG3 LYS 39 10.540 -5.196 -2.947 298 HD2 LYS 39 HD2 LYS 39 9.886 -3.046 -2.253 299 HD3 LYS 39 HD3 LYS 39 11.303 -2.856 -1.218 300 HE2 LYS 39 HE2 LYS 39 12.721 -2.882 -3.247 301 HE3 LYS 39 HE3 LYS 39 11.266 -2.978 -4.233 302 HZ1 LYS 39 HZ1 LYS 39 12.006 -0.720 -4.125 303 HZ2 LYS 39 HZ2 LYS 39 12.035 -0.749 -2.437 304 HZ3 LYS 39 HZ3 LYS 39 10.563 -0.846 -3.258 305 H TRP 40 H TRP 40 8.799 -4.778 1.966 306 HA TRP 40 HA TRP 40 7.845 -2.095 1.623 307 HB2 TRP 40 HB2 TRP 40 6.725 -3.600 3.182 308 HB3 TRP 40 HB3 TRP 40 8.203 -3.746 4.123 309 HD1 TRP 40 HD1 TRP 40 6.793 -2.846 6.234 310 HE1 TRP 40 HE1 TRP 40 6.232 -0.456 6.988 311 HE3 TRP 40 HE3 TRP 40 7.704 -0.342 1.848 312 HZ2 TRP 40 HZ2 TRP 40 6.173 2.128 5.889 313 HZ3 TRP 40 HZ3 TRP 40 7.371 2.087 1.800 314 HH2 TRP 40 HH2 TRP 40 6.624 3.299 3.779 315 H LYS 41 H LYS 41 9.140 -1.813 4.532 316 HA LYS 41 HA LYS 41 11.582 -0.538 3.513 317 HB2 LYS 41 HB2 LYS 41 11.422 0.974 5.419 318 HB3 LYS 41 HB3 LYS 41 9.933 1.004 4.490 319 HG2 LYS 41 HG2 LYS 41 8.924 -0.537 6.145 320 HG3 LYS 41 HG3 LYS 41 10.398 -0.423 7.099 321 HD2 LYS 41 HD2 LYS 41 8.625 1.901 6.352 322 HD3 LYS 41 HD3 LYS 41 8.626 1.085 7.915 323 HE2 LYS 41 HE2 LYS 41 11.001 2.489 6.698 324 HE3 LYS 41 HE3 LYS 41 9.924 3.194 7.899 325 HZ1 LYS 41 HZ1 LYS 41 10.551 1.394 9.415 326 HZ2 LYS 41 HZ2 LYS 41 11.880 2.331 8.959 327 HZ3 LYS 41 HZ3 LYS 41 11.646 0.805 8.272 Start of MODEL 10 1 H1 LEU 1 H1 LEU 1 2.412 1.793 9.929 2 H2 LEU 1 H2 LEU 1 3.664 2.909 10.111 3 H3 LEU 1 H3 LEU 1 3.973 1.257 10.264 4 HA LEU 1 HA LEU 1 4.762 1.980 8.147 5 HB2 LEU 1 HB2 LEU 1 3.685 -0.248 8.443 6 HB3 LEU 1 HB3 LEU 1 2.161 0.447 7.934 7 HG LEU 1 HG LEU 1 4.622 0.296 6.202 8 HD11 LEU 1 HD11 LEU 1 3.608 -1.551 5.080 9 HD12 LEU 1 HD12 LEU 1 2.150 -1.413 6.061 10 HD13 LEU 1 HD13 LEU 1 3.666 -1.926 6.802 11 HD21 LEU 1 HD21 LEU 1 2.806 0.646 4.418 12 HD22 LEU 1 HD22 LEU 1 3.348 2.039 5.351 13 HD23 LEU 1 HD23 LEU 1 1.824 1.249 5.750 14 H VAL 2 H VAL 2 4.702 3.924 7.166 15 HA VAL 2 HA VAL 2 2.121 4.817 6.079 16 HB VAL 2 HB VAL 2 4.139 6.638 7.398 17 HG11 VAL 2 HG11 VAL 2 1.544 7.174 5.970 18 HG12 VAL 2 HG12 VAL 2 3.142 7.830 5.614 19 HG13 VAL 2 HG13 VAL 2 2.288 8.332 7.073 20 HG21 VAL 2 HG21 VAL 2 2.982 5.470 9.112 21 HG22 VAL 2 HG22 VAL 2 1.434 5.654 8.285 22 HG23 VAL 2 HG23 VAL 2 2.233 7.061 8.989 23 H LEU 3 H LEU 3 2.179 5.293 4.014 24 HA LEU 3 HA LEU 3 4.758 5.508 2.637 25 HB2 LEU 3 HB2 LEU 3 1.985 4.754 1.766 26 HB3 LEU 3 HB3 LEU 3 3.199 5.216 0.603 27 HG LEU 3 HG LEU 3 4.558 3.320 1.155 28 HD11 LEU 3 HD11 LEU 3 2.524 2.667 3.282 29 HD12 LEU 3 HD12 LEU 3 4.146 3.288 3.577 30 HD13 LEU 3 HD13 LEU 3 3.931 1.699 2.845 31 HD21 LEU 3 HD21 LEU 3 1.646 2.840 0.684 32 HD22 LEU 3 HD22 LEU 3 2.768 1.481 0.795 33 HD23 LEU 3 HD23 LEU 3 2.999 2.713 -0.444 34 H LYS 4 H LYS 4 5.143 7.211 1.198 35 HA LYS 4 HA LYS 4 3.880 9.691 1.826 36 HB2 LYS 4 HB2 LYS 4 6.245 9.573 1.193 37 HB3 LYS 4 HB3 LYS 4 5.768 8.991 -0.384 38 HG2 LYS 4 HG2 LYS 4 6.366 11.359 -0.426 39 HG3 LYS 4 HG3 LYS 4 4.683 11.092 -0.886 40 HD2 LYS 4 HD2 LYS 4 3.967 11.696 1.372 41 HD3 LYS 4 HD3 LYS 4 5.649 11.947 1.839 42 HE2 LYS 4 HE2 LYS 4 5.859 13.759 0.264 43 HE3 LYS 4 HE3 LYS 4 4.230 13.463 -0.344 44 HZ1 LYS 4 HZ1 LYS 4 4.379 15.328 1.241 45 HZ2 LYS 4 HZ2 LYS 4 4.849 14.243 2.449 46 HZ3 LYS 4 HZ3 LYS 4 3.318 14.116 1.747 47 H TYR 5 H TYR 5 3.671 7.292 -0.644 48 HA TYR 5 HA TYR 5 1.095 8.170 -1.521 49 HB2 TYR 5 HB2 TYR 5 1.773 8.518 -3.896 50 HB3 TYR 5 HB3 TYR 5 2.427 9.741 -2.814 51 HD1 TYR 5 HD1 TYR 5 3.304 6.581 -4.569 52 HD2 TYR 5 HD2 TYR 5 4.736 10.135 -2.716 53 HE1 TYR 5 HE1 TYR 5 5.575 6.076 -5.364 54 HE2 TYR 5 HE2 TYR 5 7.008 9.638 -3.506 55 HH TYR 5 HH TYR 5 7.850 7.992 -5.765 56 H CYS 6 H CYS 6 0.099 6.575 -2.869 57 HA CYS 6 HA CYS 6 1.066 3.934 -2.382 58 HB2 CYS 6 HB2 CYS 6 -1.351 4.573 -2.478 59 HB3 CYS 6 HB3 CYS 6 -1.180 4.811 -4.210 60 HA PRO 7 HA PRO 7 3.968 3.903 -5.804 61 HB2 PRO 7 HB2 PRO 7 3.570 0.972 -5.390 62 HB3 PRO 7 HB3 PRO 7 5.070 1.890 -5.558 63 HG2 PRO 7 HG2 PRO 7 4.270 1.049 -3.170 64 HG3 PRO 7 HG3 PRO 7 5.003 2.652 -3.365 65 HD2 PRO 7 HD2 PRO 7 2.144 1.912 -2.952 66 HD3 PRO 7 HD3 PRO 7 3.041 3.330 -2.377 67 H LYS 8 H LYS 8 3.784 3.696 -7.967 68 HA LYS 8 HA LYS 8 1.373 3.558 -9.248 69 HB2 LYS 8 HB2 LYS 8 3.267 4.414 -10.415 70 HB3 LYS 8 HB3 LYS 8 4.139 2.897 -10.252 71 HG2 LYS 8 HG2 LYS 8 3.321 3.222 -12.523 72 HG3 LYS 8 HG3 LYS 8 2.578 1.812 -11.768 73 HD2 LYS 8 HD2 LYS 8 0.618 3.270 -11.199 74 HD3 LYS 8 HD3 LYS 8 1.353 4.533 -12.185 75 HE2 LYS 8 HE2 LYS 8 1.238 3.142 -14.144 76 HE3 LYS 8 HE3 LYS 8 0.669 1.776 -13.186 77 HZ1 LYS 8 HZ1 LYS 8 -1.237 2.653 -14.141 78 HZ2 LYS 8 HZ2 LYS 8 -0.768 4.252 -13.884 79 HZ3 LYS 8 HZ3 LYS 8 -1.258 3.297 -12.583 80 H ILE 9 H ILE 9 3.602 0.912 -8.575 81 HA ILE 9 HA ILE 9 2.293 -1.093 -10.029 82 HB ILE 9 HB ILE 9 4.571 -1.317 -9.094 83 HG12 ILE 9 HG12 ILE 9 3.166 -3.320 -9.725 84 HG13 ILE 9 HG13 ILE 9 4.475 -3.643 -8.598 85 HG21 ILE 9 HG21 ILE 9 3.222 -1.719 -6.430 86 HG22 ILE 9 HG22 ILE 9 4.099 -0.269 -6.914 87 HG23 ILE 9 HG23 ILE 9 4.950 -1.804 -6.769 88 HD11 ILE 9 HD11 ILE 9 1.674 -4.130 -8.316 89 HD12 ILE 9 HD12 ILE 9 2.236 -3.074 -7.020 90 HD13 ILE 9 HD13 ILE 9 3.013 -4.631 -7.286 91 H GLY 10 H GLY 10 1.771 0.223 -6.842 92 HA2 GLY 10 HA2 GLY 10 -0.236 -1.728 -6.104 93 HA3 GLY 10 HA3 GLY 10 0.260 -0.321 -5.182 94 H TYR 11 H TYR 11 -2.209 -0.614 -5.005 95 HA TYR 11 HA TYR 11 -3.380 1.564 -6.485 96 HB2 TYR 11 HB2 TYR 11 -5.314 0.331 -7.296 97 HB3 TYR 11 HB3 TYR 11 -3.853 -0.399 -7.952 98 HD1 TYR 11 HD1 TYR 11 -6.489 -0.790 -5.388 99 HD2 TYR 11 HD2 TYR 11 -3.338 -2.669 -7.534 100 HE1 TYR 11 HE1 TYR 11 -7.218 -2.977 -4.529 101 HE2 TYR 11 HE2 TYR 11 -4.061 -4.858 -6.689 102 HH TYR 11 HH TYR 11 -5.352 -5.709 -4.636 103 H CYS 12 H CYS 12 -4.882 2.601 -5.179 104 HA CYS 12 HA CYS 12 -5.074 1.510 -2.490 105 HB2 CYS 12 HB2 CYS 12 -5.833 4.229 -3.562 106 HB3 CYS 12 HB3 CYS 12 -5.867 3.758 -1.867 107 H SER 13 H SER 13 -6.830 0.855 -1.502 108 HA SER 13 HA SER 13 -9.487 1.343 -2.555 109 HB2 SER 13 HB2 SER 13 -8.587 -1.512 -2.133 110 HB3 SER 13 HB3 SER 13 -10.057 -0.937 -2.920 111 HG SER 13 HG SER 13 -7.398 -0.885 -3.869 112 H ASN 14 H ASN 14 -11.137 0.720 -0.981 113 HA ASN 14 HA ASN 14 -10.506 1.367 1.641 114 HB2 ASN 14 HB2 ASN 14 -12.805 1.423 0.756 115 HB3 ASN 14 HB3 ASN 14 -12.821 -0.336 0.699 116 HD21 ASN 14 HD21 ASN 14 -13.785 -1.274 2.347 117 HD22 ASN 14 HD22 ASN 14 -13.925 -0.634 3.947 118 H THR 15 H THR 15 -10.216 -1.629 -0.018 119 HA THR 15 HA THR 15 -8.933 -2.817 2.290 120 HB THR 15 HB THR 15 -10.273 -4.962 1.939 121 HG1 THR 15 HG1 THR 15 -12.386 -3.353 1.036 122 HG21 THR 15 HG21 THR 15 -11.813 -4.389 3.593 123 HG22 THR 15 HG22 THR 15 -12.013 -2.750 2.974 124 HG23 THR 15 HG23 THR 15 -10.531 -3.200 3.818 125 H CYS 16 H CYS 16 -7.282 -4.125 1.710 126 HA CYS 16 HA CYS 16 -6.924 -4.641 -1.165 127 HB2 CYS 16 HB2 CYS 16 -4.849 -4.308 1.010 128 HB3 CYS 16 HB3 CYS 16 -4.500 -4.650 -0.682 129 H SER 17 H SER 17 -6.164 -6.625 -1.866 130 HA SER 17 HA SER 17 -7.091 -8.908 -0.611 131 HB2 SER 17 HB2 SER 17 -4.753 -8.772 -2.527 132 HB3 SER 17 HB3 SER 17 -5.846 -10.131 -2.276 133 HG SER 17 HG SER 17 -6.225 -8.656 -4.154 134 H LYS 18 H LYS 18 -6.190 -10.419 0.775 135 HA LYS 18 HA LYS 18 -4.346 -9.618 2.659 136 HB2 LYS 18 HB2 LYS 18 -4.125 -12.019 3.259 137 HB3 LYS 18 HB3 LYS 18 -5.793 -11.491 3.093 138 HG2 LYS 18 HG2 LYS 18 -5.978 -12.548 0.952 139 HG3 LYS 18 HG3 LYS 18 -4.259 -12.943 0.951 140 HD2 LYS 18 HD2 LYS 18 -5.625 -14.885 1.534 141 HD3 LYS 18 HD3 LYS 18 -4.581 -14.405 2.872 142 HE2 LYS 18 HE2 LYS 18 -6.405 -13.381 4.021 143 HE3 LYS 18 HE3 LYS 18 -7.464 -13.570 2.627 144 HZ1 LYS 18 HZ1 LYS 18 -7.866 -15.229 4.370 145 HZ2 LYS 18 HZ2 LYS 18 -6.292 -15.813 4.172 146 HZ3 LYS 18 HZ3 LYS 18 -7.403 -15.939 2.907 147 H THR 19 H THR 19 -3.811 -11.291 -0.387 148 HA THR 19 HA THR 19 -1.050 -11.820 0.052 149 HB THR 19 HB THR 19 -2.542 -12.987 -1.635 150 HG1 THR 19 HG1 THR 19 -0.071 -11.893 -2.573 151 HG21 THR 19 HG21 THR 19 -3.342 -10.700 -2.558 152 HG22 THR 19 HG22 THR 19 -3.061 -12.023 -3.689 153 HG23 THR 19 HG23 THR 19 -1.858 -10.747 -3.509 154 H GLN 20 H GLN 20 -2.240 -9.008 0.324 155 HA GLN 20 HA GLN 20 -0.040 -7.624 -1.005 156 HB2 GLN 20 HB2 GLN 20 -2.906 -6.649 -1.003 157 HB3 GLN 20 HB3 GLN 20 -1.523 -5.762 -1.622 158 HG2 GLN 20 HG2 GLN 20 -1.188 -7.606 -3.272 159 HG3 GLN 20 HG3 GLN 20 -2.717 -8.289 -2.722 160 HE21 GLN 20 HE21 GLN 20 -1.392 -6.527 -5.075 161 HE22 GLN 20 HE22 GLN 20 -2.734 -5.546 -5.542 162 H ILE 21 H ILE 21 0.721 -5.856 0.142 163 HA ILE 21 HA ILE 21 0.216 -5.893 2.957 164 HB ILE 21 HB ILE 21 1.846 -3.943 1.317 165 HG12 ILE 21 HG12 ILE 21 2.729 -6.395 2.862 166 HG13 ILE 21 HG13 ILE 21 2.603 -6.296 1.109 167 HG21 ILE 21 HG21 ILE 21 1.210 -3.073 3.526 168 HG22 ILE 21 HG22 ILE 21 2.943 -3.369 3.413 169 HG23 ILE 21 HG23 ILE 21 1.910 -4.502 4.284 170 HD11 ILE 21 HD11 ILE 21 4.787 -5.611 2.775 171 HD12 ILE 21 HD12 ILE 21 4.224 -4.145 1.974 172 HD13 ILE 21 HD13 ILE 21 4.678 -5.553 1.017 173 H TRP 22 H TRP 22 -1.238 -4.721 4.050 174 HA TRP 22 HA TRP 22 -2.899 -2.777 2.704 175 HB2 TRP 22 HB2 TRP 22 -2.798 -3.728 5.577 176 HB3 TRP 22 HB3 TRP 22 -3.955 -2.546 4.978 177 HD1 TRP 22 HD1 TRP 22 -2.904 -6.071 3.683 178 HE1 TRP 22 HE1 TRP 22 -5.061 -7.401 3.234 179 HE3 TRP 22 HE3 TRP 22 -6.321 -2.543 5.058 180 HZ2 TRP 22 HZ2 TRP 22 -7.852 -6.991 3.435 181 HZ3 TRP 22 HZ3 TRP 22 -8.710 -3.075 4.891 182 HH2 TRP 22 HH2 TRP 22 -9.463 -5.261 4.096 183 H ALA 23 H ALA 23 -0.474 -1.867 2.427 184 HA ALA 23 HA ALA 23 0.602 -0.315 4.503 185 HB1 ALA 23 HB1 ALA 23 0.973 -0.384 1.538 186 HB2 ALA 23 HB2 ALA 23 2.097 -0.842 2.817 187 HB3 ALA 23 HB3 ALA 23 1.752 0.859 2.514 188 H THR 24 H THR 24 0.071 1.596 5.288 189 HA THR 24 HA THR 24 -2.171 3.062 4.249 190 HB THR 24 HB THR 24 -0.197 3.882 6.400 191 HG1 THR 24 HG1 THR 24 -1.405 1.837 6.735 192 HG21 THR 24 HG21 THR 24 -2.919 4.882 5.597 193 HG22 THR 24 HG22 THR 24 -1.418 5.795 5.747 194 HG23 THR 24 HG23 THR 24 -2.234 5.195 7.192 195 H SER 25 H SER 25 -2.085 4.903 2.968 196 HA SER 25 HA SER 25 0.590 5.957 2.360 197 HB2 SER 25 HB2 SER 25 -0.359 6.203 -0.050 198 HB3 SER 25 HB3 SER 25 0.238 4.633 0.487 199 HG SER 25 HG SER 25 -2.119 4.392 1.174 200 H HIS 26 H HIS 26 0.755 8.083 2.372 201 HA HIS 26 HA HIS 26 -1.210 9.783 3.330 202 HB2 HIS 26 HB2 HIS 26 1.369 10.254 1.855 203 HB3 HIS 26 HB3 HIS 26 0.338 11.604 2.301 204 HD1 HIS 26 HD1 HIS 26 -0.367 11.355 5.065 205 HD2 HIS 26 HD2 HIS 26 3.272 9.863 3.720 206 HE1 HIS 26 HE1 HIS 26 1.086 11.176 7.106 207 HE2 HIS 26 HE2 HIS 26 3.248 10.177 6.289 208 H GLY 27 H GLY 27 -0.071 9.354 -0.008 209 HA2 GLY 27 HA2 GLY 27 -2.014 11.139 -1.110 210 HA3 GLY 27 HA3 GLY 27 -0.987 10.033 -2.009 211 H CYS 28 H CYS 28 -3.074 8.919 0.557 212 HA CYS 28 HA CYS 28 -5.201 8.166 -1.223 213 HB2 CYS 28 HB2 CYS 28 -3.276 6.146 -0.136 214 HB3 CYS 28 HB3 CYS 28 -4.938 5.699 -0.485 215 H LYS 29 H LYS 29 -6.690 6.537 0.104 216 HA LYS 29 HA LYS 29 -7.288 7.986 2.535 217 HB2 LYS 29 HB2 LYS 29 -8.862 5.861 1.083 218 HB3 LYS 29 HB3 LYS 29 -9.422 6.764 2.482 219 HG2 LYS 29 HG2 LYS 29 -9.278 8.839 1.200 220 HG3 LYS 29 HG3 LYS 29 -8.730 7.925 -0.206 221 HD2 LYS 29 HD2 LYS 29 -10.819 6.714 -0.281 222 HD3 LYS 29 HD3 LYS 29 -11.360 7.497 1.203 223 HE2 LYS 29 HE2 LYS 29 -11.371 9.650 0.097 224 HE3 LYS 29 HE3 LYS 29 -10.734 8.928 -1.377 225 HZ1 LYS 29 HZ1 LYS 29 -13.204 9.344 -1.287 226 HZ2 LYS 29 HZ2 LYS 29 -13.296 8.062 -0.189 227 HZ3 LYS 29 HZ3 LYS 29 -12.724 7.794 -1.756 228 H MET 30 H MET 30 -8.724 5.104 2.854 229 HA MET 30 HA MET 30 -7.543 4.453 5.254 230 HB2 MET 30 HB2 MET 30 -9.074 2.607 3.429 231 HB3 MET 30 HB3 MET 30 -8.841 2.404 5.158 232 HG2 MET 30 HG2 MET 30 -11.037 3.241 4.788 233 HG3 MET 30 HG3 MET 30 -10.074 4.516 5.526 234 HE1 MET 30 HE1 MET 30 -11.499 3.071 2.251 235 HE2 MET 30 HE2 MET 30 -9.917 3.519 1.614 236 HE3 MET 30 HE3 MET 30 -11.357 4.398 1.101 237 H TYR 31 H TYR 31 -6.709 3.138 2.034 238 HA TYR 31 HA TYR 31 -4.207 2.195 3.097 239 HB2 TYR 31 HB2 TYR 31 -5.978 0.025 1.984 240 HB3 TYR 31 HB3 TYR 31 -4.443 -0.142 2.821 241 HD1 TYR 31 HD1 TYR 31 -8.025 0.616 3.250 242 HD2 TYR 31 HD2 TYR 31 -4.363 -0.359 5.181 243 HE1 TYR 31 HE1 TYR 31 -9.252 0.156 5.324 244 HE2 TYR 31 HE2 TYR 31 -5.587 -0.827 7.266 245 HH TYR 31 HH TYR 31 -8.219 -1.586 7.718 246 H CYS 32 H CYS 32 -2.932 1.000 1.553 247 HA CYS 32 HA CYS 32 -3.521 1.592 -1.267 248 HB2 CYS 32 HB2 CYS 32 -1.734 3.061 -0.750 249 HB3 CYS 32 HB3 CYS 32 -0.940 1.883 0.279 250 H CYS 33 H CYS 33 -3.061 -0.165 -2.664 251 HA CYS 33 HA CYS 33 -2.586 -2.680 -1.236 252 HB2 CYS 33 HB2 CYS 33 -3.693 -2.310 -4.025 253 HB3 CYS 33 HB3 CYS 33 -3.690 -3.785 -3.069 254 H LEU 34 H LEU 34 -0.831 -3.826 -1.572 255 HA LEU 34 HA LEU 34 0.742 -3.457 -3.992 256 HB2 LEU 34 HB2 LEU 34 1.827 -3.080 -1.201 257 HB3 LEU 34 HB3 LEU 34 2.812 -3.196 -2.640 258 HG LEU 34 HG LEU 34 0.710 -1.069 -2.418 259 HD11 LEU 34 HD11 LEU 34 2.654 -1.272 -0.515 260 HD12 LEU 34 HD12 LEU 34 1.883 0.226 -1.026 261 HD13 LEU 34 HD13 LEU 34 3.426 -0.252 -1.726 262 HD21 LEU 34 HD21 LEU 34 3.377 -1.042 -3.790 263 HD22 LEU 34 HD22 LEU 34 2.002 0.029 -4.053 264 HD23 LEU 34 HD23 LEU 34 1.915 -1.658 -4.557 265 HA PRO 35 HA PRO 35 0.695 -7.889 -3.584 266 HB2 PRO 35 HB2 PRO 35 3.180 -7.679 -5.194 267 HB3 PRO 35 HB3 PRO 35 1.720 -8.618 -5.502 268 HG2 PRO 35 HG2 PRO 35 2.286 -6.387 -6.876 269 HG3 PRO 35 HG3 PRO 35 0.621 -6.845 -6.472 270 HD2 PRO 35 HD2 PRO 35 2.346 -4.733 -5.291 271 HD3 PRO 35 HD3 PRO 35 0.583 -4.782 -5.483 272 H ALA 36 H ALA 36 1.751 -9.376 -2.298 273 HA ALA 36 HA ALA 36 3.363 -8.560 -0.231 274 HB1 ALA 36 HB1 ALA 36 3.819 -10.860 0.217 275 HB2 ALA 36 HB2 ALA 36 3.510 -11.308 -1.459 276 HB3 ALA 36 HB3 ALA 36 2.183 -10.767 -0.433 277 H SER 37 H SER 37 4.256 -9.477 -3.471 278 HA SER 37 HA SER 37 7.016 -9.817 -3.134 279 HB2 SER 37 HB2 SER 37 7.055 -9.190 -5.633 280 HB3 SER 37 HB3 SER 37 6.103 -10.597 -5.162 281 HG SER 37 HG SER 37 5.151 -7.974 -5.712 282 H TRP 38 H TRP 38 5.051 -6.962 -3.476 283 HA TRP 38 HA TRP 38 6.845 -5.029 -4.235 284 HB2 TRP 38 HB2 TRP 38 4.496 -4.523 -3.904 285 HB3 TRP 38 HB3 TRP 38 4.634 -4.848 -2.180 286 HD1 TRP 38 HD1 TRP 38 6.217 -2.367 -4.723 287 HE1 TRP 38 HE1 TRP 38 6.485 -0.096 -3.538 288 HE3 TRP 38 HE3 TRP 38 4.518 -3.668 -0.086 289 HZ2 TRP 38 HZ2 TRP 38 6.036 0.995 -0.970 290 HZ3 TRP 38 HZ3 TRP 38 4.471 -1.956 1.680 291 HH2 TRP 38 HH2 TRP 38 5.213 0.326 1.244 292 H LYS 39 H LYS 39 8.529 -3.977 -3.302 293 HA LYS 39 HA LYS 39 9.466 -4.978 -0.735 294 HB2 LYS 39 HB2 LYS 39 10.775 -3.121 -2.730 295 HB3 LYS 39 HB3 LYS 39 11.527 -3.696 -1.250 296 HG2 LYS 39 HG2 LYS 39 10.617 -5.438 -3.530 297 HG3 LYS 39 HG3 LYS 39 12.279 -4.931 -3.226 298 HD2 LYS 39 HD2 LYS 39 12.162 -6.054 -1.013 299 HD3 LYS 39 HD3 LYS 39 10.553 -6.642 -1.436 300 HE2 LYS 39 HE2 LYS 39 11.503 -7.820 -3.368 301 HE3 LYS 39 HE3 LYS 39 13.109 -7.246 -2.918 302 HZ1 LYS 39 HZ1 LYS 39 11.434 -9.271 -1.620 303 HZ2 LYS 39 HZ2 LYS 39 12.512 -8.383 -0.672 304 HZ3 LYS 39 HZ3 LYS 39 13.086 -9.304 -1.963 305 H TRP 40 H TRP 40 8.913 -4.016 1.057 306 HA TRP 40 HA TRP 40 7.749 -1.407 1.061 307 HB2 TRP 40 HB2 TRP 40 6.902 -3.193 2.508 308 HB3 TRP 40 HB3 TRP 40 8.448 -3.266 3.336 309 HD1 TRP 40 HD1 TRP 40 6.979 -2.808 5.588 310 HE1 TRP 40 HE1 TRP 40 6.240 -0.592 6.660 311 HE3 TRP 40 HE3 TRP 40 7.592 0.308 1.561 312 HZ2 TRP 40 HZ2 TRP 40 5.950 2.099 5.909 313 HZ3 TRP 40 HZ3 TRP 40 7.061 2.689 1.838 314 HH2 TRP 40 HH2 TRP 40 6.258 3.565 3.967 315 H LYS 41 H LYS 41 9.294 -1.369 3.920 316 HA LYS 41 HA LYS 41 11.095 0.688 3.125 317 HB2 LYS 41 HB2 LYS 41 11.078 -0.744 5.780 318 HB3 LYS 41 HB3 LYS 41 11.616 0.898 5.443 319 HG2 LYS 41 HG2 LYS 41 9.283 1.494 4.874 320 HG3 LYS 41 HG3 LYS 41 8.800 -0.130 5.350 321 HD2 LYS 41 HD2 LYS 41 10.114 1.900 7.139 322 HD3 LYS 41 HD3 LYS 41 8.400 1.489 7.128 323 HE2 LYS 41 HE2 LYS 41 9.034 -0.858 7.678 324 HE3 LYS 41 HE3 LYS 41 10.700 -0.313 7.853 325 HZ1 LYS 41 HZ1 LYS 41 10.139 0.021 9.967 326 HZ2 LYS 41 HZ2 LYS 41 8.478 -0.014 9.652 327 HZ3 LYS 41 HZ3 LYS 41 9.351 1.411 9.419
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