NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
616868 | 5x39 | 36055 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 H1 THR 1 -3.897 -11.769 -3.911 2 H2 THR 1 H2 THR 1 -2.988 -11.786 -2.480 3 H3 THR 1 H3 THR 1 -2.435 -10.907 -3.810 4 HA THR 1 HA THR 1 -4.333 -9.433 -3.557 5 HB THR 1 HB THR 1 -5.489 -9.760 -1.263 6 HG1 THR 1 HG1 THR 1 -4.580 -11.454 -0.286 7 HG21 THR 1 HG21 THR 1 -6.651 -10.016 -3.417 8 HG22 THR 1 HG22 THR 1 -7.194 -11.234 -2.263 9 HG23 THR 1 HG23 THR 1 -6.059 -11.673 -3.542 10 H ALA 2 H ALA 2 -4.255 -7.665 -2.039 11 HA ALA 2 HA ALA 2 -1.618 -7.355 -1.003 12 HB1 ALA 2 HB1 ALA 2 -3.982 -5.478 -0.731 13 HB2 ALA 2 HB2 ALA 2 -2.800 -5.476 -2.041 14 HB3 ALA 2 HB3 ALA 2 -2.291 -5.105 -0.399 15 H SER 3 H SER 3 -1.165 -6.776 1.168 16 HA SER 3 HA SER 3 -2.630 -8.515 2.978 17 HB2 SER 3 HB2 SER 3 -0.332 -8.312 4.178 18 HB3 SER 3 HB3 SER 3 -0.433 -9.309 2.725 19 H HIS 4 H HIS 4 -2.865 -7.842 5.160 20 HA HIS 4 HA HIS 4 -3.720 -5.143 5.458 21 HB2 HIS 4 HB2 HIS 4 -4.676 -7.241 6.596 22 HB3 HIS 4 HB3 HIS 4 -3.267 -7.188 7.633 23 HD1 HIS 4 HD1 HIS 4 -4.594 -6.767 9.761 24 HD2 HIS 4 HD2 HIS 4 -5.275 -3.914 6.822 25 HE1 HIS 4 HE1 HIS 4 -5.984 -4.995 10.848 26 HE2 HIS 4 HE2 HIS 4 -6.368 -3.271 9.075 27 H TYR 5 H TYR 5 -2.488 -3.483 5.968 28 HA TYR 5 HA TYR 5 -0.928 -2.167 6.814 29 HB2 TYR 5 HB2 TYR 5 -0.043 -4.574 8.398 30 HB3 TYR 5 HB3 TYR 5 0.831 -3.046 8.459 31 HD1 TYR 5 HD1 TYR 5 -2.132 -4.858 9.512 32 HD2 TYR 5 HD2 TYR 5 -0.241 -1.058 9.418 33 HE1 TYR 5 HE1 TYR 5 -3.663 -4.054 11.243 34 HE2 TYR 5 HE2 TYR 5 -1.775 -0.245 11.150 35 HH TYR 5 HH TYR 5 -4.008 -0.793 11.997 36 H GLY 6 H GLY 6 -0.573 -4.297 4.599 37 HA2 GLY 6 HA2 GLY 6 2.249 -3.713 4.113 38 HA3 GLY 6 HA3 GLY 6 1.280 -4.940 3.289 39 H GLN 7 H GLN 7 2.704 -3.169 1.790 40 HA GLN 7 HA GLN 7 1.172 -0.891 1.055 41 HB2 GLN 7 HB2 GLN 7 3.625 -1.103 0.686 42 HB3 GLN 7 HB3 GLN 7 3.299 -2.361 -0.505 43 HG2 GLN 7 HG2 GLN 7 2.235 -0.788 -1.954 44 HG3 GLN 7 HG3 GLN 7 2.368 0.496 -0.752 45 HE21 GLN 7 HE21 GLN 7 3.673 1.840 -2.153 46 HE22 GLN 7 HE22 GLN 7 5.278 1.386 -2.506 47 H CYS 8 H CYS 8 -0.513 -0.800 -0.223 48 HA CYS 8 HA CYS 8 -1.329 -3.255 -1.608 49 HB2 CYS 8 HB2 CYS 8 -3.560 -2.222 -1.695 50 HB3 CYS 8 HB3 CYS 8 -2.951 -2.492 -0.062 51 H GLY 9 H GLY 9 -0.810 0.196 -2.217 52 HA2 GLY 9 HA2 GLY 9 -0.515 -0.355 -5.010 53 HA3 GLY 9 HA3 GLY 9 -2.071 0.363 -4.619 54 H GLY 10 H GLY 10 1.364 0.837 -4.237 55 HA2 GLY 10 HA2 GLY 10 0.849 3.729 -4.252 56 HA3 GLY 10 HA3 GLY 10 2.330 2.967 -3.664 57 H ILE 11 H ILE 11 2.562 4.964 -5.482 58 HA ILE 11 HA ILE 11 2.667 4.058 -8.152 59 HB ILE 11 HB ILE 11 4.336 6.250 -6.863 60 HG12 ILE 11 HG12 ILE 11 1.684 6.484 -8.308 61 HG13 ILE 11 HG13 ILE 11 1.867 6.527 -6.559 62 HG21 ILE 11 HG21 ILE 11 3.581 5.772 -9.755 63 HG22 ILE 11 HG22 ILE 11 5.176 5.526 -9.056 64 HG23 ILE 11 HG23 ILE 11 4.494 7.152 -9.146 65 HD11 ILE 11 HD11 ILE 11 1.628 8.754 -7.484 66 HD12 ILE 11 HD12 ILE 11 3.037 8.490 -8.513 67 HD13 ILE 11 HD13 ILE 11 3.223 8.543 -6.760 68 H GLY 12 H GLY 12 3.988 2.603 -8.982 69 HA2 GLY 12 HA2 GLY 12 6.207 1.833 -9.465 70 HA3 GLY 12 HA3 GLY 12 6.673 2.289 -7.828 71 H TYR 13 H TYR 13 3.954 1.109 -7.046 72 HA TYR 13 HA TYR 13 5.051 -1.512 -6.517 73 HB2 TYR 13 HB2 TYR 13 3.948 -0.239 -4.705 74 HB3 TYR 13 HB3 TYR 13 2.445 -0.252 -5.608 75 HD1 TYR 13 HD1 TYR 13 4.942 -2.520 -4.035 76 HD2 TYR 13 HD2 TYR 13 0.911 -1.979 -5.248 77 HE1 TYR 13 HE1 TYR 13 4.329 -4.599 -2.885 78 HE2 TYR 13 HE2 TYR 13 0.285 -4.058 -4.107 79 HH TYR 13 HH TYR 13 1.135 -5.958 -3.225 80 H SER 14 H SER 14 4.922 -2.882 -8.147 81 HA SER 14 HA SER 14 2.661 -2.886 -9.928 82 HB2 SER 14 HB2 SER 14 4.242 -4.622 -11.018 83 HB3 SER 14 HB3 SER 14 4.708 -2.915 -11.030 84 HG SER 14 HG SER 14 6.478 -3.984 -10.292 85 H GLY 15 H GLY 15 3.132 -4.120 -7.021 86 HA2 GLY 15 HA2 GLY 15 2.600 -6.929 -7.383 87 HA3 GLY 15 HA3 GLY 15 2.593 -6.053 -5.856 88 HA PRO 16 HA PRO 16 -1.748 -7.357 -6.794 89 HB2 PRO 16 HB2 PRO 16 -2.118 -8.038 -4.147 90 HB3 PRO 16 HB3 PRO 16 -1.594 -9.172 -5.399 91 HG2 PRO 16 HG2 PRO 16 0.111 -7.532 -3.533 92 HG3 PRO 16 HG3 PRO 16 0.211 -9.294 -3.836 93 HD2 PRO 16 HD2 PRO 16 1.866 -7.672 -4.962 94 HD3 PRO 16 HD3 PRO 16 1.074 -8.895 -5.979 95 H THR 17 H THR 17 -2.895 -5.498 -6.921 96 HA THR 17 HA THR 17 -2.664 -3.500 -4.841 97 HB THR 17 HB THR 17 -4.179 -2.255 -6.543 98 HG1 THR 17 HG1 THR 17 -4.435 -3.162 -8.433 99 HG21 THR 17 HG21 THR 17 -2.201 -1.585 -7.864 100 HG22 THR 17 HG22 THR 17 -1.314 -2.971 -7.221 101 HG23 THR 17 HG23 THR 17 -1.830 -1.678 -6.143 102 H VAL 18 H VAL 18 -4.715 -6.012 -5.798 103 HA VAL 18 HA VAL 18 -7.055 -4.856 -4.536 104 HB VAL 18 HB VAL 18 -6.679 -7.631 -5.716 105 HG11 VAL 18 HG11 VAL 18 -8.467 -7.554 -4.071 106 HG12 VAL 18 HG12 VAL 18 -9.134 -7.742 -5.695 107 HG13 VAL 18 HG13 VAL 18 -9.188 -6.172 -4.893 108 HG21 VAL 18 HG21 VAL 18 -6.448 -5.898 -7.418 109 HG22 VAL 18 HG22 VAL 18 -7.979 -5.182 -6.912 110 HG23 VAL 18 HG23 VAL 18 -7.954 -6.790 -7.634 111 H CYS 19 H CYS 19 -7.389 -5.049 -2.457 112 HA CYS 19 HA CYS 19 -5.647 -6.519 -0.772 113 HB2 CYS 19 HB2 CYS 19 -8.074 -4.839 -0.222 114 HB3 CYS 19 HB3 CYS 19 -7.188 -5.698 1.034 115 H ALA 20 H ALA 20 -6.441 -7.788 1.042 116 HA ALA 20 HA ALA 20 -7.923 -10.058 0.158 117 HB1 ALA 20 HB1 ALA 20 -5.946 -10.279 1.604 118 HB2 ALA 20 HB2 ALA 20 -7.376 -10.888 2.439 119 HB3 ALA 20 HB3 ALA 20 -6.722 -9.301 2.837 120 H SER 21 H SER 21 -9.761 -10.853 1.590 121 HA SER 21 HA SER 21 -11.789 -8.927 1.688 122 HB2 SER 21 HB2 SER 21 -11.705 -11.604 3.057 123 HB3 SER 21 HB3 SER 21 -13.139 -10.716 2.547 124 HG SER 21 HG SER 21 -12.050 -12.497 1.157 125 H GLY 22 H GLY 22 -12.213 -7.477 3.204 126 HA2 GLY 22 HA2 GLY 22 -12.743 -6.944 5.466 127 HA3 GLY 22 HA3 GLY 22 -11.511 -8.086 5.976 128 H THR 23 H THR 23 -10.227 -6.447 3.442 129 HA THR 23 HA THR 23 -9.157 -4.356 5.175 130 HB THR 23 HB THR 23 -6.880 -4.753 4.126 131 HG1 THR 23 HG1 THR 23 -8.329 -6.689 2.779 132 HG21 THR 23 HG21 THR 23 -6.336 -6.730 5.464 133 HG22 THR 23 HG22 THR 23 -8.055 -7.077 5.653 134 HG23 THR 23 HG23 THR 23 -7.365 -5.614 6.360 135 H THR 24 H THR 24 -8.396 -2.439 4.042 136 HA THR 24 HA THR 24 -9.332 -2.296 1.277 137 HB THR 24 HB THR 24 -10.125 0.060 1.757 138 HG1 THR 24 HG1 THR 24 -9.359 -0.647 4.312 139 HG21 THR 24 HG21 THR 24 -11.602 -2.226 3.062 140 HG22 THR 24 HG22 THR 24 -11.718 -1.733 1.373 141 HG23 THR 24 HG23 THR 24 -12.310 -0.668 2.646 142 H CYS 25 H CYS 25 -8.124 -1.120 -0.103 143 HA CYS 25 HA CYS 25 -5.482 -0.449 0.730 144 HB2 CYS 25 HB2 CYS 25 -5.969 -1.399 -1.516 145 HB3 CYS 25 HB3 CYS 25 -6.861 0.071 -1.912 146 H GLN 26 H GLN 26 -5.009 1.396 1.764 147 HA GLN 26 HA GLN 26 -6.516 3.735 0.994 148 HB2 GLN 26 HB2 GLN 26 -5.637 2.790 3.694 149 HB3 GLN 26 HB3 GLN 26 -6.085 4.461 3.398 150 HG2 GLN 26 HG2 GLN 26 -8.302 3.721 2.636 151 HG3 GLN 26 HG3 GLN 26 -7.835 2.050 2.927 152 HE21 GLN 26 HE21 GLN 26 -7.861 1.286 4.977 153 HE22 GLN 26 HE22 GLN 26 -8.486 2.161 6.317 154 H VAL 27 H VAL 27 -5.351 5.160 0.062 155 HA VAL 27 HA VAL 27 -2.517 5.048 -0.089 156 HB VAL 27 HB VAL 27 -4.412 7.259 -0.970 157 HG11 VAL 27 HG11 VAL 27 -2.643 7.948 -2.490 158 HG12 VAL 27 HG12 VAL 27 -1.576 6.725 -1.801 159 HG13 VAL 27 HG13 VAL 27 -2.139 8.064 -0.804 160 HG21 VAL 27 HG21 VAL 27 -4.958 5.146 -2.037 161 HG22 VAL 27 HG22 VAL 27 -3.276 4.955 -2.541 162 HG23 VAL 27 HG23 VAL 27 -4.248 6.272 -3.195 163 H LEU 28 H LEU 28 -1.189 5.741 1.413 164 HA LEU 28 HA LEU 28 -2.110 7.693 3.407 165 HB2 LEU 28 HB2 LEU 28 0.400 6.032 3.357 166 HB3 LEU 28 HB3 LEU 28 -0.130 7.036 4.692 167 HG LEU 28 HG LEU 28 -1.322 4.445 3.723 168 HD11 LEU 28 HD11 LEU 28 0.663 4.300 5.108 169 HD12 LEU 28 HD12 LEU 28 -0.759 3.672 5.941 170 HD13 LEU 28 HD13 LEU 28 -0.127 5.265 6.354 171 HD21 LEU 28 HD21 LEU 28 -2.355 6.304 5.847 172 HD22 LEU 28 HD22 LEU 28 -2.928 4.662 5.538 173 HD23 LEU 28 HD23 LEU 28 -3.156 5.922 4.314 174 H ASN 29 H ASN 29 0.382 7.035 1.064 175 HA ASN 29 HA ASN 29 1.005 9.866 0.863 176 HB2 ASN 29 HB2 ASN 29 3.065 7.611 0.958 177 HB3 ASN 29 HB3 ASN 29 3.393 9.291 0.548 178 HD21 ASN 29 HD21 ASN 29 2.797 7.034 3.100 179 HD22 ASN 29 HD22 ASN 29 3.179 8.096 4.407 180 HA PRO 30 HA PRO 30 0.412 8.840 -3.372 181 HB2 PRO 30 HB2 PRO 30 2.826 9.763 -4.531 182 HB3 PRO 30 HB3 PRO 30 1.263 10.557 -4.547 183 HG2 PRO 30 HG2 PRO 30 3.571 11.319 -3.101 184 HG3 PRO 30 HG3 PRO 30 1.968 12.063 -3.004 185 HD2 PRO 30 HD2 PRO 30 3.344 10.369 -1.119 186 HD3 PRO 30 HD3 PRO 30 1.828 11.224 -0.870 187 H TYR 31 H TYR 31 3.636 8.041 -2.220 188 HA TYR 31 HA TYR 31 3.661 5.894 -4.174 189 HB2 TYR 31 HB2 TYR 31 5.826 6.932 -2.353 190 HB3 TYR 31 HB3 TYR 31 6.027 5.519 -3.373 191 HD1 TYR 31 HD1 TYR 31 6.837 5.785 -5.536 192 HD2 TYR 31 HD2 TYR 31 5.124 9.150 -3.589 193 HE1 TYR 31 HE1 TYR 31 7.512 7.222 -7.415 194 HE2 TYR 31 HE2 TYR 31 5.800 10.586 -5.457 195 HH TYR 31 HH TYR 31 7.394 10.622 -7.240 196 H TYR 32 H TYR 32 3.277 6.387 -0.729 197 HA TYR 32 HA TYR 32 3.237 3.486 -0.456 198 HB2 TYR 32 HB2 TYR 32 4.768 4.619 1.116 199 HB3 TYR 32 HB3 TYR 32 3.394 5.484 1.804 200 HD1 TYR 32 HD1 TYR 32 2.157 4.507 3.571 201 HD2 TYR 32 HD2 TYR 32 4.689 2.056 1.175 202 HE1 TYR 32 HE1 TYR 32 1.737 2.607 5.063 203 HE2 TYR 32 HE2 TYR 32 4.270 0.156 2.666 204 HH TYR 32 HH TYR 32 3.544 -0.303 4.929 205 H SER 33 H SER 33 1.342 2.589 -0.638 206 HA SER 33 HA SER 33 -0.913 3.878 0.717 207 HB2 SER 33 HB2 SER 33 -1.034 2.021 -1.703 208 HB3 SER 33 HB3 SER 33 -2.384 2.870 -0.956 209 HG SER 33 HG SER 33 -1.247 3.775 -2.926 210 H GLN 34 H GLN 34 -1.910 2.563 2.236 211 HA GLN 34 HA GLN 34 -0.591 -0.044 2.598 212 HB2 GLN 34 HB2 GLN 34 -0.029 1.811 4.226 213 HB3 GLN 34 HB3 GLN 34 -1.702 1.745 4.754 214 HG2 GLN 34 HG2 GLN 34 -1.402 -0.551 5.464 215 HG3 GLN 34 HG3 GLN 34 0.262 -0.529 4.882 216 HE21 GLN 34 HE21 GLN 34 1.243 -0.880 6.804 217 HE22 GLN 34 HE22 GLN 34 1.214 0.208 8.131 218 H CYS 35 H CYS 35 -1.925 -1.762 3.034 219 HA CYS 35 HA CYS 35 -4.735 -1.227 2.610 220 HB2 CYS 35 HB2 CYS 35 -3.527 -3.262 1.546 221 HB3 CYS 35 HB3 CYS 35 -3.586 -3.947 3.155 222 H LEU 36 H LEU 36 -5.933 -0.738 4.184 223 HA LEU 36 HA LEU 36 -5.423 -1.883 6.819 224 HB2 LEU 36 HB2 LEU 36 -6.552 0.836 6.130 225 HB3 LEU 36 HB3 LEU 36 -6.367 0.194 7.747 226 HG LEU 36 HG LEU 36 -4.092 0.759 5.860 227 HD11 LEU 36 HD11 LEU 36 -5.199 2.820 6.524 228 HD12 LEU 36 HD12 LEU 36 -3.632 2.676 7.319 229 HD13 LEU 36 HD13 LEU 36 -5.112 2.343 8.221 230 HD21 LEU 36 HD21 LEU 36 -2.701 0.500 7.872 231 HD22 LEU 36 HD22 LEU 36 -3.559 -0.979 7.451 232 HD23 LEU 36 HD23 LEU 36 -4.133 0.021 8.783 233 H1 MAN 101 H1 MAN 101 2.077 -8.234 3.492 234 H2 MAN 101 H2 MAN 101 2.717 -6.075 2.256 235 H3 MAN 101 H3 MAN 101 1.342 -6.516 0.272 236 H4 MAN 101 H4 MAN 101 3.445 -8.636 -0.211 237 H5 MAN 101 H5 MAN 101 0.419 -8.809 0.288 238 H61 MAN 101 H61 MAN 101 2.489 -10.978 -0.222 239 H62 MAN 101 H62 MAN 101 1.085 -10.593 -1.253 240 HO2 MAN 101 HO2 MAN 101 4.336 -7.602 2.787 241 HO3 MAN 101 HO3 MAN 101 2.896 -5.877 -1.255 242 HO4 MAN 101 HO4 MAN 101 2.669 -7.453 -2.084 243 HO6 MAN 101 HO6 MAN 101 0.927 -11.402 1.481 Start of MODEL 2 1 H1 THR 1 H1 THR 1 -3.624 -11.931 -3.620 2 H2 THR 1 H2 THR 1 -2.727 -11.959 -2.200 3 H3 THR 1 H3 THR 1 -2.169 -11.069 -3.533 4 HA THR 1 HA THR 1 -4.089 -9.621 -3.299 5 HB THR 1 HB THR 1 -5.343 -9.855 -1.109 6 HG1 THR 1 HG1 THR 1 -5.308 -12.170 -0.378 7 HG21 THR 1 HG21 THR 1 -6.344 -10.505 -3.268 8 HG22 THR 1 HG22 THR 1 -6.880 -11.571 -1.971 9 HG23 THR 1 HG23 THR 1 -5.643 -12.115 -3.103 10 H ALA 2 H ALA 2 -3.958 -7.778 -1.979 11 HA ALA 2 HA ALA 2 -1.402 -7.337 -0.818 12 HB1 ALA 2 HB1 ALA 2 -2.229 -5.084 -0.383 13 HB2 ALA 2 HB2 ALA 2 -3.863 -5.577 -0.815 14 HB3 ALA 2 HB3 ALA 2 -2.594 -5.564 -2.038 15 H SER 3 H SER 3 -0.984 -6.932 1.309 16 HA SER 3 HA SER 3 -2.686 -8.487 3.040 17 HB2 SER 3 HB2 SER 3 -0.585 -8.548 4.398 18 HB3 SER 3 HB3 SER 3 -0.460 -9.277 2.786 19 H HIS 4 H HIS 4 -3.126 -7.759 5.136 20 HA HIS 4 HA HIS 4 -3.764 -5.019 5.454 21 HB2 HIS 4 HB2 HIS 4 -4.841 -7.053 6.608 22 HB3 HIS 4 HB3 HIS 4 -3.430 -7.085 7.641 23 HD1 HIS 4 HD1 HIS 4 -4.863 -6.670 9.725 24 HD2 HIS 4 HD2 HIS 4 -5.183 -3.668 6.884 25 HE1 HIS 4 HE1 HIS 4 -6.093 -4.793 10.871 26 HE2 HIS 4 HE2 HIS 4 -6.574 -3.183 9.028 27 H TYR 5 H TYR 5 -2.421 -3.424 5.942 28 HA TYR 5 HA TYR 5 -0.738 -2.186 6.768 29 HB2 TYR 5 HB2 TYR 5 0.162 -4.666 8.240 30 HB3 TYR 5 HB3 TYR 5 1.003 -3.128 8.335 31 HD1 TYR 5 HD1 TYR 5 -1.873 -5.066 9.425 32 HD2 TYR 5 HD2 TYR 5 -0.044 -1.232 9.475 33 HE1 TYR 5 HE1 TYR 5 -3.310 -4.411 11.288 34 HE2 TYR 5 HE2 TYR 5 -1.479 -0.562 11.336 35 HH TYR 5 HH TYR 5 -3.311 -2.809 13.106 36 H GLY 6 H GLY 6 -0.648 -4.188 4.451 37 HA2 GLY 6 HA2 GLY 6 2.222 -3.919 3.901 38 HA3 GLY 6 HA3 GLY 6 1.084 -5.018 3.112 39 H GLN 7 H GLN 7 2.685 -3.432 1.550 40 HA GLN 7 HA GLN 7 1.231 -1.046 0.827 41 HB2 GLN 7 HB2 GLN 7 3.718 -1.194 0.533 42 HB3 GLN 7 HB3 GLN 7 3.463 -2.445 -0.679 43 HG2 GLN 7 HG2 GLN 7 2.356 -0.898 -2.132 44 HG3 GLN 7 HG3 GLN 7 2.428 0.393 -0.945 45 HE21 GLN 7 HE21 GLN 7 3.702 1.797 -2.298 46 HE22 GLN 7 HE22 GLN 7 5.310 1.414 -2.683 47 H CYS 8 H CYS 8 -0.435 -0.992 -0.420 48 HA CYS 8 HA CYS 8 -1.210 -3.430 -1.882 49 HB2 CYS 8 HB2 CYS 8 -3.466 -2.364 -1.820 50 HB3 CYS 8 HB3 CYS 8 -2.789 -2.845 -0.262 51 H GLY 9 H GLY 9 -0.775 0.048 -2.364 52 HA2 GLY 9 HA2 GLY 9 -0.659 -0.340 -5.196 53 HA3 GLY 9 HA3 GLY 9 -2.230 0.256 -4.666 54 H GLY 10 H GLY 10 1.165 0.935 -4.199 55 HA2 GLY 10 HA2 GLY 10 0.437 3.776 -4.240 56 HA3 GLY 10 HA3 GLY 10 1.916 3.126 -3.521 57 H ILE 11 H ILE 11 2.040 5.152 -5.391 58 HA ILE 11 HA ILE 11 2.504 4.218 -8.002 59 HB ILE 11 HB ILE 11 3.877 6.542 -6.586 60 HG12 ILE 11 HG12 ILE 11 1.375 6.559 -8.299 61 HG13 ILE 11 HG13 ILE 11 1.388 6.676 -6.544 62 HG21 ILE 11 HG21 ILE 11 3.489 5.982 -9.533 63 HG22 ILE 11 HG22 ILE 11 5.011 5.872 -8.648 64 HG23 ILE 11 HG23 ILE 11 4.218 7.435 -8.845 65 HD11 ILE 11 HD11 ILE 11 2.617 8.785 -6.705 66 HD12 ILE 11 HD12 ILE 11 1.083 8.849 -7.572 67 HD13 ILE 11 HD13 ILE 11 2.592 8.657 -8.464 68 H GLY 12 H GLY 12 4.102 3.011 -8.788 69 HA2 GLY 12 HA2 GLY 12 6.394 2.384 -8.952 70 HA3 GLY 12 HA3 GLY 12 6.595 2.812 -7.257 71 H TYR 13 H TYR 13 3.823 1.312 -7.037 72 HA TYR 13 HA TYR 13 5.092 -1.283 -6.564 73 HB2 TYR 13 HB2 TYR 13 3.965 -0.182 -4.647 74 HB3 TYR 13 HB3 TYR 13 2.457 -0.187 -5.550 75 HD1 TYR 13 HD1 TYR 13 1.008 -2.041 -5.400 76 HD2 TYR 13 HD2 TYR 13 5.029 -2.433 -4.082 77 HE1 TYR 13 HE1 TYR 13 0.483 -4.244 -4.448 78 HE2 TYR 13 HE2 TYR 13 4.512 -4.634 -3.126 79 HH TYR 13 HH TYR 13 2.436 -5.850 -2.277 80 H SER 14 H SER 14 4.613 -2.962 -7.888 81 HA SER 14 HA SER 14 2.252 -2.691 -9.611 82 HB2 SER 14 HB2 SER 14 3.611 -4.064 -11.247 83 HB3 SER 14 HB3 SER 14 4.203 -2.429 -10.949 84 HG SER 14 HG SER 14 5.902 -3.182 -9.977 85 H GLY 15 H GLY 15 2.882 -4.125 -6.955 86 HA2 GLY 15 HA2 GLY 15 2.566 -6.943 -7.540 87 HA3 GLY 15 HA3 GLY 15 2.588 -6.167 -5.961 88 HA PRO 16 HA PRO 16 -1.777 -7.687 -6.395 89 HB2 PRO 16 HB2 PRO 16 -1.856 -7.778 -3.621 90 HB3 PRO 16 HB3 PRO 16 -1.583 -9.152 -4.688 91 HG2 PRO 16 HG2 PRO 16 0.414 -7.431 -3.254 92 HG3 PRO 16 HG3 PRO 16 0.436 -9.197 -3.489 93 HD2 PRO 16 HD2 PRO 16 1.983 -7.621 -4.878 94 HD3 PRO 16 HD3 PRO 16 1.149 -8.957 -5.689 95 H THR 17 H THR 17 -2.766 -5.746 -6.957 96 HA THR 17 HA THR 17 -2.805 -3.607 -5.033 97 HB THR 17 HB THR 17 -4.387 -2.612 -6.872 98 HG1 THR 17 HG1 THR 17 -3.122 -4.008 -8.788 99 HG21 THR 17 HG21 THR 17 -1.464 -3.162 -7.444 100 HG22 THR 17 HG22 THR 17 -2.085 -1.839 -6.461 101 HG23 THR 17 HG23 THR 17 -2.432 -1.892 -8.191 102 H VAL 18 H VAL 18 -4.585 -6.345 -5.718 103 HA VAL 18 HA VAL 18 -7.090 -5.388 -4.586 104 HB VAL 18 HB VAL 18 -6.249 -8.151 -5.535 105 HG11 VAL 18 HG11 VAL 18 -8.966 -7.214 -4.606 106 HG12 VAL 18 HG12 VAL 18 -7.911 -8.342 -3.759 107 HG13 VAL 18 HG13 VAL 18 -8.606 -8.788 -5.319 108 HG21 VAL 18 HG21 VAL 18 -6.498 -6.545 -7.330 109 HG22 VAL 18 HG22 VAL 18 -8.106 -6.114 -6.749 110 HG23 VAL 18 HG23 VAL 18 -7.800 -7.732 -7.376 111 H CYS 19 H CYS 19 -7.445 -5.433 -2.481 112 HA CYS 19 HA CYS 19 -5.536 -6.637 -0.698 113 HB2 CYS 19 HB2 CYS 19 -8.018 -5.004 -0.276 114 HB3 CYS 19 HB3 CYS 19 -7.165 -5.767 1.058 115 H ALA 20 H ALA 20 -6.484 -7.756 1.296 116 HA ALA 20 HA ALA 20 -7.866 -10.120 0.453 117 HB1 ALA 20 HB1 ALA 20 -6.961 -9.193 3.196 118 HB2 ALA 20 HB2 ALA 20 -6.007 -10.169 2.093 119 HB3 ALA 20 HB3 ALA 20 -7.495 -10.824 2.781 120 H SER 21 H SER 21 -9.853 -10.817 1.739 121 HA SER 21 HA SER 21 -11.839 -8.838 1.542 122 HB2 SER 21 HB2 SER 21 -11.929 -11.507 2.963 123 HB3 SER 21 HB3 SER 21 -13.320 -10.548 2.457 124 HG SER 21 HG SER 21 -12.269 -10.662 0.314 125 H GLY 22 H GLY 22 -12.334 -7.285 2.924 126 HA2 GLY 22 HA2 GLY 22 -13.020 -6.552 5.068 127 HA3 GLY 22 HA3 GLY 22 -11.974 -7.766 5.789 128 H THR 23 H THR 23 -10.345 -6.299 3.282 129 HA THR 23 HA THR 23 -9.271 -4.189 5.013 130 HB THR 23 HB THR 23 -6.969 -4.669 4.024 131 HG1 THR 23 HG1 THR 23 -8.424 -6.679 2.778 132 HG21 THR 23 HG21 THR 23 -6.499 -6.651 5.418 133 HG22 THR 23 HG22 THR 23 -8.235 -6.873 5.657 134 HG23 THR 23 HG23 THR 23 -7.433 -5.429 6.269 135 H THR 24 H THR 24 -8.455 -2.297 3.863 136 HA THR 24 HA THR 24 -9.254 -2.212 1.053 137 HB THR 24 HB THR 24 -10.043 0.197 1.550 138 HG1 THR 24 HG1 THR 24 -9.269 -0.417 3.996 139 HG21 THR 24 HG21 THR 24 -11.589 -1.607 0.934 140 HG22 THR 24 HG22 THR 24 -12.307 -0.560 2.160 141 HG23 THR 24 HG23 THR 24 -11.652 -2.130 2.617 142 H CYS 25 H CYS 25 -7.932 -1.023 -0.276 143 HA CYS 25 HA CYS 25 -5.329 -0.411 0.727 144 HB2 CYS 25 HB2 CYS 25 -5.800 -1.277 -1.588 145 HB3 CYS 25 HB3 CYS 25 -6.511 0.297 -1.952 146 H GLN 26 H GLN 26 -4.939 1.368 1.917 147 HA GLN 26 HA GLN 26 -6.437 3.724 1.214 148 HB2 GLN 26 HB2 GLN 26 -5.150 2.898 3.798 149 HB3 GLN 26 HB3 GLN 26 -5.956 4.442 3.532 150 HG2 GLN 26 HG2 GLN 26 -8.034 3.124 2.971 151 HG3 GLN 26 HG3 GLN 26 -7.173 1.691 3.516 152 HE21 GLN 26 HE21 GLN 26 -8.566 1.281 5.171 153 HE22 GLN 26 HE22 GLN 26 -8.705 2.250 6.574 154 H VAL 27 H VAL 27 -5.400 5.509 0.679 155 HA VAL 27 HA VAL 27 -2.599 5.274 0.032 156 HB VAL 27 HB VAL 27 -4.583 7.510 -0.512 157 HG11 VAL 27 HG11 VAL 27 -2.295 8.355 -0.428 158 HG12 VAL 27 HG12 VAL 27 -2.915 8.385 -2.079 159 HG13 VAL 27 HG13 VAL 27 -1.787 7.125 -1.580 160 HG21 VAL 27 HG21 VAL 27 -4.543 6.697 -2.820 161 HG22 VAL 27 HG22 VAL 27 -5.115 5.444 -1.710 162 HG23 VAL 27 HG23 VAL 27 -3.464 5.391 -2.338 163 H LEU 28 H LEU 28 -1.295 5.587 1.672 164 HA LEU 28 HA LEU 28 -1.862 7.561 3.741 165 HB2 LEU 28 HB2 LEU 28 0.570 5.822 3.332 166 HB3 LEU 28 HB3 LEU 28 0.214 6.761 4.764 167 HG LEU 28 HG LEU 28 -1.284 4.324 3.797 168 HD11 LEU 28 HD11 LEU 28 0.874 3.845 4.738 169 HD12 LEU 28 HD12 LEU 28 -0.408 3.316 5.833 170 HD13 LEU 28 HD13 LEU 28 0.493 4.795 6.175 171 HD21 LEU 28 HD21 LEU 28 -2.812 5.878 4.887 172 HD22 LEU 28 HD22 LEU 28 -1.677 5.998 6.246 173 HD23 LEU 28 HD23 LEU 28 -2.470 4.462 5.895 174 H ASN 29 H ASN 29 0.271 6.971 1.051 175 HA ASN 29 HA ASN 29 1.083 9.739 0.937 176 HB2 ASN 29 HB2 ASN 29 3.020 7.375 0.970 177 HB3 ASN 29 HB3 ASN 29 3.443 9.027 0.563 178 HD21 ASN 29 HD21 ASN 29 2.761 6.808 3.130 179 HD22 ASN 29 HD22 ASN 29 3.212 7.864 4.417 180 HA PRO 30 HA PRO 30 0.402 8.810 -3.326 181 HB2 PRO 30 HB2 PRO 30 2.857 9.606 -4.498 182 HB3 PRO 30 HB3 PRO 30 1.342 10.493 -4.488 183 HG2 PRO 30 HG2 PRO 30 3.697 11.136 -3.062 184 HG3 PRO 30 HG3 PRO 30 2.118 11.916 -2.912 185 HD2 PRO 30 HD2 PRO 30 3.468 10.110 -1.104 186 HD3 PRO 30 HD3 PRO 30 2.008 11.065 -0.820 187 H TYR 31 H TYR 31 3.707 7.931 -2.431 188 HA TYR 31 HA TYR 31 3.593 5.784 -4.382 189 HB2 TYR 31 HB2 TYR 31 5.810 6.746 -2.576 190 HB3 TYR 31 HB3 TYR 31 5.963 5.361 -3.646 191 HD1 TYR 31 HD1 TYR 31 6.862 5.706 -5.744 192 HD2 TYR 31 HD2 TYR 31 5.054 8.991 -3.753 193 HE1 TYR 31 HE1 TYR 31 7.577 7.192 -7.556 194 HE2 TYR 31 HE2 TYR 31 5.766 10.485 -5.561 195 HH TYR 31 HH TYR 31 7.475 10.559 -7.291 196 H TYR 32 H TYR 32 3.333 6.282 -0.946 197 HA TYR 32 HA TYR 32 3.320 3.378 -0.634 198 HB2 TYR 32 HB2 TYR 32 4.866 4.695 0.823 199 HB3 TYR 32 HB3 TYR 32 3.451 5.425 1.568 200 HD1 TYR 32 HD1 TYR 32 5.071 2.154 0.921 201 HD2 TYR 32 HD2 TYR 32 2.391 4.363 3.363 202 HE1 TYR 32 HE1 TYR 32 4.990 0.282 2.503 203 HE2 TYR 32 HE2 TYR 32 2.279 2.509 4.950 204 HH TYR 32 HH TYR 32 2.779 0.215 5.191 205 H SER 33 H SER 33 1.400 2.518 -0.817 206 HA SER 33 HA SER 33 -0.813 3.781 0.617 207 HB2 SER 33 HB2 SER 33 -1.039 1.973 -1.836 208 HB3 SER 33 HB3 SER 33 -2.340 2.829 -1.023 209 HG SER 33 HG SER 33 -1.382 3.736 -3.012 210 H GLN 34 H GLN 34 -1.744 2.440 2.116 211 HA GLN 34 HA GLN 34 -0.544 -0.222 2.301 212 HB2 GLN 34 HB2 GLN 34 0.442 1.362 3.919 213 HB3 GLN 34 HB3 GLN 34 -1.163 1.683 4.551 214 HG2 GLN 34 HG2 GLN 34 -1.362 -0.573 5.328 215 HG3 GLN 34 HG3 GLN 34 0.173 -1.005 4.578 216 HE21 GLN 34 HE21 GLN 34 -1.354 0.544 7.214 217 HE22 GLN 34 HE22 GLN 34 0.079 0.850 8.133 218 H CYS 35 H CYS 35 -1.907 -1.824 2.834 219 HA CYS 35 HA CYS 35 -4.687 -1.176 2.525 220 HB2 CYS 35 HB2 CYS 35 -3.533 -3.260 1.525 221 HB3 CYS 35 HB3 CYS 35 -3.634 -3.908 3.153 222 H LEU 36 H LEU 36 -5.921 -0.661 4.057 223 HA LEU 36 HA LEU 36 -5.496 -1.717 6.716 224 HB2 LEU 36 HB2 LEU 36 -6.283 1.080 5.901 225 HB3 LEU 36 HB3 LEU 36 -6.401 0.466 7.537 226 HG LEU 36 HG LEU 36 -3.807 0.705 5.999 227 HD11 LEU 36 HD11 LEU 36 -4.993 2.504 8.107 228 HD12 LEU 36 HD12 LEU 36 -4.752 2.907 6.408 229 HD13 LEU 36 HD13 LEU 36 -3.361 2.623 7.455 230 HD21 LEU 36 HD21 LEU 36 -3.717 -1.005 7.710 231 HD22 LEU 36 HD22 LEU 36 -4.443 0.090 8.882 232 HD23 LEU 36 HD23 LEU 36 -2.827 0.413 8.273 233 H1 MAN 101 H1 MAN 101 1.891 -8.561 3.962 234 H2 MAN 101 H2 MAN 101 2.666 -6.192 3.709 235 H3 MAN 101 H3 MAN 101 1.739 -5.825 1.425 236 H4 MAN 101 H4 MAN 101 3.925 -7.773 0.707 237 H5 MAN 101 H5 MAN 101 0.870 -7.860 0.485 238 H61 MAN 101 H61 MAN 101 2.983 -9.887 -0.362 239 H62 MAN 101 H62 MAN 101 1.886 -9.017 -1.453 240 HO2 MAN 101 HO2 MAN 101 4.148 -7.959 3.895 241 HO3 MAN 101 HO3 MAN 101 4.588 -5.682 1.564 242 HO4 MAN 101 HO4 MAN 101 3.672 -5.982 -0.630 243 HO6 MAN 101 HO6 MAN 101 0.113 -10.135 -0.531 Start of MODEL 3 1 H1 THR 1 H1 THR 1 -1.865 -11.891 -2.062 2 H2 THR 1 H2 THR 1 -1.513 -10.999 -3.448 3 H3 THR 1 H3 THR 1 -2.741 -12.193 -3.462 4 HA THR 1 HA THR 1 -3.699 -9.946 -3.266 5 HB THR 1 HB THR 1 -3.969 -11.422 -0.671 6 HG1 THR 1 HG1 THR 1 -5.358 -12.258 -3.009 7 HG21 THR 1 HG21 THR 1 -5.988 -10.189 -2.552 8 HG22 THR 1 HG22 THR 1 -5.415 -9.494 -1.036 9 HG23 THR 1 HG23 THR 1 -6.367 -10.978 -1.022 10 H ALA 2 H ALA 2 -3.860 -8.085 -1.928 11 HA ALA 2 HA ALA 2 -1.379 -7.430 -0.625 12 HB1 ALA 2 HB1 ALA 2 -2.494 -5.752 -2.028 13 HB2 ALA 2 HB2 ALA 2 -2.336 -5.192 -0.365 14 HB3 ALA 2 HB3 ALA 2 -3.891 -5.765 -0.954 15 H SER 3 H SER 3 -0.999 -7.564 1.446 16 HA SER 3 HA SER 3 -3.001 -8.755 3.123 17 HB2 SER 3 HB2 SER 3 -1.100 -9.111 4.581 18 HB3 SER 3 HB3 SER 3 -0.704 -9.592 2.925 19 H HIS 4 H HIS 4 -3.097 -7.970 5.383 20 HA HIS 4 HA HIS 4 -3.822 -5.225 5.481 21 HB2 HIS 4 HB2 HIS 4 -4.887 -7.154 6.763 22 HB3 HIS 4 HB3 HIS 4 -3.474 -7.170 7.790 23 HD1 HIS 4 HD1 HIS 4 -5.071 -6.588 9.824 24 HD2 HIS 4 HD2 HIS 4 -4.902 -3.716 6.844 25 HE1 HIS 4 HE1 HIS 4 -6.208 -4.591 10.769 26 HE2 HIS 4 HE2 HIS 4 -6.498 -3.132 8.767 27 H TYR 5 H TYR 5 -2.496 -3.578 5.882 28 HA TYR 5 HA TYR 5 -0.836 -2.319 6.559 29 HB2 TYR 5 HB2 TYR 5 -0.133 -4.635 8.353 30 HB3 TYR 5 HB3 TYR 5 0.950 -3.257 8.219 31 HD1 TYR 5 HD1 TYR 5 0.491 -1.232 9.327 32 HD2 TYR 5 HD2 TYR 5 -2.497 -4.248 9.212 33 HE1 TYR 5 HE1 TYR 5 -0.840 0.031 10.959 34 HE2 TYR 5 HE2 TYR 5 -3.836 -2.982 10.847 35 HH TYR 5 HH TYR 5 -3.104 0.262 11.608 36 H GLY 6 H GLY 6 -0.696 -4.461 4.396 37 HA2 GLY 6 HA2 GLY 6 2.154 -4.153 3.796 38 HA3 GLY 6 HA3 GLY 6 1.007 -5.196 2.949 39 H GLN 7 H GLN 7 2.708 -3.345 1.615 40 HA GLN 7 HA GLN 7 1.136 -1.057 0.917 41 HB2 GLN 7 HB2 GLN 7 3.608 -0.991 0.674 42 HB3 GLN 7 HB3 GLN 7 3.510 -2.285 -0.515 43 HG2 GLN 7 HG2 GLN 7 2.364 -0.873 -2.075 44 HG3 GLN 7 HG3 GLN 7 2.220 0.423 -0.907 45 HE21 GLN 7 HE21 GLN 7 3.397 1.926 -2.275 46 HE22 GLN 7 HE22 GLN 7 5.063 1.735 -2.521 47 H CYS 8 H CYS 8 -0.482 -1.030 -0.367 48 HA CYS 8 HA CYS 8 -1.121 -3.464 -1.865 49 HB2 CYS 8 HB2 CYS 8 -3.433 -2.466 -1.829 50 HB3 CYS 8 HB3 CYS 8 -2.751 -2.951 -0.278 51 H GLY 9 H GLY 9 -1.005 0.067 -2.282 52 HA2 GLY 9 HA2 GLY 9 -0.902 -0.313 -5.148 53 HA3 GLY 9 HA3 GLY 9 -2.432 0.308 -4.537 54 H GLY 10 H GLY 10 0.988 0.914 -4.238 55 HA2 GLY 10 HA2 GLY 10 0.334 3.775 -4.239 56 HA3 GLY 10 HA3 GLY 10 1.840 3.075 -3.627 57 H ILE 11 H ILE 11 1.749 5.116 -5.542 58 HA ILE 11 HA ILE 11 1.930 4.134 -8.164 59 HB ILE 11 HB ILE 11 3.336 6.567 -6.991 60 HG12 ILE 11 HG12 ILE 11 0.591 6.342 -8.272 61 HG13 ILE 11 HG13 ILE 11 0.911 6.602 -6.569 62 HG21 ILE 11 HG21 ILE 11 4.206 5.923 -9.187 63 HG22 ILE 11 HG22 ILE 11 3.288 7.424 -9.301 64 HG23 ILE 11 HG23 ILE 11 2.569 5.909 -9.846 65 HD11 ILE 11 HD11 ILE 11 1.934 8.760 -7.072 66 HD12 ILE 11 HD12 ILE 11 0.275 8.673 -7.663 67 HD13 ILE 11 HD13 ILE 11 1.624 8.506 -8.790 68 H GLY 12 H GLY 12 3.422 2.886 -9.048 69 HA2 GLY 12 HA2 GLY 12 5.700 2.399 -9.581 70 HA3 GLY 12 HA3 GLY 12 6.148 2.919 -7.958 71 H TYR 13 H TYR 13 3.592 1.328 -7.164 72 HA TYR 13 HA TYR 13 5.065 -1.138 -6.710 73 HB2 TYR 13 HB2 TYR 13 3.974 0.003 -4.783 74 HB3 TYR 13 HB3 TYR 13 2.414 -0.222 -5.561 75 HD1 TYR 13 HD1 TYR 13 1.220 -2.255 -5.301 76 HD2 TYR 13 HD2 TYR 13 5.283 -2.015 -4.077 77 HE1 TYR 13 HE1 TYR 13 1.014 -4.446 -4.223 78 HE2 TYR 13 HE2 TYR 13 5.101 -4.207 -2.989 79 HH TYR 13 HH TYR 13 3.220 -5.611 -2.010 80 H SER 14 H SER 14 4.796 -2.767 -8.072 81 HA SER 14 HA SER 14 2.297 -2.899 -9.586 82 HB2 SER 14 HB2 SER 14 3.826 -4.257 -11.177 83 HB3 SER 14 HB3 SER 14 4.009 -2.502 -11.120 84 HG SER 14 HG SER 14 5.944 -2.804 -10.534 85 H GLY 15 H GLY 15 3.032 -4.064 -6.933 86 HA2 GLY 15 HA2 GLY 15 3.038 -6.959 -7.313 87 HA3 GLY 15 HA3 GLY 15 2.953 -6.064 -5.803 88 HA PRO 16 HA PRO 16 -1.288 -7.850 -6.209 89 HB2 PRO 16 HB2 PRO 16 -1.461 -8.050 -3.477 90 HB3 PRO 16 HB3 PRO 16 -0.834 -9.337 -4.514 91 HG2 PRO 16 HG2 PRO 16 0.710 -7.183 -3.075 92 HG3 PRO 16 HG3 PRO 16 0.995 -8.945 -3.063 93 HD2 PRO 16 HD2 PRO 16 2.433 -7.414 -4.585 94 HD3 PRO 16 HD3 PRO 16 1.736 -8.892 -5.275 95 H THR 17 H THR 17 -2.550 -6.084 -6.674 96 HA THR 17 HA THR 17 -2.461 -3.810 -4.863 97 HB THR 17 HB THR 17 -3.817 -2.667 -6.614 98 HG1 THR 17 HG1 THR 17 -3.312 -4.521 -8.567 99 HG21 THR 17 HG21 THR 17 -1.283 -3.988 -7.609 100 HG22 THR 17 HG22 THR 17 -1.365 -2.516 -6.649 101 HG23 THR 17 HG23 THR 17 -2.012 -2.535 -8.294 102 H VAL 18 H VAL 18 -4.333 -6.498 -5.644 103 HA VAL 18 HA VAL 18 -6.855 -5.485 -4.684 104 HB VAL 18 HB VAL 18 -6.007 -8.319 -5.360 105 HG11 VAL 18 HG11 VAL 18 -8.400 -8.802 -5.536 106 HG12 VAL 18 HG12 VAL 18 -8.767 -7.154 -5.031 107 HG13 VAL 18 HG13 VAL 18 -7.973 -8.259 -3.909 108 HG21 VAL 18 HG21 VAL 18 -7.191 -7.958 -7.484 109 HG22 VAL 18 HG22 VAL 18 -5.807 -6.879 -7.295 110 HG23 VAL 18 HG23 VAL 18 -7.439 -6.269 -7.039 111 H CYS 19 H CYS 19 -7.232 -5.304 -2.579 112 HA CYS 19 HA CYS 19 -5.621 -6.613 -0.600 113 HB2 CYS 19 HB2 CYS 19 -8.023 -4.806 -0.433 114 HB3 CYS 19 HB3 CYS 19 -7.298 -5.574 0.976 115 H ALA 20 H ALA 20 -6.548 -7.812 1.173 116 HA ALA 20 HA ALA 20 -8.201 -9.966 0.289 117 HB1 ALA 20 HB1 ALA 20 -6.366 -10.331 1.865 118 HB2 ALA 20 HB2 ALA 20 -7.897 -10.754 2.638 119 HB3 ALA 20 HB3 ALA 20 -7.106 -9.222 3.014 120 H SER 21 H SER 21 -10.301 -10.478 1.317 121 HA SER 21 HA SER 21 -11.991 -8.257 1.263 122 HB2 SER 21 HB2 SER 21 -12.513 -11.039 2.313 123 HB3 SER 21 HB3 SER 21 -13.747 -9.854 1.875 124 HG SER 21 HG SER 21 -12.320 -9.892 -0.194 125 H GLY 22 H GLY 22 -12.426 -6.811 2.713 126 HA2 GLY 22 HA2 GLY 22 -13.177 -6.255 4.948 127 HA3 GLY 22 HA3 GLY 22 -12.034 -7.448 5.558 128 H THR 23 H THR 23 -10.097 -6.425 3.442 129 HA THR 23 HA THR 23 -9.261 -4.123 5.025 130 HB THR 23 HB THR 23 -6.939 -4.592 4.095 131 HG1 THR 23 HG1 THR 23 -8.338 -6.533 2.738 132 HG21 THR 23 HG21 THR 23 -8.229 -6.785 5.721 133 HG22 THR 23 HG22 THR 23 -7.565 -5.281 6.353 134 HG23 THR 23 HG23 THR 23 -6.498 -6.473 5.612 135 H THR 24 H THR 24 -8.459 -2.239 3.976 136 HA THR 24 HA THR 24 -9.347 -2.002 1.195 137 HB THR 24 HB THR 24 -10.008 0.378 1.817 138 HG1 THR 24 HG1 THR 24 -9.188 -0.539 4.287 139 HG21 THR 24 HG21 THR 24 -12.198 -0.275 2.736 140 HG22 THR 24 HG22 THR 24 -11.557 -1.875 3.111 141 HG23 THR 24 HG23 THR 24 -11.699 -1.352 1.432 142 H CYS 25 H CYS 25 -7.957 -1.000 -0.124 143 HA CYS 25 HA CYS 25 -5.313 -0.426 0.792 144 HB2 CYS 25 HB2 CYS 25 -5.870 -1.342 -1.486 145 HB3 CYS 25 HB3 CYS 25 -6.552 0.236 -1.882 146 H GLN 26 H GLN 26 -4.826 1.428 1.898 147 HA GLN 26 HA GLN 26 -6.309 3.778 1.113 148 HB2 GLN 26 HB2 GLN 26 -5.226 2.943 3.779 149 HB3 GLN 26 HB3 GLN 26 -5.903 4.531 3.441 150 HG2 GLN 26 HG2 GLN 26 -8.046 3.445 2.840 151 HG3 GLN 26 HG3 GLN 26 -7.337 1.883 3.239 152 HE21 GLN 26 HE21 GLN 26 -8.845 1.475 4.806 153 HE22 GLN 26 HE22 GLN 26 -8.824 2.283 6.335 154 H VAL 27 H VAL 27 -5.212 5.498 0.571 155 HA VAL 27 HA VAL 27 -2.411 5.310 0.046 156 HB VAL 27 HB VAL 27 -4.390 7.591 -0.298 157 HG11 VAL 27 HG11 VAL 27 -2.126 8.486 -0.090 158 HG12 VAL 27 HG12 VAL 27 -2.717 8.648 -1.744 159 HG13 VAL 27 HG13 VAL 27 -1.564 7.376 -1.339 160 HG21 VAL 27 HG21 VAL 27 -4.302 7.013 -2.667 161 HG22 VAL 27 HG22 VAL 27 -4.829 5.639 -1.685 162 HG23 VAL 27 HG23 VAL 27 -3.184 5.698 -2.304 163 H LEU 28 H LEU 28 -0.921 5.689 1.538 164 HA LEU 28 HA LEU 28 -1.582 7.419 3.794 165 HB2 LEU 28 HB2 LEU 28 0.924 5.815 3.297 166 HB3 LEU 28 HB3 LEU 28 0.514 6.648 4.784 167 HG LEU 28 HG LEU 28 -0.682 4.131 3.654 168 HD11 LEU 28 HD11 LEU 28 0.037 3.188 5.772 169 HD12 LEU 28 HD12 LEU 28 0.664 4.761 6.258 170 HD13 LEU 28 HD13 LEU 28 1.385 3.911 4.895 171 HD21 LEU 28 HD21 LEU 28 -2.531 5.462 4.500 172 HD22 LEU 28 HD22 LEU 28 -1.655 5.735 6.008 173 HD23 LEU 28 HD23 LEU 28 -2.193 4.109 5.583 174 H ASN 29 H ASN 29 0.800 6.959 1.283 175 HA ASN 29 HA ASN 29 1.246 9.843 1.152 176 HB2 ASN 29 HB2 ASN 29 3.378 7.671 0.872 177 HB3 ASN 29 HB3 ASN 29 3.615 9.387 0.566 178 HD21 ASN 29 HD21 ASN 29 5.101 7.710 2.323 179 HD22 ASN 29 HD22 ASN 29 4.911 8.365 3.904 180 HA PRO 30 HA PRO 30 0.253 9.153 -3.069 181 HB2 PRO 30 HB2 PRO 30 2.539 10.026 -4.480 182 HB3 PRO 30 HB3 PRO 30 1.049 10.914 -4.204 183 HG2 PRO 30 HG2 PRO 30 3.615 11.354 -3.018 184 HG3 PRO 30 HG3 PRO 30 2.127 12.269 -2.765 185 HD2 PRO 30 HD2 PRO 30 3.440 10.452 -1.007 186 HD3 PRO 30 HD3 PRO 30 1.965 11.357 -0.677 187 H TYR 31 H TYR 31 3.536 8.056 -2.351 188 HA TYR 31 HA TYR 31 3.162 6.050 -4.422 189 HB2 TYR 31 HB2 TYR 31 5.696 6.811 -2.928 190 HB3 TYR 31 HB3 TYR 31 5.574 5.550 -4.133 191 HD1 TYR 31 HD1 TYR 31 5.695 6.020 -6.411 192 HD2 TYR 31 HD2 TYR 31 5.242 9.227 -3.667 193 HE1 TYR 31 HE1 TYR 31 6.105 7.612 -8.216 194 HE2 TYR 31 HE2 TYR 31 5.656 10.836 -5.480 195 HH TYR 31 HH TYR 31 5.655 9.929 -8.774 196 H TYR 32 H TYR 32 3.257 6.400 -0.976 197 HA TYR 32 HA TYR 32 3.268 3.475 -0.801 198 HB2 TYR 32 HB2 TYR 32 4.919 4.702 0.626 199 HB3 TYR 32 HB3 TYR 32 3.564 5.401 1.509 200 HD1 TYR 32 HD1 TYR 32 5.252 2.223 0.660 201 HD2 TYR 32 HD2 TYR 32 2.470 4.159 3.213 202 HE1 TYR 32 HE1 TYR 32 5.205 0.239 2.083 203 HE2 TYR 32 HE2 TYR 32 2.409 2.163 4.668 204 HH TYR 32 HH TYR 32 4.695 -0.289 4.437 205 H SER 33 H SER 33 1.362 2.584 -0.857 206 HA SER 33 HA SER 33 -0.802 3.794 0.706 207 HB2 SER 33 HB2 SER 33 -1.109 2.020 -1.765 208 HB3 SER 33 HB3 SER 33 -2.389 2.832 -0.878 209 HG SER 33 HG SER 33 -1.459 3.790 -2.899 210 H GLN 34 H GLN 34 -1.710 2.443 2.183 211 HA GLN 34 HA GLN 34 -0.540 -0.238 2.353 212 HB2 GLN 34 HB2 GLN 34 0.495 1.289 3.967 213 HB3 GLN 34 HB3 GLN 34 -1.092 1.722 4.579 214 HG2 GLN 34 HG2 GLN 34 -1.406 -0.500 5.431 215 HG3 GLN 34 HG3 GLN 34 0.110 -1.027 4.707 216 HE21 GLN 34 HE21 GLN 34 2.057 -0.376 5.641 217 HE22 GLN 34 HE22 GLN 34 2.138 0.229 7.243 218 H CYS 35 H CYS 35 -1.934 -1.842 2.918 219 HA CYS 35 HA CYS 35 -4.716 -1.145 2.610 220 HB2 CYS 35 HB2 CYS 35 -3.595 -3.156 1.490 221 HB3 CYS 35 HB3 CYS 35 -3.650 -3.917 3.072 222 H LEU 36 H LEU 36 -6.051 -0.833 4.186 223 HA LEU 36 HA LEU 36 -5.379 -1.800 6.851 224 HB2 LEU 36 HB2 LEU 36 -6.623 0.837 6.071 225 HB3 LEU 36 HB3 LEU 36 -6.385 0.270 7.712 226 HG LEU 36 HG LEU 36 -4.165 0.850 5.751 227 HD11 LEU 36 HD11 LEU 36 -5.128 2.445 8.122 228 HD12 LEU 36 HD12 LEU 36 -5.285 2.895 6.426 229 HD13 LEU 36 HD13 LEU 36 -3.690 2.790 7.165 230 HD21 LEU 36 HD21 LEU 36 -2.698 0.630 7.714 231 HD22 LEU 36 HD22 LEU 36 -3.538 -0.870 7.347 232 HD23 LEU 36 HD23 LEU 36 -4.084 0.139 8.686 233 H1 MAN 101 H1 MAN 101 1.403 -9.327 4.209 234 H2 MAN 101 H2 MAN 101 2.477 -6.628 3.353 235 H3 MAN 101 H3 MAN 101 4.599 -7.442 4.171 236 H4 MAN 101 H4 MAN 101 5.047 -9.236 2.464 237 H5 MAN 101 H5 MAN 101 3.024 -9.766 0.922 238 H61 MAN 101 H61 MAN 101 3.024 -10.743 3.800 239 H62 MAN 101 H62 MAN 101 3.625 -11.579 2.352 240 HO2 MAN 101 HO2 MAN 101 1.299 -6.869 5.361 241 HO3 MAN 101 HO3 MAN 101 3.743 -8.825 5.697 242 HO4 MAN 101 HO4 MAN 101 4.363 -7.842 0.739 243 HO6 MAN 101 HO6 MAN 101 1.107 -10.877 1.881 Start of MODEL 4 1 H1 THR 1 H1 THR 1 -1.905 -11.029 -3.481 2 H2 THR 1 H2 THR 1 -3.403 -11.787 -3.720 3 H3 THR 1 H3 THR 1 -2.646 -11.853 -2.205 4 HA THR 1 HA THR 1 -3.689 -9.447 -3.483 5 HB THR 1 HB THR 1 -5.136 -9.552 -1.354 6 HG1 THR 1 HG1 THR 1 -5.385 -12.093 -1.060 7 HG21 THR 1 HG21 THR 1 -6.818 -10.969 -2.432 8 HG22 THR 1 HG22 THR 1 -5.592 -11.635 -3.501 9 HG23 THR 1 HG23 THR 1 -6.035 -9.931 -3.624 10 H ALA 2 H ALA 2 -3.776 -7.694 -1.806 11 HA ALA 2 HA ALA 2 -1.239 -7.511 -0.447 12 HB1 ALA 2 HB1 ALA 2 -1.945 -5.192 0.003 13 HB2 ALA 2 HB2 ALA 2 -3.512 -5.532 -0.737 14 HB3 ALA 2 HB3 ALA 2 -2.040 -5.586 -1.710 15 H SER 3 H SER 3 -1.002 -7.704 1.653 16 HA SER 3 HA SER 3 -3.194 -8.794 3.134 17 HB2 SER 3 HB2 SER 3 -1.441 -9.316 4.838 18 HB3 SER 3 HB3 SER 3 -1.101 -10.023 3.264 19 H HIS 4 H HIS 4 -3.450 -8.101 5.414 20 HA HIS 4 HA HIS 4 -4.032 -5.352 5.506 21 HB2 HIS 4 HB2 HIS 4 -5.170 -7.235 6.823 22 HB3 HIS 4 HB3 HIS 4 -3.794 -7.193 7.896 23 HD1 HIS 4 HD1 HIS 4 -5.704 -6.542 9.727 24 HD2 HIS 4 HD2 HIS 4 -4.896 -3.715 6.801 25 HE1 HIS 4 HE1 HIS 4 -6.715 -4.409 10.534 26 HE2 HIS 4 HE2 HIS 4 -6.668 -3.011 8.436 27 H TYR 5 H TYR 5 -2.731 -3.737 5.947 28 HA TYR 5 HA TYR 5 -1.159 -2.452 6.748 29 HB2 TYR 5 HB2 TYR 5 -0.274 -4.809 8.429 30 HB3 TYR 5 HB3 TYR 5 0.544 -3.251 8.454 31 HD1 TYR 5 HD1 TYR 5 -2.257 -5.164 9.703 32 HD2 TYR 5 HD2 TYR 5 -0.763 -1.212 9.168 33 HE1 TYR 5 HE1 TYR 5 -3.846 -4.331 11.380 34 HE2 TYR 5 HE2 TYR 5 -2.355 -0.377 10.847 35 HH TYR 5 HH TYR 5 -4.595 -1.122 11.726 36 H GLY 6 H GLY 6 -0.897 -4.601 4.549 37 HA2 GLY 6 HA2 GLY 6 1.949 -4.212 4.028 38 HA3 GLY 6 HA3 GLY 6 0.861 -5.283 3.143 39 H GLN 7 H GLN 7 2.477 -3.549 1.750 40 HA GLN 7 HA GLN 7 1.089 -1.106 1.157 41 HB2 GLN 7 HB2 GLN 7 3.556 -1.315 0.967 42 HB3 GLN 7 HB3 GLN 7 3.334 -2.488 -0.330 43 HG2 GLN 7 HG2 GLN 7 2.299 -0.711 -1.685 44 HG3 GLN 7 HG3 GLN 7 2.613 0.436 -0.378 45 HE21 GLN 7 HE21 GLN 7 4.052 1.725 -1.694 46 HE22 GLN 7 HE22 GLN 7 5.595 1.116 -2.068 47 H CYS 8 H CYS 8 -0.504 -0.859 -0.267 48 HA CYS 8 HA CYS 8 -1.300 -3.248 -1.808 49 HB2 CYS 8 HB2 CYS 8 -3.574 -2.355 -1.599 50 HB3 CYS 8 HB3 CYS 8 -2.786 -2.703 -0.055 51 H GLY 9 H GLY 9 0.031 -0.259 -2.487 52 HA2 GLY 9 HA2 GLY 9 -0.252 -0.365 -5.191 53 HA3 GLY 9 HA3 GLY 9 -1.797 0.251 -4.667 54 H GLY 10 H GLY 10 1.634 0.896 -4.397 55 HA2 GLY 10 HA2 GLY 10 1.004 3.730 -4.118 56 HA3 GLY 10 HA3 GLY 10 2.590 2.989 -3.915 57 H ILE 11 H ILE 11 2.248 5.206 -5.525 58 HA ILE 11 HA ILE 11 1.882 4.604 -8.231 59 HB ILE 11 HB ILE 11 3.582 6.739 -6.944 60 HG12 ILE 11 HG12 ILE 11 0.765 6.817 -8.057 61 HG13 ILE 11 HG13 ILE 11 1.222 6.850 -6.358 62 HG21 ILE 11 HG21 ILE 11 3.459 7.900 -9.143 63 HG22 ILE 11 HG22 ILE 11 2.595 6.496 -9.793 64 HG23 ILE 11 HG23 ILE 11 4.263 6.327 -9.263 65 HD11 ILE 11 HD11 ILE 11 0.605 9.053 -7.156 66 HD12 ILE 11 HD12 ILE 11 1.866 8.966 -8.391 67 HD13 ILE 11 HD13 ILE 11 2.303 9.000 -6.683 68 H GLY 12 H GLY 12 2.976 3.282 -9.448 69 HA2 GLY 12 HA2 GLY 12 4.886 2.507 -10.588 70 HA3 GLY 12 HA3 GLY 12 5.895 3.203 -9.327 71 H TYR 13 H TYR 13 3.471 1.621 -7.806 72 HA TYR 13 HA TYR 13 5.164 -0.718 -7.421 73 HB2 TYR 13 HB2 TYR 13 4.715 0.436 -5.370 74 HB3 TYR 13 HB3 TYR 13 2.999 0.525 -5.713 75 HD1 TYR 13 HD1 TYR 13 1.614 -0.957 -4.652 76 HD2 TYR 13 HD2 TYR 13 5.684 -2.043 -5.200 77 HE1 TYR 13 HE1 TYR 13 1.235 -2.969 -3.328 78 HE2 TYR 13 HE2 TYR 13 5.318 -4.076 -3.865 79 HH TYR 13 HH TYR 13 2.107 -5.010 -2.833 80 H SER 14 H SER 14 4.664 -2.293 -8.736 81 HA SER 14 HA SER 14 1.906 -2.644 -9.585 82 HB2 SER 14 HB2 SER 14 3.101 -4.093 -11.337 83 HB3 SER 14 HB3 SER 14 3.303 -2.345 -11.438 84 HG SER 14 HG SER 14 5.153 -4.185 -11.242 85 H GLY 15 H GLY 15 3.295 -3.624 -7.057 86 HA2 GLY 15 HA2 GLY 15 3.202 -6.517 -7.235 87 HA3 GLY 15 HA3 GLY 15 3.339 -5.575 -5.748 88 HA PRO 16 HA PRO 16 -0.887 -7.589 -5.594 89 HB2 PRO 16 HB2 PRO 16 -0.711 -7.407 -2.802 90 HB3 PRO 16 HB3 PRO 16 -0.360 -8.852 -3.759 91 HG2 PRO 16 HG2 PRO 16 1.522 -6.742 -2.754 92 HG3 PRO 16 HG3 PRO 16 1.736 -8.514 -2.745 93 HD2 PRO 16 HD2 PRO 16 2.965 -7.048 -4.507 94 HD3 PRO 16 HD3 PRO 16 2.147 -8.530 -5.050 95 H THR 17 H THR 17 -2.342 -6.050 -6.066 96 HA THR 17 HA THR 17 -2.335 -3.588 -4.499 97 HB THR 17 HB THR 17 -3.707 -2.755 -6.503 98 HG1 THR 17 HG1 THR 17 -3.868 -4.000 -8.157 99 HG21 THR 17 HG21 THR 17 -0.800 -3.530 -6.899 100 HG22 THR 17 HG22 THR 17 -1.374 -2.075 -6.089 101 HG23 THR 17 HG23 THR 17 -1.667 -2.295 -7.814 102 H VAL 18 H VAL 18 -4.224 -6.274 -5.564 103 HA VAL 18 HA VAL 18 -6.735 -5.272 -4.611 104 HB VAL 18 HB VAL 18 -5.891 -8.060 -5.494 105 HG11 VAL 18 HG11 VAL 18 -7.843 -8.151 -4.056 106 HG12 VAL 18 HG12 VAL 18 -8.278 -8.515 -5.731 107 HG13 VAL 18 HG13 VAL 18 -8.631 -6.925 -5.046 108 HG21 VAL 18 HG21 VAL 18 -7.369 -5.894 -6.978 109 HG22 VAL 18 HG22 VAL 18 -7.051 -7.516 -7.582 110 HG23 VAL 18 HG23 VAL 18 -5.711 -6.407 -7.280 111 H CYS 19 H CYS 19 -7.500 -5.527 -2.558 112 HA CYS 19 HA CYS 19 -5.719 -6.741 -0.616 113 HB2 CYS 19 HB2 CYS 19 -8.140 -4.970 -0.334 114 HB3 CYS 19 HB3 CYS 19 -7.356 -5.752 1.035 115 H ALA 20 H ALA 20 -6.917 -7.781 1.314 116 HA ALA 20 HA ALA 20 -8.342 -10.075 0.288 117 HB1 ALA 20 HB1 ALA 20 -8.002 -10.963 2.558 118 HB2 ALA 20 HB2 ALA 20 -7.332 -9.413 3.064 119 HB3 ALA 20 HB3 ALA 20 -6.482 -10.387 1.869 120 H SER 21 H SER 21 -10.218 -10.860 1.718 121 HA SER 21 HA SER 21 -12.317 -9.013 1.636 122 HB2 SER 21 HB2 SER 21 -12.181 -11.588 3.221 123 HB3 SER 21 HB3 SER 21 -13.622 -10.800 2.566 124 HG SER 21 HG SER 21 -12.545 -11.082 0.471 125 H GLY 22 H GLY 22 -12.491 -7.300 2.980 126 HA2 GLY 22 HA2 GLY 22 -13.155 -6.558 5.149 127 HA3 GLY 22 HA3 GLY 22 -12.091 -7.772 5.843 128 H THR 23 H THR 23 -10.619 -6.194 3.226 129 HA THR 23 HA THR 23 -9.429 -4.197 4.998 130 HB THR 23 HB THR 23 -7.146 -4.734 3.911 131 HG1 THR 23 HG1 THR 23 -8.725 -6.671 2.774 132 HG21 THR 23 HG21 THR 23 -7.653 -5.336 6.235 133 HG22 THR 23 HG22 THR 23 -6.663 -6.569 5.455 134 HG23 THR 23 HG23 THR 23 -8.393 -6.840 5.682 135 H THR 24 H THR 24 -8.548 -2.307 3.916 136 HA THR 24 HA THR 24 -9.446 -2.070 1.141 137 HB THR 24 HB THR 24 -10.081 0.312 1.695 138 HG1 THR 24 HG1 THR 24 -9.280 -0.536 4.196 139 HG21 THR 24 HG21 THR 24 -12.288 -0.287 2.589 140 HG22 THR 24 HG22 THR 24 -11.674 -1.878 3.041 141 HG23 THR 24 HG23 THR 24 -11.780 -1.423 1.339 142 H CYS 25 H CYS 25 -8.115 -0.910 -0.204 143 HA CYS 25 HA CYS 25 -5.464 -0.422 0.755 144 HB2 CYS 25 HB2 CYS 25 -5.960 -1.293 -1.543 145 HB3 CYS 25 HB3 CYS 25 -6.674 0.276 -1.918 146 H GLN 26 H GLN 26 -4.882 1.412 1.767 147 HA GLN 26 HA GLN 26 -6.397 3.781 1.095 148 HB2 GLN 26 HB2 GLN 26 -5.241 2.884 3.717 149 HB3 GLN 26 HB3 GLN 26 -5.893 4.490 3.421 150 HG2 GLN 26 HG2 GLN 26 -8.071 3.507 2.873 151 HG3 GLN 26 HG3 GLN 26 -7.415 1.904 3.151 152 HE21 GLN 26 HE21 GLN 26 -8.925 1.474 4.703 153 HE22 GLN 26 HE22 GLN 26 -8.886 2.162 6.275 154 H VAL 27 H VAL 27 -5.316 5.430 0.414 155 HA VAL 27 HA VAL 27 -2.492 5.205 -0.052 156 HB VAL 27 HB VAL 27 -4.452 7.431 -0.720 157 HG11 VAL 27 HG11 VAL 27 -2.713 8.279 -2.240 158 HG12 VAL 27 HG12 VAL 27 -1.599 7.046 -1.647 159 HG13 VAL 27 HG13 VAL 27 -2.176 8.307 -0.562 160 HG21 VAL 27 HG21 VAL 27 -4.278 6.568 -3.010 161 HG22 VAL 27 HG22 VAL 27 -4.933 5.360 -1.899 162 HG23 VAL 27 HG23 VAL 27 -3.253 5.259 -2.427 163 H LEU 28 H LEU 28 -1.113 5.723 1.440 164 HA LEU 28 HA LEU 28 -1.846 7.652 3.527 165 HB2 LEU 28 HB2 LEU 28 0.594 5.893 3.296 166 HB3 LEU 28 HB3 LEU 28 0.170 6.871 4.681 167 HG LEU 28 HG LEU 28 -1.249 4.395 3.696 168 HD11 LEU 28 HD11 LEU 28 -0.534 3.457 5.807 169 HD12 LEU 28 HD12 LEU 28 0.218 4.991 6.241 170 HD13 LEU 28 HD13 LEU 28 0.848 4.060 4.885 171 HD21 LEU 28 HD21 LEU 28 -2.890 5.985 4.541 172 HD22 LEU 28 HD22 LEU 28 -1.931 6.185 6.014 173 HD23 LEU 28 HD23 LEU 28 -2.676 4.627 5.651 174 H ASN 29 H ASN 29 0.575 6.922 1.115 175 HA ASN 29 HA ASN 29 1.266 9.727 0.876 176 HB2 ASN 29 HB2 ASN 29 3.251 7.391 1.014 177 HB3 ASN 29 HB3 ASN 29 3.660 9.055 0.617 178 HD21 ASN 29 HD21 ASN 29 2.897 6.829 3.171 179 HD22 ASN 29 HD22 ASN 29 3.238 7.872 4.484 180 HA PRO 30 HA PRO 30 0.631 8.664 -3.365 181 HB2 PRO 30 HB2 PRO 30 3.109 9.386 -4.533 182 HB3 PRO 30 HB3 PRO 30 1.595 10.274 -4.587 183 HG2 PRO 30 HG2 PRO 30 3.924 10.983 -3.164 184 HG3 PRO 30 HG3 PRO 30 2.338 11.755 -3.050 185 HD2 PRO 30 HD2 PRO 30 3.693 10.016 -1.170 186 HD3 PRO 30 HD3 PRO 30 2.238 10.986 -0.921 187 H TYR 31 H TYR 31 3.945 7.766 -2.450 188 HA TYR 31 HA TYR 31 3.746 5.594 -4.341 189 HB2 TYR 31 HB2 TYR 31 6.111 6.404 -2.612 190 HB3 TYR 31 HB3 TYR 31 6.115 5.167 -3.857 191 HD1 TYR 31 HD1 TYR 31 5.902 8.826 -3.276 192 HD2 TYR 31 HD2 TYR 31 6.296 5.738 -6.178 193 HE1 TYR 31 HE1 TYR 31 6.536 10.494 -4.961 194 HE2 TYR 31 HE2 TYR 31 6.929 7.414 -7.864 195 HH TYR 31 HH TYR 31 7.835 10.525 -7.039 196 H TYR 32 H TYR 32 3.537 6.163 -0.903 197 HA TYR 32 HA TYR 32 3.432 3.257 -0.516 198 HB2 TYR 32 HB2 TYR 32 5.008 4.483 0.979 199 HB3 TYR 32 HB3 TYR 32 3.626 5.336 1.667 200 HD1 TYR 32 HD1 TYR 32 5.131 1.990 1.219 201 HD2 TYR 32 HD2 TYR 32 2.275 4.319 3.345 202 HE1 TYR 32 HE1 TYR 32 4.781 0.135 2.775 203 HE2 TYR 32 HE2 TYR 32 1.931 2.455 4.919 204 HH TYR 32 HH TYR 32 4.023 -0.152 5.081 205 H SER 33 H SER 33 1.518 2.414 -0.660 206 HA SER 33 HA SER 33 -0.728 3.757 0.670 207 HB2 SER 33 HB2 SER 33 -0.798 1.909 -1.745 208 HB3 SER 33 HB3 SER 33 -2.199 2.677 -1.007 209 HG SER 33 HG SER 33 -1.291 3.698 -2.907 210 H GLN 34 H GLN 34 -1.813 2.402 2.136 211 HA GLN 34 HA GLN 34 -0.585 -0.252 2.440 212 HB2 GLN 34 HB2 GLN 34 0.198 1.496 4.082 213 HB3 GLN 34 HB3 GLN 34 -1.450 1.575 4.676 214 HG2 GLN 34 HG2 GLN 34 -1.340 -0.773 5.301 215 HG3 GLN 34 HG3 GLN 34 0.317 -0.856 4.705 216 HE21 GLN 34 HE21 GLN 34 1.208 -1.367 6.649 217 HE22 GLN 34 HE22 GLN 34 1.271 -0.303 7.997 218 H CYS 35 H CYS 35 -2.003 -1.895 2.938 219 HA CYS 35 HA CYS 35 -4.789 -1.231 2.559 220 HB2 CYS 35 HB2 CYS 35 -3.662 -3.335 1.529 221 HB3 CYS 35 HB3 CYS 35 -3.770 -4.002 3.152 222 H LEU 36 H LEU 36 -6.008 -0.716 4.143 223 HA LEU 36 HA LEU 36 -5.371 -1.651 6.826 224 HB2 LEU 36 HB2 LEU 36 -6.560 0.986 5.966 225 HB3 LEU 36 HB3 LEU 36 -6.258 0.493 7.619 226 HG LEU 36 HG LEU 36 -4.132 0.938 5.521 227 HD11 LEU 36 HD11 LEU 36 -4.923 2.635 7.880 228 HD12 LEU 36 HD12 LEU 36 -5.168 3.026 6.181 229 HD13 LEU 36 HD13 LEU 36 -3.533 2.910 6.830 230 HD21 LEU 36 HD21 LEU 36 -3.899 0.322 8.464 231 HD22 LEU 36 HD22 LEU 36 -2.564 0.766 7.401 232 HD23 LEU 36 HD23 LEU 36 -3.447 -0.733 7.126 233 H1 MAN 101 H1 MAN 101 1.149 -9.972 2.859 234 H2 MAN 101 H2 MAN 101 2.389 -7.182 3.124 235 H3 MAN 101 H3 MAN 101 4.349 -8.090 2.159 236 H4 MAN 101 H4 MAN 101 3.562 -8.768 -0.160 237 H5 MAN 101 H5 MAN 101 1.035 -8.564 -0.506 238 H61 MAN 101 H61 MAN 101 2.122 -10.869 1.181 239 H62 MAN 101 H62 MAN 101 1.922 -10.814 -0.571 240 HO2 MAN 101 HO2 MAN 101 3.818 -8.518 4.466 241 HO3 MAN 101 HO3 MAN 101 4.098 -10.137 3.025 242 HO4 MAN 101 HO4 MAN 101 3.697 -6.583 0.540 243 HO6 MAN 101 HO6 MAN 101 -0.433 -10.354 -0.020 Start of MODEL 5 1 H1 THR 1 H1 THR 1 -1.179 -11.049 -3.155 2 H2 THR 1 H2 THR 1 -2.325 -12.297 -2.996 3 H3 THR 1 H3 THR 1 -1.523 -11.694 -1.646 4 HA THR 1 HA THR 1 -3.369 -10.075 -3.253 5 HB THR 1 HB THR 1 -3.849 -11.265 -0.517 6 HG1 THR 1 HG1 THR 1 -4.534 -13.093 -1.408 7 HG21 THR 1 HG21 THR 1 -5.318 -9.436 -1.295 8 HG22 THR 1 HG22 THR 1 -6.200 -10.947 -1.111 9 HG23 THR 1 HG23 THR 1 -5.734 -10.390 -2.719 10 H ALA 2 H ALA 2 -3.821 -8.051 -2.000 11 HA ALA 2 HA ALA 2 -1.449 -7.182 -0.655 12 HB1 ALA 2 HB1 ALA 2 -4.051 -5.731 -1.227 13 HB2 ALA 2 HB2 ALA 2 -2.549 -5.637 -2.157 14 HB3 ALA 2 HB3 ALA 2 -2.605 -5.008 -0.514 15 H SER 3 H SER 3 -1.132 -7.573 1.283 16 HA SER 3 HA SER 3 -3.148 -8.678 2.949 17 HB2 SER 3 HB2 SER 3 -1.052 -9.013 4.393 18 HB3 SER 3 HB3 SER 3 -1.178 -9.898 2.869 19 H HIS 4 H HIS 4 -3.512 -8.042 5.083 20 HA HIS 4 HA HIS 4 -3.980 -5.296 5.479 21 HB2 HIS 4 HB2 HIS 4 -5.130 -7.317 6.610 22 HB3 HIS 4 HB3 HIS 4 -3.736 -7.361 7.666 23 HD1 HIS 4 HD1 HIS 4 -5.278 -6.856 9.718 24 HD2 HIS 4 HD2 HIS 4 -5.273 -3.898 6.811 25 HE1 HIS 4 HE1 HIS 4 -6.434 -4.891 10.753 26 HE2 HIS 4 HE2 HIS 4 -6.723 -3.299 8.879 27 H TYR 5 H TYR 5 -2.562 -3.776 5.906 28 HA TYR 5 HA TYR 5 -0.938 -2.587 6.822 29 HB2 TYR 5 HB2 TYR 5 -0.119 -5.079 8.330 30 HB3 TYR 5 HB3 TYR 5 0.774 -3.566 8.437 31 HD1 TYR 5 HD1 TYR 5 -2.187 -5.391 9.498 32 HD2 TYR 5 HD2 TYR 5 -0.305 -1.580 9.434 33 HE1 TYR 5 HE1 TYR 5 -3.715 -4.608 11.252 34 HE2 TYR 5 HE2 TYR 5 -1.833 -0.788 11.197 35 HH TYR 5 HH TYR 5 -3.773 -2.880 12.995 36 H GLY 6 H GLY 6 -0.692 -4.741 4.536 37 HA2 GLY 6 HA2 GLY 6 2.143 -4.278 4.047 38 HA3 GLY 6 HA3 GLY 6 1.089 -5.370 3.142 39 H GLN 7 H GLN 7 2.696 -3.579 1.791 40 HA GLN 7 HA GLN 7 1.207 -1.217 1.161 41 HB2 GLN 7 HB2 GLN 7 3.646 -1.188 0.862 42 HB3 GLN 7 HB3 GLN 7 3.535 -2.505 -0.312 43 HG2 GLN 7 HG2 GLN 7 2.405 -1.075 -1.865 44 HG3 GLN 7 HG3 GLN 7 2.314 0.230 -0.693 45 HE21 GLN 7 HE21 GLN 7 3.507 1.668 -2.060 46 HE22 GLN 7 HE22 GLN 7 5.168 1.420 -2.329 47 H CYS 8 H CYS 8 -0.310 -0.979 -0.266 48 HA CYS 8 HA CYS 8 -1.121 -3.399 -1.698 49 HB2 CYS 8 HB2 CYS 8 -3.371 -2.351 -1.702 50 HB3 CYS 8 HB3 CYS 8 -2.711 -2.741 -0.114 51 H GLY 9 H GLY 9 -0.857 0.145 -2.205 52 HA2 GLY 9 HA2 GLY 9 -0.526 -0.320 -5.036 53 HA3 GLY 9 HA3 GLY 9 -2.117 0.271 -4.567 54 H GLY 10 H GLY 10 1.286 1.044 -4.197 55 HA2 GLY 10 HA2 GLY 10 0.492 3.883 -4.267 56 HA3 GLY 10 HA3 GLY 10 2.027 3.279 -3.613 57 H ILE 11 H ILE 11 1.993 5.277 -5.511 58 HA ILE 11 HA ILE 11 2.155 4.362 -8.156 59 HB ILE 11 HB ILE 11 3.611 6.733 -6.936 60 HG12 ILE 11 HG12 ILE 11 0.884 6.555 -8.251 61 HG13 ILE 11 HG13 ILE 11 1.208 6.856 -6.560 62 HG21 ILE 11 HG21 ILE 11 4.531 6.100 -9.114 63 HG22 ILE 11 HG22 ILE 11 3.650 7.623 -9.233 64 HG23 ILE 11 HG23 ILE 11 2.913 6.132 -9.818 65 HD11 ILE 11 HD11 ILE 11 2.257 8.977 -7.086 66 HD12 ILE 11 HD12 ILE 11 0.616 8.914 -7.736 67 HD13 ILE 11 HD13 ILE 11 1.997 8.693 -8.805 68 H GLY 12 H GLY 12 3.552 3.074 -9.072 69 HA2 GLY 12 HA2 GLY 12 5.778 2.524 -9.709 70 HA3 GLY 12 HA3 GLY 12 6.330 3.039 -8.119 71 H TYR 13 H TYR 13 3.655 1.492 -7.390 72 HA TYR 13 HA TYR 13 5.090 -1.004 -6.921 73 HB2 TYR 13 HB2 TYR 13 4.264 0.150 -4.923 74 HB3 TYR 13 HB3 TYR 13 2.635 0.151 -5.579 75 HD1 TYR 13 HD1 TYR 13 1.198 -1.665 -5.185 76 HD2 TYR 13 HD2 TYR 13 5.342 -2.067 -4.360 77 HE1 TYR 13 HE1 TYR 13 0.756 -3.785 -4.042 78 HE2 TYR 13 HE2 TYR 13 4.903 -4.192 -3.203 79 HH TYR 13 HH TYR 13 1.791 -5.710 -3.343 80 H SER 14 H SER 14 4.738 -2.394 -8.521 81 HA SER 14 HA SER 14 2.088 -2.615 -9.709 82 HB2 SER 14 HB2 SER 14 3.399 -3.895 -11.451 83 HB3 SER 14 HB3 SER 14 3.819 -2.187 -11.304 84 HG SER 14 HG SER 14 5.730 -3.227 -11.299 85 H GLY 15 H GLY 15 2.878 -3.708 -7.080 86 HA2 GLY 15 HA2 GLY 15 2.962 -6.604 -7.468 87 HA3 GLY 15 HA3 GLY 15 2.939 -5.772 -5.910 88 HA PRO 16 HA PRO 16 -1.294 -7.629 -6.445 89 HB2 PRO 16 HB2 PRO 16 -1.424 -8.106 -3.732 90 HB3 PRO 16 HB3 PRO 16 -0.803 -9.273 -4.904 91 HG2 PRO 16 HG2 PRO 16 0.731 -7.239 -3.313 92 HG3 PRO 16 HG3 PRO 16 1.055 -8.996 -3.423 93 HD2 PRO 16 HD2 PRO 16 2.456 -7.350 -4.836 94 HD3 PRO 16 HD3 PRO 16 1.740 -8.751 -5.672 95 H THR 17 H THR 17 -2.577 -5.854 -6.718 96 HA THR 17 HA THR 17 -2.531 -3.778 -4.679 97 HB THR 17 HB THR 17 -3.880 -2.447 -6.356 98 HG1 THR 17 HG1 THR 17 -3.869 -3.188 -8.464 99 HG21 THR 17 HG21 THR 17 -1.195 -3.462 -7.320 100 HG22 THR 17 HG22 THR 17 -1.445 -2.164 -6.153 101 HG23 THR 17 HG23 THR 17 -1.978 -1.961 -7.822 102 H VAL 18 H VAL 18 -4.295 -6.457 -5.478 103 HA VAL 18 HA VAL 18 -6.906 -5.477 -4.673 104 HB VAL 18 HB VAL 18 -5.950 -8.294 -5.258 105 HG11 VAL 18 HG11 VAL 18 -7.925 -8.313 -3.857 106 HG12 VAL 18 HG12 VAL 18 -8.318 -8.870 -5.482 107 HG13 VAL 18 HG13 VAL 18 -8.766 -7.240 -4.981 108 HG21 VAL 18 HG21 VAL 18 -5.767 -6.875 -7.216 109 HG22 VAL 18 HG22 VAL 18 -7.437 -6.348 -7.011 110 HG23 VAL 18 HG23 VAL 18 -7.083 -8.030 -7.416 111 H CYS 19 H CYS 19 -7.434 -5.323 -2.579 112 HA CYS 19 HA CYS 19 -5.813 -6.612 -0.577 113 HB2 CYS 19 HB2 CYS 19 -8.086 -4.646 -0.420 114 HB3 CYS 19 HB3 CYS 19 -7.409 -5.448 0.995 115 H ALA 20 H ALA 20 -6.716 -7.769 1.192 116 HA ALA 20 HA ALA 20 -8.390 -9.903 0.326 117 HB1 ALA 20 HB1 ALA 20 -6.484 -10.251 1.807 118 HB2 ALA 20 HB2 ALA 20 -7.983 -10.803 2.564 119 HB3 ALA 20 HB3 ALA 20 -7.258 -9.270 3.053 120 H SER 21 H SER 21 -10.150 -10.639 1.958 121 HA SER 21 HA SER 21 -12.287 -8.840 1.803 122 HB2 SER 21 HB2 SER 21 -12.035 -11.330 3.484 123 HB3 SER 21 HB3 SER 21 -13.518 -10.608 2.849 124 HG SER 21 HG SER 21 -12.589 -10.942 0.735 125 H GLY 22 H GLY 22 -12.462 -7.083 3.030 126 HA2 GLY 22 HA2 GLY 22 -13.120 -6.207 5.178 127 HA3 GLY 22 HA3 GLY 22 -12.021 -7.355 5.928 128 H THR 23 H THR 23 -10.361 -6.282 3.366 129 HA THR 23 HA THR 23 -9.250 -4.072 4.922 130 HB THR 23 HB THR 23 -7.021 -4.666 3.879 131 HG1 THR 23 HG1 THR 23 -8.590 -6.481 2.602 132 HG21 THR 23 HG21 THR 23 -7.547 -5.305 6.168 133 HG22 THR 23 HG22 THR 23 -6.599 -6.558 5.363 134 HG23 THR 23 HG23 THR 23 -8.335 -6.769 5.583 135 H THR 24 H THR 24 -8.466 -2.269 3.794 136 HA THR 24 HA THR 24 -9.241 -2.111 0.971 137 HB THR 24 HB THR 24 -9.906 0.315 1.435 138 HG1 THR 24 HG1 THR 24 -9.175 -0.258 3.928 139 HG21 THR 24 HG21 THR 24 -11.622 -1.898 2.560 140 HG22 THR 24 HG22 THR 24 -11.555 -1.384 0.874 141 HG23 THR 24 HG23 THR 24 -12.199 -0.295 2.104 142 H CYS 25 H CYS 25 -7.920 -0.912 -0.329 143 HA CYS 25 HA CYS 25 -5.283 -0.483 0.676 144 HB2 CYS 25 HB2 CYS 25 -5.708 -1.339 -1.616 145 HB3 CYS 25 HB3 CYS 25 -6.445 0.212 -2.015 146 H GLN 26 H GLN 26 -4.994 1.209 2.007 147 HA GLN 26 HA GLN 26 -6.273 3.662 1.219 148 HB2 GLN 26 HB2 GLN 26 -5.373 2.671 3.891 149 HB3 GLN 26 HB3 GLN 26 -5.637 4.390 3.612 150 HG2 GLN 26 HG2 GLN 26 -7.937 3.852 2.847 151 HG3 GLN 26 HG3 GLN 26 -7.652 2.170 3.296 152 HE21 GLN 26 HE21 GLN 26 -7.802 1.596 5.440 153 HE22 GLN 26 HE22 GLN 26 -8.224 2.717 6.680 154 H VAL 27 H VAL 27 -5.284 5.248 0.509 155 HA VAL 27 HA VAL 27 -2.479 5.132 -0.022 156 HB VAL 27 HB VAL 27 -4.556 7.273 -0.610 157 HG11 VAL 27 HG11 VAL 27 -1.779 6.942 -1.740 158 HG12 VAL 27 HG12 VAL 27 -2.295 8.195 -0.614 159 HG13 VAL 27 HG13 VAL 27 -2.966 8.146 -2.246 160 HG21 VAL 27 HG21 VAL 27 -4.571 6.372 -2.873 161 HG22 VAL 27 HG22 VAL 27 -5.038 5.135 -1.705 162 HG23 VAL 27 HG23 VAL 27 -3.414 5.133 -2.397 163 H LEU 28 H LEU 28 -1.108 5.699 1.506 164 HA LEU 28 HA LEU 28 -1.899 7.636 3.549 165 HB2 LEU 28 HB2 LEU 28 0.598 5.961 3.291 166 HB3 LEU 28 HB3 LEU 28 0.192 6.969 4.665 167 HG LEU 28 HG LEU 28 -1.318 4.503 3.779 168 HD11 LEU 28 HD11 LEU 28 0.817 3.988 4.710 169 HD12 LEU 28 HD12 LEU 28 -0.455 3.543 5.853 170 HD13 LEU 28 HD13 LEU 28 0.507 5.001 6.118 171 HD21 LEU 28 HD21 LEU 28 -1.668 6.288 6.160 172 HD22 LEU 28 HD22 LEU 28 -2.490 4.747 5.900 173 HD23 LEU 28 HD23 LEU 28 -2.812 6.110 4.816 174 H ASN 29 H ASN 29 0.379 7.046 1.001 175 HA ASN 29 HA ASN 29 1.007 9.859 0.772 176 HB2 ASN 29 HB2 ASN 29 3.033 7.585 0.870 177 HB3 ASN 29 HB3 ASN 29 3.404 9.240 0.416 178 HD21 ASN 29 HD21 ASN 29 2.787 7.058 2.985 179 HD22 ASN 29 HD22 ASN 29 3.184 8.108 4.278 180 HA PRO 30 HA PRO 30 0.307 8.711 -3.416 181 HB2 PRO 30 HB2 PRO 30 2.685 9.518 -4.717 182 HB3 PRO 30 HB3 PRO 30 1.148 10.366 -4.670 183 HG2 PRO 30 HG2 PRO 30 3.558 11.100 -3.376 184 HG3 PRO 30 HG3 PRO 30 1.976 11.879 -3.220 185 HD2 PRO 30 HD2 PRO 30 3.397 10.195 -1.350 186 HD3 PRO 30 HD3 PRO 30 1.924 11.142 -1.087 187 H TYR 31 H TYR 31 3.583 7.815 -2.422 188 HA TYR 31 HA TYR 31 3.479 5.687 -4.409 189 HB2 TYR 31 HB2 TYR 31 5.865 6.484 -2.709 190 HB3 TYR 31 HB3 TYR 31 5.857 5.458 -4.137 191 HD1 TYR 31 HD1 TYR 31 5.591 8.913 -2.932 192 HD2 TYR 31 HD2 TYR 31 5.772 6.418 -6.363 193 HE1 TYR 31 HE1 TYR 31 5.953 10.882 -4.325 194 HE2 TYR 31 HE2 TYR 31 6.149 8.397 -7.777 195 HH TYR 31 HH TYR 31 6.885 11.461 -6.454 196 H TYR 32 H TYR 32 3.400 6.266 -0.986 197 HA TYR 32 HA TYR 32 3.406 3.368 -0.545 198 HB2 TYR 32 HB2 TYR 32 4.955 4.720 0.861 199 HB3 TYR 32 HB3 TYR 32 3.555 5.545 1.541 200 HD1 TYR 32 HD1 TYR 32 2.505 4.662 3.473 201 HD2 TYR 32 HD2 TYR 32 4.992 2.140 1.096 202 HE1 TYR 32 HE1 TYR 32 2.321 2.880 5.153 203 HE2 TYR 32 HE2 TYR 32 4.792 0.364 2.776 204 HH TYR 32 HH TYR 32 2.551 0.510 5.371 205 H SER 33 H SER 33 1.515 2.458 -0.624 206 HA SER 33 HA SER 33 -0.700 3.732 0.790 207 HB2 SER 33 HB2 SER 33 -0.954 1.980 -1.714 208 HB3 SER 33 HB3 SER 33 -2.247 2.809 -0.852 209 HG SER 33 HG SER 33 -1.288 3.824 -2.822 210 H GLN 34 H GLN 34 -1.672 2.363 2.253 211 HA GLN 34 HA GLN 34 -0.450 -0.304 2.466 212 HB2 GLN 34 HB2 GLN 34 0.415 1.384 4.105 213 HB3 GLN 34 HB3 GLN 34 -1.216 1.553 4.720 214 HG2 GLN 34 HG2 GLN 34 -1.211 -0.755 5.443 215 HG3 GLN 34 HG3 GLN 34 0.397 -0.984 4.757 216 HE21 GLN 34 HE21 GLN 34 1.397 -1.486 6.682 217 HE22 GLN 34 HE22 GLN 34 1.607 -0.351 7.951 218 H CYS 35 H CYS 35 -1.864 -1.951 2.953 219 HA CYS 35 HA CYS 35 -4.625 -1.248 2.560 220 HB2 CYS 35 HB2 CYS 35 -3.535 -3.317 1.500 221 HB3 CYS 35 HB3 CYS 35 -3.644 -4.043 3.097 222 H LEU 36 H LEU 36 -5.901 -0.745 4.057 223 HA LEU 36 HA LEU 36 -5.720 -1.937 6.706 224 HB2 LEU 36 HB2 LEU 36 -6.191 0.986 6.061 225 HB3 LEU 36 HB3 LEU 36 -6.237 0.268 7.655 226 HG LEU 36 HG LEU 36 -3.760 0.467 5.934 227 HD11 LEU 36 HD11 LEU 36 -4.633 2.134 8.287 228 HD12 LEU 36 HD12 LEU 36 -4.543 2.661 6.606 229 HD13 LEU 36 HD13 LEU 36 -3.070 2.230 7.474 230 HD21 LEU 36 HD21 LEU 36 -3.690 -1.395 7.505 231 HD22 LEU 36 HD22 LEU 36 -4.135 -0.317 8.825 232 HD23 LEU 36 HD23 LEU 36 -2.585 -0.116 8.008 233 H1 MAN 101 H1 MAN 101 1.342 -9.468 4.058 234 H2 MAN 101 H2 MAN 101 2.570 -7.420 3.249 235 H3 MAN 101 H3 MAN 101 1.696 -7.385 0.923 236 H4 MAN 101 H4 MAN 101 3.370 -9.898 0.666 237 H5 MAN 101 H5 MAN 101 0.328 -9.458 0.495 238 H61 MAN 101 H61 MAN 101 0.212 -11.925 0.382 239 H62 MAN 101 H62 MAN 101 1.988 -12.032 0.295 240 HO2 MAN 101 HO2 MAN 101 3.639 -9.321 3.883 241 HO3 MAN 101 HO3 MAN 101 4.473 -7.928 1.203 242 HO4 MAN 101 HO4 MAN 101 3.337 -8.434 -1.109 243 HO6 MAN 101 HO6 MAN 101 1.620 -10.467 -1.562 Start of MODEL 6 1 H1 THR 1 H1 THR 1 -3.816 -11.756 -3.975 2 H2 THR 1 H2 THR 1 -3.035 -11.807 -2.489 3 H3 THR 1 H3 THR 1 -2.306 -10.975 -3.765 4 HA THR 1 HA THR 1 -4.290 -9.474 -3.656 5 HB THR 1 HB THR 1 -5.322 -9.700 -1.270 6 HG1 THR 1 HG1 THR 1 -5.437 -12.008 -0.716 7 HG21 THR 1 HG21 THR 1 -7.119 -11.141 -2.137 8 HG22 THR 1 HG22 THR 1 -6.074 -11.665 -3.453 9 HG23 THR 1 HG23 THR 1 -6.604 -9.987 -3.366 10 H ALA 2 H ALA 2 -4.190 -7.647 -2.179 11 HA ALA 2 HA ALA 2 -1.548 -7.233 -1.166 12 HB1 ALA 2 HB1 ALA 2 -2.709 -5.430 -2.308 13 HB2 ALA 2 HB2 ALA 2 -2.367 -4.972 -0.638 14 HB3 ALA 2 HB3 ALA 2 -4.002 -5.456 -1.106 15 H SER 3 H SER 3 -1.072 -6.815 1.014 16 HA SER 3 HA SER 3 -2.758 -8.435 2.716 17 HB2 SER 3 HB2 SER 3 -0.629 -8.719 3.970 18 HB3 SER 3 HB3 SER 3 -0.599 -9.326 2.310 19 H HIS 4 H HIS 4 -2.956 -7.842 4.920 20 HA HIS 4 HA HIS 4 -3.656 -5.120 5.317 21 HB2 HIS 4 HB2 HIS 4 -4.632 -7.235 6.488 22 HB3 HIS 4 HB3 HIS 4 -3.200 -7.167 7.492 23 HD1 HIS 4 HD1 HIS 4 -5.499 -6.944 9.189 24 HD2 HIS 4 HD2 HIS 4 -4.186 -3.600 7.115 25 HE1 HIS 4 HE1 HIS 4 -6.489 -4.993 10.381 26 HE2 HIS 4 HE2 HIS 4 -6.005 -3.071 8.871 27 H TYR 5 H TYR 5 -2.355 -3.538 5.856 28 HA TYR 5 HA TYR 5 -0.744 -2.311 6.789 29 HB2 TYR 5 HB2 TYR 5 0.339 -4.865 8.009 30 HB3 TYR 5 HB3 TYR 5 1.054 -3.283 8.260 31 HD1 TYR 5 HD1 TYR 5 -0.355 -1.509 9.392 32 HD2 TYR 5 HD2 TYR 5 -1.448 -5.620 9.331 33 HE1 TYR 5 HE1 TYR 5 -1.812 -1.145 11.324 34 HE2 TYR 5 HE2 TYR 5 -2.918 -5.261 11.267 35 HH TYR 5 HH TYR 5 -2.933 -3.565 13.201 36 H GLY 6 H GLY 6 -0.479 -4.439 4.424 37 HA2 GLY 6 HA2 GLY 6 2.322 -3.879 3.838 38 HA3 GLY 6 HA3 GLY 6 1.259 -4.993 2.973 39 H GLN 7 H GLN 7 2.667 -3.359 1.433 40 HA GLN 7 HA GLN 7 1.206 -0.937 0.931 41 HB2 GLN 7 HB2 GLN 7 3.663 -1.106 0.582 42 HB3 GLN 7 HB3 GLN 7 3.392 -2.290 -0.678 43 HG2 GLN 7 HG2 GLN 7 2.252 -0.596 -2.023 44 HG3 GLN 7 HG3 GLN 7 2.494 0.595 -0.747 45 HE21 GLN 7 HE21 GLN 7 3.837 1.979 -2.059 46 HE22 GLN 7 HE22 GLN 7 5.396 1.464 -2.496 47 H CYS 8 H CYS 8 -0.411 -0.744 -0.458 48 HA CYS 8 HA CYS 8 -1.209 -3.199 -1.876 49 HB2 CYS 8 HB2 CYS 8 -3.490 -2.325 -1.708 50 HB3 CYS 8 HB3 CYS 8 -2.718 -2.654 -0.152 51 H GLY 9 H GLY 9 -0.591 0.213 -2.375 52 HA2 GLY 9 HA2 GLY 9 -0.689 -0.109 -5.203 53 HA3 GLY 9 HA3 GLY 9 -2.193 0.576 -4.602 54 H GLY 10 H GLY 10 1.267 1.045 -4.206 55 HA2 GLY 10 HA2 GLY 10 0.744 3.940 -4.246 56 HA3 GLY 10 HA3 GLY 10 2.184 3.188 -3.550 57 H ILE 11 H ILE 11 2.402 5.209 -5.426 58 HA ILE 11 HA ILE 11 2.727 4.327 -8.063 59 HB ILE 11 HB ILE 11 4.368 6.455 -6.640 60 HG12 ILE 11 HG12 ILE 11 1.835 6.755 -8.279 61 HG13 ILE 11 HG13 ILE 11 1.912 6.846 -6.523 62 HG21 ILE 11 HG21 ILE 11 3.836 6.009 -9.580 63 HG22 ILE 11 HG22 ILE 11 5.353 5.701 -8.743 64 HG23 ILE 11 HG23 ILE 11 4.755 7.357 -8.896 65 HD11 ILE 11 HD11 ILE 11 3.244 8.723 -8.468 66 HD12 ILE 11 HD12 ILE 11 3.371 8.812 -6.713 67 HD13 ILE 11 HD13 ILE 11 1.812 9.067 -7.493 68 H GLY 12 H GLY 12 4.016 2.809 -8.820 69 HA2 GLY 12 HA2 GLY 12 6.165 1.951 -9.286 70 HA3 GLY 12 HA3 GLY 12 6.719 2.553 -7.734 71 H TYR 13 H TYR 13 3.847 1.230 -7.045 72 HA TYR 13 HA TYR 13 5.093 -1.288 -6.315 73 HB2 TYR 13 HB2 TYR 13 3.905 -0.182 -4.509 74 HB3 TYR 13 HB3 TYR 13 2.444 -0.075 -5.481 75 HD1 TYR 13 HD1 TYR 13 0.809 -1.680 -5.212 76 HD2 TYR 13 HD2 TYR 13 4.781 -2.634 -4.041 77 HE1 TYR 13 HE1 TYR 13 0.023 -3.811 -4.298 78 HE2 TYR 13 HE2 TYR 13 3.997 -4.780 -3.113 79 HH TYR 13 HH TYR 13 0.701 -5.844 -3.647 80 H SER 14 H SER 14 5.039 -2.764 -7.757 81 HA SER 14 HA SER 14 2.796 -2.932 -9.597 82 HB2 SER 14 HB2 SER 14 4.645 -4.409 -10.785 83 HB3 SER 14 HB3 SER 14 4.654 -2.650 -10.914 84 HG SER 14 HG SER 14 6.364 -2.555 -9.787 85 H GLY 15 H GLY 15 2.914 -4.007 -6.855 86 HA2 GLY 15 HA2 GLY 15 2.750 -6.887 -7.372 87 HA3 GLY 15 HA3 GLY 15 2.685 -6.130 -5.779 88 HA PRO 16 HA PRO 16 -1.649 -7.448 -6.916 89 HB2 PRO 16 HB2 PRO 16 -2.076 -8.214 -4.297 90 HB3 PRO 16 HB3 PRO 16 -1.500 -9.311 -5.559 91 HG2 PRO 16 HG2 PRO 16 0.115 -7.682 -3.611 92 HG3 PRO 16 HG3 PRO 16 0.251 -9.437 -3.940 93 HD2 PRO 16 HD2 PRO 16 1.935 -7.804 -5.003 94 HD3 PRO 16 HD3 PRO 16 1.158 -8.982 -6.079 95 H THR 17 H THR 17 -3.117 -5.860 -6.830 96 HA THR 17 HA THR 17 -2.806 -3.704 -4.872 97 HB THR 17 HB THR 17 -4.377 -2.558 -6.584 98 HG1 THR 17 HG1 THR 17 -4.873 -3.753 -8.246 99 HG21 THR 17 HG21 THR 17 -1.999 -1.962 -6.311 100 HG22 THR 17 HG22 THR 17 -2.455 -1.937 -8.014 101 HG23 THR 17 HG23 THR 17 -1.537 -3.295 -7.367 102 H VAL 18 H VAL 18 -4.901 -6.266 -5.795 103 HA VAL 18 HA VAL 18 -7.265 -5.159 -4.551 104 HB VAL 18 HB VAL 18 -6.696 -7.996 -5.496 105 HG11 VAL 18 HG11 VAL 18 -9.126 -8.289 -5.484 106 HG12 VAL 18 HG12 VAL 18 -9.312 -6.667 -4.827 107 HG13 VAL 18 HG13 VAL 18 -8.512 -7.917 -3.871 108 HG21 VAL 18 HG21 VAL 18 -6.577 -6.387 -7.330 109 HG22 VAL 18 HG22 VAL 18 -8.170 -5.770 -6.886 110 HG23 VAL 18 HG23 VAL 18 -7.997 -7.425 -7.468 111 H CYS 19 H CYS 19 -7.588 -5.237 -2.433 112 HA CYS 19 HA CYS 19 -5.730 -6.554 -0.703 113 HB2 CYS 19 HB2 CYS 19 -8.154 -4.868 -0.205 114 HB3 CYS 19 HB3 CYS 19 -7.288 -5.688 1.093 115 H ALA 20 H ALA 20 -6.657 -7.660 1.315 116 HA ALA 20 HA ALA 20 -8.094 -9.990 0.454 117 HB1 ALA 20 HB1 ALA 20 -6.100 -10.199 1.879 118 HB2 ALA 20 HB2 ALA 20 -7.528 -10.834 2.700 119 HB3 ALA 20 HB3 ALA 20 -6.892 -9.247 3.128 120 H SER 21 H SER 21 -9.884 -10.806 1.907 121 HA SER 21 HA SER 21 -12.049 -9.085 1.982 122 HB2 SER 21 HB2 SER 21 -11.682 -11.542 3.684 123 HB3 SER 21 HB3 SER 21 -13.194 -10.881 3.053 124 HG SER 21 HG SER 21 -11.634 -12.667 1.978 125 H GLY 22 H GLY 22 -12.321 -7.365 3.258 126 HA2 GLY 22 HA2 GLY 22 -12.966 -6.614 5.436 127 HA3 GLY 22 HA3 GLY 22 -11.716 -7.644 6.118 128 H THR 23 H THR 23 -10.102 -6.532 3.661 129 HA THR 23 HA THR 23 -9.210 -4.175 5.161 130 HB THR 23 HB THR 23 -6.926 -4.630 4.134 131 HG1 THR 23 HG1 THR 23 -8.366 -6.570 2.877 132 HG21 THR 23 HG21 THR 23 -8.115 -6.787 5.878 133 HG22 THR 23 HG22 THR 23 -7.449 -5.254 6.441 134 HG23 THR 23 HG23 THR 23 -6.395 -6.451 5.684 135 H THR 24 H THR 24 -8.491 -2.308 4.001 136 HA THR 24 HA THR 24 -9.390 -2.227 1.214 137 HB THR 24 HB THR 24 -10.124 0.150 1.667 138 HG1 THR 24 HG1 THR 24 -9.341 -0.598 4.233 139 HG21 THR 24 HG21 THR 24 -11.587 -2.014 3.185 140 HG22 THR 24 HG22 THR 24 -11.786 -1.634 1.473 141 HG23 THR 24 HG23 THR 24 -12.277 -0.468 2.700 142 H CYS 25 H CYS 25 -8.078 -1.082 -0.151 143 HA CYS 25 HA CYS 25 -5.420 -0.535 0.746 144 HB2 CYS 25 HB2 CYS 25 -5.917 -1.420 -1.529 145 HB3 CYS 25 HB3 CYS 25 -6.732 0.100 -1.900 146 H GLN 26 H GLN 26 -4.987 1.261 1.916 147 HA GLN 26 HA GLN 26 -6.483 3.623 1.204 148 HB2 GLN 26 HB2 GLN 26 -5.222 2.792 3.799 149 HB3 GLN 26 HB3 GLN 26 -6.005 4.348 3.524 150 HG2 GLN 26 HG2 GLN 26 -8.107 3.118 2.997 151 HG3 GLN 26 HG3 GLN 26 -7.283 1.619 3.404 152 HE21 GLN 26 HE21 GLN 26 -8.724 1.154 5.030 153 HE22 GLN 26 HE22 GLN 26 -8.727 1.995 6.535 154 H VAL 27 H VAL 27 -5.409 5.120 0.250 155 HA VAL 27 HA VAL 27 -2.568 4.941 -0.113 156 HB VAL 27 HB VAL 27 -4.553 7.033 -1.072 157 HG11 VAL 27 HG11 VAL 27 -2.302 7.921 -1.043 158 HG12 VAL 27 HG12 VAL 27 -2.814 7.637 -2.711 159 HG13 VAL 27 HG13 VAL 27 -1.711 6.511 -1.912 160 HG21 VAL 27 HG21 VAL 27 -5.053 4.816 -1.967 161 HG22 VAL 27 HG22 VAL 27 -3.384 4.654 -2.516 162 HG23 VAL 27 HG23 VAL 27 -4.431 5.877 -3.230 163 H LEU 28 H LEU 28 -1.295 5.624 1.412 164 HA LEU 28 HA LEU 28 -2.174 7.663 3.297 165 HB2 LEU 28 HB2 LEU 28 0.408 6.085 3.221 166 HB3 LEU 28 HB3 LEU 28 -0.143 7.091 4.541 167 HG LEU 28 HG LEU 28 -1.417 4.501 3.642 168 HD11 LEU 28 HD11 LEU 28 0.177 5.215 6.089 169 HD12 LEU 28 HD12 LEU 28 0.677 4.161 4.760 170 HD13 LEU 28 HD13 LEU 28 -0.649 3.680 5.820 171 HD21 LEU 28 HD21 LEU 28 -3.096 6.022 4.519 172 HD22 LEU 28 HD22 LEU 28 -2.064 6.310 5.934 173 HD23 LEU 28 HD23 LEU 28 -2.756 4.710 5.664 174 H ASN 29 H ASN 29 0.479 6.964 1.142 175 HA ASN 29 HA ASN 29 0.957 9.823 0.714 176 HB2 ASN 29 HB2 ASN 29 2.987 7.543 0.862 177 HB3 ASN 29 HB3 ASN 29 3.336 9.162 0.273 178 HD21 ASN 29 HD21 ASN 29 4.500 7.641 2.495 179 HD22 ASN 29 HD22 ASN 29 4.306 8.631 3.881 180 HA PRO 30 HA PRO 30 0.306 8.552 -3.488 181 HB2 PRO 30 HB2 PRO 30 2.681 9.501 -4.708 182 HB3 PRO 30 HB3 PRO 30 1.086 10.232 -4.760 183 HG2 PRO 30 HG2 PRO 30 3.354 11.186 -3.394 184 HG3 PRO 30 HG3 PRO 30 1.705 11.825 -3.270 185 HD2 PRO 30 HD2 PRO 30 3.251 10.240 -1.396 186 HD3 PRO 30 HD3 PRO 30 1.739 11.092 -1.099 187 H TYR 31 H TYR 31 3.595 7.992 -2.339 188 HA TYR 31 HA TYR 31 3.743 5.725 -4.139 189 HB2 TYR 31 HB2 TYR 31 5.798 7.002 -2.339 190 HB3 TYR 31 HB3 TYR 31 6.086 5.468 -3.149 191 HD1 TYR 31 HD1 TYR 31 4.756 8.849 -4.121 192 HD2 TYR 31 HD2 TYR 31 7.381 5.636 -5.035 193 HE1 TYR 31 HE1 TYR 31 5.513 10.046 -6.119 194 HE2 TYR 31 HE2 TYR 31 8.151 6.827 -7.038 195 HH TYR 31 HH TYR 31 7.376 8.520 -8.542 196 H TYR 32 H TYR 32 3.231 6.406 -0.740 197 HA TYR 32 HA TYR 32 3.333 3.526 -0.306 198 HB2 TYR 32 HB2 TYR 32 4.790 4.829 1.204 199 HB3 TYR 32 HB3 TYR 32 3.368 5.648 1.844 200 HD1 TYR 32 HD1 TYR 32 4.599 2.165 1.260 201 HD2 TYR 32 HD2 TYR 32 2.455 4.812 3.815 202 HE1 TYR 32 HE1 TYR 32 4.323 0.348 2.897 203 HE2 TYR 32 HE2 TYR 32 2.170 3.011 5.453 204 HH TYR 32 HH TYR 32 2.244 0.689 5.652 205 H SER 33 H SER 33 1.514 2.542 -0.452 206 HA SER 33 HA SER 33 -0.832 3.770 0.792 207 HB2 SER 33 HB2 SER 33 -0.854 1.967 -1.666 208 HB3 SER 33 HB3 SER 33 -2.227 2.799 -0.936 209 HG SER 33 HG SER 33 -1.147 3.798 -2.845 210 H GLN 34 H GLN 34 -1.741 2.458 2.287 211 HA GLN 34 HA GLN 34 -0.564 -0.209 2.536 212 HB2 GLN 34 HB2 GLN 34 0.401 1.150 4.242 213 HB3 GLN 34 HB3 GLN 34 -1.144 1.881 4.624 214 HG2 GLN 34 HG2 GLN 34 -1.921 -0.168 5.613 215 HG3 GLN 34 HG3 GLN 34 -0.455 -1.003 5.096 216 HE21 GLN 34 HE21 GLN 34 1.382 -0.826 6.312 217 HE22 GLN 34 HE22 GLN 34 1.415 0.048 7.806 218 H CYS 35 H CYS 35 -1.940 -1.845 2.934 219 HA CYS 35 HA CYS 35 -4.736 -1.199 2.627 220 HB2 CYS 35 HB2 CYS 35 -3.627 -3.213 1.489 221 HB3 CYS 35 HB3 CYS 35 -3.619 -3.954 3.080 222 H LEU 36 H LEU 36 -6.058 -0.911 4.199 223 HA LEU 36 HA LEU 36 -5.451 -1.970 6.841 224 HB2 LEU 36 HB2 LEU 36 -6.597 0.729 6.118 225 HB3 LEU 36 HB3 LEU 36 -6.497 0.091 7.744 226 HG LEU 36 HG LEU 36 -4.127 0.709 5.980 227 HD11 LEU 36 HD11 LEU 36 -3.745 2.575 7.528 228 HD12 LEU 36 HD12 LEU 36 -5.271 2.204 8.336 229 HD13 LEU 36 HD13 LEU 36 -5.268 2.738 6.655 230 HD21 LEU 36 HD21 LEU 36 -2.829 0.377 8.038 231 HD22 LEU 36 HD22 LEU 36 -3.664 -1.093 7.549 232 HD23 LEU 36 HD23 LEU 36 -4.299 -0.116 8.876 233 H1 MAN 101 H1 MAN 101 1.722 -9.103 3.190 234 H2 MAN 101 H2 MAN 101 2.684 -6.481 2.930 235 H3 MAN 101 H3 MAN 101 4.330 -6.465 1.279 236 H4 MAN 101 H4 MAN 101 3.127 -6.800 -0.843 237 H5 MAN 101 H5 MAN 101 0.537 -7.621 -0.030 238 H61 MAN 101 H61 MAN 101 1.624 -8.213 -2.147 239 H62 MAN 101 H62 MAN 101 0.915 -9.644 -1.353 240 HO2 MAN 101 HO2 MAN 101 4.656 -7.616 3.416 241 HO3 MAN 101 HO3 MAN 101 4.889 -8.688 1.591 242 HO4 MAN 101 HO4 MAN 101 1.426 -5.390 -0.285 243 HO6 MAN 101 HO6 MAN 101 3.408 -9.397 -0.448 Start of MODEL 7 1 H1 THR 1 H1 THR 1 -2.287 -11.879 -1.563 2 H2 THR 1 H2 THR 1 -1.456 -11.243 -2.888 3 H3 THR 1 H3 THR 1 -2.876 -12.141 -3.121 4 HA THR 1 HA THR 1 -3.283 -9.813 -3.367 5 HB THR 1 HB THR 1 -5.051 -9.646 -1.499 6 HG1 THR 1 HG1 THR 1 -5.420 -11.643 -0.391 7 HG21 THR 1 HG21 THR 1 -5.582 -10.512 -3.737 8 HG22 THR 1 HG22 THR 1 -6.474 -11.372 -2.485 9 HG23 THR 1 HG23 THR 1 -5.063 -12.124 -3.233 10 H ALA 2 H ALA 2 -3.807 -7.851 -1.934 11 HA ALA 2 HA ALA 2 -1.399 -7.157 -0.534 12 HB1 ALA 2 HB1 ALA 2 -3.910 -5.560 -1.100 13 HB2 ALA 2 HB2 ALA 2 -2.423 -5.534 -2.045 14 HB3 ALA 2 HB3 ALA 2 -2.426 -4.924 -0.390 15 H SER 3 H SER 3 -1.197 -7.736 1.425 16 HA SER 3 HA SER 3 -3.357 -8.603 3.048 17 HB2 SER 3 HB2 SER 3 -1.403 -8.925 4.662 18 HB3 SER 3 HB3 SER 3 -1.412 -9.894 3.191 19 H HIS 4 H HIS 4 -3.552 -7.909 5.278 20 HA HIS 4 HA HIS 4 -4.019 -5.137 5.533 21 HB2 HIS 4 HB2 HIS 4 -5.102 -7.132 6.786 22 HB3 HIS 4 HB3 HIS 4 -3.684 -7.086 7.818 23 HD1 HIS 4 HD1 HIS 4 -6.087 -6.709 9.332 24 HD2 HIS 4 HD2 HIS 4 -4.389 -3.493 7.354 25 HE1 HIS 4 HE1 HIS 4 -7.037 -4.660 10.449 26 HE2 HIS 4 HE2 HIS 4 -5.933 -2.730 9.319 27 H TYR 5 H TYR 5 -2.583 -3.626 5.910 28 HA TYR 5 HA TYR 5 -0.875 -2.458 6.706 29 HB2 TYR 5 HB2 TYR 5 -0.023 -4.966 8.174 30 HB3 TYR 5 HB3 TYR 5 0.926 -3.486 8.199 31 HD1 TYR 5 HD1 TYR 5 -2.046 -5.171 9.457 32 HD2 TYR 5 HD2 TYR 5 0.058 -1.482 9.319 33 HE1 TYR 5 HE1 TYR 5 -3.392 -4.338 11.331 34 HE2 TYR 5 HE2 TYR 5 -1.284 -0.641 11.199 35 HH TYR 5 HH TYR 5 -3.249 -2.684 13.064 36 H GLY 6 H GLY 6 -0.902 -4.603 4.441 37 HA2 GLY 6 HA2 GLY 6 1.906 -4.312 3.709 38 HA3 GLY 6 HA3 GLY 6 0.716 -5.337 2.911 39 H GLN 7 H GLN 7 2.359 -3.533 1.524 40 HA GLN 7 HA GLN 7 0.938 -1.122 0.976 41 HB2 GLN 7 HB2 GLN 7 3.389 -1.372 0.618 42 HB3 GLN 7 HB3 GLN 7 3.073 -2.531 -0.659 43 HG2 GLN 7 HG2 GLN 7 1.965 -0.744 -1.960 44 HG3 GLN 7 HG3 GLN 7 2.347 0.396 -0.666 45 HE21 GLN 7 HE21 GLN 7 3.691 1.691 -2.122 46 HE22 GLN 7 HE22 GLN 7 5.208 1.073 -2.582 47 H CYS 8 H CYS 8 -0.544 -0.736 -0.624 48 HA CYS 8 HA CYS 8 -1.513 -3.148 -2.054 49 HB2 CYS 8 HB2 CYS 8 -3.754 -2.259 -1.733 50 HB3 CYS 8 HB3 CYS 8 -2.922 -2.667 -0.224 51 H GLY 9 H GLY 9 -0.350 -0.010 -2.657 52 HA2 GLY 9 HA2 GLY 9 -0.791 -0.051 -5.383 53 HA3 GLY 9 HA3 GLY 9 -2.274 0.564 -4.687 54 H GLY 10 H GLY 10 1.187 1.128 -4.544 55 HA2 GLY 10 HA2 GLY 10 0.592 4.004 -4.311 56 HA3 GLY 10 HA3 GLY 10 2.109 3.242 -3.845 57 H ILE 11 H ILE 11 2.155 5.386 -5.561 58 HA ILE 11 HA ILE 11 2.151 4.671 -8.292 59 HB ILE 11 HB ILE 11 3.805 6.814 -6.918 60 HG12 ILE 11 HG12 ILE 11 1.149 7.048 -8.362 61 HG13 ILE 11 HG13 ILE 11 1.351 7.075 -6.615 62 HG21 ILE 11 HG21 ILE 11 3.121 6.464 -9.846 63 HG22 ILE 11 HG22 ILE 11 4.711 6.263 -9.115 64 HG23 ILE 11 HG23 ILE 11 3.955 7.860 -9.153 65 HD11 ILE 11 HD11 ILE 11 1.071 9.327 -7.497 66 HD12 ILE 11 HD12 ILE 11 2.453 9.093 -8.563 67 HD13 ILE 11 HD13 ILE 11 2.686 9.124 -6.818 68 H GLY 12 H GLY 12 3.420 3.302 -9.327 69 HA2 GLY 12 HA2 GLY 12 5.463 2.452 -10.093 70 HA3 GLY 12 HA3 GLY 12 6.261 3.186 -8.711 71 H TYR 13 H TYR 13 3.472 1.488 -7.904 72 HA TYR 13 HA TYR 13 5.091 -0.734 -6.928 73 HB2 TYR 13 HB2 TYR 13 3.917 0.390 -5.175 74 HB3 TYR 13 HB3 TYR 13 2.402 0.330 -6.048 75 HD1 TYR 13 HD1 TYR 13 4.985 -2.141 -4.916 76 HD2 TYR 13 HD2 TYR 13 0.886 -1.105 -5.150 77 HE1 TYR 13 HE1 TYR 13 4.399 -4.183 -3.669 78 HE2 TYR 13 HE2 TYR 13 0.291 -3.135 -3.916 79 HH TYR 13 HH TYR 13 1.103 -5.183 -3.321 80 H SER 14 H SER 14 5.103 -2.470 -8.120 81 HA SER 14 HA SER 14 2.943 -2.991 -9.989 82 HB2 SER 14 HB2 SER 14 4.718 -4.531 -10.959 83 HB3 SER 14 HB3 SER 14 5.055 -2.801 -11.025 84 HG SER 14 HG SER 14 6.855 -3.753 -10.280 85 H GLY 15 H GLY 15 3.419 -3.811 -6.955 86 HA2 GLY 15 HA2 GLY 15 3.249 -6.712 -7.132 87 HA3 GLY 15 HA3 GLY 15 3.225 -5.773 -5.647 88 HA PRO 16 HA PRO 16 -1.049 -7.519 -6.247 89 HB2 PRO 16 HB2 PRO 16 -1.276 -7.796 -3.497 90 HB3 PRO 16 HB3 PRO 16 -0.730 -9.077 -4.589 91 HG2 PRO 16 HG2 PRO 16 0.932 -7.086 -3.050 92 HG3 PRO 16 HG3 PRO 16 1.147 -8.862 -3.144 93 HD2 PRO 16 HD2 PRO 16 2.641 -7.288 -4.542 94 HD3 PRO 16 HD3 PRO 16 1.901 -8.683 -5.356 95 H THR 17 H THR 17 -2.443 -5.897 -6.585 96 HA THR 17 HA THR 17 -2.508 -3.633 -4.719 97 HB THR 17 HB THR 17 -3.817 -2.536 -6.606 98 HG1 THR 17 HG1 THR 17 -3.211 -3.603 -8.701 99 HG21 THR 17 HG21 THR 17 -0.977 -3.408 -7.200 100 HG22 THR 17 HG22 THR 17 -1.445 -2.025 -6.214 101 HG23 THR 17 HG23 THR 17 -1.801 -2.034 -7.940 102 H VAL 18 H VAL 18 -4.037 -6.458 -5.313 103 HA VAL 18 HA VAL 18 -6.718 -5.484 -4.707 104 HB VAL 18 HB VAL 18 -5.735 -8.247 -5.484 105 HG11 VAL 18 HG11 VAL 18 -8.088 -8.786 -5.818 106 HG12 VAL 18 HG12 VAL 18 -8.529 -7.192 -5.203 107 HG13 VAL 18 HG13 VAL 18 -7.739 -8.357 -4.142 108 HG21 VAL 18 HG21 VAL 18 -7.166 -6.148 -7.094 109 HG22 VAL 18 HG22 VAL 18 -6.815 -7.789 -7.633 110 HG23 VAL 18 HG23 VAL 18 -5.493 -6.665 -7.303 111 H CYS 19 H CYS 19 -7.267 -5.420 -2.628 112 HA CYS 19 HA CYS 19 -5.677 -6.732 -0.625 113 HB2 CYS 19 HB2 CYS 19 -8.121 -4.968 -0.448 114 HB3 CYS 19 HB3 CYS 19 -7.360 -5.718 0.953 115 H ALA 20 H ALA 20 -7.098 -7.652 1.313 116 HA ALA 20 HA ALA 20 -8.463 -9.981 0.227 117 HB1 ALA 20 HB1 ALA 20 -8.074 -10.921 2.464 118 HB2 ALA 20 HB2 ALA 20 -7.375 -9.388 2.984 119 HB3 ALA 20 HB3 ALA 20 -6.572 -10.348 1.741 120 H SER 21 H SER 21 -10.189 -10.752 2.049 121 HA SER 21 HA SER 21 -12.281 -8.840 1.966 122 HB2 SER 21 HB2 SER 21 -12.157 -11.421 3.551 123 HB3 SER 21 HB3 SER 21 -13.597 -10.572 2.991 124 HG SER 21 HG SER 21 -12.243 -12.442 1.744 125 H GLY 22 H GLY 22 -12.606 -7.221 3.403 126 HA2 GLY 22 HA2 GLY 22 -12.945 -6.369 5.547 127 HA3 GLY 22 HA3 GLY 22 -11.948 -7.662 6.197 128 H THR 23 H THR 23 -10.748 -6.007 3.449 129 HA THR 23 HA THR 23 -9.166 -4.198 5.064 130 HB THR 23 HB THR 23 -7.099 -4.831 3.746 131 HG1 THR 23 HG1 THR 23 -8.839 -6.657 2.731 132 HG21 THR 23 HG21 THR 23 -7.285 -5.439 6.092 133 HG22 THR 23 HG22 THR 23 -6.496 -6.736 5.194 134 HG23 THR 23 HG23 THR 23 -8.189 -6.893 5.664 135 H THR 24 H THR 24 -8.484 -2.392 3.961 136 HA THR 24 HA THR 24 -9.400 -2.155 1.200 137 HB THR 24 HB THR 24 -10.160 0.227 1.830 138 HG1 THR 24 HG1 THR 24 -9.307 -0.315 4.221 139 HG21 THR 24 HG21 THR 24 -12.411 -0.558 2.452 140 HG22 THR 24 HG22 THR 24 -11.749 -2.159 2.787 141 HG23 THR 24 HG23 THR 24 -11.721 -1.518 1.142 142 H CYS 25 H CYS 25 -8.186 -0.855 -0.111 143 HA CYS 25 HA CYS 25 -5.510 -0.397 0.744 144 HB2 CYS 25 HB2 CYS 25 -6.197 -1.088 -1.591 145 HB3 CYS 25 HB3 CYS 25 -6.837 0.549 -1.778 146 H GLN 26 H GLN 26 -4.925 1.307 1.947 147 HA GLN 26 HA GLN 26 -6.368 3.786 1.501 148 HB2 GLN 26 HB2 GLN 26 -4.885 2.771 3.898 149 HB3 GLN 26 HB3 GLN 26 -5.525 4.401 3.783 150 HG2 GLN 26 HG2 GLN 26 -7.794 3.291 3.435 151 HG3 GLN 26 HG3 GLN 26 -7.009 1.790 3.926 152 HE21 GLN 26 HE21 GLN 26 -8.177 1.542 5.810 153 HE22 GLN 26 HE22 GLN 26 -7.993 2.610 7.151 154 H VAL 27 H VAL 27 -5.247 5.377 0.605 155 HA VAL 27 HA VAL 27 -2.437 4.997 0.085 156 HB VAL 27 HB VAL 27 -4.317 7.245 -0.731 157 HG11 VAL 27 HG11 VAL 27 -1.498 6.690 -1.659 158 HG12 VAL 27 HG12 VAL 27 -2.002 8.041 -0.647 159 HG13 VAL 27 HG13 VAL 27 -2.569 7.928 -2.313 160 HG21 VAL 27 HG21 VAL 27 -4.866 5.097 -1.764 161 HG22 VAL 27 HG22 VAL 27 -3.204 4.940 -2.333 162 HG23 VAL 27 HG23 VAL 27 -4.228 6.228 -2.958 163 H LEU 28 H LEU 28 -1.077 5.458 1.638 164 HA LEU 28 HA LEU 28 -1.697 7.430 3.689 165 HB2 LEU 28 HB2 LEU 28 0.822 5.815 3.303 166 HB3 LEU 28 HB3 LEU 28 0.364 6.695 4.744 167 HG LEU 28 HG LEU 28 -0.859 4.154 3.677 168 HD11 LEU 28 HD11 LEU 28 -0.055 3.218 5.775 169 HD12 LEU 28 HD12 LEU 28 0.631 4.782 6.207 170 HD13 LEU 28 HD13 LEU 28 1.271 3.891 4.826 171 HD21 LEU 28 HD21 LEU 28 -2.251 4.158 5.657 172 HD22 LEU 28 HD22 LEU 28 -2.626 5.545 4.621 173 HD23 LEU 28 HD23 LEU 28 -1.661 5.760 6.092 174 H ASN 29 H ASN 29 0.560 6.837 1.096 175 HA ASN 29 HA ASN 29 1.233 9.645 0.910 176 HB2 ASN 29 HB2 ASN 29 3.256 7.355 1.039 177 HB3 ASN 29 HB3 ASN 29 3.647 9.011 0.586 178 HD21 ASN 29 HD21 ASN 29 2.960 6.843 3.170 179 HD22 ASN 29 HD22 ASN 29 3.294 7.904 4.470 180 HA PRO 30 HA PRO 30 0.515 8.671 -3.281 181 HB2 PRO 30 HB2 PRO 30 2.877 9.559 -4.551 182 HB3 PRO 30 HB3 PRO 30 1.335 10.390 -4.450 183 HG2 PRO 30 HG2 PRO 30 3.746 11.062 -3.135 184 HG3 PRO 30 HG3 PRO 30 2.170 11.830 -2.921 185 HD2 PRO 30 HD2 PRO 30 3.612 10.053 -1.162 186 HD3 PRO 30 HD3 PRO 30 2.138 10.969 -0.829 187 H TYR 31 H TYR 31 3.730 7.712 -2.268 188 HA TYR 31 HA TYR 31 3.664 5.680 -4.358 189 HB2 TYR 31 HB2 TYR 31 5.939 6.442 -2.510 190 HB3 TYR 31 HB3 TYR 31 6.038 5.325 -3.866 191 HD1 TYR 31 HD1 TYR 31 5.764 8.856 -2.894 192 HD2 TYR 31 HD2 TYR 31 6.082 6.148 -6.152 193 HE1 TYR 31 HE1 TYR 31 6.265 10.734 -4.391 194 HE2 TYR 31 HE2 TYR 31 6.590 8.012 -7.659 195 HH TYR 31 HH TYR 31 7.357 11.117 -6.495 196 H TYR 32 H TYR 32 3.475 6.094 -0.903 197 HA TYR 32 HA TYR 32 3.379 3.192 -0.647 198 HB2 TYR 32 HB2 TYR 32 5.023 4.416 0.792 199 HB3 TYR 32 HB3 TYR 32 3.657 5.158 1.623 200 HD1 TYR 32 HD1 TYR 32 2.381 3.913 3.207 201 HD2 TYR 32 HD2 TYR 32 5.412 2.009 0.941 202 HE1 TYR 32 HE1 TYR 32 2.224 1.955 4.684 203 HE2 TYR 32 HE2 TYR 32 5.289 0.038 2.385 204 HH TYR 32 HH TYR 32 4.605 -0.397 4.754 205 H SER 33 H SER 33 1.429 2.374 -0.725 206 HA SER 33 HA SER 33 -0.718 3.737 0.725 207 HB2 SER 33 HB2 SER 33 -0.985 1.970 -1.743 208 HB3 SER 33 HB3 SER 33 -2.281 2.849 -0.939 209 HG SER 33 HG SER 33 -1.258 3.829 -2.883 210 H GLN 34 H GLN 34 -1.808 2.360 2.160 211 HA GLN 34 HA GLN 34 -0.606 -0.312 2.387 212 HB2 GLN 34 HB2 GLN 34 0.261 1.426 4.000 213 HB3 GLN 34 HB3 GLN 34 -1.361 1.496 4.669 214 HG2 GLN 34 HG2 GLN 34 -1.229 -0.843 5.278 215 HG3 GLN 34 HG3 GLN 34 0.382 -0.949 4.574 216 HE21 GLN 34 HE21 GLN 34 1.418 -1.473 6.433 217 HE22 GLN 34 HE22 GLN 34 1.606 -0.382 7.752 218 H CYS 35 H CYS 35 -2.014 -1.921 2.849 219 HA CYS 35 HA CYS 35 -4.793 -1.249 2.541 220 HB2 CYS 35 HB2 CYS 35 -3.635 -3.302 1.472 221 HB3 CYS 35 HB3 CYS 35 -3.749 -4.009 3.066 222 H LEU 36 H LEU 36 -5.977 -0.727 4.133 223 HA LEU 36 HA LEU 36 -5.699 -2.033 6.711 224 HB2 LEU 36 HB2 LEU 36 -6.201 0.910 6.217 225 HB3 LEU 36 HB3 LEU 36 -6.114 0.122 7.776 226 HG LEU 36 HG LEU 36 -3.777 0.366 5.883 227 HD11 LEU 36 HD11 LEU 36 -4.498 2.562 6.595 228 HD12 LEU 36 HD12 LEU 36 -2.984 2.120 7.387 229 HD13 LEU 36 HD13 LEU 36 -4.506 2.032 8.276 230 HD21 LEU 36 HD21 LEU 36 -3.583 -1.488 7.450 231 HD22 LEU 36 HD22 LEU 36 -3.952 -0.414 8.797 232 HD23 LEU 36 HD23 LEU 36 -2.460 -0.199 7.880 233 H1 MAN 101 H1 MAN 101 0.930 -9.318 4.685 234 H2 MAN 101 H2 MAN 101 2.366 -7.480 3.697 235 H3 MAN 101 H3 MAN 101 1.881 -7.777 1.325 236 H4 MAN 101 H4 MAN 101 3.264 -10.453 1.683 237 H5 MAN 101 H5 MAN 101 0.320 -9.782 1.109 238 H61 MAN 101 H61 MAN 101 -0.047 -12.205 1.379 239 H62 MAN 101 H62 MAN 101 1.707 -12.491 1.469 240 HO2 MAN 101 HO2 MAN 101 3.298 -9.305 4.838 241 HO3 MAN 101 HO3 MAN 101 4.508 -8.656 2.027 242 HO4 MAN 101 HO4 MAN 101 3.577 -9.326 -0.268 243 HO6 MAN 101 HO6 MAN 101 1.580 -11.186 -0.670 Start of MODEL 8 1 H1 THR 1 H1 THR 1 -3.696 -12.031 -3.771 2 H2 THR 1 H2 THR 1 -2.746 -12.093 -2.379 3 H3 THR 1 H3 THR 1 -2.243 -11.153 -3.677 4 HA THR 1 HA THR 1 -4.199 -9.750 -3.340 5 HB THR 1 HB THR 1 -5.284 -10.080 -1.050 6 HG1 THR 1 HG1 THR 1 -5.269 -12.491 -0.607 7 HG21 THR 1 HG21 THR 1 -6.909 -11.692 -1.909 8 HG22 THR 1 HG22 THR 1 -5.778 -12.173 -3.170 9 HG23 THR 1 HG23 THR 1 -6.451 -10.541 -3.162 10 H ALA 2 H ALA 2 -4.023 -7.936 -1.974 11 HA ALA 2 HA ALA 2 -1.424 -7.601 -0.801 12 HB1 ALA 2 HB1 ALA 2 -3.776 -5.700 -0.984 13 HB2 ALA 2 HB2 ALA 2 -2.402 -5.776 -2.091 14 HB3 ALA 2 HB3 ALA 2 -2.158 -5.278 -0.419 15 H SER 3 H SER 3 -1.023 -7.304 1.349 16 HA SER 3 HA SER 3 -3.014 -8.567 3.045 17 HB2 SER 3 HB2 SER 3 -1.055 -8.965 4.550 18 HB3 SER 3 HB3 SER 3 -0.953 -9.738 2.967 19 H HIS 4 H HIS 4 -3.176 -7.884 5.276 20 HA HIS 4 HA HIS 4 -3.808 -5.127 5.452 21 HB2 HIS 4 HB2 HIS 4 -4.936 -7.100 6.643 22 HB3 HIS 4 HB3 HIS 4 -3.569 -7.093 7.739 23 HD1 HIS 4 HD1 HIS 4 -5.333 -6.604 9.612 24 HD2 HIS 4 HD2 HIS 4 -4.892 -3.620 6.802 25 HE1 HIS 4 HE1 HIS 4 -6.513 -4.622 10.575 26 HE2 HIS 4 HE2 HIS 4 -6.647 -3.093 8.564 27 H TYR 5 H TYR 5 -2.499 -3.521 5.966 28 HA TYR 5 HA TYR 5 -0.856 -2.294 6.753 29 HB2 TYR 5 HB2 TYR 5 -0.099 -4.716 8.375 30 HB3 TYR 5 HB3 TYR 5 0.957 -3.312 8.313 31 HD1 TYR 5 HD1 TYR 5 -2.487 -4.388 9.211 32 HD2 TYR 5 HD2 TYR 5 0.550 -1.453 9.688 33 HE1 TYR 5 HE1 TYR 5 -3.792 -3.337 11.008 34 HE2 TYR 5 HE2 TYR 5 -0.743 -0.397 11.485 35 HH TYR 5 HH TYR 5 -3.386 -1.921 12.948 36 H GLY 6 H GLY 6 -0.666 -4.451 4.519 37 HA2 GLY 6 HA2 GLY 6 2.162 -3.978 3.924 38 HA3 GLY 6 HA3 GLY 6 1.100 -5.126 3.100 39 H GLN 7 H GLN 7 2.614 -3.294 1.660 40 HA GLN 7 HA GLN 7 1.075 -0.995 0.972 41 HB2 GLN 7 HB2 GLN 7 3.549 -1.207 0.650 42 HB3 GLN 7 HB3 GLN 7 3.246 -2.403 -0.599 43 HG2 GLN 7 HG2 GLN 7 2.126 -0.716 -1.952 44 HG3 GLN 7 HG3 GLN 7 2.394 0.484 -0.686 45 HE21 GLN 7 HE21 GLN 7 3.696 1.827 -2.088 46 HE22 GLN 7 HE22 GLN 7 5.260 1.291 -2.502 47 H CYS 8 H CYS 8 -0.430 -0.778 -0.615 48 HA CYS 8 HA CYS 8 -1.221 -3.280 -1.981 49 HB2 CYS 8 HB2 CYS 8 -3.534 -2.449 -1.724 50 HB3 CYS 8 HB3 CYS 8 -2.714 -2.902 -0.224 51 H GLY 9 H GLY 9 -0.554 0.102 -2.499 52 HA2 GLY 9 HA2 GLY 9 -0.897 -0.158 -5.301 53 HA3 GLY 9 HA3 GLY 9 -2.351 0.519 -4.582 54 H GLY 10 H GLY 10 1.127 1.001 -4.414 55 HA2 GLY 10 HA2 GLY 10 0.577 3.887 -4.305 56 HA3 GLY 10 HA3 GLY 10 2.040 3.121 -3.698 57 H ILE 11 H ILE 11 2.086 5.267 -5.488 58 HA ILE 11 HA ILE 11 2.407 4.454 -8.163 59 HB ILE 11 HB ILE 11 3.719 6.795 -6.731 60 HG12 ILE 11 HG12 ILE 11 1.170 6.668 -8.376 61 HG13 ILE 11 HG13 ILE 11 1.257 6.843 -6.629 62 HG21 ILE 11 HG21 ILE 11 3.978 7.768 -8.994 63 HG22 ILE 11 HG22 ILE 11 3.356 6.265 -9.684 64 HG23 ILE 11 HG23 ILE 11 4.879 6.262 -8.804 65 HD11 ILE 11 HD11 ILE 11 2.270 8.834 -8.644 66 HD12 ILE 11 HD12 ILE 11 2.327 9.012 -6.887 67 HD13 ILE 11 HD13 ILE 11 0.774 8.963 -7.715 68 H GLY 12 H GLY 12 3.855 3.172 -8.981 69 HA2 GLY 12 HA2 GLY 12 6.151 2.714 -9.508 70 HA3 GLY 12 HA3 GLY 12 6.555 3.027 -7.824 71 H TYR 13 H TYR 13 4.013 1.606 -7.139 72 HA TYR 13 HA TYR 13 5.192 -1.027 -6.843 73 HB2 TYR 13 HB2 TYR 13 4.280 0.074 -4.887 74 HB3 TYR 13 HB3 TYR 13 2.755 0.340 -5.701 75 HD1 TYR 13 HD1 TYR 13 4.960 -2.355 -4.393 76 HD2 TYR 13 HD2 TYR 13 1.023 -1.173 -5.437 77 HE1 TYR 13 HE1 TYR 13 4.072 -4.386 -3.328 78 HE2 TYR 13 HE2 TYR 13 0.128 -3.197 -4.394 79 HH TYR 13 HH TYR 13 0.686 -5.230 -3.602 80 H SER 14 H SER 14 4.513 -2.777 -7.967 81 HA SER 14 HA SER 14 2.041 -2.547 -9.511 82 HB2 SER 14 HB2 SER 14 3.275 -3.752 -11.371 83 HB3 SER 14 HB3 SER 14 3.781 -2.089 -11.086 84 HG SER 14 HG SER 14 5.122 -4.460 -10.738 85 H GLY 15 H GLY 15 3.044 -3.945 -6.991 86 HA2 GLY 15 HA2 GLY 15 2.843 -6.777 -7.582 87 HA3 GLY 15 HA3 GLY 15 2.997 -6.019 -6.003 88 HA PRO 16 HA PRO 16 -1.274 -7.885 -6.071 89 HB2 PRO 16 HB2 PRO 16 -1.179 -7.843 -3.271 90 HB3 PRO 16 HB3 PRO 16 -0.833 -9.243 -4.289 91 HG2 PRO 16 HG2 PRO 16 1.055 -7.240 -3.106 92 HG3 PRO 16 HG3 PRO 16 1.241 -9.009 -3.213 93 HD2 PRO 16 HD2 PRO 16 2.556 -7.463 -4.855 94 HD3 PRO 16 HD3 PRO 16 1.717 -8.879 -5.510 95 H THR 17 H THR 17 -2.711 -6.301 -6.479 96 HA THR 17 HA THR 17 -2.721 -3.895 -4.824 97 HB THR 17 HB THR 17 -4.258 -3.085 -6.699 98 HG1 THR 17 HG1 THR 17 -4.792 -4.549 -8.060 99 HG21 THR 17 HG21 THR 17 -1.900 -2.387 -6.524 100 HG22 THR 17 HG22 THR 17 -2.363 -2.613 -8.212 101 HG23 THR 17 HG23 THR 17 -1.405 -3.842 -7.388 102 H VAL 18 H VAL 18 -4.557 -6.740 -5.550 103 HA VAL 18 HA VAL 18 -7.052 -5.642 -4.603 104 HB VAL 18 HB VAL 18 -6.341 -8.531 -5.218 105 HG11 VAL 18 HG11 VAL 18 -8.763 -8.875 -5.428 106 HG12 VAL 18 HG12 VAL 18 -9.038 -7.206 -4.930 107 HG13 VAL 18 HG13 VAL 18 -8.305 -8.350 -3.808 108 HG21 VAL 18 HG21 VAL 18 -7.659 -6.480 -7.007 109 HG22 VAL 18 HG22 VAL 18 -7.434 -8.187 -7.391 110 HG23 VAL 18 HG23 VAL 18 -6.035 -7.133 -7.201 111 H CYS 19 H CYS 19 -7.232 -5.313 -2.510 112 HA CYS 19 HA CYS 19 -5.657 -6.595 -0.544 113 HB2 CYS 19 HB2 CYS 19 -8.059 -4.815 -0.376 114 HB3 CYS 19 HB3 CYS 19 -7.353 -5.568 1.048 115 H ALA 20 H ALA 20 -6.314 -7.881 1.188 116 HA ALA 20 HA ALA 20 -7.855 -10.135 0.571 117 HB1 ALA 20 HB1 ALA 20 -6.033 -10.143 2.201 118 HB2 ALA 20 HB2 ALA 20 -7.534 -10.679 2.960 119 HB3 ALA 20 HB3 ALA 20 -6.943 -9.043 3.235 120 H SER 21 H SER 21 -9.818 -10.824 1.769 121 HA SER 21 HA SER 21 -11.862 -8.926 1.412 122 HB2 SER 21 HB2 SER 21 -11.956 -11.570 2.861 123 HB3 SER 21 HB3 SER 21 -13.321 -10.713 2.141 124 HG SER 21 HG SER 21 -11.746 -10.891 0.163 125 H GLY 22 H GLY 22 -12.249 -7.268 2.738 126 HA2 GLY 22 HA2 GLY 22 -13.177 -6.590 4.860 127 HA3 GLY 22 HA3 GLY 22 -12.086 -7.730 5.638 128 H THR 23 H THR 23 -10.283 -6.398 3.256 129 HA THR 23 HA THR 23 -9.462 -4.175 4.977 130 HB THR 23 HB THR 23 -7.082 -4.578 4.107 131 HG1 THR 23 HG1 THR 23 -8.413 -6.690 2.895 132 HG21 THR 23 HG21 THR 23 -8.368 -6.729 5.792 133 HG22 THR 23 HG22 THR 23 -7.729 -5.189 6.377 134 HG23 THR 23 HG23 THR 23 -6.640 -6.397 5.696 135 H THR 24 H THR 24 -8.565 -2.294 3.939 136 HA THR 24 HA THR 24 -9.369 -2.076 1.138 137 HB THR 24 HB THR 24 -10.009 0.325 1.772 138 HG1 THR 24 HG1 THR 24 -9.377 -0.677 4.263 139 HG21 THR 24 HG21 THR 24 -11.639 -1.380 1.126 140 HG22 THR 24 HG22 THR 24 -12.275 -0.355 2.408 141 HG23 THR 24 HG23 THR 24 -11.682 -1.977 2.785 142 H CYS 25 H CYS 25 -8.046 -0.912 -0.154 143 HA CYS 25 HA CYS 25 -5.401 -0.402 0.801 144 HB2 CYS 25 HB2 CYS 25 -5.946 -1.251 -1.516 145 HB3 CYS 25 HB3 CYS 25 -6.593 0.354 -1.871 146 H GLN 26 H GLN 26 -4.843 1.455 1.860 147 HA GLN 26 HA GLN 26 -6.355 3.814 1.171 148 HB2 GLN 26 HB2 GLN 26 -5.273 2.889 3.813 149 HB3 GLN 26 HB3 GLN 26 -5.924 4.497 3.523 150 HG2 GLN 26 HG2 GLN 26 -8.079 3.540 2.916 151 HG3 GLN 26 HG3 GLN 26 -7.429 1.921 3.113 152 HE21 GLN 26 HE21 GLN 26 -8.948 1.366 4.609 153 HE22 GLN 26 HE22 GLN 26 -8.949 2.011 6.205 154 H VAL 27 H VAL 27 -5.254 5.409 0.422 155 HA VAL 27 HA VAL 27 -2.429 5.234 0.054 156 HB VAL 27 HB VAL 27 -4.384 7.440 -0.661 157 HG11 VAL 27 HG11 VAL 27 -2.658 8.210 -2.222 158 HG12 VAL 27 HG12 VAL 27 -1.541 7.010 -1.569 159 HG13 VAL 27 HG13 VAL 27 -2.130 8.319 -0.544 160 HG21 VAL 27 HG21 VAL 27 -4.245 6.514 -2.925 161 HG22 VAL 27 HG22 VAL 27 -4.897 5.359 -1.763 162 HG23 VAL 27 HG23 VAL 27 -3.229 5.207 -2.314 163 H LEU 28 H LEU 28 -1.010 5.844 1.484 164 HA LEU 28 HA LEU 28 -1.697 7.833 3.534 165 HB2 LEU 28 HB2 LEU 28 0.668 5.961 3.326 166 HB3 LEU 28 HB3 LEU 28 0.306 7.004 4.687 167 HG LEU 28 HG LEU 28 -1.377 4.659 3.789 168 HD11 LEU 28 HD11 LEU 28 0.470 5.001 6.131 169 HD12 LEU 28 HD12 LEU 28 0.693 3.931 4.739 170 HD13 LEU 28 HD13 LEU 28 -0.618 3.637 5.879 171 HD21 LEU 28 HD21 LEU 28 -2.543 4.998 5.892 172 HD22 LEU 28 HD22 LEU 28 -2.721 6.392 4.813 173 HD23 LEU 28 HD23 LEU 28 -1.581 6.450 6.174 174 H ASN 29 H ASN 29 0.727 6.969 1.149 175 HA ASN 29 HA ASN 29 1.457 9.782 0.786 176 HB2 ASN 29 HB2 ASN 29 3.351 7.380 0.722 177 HB3 ASN 29 HB3 ASN 29 3.782 9.011 0.258 178 HD21 ASN 29 HD21 ASN 29 5.043 7.348 2.185 179 HD22 ASN 29 HD22 ASN 29 4.937 8.129 3.720 180 HA PRO 30 HA PRO 30 0.483 8.708 -3.382 181 HB2 PRO 30 HB2 PRO 30 2.901 9.410 -4.699 182 HB3 PRO 30 HB3 PRO 30 1.382 10.292 -4.697 183 HG2 PRO 30 HG2 PRO 30 3.768 11.050 -3.426 184 HG3 PRO 30 HG3 PRO 30 2.183 11.802 -3.205 185 HD2 PRO 30 HD2 PRO 30 3.697 10.058 -1.439 186 HD3 PRO 30 HD3 PRO 30 2.272 11.040 -1.061 187 H TYR 31 H TYR 31 3.734 7.791 -2.434 188 HA TYR 31 HA TYR 31 3.683 5.595 -4.343 189 HB2 TYR 31 HB2 TYR 31 5.838 6.210 -2.325 190 HB3 TYR 31 HB3 TYR 31 5.974 5.250 -3.788 191 HD1 TYR 31 HD1 TYR 31 5.914 6.415 -6.016 192 HD2 TYR 31 HD2 TYR 31 6.135 8.540 -2.347 193 HE1 TYR 31 HE1 TYR 31 6.686 8.403 -7.220 194 HE2 TYR 31 HE2 TYR 31 6.896 10.536 -3.536 195 HH TYR 31 HH TYR 31 6.644 10.971 -6.773 196 H TYR 32 H TYR 32 3.342 6.235 -0.910 197 HA TYR 32 HA TYR 32 3.286 3.357 -0.471 198 HB2 TYR 32 HB2 TYR 32 4.848 4.617 0.970 199 HB3 TYR 32 HB3 TYR 32 3.486 5.511 1.639 200 HD1 TYR 32 HD1 TYR 32 4.542 1.983 1.069 201 HD2 TYR 32 HD2 TYR 32 2.610 4.755 3.662 202 HE1 TYR 32 HE1 TYR 32 4.260 0.215 2.748 203 HE2 TYR 32 HE2 TYR 32 2.331 2.992 5.333 204 HH TYR 32 HH TYR 32 2.292 0.653 5.524 205 H SER 33 H SER 33 1.413 2.476 -0.550 206 HA SER 33 HA SER 33 -0.811 3.806 0.773 207 HB2 SER 33 HB2 SER 33 -0.972 2.160 -1.795 208 HB3 SER 33 HB3 SER 33 -2.295 3.009 -1.004 209 HG SER 33 HG SER 33 -0.596 4.890 -1.321 210 H GLN 34 H GLN 34 -1.667 2.500 2.300 211 HA GLN 34 HA GLN 34 -0.603 -0.232 2.427 212 HB2 GLN 34 HB2 GLN 34 0.468 1.076 4.117 213 HB3 GLN 34 HB3 GLN 34 -1.046 1.826 4.588 214 HG2 GLN 34 HG2 GLN 34 -1.812 -0.265 5.541 215 HG3 GLN 34 HG3 GLN 34 -0.351 -1.072 4.973 216 HE21 GLN 34 HE21 GLN 34 1.508 -0.915 6.153 217 HE22 GLN 34 HE22 GLN 34 1.608 -0.079 7.647 218 H CYS 35 H CYS 35 -2.009 -1.826 2.976 219 HA CYS 35 HA CYS 35 -4.787 -1.135 2.652 220 HB2 CYS 35 HB2 CYS 35 -3.632 -3.176 1.584 221 HB3 CYS 35 HB3 CYS 35 -3.734 -3.899 3.186 222 H LEU 36 H LEU 36 -6.132 -0.802 4.232 223 HA LEU 36 HA LEU 36 -5.471 -1.726 6.912 224 HB2 LEU 36 HB2 LEU 36 -6.603 0.941 6.080 225 HB3 LEU 36 HB3 LEU 36 -6.479 0.386 7.737 226 HG LEU 36 HG LEU 36 -4.134 0.850 5.893 227 HD11 LEU 36 HD11 LEU 36 -3.672 2.792 7.310 228 HD12 LEU 36 HD12 LEU 36 -5.192 2.519 8.169 229 HD13 LEU 36 HD13 LEU 36 -5.207 2.941 6.458 230 HD21 LEU 36 HD21 LEU 36 -2.789 0.596 7.922 231 HD22 LEU 36 HD22 LEU 36 -3.689 -0.874 7.571 232 HD23 LEU 36 HD23 LEU 36 -4.241 0.214 8.846 233 H1 MAN 101 H1 MAN 101 1.378 -9.354 4.485 234 H2 MAN 101 H2 MAN 101 2.688 -7.267 4.002 235 H3 MAN 101 H3 MAN 101 2.054 -6.960 1.668 236 H4 MAN 101 H4 MAN 101 3.714 -9.471 1.154 237 H5 MAN 101 H5 MAN 101 0.666 -9.020 0.941 238 H61 MAN 101 H61 MAN 101 2.471 -11.405 0.402 239 H62 MAN 101 H62 MAN 101 1.343 -10.628 -0.737 240 HO2 MAN 101 HO2 MAN 101 3.722 -9.251 4.575 241 HO3 MAN 101 HO3 MAN 101 4.215 -6.676 0.832 242 HO4 MAN 101 HO4 MAN 101 3.742 -7.844 -0.495 243 HO6 MAN 101 HO6 MAN 101 0.483 -11.774 1.734 Start of MODEL 9 1 H1 THR 1 H1 THR 1 -3.531 -11.668 -3.804 2 H2 THR 1 H2 THR 1 -2.807 -11.760 -2.285 3 H3 THR 1 H3 THR 1 -2.078 -10.830 -3.489 4 HA THR 1 HA THR 1 -4.045 -9.370 -3.382 5 HB THR 1 HB THR 1 -5.439 -9.702 -1.308 6 HG1 THR 1 HG1 THR 1 -5.347 -11.737 -0.323 7 HG21 THR 1 HG21 THR 1 -6.870 -11.449 -2.288 8 HG22 THR 1 HG22 THR 1 -5.558 -11.926 -3.363 9 HG23 THR 1 HG23 THR 1 -6.301 -10.334 -3.529 10 H ALA 2 H ALA 2 -4.028 -7.615 -1.908 11 HA ALA 2 HA ALA 2 -1.509 -7.332 -0.577 12 HB1 ALA 2 HB1 ALA 2 -3.852 -5.431 -0.760 13 HB2 ALA 2 HB2 ALA 2 -2.460 -5.465 -1.841 14 HB3 ALA 2 HB3 ALA 2 -2.246 -5.042 -0.144 15 H SER 3 H SER 3 -1.181 -7.854 1.351 16 HA SER 3 HA SER 3 -3.189 -8.849 3.114 17 HB2 SER 3 HB2 SER 3 -1.185 -9.170 4.604 18 HB3 SER 3 HB3 SER 3 -1.062 -9.930 3.009 19 H HIS 4 H HIS 4 -3.200 -8.104 5.439 20 HA HIS 4 HA HIS 4 -3.967 -5.373 5.454 21 HB2 HIS 4 HB2 HIS 4 -4.959 -7.324 6.834 22 HB3 HIS 4 HB3 HIS 4 -3.578 -7.129 7.890 23 HD1 HIS 4 HD1 HIS 4 -5.730 -6.667 9.582 24 HD2 HIS 4 HD2 HIS 4 -4.780 -3.731 6.821 25 HE1 HIS 4 HE1 HIS 4 -6.925 -4.611 10.349 26 HE2 HIS 4 HE2 HIS 4 -6.759 -3.191 8.283 27 H TYR 5 H TYR 5 -2.777 -3.660 5.927 28 HA TYR 5 HA TYR 5 -1.206 -2.290 6.609 29 HB2 TYR 5 HB2 TYR 5 -0.024 -4.555 8.231 30 HB3 TYR 5 HB3 TYR 5 0.502 -2.883 8.303 31 HD1 TYR 5 HD1 TYR 5 -1.857 -5.319 9.484 32 HD2 TYR 5 HD2 TYR 5 -1.121 -1.148 9.153 33 HE1 TYR 5 HE1 TYR 5 -3.532 -4.894 11.213 34 HE2 TYR 5 HE2 TYR 5 -2.803 -0.714 10.891 35 HH TYR 5 HH TYR 5 -4.743 -1.802 11.812 36 H GLY 6 H GLY 6 -0.844 -4.556 4.474 37 HA2 GLY 6 HA2 GLY 6 1.995 -4.122 3.980 38 HA3 GLY 6 HA3 GLY 6 0.920 -5.179 3.064 39 H GLN 7 H GLN 7 2.606 -3.438 1.744 40 HA GLN 7 HA GLN 7 1.212 -1.038 1.052 41 HB2 GLN 7 HB2 GLN 7 3.679 -1.207 0.820 42 HB3 GLN 7 HB3 GLN 7 3.467 -2.469 -0.385 43 HG2 GLN 7 HG2 GLN 7 2.481 -0.945 -1.921 44 HG3 GLN 7 HG3 GLN 7 2.458 0.361 -0.746 45 HE21 GLN 7 HE21 GLN 7 3.809 1.738 -2.056 46 HE22 GLN 7 HE22 GLN 7 5.446 1.368 -2.307 47 H CYS 8 H CYS 8 -0.454 -0.940 -0.204 48 HA CYS 8 HA CYS 8 -1.190 -3.353 -1.673 49 HB2 CYS 8 HB2 CYS 8 -3.456 -2.375 -1.684 50 HB3 CYS 8 HB3 CYS 8 -2.782 -2.655 -0.077 51 H GLY 9 H GLY 9 -0.731 0.126 -2.228 52 HA2 GLY 9 HA2 GLY 9 -0.497 -0.318 -5.051 53 HA3 GLY 9 HA3 GLY 9 -2.097 0.251 -4.599 54 H GLY 10 H GLY 10 1.286 1.057 -4.231 55 HA2 GLY 10 HA2 GLY 10 0.461 3.879 -4.226 56 HA3 GLY 10 HA3 GLY 10 2.009 3.273 -3.629 57 H ILE 11 H ILE 11 2.071 5.282 -5.449 58 HA ILE 11 HA ILE 11 2.132 4.443 -8.136 59 HB ILE 11 HB ILE 11 3.675 6.707 -6.814 60 HG12 ILE 11 HG12 ILE 11 1.095 6.754 -8.410 61 HG13 ILE 11 HG13 ILE 11 1.203 6.882 -6.657 62 HG21 ILE 11 HG21 ILE 11 4.730 6.074 -8.929 63 HG22 ILE 11 HG22 ILE 11 3.929 7.638 -9.078 64 HG23 ILE 11 HG23 ILE 11 3.176 6.195 -9.754 65 HD11 ILE 11 HD11 ILE 11 2.426 8.984 -6.891 66 HD12 ILE 11 HD12 ILE 11 0.859 9.052 -7.700 67 HD13 ILE 11 HD13 ILE 11 2.332 8.841 -8.647 68 H GLY 12 H GLY 12 3.539 3.268 -9.253 69 HA2 GLY 12 HA2 GLY 12 5.668 2.511 -9.882 70 HA3 GLY 12 HA3 GLY 12 6.276 2.982 -8.303 71 H TYR 13 H TYR 13 3.813 1.622 -7.148 72 HA TYR 13 HA TYR 13 5.146 -0.885 -6.760 73 HB2 TYR 13 HB2 TYR 13 4.155 0.238 -4.833 74 HB3 TYR 13 HB3 TYR 13 2.573 0.198 -5.580 75 HD1 TYR 13 HD1 TYR 13 1.129 -1.552 -5.081 76 HD2 TYR 13 HD2 TYR 13 5.284 -2.070 -4.380 77 HE1 TYR 13 HE1 TYR 13 0.667 -3.686 -3.976 78 HE2 TYR 13 HE2 TYR 13 4.828 -4.218 -3.257 79 HH TYR 13 HH TYR 13 1.600 -5.600 -3.287 80 H SER 14 H SER 14 4.879 -2.536 -8.013 81 HA SER 14 HA SER 14 2.458 -2.732 -9.641 82 HB2 SER 14 HB2 SER 14 3.982 -4.254 -11.038 83 HB3 SER 14 HB3 SER 14 4.341 -2.527 -11.033 84 HG SER 14 HG SER 14 6.037 -2.857 -9.707 85 H GLY 15 H GLY 15 3.079 -3.705 -6.840 86 HA2 GLY 15 HA2 GLY 15 2.889 -6.589 -7.035 87 HA3 GLY 15 HA3 GLY 15 2.813 -5.666 -5.549 88 HA PRO 16 HA PRO 16 -1.452 -7.430 -6.541 89 HB2 PRO 16 HB2 PRO 16 -1.753 -8.000 -3.837 90 HB3 PRO 16 HB3 PRO 16 -1.221 -9.155 -5.065 91 HG2 PRO 16 HG2 PRO 16 0.478 -7.401 -3.287 92 HG3 PRO 16 HG3 PRO 16 0.644 -9.158 -3.582 93 HD2 PRO 16 HD2 PRO 16 2.201 -7.504 -4.794 94 HD3 PRO 16 HD3 PRO 16 1.385 -8.739 -5.781 95 H THR 17 H THR 17 -2.660 -5.585 -6.823 96 HA THR 17 HA THR 17 -2.719 -3.579 -4.759 97 HB THR 17 HB THR 17 -4.278 -2.414 -6.408 98 HG1 THR 17 HG1 THR 17 -3.407 -3.674 -8.556 99 HG21 THR 17 HG21 THR 17 -1.490 -3.145 -7.327 100 HG22 THR 17 HG22 THR 17 -1.895 -1.843 -6.211 101 HG23 THR 17 HG23 THR 17 -2.418 -1.755 -7.892 102 H VAL 18 H VAL 18 -4.625 -6.230 -5.797 103 HA VAL 18 HA VAL 18 -7.064 -5.298 -4.572 104 HB VAL 18 HB VAL 18 -6.338 -8.102 -5.492 105 HG11 VAL 18 HG11 VAL 18 -8.187 -8.094 -3.901 106 HG12 VAL 18 HG12 VAL 18 -8.754 -8.507 -5.519 107 HG13 VAL 18 HG13 VAL 18 -9.032 -6.889 -4.874 108 HG21 VAL 18 HG21 VAL 18 -6.246 -6.518 -7.339 109 HG22 VAL 18 HG22 VAL 18 -7.860 -5.933 -6.935 110 HG23 VAL 18 HG23 VAL 18 -7.640 -7.587 -7.509 111 H CYS 19 H CYS 19 -7.349 -5.306 -2.470 112 HA CYS 19 HA CYS 19 -5.559 -6.580 -0.664 113 HB2 CYS 19 HB2 CYS 19 -8.075 -4.994 -0.286 114 HB3 CYS 19 HB3 CYS 19 -7.226 -5.754 1.051 115 H ALA 20 H ALA 20 -6.439 -7.752 1.251 116 HA ALA 20 HA ALA 20 -7.760 -10.144 0.397 117 HB1 ALA 20 HB1 ALA 20 -7.325 -10.883 2.706 118 HB2 ALA 20 HB2 ALA 20 -6.796 -9.250 3.117 119 HB3 ALA 20 HB3 ALA 20 -5.874 -10.207 1.959 120 H SER 21 H SER 21 -9.431 -10.967 2.274 121 HA SER 21 HA SER 21 -11.740 -9.385 1.899 122 HB2 SER 21 HB2 SER 21 -11.303 -11.710 3.784 123 HB3 SER 21 HB3 SER 21 -12.835 -11.160 3.106 124 HG SER 21 HG SER 21 -12.075 -11.732 1.048 125 H GLY 22 H GLY 22 -12.264 -7.608 3.097 126 HA2 GLY 22 HA2 GLY 22 -12.889 -6.610 5.117 127 HA3 GLY 22 HA3 GLY 22 -11.872 -7.757 5.979 128 H THR 23 H THR 23 -10.536 -6.147 3.254 129 HA THR 23 HA THR 23 -9.302 -4.155 4.965 130 HB THR 23 HB THR 23 -7.074 -4.645 3.803 131 HG1 THR 23 HG1 THR 23 -8.619 -6.738 2.824 132 HG21 THR 23 HG21 THR 23 -6.451 -6.458 5.356 133 HG22 THR 23 HG22 THR 23 -8.156 -6.769 5.667 134 HG23 THR 23 HG23 THR 23 -7.438 -5.236 6.151 135 H THR 24 H THR 24 -8.584 -2.281 3.861 136 HA THR 24 HA THR 24 -9.459 -2.078 1.076 137 HB THR 24 HB THR 24 -10.034 0.347 1.675 138 HG1 THR 24 HG1 THR 24 -9.382 -0.638 4.162 139 HG21 THR 24 HG21 THR 24 -11.720 -1.891 2.792 140 HG22 THR 24 HG22 THR 24 -11.766 -1.248 1.144 141 HG23 THR 24 HG23 THR 24 -12.284 -0.249 2.494 142 H CYS 25 H CYS 25 -8.057 -1.069 -0.260 143 HA CYS 25 HA CYS 25 -5.426 -0.450 0.673 144 HB2 CYS 25 HB2 CYS 25 -5.843 -1.482 -1.544 145 HB3 CYS 25 HB3 CYS 25 -6.667 -0.011 -2.051 146 H GLN 26 H GLN 26 -4.972 1.444 1.701 147 HA GLN 26 HA GLN 26 -6.408 3.805 0.805 148 HB2 GLN 26 HB2 GLN 26 -5.394 3.033 3.528 149 HB3 GLN 26 HB3 GLN 26 -6.118 4.583 3.118 150 HG2 GLN 26 HG2 GLN 26 -8.204 3.447 2.519 151 HG3 GLN 26 HG3 GLN 26 -7.469 1.897 2.895 152 HE21 GLN 26 HE21 GLN 26 -9.035 1.440 4.406 153 HE22 GLN 26 HE22 GLN 26 -9.071 2.184 5.950 154 H VAL 27 H VAL 27 -5.197 5.383 0.072 155 HA VAL 27 HA VAL 27 -2.363 5.103 -0.167 156 HB VAL 27 HB VAL 27 -4.185 7.426 -0.871 157 HG11 VAL 27 HG11 VAL 27 -1.885 8.173 -0.647 158 HG12 VAL 27 HG12 VAL 27 -2.377 8.189 -2.342 159 HG13 VAL 27 HG13 VAL 27 -1.345 6.893 -1.732 160 HG21 VAL 27 HG21 VAL 27 -4.769 5.419 -2.111 161 HG22 VAL 27 HG22 VAL 27 -3.090 5.220 -2.612 162 HG23 VAL 27 HG23 VAL 27 -4.019 6.605 -3.181 163 H LEU 28 H LEU 28 -0.924 5.737 1.303 164 HA LEU 28 HA LEU 28 -1.750 7.643 3.387 165 HB2 LEU 28 HB2 LEU 28 0.594 5.749 3.271 166 HB3 LEU 28 HB3 LEU 28 0.269 6.844 4.595 167 HG LEU 28 HG LEU 28 -1.514 4.543 3.767 168 HD11 LEU 28 HD11 LEU 28 -0.738 3.538 5.871 169 HD12 LEU 28 HD12 LEU 28 0.422 4.865 6.048 170 HD13 LEU 28 HD13 LEU 28 0.537 3.762 4.678 171 HD21 LEU 28 HD21 LEU 28 -2.639 4.961 5.870 172 HD22 LEU 28 HD22 LEU 28 -2.759 6.371 4.807 173 HD23 LEU 28 HD23 LEU 28 -1.604 6.358 6.156 174 H ASN 29 H ASN 29 0.647 6.978 0.948 175 HA ASN 29 HA ASN 29 1.376 9.778 0.811 176 HB2 ASN 29 HB2 ASN 29 3.370 7.466 0.963 177 HB3 ASN 29 HB3 ASN 29 3.775 9.116 0.509 178 HD21 ASN 29 HD21 ASN 29 3.102 6.946 3.115 179 HD22 ASN 29 HD22 ASN 29 3.494 8.044 4.371 180 HA PRO 30 HA PRO 30 0.803 8.843 -3.419 181 HB2 PRO 30 HB2 PRO 30 3.264 9.532 -4.624 182 HB3 PRO 30 HB3 PRO 30 1.797 10.495 -4.568 183 HG2 PRO 30 HG2 PRO 30 4.239 10.920 -3.143 184 HG3 PRO 30 HG3 PRO 30 2.770 11.896 -3.090 185 HD2 PRO 30 HD2 PRO 30 3.842 10.120 -1.130 186 HD3 PRO 30 HD3 PRO 30 2.390 11.115 -0.984 187 H TYR 31 H TYR 31 3.923 7.664 -2.266 188 HA TYR 31 HA TYR 31 3.715 5.550 -4.275 189 HB2 TYR 31 HB2 TYR 31 6.030 6.131 -2.420 190 HB3 TYR 31 HB3 TYR 31 6.019 4.999 -3.764 191 HD1 TYR 31 HD1 TYR 31 5.664 5.947 -6.108 192 HD2 TYR 31 HD2 TYR 31 6.627 8.366 -2.754 193 HE1 TYR 31 HE1 TYR 31 6.407 7.728 -7.619 194 HE2 TYR 31 HE2 TYR 31 7.370 10.155 -4.246 195 HH TYR 31 HH TYR 31 6.655 10.220 -7.522 196 H TYR 32 H TYR 32 3.464 6.114 -0.863 197 HA TYR 32 HA TYR 32 3.313 3.229 -0.469 198 HB2 TYR 32 HB2 TYR 32 4.871 4.503 0.964 199 HB3 TYR 32 HB3 TYR 32 3.497 5.364 1.647 200 HD1 TYR 32 HD1 TYR 32 2.333 4.447 3.471 201 HD2 TYR 32 HD2 TYR 32 4.954 1.975 1.227 202 HE1 TYR 32 HE1 TYR 32 2.096 2.688 5.160 203 HE2 TYR 32 HE2 TYR 32 4.736 0.204 2.894 204 HH TYR 32 HH TYR 32 2.372 0.306 5.404 205 H SER 33 H SER 33 1.393 2.426 -0.638 206 HA SER 33 HA SER 33 -0.806 3.779 0.722 207 HB2 SER 33 HB2 SER 33 -1.020 1.964 -1.722 208 HB3 SER 33 HB3 SER 33 -2.326 2.835 -0.927 209 HG SER 33 HG SER 33 -1.314 3.790 -2.881 210 H GLN 34 H GLN 34 -1.867 2.466 2.148 211 HA GLN 34 HA GLN 34 -0.663 -0.191 2.462 212 HB2 GLN 34 HB2 GLN 34 0.152 1.484 4.103 213 HB3 GLN 34 HB3 GLN 34 -1.499 1.715 4.641 214 HG2 GLN 34 HG2 GLN 34 -1.610 -0.574 5.377 215 HG3 GLN 34 HG3 GLN 34 0.024 -0.868 4.778 216 HE21 GLN 34 HE21 GLN 34 -1.888 0.537 7.250 217 HE22 GLN 34 HE22 GLN 34 -0.594 0.955 8.308 218 H CYS 35 H CYS 35 -2.050 -1.798 3.005 219 HA CYS 35 HA CYS 35 -4.823 -1.158 2.564 220 HB2 CYS 35 HB2 CYS 35 -3.664 -3.177 1.530 221 HB3 CYS 35 HB3 CYS 35 -3.698 -3.884 3.142 222 H LEU 36 H LEU 36 -6.146 -0.725 4.107 223 HA LEU 36 HA LEU 36 -5.597 -1.659 6.816 224 HB2 LEU 36 HB2 LEU 36 -6.911 0.883 5.864 225 HB3 LEU 36 HB3 LEU 36 -6.934 0.341 7.525 226 HG LEU 36 HG LEU 36 -4.428 1.018 5.981 227 HD11 LEU 36 HD11 LEU 36 -4.359 3.022 7.392 228 HD12 LEU 36 HD12 LEU 36 -5.917 2.579 8.092 229 HD13 LEU 36 HD13 LEU 36 -5.807 3.001 6.384 230 HD21 LEU 36 HD21 LEU 36 -3.399 0.963 8.228 231 HD22 LEU 36 HD22 LEU 36 -4.004 -0.606 7.709 232 HD23 LEU 36 HD23 LEU 36 -4.918 0.349 8.878 233 H1 MAN 101 H1 MAN 101 1.343 -9.418 4.334 234 H2 MAN 101 H2 MAN 101 2.271 -7.045 3.548 235 H3 MAN 101 H3 MAN 101 3.296 -6.909 1.462 236 H4 MAN 101 H4 MAN 101 2.067 -8.122 -0.317 237 H5 MAN 101 H5 MAN 101 0.082 -9.647 0.750 238 H61 MAN 101 H61 MAN 101 2.961 -10.425 0.227 239 H62 MAN 101 H62 MAN 101 1.614 -10.490 -0.925 240 HO2 MAN 101 HO2 MAN 101 4.335 -7.987 3.806 241 HO3 MAN 101 HO3 MAN 101 4.704 -8.603 1.915 242 HO4 MAN 101 HO4 MAN 101 0.491 -7.140 1.831 243 HO6 MAN 101 HO6 MAN 101 2.298 -12.271 1.098 Start of MODEL 10 1 H1 THR 1 H1 THR 1 -2.485 -11.246 -3.744 2 H2 THR 1 H2 THR 1 -3.912 -12.148 -3.500 3 H3 THR 1 H3 THR 1 -2.831 -11.888 -2.233 4 HA THR 1 HA THR 1 -4.349 -9.757 -3.493 5 HB THR 1 HB THR 1 -5.387 -9.752 -1.156 6 HG1 THR 1 HG1 THR 1 -5.257 -12.000 -0.217 7 HG21 THR 1 HG21 THR 1 -5.904 -12.190 -2.885 8 HG22 THR 1 HG22 THR 1 -6.612 -10.594 -3.135 9 HG23 THR 1 HG23 THR 1 -7.009 -11.516 -1.687 10 H ALA 2 H ALA 2 -4.248 -7.874 -1.865 11 HA ALA 2 HA ALA 2 -1.508 -7.501 -0.963 12 HB1 ALA 2 HB1 ALA 2 -2.547 -5.711 -2.289 13 HB2 ALA 2 HB2 ALA 2 -2.188 -5.154 -0.650 14 HB3 ALA 2 HB3 ALA 2 -3.839 -5.564 -1.095 15 H SER 3 H SER 3 -0.983 -7.588 1.119 16 HA SER 3 HA SER 3 -2.987 -8.467 2.938 17 HB2 SER 3 HB2 SER 3 -0.903 -8.615 4.482 18 HB3 SER 3 HB3 SER 3 -1.125 -9.784 3.186 19 H HIS 4 H HIS 4 -3.117 -7.777 5.066 20 HA HIS 4 HA HIS 4 -3.728 -5.055 5.359 21 HB2 HIS 4 HB2 HIS 4 -4.689 -7.096 6.573 22 HB3 HIS 4 HB3 HIS 4 -3.250 -7.053 7.568 23 HD1 HIS 4 HD1 HIS 4 -4.464 -6.497 9.736 24 HD2 HIS 4 HD2 HIS 4 -5.253 -3.834 6.676 25 HE1 HIS 4 HE1 HIS 4 -5.811 -4.676 10.784 26 HE2 HIS 4 HE2 HIS 4 -6.601 -3.351 8.809 27 H TYR 5 H TYR 5 -2.447 -3.428 5.860 28 HA TYR 5 HA TYR 5 -0.842 -2.151 6.595 29 HB2 TYR 5 HB2 TYR 5 0.027 -4.530 8.218 30 HB3 TYR 5 HB3 TYR 5 0.986 -3.052 8.192 31 HD1 TYR 5 HD1 TYR 5 -2.123 -4.594 9.351 32 HD2 TYR 5 HD2 TYR 5 0.107 -0.983 9.143 33 HE1 TYR 5 HE1 TYR 5 -3.588 -3.586 11.045 34 HE2 TYR 5 HE2 TYR 5 -1.354 0.026 10.836 35 HH TYR 5 HH TYR 5 -3.594 -0.256 11.671 36 H GLY 6 H GLY 6 -0.472 -4.389 4.392 37 HA2 GLY 6 HA2 GLY 6 2.325 -3.779 3.835 38 HA3 GLY 6 HA3 GLY 6 1.313 -4.941 2.972 39 H GLN 7 H GLN 7 2.848 -3.083 1.613 40 HA GLN 7 HA GLN 7 1.344 -0.797 0.864 41 HB2 GLN 7 HB2 GLN 7 3.816 -1.046 0.448 42 HB3 GLN 7 HB3 GLN 7 3.431 -2.257 -0.773 43 HG2 GLN 7 HG2 GLN 7 2.267 -0.617 -2.100 44 HG3 GLN 7 HG3 GLN 7 2.539 0.627 -0.891 45 HE21 GLN 7 HE21 GLN 7 3.748 1.978 -2.301 46 HE22 GLN 7 HE22 GLN 7 5.282 1.525 -2.854 47 H CYS 8 H CYS 8 -0.450 -0.767 -0.265 48 HA CYS 8 HA CYS 8 -1.211 -3.214 -1.687 49 HB2 CYS 8 HB2 CYS 8 -3.495 -2.296 -1.590 50 HB3 CYS 8 HB3 CYS 8 -2.732 -2.619 -0.029 51 H GLY 9 H GLY 9 -0.639 0.183 -2.319 52 HA2 GLY 9 HA2 GLY 9 -0.726 -0.260 -5.135 53 HA3 GLY 9 HA3 GLY 9 -2.228 0.448 -4.555 54 H GLY 10 H GLY 10 1.229 0.913 -4.209 55 HA2 GLY 10 HA2 GLY 10 0.703 3.801 -4.213 56 HA3 GLY 10 HA3 GLY 10 2.137 3.043 -3.518 57 H ILE 11 H ILE 11 2.316 5.099 -5.385 58 HA ILE 11 HA ILE 11 2.610 4.254 -8.036 59 HB ILE 11 HB ILE 11 4.215 6.398 -6.602 60 HG12 ILE 11 HG12 ILE 11 1.660 6.670 -8.208 61 HG13 ILE 11 HG13 ILE 11 1.747 6.692 -6.452 62 HG21 ILE 11 HG21 ILE 11 4.522 7.371 -8.851 63 HG22 ILE 11 HG22 ILE 11 3.676 5.991 -9.557 64 HG23 ILE 11 HG23 ILE 11 5.219 5.754 -8.741 65 HD11 ILE 11 HD11 ILE 11 3.040 8.670 -8.307 66 HD12 ILE 11 HD12 ILE 11 3.114 8.705 -6.544 67 HD13 ILE 11 HD13 ILE 11 1.571 8.935 -7.366 68 H GLY 12 H GLY 12 4.025 2.878 -8.922 69 HA2 GLY 12 HA2 GLY 12 6.249 2.146 -9.334 70 HA3 GLY 12 HA3 GLY 12 6.661 2.589 -7.687 71 H TYR 13 H TYR 13 3.915 1.218 -7.072 72 HA TYR 13 HA TYR 13 5.124 -1.361 -6.521 73 HB2 TYR 13 HB2 TYR 13 3.953 -0.267 -4.696 74 HB3 TYR 13 HB3 TYR 13 2.506 -0.107 -5.670 75 HD1 TYR 13 HD1 TYR 13 0.835 -1.698 -5.481 76 HD2 TYR 13 HD2 TYR 13 4.753 -2.700 -4.175 77 HE1 TYR 13 HE1 TYR 13 -0.024 -3.788 -4.538 78 HE2 TYR 13 HE2 TYR 13 3.898 -4.803 -3.222 79 HH TYR 13 HH TYR 13 0.574 -5.796 -3.790 80 H SER 14 H SER 14 4.984 -2.887 -7.994 81 HA SER 14 HA SER 14 2.822 -2.843 -9.929 82 HB2 SER 14 HB2 SER 14 4.422 -4.501 -11.053 83 HB3 SER 14 HB3 SER 14 4.947 -2.821 -10.932 84 HG SER 14 HG SER 14 6.617 -3.596 -9.971 85 H GLY 15 H GLY 15 3.073 -4.074 -7.028 86 HA2 GLY 15 HA2 GLY 15 2.631 -6.887 -7.545 87 HA3 GLY 15 HA3 GLY 15 2.641 -6.122 -5.963 88 HA PRO 16 HA PRO 16 -1.731 -7.450 -6.951 89 HB2 PRO 16 HB2 PRO 16 -2.016 -8.268 -4.316 90 HB3 PRO 16 HB3 PRO 16 -1.555 -9.333 -5.650 91 HG2 PRO 16 HG2 PRO 16 0.242 -7.842 -3.736 92 HG3 PRO 16 HG3 PRO 16 0.317 -9.566 -4.202 93 HD2 PRO 16 HD2 PRO 16 1.938 -7.849 -5.252 94 HD3 PRO 16 HD3 PRO 16 1.102 -8.988 -6.331 95 H THR 17 H THR 17 -3.084 -5.759 -6.844 96 HA THR 17 HA THR 17 -2.812 -3.816 -4.681 97 HB THR 17 HB THR 17 -4.254 -2.383 -6.182 98 HG1 THR 17 HG1 THR 17 -3.595 -4.324 -8.163 99 HG21 THR 17 HG21 THR 17 -1.811 -2.132 -6.112 100 HG22 THR 17 HG22 THR 17 -2.433 -1.833 -7.731 101 HG23 THR 17 HG23 THR 17 -1.646 -3.372 -7.357 102 H VAL 18 H VAL 18 -4.852 -6.320 -5.777 103 HA VAL 18 HA VAL 18 -7.240 -5.352 -4.514 104 HB VAL 18 HB VAL 18 -6.547 -8.117 -5.592 105 HG11 VAL 18 HG11 VAL 18 -8.322 -8.252 -3.916 106 HG12 VAL 18 HG12 VAL 18 -8.946 -8.579 -5.532 107 HG13 VAL 18 HG13 VAL 18 -9.231 -7.010 -4.778 108 HG21 VAL 18 HG21 VAL 18 -7.951 -7.499 -7.506 109 HG22 VAL 18 HG22 VAL 18 -6.584 -6.399 -7.336 110 HG23 VAL 18 HG23 VAL 18 -8.189 -5.898 -6.813 111 H CYS 19 H CYS 19 -7.412 -5.322 -2.405 112 HA CYS 19 HA CYS 19 -5.621 -6.656 -0.641 113 HB2 CYS 19 HB2 CYS 19 -8.077 -4.991 -0.222 114 HB3 CYS 19 HB3 CYS 19 -7.218 -5.760 1.107 115 H ALA 20 H ALA 20 -6.463 -7.861 1.277 116 HA ALA 20 HA ALA 20 -7.992 -10.126 0.433 117 HB1 ALA 20 HB1 ALA 20 -6.063 -10.383 1.916 118 HB2 ALA 20 HB2 ALA 20 -7.536 -10.935 2.719 119 HB3 ALA 20 HB3 ALA 20 -6.848 -9.359 3.118 120 H SER 21 H SER 21 -9.757 -10.892 1.969 121 HA SER 21 HA SER 21 -11.936 -9.166 1.900 122 HB2 SER 21 HB2 SER 21 -11.554 -11.570 3.683 123 HB3 SER 21 HB3 SER 21 -13.092 -10.884 3.146 124 HG SER 21 HG SER 21 -11.930 -11.251 0.961 125 H GLY 22 H GLY 22 -12.371 -7.440 3.076 126 HA2 GLY 22 HA2 GLY 22 -13.059 -6.545 5.171 127 HA3 GLY 22 HA3 GLY 22 -11.841 -7.539 5.952 128 H THR 23 H THR 23 -10.033 -6.636 3.637 129 HA THR 23 HA THR 23 -9.185 -4.232 5.068 130 HB THR 23 HB THR 23 -6.922 -4.690 4.083 131 HG1 THR 23 HG1 THR 23 -8.349 -6.638 2.751 132 HG21 THR 23 HG21 THR 23 -7.444 -5.432 6.342 133 HG22 THR 23 HG22 THR 23 -6.415 -6.610 5.534 134 HG23 THR 23 HG23 THR 23 -8.142 -6.922 5.709 135 H THR 24 H THR 24 -8.500 -2.365 3.931 136 HA THR 24 HA THR 24 -9.386 -2.250 1.129 137 HB THR 24 HB THR 24 -10.184 0.091 1.615 138 HG1 THR 24 HG1 THR 24 -9.354 -0.650 4.174 139 HG21 THR 24 HG21 THR 24 -12.328 -0.606 2.619 140 HG22 THR 24 HG22 THR 24 -11.598 -2.142 3.087 141 HG23 THR 24 HG23 THR 24 -11.790 -1.737 1.378 142 H CYS 25 H CYS 25 -8.181 -0.828 -0.226 143 HA CYS 25 HA CYS 25 -5.516 -0.372 0.763 144 HB2 CYS 25 HB2 CYS 25 -5.905 -1.270 -1.540 145 HB3 CYS 25 HB3 CYS 25 -6.659 0.263 -1.972 146 H GLN 26 H GLN 26 -5.028 1.405 1.876 147 HA GLN 26 HA GLN 26 -6.454 3.838 1.211 148 HB2 GLN 26 HB2 GLN 26 -5.254 2.898 3.820 149 HB3 GLN 26 HB3 GLN 26 -5.982 4.478 3.559 150 HG2 GLN 26 HG2 GLN 26 -8.124 3.407 3.027 151 HG3 GLN 26 HG3 GLN 26 -7.393 1.831 3.266 152 HE21 GLN 26 HE21 GLN 26 -8.867 1.288 4.837 153 HE22 GLN 26 HE22 GLN 26 -8.852 1.964 6.418 154 H VAL 27 H VAL 27 -5.235 5.175 0.098 155 HA VAL 27 HA VAL 27 -2.397 4.897 -0.065 156 HB VAL 27 HB VAL 27 -4.162 7.104 -1.176 157 HG11 VAL 27 HG11 VAL 27 -1.398 6.228 -1.959 158 HG12 VAL 27 HG12 VAL 27 -1.814 7.706 -1.107 159 HG13 VAL 27 HG13 VAL 27 -2.344 7.468 -2.779 160 HG21 VAL 27 HG21 VAL 27 -4.905 4.942 -2.031 161 HG22 VAL 27 HG22 VAL 27 -3.244 4.561 -2.513 162 HG23 VAL 27 HG23 VAL 27 -4.102 5.878 -3.299 163 H LEU 28 H LEU 28 -1.264 5.513 1.647 164 HA LEU 28 HA LEU 28 -2.165 7.611 3.425 165 HB2 LEU 28 HB2 LEU 28 0.428 6.076 3.410 166 HB3 LEU 28 HB3 LEU 28 -0.153 7.090 4.718 167 HG LEU 28 HG LEU 28 -1.301 4.447 3.814 168 HD11 LEU 28 HD11 LEU 28 0.041 5.287 6.369 169 HD12 LEU 28 HD12 LEU 28 0.762 4.323 5.091 170 HD13 LEU 28 HD13 LEU 28 -0.604 3.681 6.011 171 HD21 LEU 28 HD21 LEU 28 -2.216 6.294 6.000 172 HD22 LEU 28 HD22 LEU 28 -2.792 4.645 5.724 173 HD23 LEU 28 HD23 LEU 28 -3.110 5.907 4.519 174 H ASN 29 H ASN 29 0.524 7.001 1.250 175 HA ASN 29 HA ASN 29 1.024 9.877 0.992 176 HB2 ASN 29 HB2 ASN 29 3.150 7.665 1.041 177 HB3 ASN 29 HB3 ASN 29 3.420 9.342 0.609 178 HD21 ASN 29 HD21 ASN 29 1.542 8.217 3.346 179 HD22 ASN 29 HD22 ASN 29 2.583 8.845 4.570 180 HA PRO 30 HA PRO 30 0.426 8.878 -3.252 181 HB2 PRO 30 HB2 PRO 30 2.835 9.750 -4.454 182 HB3 PRO 30 HB3 PRO 30 1.286 10.570 -4.446 183 HG2 PRO 30 HG2 PRO 30 3.635 11.285 -3.034 184 HG3 PRO 30 HG3 PRO 30 2.057 12.079 -2.944 185 HD2 PRO 30 HD2 PRO 30 3.386 10.410 -1.021 186 HD3 PRO 30 HD3 PRO 30 1.868 11.274 -0.807 187 H TYR 31 H TYR 31 3.738 8.065 -2.248 188 HA TYR 31 HA TYR 31 3.670 5.876 -4.153 189 HB2 TYR 31 HB2 TYR 31 5.883 6.808 -2.311 190 HB3 TYR 31 HB3 TYR 31 6.003 5.410 -3.361 191 HD1 TYR 31 HD1 TYR 31 5.386 9.089 -3.461 192 HD2 TYR 31 HD2 TYR 31 6.755 5.645 -5.537 193 HE1 TYR 31 HE1 TYR 31 6.171 10.515 -5.289 194 HE2 TYR 31 HE2 TYR 31 7.538 7.061 -7.379 195 HH TYR 31 HH TYR 31 7.776 10.436 -7.094 196 H TYR 32 H TYR 32 3.256 6.447 -0.748 197 HA TYR 32 HA TYR 32 3.331 3.554 -0.377 198 HB2 TYR 32 HB2 TYR 32 4.796 4.834 1.153 199 HB3 TYR 32 HB3 TYR 32 3.358 5.624 1.812 200 HD1 TYR 32 HD1 TYR 32 2.272 4.656 3.657 201 HD2 TYR 32 HD2 TYR 32 4.769 2.230 1.204 202 HE1 TYR 32 HE1 TYR 32 1.953 2.766 5.194 203 HE2 TYR 32 HE2 TYR 32 4.456 0.343 2.741 204 HH TYR 32 HH TYR 32 2.138 0.529 5.323 205 H SER 33 H SER 33 1.500 2.607 -0.580 206 HA SER 33 HA SER 33 -0.839 3.818 0.710 207 HB2 SER 33 HB2 SER 33 -0.874 1.911 -1.663 208 HB3 SER 33 HB3 SER 33 -2.231 2.803 -0.980 209 HG SER 33 HG SER 33 -1.191 3.694 -2.929 210 H GLN 34 H GLN 34 -1.854 2.497 2.178 211 HA GLN 34 HA GLN 34 -0.618 -0.130 2.540 212 HB2 GLN 34 HB2 GLN 34 0.312 1.308 4.195 213 HB3 GLN 34 HB3 GLN 34 -1.253 2.000 4.569 214 HG2 GLN 34 HG2 GLN 34 -1.953 -0.039 5.628 215 HG3 GLN 34 HG3 GLN 34 -0.477 -0.848 5.097 216 HE21 GLN 34 HE21 GLN 34 1.366 -0.634 6.285 217 HE22 GLN 34 HE22 GLN 34 1.488 0.324 7.704 218 H CYS 35 H CYS 35 -1.980 -1.776 2.929 219 HA CYS 35 HA CYS 35 -4.773 -1.177 2.588 220 HB2 CYS 35 HB2 CYS 35 -3.621 -3.199 1.493 221 HB3 CYS 35 HB3 CYS 35 -3.623 -3.907 3.101 222 H LEU 36 H LEU 36 -6.131 -0.909 4.131 223 HA LEU 36 HA LEU 36 -5.534 -1.914 6.797 224 HB2 LEU 36 HB2 LEU 36 -6.687 0.773 6.045 225 HB3 LEU 36 HB3 LEU 36 -6.545 0.160 7.681 226 HG LEU 36 HG LEU 36 -4.201 0.698 5.853 227 HD11 LEU 36 HD11 LEU 36 -5.210 2.324 8.178 228 HD12 LEU 36 HD12 LEU 36 -5.371 2.755 6.478 229 HD13 LEU 36 HD13 LEU 36 -3.772 2.646 7.207 230 HD21 LEU 36 HD21 LEU 36 -4.347 0.008 8.786 231 HD22 LEU 36 HD22 LEU 36 -2.885 0.454 7.914 232 HD23 LEU 36 HD23 LEU 36 -3.738 -1.029 7.496 233 H1 MAN 101 H1 MAN 101 0.948 -10.254 2.452 234 H2 MAN 101 H2 MAN 101 2.135 -7.889 0.952 235 H3 MAN 101 H3 MAN 101 3.688 -9.462 0.053 236 H4 MAN 101 H4 MAN 101 2.111 -11.033 -1.278 237 H5 MAN 101 H5 MAN 101 -0.366 -10.536 -0.900 238 H61 MAN 101 H61 MAN 101 1.202 -11.924 1.321 239 H62 MAN 101 H62 MAN 101 0.484 -12.668 -0.114 240 HO2 MAN 101 HO2 MAN 101 2.673 -8.205 3.200 241 HO3 MAN 101 HO3 MAN 101 3.678 -10.708 1.897 242 HO4 MAN 101 HO4 MAN 101 0.938 -9.220 -2.128 243 HO6 MAN 101 HO6 MAN 101 -1.590 -12.099 0.620 Start of MODEL 11 1 H1 THR 1 H1 THR 1 -1.920 -11.000 -3.772 2 H2 THR 1 H2 THR 1 -3.191 -12.139 -3.749 3 H3 THR 1 H3 THR 1 -2.170 -11.979 -2.416 4 HA THR 1 HA THR 1 -3.978 -9.864 -3.373 5 HB THR 1 HB THR 1 -4.278 -11.469 -0.843 6 HG1 THR 1 HG1 THR 1 -5.662 -12.185 -3.240 7 HG21 THR 1 HG21 THR 1 -6.255 -10.112 -2.678 8 HG22 THR 1 HG22 THR 1 -5.647 -9.472 -1.153 9 HG23 THR 1 HG23 THR 1 -6.640 -10.927 -1.163 10 H ALA 2 H ALA 2 -4.027 -8.104 -1.871 11 HA ALA 2 HA ALA 2 -1.483 -7.672 -0.580 12 HB1 ALA 2 HB1 ALA 2 -2.285 -5.395 -0.220 13 HB2 ALA 2 HB2 ALA 2 -3.882 -5.834 -0.814 14 HB3 ALA 2 HB3 ALA 2 -2.498 -5.850 -1.906 15 H SER 3 H SER 3 -1.194 -7.439 1.581 16 HA SER 3 HA SER 3 -3.254 -8.712 3.190 17 HB2 SER 3 HB2 SER 3 -1.333 -9.191 4.698 18 HB3 SER 3 HB3 SER 3 -1.133 -9.865 3.075 19 H HIS 4 H HIS 4 -3.291 -7.972 5.475 20 HA HIS 4 HA HIS 4 -3.858 -5.197 5.579 21 HB2 HIS 4 HB2 HIS 4 -4.971 -7.107 6.894 22 HB3 HIS 4 HB3 HIS 4 -3.552 -7.106 7.909 23 HD1 HIS 4 HD1 HIS 4 -5.809 -6.640 9.532 24 HD2 HIS 4 HD2 HIS 4 -4.255 -3.514 7.323 25 HE1 HIS 4 HE1 HIS 4 -6.674 -4.568 10.630 26 HE2 HIS 4 HE2 HIS 4 -5.915 -2.700 9.180 27 H TYR 5 H TYR 5 -2.478 -3.616 5.954 28 HA TYR 5 HA TYR 5 -0.819 -2.381 6.680 29 HB2 TYR 5 HB2 TYR 5 0.010 -4.773 8.312 30 HB3 TYR 5 HB3 TYR 5 1.019 -3.333 8.208 31 HD1 TYR 5 HD1 TYR 5 0.330 -1.259 9.177 32 HD2 TYR 5 HD2 TYR 5 -2.125 -4.707 9.522 33 HE1 TYR 5 HE1 TYR 5 -0.963 -0.144 10.919 34 HE2 TYR 5 HE2 TYR 5 -3.434 -3.590 11.287 35 HH TYR 5 HH TYR 5 -3.221 -0.277 11.853 36 H GLY 6 H GLY 6 -0.752 -4.472 4.457 37 HA2 GLY 6 HA2 GLY 6 2.079 -4.165 3.786 38 HA3 GLY 6 HA3 GLY 6 0.889 -5.192 2.976 39 H GLN 7 H GLN 7 2.621 -3.310 1.701 40 HA GLN 7 HA GLN 7 1.137 -0.996 0.993 41 HB2 GLN 7 HB2 GLN 7 3.628 -1.201 0.739 42 HB3 GLN 7 HB3 GLN 7 3.365 -2.359 -0.555 43 HG2 GLN 7 HG2 GLN 7 2.289 -0.609 -1.888 44 HG3 GLN 7 HG3 GLN 7 2.553 0.546 -0.579 45 HE21 GLN 7 HE21 GLN 7 3.929 1.915 -1.908 46 HE22 GLN 7 HE22 GLN 7 5.492 1.362 -2.304 47 H CYS 8 H CYS 8 -0.454 -0.809 -0.403 48 HA CYS 8 HA CYS 8 -1.240 -3.238 -1.891 49 HB2 CYS 8 HB2 CYS 8 -3.540 -2.348 -1.609 50 HB3 CYS 8 HB3 CYS 8 -2.709 -2.792 -0.112 51 H GLY 9 H GLY 9 0.076 -0.310 -2.599 52 HA2 GLY 9 HA2 GLY 9 -0.285 -0.344 -5.276 53 HA3 GLY 9 HA3 GLY 9 -1.824 0.253 -4.693 54 H GLY 10 H GLY 10 1.611 0.924 -4.525 55 HA2 GLY 10 HA2 GLY 10 0.881 3.767 -4.399 56 HA3 GLY 10 HA3 GLY 10 2.441 3.100 -3.892 57 H ILE 11 H ILE 11 2.279 5.170 -5.664 58 HA ILE 11 HA ILE 11 2.368 4.403 -8.369 59 HB ILE 11 HB ILE 11 3.916 6.620 -6.986 60 HG12 ILE 11 HG12 ILE 11 1.170 6.657 -8.281 61 HG13 ILE 11 HG13 ILE 11 1.529 6.794 -6.576 62 HG21 ILE 11 HG21 ILE 11 3.154 6.302 -9.903 63 HG22 ILE 11 HG22 ILE 11 4.779 6.131 -9.239 64 HG23 ILE 11 HG23 ILE 11 3.971 7.699 -9.203 65 HD11 ILE 11 HD11 ILE 11 1.008 8.972 -7.539 66 HD12 ILE 11 HD12 ILE 11 2.360 8.794 -8.660 67 HD13 ILE 11 HD13 ILE 11 2.664 8.909 -6.930 68 H GLY 12 H GLY 12 3.849 3.250 -9.460 69 HA2 GLY 12 HA2 GLY 12 6.013 2.543 -10.053 70 HA3 GLY 12 HA3 GLY 12 6.601 3.068 -8.478 71 H TYR 13 H TYR 13 4.030 1.586 -7.523 72 HA TYR 13 HA TYR 13 5.360 -0.989 -7.176 73 HB2 TYR 13 HB2 TYR 13 4.871 0.199 -5.117 74 HB3 TYR 13 HB3 TYR 13 3.198 0.407 -5.598 75 HD1 TYR 13 HD1 TYR 13 5.702 -2.261 -4.830 76 HD2 TYR 13 HD2 TYR 13 1.621 -1.079 -4.828 77 HE1 TYR 13 HE1 TYR 13 5.117 -4.289 -3.559 78 HE2 TYR 13 HE2 TYR 13 1.025 -3.095 -3.579 79 HH TYR 13 HH TYR 13 1.781 -5.139 -2.969 80 H SER 14 H SER 14 4.676 -2.530 -8.489 81 HA SER 14 HA SER 14 1.945 -2.454 -9.511 82 HB2 SER 14 HB2 SER 14 3.044 -3.897 -11.316 83 HB3 SER 14 HB3 SER 14 3.492 -2.187 -11.270 84 HG SER 14 HG SER 14 5.420 -2.933 -11.190 85 H GLY 15 H GLY 15 3.101 -3.661 -6.979 86 HA2 GLY 15 HA2 GLY 15 2.863 -6.520 -7.303 87 HA3 GLY 15 HA3 GLY 15 3.056 -5.648 -5.784 88 HA PRO 16 HA PRO 16 -1.217 -7.520 -5.695 89 HB2 PRO 16 HB2 PRO 16 -1.059 -7.371 -2.895 90 HB3 PRO 16 HB3 PRO 16 -0.769 -8.808 -3.873 91 HG2 PRO 16 HG2 PRO 16 1.206 -6.814 -2.807 92 HG3 PRO 16 HG3 PRO 16 1.344 -8.589 -2.885 93 HD2 PRO 16 HD2 PRO 16 2.626 -7.085 -4.566 94 HD3 PRO 16 HD3 PRO 16 1.775 -8.521 -5.172 95 H THR 17 H THR 17 -2.601 -5.909 -6.210 96 HA THR 17 HA THR 17 -2.666 -3.506 -4.561 97 HB THR 17 HB THR 17 -4.073 -2.650 -6.527 98 HG1 THR 17 HG1 THR 17 -4.410 -3.992 -8.080 99 HG21 THR 17 HG21 THR 17 -2.059 -2.148 -7.877 100 HG22 THR 17 HG22 THR 17 -1.167 -3.380 -6.976 101 HG23 THR 17 HG23 THR 17 -1.755 -1.940 -6.153 102 H VAL 18 H VAL 18 -4.455 -6.298 -5.455 103 HA VAL 18 HA VAL 18 -6.954 -5.251 -4.444 104 HB VAL 18 HB VAL 18 -6.252 -8.081 -5.288 105 HG11 VAL 18 HG11 VAL 18 -8.937 -6.795 -4.776 106 HG12 VAL 18 HG12 VAL 18 -8.155 -8.024 -3.779 107 HG13 VAL 18 HG13 VAL 18 -8.685 -8.421 -5.410 108 HG21 VAL 18 HG21 VAL 18 -7.451 -7.571 -7.361 109 HG22 VAL 18 HG22 VAL 18 -6.055 -6.513 -7.153 110 HG23 VAL 18 HG23 VAL 18 -7.678 -5.910 -6.819 111 H CYS 19 H CYS 19 -7.387 -5.254 -2.373 112 HA CYS 19 HA CYS 19 -5.693 -6.610 -0.501 113 HB2 CYS 19 HB2 CYS 19 -8.095 -4.839 -0.199 114 HB3 CYS 19 HB3 CYS 19 -7.303 -5.632 1.160 115 H ALA 20 H ALA 20 -6.545 -7.902 1.246 116 HA ALA 20 HA ALA 20 -8.151 -10.049 0.350 117 HB1 ALA 20 HB1 ALA 20 -7.162 -9.291 3.117 118 HB2 ALA 20 HB2 ALA 20 -6.372 -10.383 1.977 119 HB3 ALA 20 HB3 ALA 20 -7.916 -10.831 2.699 120 H SER 21 H SER 21 -10.165 -10.700 1.625 121 HA SER 21 HA SER 21 -12.040 -8.637 1.323 122 HB2 SER 21 HB2 SER 21 -12.366 -11.315 2.696 123 HB3 SER 21 HB3 SER 21 -13.637 -10.303 1.998 124 HG SER 21 HG SER 21 -12.028 -10.573 0.042 125 H GLY 22 H GLY 22 -12.401 -7.038 2.687 126 HA2 GLY 22 HA2 GLY 22 -13.246 -6.397 4.875 127 HA3 GLY 22 HA3 GLY 22 -12.124 -7.563 5.568 128 H THR 23 H THR 23 -10.132 -6.572 3.474 129 HA THR 23 HA THR 23 -9.289 -4.271 5.073 130 HB THR 23 HB THR 23 -6.985 -4.744 4.026 131 HG1 THR 23 HG1 THR 23 -8.433 -6.543 2.675 132 HG21 THR 23 HG21 THR 23 -6.500 -6.604 5.561 133 HG22 THR 23 HG22 THR 23 -8.235 -6.856 5.797 134 HG23 THR 23 HG23 THR 23 -7.476 -5.357 6.329 135 H THR 24 H THR 24 -8.500 -2.382 4.050 136 HA THR 24 HA THR 24 -9.355 -2.093 1.265 137 HB THR 24 HB THR 24 -10.062 0.263 1.940 138 HG1 THR 24 HG1 THR 24 -9.342 -0.744 4.430 139 HG21 THR 24 HG21 THR 24 -11.642 -2.057 3.066 140 HG22 THR 24 HG22 THR 24 -11.673 -1.519 1.391 141 HG23 THR 24 HG23 THR 24 -12.287 -0.466 2.665 142 H CYS 25 H CYS 25 -7.995 -0.978 -0.026 143 HA CYS 25 HA CYS 25 -5.379 -0.405 0.927 144 HB2 CYS 25 HB2 CYS 25 -5.888 -1.268 -1.382 145 HB3 CYS 25 HB3 CYS 25 -6.609 0.308 -1.725 146 H GLN 26 H GLN 26 -4.978 1.362 2.101 147 HA GLN 26 HA GLN 26 -6.420 3.760 1.392 148 HB2 GLN 26 HB2 GLN 26 -5.101 2.920 3.959 149 HB3 GLN 26 HB3 GLN 26 -5.844 4.493 3.702 150 HG2 GLN 26 HG2 GLN 26 -8.003 3.323 3.245 151 HG3 GLN 26 HG3 GLN 26 -7.210 1.808 3.648 152 HE21 GLN 26 HE21 GLN 26 -8.633 1.435 5.315 153 HE22 GLN 26 HE22 GLN 26 -8.517 2.289 6.811 154 H VAL 27 H VAL 27 -5.322 5.283 0.480 155 HA VAL 27 HA VAL 27 -2.509 4.942 -0.013 156 HB VAL 27 HB VAL 27 -4.383 7.169 -0.890 157 HG11 VAL 27 HG11 VAL 27 -2.712 7.616 -2.626 158 HG12 VAL 27 HG12 VAL 27 -1.664 6.392 -1.910 159 HG13 VAL 27 HG13 VAL 27 -2.062 7.851 -1.004 160 HG21 VAL 27 HG21 VAL 27 -5.137 5.007 -1.734 161 HG22 VAL 27 HG22 VAL 27 -3.524 4.685 -2.375 162 HG23 VAL 27 HG23 VAL 27 -4.489 6.001 -3.040 163 H LEU 28 H LEU 28 -1.236 5.461 1.639 164 HA LEU 28 HA LEU 28 -1.875 7.594 3.491 165 HB2 LEU 28 HB2 LEU 28 0.630 5.926 3.249 166 HB3 LEU 28 HB3 LEU 28 0.252 6.993 4.591 167 HG LEU 28 HG LEU 28 -1.094 4.388 3.865 168 HD11 LEU 28 HD11 LEU 28 0.488 5.234 6.278 169 HD12 LEU 28 HD12 LEU 28 1.046 4.179 4.986 170 HD13 LEU 28 HD13 LEU 28 -0.274 3.662 6.036 171 HD21 LEU 28 HD21 LEU 28 -2.795 5.939 4.669 172 HD22 LEU 28 HD22 LEU 28 -1.786 6.315 6.073 173 HD23 LEU 28 HD23 LEU 28 -2.440 4.688 5.865 174 H ASN 29 H ASN 29 0.466 6.891 0.999 175 HA ASN 29 HA ASN 29 1.001 9.719 0.625 176 HB2 ASN 29 HB2 ASN 29 3.079 7.488 0.759 177 HB3 ASN 29 HB3 ASN 29 3.375 9.106 0.131 178 HD21 ASN 29 HD21 ASN 29 2.911 7.179 2.984 179 HD22 ASN 29 HD22 ASN 29 3.383 8.398 4.105 180 HA PRO 30 HA PRO 30 0.194 8.429 -3.507 181 HB2 PRO 30 HB2 PRO 30 2.491 9.439 -4.824 182 HB3 PRO 30 HB3 PRO 30 0.875 10.134 -4.806 183 HG2 PRO 30 HG2 PRO 30 3.178 11.143 -3.540 184 HG3 PRO 30 HG3 PRO 30 1.521 11.734 -3.340 185 HD2 PRO 30 HD2 PRO 30 3.188 10.188 -1.543 186 HD3 PRO 30 HD3 PRO 30 1.669 10.994 -1.174 187 H TYR 31 H TYR 31 3.482 7.863 -2.424 188 HA TYR 31 HA TYR 31 3.624 5.686 -4.331 189 HB2 TYR 31 HB2 TYR 31 5.724 6.914 -2.552 190 HB3 TYR 31 HB3 TYR 31 6.017 5.486 -3.538 191 HD1 TYR 31 HD1 TYR 31 5.169 9.104 -3.694 192 HD2 TYR 31 HD2 TYR 31 6.454 5.679 -5.844 193 HE1 TYR 31 HE1 TYR 31 5.702 10.526 -5.634 194 HE2 TYR 31 HE2 TYR 31 6.990 7.078 -7.776 195 HH TYR 31 HH TYR 31 7.148 10.445 -7.602 196 H TYR 32 H TYR 32 3.349 6.257 -0.859 197 HA TYR 32 HA TYR 32 3.325 3.360 -0.564 198 HB2 TYR 32 HB2 TYR 32 4.909 4.525 0.951 199 HB3 TYR 32 HB3 TYR 32 3.542 5.345 1.705 200 HD1 TYR 32 HD1 TYR 32 2.368 4.306 3.446 201 HD2 TYR 32 HD2 TYR 32 4.935 1.976 1.002 202 HE1 TYR 32 HE1 TYR 32 2.021 2.384 4.938 203 HE2 TYR 32 HE2 TYR 32 4.614 0.040 2.480 204 HH TYR 32 HH TYR 32 3.989 -0.376 4.811 205 H SER 33 H SER 33 1.457 2.447 -0.642 206 HA SER 33 HA SER 33 -0.813 3.747 0.669 207 HB2 SER 33 HB2 SER 33 -0.821 1.872 -1.735 208 HB3 SER 33 HB3 SER 33 -2.244 2.610 -1.018 209 HG SER 33 HG SER 33 -1.153 3.619 -2.942 210 H GLN 34 H GLN 34 -1.788 2.435 2.224 211 HA GLN 34 HA GLN 34 -0.581 -0.222 2.506 212 HB2 GLN 34 HB2 GLN 34 0.340 1.380 4.131 213 HB3 GLN 34 HB3 GLN 34 -1.282 1.711 4.716 214 HG2 GLN 34 HG2 GLN 34 -1.512 -0.609 5.408 215 HG3 GLN 34 HG3 GLN 34 0.120 -0.942 4.830 216 HE21 GLN 34 HE21 GLN 34 1.865 -0.144 5.982 217 HE22 GLN 34 HE22 GLN 34 1.694 0.418 7.607 218 H CYS 35 H CYS 35 -1.951 -1.831 3.002 219 HA CYS 35 HA CYS 35 -4.751 -1.194 2.712 220 HB2 CYS 35 HB2 CYS 35 -3.614 -3.189 1.580 221 HB3 CYS 35 HB3 CYS 35 -3.634 -3.937 3.174 222 H LEU 36 H LEU 36 -6.082 -0.933 4.288 223 HA LEU 36 HA LEU 36 -5.467 -2.059 6.890 224 HB2 LEU 36 HB2 LEU 36 -6.695 0.629 6.260 225 HB3 LEU 36 HB3 LEU 36 -6.560 -0.063 7.862 226 HG LEU 36 HG LEU 36 -4.205 0.652 6.115 227 HD11 LEU 36 HD11 LEU 36 -5.407 2.645 6.826 228 HD12 LEU 36 HD12 LEU 36 -3.864 2.506 7.664 229 HD13 LEU 36 HD13 LEU 36 -5.360 2.087 8.499 230 HD21 LEU 36 HD21 LEU 36 -4.370 -0.227 8.997 231 HD22 LEU 36 HD22 LEU 36 -2.914 0.335 8.186 232 HD23 LEU 36 HD23 LEU 36 -3.692 -1.152 7.655 233 H1 MAN 101 H1 MAN 101 1.160 -9.562 4.626 234 H2 MAN 101 H2 MAN 101 2.361 -7.371 4.478 235 H3 MAN 101 H3 MAN 101 1.617 -6.759 2.205 236 H4 MAN 101 H4 MAN 101 3.519 -8.936 1.255 237 H5 MAN 101 H5 MAN 101 0.422 -8.816 1.164 238 H61 MAN 101 H61 MAN 101 0.677 -11.232 0.558 239 H62 MAN 101 H62 MAN 101 2.422 -10.980 0.323 240 HO2 MAN 101 HO2 MAN 101 3.593 -9.588 3.142 241 HO3 MAN 101 HO3 MAN 101 4.405 -7.201 2.501 242 HO4 MAN 101 HO4 MAN 101 2.615 -8.273 -0.755 243 HO6 MAN 101 HO6 MAN 101 0.240 -9.900 -1.134 Start of MODEL 12 1 H1 THR 1 H1 THR 1 -3.460 -11.944 -1.976 2 H2 THR 1 H2 THR 1 -2.610 -11.422 -3.327 3 H3 THR 1 H3 THR 1 -4.174 -12.067 -3.496 4 HA THR 1 HA THR 1 -4.229 -9.660 -3.619 5 HB THR 1 HB THR 1 -5.695 -9.309 -1.517 6 HG1 THR 1 HG1 THR 1 -6.304 -11.496 -0.686 7 HG21 THR 1 HG21 THR 1 -6.354 -11.576 -3.406 8 HG22 THR 1 HG22 THR 1 -6.634 -9.860 -3.715 9 HG23 THR 1 HG23 THR 1 -7.520 -10.683 -2.432 10 H ALA 2 H ALA 2 -4.173 -7.669 -2.157 11 HA ALA 2 HA ALA 2 -1.537 -7.365 -1.176 12 HB1 ALA 2 HB1 ALA 2 -2.162 -5.086 -0.673 13 HB2 ALA 2 HB2 ALA 2 -3.868 -5.466 -0.883 14 HB3 ALA 2 HB3 ALA 2 -2.767 -5.539 -2.264 15 H SER 3 H SER 3 -0.981 -6.636 0.943 16 HA SER 3 HA SER 3 -2.280 -8.351 2.882 17 HB2 SER 3 HB2 SER 3 -0.045 -8.049 4.010 18 HB3 SER 3 HB3 SER 3 -0.049 -8.938 2.478 19 H HIS 4 H HIS 4 -2.504 -7.687 5.023 20 HA HIS 4 HA HIS 4 -3.528 -5.034 5.361 21 HB2 HIS 4 HB2 HIS 4 -4.478 -7.091 6.431 22 HB3 HIS 4 HB3 HIS 4 -3.036 -7.232 7.403 23 HD1 HIS 4 HD1 HIS 4 -3.876 -6.807 9.678 24 HD2 HIS 4 HD2 HIS 4 -5.313 -4.011 6.983 25 HE1 HIS 4 HE1 HIS 4 -5.300 -5.243 11.037 26 HE2 HIS 4 HE2 HIS 4 -6.430 -3.837 9.298 27 H TYR 5 H TYR 5 -2.401 -3.326 5.921 28 HA TYR 5 HA TYR 5 -0.845 -1.939 6.700 29 HB2 TYR 5 HB2 TYR 5 0.159 -4.316 8.260 30 HB3 TYR 5 HB3 TYR 5 1.075 -2.815 8.226 31 HD1 TYR 5 HD1 TYR 5 -2.173 -4.306 9.184 32 HD2 TYR 5 HD2 TYR 5 0.445 -0.984 9.579 33 HE1 TYR 5 HE1 TYR 5 -3.556 -3.441 11.008 34 HE2 TYR 5 HE2 TYR 5 -0.940 -0.097 11.412 35 HH TYR 5 HH TYR 5 -3.224 -0.270 12.230 36 H GLY 6 H GLY 6 -0.476 -4.138 4.521 37 HA2 GLY 6 HA2 GLY 6 2.318 -3.587 3.900 38 HA3 GLY 6 HA3 GLY 6 1.233 -4.758 3.129 39 H GLN 7 H GLN 7 2.632 -3.230 1.437 40 HA GLN 7 HA GLN 7 1.132 -0.871 0.803 41 HB2 GLN 7 HB2 GLN 7 3.590 -1.071 0.382 42 HB3 GLN 7 HB3 GLN 7 3.241 -2.304 -0.820 43 HG2 GLN 7 HG2 GLN 7 2.016 -0.694 -2.155 44 HG3 GLN 7 HG3 GLN 7 2.305 0.567 -0.962 45 HE21 GLN 7 HE21 GLN 7 3.533 1.908 -2.409 46 HE22 GLN 7 HE22 GLN 7 5.055 1.378 -2.972 47 H CYS 8 H CYS 8 -0.522 -0.778 -0.528 48 HA CYS 8 HA CYS 8 -1.295 -3.252 -1.926 49 HB2 CYS 8 HB2 CYS 8 -3.588 -2.343 -1.797 50 HB3 CYS 8 HB3 CYS 8 -2.854 -2.774 -0.248 51 H GLY 9 H GLY 9 -0.902 0.222 -2.352 52 HA2 GLY 9 HA2 GLY 9 -1.008 -0.141 -5.206 53 HA3 GLY 9 HA3 GLY 9 -2.435 0.642 -4.549 54 H GLY 10 H GLY 10 1.046 0.851 -4.218 55 HA2 GLY 10 HA2 GLY 10 0.744 3.778 -4.206 56 HA3 GLY 10 HA3 GLY 10 2.109 2.903 -3.521 57 H ILE 11 H ILE 11 2.423 4.946 -5.385 58 HA ILE 11 HA ILE 11 2.737 3.961 -8.002 59 HB ILE 11 HB ILE 11 4.295 6.208 -6.685 60 HG12 ILE 11 HG12 ILE 11 1.733 6.344 -8.285 61 HG13 ILE 11 HG13 ILE 11 1.818 6.455 -6.528 62 HG21 ILE 11 HG21 ILE 11 4.569 7.040 -8.991 63 HG22 ILE 11 HG22 ILE 11 3.703 5.627 -9.601 64 HG23 ILE 11 HG23 ILE 11 5.264 5.427 -8.807 65 HD11 ILE 11 HD11 ILE 11 1.590 8.631 -7.568 66 HD12 ILE 11 HD12 ILE 11 3.076 8.363 -8.481 67 HD13 ILE 11 HD13 ILE 11 3.129 8.493 -6.723 68 H GLY 12 H GLY 12 4.093 2.500 -8.669 69 HA2 GLY 12 HA2 GLY 12 6.400 1.819 -9.039 70 HA3 GLY 12 HA3 GLY 12 6.730 2.244 -7.365 71 H TYR 13 H TYR 13 3.844 0.901 -7.127 72 HA TYR 13 HA TYR 13 4.983 -1.687 -6.421 73 HB2 TYR 13 HB2 TYR 13 3.740 -0.492 -4.695 74 HB3 TYR 13 HB3 TYR 13 2.346 -0.371 -5.747 75 HD1 TYR 13 HD1 TYR 13 0.648 -1.915 -5.509 76 HD2 TYR 13 HD2 TYR 13 4.522 -2.938 -4.108 77 HE1 TYR 13 HE1 TYR 13 -0.261 -3.953 -4.514 78 HE2 TYR 13 HE2 TYR 13 3.617 -4.995 -3.100 79 HH TYR 13 HH TYR 13 0.302 -5.963 -3.702 80 H SER 14 H SER 14 4.848 -3.252 -7.875 81 HA SER 14 HA SER 14 2.690 -3.188 -9.845 82 HB2 SER 14 HB2 SER 14 4.197 -4.798 -11.088 83 HB3 SER 14 HB3 SER 14 4.848 -3.173 -10.884 84 HG SER 14 HG SER 14 5.456 -5.445 -9.281 85 H GLY 15 H GLY 15 3.081 -4.420 -6.959 86 HA2 GLY 15 HA2 GLY 15 2.505 -7.215 -7.389 87 HA3 GLY 15 HA3 GLY 15 2.476 -6.378 -5.842 88 HA PRO 16 HA PRO 16 -1.914 -7.536 -7.014 89 HB2 PRO 16 HB2 PRO 16 -2.366 -8.275 -4.389 90 HB3 PRO 16 HB3 PRO 16 -1.884 -9.397 -5.670 91 HG2 PRO 16 HG2 PRO 16 -0.118 -7.918 -3.717 92 HG3 PRO 16 HG3 PRO 16 -0.108 -9.665 -4.094 93 HD2 PRO 16 HD2 PRO 16 1.655 -8.112 -5.150 94 HD3 PRO 16 HD3 PRO 16 0.789 -9.227 -6.230 95 H THR 17 H THR 17 -2.934 -5.594 -7.109 96 HA THR 17 HA THR 17 -2.722 -3.674 -4.944 97 HB THR 17 HB THR 17 -4.162 -2.277 -6.463 98 HG1 THR 17 HG1 THR 17 -3.572 -4.056 -8.531 99 HG21 THR 17 HG21 THR 17 -2.387 -1.869 -8.130 100 HG22 THR 17 HG22 THR 17 -1.619 -3.390 -7.677 101 HG23 THR 17 HG23 THR 17 -1.711 -2.069 -6.513 102 H VAL 18 H VAL 18 -4.845 -6.081 -6.047 103 HA VAL 18 HA VAL 18 -7.218 -5.126 -4.807 104 HB VAL 18 HB VAL 18 -6.470 -7.967 -5.592 105 HG11 VAL 18 HG11 VAL 18 -8.324 -7.940 -4.019 106 HG12 VAL 18 HG12 VAL 18 -8.887 -8.394 -5.628 107 HG13 VAL 18 HG13 VAL 18 -9.175 -6.765 -5.022 108 HG21 VAL 18 HG21 VAL 18 -7.750 -7.554 -7.636 109 HG22 VAL 18 HG22 VAL 18 -6.386 -6.439 -7.497 110 HG23 VAL 18 HG23 VAL 18 -8.018 -5.885 -7.134 111 H CYS 19 H CYS 19 -7.459 -4.995 -2.655 112 HA CYS 19 HA CYS 19 -5.661 -6.271 -0.868 113 HB2 CYS 19 HB2 CYS 19 -8.052 -4.526 -0.430 114 HB3 CYS 19 HB3 CYS 19 -7.293 -5.403 0.898 115 H ALA 20 H ALA 20 -6.252 -7.498 0.971 116 HA ALA 20 HA ALA 20 -7.607 -9.849 0.238 117 HB1 ALA 20 HB1 ALA 20 -6.985 -10.551 2.523 118 HB2 ALA 20 HB2 ALA 20 -6.453 -8.902 2.853 119 HB3 ALA 20 HB3 ALA 20 -5.624 -9.866 1.637 120 H SER 21 H SER 21 -9.308 -10.786 1.676 121 HA SER 21 HA SER 21 -11.597 -9.179 1.675 122 HB2 SER 21 HB2 SER 21 -11.107 -11.797 3.097 123 HB3 SER 21 HB3 SER 21 -12.681 -11.122 2.672 124 HG SER 21 HG SER 21 -11.509 -11.065 0.453 125 H GLY 22 H GLY 22 -11.965 -7.536 3.007 126 HA2 GLY 22 HA2 GLY 22 -12.803 -6.955 5.204 127 HA3 GLY 22 HA3 GLY 22 -11.529 -7.949 5.891 128 H THR 23 H THR 23 -9.956 -6.599 3.503 129 HA THR 23 HA THR 23 -9.242 -4.259 5.110 130 HB THR 23 HB THR 23 -6.912 -4.532 4.083 131 HG1 THR 23 HG1 THR 23 -8.166 -6.504 2.772 132 HG21 THR 23 HG21 THR 23 -6.259 -6.260 5.673 133 HG22 THR 23 HG22 THR 23 -7.943 -6.750 5.837 134 HG23 THR 23 HG23 THR 23 -7.429 -5.159 6.397 135 H THR 24 H THR 24 -8.505 -2.354 3.966 136 HA THR 24 HA THR 24 -9.392 -2.282 1.189 137 HB THR 24 HB THR 24 -10.252 0.071 1.612 138 HG1 THR 24 HG1 THR 24 -9.406 -0.494 4.154 139 HG21 THR 24 HG21 THR 24 -11.806 -1.775 1.288 140 HG22 THR 24 HG22 THR 24 -12.428 -0.682 2.529 141 HG23 THR 24 HG23 THR 24 -11.673 -2.206 2.991 142 H CYS 25 H CYS 25 -8.177 -1.011 -0.165 143 HA CYS 25 HA CYS 25 -5.525 -0.466 0.735 144 HB2 CYS 25 HB2 CYS 25 -6.078 -1.290 -1.565 145 HB3 CYS 25 HB3 CYS 25 -6.788 0.291 -1.897 146 H GLN 26 H GLN 26 -5.041 1.298 1.922 147 HA GLN 26 HA GLN 26 -6.530 3.709 1.324 148 HB2 GLN 26 HB2 GLN 26 -5.168 2.794 3.837 149 HB3 GLN 26 HB3 GLN 26 -5.921 4.366 3.662 150 HG2 GLN 26 HG2 GLN 26 -8.070 3.100 3.138 151 HG3 GLN 26 HG3 GLN 26 -7.219 1.653 3.662 152 HE21 GLN 26 HE21 GLN 26 -8.544 1.285 5.397 153 HE22 GLN 26 HE22 GLN 26 -8.553 2.306 6.789 154 H VAL 27 H VAL 27 -5.407 5.123 0.199 155 HA VAL 27 HA VAL 27 -2.572 5.014 -0.047 156 HB VAL 27 HB VAL 27 -4.557 7.159 -0.914 157 HG11 VAL 27 HG11 VAL 27 -2.770 8.010 -2.365 158 HG12 VAL 27 HG12 VAL 27 -1.655 6.836 -1.670 159 HG13 VAL 27 HG13 VAL 27 -2.325 8.118 -0.661 160 HG21 VAL 27 HG21 VAL 27 -3.171 4.996 -2.491 161 HG22 VAL 27 HG22 VAL 27 -4.218 6.238 -3.163 162 HG23 VAL 27 HG23 VAL 27 -4.882 5.023 -2.061 163 H LEU 28 H LEU 28 -1.277 5.578 1.562 164 HA LEU 28 HA LEU 28 -2.179 7.487 3.578 165 HB2 LEU 28 HB2 LEU 28 0.461 6.038 3.424 166 HB3 LEU 28 HB3 LEU 28 -0.175 6.897 4.802 167 HG LEU 28 HG LEU 28 -1.024 4.226 3.712 168 HD11 LEU 28 HD11 LEU 28 0.936 4.223 5.101 169 HD12 LEU 28 HD12 LEU 28 -0.409 3.478 5.965 170 HD13 LEU 28 HD13 LEU 28 0.088 5.125 6.351 171 HD21 LEU 28 HD21 LEU 28 -2.687 4.120 5.471 172 HD22 LEU 28 HD22 LEU 28 -3.057 5.456 4.367 173 HD23 LEU 28 HD23 LEU 28 -2.330 5.778 5.948 174 H ASN 29 H ASN 29 0.374 6.972 1.247 175 HA ASN 29 HA ASN 29 1.035 9.823 1.219 176 HB2 ASN 29 HB2 ASN 29 2.991 7.488 1.031 177 HB3 ASN 29 HB3 ASN 29 3.393 9.196 0.949 178 HD21 ASN 29 HD21 ASN 29 4.354 7.095 2.696 179 HD22 ASN 29 HD22 ASN 29 4.060 7.658 4.304 180 HA PRO 30 HA PRO 30 0.471 9.134 -3.102 181 HB2 PRO 30 HB2 PRO 30 2.924 9.957 -4.235 182 HB3 PRO 30 HB3 PRO 30 1.443 10.890 -4.122 183 HG2 PRO 30 HG2 PRO 30 3.870 11.252 -2.665 184 HG3 PRO 30 HG3 PRO 30 2.382 12.195 -2.532 185 HD2 PRO 30 HD2 PRO 30 3.488 10.275 -0.707 186 HD3 PRO 30 HD3 PRO 30 2.036 11.258 -0.486 187 H TYR 31 H TYR 31 3.658 7.976 -2.060 188 HA TYR 31 HA TYR 31 3.410 5.968 -4.159 189 HB2 TYR 31 HB2 TYR 31 5.853 6.673 -2.508 190 HB3 TYR 31 HB3 TYR 31 5.790 5.446 -3.752 191 HD1 TYR 31 HD1 TYR 31 6.520 6.005 -5.884 192 HD2 TYR 31 HD2 TYR 31 5.065 9.097 -3.356 193 HE1 TYR 31 HE1 TYR 31 7.084 7.679 -7.598 194 HE2 TYR 31 HE2 TYR 31 5.620 10.762 -5.054 195 HH TYR 31 HH TYR 31 7.023 11.021 -6.870 196 H TYR 32 H TYR 32 3.339 6.351 -0.724 197 HA TYR 32 HA TYR 32 3.276 3.443 -0.522 198 HB2 TYR 32 HB2 TYR 32 4.873 4.592 1.010 199 HB3 TYR 32 HB3 TYR 32 3.500 5.367 1.800 200 HD1 TYR 32 HD1 TYR 32 5.001 2.079 1.030 201 HD2 TYR 32 HD2 TYR 32 2.267 4.213 3.474 202 HE1 TYR 32 HE1 TYR 32 4.732 0.086 2.439 203 HE2 TYR 32 HE2 TYR 32 1.978 2.242 4.906 204 HH TYR 32 HH TYR 32 2.258 -0.295 4.656 205 H SER 33 H SER 33 1.392 2.550 -0.609 206 HA SER 33 HA SER 33 -0.849 3.844 0.758 207 HB2 SER 33 HB2 SER 33 -1.007 1.963 -1.628 208 HB3 SER 33 HB3 SER 33 -2.317 2.907 -0.915 209 HG SER 33 HG SER 33 -1.292 3.811 -2.868 210 H GLN 34 H GLN 34 -1.763 2.591 2.325 211 HA GLN 34 HA GLN 34 -0.548 -0.050 2.736 212 HB2 GLN 34 HB2 GLN 34 0.173 1.651 4.331 213 HB3 GLN 34 HB3 GLN 34 -1.494 2.027 4.702 214 HG2 GLN 34 HG2 GLN 34 -1.801 -0.150 5.702 215 HG3 GLN 34 HG3 GLN 34 -0.152 -0.598 5.248 216 HE21 GLN 34 HE21 GLN 34 1.592 0.202 6.468 217 HE22 GLN 34 HE22 GLN 34 1.345 1.049 7.931 218 H CYS 35 H CYS 35 -1.937 -1.713 3.061 219 HA CYS 35 HA CYS 35 -4.728 -1.095 2.656 220 HB2 CYS 35 HB2 CYS 35 -3.567 -3.057 1.517 221 HB3 CYS 35 HB3 CYS 35 -3.616 -3.866 3.071 222 H LEU 36 H LEU 36 -6.004 -0.682 4.196 223 HA LEU 36 HA LEU 36 -5.663 -1.957 6.784 224 HB2 LEU 36 HB2 LEU 36 -6.498 0.883 6.182 225 HB3 LEU 36 HB3 LEU 36 -6.530 0.148 7.769 226 HG LEU 36 HG LEU 36 -4.021 0.612 6.159 227 HD11 LEU 36 HD11 LEU 36 -3.591 2.438 7.735 228 HD12 LEU 36 HD12 LEU 36 -5.175 2.183 8.465 229 HD13 LEU 36 HD13 LEU 36 -5.051 2.725 6.788 230 HD21 LEU 36 HD21 LEU 36 -4.464 -0.219 9.030 231 HD22 LEU 36 HD22 LEU 36 -2.904 0.161 8.305 232 HD23 LEU 36 HD23 LEU 36 -3.821 -1.233 7.737 233 H1 MAN 101 H1 MAN 101 2.305 -7.839 3.434 234 H2 MAN 101 H2 MAN 101 2.915 -5.499 2.669 235 H3 MAN 101 H3 MAN 101 1.884 -5.572 0.388 236 H4 MAN 101 H4 MAN 101 4.058 -7.629 -0.030 237 H5 MAN 101 H5 MAN 101 1.018 -7.809 0.005 238 H61 MAN 101 H61 MAN 101 1.893 -9.241 -1.763 239 H62 MAN 101 H62 MAN 101 1.284 -10.204 -0.403 240 HO2 MAN 101 HO2 MAN 101 4.941 -6.115 1.914 241 HO3 MAN 101 HO3 MAN 101 3.829 -4.952 -0.735 242 HO4 MAN 101 HO4 MAN 101 2.180 -6.488 -1.927 243 HO6 MAN 101 HO6 MAN 101 3.364 -10.629 0.257 Start of MODEL 13 1 H1 THR 1 H1 THR 1 -3.730 -11.622 -4.253 2 H2 THR 1 H2 THR 1 -3.011 -11.674 -2.753 3 H3 THR 1 H3 THR 1 -2.232 -10.831 -3.988 4 HA THR 1 HA THR 1 -4.196 -9.307 -3.901 5 HB THR 1 HB THR 1 -5.396 -9.613 -1.618 6 HG1 THR 1 HG1 THR 1 -4.970 -11.472 -0.606 7 HG21 THR 1 HG21 THR 1 -5.908 -11.547 -3.901 8 HG22 THR 1 HG22 THR 1 -6.507 -9.892 -3.805 9 HG23 THR 1 HG23 THR 1 -7.068 -11.103 -2.650 10 H ALA 2 H ALA 2 -4.209 -7.574 -2.232 11 HA ALA 2 HA ALA 2 -1.575 -7.237 -1.119 12 HB1 ALA 2 HB1 ALA 2 -2.591 -5.414 -2.344 13 HB2 ALA 2 HB2 ALA 2 -2.328 -4.950 -0.658 14 HB3 ALA 2 HB3 ALA 2 -3.949 -5.371 -1.217 15 H SER 3 H SER 3 -1.166 -6.874 1.027 16 HA SER 3 HA SER 3 -3.041 -8.252 2.787 17 HB2 SER 3 HB2 SER 3 -0.916 -8.695 4.068 18 HB3 SER 3 HB3 SER 3 -1.047 -9.449 2.471 19 H HIS 4 H HIS 4 -3.195 -7.633 4.940 20 HA HIS 4 HA HIS 4 -3.657 -4.938 5.505 21 HB2 HIS 4 HB2 HIS 4 -4.658 -6.993 6.619 22 HB3 HIS 4 HB3 HIS 4 -3.161 -7.165 7.497 23 HD1 HIS 4 HD1 HIS 4 -4.137 -6.765 9.819 24 HD2 HIS 4 HD2 HIS 4 -5.068 -3.722 7.142 25 HE1 HIS 4 HE1 HIS 4 -5.257 -4.993 11.181 26 HE2 HIS 4 HE2 HIS 4 -6.005 -3.271 9.522 27 H TYR 5 H TYR 5 -2.344 -3.354 5.993 28 HA TYR 5 HA TYR 5 -0.644 -2.103 6.645 29 HB2 TYR 5 HB2 TYR 5 0.089 -4.481 8.331 30 HB3 TYR 5 HB3 TYR 5 1.161 -3.096 8.216 31 HD1 TYR 5 HD1 TYR 5 0.803 -1.188 9.526 32 HD2 TYR 5 HD2 TYR 5 -2.298 -4.066 9.142 33 HE1 TYR 5 HE1 TYR 5 -0.479 -0.030 11.281 34 HE2 TYR 5 HE2 TYR 5 -3.582 -2.915 10.887 35 HH TYR 5 HH TYR 5 -3.184 -1.476 12.736 36 H GLY 6 H GLY 6 -0.470 -4.223 4.431 37 HA2 GLY 6 HA2 GLY 6 2.371 -3.786 3.886 38 HA3 GLY 6 HA3 GLY 6 1.327 -4.962 3.077 39 H GLN 7 H GLN 7 2.815 -3.185 1.596 40 HA GLN 7 HA GLN 7 1.282 -0.912 0.878 41 HB2 GLN 7 HB2 GLN 7 3.737 -1.134 0.460 42 HB3 GLN 7 HB3 GLN 7 3.375 -2.378 -0.743 43 HG2 GLN 7 HG2 GLN 7 2.258 -0.780 -2.120 44 HG3 GLN 7 HG3 GLN 7 2.428 0.493 -0.917 45 HE21 GLN 7 HE21 GLN 7 3.713 1.869 -2.267 46 HE22 GLN 7 HE22 GLN 7 5.295 1.421 -2.685 47 H CYS 8 H CYS 8 -0.399 -0.812 -0.403 48 HA CYS 8 HA CYS 8 -1.223 -3.272 -1.779 49 HB2 CYS 8 HB2 CYS 8 -3.484 -2.290 -1.704 50 HB3 CYS 8 HB3 CYS 8 -2.786 -2.639 -0.120 51 H GLY 9 H GLY 9 -0.795 0.200 -2.290 52 HA2 GLY 9 HA2 GLY 9 -0.734 -0.215 -5.119 53 HA3 GLY 9 HA3 GLY 9 -2.264 0.463 -4.578 54 H GLY 10 H GLY 10 1.159 0.968 -4.027 55 HA2 GLY 10 HA2 GLY 10 0.640 3.851 -4.217 56 HA3 GLY 10 HA3 GLY 10 2.038 3.127 -3.415 57 H ILE 11 H ILE 11 2.246 5.064 -5.482 58 HA ILE 11 HA ILE 11 2.707 3.899 -8.002 59 HB ILE 11 HB ILE 11 4.187 6.280 -6.840 60 HG12 ILE 11 HG12 ILE 11 1.614 6.255 -8.447 61 HG13 ILE 11 HG13 ILE 11 1.712 6.540 -6.715 62 HG21 ILE 11 HG21 ILE 11 4.462 6.932 -9.213 63 HG22 ILE 11 HG22 ILE 11 3.640 5.446 -9.699 64 HG23 ILE 11 HG23 ILE 11 5.192 5.358 -8.879 65 HD11 ILE 11 HD11 ILE 11 3.064 8.542 -7.136 66 HD12 ILE 11 HD12 ILE 11 1.478 8.625 -7.890 67 HD13 ILE 11 HD13 ILE 11 2.900 8.268 -8.874 68 H GLY 12 H GLY 12 4.109 2.396 -8.498 69 HA2 GLY 12 HA2 GLY 12 6.460 1.818 -8.743 70 HA3 GLY 12 HA3 GLY 12 6.688 2.321 -7.074 71 H TYR 13 H TYR 13 3.883 0.906 -6.757 72 HA TYR 13 HA TYR 13 5.098 -1.638 -6.077 73 HB2 TYR 13 HB2 TYR 13 3.712 -0.518 -4.372 74 HB3 TYR 13 HB3 TYR 13 2.335 -0.556 -5.454 75 HD1 TYR 13 HD1 TYR 13 0.767 -2.219 -5.099 76 HD2 TYR 13 HD2 TYR 13 4.781 -2.957 -3.904 77 HE1 TYR 13 HE1 TYR 13 0.074 -4.365 -4.131 78 HE2 TYR 13 HE2 TYR 13 4.094 -5.115 -2.923 79 HH TYR 13 HH TYR 13 0.910 -6.412 -3.465 80 H SER 14 H SER 14 5.171 -3.076 -7.628 81 HA SER 14 HA SER 14 3.193 -3.060 -9.743 82 HB2 SER 14 HB2 SER 14 4.799 -4.710 -10.789 83 HB3 SER 14 HB3 SER 14 5.451 -3.103 -10.489 84 HG SER 14 HG SER 14 6.842 -3.910 -9.222 85 H GLY 15 H GLY 15 3.200 -4.324 -6.842 86 HA2 GLY 15 HA2 GLY 15 2.486 -7.078 -7.443 87 HA3 GLY 15 HA3 GLY 15 2.491 -6.341 -5.844 88 HA PRO 16 HA PRO 16 -1.962 -7.120 -7.301 89 HB2 PRO 16 HB2 PRO 16 -2.535 -8.115 -4.789 90 HB3 PRO 16 HB3 PRO 16 -2.064 -9.112 -6.175 91 HG2 PRO 16 HG2 PRO 16 -0.302 -7.922 -4.037 92 HG3 PRO 16 HG3 PRO 16 -0.372 -9.632 -4.555 93 HD2 PRO 16 HD2 PRO 16 1.516 -8.142 -5.457 94 HD3 PRO 16 HD3 PRO 16 0.565 -9.045 -6.661 95 H THR 17 H THR 17 -3.139 -5.303 -7.130 96 HA THR 17 HA THR 17 -2.730 -3.469 -4.933 97 HB THR 17 HB THR 17 -4.255 -2.037 -6.365 98 HG1 THR 17 HG1 THR 17 -5.230 -3.151 -7.813 99 HG21 THR 17 HG21 THR 17 -1.691 -3.076 -7.591 100 HG22 THR 17 HG22 THR 17 -1.810 -1.788 -6.394 101 HG23 THR 17 HG23 THR 17 -2.477 -1.554 -8.011 102 H VAL 18 H VAL 18 -5.003 -5.857 -5.868 103 HA VAL 18 HA VAL 18 -7.170 -4.668 -4.350 104 HB VAL 18 HB VAL 18 -7.017 -7.426 -5.620 105 HG11 VAL 18 HG11 VAL 18 -9.468 -7.464 -5.366 106 HG12 VAL 18 HG12 VAL 18 -9.397 -5.928 -4.505 107 HG13 VAL 18 HG13 VAL 18 -8.644 -7.363 -3.809 108 HG21 VAL 18 HG21 VAL 18 -8.441 -6.495 -7.377 109 HG22 VAL 18 HG22 VAL 18 -6.905 -5.629 -7.283 110 HG23 VAL 18 HG23 VAL 18 -8.367 -4.914 -6.604 111 H CYS 19 H CYS 19 -7.539 -5.004 -2.287 112 HA CYS 19 HA CYS 19 -5.679 -6.495 -0.712 113 HB2 CYS 19 HB2 CYS 19 -8.096 -4.857 -0.031 114 HB3 CYS 19 HB3 CYS 19 -7.149 -5.738 1.167 115 H ALA 20 H ALA 20 -6.510 -7.808 1.120 116 HA ALA 20 HA ALA 20 -8.074 -9.992 0.117 117 HB1 ALA 20 HB1 ALA 20 -6.742 -9.475 2.761 118 HB2 ALA 20 HB2 ALA 20 -6.071 -10.397 1.419 119 HB3 ALA 20 HB3 ALA 20 -7.482 -11.008 2.297 120 H SER 21 H SER 21 -9.640 -10.955 1.894 121 HA SER 21 HA SER 21 -11.882 -9.325 1.994 122 HB2 SER 21 HB2 SER 21 -11.274 -11.803 3.599 123 HB3 SER 21 HB3 SER 21 -12.867 -11.165 3.181 124 HG SER 21 HG SER 21 -12.430 -11.529 1.038 125 H GLY 22 H GLY 22 -12.278 -7.681 3.327 126 HA2 GLY 22 HA2 GLY 22 -12.802 -6.864 5.467 127 HA3 GLY 22 HA3 GLY 22 -11.636 -7.983 6.155 128 H THR 23 H THR 23 -10.286 -6.453 3.509 129 HA THR 23 HA THR 23 -9.220 -4.294 5.171 130 HB THR 23 HB THR 23 -6.952 -4.835 3.935 131 HG1 THR 23 HG1 THR 23 -8.392 -6.724 2.901 132 HG21 THR 23 HG21 THR 23 -7.277 -4.998 6.358 133 HG22 THR 23 HG22 THR 23 -6.319 -6.352 5.753 134 HG23 THR 23 HG23 THR 23 -8.017 -6.588 6.159 135 H THR 24 H THR 24 -8.410 -2.433 4.006 136 HA THR 24 HA THR 24 -9.300 -2.304 1.206 137 HB THR 24 HB THR 24 -10.000 0.079 1.698 138 HG1 THR 24 HG1 THR 24 -9.184 -0.650 4.213 139 HG21 THR 24 HG21 THR 24 -12.214 -0.575 2.541 140 HG22 THR 24 HG22 THR 24 -11.563 -2.152 3.002 141 HG23 THR 24 HG23 THR 24 -11.636 -1.694 1.305 142 H CYS 25 H CYS 25 -8.105 -0.965 -0.147 143 HA CYS 25 HA CYS 25 -5.425 -0.467 0.764 144 HB2 CYS 25 HB2 CYS 25 -5.874 -1.379 -1.500 145 HB3 CYS 25 HB3 CYS 25 -6.706 0.118 -1.912 146 H GLN 26 H GLN 26 -5.069 1.290 1.978 147 HA GLN 26 HA GLN 26 -6.505 3.684 1.248 148 HB2 GLN 26 HB2 GLN 26 -5.299 2.809 3.860 149 HB3 GLN 26 HB3 GLN 26 -5.960 4.416 3.572 150 HG2 GLN 26 HG2 GLN 26 -8.144 3.416 3.070 151 HG3 GLN 26 HG3 GLN 26 -7.475 1.821 3.362 152 HE21 GLN 26 HE21 GLN 26 -8.924 1.391 4.973 153 HE22 GLN 26 HE22 GLN 26 -8.845 2.120 6.528 154 H VAL 27 H VAL 27 -5.415 5.084 0.216 155 HA VAL 27 HA VAL 27 -2.576 4.951 -0.105 156 HB VAL 27 HB VAL 27 -4.549 7.070 -1.030 157 HG11 VAL 27 HG11 VAL 27 -1.719 6.537 -1.920 158 HG12 VAL 27 HG12 VAL 27 -2.263 7.919 -0.980 159 HG13 VAL 27 HG13 VAL 27 -2.809 7.717 -2.648 160 HG21 VAL 27 HG21 VAL 27 -4.422 5.959 -3.215 161 HG22 VAL 27 HG22 VAL 27 -5.072 4.881 -1.976 162 HG23 VAL 27 HG23 VAL 27 -3.399 4.709 -2.513 163 H LEU 28 H LEU 28 -1.322 5.594 1.508 164 HA LEU 28 HA LEU 28 -2.181 7.658 3.368 165 HB2 LEU 28 HB2 LEU 28 0.456 6.173 3.239 166 HB3 LEU 28 HB3 LEU 28 -0.117 7.152 4.571 167 HG LEU 28 HG LEU 28 -1.233 4.488 3.689 168 HD11 LEU 28 HD11 LEU 28 -0.439 3.725 5.871 169 HD12 LEU 28 HD12 LEU 28 0.253 5.320 6.164 170 HD13 LEU 28 HD13 LEU 28 0.876 4.315 4.858 171 HD21 LEU 28 HD21 LEU 28 -2.066 6.278 5.948 172 HD22 LEU 28 HD22 LEU 28 -2.619 4.622 5.674 173 HD23 LEU 28 HD23 LEU 28 -3.032 5.897 4.512 174 H ASN 29 H ASN 29 0.416 7.019 1.101 175 HA ASN 29 HA ASN 29 0.797 9.879 0.689 176 HB2 ASN 29 HB2 ASN 29 2.961 7.737 0.951 177 HB3 ASN 29 HB3 ASN 29 3.209 9.390 0.387 178 HD21 ASN 29 HD21 ASN 29 4.316 7.914 2.688 179 HD22 ASN 29 HD22 ASN 29 3.973 8.890 4.056 180 HA PRO 30 HA PRO 30 0.278 8.684 -3.508 181 HB2 PRO 30 HB2 PRO 30 2.660 9.633 -4.703 182 HB3 PRO 30 HB3 PRO 30 1.069 10.382 -4.735 183 HG2 PRO 30 HG2 PRO 30 3.376 11.244 -3.322 184 HG3 PRO 30 HG3 PRO 30 1.761 11.962 -3.265 185 HD2 PRO 30 HD2 PRO 30 3.148 10.401 -1.296 186 HD3 PRO 30 HD3 PRO 30 1.595 11.207 -1.113 187 H TYR 31 H TYR 31 3.549 7.981 -2.354 188 HA TYR 31 HA TYR 31 3.581 5.802 -4.276 189 HB2 TYR 31 HB2 TYR 31 5.822 6.864 -2.532 190 HB3 TYR 31 HB3 TYR 31 5.968 5.513 -3.637 191 HD1 TYR 31 HD1 TYR 31 6.527 5.872 -5.877 192 HD2 TYR 31 HD2 TYR 31 5.156 9.169 -3.573 193 HE1 TYR 31 HE1 TYR 31 7.085 7.387 -7.718 194 HE2 TYR 31 HE2 TYR 31 5.707 10.691 -5.408 195 HH TYR 31 HH TYR 31 6.484 9.544 -8.535 196 H TYR 32 H TYR 32 3.304 6.404 -0.845 197 HA TYR 32 HA TYR 32 3.268 3.502 -0.524 198 HB2 TYR 32 HB2 TYR 32 4.833 4.667 1.000 199 HB3 TYR 32 HB3 TYR 32 3.452 5.490 1.734 200 HD1 TYR 32 HD1 TYR 32 4.692 2.086 0.927 201 HD2 TYR 32 HD2 TYR 32 2.353 4.477 3.548 202 HE1 TYR 32 HE1 TYR 32 4.312 0.134 2.343 203 HE2 TYR 32 HE2 TYR 32 1.962 2.526 4.989 204 HH TYR 32 HH TYR 32 3.736 -0.397 4.548 205 H SER 33 H SER 33 1.432 2.583 -0.643 206 HA SER 33 HA SER 33 -0.840 3.830 0.721 207 HB2 SER 33 HB2 SER 33 -0.956 2.004 -1.711 208 HB3 SER 33 HB3 SER 33 -2.313 2.824 -0.934 209 HG SER 33 HG SER 33 -1.243 3.800 -2.907 210 H GLN 34 H GLN 34 -1.823 2.502 2.205 211 HA GLN 34 HA GLN 34 -0.546 -0.113 2.563 212 HB2 GLN 34 HB2 GLN 34 0.247 1.544 4.173 213 HB3 GLN 34 HB3 GLN 34 -1.405 1.905 4.632 214 HG2 GLN 34 HG2 GLN 34 -1.676 -0.280 5.572 215 HG3 GLN 34 HG3 GLN 34 -0.085 -0.762 4.985 216 HE21 GLN 34 HE21 GLN 34 1.731 0.048 5.980 217 HE22 GLN 34 HE22 GLN 34 1.691 0.750 7.551 218 H CYS 35 H CYS 35 -1.899 -1.790 3.004 219 HA CYS 35 HA CYS 35 -4.703 -1.229 2.647 220 HB2 CYS 35 HB2 CYS 35 -3.522 -3.282 1.612 221 HB3 CYS 35 HB3 CYS 35 -3.562 -3.936 3.244 222 H LEU 36 H LEU 36 -5.948 -0.754 4.223 223 HA LEU 36 HA LEU 36 -5.395 -1.813 6.871 224 HB2 LEU 36 HB2 LEU 36 -6.501 0.889 6.108 225 HB3 LEU 36 HB3 LEU 36 -6.437 0.274 7.746 226 HG LEU 36 HG LEU 36 -4.042 0.839 5.999 227 HD11 LEU 36 HD11 LEU 36 -3.613 2.676 7.559 228 HD12 LEU 36 HD12 LEU 36 -5.122 2.314 8.396 229 HD13 LEU 36 HD13 LEU 36 -5.155 2.881 6.725 230 HD21 LEU 36 HD21 LEU 36 -4.215 -0.041 8.879 231 HD22 LEU 36 HD22 LEU 36 -2.748 0.464 8.050 232 HD23 LEU 36 HD23 LEU 36 -3.591 -0.989 7.525 233 H1 MAN 101 H1 MAN 101 1.544 -9.185 3.377 234 H2 MAN 101 H2 MAN 101 2.560 -6.858 2.624 235 H3 MAN 101 H3 MAN 101 3.130 -6.550 0.456 236 H4 MAN 101 H4 MAN 101 1.622 -7.690 -1.272 237 H5 MAN 101 H5 MAN 101 -0.358 -8.877 0.211 238 H61 MAN 101 H61 MAN 101 0.539 -9.741 -1.890 239 H62 MAN 101 H62 MAN 101 0.323 -11.021 -0.689 240 HO2 MAN 101 HO2 MAN 101 3.701 -9.372 1.953 241 HO3 MAN 101 HO3 MAN 101 4.520 -8.265 0.648 242 HO4 MAN 101 HO4 MAN 101 0.935 -5.824 -0.242 243 HO6 MAN 101 HO6 MAN 101 2.822 -9.901 -0.498 Start of MODEL 14 1 H1 THR 1 H1 THR 1 -4.075 -12.074 -3.830 2 H2 THR 1 H2 THR 1 -3.354 -12.122 -2.294 3 H3 THR 1 H3 THR 1 -2.547 -11.384 -3.581 4 HA THR 1 HA THR 1 -4.213 -9.686 -3.630 5 HB THR 1 HB THR 1 -5.810 -9.724 -1.610 6 HG1 THR 1 HG1 THR 1 -6.222 -11.907 -0.838 7 HG21 THR 1 HG21 THR 1 -6.586 -10.130 -3.915 8 HG22 THR 1 HG22 THR 1 -7.453 -11.154 -2.769 9 HG23 THR 1 HG23 THR 1 -6.163 -11.835 -3.758 10 H ALA 2 H ALA 2 -4.061 -7.858 -2.086 11 HA ALA 2 HA ALA 2 -1.518 -7.870 -0.809 12 HB1 ALA 2 HB1 ALA 2 -2.355 -5.874 -1.947 13 HB2 ALA 2 HB2 ALA 2 -1.991 -5.533 -0.259 14 HB3 ALA 2 HB3 ALA 2 -3.666 -5.735 -0.774 15 H SER 3 H SER 3 -1.033 -7.736 1.354 16 HA SER 3 HA SER 3 -3.005 -8.920 3.104 17 HB2 SER 3 HB2 SER 3 -0.992 -9.242 4.526 18 HB3 SER 3 HB3 SER 3 -0.827 -9.939 2.907 19 H HIS 4 H HIS 4 -3.109 -8.102 5.333 20 HA HIS 4 HA HIS 4 -3.690 -5.323 5.429 21 HB2 HIS 4 HB2 HIS 4 -4.807 -7.150 6.797 22 HB3 HIS 4 HB3 HIS 4 -3.332 -7.270 7.725 23 HD1 HIS 4 HD1 HIS 4 -4.404 -6.575 9.923 24 HD2 HIS 4 HD2 HIS 4 -4.933 -3.789 6.901 25 HE1 HIS 4 HE1 HIS 4 -5.454 -4.584 11.030 26 HE2 HIS 4 HE2 HIS 4 -6.027 -3.052 9.140 27 H TYR 5 H TYR 5 -2.330 -3.707 5.840 28 HA TYR 5 HA TYR 5 -0.637 -2.483 6.546 29 HB2 TYR 5 HB2 TYR 5 0.230 -4.918 8.096 30 HB3 TYR 5 HB3 TYR 5 1.253 -3.490 7.993 31 HD1 TYR 5 HD1 TYR 5 0.595 -1.416 9.052 32 HD2 TYR 5 HD2 TYR 5 -1.822 -4.897 9.398 33 HE1 TYR 5 HE1 TYR 5 -0.606 -0.381 10.916 34 HE2 TYR 5 HE2 TYR 5 -3.029 -3.862 11.278 35 HH TYR 5 HH TYR 5 -2.723 -0.553 11.998 36 H GLY 6 H GLY 6 -0.575 -4.631 4.281 37 HA2 GLY 6 HA2 GLY 6 2.233 -4.223 3.573 38 HA3 GLY 6 HA3 GLY 6 1.079 -5.255 2.731 39 H GLN 7 H GLN 7 2.712 -3.326 1.434 40 HA GLN 7 HA GLN 7 1.154 -0.999 0.872 41 HB2 GLN 7 HB2 GLN 7 3.607 -1.036 0.494 42 HB3 GLN 7 HB3 GLN 7 3.385 -2.287 -0.737 43 HG2 GLN 7 HG2 GLN 7 2.241 -0.738 -2.146 44 HG3 GLN 7 HG3 GLN 7 2.279 0.532 -0.933 45 HE21 GLN 7 HE21 GLN 7 3.589 2.002 -2.207 46 HE22 GLN 7 HE22 GLN 7 5.201 1.622 -2.568 47 H CYS 8 H CYS 8 -0.505 -0.876 -0.426 48 HA CYS 8 HA CYS 8 -1.240 -3.293 -1.914 49 HB2 CYS 8 HB2 CYS 8 -3.501 -2.211 -1.919 50 HB3 CYS 8 HB3 CYS 8 -2.883 -2.744 -0.354 51 H GLY 9 H GLY 9 -0.946 0.222 -2.340 52 HA2 GLY 9 HA2 GLY 9 -0.892 -0.197 -5.204 53 HA3 GLY 9 HA3 GLY 9 -2.355 0.572 -4.589 54 H GLY 10 H GLY 10 1.111 0.850 -4.226 55 HA2 GLY 10 HA2 GLY 10 0.717 3.753 -4.231 56 HA3 GLY 10 HA3 GLY 10 2.118 2.927 -3.555 57 H ILE 11 H ILE 11 2.165 5.012 -5.525 58 HA ILE 11 HA ILE 11 2.585 4.003 -8.109 59 HB ILE 11 HB ILE 11 3.963 6.384 -6.820 60 HG12 ILE 11 HG12 ILE 11 1.395 6.324 -8.420 61 HG13 ILE 11 HG13 ILE 11 1.476 6.492 -6.667 62 HG21 ILE 11 HG21 ILE 11 4.188 7.215 -9.123 63 HG22 ILE 11 HG22 ILE 11 3.434 5.737 -9.725 64 HG23 ILE 11 HG23 ILE 11 5.002 5.662 -8.920 65 HD11 ILE 11 HD11 ILE 11 2.604 8.427 -8.682 66 HD12 ILE 11 HD12 ILE 11 2.650 8.611 -6.927 67 HD13 ILE 11 HD13 ILE 11 1.104 8.627 -7.777 68 H GLY 12 H GLY 12 4.098 2.657 -8.805 69 HA2 GLY 12 HA2 GLY 12 6.398 2.131 -9.117 70 HA3 GLY 12 HA3 GLY 12 6.700 2.615 -7.447 71 H TYR 13 H TYR 13 3.950 1.168 -7.066 72 HA TYR 13 HA TYR 13 5.184 -1.423 -6.556 73 HB2 TYR 13 HB2 TYR 13 4.202 -0.262 -4.618 74 HB3 TYR 13 HB3 TYR 13 2.655 -0.190 -5.448 75 HD1 TYR 13 HD1 TYR 13 5.174 -2.577 -4.130 76 HD2 TYR 13 HD2 TYR 13 1.111 -1.919 -5.184 77 HE1 TYR 13 HE1 TYR 13 4.572 -4.723 -3.122 78 HE2 TYR 13 HE2 TYR 13 0.500 -4.073 -4.187 79 HH TYR 13 HH TYR 13 1.340 -6.023 -3.467 80 H SER 14 H SER 14 4.792 -2.932 -8.004 81 HA SER 14 HA SER 14 2.286 -2.813 -9.493 82 HB2 SER 14 HB2 SER 14 3.620 -4.106 -11.233 83 HB3 SER 14 HB3 SER 14 4.096 -2.429 -10.979 84 HG SER 14 HG SER 14 5.459 -4.723 -10.592 85 H GLY 15 H GLY 15 3.135 -4.177 -6.892 86 HA2 GLY 15 HA2 GLY 15 2.848 -7.017 -7.469 87 HA3 GLY 15 HA3 GLY 15 2.944 -6.282 -5.865 88 HA PRO 16 HA PRO 16 -1.431 -7.825 -6.339 89 HB2 PRO 16 HB2 PRO 16 -1.486 -8.138 -3.554 90 HB3 PRO 16 HB3 PRO 16 -1.182 -9.431 -4.718 91 HG2 PRO 16 HG2 PRO 16 0.796 -7.725 -3.235 92 HG3 PRO 16 HG3 PRO 16 0.838 -9.490 -3.510 93 HD2 PRO 16 HD2 PRO 16 2.352 -7.901 -4.904 94 HD3 PRO 16 HD3 PRO 16 1.447 -9.172 -5.754 95 H THR 17 H THR 17 -2.560 -5.976 -6.697 96 HA THR 17 HA THR 17 -2.353 -3.750 -4.859 97 HB THR 17 HB THR 17 -3.806 -2.705 -6.693 98 HG1 THR 17 HG1 THR 17 -4.168 -3.877 -8.437 99 HG21 THR 17 HG21 THR 17 -1.030 -3.695 -7.392 100 HG22 THR 17 HG22 THR 17 -1.387 -2.249 -6.452 101 HG23 THR 17 HG23 THR 17 -1.848 -2.334 -8.155 102 H VAL 18 H VAL 18 -4.445 -6.332 -5.656 103 HA VAL 18 HA VAL 18 -6.789 -5.033 -4.558 104 HB VAL 18 HB VAL 18 -6.475 -7.885 -5.551 105 HG11 VAL 18 HG11 VAL 18 -8.962 -6.264 -5.014 106 HG12 VAL 18 HG12 VAL 18 -8.358 -7.597 -4.030 107 HG13 VAL 18 HG13 VAL 18 -8.918 -7.899 -5.675 108 HG21 VAL 18 HG21 VAL 18 -7.581 -7.113 -7.606 109 HG22 VAL 18 HG22 VAL 18 -6.040 -6.294 -7.352 110 HG23 VAL 18 HG23 VAL 18 -7.551 -5.463 -6.990 111 H CYS 19 H CYS 19 -7.158 -5.092 -2.496 112 HA CYS 19 HA CYS 19 -5.571 -6.574 -0.661 113 HB2 CYS 19 HB2 CYS 19 -7.962 -4.793 -0.327 114 HB3 CYS 19 HB3 CYS 19 -7.160 -5.605 1.018 115 H ALA 20 H ALA 20 -6.591 -7.744 1.174 116 HA ALA 20 HA ALA 20 -8.202 -9.909 0.236 117 HB1 ALA 20 HB1 ALA 20 -7.183 -9.213 2.996 118 HB2 ALA 20 HB2 ALA 20 -6.367 -10.251 1.831 119 HB3 ALA 20 HB3 ALA 20 -7.912 -10.750 2.527 120 H SER 21 H SER 21 -10.187 -10.536 1.433 121 HA SER 21 HA SER 21 -12.066 -8.477 1.509 122 HB2 SER 21 HB2 SER 21 -12.207 -11.250 2.692 123 HB3 SER 21 HB3 SER 21 -13.579 -10.231 2.250 124 HG SER 21 HG SER 21 -12.843 -10.271 0.126 125 H GLY 22 H GLY 22 -12.157 -6.964 3.016 126 HA2 GLY 22 HA2 GLY 22 -12.794 -6.433 5.287 127 HA3 GLY 22 HA3 GLY 22 -11.744 -7.736 5.822 128 H THR 23 H THR 23 -10.286 -6.089 3.316 129 HA THR 23 HA THR 23 -9.050 -4.151 5.094 130 HB THR 23 HB THR 23 -6.833 -4.644 3.897 131 HG1 THR 23 HG1 THR 23 -8.407 -6.536 2.736 132 HG21 THR 23 HG21 THR 23 -7.194 -5.266 6.230 133 HG22 THR 23 HG22 THR 23 -6.248 -6.500 5.396 134 HG23 THR 23 HG23 THR 23 -7.958 -6.771 5.720 135 H THR 24 H THR 24 -8.262 -2.230 4.033 136 HA THR 24 HA THR 24 -9.247 -1.974 1.294 137 HB THR 24 HB THR 24 -9.982 0.379 1.862 138 HG1 THR 24 HG1 THR 24 -9.135 -0.369 4.414 139 HG21 THR 24 HG21 THR 24 -12.138 -0.295 2.864 140 HG22 THR 24 HG22 THR 24 -11.448 -1.869 3.252 141 HG23 THR 24 HG23 THR 24 -11.638 -1.379 1.569 142 H CYS 25 H CYS 25 -8.007 -0.766 -0.070 143 HA CYS 25 HA CYS 25 -5.317 -0.256 0.797 144 HB2 CYS 25 HB2 CYS 25 -5.950 -1.078 -1.527 145 HB3 CYS 25 HB3 CYS 25 -6.606 0.538 -1.810 146 H GLN 26 H GLN 26 -4.883 1.490 2.005 147 HA GLN 26 HA GLN 26 -6.436 3.851 1.430 148 HB2 GLN 26 HB2 GLN 26 -4.972 3.001 3.903 149 HB3 GLN 26 HB3 GLN 26 -5.645 4.611 3.691 150 HG2 GLN 26 HG2 GLN 26 -7.872 3.589 3.379 151 HG3 GLN 26 HG3 GLN 26 -7.167 2.008 3.689 152 HE21 GLN 26 HE21 GLN 26 -8.429 1.650 5.446 153 HE22 GLN 26 HE22 GLN 26 -8.238 2.453 6.946 154 H VAL 27 H VAL 27 -5.533 5.633 0.793 155 HA VAL 27 HA VAL 27 -2.777 5.606 -0.033 156 HB VAL 27 HB VAL 27 -4.816 7.849 -0.209 157 HG11 VAL 27 HG11 VAL 27 -2.528 8.639 -0.397 158 HG12 VAL 27 HG12 VAL 27 -3.350 8.768 -1.954 159 HG13 VAL 27 HG13 VAL 27 -2.205 7.459 -1.662 160 HG21 VAL 27 HG21 VAL 27 -4.044 5.830 -2.302 161 HG22 VAL 27 HG22 VAL 27 -5.143 7.186 -2.534 162 HG23 VAL 27 HG23 VAL 27 -5.579 5.875 -1.432 163 H LEU 28 H LEU 28 -1.503 5.735 1.731 164 HA LEU 28 HA LEU 28 -2.022 7.680 3.812 165 HB2 LEU 28 HB2 LEU 28 0.501 6.094 3.314 166 HB3 LEU 28 HB3 LEU 28 0.080 6.942 4.781 167 HG LEU 28 HG LEU 28 -1.169 4.410 3.724 168 HD11 LEU 28 HD11 LEU 28 0.980 4.151 4.792 169 HD12 LEU 28 HD12 LEU 28 -0.305 3.446 5.769 170 HD13 LEU 28 HD13 LEU 28 0.399 5.004 6.219 171 HD21 LEU 28 HD21 LEU 28 -1.898 6.010 6.157 172 HD22 LEU 28 HD22 LEU 28 -2.514 4.406 5.751 173 HD23 LEU 28 HD23 LEU 28 -2.898 5.790 4.716 174 H ASN 29 H ASN 29 0.056 7.151 1.082 175 HA ASN 29 HA ASN 29 0.661 9.953 0.846 176 HB2 ASN 29 HB2 ASN 29 2.749 7.731 0.950 177 HB3 ASN 29 HB3 ASN 29 3.070 9.377 0.427 178 HD21 ASN 29 HD21 ASN 29 2.572 7.274 3.101 179 HD22 ASN 29 HD22 ASN 29 2.945 8.421 4.332 180 HA PRO 30 HA PRO 30 -0.041 8.819 -3.365 181 HB2 PRO 30 HB2 PRO 30 2.325 9.751 -4.612 182 HB3 PRO 30 HB3 PRO 30 0.743 10.509 -4.605 183 HG2 PRO 30 HG2 PRO 30 3.054 11.395 -3.268 184 HG3 PRO 30 HG3 PRO 30 1.417 12.044 -3.091 185 HD2 PRO 30 HD2 PRO 30 2.977 10.401 -1.273 186 HD3 PRO 30 HD3 PRO 30 1.464 11.264 -0.967 187 H TYR 31 H TYR 31 3.322 8.123 -2.420 188 HA TYR 31 HA TYR 31 3.298 5.999 -4.403 189 HB2 TYR 31 HB2 TYR 31 5.619 7.001 -2.717 190 HB3 TYR 31 HB3 TYR 31 5.708 5.791 -3.984 191 HD1 TYR 31 HD1 TYR 31 6.034 6.417 -6.203 192 HD2 TYR 31 HD2 TYR 31 4.877 9.374 -3.385 193 HE1 TYR 31 HE1 TYR 31 6.373 8.152 -7.887 194 HE2 TYR 31 HE2 TYR 31 5.225 11.124 -5.065 195 HH TYR 31 HH TYR 31 5.709 10.333 -8.388 196 H TYR 32 H TYR 32 3.297 6.501 -0.951 197 HA TYR 32 HA TYR 32 3.267 3.594 -0.679 198 HB2 TYR 32 HB2 TYR 32 4.861 4.820 0.794 199 HB3 TYR 32 HB3 TYR 32 3.486 5.596 1.576 200 HD1 TYR 32 HD1 TYR 32 4.912 2.254 0.806 201 HD2 TYR 32 HD2 TYR 32 2.399 4.522 3.383 202 HE1 TYR 32 HE1 TYR 32 4.668 0.300 2.272 203 HE2 TYR 32 HE2 TYR 32 2.159 2.558 4.859 204 HH TYR 32 HH TYR 32 4.108 -0.172 4.590 205 H SER 33 H SER 33 1.402 2.681 -0.745 206 HA SER 33 HA SER 33 -0.801 3.905 0.728 207 HB2 SER 33 HB2 SER 33 -0.998 2.280 -1.838 208 HB3 SER 33 HB3 SER 33 -2.342 2.944 -0.922 209 HG SER 33 HG SER 33 -0.652 4.941 -1.427 210 H GLN 34 H GLN 34 -1.710 2.505 2.183 211 HA GLN 34 HA GLN 34 -0.466 -0.157 2.270 212 HB2 GLN 34 HB2 GLN 34 0.352 1.556 3.941 213 HB3 GLN 34 HB3 GLN 34 -1.262 1.535 4.626 214 HG2 GLN 34 HG2 GLN 34 -1.033 -0.826 5.125 215 HG3 GLN 34 HG3 GLN 34 0.591 -0.817 4.433 216 HE21 GLN 34 HE21 GLN 34 1.631 -1.354 6.288 217 HE22 GLN 34 HE22 GLN 34 1.772 -0.281 7.632 218 H CYS 35 H CYS 35 -1.814 -1.827 2.890 219 HA CYS 35 HA CYS 35 -4.611 -1.206 2.583 220 HB2 CYS 35 HB2 CYS 35 -3.455 -3.202 1.463 221 HB3 CYS 35 HB3 CYS 35 -3.486 -3.945 3.056 222 H LEU 36 H LEU 36 -5.797 -0.733 4.209 223 HA LEU 36 HA LEU 36 -5.229 -1.881 6.823 224 HB2 LEU 36 HB2 LEU 36 -6.140 0.925 6.188 225 HB3 LEU 36 HB3 LEU 36 -5.930 0.264 7.794 226 HG LEU 36 HG LEU 36 -3.728 0.722 5.783 227 HD11 LEU 36 HD11 LEU 36 -4.606 2.806 6.678 228 HD12 LEU 36 HD12 LEU 36 -2.988 2.487 7.302 229 HD13 LEU 36 HD13 LEU 36 -4.397 2.203 8.322 230 HD21 LEU 36 HD21 LEU 36 -3.600 -0.252 8.639 231 HD22 LEU 36 HD22 LEU 36 -2.209 0.212 7.662 232 HD23 LEU 36 HD23 LEU 36 -3.193 -1.168 7.187 233 H1 MAN 101 H1 MAN 101 1.539 -9.468 4.211 234 H2 MAN 101 H2 MAN 101 2.422 -7.223 2.339 235 H3 MAN 101 H3 MAN 101 4.630 -7.721 2.961 236 H4 MAN 101 H4 MAN 101 4.919 -10.036 1.922 237 H5 MAN 101 H5 MAN 101 2.745 -11.103 1.108 238 H61 MAN 101 H61 MAN 101 3.168 -10.886 4.122 239 H62 MAN 101 H62 MAN 101 3.756 -12.158 3.038 240 HO2 MAN 101 HO2 MAN 101 1.618 -6.734 4.391 241 HO3 MAN 101 HO3 MAN 101 4.032 -8.526 5.026 242 HO4 MAN 101 HO4 MAN 101 4.489 -8.110 0.655 243 HO6 MAN 101 HO6 MAN 101 1.008 -11.789 2.907 Start of MODEL 15 1 H1 THR 1 H1 THR 1 -3.731 -11.801 -4.092 2 H2 THR 1 H2 THR 1 -2.785 -11.909 -2.700 3 H3 THR 1 H3 THR 1 -2.255 -10.942 -3.989 4 HA THR 1 HA THR 1 -4.185 -9.532 -3.563 5 HB THR 1 HB THR 1 -5.166 -10.008 -1.227 6 HG1 THR 1 HG1 THR 1 -5.177 -12.347 -0.829 7 HG21 THR 1 HG21 THR 1 -6.889 -11.500 -2.189 8 HG22 THR 1 HG22 THR 1 -5.844 -11.780 -3.582 9 HG23 THR 1 HG23 THR 1 -6.486 -10.169 -3.272 10 H ALA 2 H ALA 2 -4.061 -7.880 -1.946 11 HA ALA 2 HA ALA 2 -1.425 -7.646 -0.748 12 HB1 ALA 2 HB1 ALA 2 -3.679 -5.655 -1.092 13 HB2 ALA 2 HB2 ALA 2 -2.238 -5.772 -2.101 14 HB3 ALA 2 HB3 ALA 2 -2.095 -5.292 -0.407 15 H SER 3 H SER 3 -1.172 -7.741 1.398 16 HA SER 3 HA SER 3 -3.480 -8.609 2.888 17 HB2 SER 3 HB2 SER 3 -1.736 -9.345 4.531 18 HB3 SER 3 HB3 SER 3 -1.665 -10.131 2.955 19 H HIS 4 H HIS 4 -3.530 -8.009 5.154 20 HA HIS 4 HA HIS 4 -3.918 -5.261 5.502 21 HB2 HIS 4 HB2 HIS 4 -4.968 -7.270 6.720 22 HB3 HIS 4 HB3 HIS 4 -3.508 -7.289 7.684 23 HD1 HIS 4 HD1 HIS 4 -5.404 -6.939 9.583 24 HD2 HIS 4 HD2 HIS 4 -4.615 -3.718 7.110 25 HE1 HIS 4 HE1 HIS 4 -6.404 -4.947 10.744 26 HE2 HIS 4 HE2 HIS 4 -6.327 -3.208 8.947 27 H TYR 5 H TYR 5 -2.487 -3.723 5.909 28 HA TYR 5 HA TYR 5 -0.783 -2.541 6.625 29 HB2 TYR 5 HB2 TYR 5 0.115 -4.993 8.136 30 HB3 TYR 5 HB3 TYR 5 0.996 -3.468 8.175 31 HD1 TYR 5 HD1 TYR 5 -0.084 -1.472 9.168 32 HD2 TYR 5 HD2 TYR 5 -1.869 -5.326 9.402 33 HE1 TYR 5 HE1 TYR 5 -1.542 -0.683 10.970 34 HE2 TYR 5 HE2 TYR 5 -3.331 -4.537 11.214 35 HH TYR 5 HH TYR 5 -3.457 -2.840 12.826 36 H GLY 6 H GLY 6 -0.697 -4.707 4.375 37 HA2 GLY 6 HA2 GLY 6 2.115 -4.295 3.699 38 HA3 GLY 6 HA3 GLY 6 0.977 -5.347 2.854 39 H GLN 7 H GLN 7 2.626 -3.407 1.574 40 HA GLN 7 HA GLN 7 1.066 -1.119 0.956 41 HB2 GLN 7 HB2 GLN 7 3.538 -1.169 0.704 42 HB3 GLN 7 HB3 GLN 7 3.380 -2.377 -0.564 43 HG2 GLN 7 HG2 GLN 7 2.269 -0.723 -1.988 44 HG3 GLN 7 HG3 GLN 7 2.369 0.463 -0.687 45 HE21 GLN 7 HE21 GLN 7 3.667 1.904 -2.027 46 HE22 GLN 7 HE22 GLN 7 5.295 1.514 -2.327 47 H CYS 8 H CYS 8 -0.496 -0.903 -0.491 48 HA CYS 8 HA CYS 8 -1.245 -3.328 -2.012 49 HB2 CYS 8 HB2 CYS 8 -3.567 -2.560 -1.640 50 HB3 CYS 8 HB3 CYS 8 -2.683 -3.000 -0.172 51 H GLY 9 H GLY 9 -0.035 -0.361 -2.703 52 HA2 GLY 9 HA2 GLY 9 -0.515 -0.341 -5.359 53 HA3 GLY 9 HA3 GLY 9 -2.029 0.265 -4.709 54 H GLY 10 H GLY 10 1.414 0.844 -4.746 55 HA2 GLY 10 HA2 GLY 10 0.808 3.686 -4.401 56 HA3 GLY 10 HA3 GLY 10 2.375 2.932 -4.088 57 H ILE 11 H ILE 11 2.192 5.118 -5.721 58 HA ILE 11 HA ILE 11 2.019 4.460 -8.445 59 HB ILE 11 HB ILE 11 3.588 6.640 -7.060 60 HG12 ILE 11 HG12 ILE 11 0.866 6.684 -8.394 61 HG13 ILE 11 HG13 ILE 11 1.183 6.717 -6.666 62 HG21 ILE 11 HG21 ILE 11 3.628 7.767 -9.285 63 HG22 ILE 11 HG22 ILE 11 2.842 6.350 -9.988 64 HG23 ILE 11 HG23 ILE 11 4.466 6.212 -9.325 65 HD11 ILE 11 HD11 ILE 11 2.269 8.873 -6.887 66 HD12 ILE 11 HD12 ILE 11 0.621 8.915 -7.513 67 HD13 ILE 11 HD13 ILE 11 1.987 8.849 -8.629 68 H GLY 12 H GLY 12 3.256 3.175 -9.564 69 HA2 GLY 12 HA2 GLY 12 5.296 2.456 -10.494 70 HA3 GLY 12 HA3 GLY 12 6.145 3.089 -9.088 71 H TYR 13 H TYR 13 3.815 1.619 -7.606 72 HA TYR 13 HA TYR 13 5.417 -0.699 -7.035 73 HB2 TYR 13 HB2 TYR 13 4.397 0.490 -5.192 74 HB3 TYR 13 HB3 TYR 13 2.796 0.274 -5.872 75 HD1 TYR 13 HD1 TYR 13 5.693 -1.917 -4.982 76 HD2 TYR 13 HD2 TYR 13 1.513 -1.249 -4.739 77 HE1 TYR 13 HE1 TYR 13 5.464 -3.924 -3.592 78 HE2 TYR 13 HE2 TYR 13 1.270 -3.259 -3.357 79 HH TYR 13 HH TYR 13 2.323 -5.146 -2.704 80 H SER 14 H SER 14 5.349 -2.330 -8.356 81 HA SER 14 HA SER 14 2.964 -2.984 -9.838 82 HB2 SER 14 HB2 SER 14 4.670 -4.642 -10.857 83 HB3 SER 14 HB3 SER 14 4.845 -2.916 -11.195 84 HG SER 14 HG SER 14 6.817 -3.799 -10.603 85 H GLY 15 H GLY 15 3.826 -3.667 -6.861 86 HA2 GLY 15 HA2 GLY 15 3.618 -6.550 -6.817 87 HA3 GLY 15 HA3 GLY 15 3.645 -5.500 -5.407 88 HA PRO 16 HA PRO 16 -0.594 -7.594 -5.739 89 HB2 PRO 16 HB2 PRO 16 -0.699 -7.444 -2.935 90 HB3 PRO 16 HB3 PRO 16 -0.252 -8.868 -3.875 91 HG2 PRO 16 HG2 PRO 16 1.529 -6.767 -2.670 92 HG3 PRO 16 HG3 PRO 16 1.738 -8.538 -2.669 93 HD2 PRO 16 HD2 PRO 16 3.130 -7.084 -4.293 94 HD3 PRO 16 HD3 PRO 16 2.324 -8.528 -4.948 95 H THR 17 H THR 17 -2.390 -6.373 -5.876 96 HA THR 17 HA THR 17 -2.360 -3.787 -4.511 97 HB THR 17 HB THR 17 -3.650 -2.978 -6.614 98 HG1 THR 17 HG1 THR 17 -2.213 -5.237 -7.617 99 HG21 THR 17 HG21 THR 17 -1.514 -2.358 -7.682 100 HG22 THR 17 HG22 THR 17 -0.681 -3.560 -6.701 101 HG23 THR 17 HG23 THR 17 -1.437 -2.162 -5.933 102 H VAL 18 H VAL 18 -4.273 -6.550 -5.336 103 HA VAL 18 HA VAL 18 -6.752 -5.223 -4.553 104 HB VAL 18 HB VAL 18 -6.284 -8.128 -5.313 105 HG11 VAL 18 HG11 VAL 18 -8.717 -8.219 -5.653 106 HG12 VAL 18 HG12 VAL 18 -8.854 -6.557 -5.090 107 HG13 VAL 18 HG13 VAL 18 -8.307 -7.815 -3.984 108 HG21 VAL 18 HG21 VAL 18 -7.245 -7.534 -7.501 109 HG22 VAL 18 HG22 VAL 18 -5.743 -6.665 -7.182 110 HG23 VAL 18 HG23 VAL 18 -7.292 -5.841 -7.008 111 H CYS 19 H CYS 19 -7.334 -5.169 -2.465 112 HA CYS 19 HA CYS 19 -5.827 -6.612 -0.504 113 HB2 CYS 19 HB2 CYS 19 -8.166 -4.708 -0.235 114 HB3 CYS 19 HB3 CYS 19 -7.412 -5.551 1.105 115 H ALA 20 H ALA 20 -6.906 -7.725 1.274 116 HA ALA 20 HA ALA 20 -8.574 -9.837 0.289 117 HB1 ALA 20 HB1 ALA 20 -7.457 -9.227 3.032 118 HB2 ALA 20 HB2 ALA 20 -6.750 -10.314 1.839 119 HB3 ALA 20 HB3 ALA 20 -8.300 -10.707 2.585 120 H SER 21 H SER 21 -10.507 -10.440 1.716 121 HA SER 21 HA SER 21 -12.286 -8.254 1.657 122 HB2 SER 21 HB2 SER 21 -12.656 -11.055 2.734 123 HB3 SER 21 HB3 SER 21 -13.957 -9.909 2.376 124 HG SER 21 HG SER 21 -12.983 -9.828 0.213 125 H GLY 22 H GLY 22 -12.620 -6.800 3.166 126 HA2 GLY 22 HA2 GLY 22 -13.183 -6.276 5.444 127 HA3 GLY 22 HA3 GLY 22 -12.017 -7.489 5.961 128 H THR 23 H THR 23 -10.330 -6.383 3.633 129 HA THR 23 HA THR 23 -9.235 -4.176 5.220 130 HB THR 23 HB THR 23 -7.036 -4.691 4.040 131 HG1 THR 23 HG1 THR 23 -8.632 -6.509 2.799 132 HG21 THR 23 HG21 THR 23 -8.247 -6.822 5.783 133 HG22 THR 23 HG22 THR 23 -7.429 -5.360 6.343 134 HG23 THR 23 HG23 THR 23 -6.527 -6.612 5.480 135 H THR 24 H THR 24 -8.471 -2.289 4.201 136 HA THR 24 HA THR 24 -9.489 -1.943 1.489 137 HB THR 24 HB THR 24 -9.992 0.454 2.221 138 HG1 THR 24 HG1 THR 24 -9.114 -0.598 4.611 139 HG21 THR 24 HG21 THR 24 -11.767 -1.198 1.788 140 HG22 THR 24 HG22 THR 24 -12.200 -0.133 3.119 141 HG23 THR 24 HG23 THR 24 -11.639 -1.774 3.450 142 H CYS 25 H CYS 25 -8.162 -0.914 0.120 143 HA CYS 25 HA CYS 25 -5.457 -0.501 0.971 144 HB2 CYS 25 HB2 CYS 25 -6.064 -1.407 -1.294 145 HB3 CYS 25 HB3 CYS 25 -6.720 0.188 -1.676 146 H GLN 26 H GLN 26 -4.922 1.313 2.050 147 HA GLN 26 HA GLN 26 -6.374 3.686 1.296 148 HB2 GLN 26 HB2 GLN 26 -5.177 2.879 3.929 149 HB3 GLN 26 HB3 GLN 26 -5.852 4.465 3.587 150 HG2 GLN 26 HG2 GLN 26 -8.034 3.433 3.119 151 HG3 GLN 26 HG3 GLN 26 -7.348 1.850 3.453 152 HE21 GLN 26 HE21 GLN 26 -8.815 1.460 5.106 153 HE22 GLN 26 HE22 GLN 26 -8.693 2.255 6.627 154 H VAL 27 H VAL 27 -5.263 5.090 0.267 155 HA VAL 27 HA VAL 27 -2.451 4.974 -0.053 156 HB VAL 27 HB VAL 27 -4.417 7.174 -0.793 157 HG11 VAL 27 HG11 VAL 27 -1.604 6.704 -1.771 158 HG12 VAL 27 HG12 VAL 27 -2.123 8.012 -0.710 159 HG13 VAL 27 HG13 VAL 27 -2.712 7.937 -2.373 160 HG21 VAL 27 HG21 VAL 27 -3.296 4.909 -2.428 161 HG22 VAL 27 HG22 VAL 27 -4.270 6.236 -3.059 162 HG23 VAL 27 HG23 VAL 27 -4.968 5.101 -1.900 163 H LEU 28 H LEU 28 -1.180 5.460 1.559 164 HA LEU 28 HA LEU 28 -1.956 7.374 3.593 165 HB2 LEU 28 HB2 LEU 28 0.581 5.774 3.266 166 HB3 LEU 28 HB3 LEU 28 0.144 6.689 4.695 167 HG LEU 28 HG LEU 28 -1.162 4.164 3.664 168 HD11 LEU 28 HD11 LEU 28 0.931 3.816 4.777 169 HD12 LEU 28 HD12 LEU 28 -0.404 3.222 5.769 170 HD13 LEU 28 HD13 LEU 28 0.383 4.748 6.169 171 HD21 LEU 28 HD21 LEU 28 -2.883 5.607 4.603 172 HD22 LEU 28 HD22 LEU 28 -1.881 5.824 6.054 173 HD23 LEU 28 HD23 LEU 28 -2.523 4.231 5.659 174 H ASN 29 H ASN 29 0.475 6.868 1.148 175 HA ASN 29 HA ASN 29 1.028 9.741 0.998 176 HB2 ASN 29 HB2 ASN 29 3.077 7.479 0.902 177 HB3 ASN 29 HB3 ASN 29 3.405 9.183 0.605 178 HD21 ASN 29 HD21 ASN 29 4.450 7.288 2.600 179 HD22 ASN 29 HD22 ASN 29 4.181 8.033 4.131 180 HA PRO 30 HA PRO 30 0.277 8.924 -3.251 181 HB2 PRO 30 HB2 PRO 30 2.650 9.822 -4.496 182 HB3 PRO 30 HB3 PRO 30 1.120 10.680 -4.368 183 HG2 PRO 30 HG2 PRO 30 3.560 11.238 -3.014 184 HG3 PRO 30 HG3 PRO 30 2.013 12.076 -2.829 185 HD2 PRO 30 HD2 PRO 30 3.340 10.266 -1.044 186 HD3 PRO 30 HD3 PRO 30 1.852 11.162 -0.748 187 H TYR 31 H TYR 31 3.466 7.941 -2.245 188 HA TYR 31 HA TYR 31 3.439 5.883 -4.326 189 HB2 TYR 31 HB2 TYR 31 5.615 6.644 -2.380 190 HB3 TYR 31 HB3 TYR 31 5.750 5.405 -3.618 191 HD1 TYR 31 HD1 TYR 31 5.630 8.997 -2.953 192 HD2 TYR 31 HD2 TYR 31 6.006 6.013 -5.951 193 HE1 TYR 31 HE1 TYR 31 6.444 10.691 -4.524 194 HE2 TYR 31 HE2 TYR 31 6.823 7.696 -7.537 195 HH TYR 31 HH TYR 31 7.750 10.811 -6.478 196 H TYR 32 H TYR 32 3.048 6.304 -0.872 197 HA TYR 32 HA TYR 32 3.195 3.406 -0.586 198 HB2 TYR 32 HB2 TYR 32 4.738 4.696 0.854 199 HB3 TYR 32 HB3 TYR 32 3.347 5.435 1.644 200 HD1 TYR 32 HD1 TYR 32 4.852 2.107 0.888 201 HD2 TYR 32 HD2 TYR 32 2.455 4.407 3.530 202 HE1 TYR 32 HE1 TYR 32 4.792 0.219 2.454 203 HE2 TYR 32 HE2 TYR 32 2.364 2.526 5.109 204 HH TYR 32 HH TYR 32 2.687 0.170 5.202 205 H SER 33 H SER 33 1.348 2.440 -0.678 206 HA SER 33 HA SER 33 -0.940 3.649 0.680 207 HB2 SER 33 HB2 SER 33 -0.941 1.823 -1.757 208 HB3 SER 33 HB3 SER 33 -2.364 2.534 -1.008 209 HG SER 33 HG SER 33 -1.176 3.551 -2.938 210 H GLN 34 H GLN 34 -1.782 2.327 2.246 211 HA GLN 34 HA GLN 34 -0.604 -0.355 2.378 212 HB2 GLN 34 HB2 GLN 34 0.449 1.210 3.992 213 HB3 GLN 34 HB3 GLN 34 -1.138 1.502 4.690 214 HG2 GLN 34 HG2 GLN 34 -1.306 -0.809 5.356 215 HG3 GLN 34 HG3 GLN 34 0.249 -1.160 4.605 216 HE21 GLN 34 HE21 GLN 34 -1.347 0.252 7.262 217 HE22 GLN 34 HE22 GLN 34 0.055 0.524 8.237 218 H CYS 35 H CYS 35 -1.977 -1.950 2.914 219 HA CYS 35 HA CYS 35 -4.747 -1.239 2.737 220 HB2 CYS 35 HB2 CYS 35 -3.679 -3.241 1.585 221 HB3 CYS 35 HB3 CYS 35 -3.692 -4.027 3.171 222 H LEU 36 H LEU 36 -5.979 -0.840 4.338 223 HA LEU 36 HA LEU 36 -5.223 -1.725 7.009 224 HB2 LEU 36 HB2 LEU 36 -6.436 0.865 6.079 225 HB3 LEU 36 HB3 LEU 36 -6.359 0.385 7.759 226 HG LEU 36 HG LEU 36 -3.935 0.781 5.997 227 HD11 LEU 36 HD11 LEU 36 -5.090 2.892 6.379 228 HD12 LEU 36 HD12 LEU 36 -3.581 2.827 7.294 229 HD13 LEU 36 HD13 LEU 36 -5.125 2.565 8.109 230 HD21 LEU 36 HD21 LEU 36 -4.304 0.252 8.921 231 HD22 LEU 36 HD22 LEU 36 -2.804 0.825 8.235 232 HD23 LEU 36 HD23 LEU 36 -3.437 -0.763 7.764 233 H1 MAN 101 H1 MAN 101 0.560 -10.108 4.683 234 H2 MAN 101 H2 MAN 101 2.285 -8.317 4.211 235 H3 MAN 101 H3 MAN 101 1.894 -8.073 1.794 236 H4 MAN 101 H4 MAN 101 3.065 -10.868 1.653 237 H5 MAN 101 H5 MAN 101 0.235 -9.836 1.049 238 H61 MAN 101 H61 MAN 101 -0.356 -12.215 0.789 239 H62 MAN 101 H62 MAN 101 1.350 -12.693 0.974 240 HO2 MAN 101 HO2 MAN 101 2.899 -10.425 4.964 241 HO3 MAN 101 HO3 MAN 101 4.421 -9.241 2.417 242 HO4 MAN 101 HO4 MAN 101 3.582 -9.366 0.003 243 HO6 MAN 101 HO6 MAN 101 1.579 -10.995 -0.796 Start of MODEL 16 1 H1 THR 1 H1 THR 1 -3.009 -11.354 -3.713 2 H2 THR 1 H2 THR 1 -4.637 -11.737 -4.013 3 H3 THR 1 H3 THR 1 -4.002 -11.871 -2.452 4 HA THR 1 HA THR 1 -4.337 -9.381 -3.932 5 HB THR 1 HB THR 1 -5.891 -9.010 -1.883 6 HG1 THR 1 HG1 THR 1 -6.887 -11.194 -1.416 7 HG21 THR 1 HG21 THR 1 -7.799 -10.013 -3.106 8 HG22 THR 1 HG22 THR 1 -6.652 -10.854 -4.157 9 HG23 THR 1 HG23 THR 1 -6.723 -9.095 -4.155 10 H ALA 2 H ALA 2 -4.220 -7.548 -2.244 11 HA ALA 2 HA ALA 2 -1.606 -7.528 -1.201 12 HB1 ALA 2 HB1 ALA 2 -3.833 -5.540 -0.741 13 HB2 ALA 2 HB2 ALA 2 -2.709 -5.526 -2.102 14 HB3 ALA 2 HB3 ALA 2 -2.113 -5.274 -0.463 15 H SER 3 H SER 3 -1.081 -6.926 0.981 16 HA SER 3 HA SER 3 -2.477 -8.637 2.873 17 HB2 SER 3 HB2 SER 3 -0.197 -8.499 3.963 18 HB3 SER 3 HB3 SER 3 -0.271 -9.333 2.401 19 H HIS 4 H HIS 4 -2.516 -7.881 5.124 20 HA HIS 4 HA HIS 4 -3.409 -5.175 5.296 21 HB2 HIS 4 HB2 HIS 4 -4.297 -7.166 6.647 22 HB3 HIS 4 HB3 HIS 4 -2.832 -7.046 7.604 23 HD1 HIS 4 HD1 HIS 4 -4.130 -6.443 9.754 24 HD2 HIS 4 HD2 HIS 4 -4.782 -3.827 6.616 25 HE1 HIS 4 HE1 HIS 4 -5.420 -4.537 10.727 26 HE2 HIS 4 HE2 HIS 4 -6.120 -3.220 8.721 27 H TYR 5 H TYR 5 -2.294 -3.438 5.831 28 HA TYR 5 HA TYR 5 -0.707 -2.037 6.487 29 HB2 TYR 5 HB2 TYR 5 0.592 -4.412 7.818 30 HB3 TYR 5 HB3 TYR 5 1.322 -2.819 7.800 31 HD1 TYR 5 HD1 TYR 5 -1.312 -4.906 9.191 32 HD2 TYR 5 HD2 TYR 5 0.363 -1.010 9.089 33 HE1 TYR 5 HE1 TYR 5 -2.520 -4.336 11.245 34 HE2 TYR 5 HE2 TYR 5 -0.842 -0.426 11.136 35 HH TYR 5 HH TYR 5 -2.846 -1.180 12.359 36 H GLY 6 H GLY 6 -0.441 -4.327 4.290 37 HA2 GLY 6 HA2 GLY 6 2.271 -3.762 3.491 38 HA3 GLY 6 HA3 GLY 6 1.120 -4.824 2.677 39 H GLN 7 H GLN 7 2.630 -3.103 1.261 40 HA GLN 7 HA GLN 7 1.209 -0.681 0.722 41 HB2 GLN 7 HB2 GLN 7 3.685 -1.103 0.322 42 HB3 GLN 7 HB3 GLN 7 3.199 -2.149 -1.005 43 HG2 GLN 7 HG2 GLN 7 2.182 -0.278 -2.150 44 HG3 GLN 7 HG3 GLN 7 2.596 0.790 -0.809 45 HE21 GLN 7 HE21 GLN 7 3.927 2.140 -2.127 46 HE22 GLN 7 HE22 GLN 7 5.425 1.585 -2.665 47 H CYS 8 H CYS 8 -0.602 -0.597 -0.467 48 HA CYS 8 HA CYS 8 -1.324 -3.038 -1.948 49 HB2 CYS 8 HB2 CYS 8 -3.623 -2.259 -1.749 50 HB3 CYS 8 HB3 CYS 8 -2.833 -2.555 -0.195 51 H GLY 9 H GLY 9 -0.299 0.068 -2.624 52 HA2 GLY 9 HA2 GLY 9 -0.580 -0.143 -5.358 53 HA3 GLY 9 HA3 GLY 9 -2.111 0.508 -4.789 54 H GLY 10 H GLY 10 1.268 1.043 -4.066 55 HA2 GLY 10 HA2 GLY 10 0.733 3.907 -4.361 56 HA3 GLY 10 HA3 GLY 10 2.051 3.219 -3.404 57 H ILE 11 H ILE 11 2.536 5.096 -5.399 58 HA ILE 11 HA ILE 11 3.241 3.964 -7.853 59 HB ILE 11 HB ILE 11 4.620 6.276 -6.437 60 HG12 ILE 11 HG12 ILE 11 2.372 6.320 -8.466 61 HG13 ILE 11 HG13 ILE 11 2.153 6.559 -6.737 62 HG21 ILE 11 HG21 ILE 11 5.317 6.950 -8.704 63 HG22 ILE 11 HG22 ILE 11 4.548 5.504 -9.360 64 HG23 ILE 11 HG23 ILE 11 5.934 5.347 -8.288 65 HD11 ILE 11 HD11 ILE 11 2.150 8.673 -7.937 66 HD12 ILE 11 HD12 ILE 11 3.750 8.317 -8.589 67 HD13 ILE 11 HD13 ILE 11 3.541 8.574 -6.858 68 H GLY 12 H GLY 12 4.595 2.427 -8.253 69 HA2 GLY 12 HA2 GLY 12 6.951 1.729 -8.249 70 HA3 GLY 12 HA3 GLY 12 6.951 2.060 -6.518 71 H TYR 13 H TYR 13 4.177 0.927 -6.377 72 HA TYR 13 HA TYR 13 5.025 -1.800 -5.849 73 HB2 TYR 13 HB2 TYR 13 3.677 -0.612 -4.185 74 HB3 TYR 13 HB3 TYR 13 2.395 -0.382 -5.359 75 HD1 TYR 13 HD1 TYR 13 4.304 -3.080 -3.630 76 HD2 TYR 13 HD2 TYR 13 0.642 -1.896 -5.419 77 HE1 TYR 13 HE1 TYR 13 3.255 -5.166 -2.849 78 HE2 TYR 13 HE2 TYR 13 -0.415 -3.975 -4.655 79 HH TYR 13 HH TYR 13 -0.030 -5.995 -3.804 80 H SER 14 H SER 14 4.764 -3.417 -7.272 81 HA SER 14 HA SER 14 2.821 -3.006 -9.430 82 HB2 SER 14 HB2 SER 14 4.397 -4.512 -10.702 83 HB3 SER 14 HB3 SER 14 5.014 -2.904 -10.311 84 HG SER 14 HG SER 14 6.564 -3.858 -9.366 85 H GLY 15 H GLY 15 2.892 -4.442 -6.685 86 HA2 GLY 15 HA2 GLY 15 2.331 -7.178 -7.413 87 HA3 GLY 15 HA3 GLY 15 2.232 -6.476 -5.800 88 HA PRO 16 HA PRO 16 -2.182 -7.329 -7.210 89 HB2 PRO 16 HB2 PRO 16 -2.718 -8.178 -4.623 90 HB3 PRO 16 HB3 PRO 16 -2.314 -9.264 -5.958 91 HG2 PRO 16 HG2 PRO 16 -0.484 -8.058 -3.891 92 HG3 PRO 16 HG3 PRO 16 -0.576 -9.761 -4.419 93 HD2 PRO 16 HD2 PRO 16 1.308 -8.231 -5.304 94 HD3 PRO 16 HD3 PRO 16 0.405 -9.212 -6.481 95 H THR 17 H THR 17 -3.195 -5.354 -7.164 96 HA THR 17 HA THR 17 -2.765 -3.606 -4.888 97 HB THR 17 HB THR 17 -3.903 -1.910 -6.318 98 HG1 THR 17 HG1 THR 17 -3.505 -3.646 -8.504 99 HG21 THR 17 HG21 THR 17 -2.001 -1.615 -7.870 100 HG22 THR 17 HG22 THR 17 -1.468 -3.258 -7.507 101 HG23 THR 17 HG23 THR 17 -1.468 -2.031 -6.243 102 H VAL 18 H VAL 18 -4.997 -5.895 -5.704 103 HA VAL 18 HA VAL 18 -7.188 -4.514 -4.356 104 HB VAL 18 HB VAL 18 -7.087 -7.322 -5.542 105 HG11 VAL 18 HG11 VAL 18 -9.439 -5.784 -4.447 106 HG12 VAL 18 HG12 VAL 18 -8.687 -7.201 -3.717 107 HG13 VAL 18 HG13 VAL 18 -9.518 -7.347 -5.265 108 HG21 VAL 18 HG21 VAL 18 -6.972 -5.598 -7.260 109 HG22 VAL 18 HG22 VAL 18 -8.403 -4.817 -6.584 110 HG23 VAL 18 HG23 VAL 18 -8.533 -6.420 -7.302 111 H CYS 19 H CYS 19 -7.709 -4.966 -2.269 112 HA CYS 19 HA CYS 19 -5.700 -6.337 -0.760 113 HB2 CYS 19 HB2 CYS 19 -8.121 -4.770 0.028 114 HB3 CYS 19 HB3 CYS 19 -7.115 -5.640 1.177 115 H ALA 20 H ALA 20 -6.355 -7.652 1.125 116 HA ALA 20 HA ALA 20 -7.764 -9.966 0.257 117 HB1 ALA 20 HB1 ALA 20 -7.097 -10.820 2.474 118 HB2 ALA 20 HB2 ALA 20 -6.498 -9.220 2.899 119 HB3 ALA 20 HB3 ALA 20 -5.730 -10.131 1.598 120 H SER 21 H SER 21 -9.439 -10.904 1.775 121 HA SER 21 HA SER 21 -11.605 -9.203 1.972 122 HB2 SER 21 HB2 SER 21 -12.377 -11.241 3.455 123 HB3 SER 21 HB3 SER 21 -12.194 -11.382 1.706 124 HG SER 21 HG SER 21 -10.335 -12.115 3.709 125 H GLY 22 H GLY 22 -11.965 -7.641 3.330 126 HA2 GLY 22 HA2 GLY 22 -12.584 -7.025 5.571 127 HA3 GLY 22 HA3 GLY 22 -11.258 -8.022 6.160 128 H THR 23 H THR 23 -9.758 -6.802 3.749 129 HA THR 23 HA THR 23 -8.922 -4.448 5.274 130 HB THR 23 HB THR 23 -6.679 -4.753 4.154 131 HG1 THR 23 HG1 THR 23 -8.096 -6.788 2.907 132 HG21 THR 23 HG21 THR 23 -7.073 -5.587 6.422 133 HG22 THR 23 HG22 THR 23 -5.998 -6.667 5.536 134 HG23 THR 23 HG23 THR 23 -7.691 -7.102 5.765 135 H THR 24 H THR 24 -8.366 -2.508 4.124 136 HA THR 24 HA THR 24 -9.411 -2.420 1.378 137 HB THR 24 HB THR 24 -10.344 -0.162 1.882 138 HG1 THR 24 HG1 THR 24 -9.338 -0.790 4.442 139 HG21 THR 24 HG21 THR 24 -12.308 -0.932 3.150 140 HG22 THR 24 HG22 THR 24 -11.421 -2.383 3.623 141 HG23 THR 24 HG23 THR 24 -11.819 -2.106 1.927 142 H CYS 25 H CYS 25 -8.319 -1.055 -0.042 143 HA CYS 25 HA CYS 25 -5.618 -0.448 0.741 144 HB2 CYS 25 HB2 CYS 25 -6.165 -1.387 -1.519 145 HB3 CYS 25 HB3 CYS 25 -6.997 0.126 -1.885 146 H GLN 26 H GLN 26 -5.139 1.379 1.795 147 HA GLN 26 HA GLN 26 -6.692 3.737 1.162 148 HB2 GLN 26 HB2 GLN 26 -5.413 2.832 3.733 149 HB3 GLN 26 HB3 GLN 26 -6.134 4.412 3.531 150 HG2 GLN 26 HG2 GLN 26 -8.311 3.332 3.057 151 HG3 GLN 26 HG3 GLN 26 -7.558 1.760 3.271 152 HE21 GLN 26 HE21 GLN 26 -8.932 1.208 4.907 153 HE22 GLN 26 HE22 GLN 26 -8.838 1.873 6.487 154 H VAL 27 H VAL 27 -5.533 5.077 -0.009 155 HA VAL 27 HA VAL 27 -2.693 4.996 -0.197 156 HB VAL 27 HB VAL 27 -4.661 7.077 -1.239 157 HG11 VAL 27 HG11 VAL 27 -1.748 6.711 -1.929 158 HG12 VAL 27 HG12 VAL 27 -2.439 8.053 -1.020 159 HG13 VAL 27 HG13 VAL 27 -2.858 7.829 -2.719 160 HG21 VAL 27 HG21 VAL 27 -3.258 4.811 -2.639 161 HG22 VAL 27 HG22 VAL 27 -4.296 6.006 -3.410 162 HG23 VAL 27 HG23 VAL 27 -4.978 4.868 -2.236 163 H LEU 28 H LEU 28 -1.499 5.572 1.458 164 HA LEU 28 HA LEU 28 -2.347 7.630 3.331 165 HB2 LEU 28 HB2 LEU 28 0.224 6.063 3.284 166 HB3 LEU 28 HB3 LEU 28 -0.384 7.016 4.617 167 HG LEU 28 HG LEU 28 -1.424 4.374 3.609 168 HD11 LEU 28 HD11 LEU 28 -0.232 5.226 6.225 169 HD12 LEU 28 HD12 LEU 28 0.566 4.272 4.979 170 HD13 LEU 28 HD13 LEU 28 -0.827 3.612 5.839 171 HD21 LEU 28 HD21 LEU 28 -3.021 4.458 5.412 172 HD22 LEU 28 HD22 LEU 28 -3.319 5.760 4.245 173 HD23 LEU 28 HD23 LEU 28 -2.530 6.109 5.796 174 H ASN 29 H ASN 29 0.099 7.021 0.919 175 HA ASN 29 HA ASN 29 0.777 9.837 0.784 176 HB2 ASN 29 HB2 ASN 29 2.790 7.554 1.031 177 HB3 ASN 29 HB3 ASN 29 3.210 9.213 0.636 178 HD21 ASN 29 HD21 ASN 29 2.419 6.986 3.133 179 HD22 ASN 29 HD22 ASN 29 2.662 8.053 4.456 180 HA PRO 30 HA PRO 30 0.464 8.776 -3.464 181 HB2 PRO 30 HB2 PRO 30 2.861 9.781 -4.570 182 HB3 PRO 30 HB3 PRO 30 1.287 10.562 -4.545 183 HG2 PRO 30 HG2 PRO 30 3.607 11.277 -3.072 184 HG3 PRO 30 HG3 PRO 30 2.007 12.021 -2.985 185 HD2 PRO 30 HD2 PRO 30 3.333 10.259 -1.108 186 HD3 PRO 30 HD3 PRO 30 1.829 11.168 -0.899 187 H TYR 31 H TYR 31 3.699 8.015 -2.203 188 HA TYR 31 HA TYR 31 3.791 5.883 -4.192 189 HB2 TYR 31 HB2 TYR 31 5.894 6.728 -2.187 190 HB3 TYR 31 HB3 TYR 31 6.078 5.469 -3.388 191 HD1 TYR 31 HD1 TYR 31 5.480 9.124 -3.032 192 HD2 TYR 31 HD2 TYR 31 6.938 5.983 -5.496 193 HE1 TYR 31 HE1 TYR 31 6.427 10.780 -4.576 194 HE2 TYR 31 HE2 TYR 31 7.881 7.637 -7.054 195 HH TYR 31 HH TYR 31 8.241 10.873 -6.220 196 H TYR 32 H TYR 32 3.345 6.431 -0.755 197 HA TYR 32 HA TYR 32 3.249 3.536 -0.494 198 HB2 TYR 32 HB2 TYR 32 4.738 4.708 1.107 199 HB3 TYR 32 HB3 TYR 32 3.317 5.502 1.791 200 HD1 TYR 32 HD1 TYR 32 4.788 2.171 1.115 201 HD2 TYR 32 HD2 TYR 32 2.022 4.410 3.456 202 HE1 TYR 32 HE1 TYR 32 4.404 0.206 2.524 203 HE2 TYR 32 HE2 TYR 32 1.645 2.468 4.881 204 HH TYR 32 HH TYR 32 1.878 -0.228 4.429 205 H SER 33 H SER 33 1.399 2.678 -0.760 206 HA SER 33 HA SER 33 -0.931 3.945 0.518 207 HB2 SER 33 HB2 SER 33 -0.953 2.001 -1.833 208 HB3 SER 33 HB3 SER 33 -2.337 2.861 -1.158 209 HG SER 33 HG SER 33 -1.253 3.773 -3.123 210 H GLN 34 H GLN 34 -1.961 2.650 2.067 211 HA GLN 34 HA GLN 34 -0.642 0.060 2.488 212 HB2 GLN 34 HB2 GLN 34 0.060 1.749 4.095 213 HB3 GLN 34 HB3 GLN 34 -1.612 2.047 4.530 214 HG2 GLN 34 HG2 GLN 34 -1.802 -0.198 5.433 215 HG3 GLN 34 HG3 GLN 34 -0.147 -0.549 4.937 216 HE21 GLN 34 HE21 GLN 34 1.589 0.295 6.162 217 HE22 GLN 34 HE22 GLN 34 1.304 1.052 7.672 218 H CYS 35 H CYS 35 -1.927 -1.619 2.959 219 HA CYS 35 HA CYS 35 -4.752 -1.147 2.613 220 HB2 CYS 35 HB2 CYS 35 -3.543 -3.080 1.486 221 HB3 CYS 35 HB3 CYS 35 -3.443 -3.806 3.084 222 H LEU 36 H LEU 36 -6.062 -0.921 4.203 223 HA LEU 36 HA LEU 36 -5.374 -1.945 6.836 224 HB2 LEU 36 HB2 LEU 36 -6.656 0.678 6.101 225 HB3 LEU 36 HB3 LEU 36 -6.605 0.033 7.731 226 HG LEU 36 HG LEU 36 -4.168 0.724 6.088 227 HD11 LEU 36 HD11 LEU 36 -5.417 2.725 6.682 228 HD12 LEU 36 HD12 LEU 36 -3.927 2.619 7.614 229 HD13 LEU 36 HD13 LEU 36 -5.470 2.211 8.367 230 HD21 LEU 36 HD21 LEU 36 -3.785 -1.071 7.713 231 HD22 LEU 36 HD22 LEU 36 -4.459 -0.062 8.993 232 HD23 LEU 36 HD23 LEU 36 -2.967 0.411 8.186 233 H1 MAN 101 H1 MAN 101 2.261 -8.481 2.937 234 H2 MAN 101 H2 MAN 101 2.231 -6.140 0.972 235 H3 MAN 101 H3 MAN 101 3.384 -7.510 -0.478 236 H4 MAN 101 H4 MAN 101 4.383 -8.966 1.997 237 H5 MAN 101 H5 MAN 101 2.773 -10.025 -0.367 238 H61 MAN 101 H61 MAN 101 1.843 -11.538 1.345 239 H62 MAN 101 H62 MAN 101 2.876 -10.814 2.598 240 HO2 MAN 101 HO2 MAN 101 4.191 -5.809 2.141 241 HO3 MAN 101 HO3 MAN 101 5.615 -7.247 0.006 242 HO4 MAN 101 HO4 MAN 101 5.320 -10.311 0.403 243 HO6 MAN 101 HO6 MAN 101 3.482 -12.758 0.812 Start of MODEL 17 1 H1 THR 1 H1 THR 1 -4.307 -11.784 -3.951 2 H2 THR 1 H2 THR 1 -3.596 -11.932 -2.436 3 H3 THR 1 H3 THR 1 -2.775 -11.103 -3.647 4 HA THR 1 HA THR 1 -4.542 -9.437 -3.599 5 HB THR 1 HB THR 1 -5.982 -9.597 -1.477 6 HG1 THR 1 HG1 THR 1 -6.352 -11.885 -0.928 7 HG21 THR 1 HG21 THR 1 -6.435 -11.582 -3.717 8 HG22 THR 1 HG22 THR 1 -6.897 -9.880 -3.739 9 HG23 THR 1 HG23 THR 1 -7.672 -10.989 -2.609 10 H ALA 2 H ALA 2 -4.308 -7.623 -2.237 11 HA ALA 2 HA ALA 2 -1.729 -7.410 -1.127 12 HB1 ALA 2 HB1 ALA 2 -4.012 -5.443 -0.903 13 HB2 ALA 2 HB2 ALA 2 -2.858 -5.539 -2.232 14 HB3 ALA 2 HB3 ALA 2 -2.302 -5.126 -0.613 15 H SER 3 H SER 3 -1.145 -6.879 0.955 16 HA SER 3 HA SER 3 -2.641 -8.487 2.825 17 HB2 SER 3 HB2 SER 3 -0.379 -8.482 3.951 18 HB3 SER 3 HB3 SER 3 -0.514 -9.312 2.390 19 H HIS 4 H HIS 4 -2.789 -7.865 5.006 20 HA HIS 4 HA HIS 4 -3.565 -5.163 5.423 21 HB2 HIS 4 HB2 HIS 4 -4.598 -7.230 6.499 22 HB3 HIS 4 HB3 HIS 4 -3.169 -7.327 7.507 23 HD1 HIS 4 HD1 HIS 4 -4.514 -6.943 9.670 24 HD2 HIS 4 HD2 HIS 4 -4.927 -3.909 6.884 25 HE1 HIS 4 HE1 HIS 4 -5.663 -5.076 10.886 26 HE2 HIS 4 HE2 HIS 4 -6.224 -3.453 9.063 27 H TYR 5 H TYR 5 -2.236 -3.568 5.814 28 HA TYR 5 HA TYR 5 -0.587 -2.297 6.551 29 HB2 TYR 5 HB2 TYR 5 0.087 -4.625 8.363 30 HB3 TYR 5 HB3 TYR 5 1.129 -3.205 8.257 31 HD1 TYR 5 HD1 TYR 5 -2.340 -4.267 9.087 32 HD2 TYR 5 HD2 TYR 5 0.641 -1.260 9.449 33 HE1 TYR 5 HE1 TYR 5 -3.738 -3.075 10.717 34 HE2 TYR 5 HE2 TYR 5 -0.752 -0.065 11.081 35 HH TYR 5 HH TYR 5 -3.541 -1.494 12.459 36 H GLY 6 H GLY 6 -0.511 -4.233 4.360 37 HA2 GLY 6 HA2 GLY 6 2.342 -3.941 3.776 38 HA3 GLY 6 HA3 GLY 6 1.236 -5.089 3.003 39 H GLN 7 H GLN 7 2.790 -3.151 1.607 40 HA GLN 7 HA GLN 7 1.156 -0.959 0.868 41 HB2 GLN 7 HB2 GLN 7 3.613 -1.001 0.529 42 HB3 GLN 7 HB3 GLN 7 3.412 -2.277 -0.659 43 HG2 GLN 7 HG2 GLN 7 2.249 -0.793 -2.131 44 HG3 GLN 7 HG3 GLN 7 2.272 0.520 -0.965 45 HE21 GLN 7 HE21 GLN 7 3.558 1.948 -2.286 46 HE22 GLN 7 HE22 GLN 7 5.175 1.567 -2.646 47 H CYS 8 H CYS 8 -0.320 -0.790 -0.675 48 HA CYS 8 HA CYS 8 -1.106 -3.298 -2.033 49 HB2 CYS 8 HB2 CYS 8 -3.420 -2.415 -1.811 50 HB3 CYS 8 HB3 CYS 8 -2.615 -2.850 -0.299 51 H GLY 9 H GLY 9 -0.947 0.235 -2.379 52 HA2 GLY 9 HA2 GLY 9 -1.111 -0.063 -5.250 53 HA3 GLY 9 HA3 GLY 9 -2.547 0.644 -4.524 54 H GLY 10 H GLY 10 0.911 0.971 -4.172 55 HA2 GLY 10 HA2 GLY 10 0.516 3.880 -4.179 56 HA3 GLY 10 HA3 GLY 10 1.901 3.046 -3.468 57 H ILE 11 H ILE 11 1.982 5.129 -5.485 58 HA ILE 11 HA ILE 11 2.473 3.963 -8.009 59 HB ILE 11 HB ILE 11 3.696 6.508 -6.881 60 HG12 ILE 11 HG12 ILE 11 1.146 6.150 -8.489 61 HG13 ILE 11 HG13 ILE 11 1.223 6.517 -6.771 62 HG21 ILE 11 HG21 ILE 11 3.277 5.572 -9.722 63 HG22 ILE 11 HG22 ILE 11 4.815 5.652 -8.875 64 HG23 ILE 11 HG23 ILE 11 3.938 7.140 -9.249 65 HD11 ILE 11 HD11 ILE 11 2.287 8.656 -7.275 66 HD12 ILE 11 HD12 ILE 11 0.727 8.500 -8.084 67 HD13 ILE 11 HD13 ILE 11 2.222 8.281 -8.997 68 H GLY 12 H GLY 12 4.019 2.587 -8.472 69 HA2 GLY 12 HA2 GLY 12 6.451 2.224 -8.581 70 HA3 GLY 12 HA3 GLY 12 6.506 2.701 -6.894 71 H TYR 13 H TYR 13 3.803 1.099 -6.806 72 HA TYR 13 HA TYR 13 5.127 -1.370 -6.022 73 HB2 TYR 13 HB2 TYR 13 3.652 -0.269 -4.388 74 HB3 TYR 13 HB3 TYR 13 2.308 -0.391 -5.511 75 HD1 TYR 13 HD1 TYR 13 0.811 -2.094 -5.147 76 HD2 TYR 13 HD2 TYR 13 4.835 -2.636 -3.907 77 HE1 TYR 13 HE1 TYR 13 0.220 -4.276 -4.205 78 HE2 TYR 13 HE2 TYR 13 4.257 -4.822 -2.950 79 HH TYR 13 HH TYR 13 1.120 -6.233 -3.532 80 H SER 14 H SER 14 5.094 -3.107 -7.287 81 HA SER 14 HA SER 14 3.209 -3.168 -9.494 82 HB2 SER 14 HB2 SER 14 5.027 -4.799 -10.342 83 HB3 SER 14 HB3 SER 14 5.363 -3.065 -10.354 84 HG SER 14 HG SER 14 6.574 -5.054 -9.015 85 H GLY 15 H GLY 15 2.987 -4.283 -6.610 86 HA2 GLY 15 HA2 GLY 15 2.653 -7.149 -7.206 87 HA3 GLY 15 HA3 GLY 15 2.644 -6.441 -5.593 88 HA PRO 16 HA PRO 16 -1.780 -7.540 -6.742 89 HB2 PRO 16 HB2 PRO 16 -2.230 -8.125 -4.055 90 HB3 PRO 16 HB3 PRO 16 -1.822 -9.313 -5.299 91 HG2 PRO 16 HG2 PRO 16 0.022 -7.857 -3.420 92 HG3 PRO 16 HG3 PRO 16 -0.029 -9.607 -3.790 93 HD2 PRO 16 HD2 PRO 16 1.780 -8.113 -4.880 94 HD3 PRO 16 HD3 PRO 16 0.867 -9.214 -5.935 95 H THR 17 H THR 17 -2.904 -5.693 -6.962 96 HA THR 17 HA THR 17 -2.710 -3.543 -5.056 97 HB THR 17 HB THR 17 -4.242 -2.443 -6.770 98 HG1 THR 17 HG1 THR 17 -4.993 -3.683 -8.278 99 HG21 THR 17 HG21 THR 17 -1.575 -3.520 -7.724 100 HG22 THR 17 HG22 THR 17 -1.806 -2.064 -6.753 101 HG23 THR 17 HG23 THR 17 -2.419 -2.131 -8.403 102 H VAL 18 H VAL 18 -4.868 -6.082 -5.921 103 HA VAL 18 HA VAL 18 -7.195 -4.940 -4.636 104 HB VAL 18 HB VAL 18 -6.744 -7.771 -5.623 105 HG11 VAL 18 HG11 VAL 18 -9.298 -6.309 -4.960 106 HG12 VAL 18 HG12 VAL 18 -8.576 -7.628 -4.036 107 HG13 VAL 18 HG13 VAL 18 -9.197 -7.924 -5.662 108 HG21 VAL 18 HG21 VAL 18 -6.500 -6.187 -7.455 109 HG22 VAL 18 HG22 VAL 18 -8.035 -5.437 -7.031 110 HG23 VAL 18 HG23 VAL 18 -8.002 -7.097 -7.630 111 H CYS 19 H CYS 19 -7.423 -5.005 -2.492 112 HA CYS 19 HA CYS 19 -5.683 -6.480 -0.813 113 HB2 CYS 19 HB2 CYS 19 -8.065 -4.743 -0.267 114 HB3 CYS 19 HB3 CYS 19 -7.204 -5.617 0.997 115 H ALA 20 H ALA 20 -6.546 -7.644 1.095 116 HA ALA 20 HA ALA 20 -8.021 -9.926 0.214 117 HB1 ALA 20 HB1 ALA 20 -6.013 -10.097 1.646 118 HB2 ALA 20 HB2 ALA 20 -7.426 -10.815 2.414 119 HB3 ALA 20 HB3 ALA 20 -6.856 -9.221 2.916 120 H SER 21 H SER 21 -9.766 -10.768 1.821 121 HA SER 21 HA SER 21 -11.925 -8.980 1.793 122 HB2 SER 21 HB2 SER 21 -11.626 -11.561 3.336 123 HB3 SER 21 HB3 SER 21 -13.135 -10.780 2.863 124 HG SER 21 HG SER 21 -13.003 -11.756 1.081 125 H GLY 22 H GLY 22 -12.142 -7.304 3.132 126 HA2 GLY 22 HA2 GLY 22 -12.750 -6.552 5.318 127 HA3 GLY 22 HA3 GLY 22 -11.663 -7.759 5.994 128 H THR 23 H THR 23 -10.222 -6.306 3.383 129 HA THR 23 HA THR 23 -9.045 -4.234 5.064 130 HB THR 23 HB THR 23 -6.830 -4.714 3.923 131 HG1 THR 23 HG1 THR 23 -8.361 -6.626 2.721 132 HG21 THR 23 HG21 THR 23 -7.958 -6.876 5.702 133 HG22 THR 23 HG22 THR 23 -7.203 -5.377 6.238 134 HG23 THR 23 HG23 THR 23 -6.245 -6.600 5.397 135 H THR 24 H THR 24 -8.343 -2.348 3.951 136 HA THR 24 HA THR 24 -9.211 -2.218 1.177 137 HB THR 24 HB THR 24 -9.997 0.155 1.703 138 HG1 THR 24 HG1 THR 24 -9.292 -0.688 4.237 139 HG21 THR 24 HG21 THR 24 -11.505 -2.172 2.893 140 HG22 THR 24 HG22 THR 24 -11.566 -1.648 1.208 141 HG23 THR 24 HG23 THR 24 -12.212 -0.612 2.479 142 H CYS 25 H CYS 25 -7.962 -1.017 -0.129 143 HA CYS 25 HA CYS 25 -5.309 -0.498 0.786 144 HB2 CYS 25 HB2 CYS 25 -5.803 -1.425 -1.458 145 HB3 CYS 25 HB3 CYS 25 -6.587 0.107 -1.861 146 H GLN 26 H GLN 26 -4.939 1.278 1.971 147 HA GLN 26 HA GLN 26 -6.436 3.618 1.245 148 HB2 GLN 26 HB2 GLN 26 -5.143 2.823 3.836 149 HB3 GLN 26 HB3 GLN 26 -5.922 4.378 3.553 150 HG2 GLN 26 HG2 GLN 26 -8.034 3.234 3.100 151 HG3 GLN 26 HG3 GLN 26 -7.250 1.680 3.354 152 HE21 GLN 26 HE21 GLN 26 -8.579 1.103 4.980 153 HE22 GLN 26 HE22 GLN 26 -8.578 1.810 6.538 154 H VAL 27 H VAL 27 -5.420 5.268 0.472 155 HA VAL 27 HA VAL 27 -2.605 5.168 -0.068 156 HB VAL 27 HB VAL 27 -4.665 7.328 -0.646 157 HG11 VAL 27 HG11 VAL 27 -1.880 6.981 -1.754 158 HG12 VAL 27 HG12 VAL 27 -2.400 8.236 -0.632 159 HG13 VAL 27 HG13 VAL 27 -3.050 8.196 -2.275 160 HG21 VAL 27 HG21 VAL 27 -4.637 6.455 -2.940 161 HG22 VAL 27 HG22 VAL 27 -5.188 5.242 -1.785 162 HG23 VAL 27 HG23 VAL 27 -3.547 5.169 -2.430 163 H LEU 28 H LEU 28 -1.243 5.672 1.494 164 HA LEU 28 HA LEU 28 -2.012 7.556 3.585 165 HB2 LEU 28 HB2 LEU 28 0.630 6.118 3.240 166 HB3 LEU 28 HB3 LEU 28 0.052 6.918 4.681 167 HG LEU 28 HG LEU 28 -0.926 4.315 3.519 168 HD11 LEU 28 HD11 LEU 28 -0.144 3.382 5.618 169 HD12 LEU 28 HD12 LEU 28 0.396 4.978 6.133 170 HD13 LEU 28 HD13 LEU 28 1.160 4.195 4.750 171 HD21 LEU 28 HD21 LEU 28 -1.967 5.846 5.883 172 HD22 LEU 28 HD22 LEU 28 -2.369 4.177 5.478 173 HD23 LEU 28 HD23 LEU 28 -2.852 5.490 4.388 174 H ASN 29 H ASN 29 0.419 7.033 1.130 175 HA ASN 29 HA ASN 29 0.898 9.891 0.873 176 HB2 ASN 29 HB2 ASN 29 2.987 7.661 0.866 177 HB3 ASN 29 HB3 ASN 29 3.281 9.358 0.518 178 HD21 ASN 29 HD21 ASN 29 4.483 7.633 2.536 179 HD22 ASN 29 HD22 ASN 29 4.190 8.393 4.045 180 HA PRO 30 HA PRO 30 0.179 8.893 -3.379 181 HB2 PRO 30 HB2 PRO 30 2.581 9.739 -4.613 182 HB3 PRO 30 HB3 PRO 30 1.043 10.581 -4.580 183 HG2 PRO 30 HG2 PRO 30 3.419 11.279 -3.203 184 HG3 PRO 30 HG3 PRO 30 1.841 12.058 -3.059 185 HD2 PRO 30 HD2 PRO 30 3.221 10.343 -1.209 186 HD3 PRO 30 HD3 PRO 30 1.720 11.241 -0.948 187 H TYR 31 H TYR 31 3.529 8.058 -2.536 188 HA TYR 31 HA TYR 31 3.398 5.925 -4.510 189 HB2 TYR 31 HB2 TYR 31 5.769 6.785 -2.798 190 HB3 TYR 31 HB3 TYR 31 5.788 5.636 -4.115 191 HD1 TYR 31 HD1 TYR 31 6.331 6.351 -6.256 192 HD2 TYR 31 HD2 TYR 31 5.022 9.235 -3.427 193 HE1 TYR 31 HE1 TYR 31 6.850 8.153 -7.851 194 HE2 TYR 31 HE2 TYR 31 5.539 11.034 -5.004 195 HH TYR 31 HH TYR 31 6.493 10.339 -8.300 196 H TYR 32 H TYR 32 3.343 6.469 -1.063 197 HA TYR 32 HA TYR 32 3.348 3.567 -0.718 198 HB2 TYR 32 HB2 TYR 32 4.952 4.895 0.672 199 HB3 TYR 32 HB3 TYR 32 3.568 5.629 1.474 200 HD1 TYR 32 HD1 TYR 32 5.199 2.378 0.786 201 HD2 TYR 32 HD2 TYR 32 2.552 4.543 3.300 202 HE1 TYR 32 HE1 TYR 32 5.163 0.490 2.346 203 HE2 TYR 32 HE2 TYR 32 2.484 2.658 4.880 204 HH TYR 32 HH TYR 32 2.977 0.304 5.047 205 H SER 33 H SER 33 1.453 2.655 -0.761 206 HA SER 33 HA SER 33 -0.753 3.889 0.724 207 HB2 SER 33 HB2 SER 33 -1.015 2.190 -1.782 208 HB3 SER 33 HB3 SER 33 -2.312 3.010 -0.919 209 HG SER 33 HG SER 33 -1.563 4.109 -2.808 210 H GLN 34 H GLN 34 -1.759 2.435 2.103 211 HA GLN 34 HA GLN 34 -0.500 -0.211 2.190 212 HB2 GLN 34 HB2 GLN 34 0.496 1.372 3.809 213 HB3 GLN 34 HB3 GLN 34 -1.094 1.607 4.512 214 HG2 GLN 34 HG2 GLN 34 -1.169 -0.691 5.191 215 HG3 GLN 34 HG3 GLN 34 0.377 -1.004 4.399 216 HE21 GLN 34 HE21 GLN 34 -1.201 0.470 7.070 217 HE22 GLN 34 HE22 GLN 34 0.225 0.782 7.994 218 H CYS 35 H CYS 35 -1.833 -1.863 2.835 219 HA CYS 35 HA CYS 35 -4.635 -1.232 2.570 220 HB2 CYS 35 HB2 CYS 35 -3.494 -3.229 1.434 221 HB3 CYS 35 HB3 CYS 35 -3.506 -3.971 3.024 222 H LEU 36 H LEU 36 -5.938 -0.949 4.129 223 HA LEU 36 HA LEU 36 -5.355 -2.007 6.772 224 HB2 LEU 36 HB2 LEU 36 -6.364 0.749 6.049 225 HB3 LEU 36 HB3 LEU 36 -6.287 0.102 7.673 226 HG LEU 36 HG LEU 36 -3.859 0.519 5.926 227 HD11 LEU 36 HD11 LEU 36 -3.385 2.440 7.322 228 HD12 LEU 36 HD12 LEU 36 -4.890 2.189 8.204 229 HD13 LEU 36 HD13 LEU 36 -4.935 2.652 6.499 230 HD21 LEU 36 HD21 LEU 36 -2.679 0.254 8.086 231 HD22 LEU 36 HD22 LEU 36 -3.528 -1.197 7.566 232 HD23 LEU 36 HD23 LEU 36 -4.218 -0.176 8.829 233 H1 MAN 101 H1 MAN 101 2.022 -8.654 3.062 234 H2 MAN 101 H2 MAN 101 2.733 -6.247 2.291 235 H3 MAN 101 H3 MAN 101 2.953 -5.759 0.144 236 H4 MAN 101 H4 MAN 101 1.606 -7.108 -1.551 237 H5 MAN 101 H5 MAN 101 -0.010 -8.728 -0.194 238 H61 MAN 101 H61 MAN 101 1.443 -9.241 -2.215 239 H62 MAN 101 H62 MAN 101 1.058 -10.632 -1.189 240 HO2 MAN 101 HO2 MAN 101 4.083 -8.635 1.541 241 HO3 MAN 101 HO3 MAN 101 3.691 -8.432 -0.504 242 HO4 MAN 101 HO4 MAN 101 0.659 -5.445 -0.363 243 HO6 MAN 101 HO6 MAN 101 3.147 -10.551 -0.328 Start of MODEL 18 1 H1 THR 1 H1 THR 1 -3.384 -11.069 -3.996 2 H2 THR 1 H2 THR 1 -4.862 -11.857 -3.782 3 H3 THR 1 H3 THR 1 -3.639 -12.029 -2.623 4 HA THR 1 HA THR 1 -5.078 -9.560 -3.252 5 HB THR 1 HB THR 1 -5.787 -9.877 -0.829 6 HG1 THR 1 HG1 THR 1 -5.775 -12.425 -0.570 7 HG21 THR 1 HG21 THR 1 -6.771 -11.941 -2.816 8 HG22 THR 1 HG22 THR 1 -7.332 -10.274 -2.724 9 HG23 THR 1 HG23 THR 1 -7.647 -11.382 -1.393 10 H ALA 2 H ALA 2 -4.495 -7.810 -1.913 11 HA ALA 2 HA ALA 2 -1.744 -7.777 -1.124 12 HB1 ALA 2 HB1 ALA 2 -2.116 -5.414 -0.624 13 HB2 ALA 2 HB2 ALA 2 -3.847 -5.602 -0.916 14 HB3 ALA 2 HB3 ALA 2 -2.690 -5.831 -2.232 15 H SER 3 H SER 3 -1.048 -7.248 0.922 16 HA SER 3 HA SER 3 -2.459 -8.729 2.933 17 HB2 SER 3 HB2 SER 3 -0.125 -8.294 4.027 18 HB3 SER 3 HB3 SER 3 -0.274 -9.425 2.668 19 H HIS 4 H HIS 4 -3.045 -7.982 4.870 20 HA HIS 4 HA HIS 4 -3.814 -5.294 5.241 21 HB2 HIS 4 HB2 HIS 4 -4.802 -7.393 6.294 22 HB3 HIS 4 HB3 HIS 4 -3.403 -7.404 7.347 23 HD1 HIS 4 HD1 HIS 4 -4.872 -7.135 9.444 24 HD2 HIS 4 HD2 HIS 4 -5.275 -4.032 6.704 25 HE1 HIS 4 HE1 HIS 4 -6.236 -5.377 10.599 26 HE2 HIS 4 HE2 HIS 4 -6.747 -3.736 8.803 27 H TYR 5 H TYR 5 -2.651 -3.624 5.927 28 HA TYR 5 HA TYR 5 -1.106 -2.325 6.834 29 HB2 TYR 5 HB2 TYR 5 -0.134 -4.803 8.264 30 HB3 TYR 5 HB3 TYR 5 0.656 -3.241 8.427 31 HD1 TYR 5 HD1 TYR 5 -0.515 -1.387 9.559 32 HD2 TYR 5 HD2 TYR 5 -2.187 -5.294 9.380 33 HE1 TYR 5 HE1 TYR 5 -2.032 -0.816 11.411 34 HE2 TYR 5 HE2 TYR 5 -3.700 -4.731 11.224 35 HH TYR 5 HH TYR 5 -4.210 -1.569 12.284 36 H GLY 6 H GLY 6 -0.726 -4.364 4.515 37 HA2 GLY 6 HA2 GLY 6 2.125 -3.894 4.078 38 HA3 GLY 6 HA3 GLY 6 1.062 -4.999 3.196 39 H GLN 7 H GLN 7 2.705 -3.178 1.905 40 HA GLN 7 HA GLN 7 1.218 -0.890 1.113 41 HB2 GLN 7 HB2 GLN 7 3.697 -1.095 0.864 42 HB3 GLN 7 HB3 GLN 7 3.449 -2.322 -0.369 43 HG2 GLN 7 HG2 GLN 7 2.353 -0.661 -1.798 44 HG3 GLN 7 HG3 GLN 7 2.591 0.566 -0.553 45 HE21 GLN 7 HE21 GLN 7 3.927 1.876 -1.986 46 HE22 GLN 7 HE22 GLN 7 5.493 1.337 -2.374 47 H CYS 8 H CYS 8 -0.368 -0.751 -0.347 48 HA CYS 8 HA CYS 8 -1.081 -3.259 -1.758 49 HB2 CYS 8 HB2 CYS 8 -3.407 -2.616 -1.427 50 HB3 CYS 8 HB3 CYS 8 -2.490 -2.867 0.064 51 H GLY 9 H GLY 9 -0.347 0.024 -2.366 52 HA2 GLY 9 HA2 GLY 9 -0.836 -0.185 -5.112 53 HA3 GLY 9 HA3 GLY 9 -2.320 0.383 -4.376 54 H GLY 10 H GLY 10 1.108 1.093 -4.217 55 HA2 GLY 10 HA2 GLY 10 0.403 3.947 -4.261 56 HA3 GLY 10 HA3 GLY 10 1.925 3.287 -3.657 57 H ILE 11 H ILE 11 2.103 5.248 -5.510 58 HA ILE 11 HA ILE 11 2.204 4.196 -8.132 59 HB ILE 11 HB ILE 11 3.688 6.607 -7.014 60 HG12 ILE 11 HG12 ILE 11 1.059 6.460 -8.519 61 HG13 ILE 11 HG13 ILE 11 1.224 6.754 -6.793 62 HG21 ILE 11 HG21 ILE 11 3.839 7.328 -9.370 63 HG22 ILE 11 HG22 ILE 11 3.098 5.812 -9.877 64 HG23 ILE 11 HG23 ILE 11 4.679 5.802 -9.095 65 HD11 ILE 11 HD11 ILE 11 2.397 8.842 -7.267 66 HD12 ILE 11 HD12 ILE 11 0.803 8.803 -8.024 67 HD13 ILE 11 HD13 ILE 11 2.248 8.534 -8.995 68 H GLY 12 H GLY 12 3.669 2.895 -8.981 69 HA2 GLY 12 HA2 GLY 12 5.890 2.183 -9.428 70 HA3 GLY 12 HA3 GLY 12 6.393 2.861 -7.882 71 H TYR 13 H TYR 13 3.611 1.376 -7.239 72 HA TYR 13 HA TYR 13 4.972 -1.090 -6.493 73 HB2 TYR 13 HB2 TYR 13 3.962 0.052 -4.608 74 HB3 TYR 13 HB3 TYR 13 2.425 0.168 -5.450 75 HD1 TYR 13 HD1 TYR 13 0.814 -1.435 -5.094 76 HD2 TYR 13 HD2 TYR 13 4.840 -2.368 -4.133 77 HE1 TYR 13 HE1 TYR 13 0.079 -3.534 -4.103 78 HE2 TYR 13 HE2 TYR 13 4.107 -4.490 -3.123 79 HH TYR 13 HH TYR 13 0.769 -5.537 -3.420 80 H SER 14 H SER 14 4.793 -2.557 -7.992 81 HA SER 14 HA SER 14 2.383 -2.693 -9.607 82 HB2 SER 14 HB2 SER 14 3.921 -4.128 -11.045 83 HB3 SER 14 HB3 SER 14 4.315 -2.413 -10.922 84 HG SER 14 HG SER 14 5.575 -4.634 -9.753 85 H GLY 15 H GLY 15 3.472 -4.034 -6.870 86 HA2 GLY 15 HA2 GLY 15 2.993 -6.839 -7.273 87 HA3 GLY 15 HA3 GLY 15 3.076 -6.020 -5.717 88 HA PRO 16 HA PRO 16 -1.309 -7.688 -6.272 89 HB2 PRO 16 HB2 PRO 16 -1.405 -8.048 -3.504 90 HB3 PRO 16 HB3 PRO 16 -0.986 -9.308 -4.675 91 HG2 PRO 16 HG2 PRO 16 0.835 -7.465 -3.160 92 HG3 PRO 16 HG3 PRO 16 0.982 -9.237 -3.353 93 HD2 PRO 16 HD2 PRO 16 2.469 -7.683 -4.785 94 HD3 PRO 16 HD3 PRO 16 1.581 -8.971 -5.629 95 H THR 17 H THR 17 -2.600 -5.908 -6.562 96 HA THR 17 HA THR 17 -2.485 -3.783 -4.603 97 HB THR 17 HB THR 17 -3.854 -2.578 -6.402 98 HG1 THR 17 HG1 THR 17 -4.037 -3.524 -8.315 99 HG21 THR 17 HG21 THR 17 -1.850 -2.057 -7.738 100 HG22 THR 17 HG22 THR 17 -1.041 -3.478 -7.075 101 HG23 THR 17 HG23 THR 17 -1.460 -2.132 -6.019 102 H VAL 18 H VAL 18 -4.611 -6.189 -5.942 103 HA VAL 18 HA VAL 18 -7.016 -5.142 -4.775 104 HB VAL 18 HB VAL 18 -6.411 -7.979 -5.683 105 HG11 VAL 18 HG11 VAL 18 -9.065 -6.617 -5.212 106 HG12 VAL 18 HG12 VAL 18 -8.350 -7.889 -4.219 107 HG13 VAL 18 HG13 VAL 18 -8.843 -8.239 -5.875 108 HG21 VAL 18 HG21 VAL 18 -6.113 -6.385 -7.510 109 HG22 VAL 18 HG22 VAL 18 -7.717 -5.722 -7.208 110 HG23 VAL 18 HG23 VAL 18 -7.543 -7.381 -7.777 111 H CYS 19 H CYS 19 -7.300 -5.063 -2.625 112 HA CYS 19 HA CYS 19 -5.667 -6.461 -0.784 113 HB2 CYS 19 HB2 CYS 19 -8.073 -4.698 -0.422 114 HB3 CYS 19 HB3 CYS 19 -7.311 -5.546 0.921 115 H ALA 20 H ALA 20 -6.499 -7.629 1.095 116 HA ALA 20 HA ALA 20 -7.832 -9.998 0.250 117 HB1 ALA 20 HB1 ALA 20 -6.803 -9.139 2.952 118 HB2 ALA 20 HB2 ALA 20 -5.871 -10.000 1.742 119 HB3 ALA 20 HB3 ALA 20 -7.265 -10.779 2.501 120 H SER 21 H SER 21 -9.441 -10.936 1.987 121 HA SER 21 HA SER 21 -11.807 -9.435 1.812 122 HB2 SER 21 HB2 SER 21 -11.215 -11.832 3.552 123 HB3 SER 21 HB3 SER 21 -12.793 -11.286 2.975 124 HG SER 21 HG SER 21 -11.967 -11.634 0.822 125 H GLY 22 H GLY 22 -12.284 -7.723 3.035 126 HA2 GLY 22 HA2 GLY 22 -12.937 -6.763 5.066 127 HA3 GLY 22 HA3 GLY 22 -11.878 -7.881 5.914 128 H THR 23 H THR 23 -10.324 -6.504 3.269 129 HA THR 23 HA THR 23 -9.223 -4.417 5.001 130 HB THR 23 HB THR 23 -6.982 -4.815 3.897 131 HG1 THR 23 HG1 THR 23 -8.482 -6.662 2.517 132 HG21 THR 23 HG21 THR 23 -8.167 -7.129 5.425 133 HG22 THR 23 HG22 THR 23 -7.403 -5.693 6.116 134 HG23 THR 23 HG23 THR 23 -6.447 -6.837 5.177 135 H THR 24 H THR 24 -8.512 -2.516 4.005 136 HA THR 24 HA THR 24 -9.440 -2.158 1.250 137 HB THR 24 HB THR 24 -10.164 0.212 1.999 138 HG1 THR 24 HG1 THR 24 -9.332 -0.560 4.380 139 HG21 THR 24 HG21 THR 24 -11.755 -2.203 2.849 140 HG22 THR 24 HG22 THR 24 -11.720 -1.505 1.232 141 HG23 THR 24 HG23 THR 24 -12.407 -0.588 2.575 142 H CYS 25 H CYS 25 -8.204 -0.886 -0.046 143 HA CYS 25 HA CYS 25 -5.525 -0.455 0.921 144 HB2 CYS 25 HB2 CYS 25 -6.032 -1.416 -1.344 145 HB3 CYS 25 HB3 CYS 25 -6.676 0.173 -1.785 146 H GLN 26 H GLN 26 -4.910 1.400 1.901 147 HA GLN 26 HA GLN 26 -6.403 3.776 1.210 148 HB2 GLN 26 HB2 GLN 26 -5.001 3.013 3.757 149 HB3 GLN 26 HB3 GLN 26 -5.829 4.537 3.515 150 HG2 GLN 26 HG2 GLN 26 -7.914 3.098 3.070 151 HG3 GLN 26 HG3 GLN 26 -6.970 1.767 3.720 152 HE21 GLN 26 HE21 GLN 26 -8.269 1.444 5.544 153 HE22 GLN 26 HE22 GLN 26 -8.359 2.616 6.797 154 H VAL 27 H VAL 27 -5.195 5.083 -0.049 155 HA VAL 27 HA VAL 27 -2.355 4.958 -0.170 156 HB VAL 27 HB VAL 27 -4.287 7.048 -1.257 157 HG11 VAL 27 HG11 VAL 27 -1.355 6.662 -1.873 158 HG12 VAL 27 HG12 VAL 27 -2.049 8.010 -0.974 159 HG13 VAL 27 HG13 VAL 27 -2.436 7.798 -2.681 160 HG21 VAL 27 HG21 VAL 27 -4.543 4.810 -2.251 161 HG22 VAL 27 HG22 VAL 27 -2.829 4.807 -2.650 162 HG23 VAL 27 HG23 VAL 27 -3.904 5.976 -3.410 163 H LEU 28 H LEU 28 -0.999 5.768 1.222 164 HA LEU 28 HA LEU 28 -1.932 7.746 3.173 165 HB2 LEU 28 HB2 LEU 28 0.524 5.993 3.153 166 HB3 LEU 28 HB3 LEU 28 0.099 7.103 4.435 167 HG LEU 28 HG LEU 28 -1.533 4.685 3.636 168 HD11 LEU 28 HD11 LEU 28 0.306 5.160 5.964 169 HD12 LEU 28 HD12 LEU 28 0.569 4.053 4.612 170 HD13 LEU 28 HD13 LEU 28 -0.741 3.756 5.755 171 HD21 LEU 28 HD21 LEU 28 -2.706 5.107 5.723 172 HD22 LEU 28 HD22 LEU 28 -2.874 6.469 4.600 173 HD23 LEU 28 HD23 LEU 28 -1.733 6.561 5.955 174 H ASN 29 H ASN 29 0.768 7.022 1.059 175 HA ASN 29 HA ASN 29 1.409 9.873 0.820 176 HB2 ASN 29 HB2 ASN 29 3.367 7.517 0.727 177 HB3 ASN 29 HB3 ASN 29 3.744 9.210 0.473 178 HD21 ASN 29 HD21 ASN 29 4.806 7.294 2.411 179 HD22 ASN 29 HD22 ASN 29 4.548 7.992 3.964 180 HA PRO 30 HA PRO 30 0.718 9.042 -3.442 181 HB2 PRO 30 HB2 PRO 30 3.085 9.776 -4.769 182 HB3 PRO 30 HB3 PRO 30 1.687 10.800 -4.467 183 HG2 PRO 30 HG2 PRO 30 4.295 10.850 -3.197 184 HG3 PRO 30 HG3 PRO 30 2.985 12.026 -3.104 185 HD2 PRO 30 HD2 PRO 30 3.823 10.200 -1.143 186 HD3 PRO 30 HD3 PRO 30 2.420 11.251 -1.030 187 H TYR 31 H TYR 31 3.845 7.835 -2.385 188 HA TYR 31 HA TYR 31 3.612 5.711 -4.378 189 HB2 TYR 31 HB2 TYR 31 6.011 6.552 -2.709 190 HB3 TYR 31 HB3 TYR 31 6.006 5.253 -3.888 191 HD1 TYR 31 HD1 TYR 31 6.472 5.717 -6.167 192 HD2 TYR 31 HD2 TYR 31 5.481 8.944 -3.577 193 HE1 TYR 31 HE1 TYR 31 7.013 7.324 -7.948 194 HE2 TYR 31 HE2 TYR 31 6.022 10.540 -5.352 195 HH TYR 31 HH TYR 31 7.304 10.668 -7.363 196 H TYR 32 H TYR 32 3.405 6.324 -0.992 197 HA TYR 32 HA TYR 32 3.426 3.444 -0.470 198 HB2 TYR 32 HB2 TYR 32 4.960 4.761 0.944 199 HB3 TYR 32 HB3 TYR 32 3.594 5.678 1.563 200 HD1 TYR 32 HD1 TYR 32 4.828 2.192 1.257 201 HD2 TYR 32 HD2 TYR 32 2.525 4.947 3.555 202 HE1 TYR 32 HE1 TYR 32 4.562 0.507 3.004 203 HE2 TYR 32 HE2 TYR 32 2.263 3.266 5.302 204 HH TYR 32 HH TYR 32 4.112 0.470 5.467 205 H SER 33 H SER 33 1.555 2.497 -0.481 206 HA SER 33 HA SER 33 -0.724 3.837 0.796 207 HB2 SER 33 HB2 SER 33 -0.890 1.954 -1.582 208 HB3 SER 33 HB3 SER 33 -2.199 2.889 -0.859 209 HG SER 33 HG SER 33 -1.219 3.787 -2.808 210 H GLN 34 H GLN 34 -1.740 2.521 2.308 211 HA GLN 34 HA GLN 34 -0.513 -0.136 2.635 212 HB2 GLN 34 HB2 GLN 34 0.201 1.645 4.273 213 HB3 GLN 34 HB3 GLN 34 -1.465 1.719 4.819 214 HG2 GLN 34 HG2 GLN 34 -1.345 -0.614 5.489 215 HG3 GLN 34 HG3 GLN 34 0.326 -0.685 4.942 216 HE21 GLN 34 HE21 GLN 34 1.174 -1.155 6.913 217 HE22 GLN 34 HE22 GLN 34 1.207 -0.044 8.226 218 H CYS 35 H CYS 35 -1.922 -1.802 3.062 219 HA CYS 35 HA CYS 35 -4.721 -1.161 2.651 220 HB2 CYS 35 HB2 CYS 35 -3.606 -3.167 1.514 221 HB3 CYS 35 HB3 CYS 35 -3.668 -3.949 3.087 222 H LEU 36 H LEU 36 -5.935 -0.663 4.177 223 HA LEU 36 HA LEU 36 -5.659 -1.926 6.786 224 HB2 LEU 36 HB2 LEU 36 -6.323 0.963 6.175 225 HB3 LEU 36 HB3 LEU 36 -6.223 0.241 7.771 226 HG LEU 36 HG LEU 36 -3.859 0.466 5.907 227 HD11 LEU 36 HD11 LEU 36 -3.157 2.363 7.276 228 HD12 LEU 36 HD12 LEU 36 -4.683 2.288 8.153 229 HD13 LEU 36 HD13 LEU 36 -4.670 2.686 6.430 230 HD21 LEU 36 HD21 LEU 36 -3.661 -1.256 7.625 231 HD22 LEU 36 HD22 LEU 36 -4.074 -0.076 8.867 232 HD23 LEU 36 HD23 LEU 36 -2.573 0.091 7.957 233 H1 MAN 101 H1 MAN 101 1.492 -9.241 1.473 234 H2 MAN 101 H2 MAN 101 2.293 -8.540 3.835 235 H3 MAN 101 H3 MAN 101 2.522 -6.182 3.619 236 H4 MAN 101 H4 MAN 101 4.603 -6.660 1.413 237 H5 MAN 101 H5 MAN 101 1.768 -5.603 1.098 238 H61 MAN 101 H61 MAN 101 3.550 -4.813 -0.480 239 H62 MAN 101 H62 MAN 101 2.193 -5.641 -1.273 240 HO2 MAN 101 HO2 MAN 101 4.412 -9.063 3.351 241 HO3 MAN 101 HO3 MAN 101 5.123 -7.327 3.411 242 HO4 MAN 101 HO4 MAN 101 4.748 -4.751 2.668 243 HO6 MAN 101 HO6 MAN 101 3.602 -7.589 -0.861 Start of MODEL 19 1 H1 THR 1 H1 THR 1 -2.652 -12.043 -3.584 2 H2 THR 1 H2 THR 1 -1.979 -11.873 -2.033 3 H3 THR 1 H3 THR 1 -1.356 -10.964 -3.303 4 HA THR 1 HA THR 1 -3.539 -9.851 -3.469 5 HB THR 1 HB THR 1 -4.163 -11.261 -0.892 6 HG1 THR 1 HG1 THR 1 -5.177 -12.882 -2.101 7 HG21 THR 1 HG21 THR 1 -5.906 -10.118 -3.088 8 HG22 THR 1 HG22 THR 1 -5.523 -9.316 -1.569 9 HG23 THR 1 HG23 THR 1 -6.481 -10.798 -1.566 10 H ALA 2 H ALA 2 -3.823 -7.938 -2.089 11 HA ALA 2 HA ALA 2 -1.427 -7.322 -0.652 12 HB1 ALA 2 HB1 ALA 2 -3.933 -5.676 -1.057 13 HB2 ALA 2 HB2 ALA 2 -2.494 -5.643 -2.075 14 HB3 ALA 2 HB3 ALA 2 -2.399 -5.091 -0.404 15 H SER 3 H SER 3 -1.116 -7.375 1.469 16 HA SER 3 HA SER 3 -3.118 -8.669 3.086 17 HB2 SER 3 HB2 SER 3 -1.179 -8.714 4.644 18 HB3 SER 3 HB3 SER 3 -0.853 -9.493 3.083 19 H HIS 4 H HIS 4 -3.199 -7.868 5.346 20 HA HIS 4 HA HIS 4 -3.871 -5.112 5.542 21 HB2 HIS 4 HB2 HIS 4 -4.852 -7.058 6.889 22 HB3 HIS 4 HB3 HIS 4 -3.330 -7.118 7.748 23 HD1 HIS 4 HD1 HIS 4 -4.596 -6.605 9.949 24 HD2 HIS 4 HD2 HIS 4 -4.890 -3.644 7.079 25 HE1 HIS 4 HE1 HIS 4 -5.584 -4.635 11.131 26 HE2 HIS 4 HE2 HIS 4 -6.109 -3.054 9.286 27 H TYR 5 H TYR 5 -2.415 -3.519 5.843 28 HA TYR 5 HA TYR 5 -0.620 -2.345 6.485 29 HB2 TYR 5 HB2 TYR 5 0.163 -4.819 8.041 30 HB3 TYR 5 HB3 TYR 5 1.209 -3.408 7.944 31 HD1 TYR 5 HD1 TYR 5 -1.810 -4.813 9.418 32 HD2 TYR 5 HD2 TYR 5 0.511 -1.292 8.932 33 HE1 TYR 5 HE1 TYR 5 -3.020 -3.757 11.282 34 HE2 TYR 5 HE2 TYR 5 -0.681 -0.233 10.775 35 HH TYR 5 HH TYR 5 -2.651 -1.945 12.917 36 H GLY 6 H GLY 6 -0.822 -4.288 4.190 37 HA2 GLY 6 HA2 GLY 6 2.003 -4.209 3.437 38 HA3 GLY 6 HA3 GLY 6 0.743 -5.161 2.649 39 H GLN 7 H GLN 7 2.571 -3.262 1.422 40 HA GLN 7 HA GLN 7 1.117 -0.916 0.768 41 HB2 GLN 7 HB2 GLN 7 3.606 -1.184 0.462 42 HB3 GLN 7 HB3 GLN 7 3.277 -2.308 -0.848 43 HG2 GLN 7 HG2 GLN 7 2.154 -0.509 -2.090 44 HG3 GLN 7 HG3 GLN 7 2.522 0.611 -0.782 45 HE21 GLN 7 HE21 GLN 7 3.814 1.977 -2.129 46 HE22 GLN 7 HE22 GLN 7 5.323 1.448 -2.692 47 H CYS 8 H CYS 8 -0.574 -0.764 -0.544 48 HA CYS 8 HA CYS 8 -1.278 -3.173 -2.102 49 HB2 CYS 8 HB2 CYS 8 -3.596 -2.450 -1.786 50 HB3 CYS 8 HB3 CYS 8 -2.748 -2.840 -0.283 51 H GLY 9 H GLY 9 -0.178 -0.113 -2.709 52 HA2 GLY 9 HA2 GLY 9 -0.604 -0.137 -5.419 53 HA3 GLY 9 HA3 GLY 9 -2.100 0.495 -4.765 54 H GLY 10 H GLY 10 1.347 1.013 -4.308 55 HA2 GLY 10 HA2 GLY 10 0.780 3.905 -4.333 56 HA3 GLY 10 HA3 GLY 10 2.203 3.164 -3.579 57 H ILE 11 H ILE 11 2.440 5.200 -5.448 58 HA ILE 11 HA ILE 11 2.775 4.332 -8.083 59 HB ILE 11 HB ILE 11 4.370 6.500 -6.674 60 HG12 ILE 11 HG12 ILE 11 1.768 6.675 -8.228 61 HG13 ILE 11 HG13 ILE 11 1.936 6.827 -6.489 62 HG21 ILE 11 HG21 ILE 11 5.373 5.815 -8.795 63 HG22 ILE 11 HG22 ILE 11 4.673 7.430 -8.947 64 HG23 ILE 11 HG23 ILE 11 3.829 6.031 -9.613 65 HD11 ILE 11 HD11 ILE 11 3.263 8.857 -6.780 66 HD12 ILE 11 HD12 ILE 11 1.674 8.996 -7.532 67 HD13 ILE 11 HD13 ILE 11 3.099 8.710 -8.530 68 H GLY 12 H GLY 12 4.064 2.879 -8.885 69 HA2 GLY 12 HA2 GLY 12 6.277 2.119 -9.419 70 HA3 GLY 12 HA3 GLY 12 6.770 2.557 -7.788 71 H TYR 13 H TYR 13 4.076 1.307 -6.976 72 HA TYR 13 HA TYR 13 5.195 -1.298 -6.466 73 HB2 TYR 13 HB2 TYR 13 4.054 -0.226 -4.634 74 HB3 TYR 13 HB3 TYR 13 2.621 0.035 -5.612 75 HD1 TYR 13 HD1 TYR 13 4.726 -2.708 -4.197 76 HD2 TYR 13 HD2 TYR 13 0.883 -1.467 -5.495 77 HE1 TYR 13 HE1 TYR 13 3.757 -4.803 -3.341 78 HE2 TYR 13 HE2 TYR 13 -0.088 -3.545 -4.656 79 HH TYR 13 HH TYR 13 0.397 -5.616 -3.951 80 H SER 14 H SER 14 5.054 -2.770 -7.918 81 HA SER 14 HA SER 14 2.818 -2.809 -9.795 82 HB2 SER 14 HB2 SER 14 4.485 -4.217 -11.101 83 HB3 SER 14 HB3 SER 14 4.895 -2.514 -10.883 84 HG SER 14 HG SER 14 6.478 -4.347 -10.392 85 H GLY 15 H GLY 15 3.011 -3.976 -7.003 86 HA2 GLY 15 HA2 GLY 15 2.763 -6.832 -7.561 87 HA3 GLY 15 HA3 GLY 15 2.726 -6.091 -5.965 88 HA PRO 16 HA PRO 16 -1.636 -7.385 -7.043 89 HB2 PRO 16 HB2 PRO 16 -2.018 -8.088 -4.385 90 HB3 PRO 16 HB3 PRO 16 -1.528 -9.207 -5.664 91 HG2 PRO 16 HG2 PRO 16 0.225 -7.668 -3.752 92 HG3 PRO 16 HG3 PRO 16 0.283 -9.412 -4.150 93 HD2 PRO 16 HD2 PRO 16 1.977 -7.778 -5.216 94 HD3 PRO 16 HD3 PRO 16 1.146 -8.940 -6.275 95 H THR 17 H THR 17 -3.025 -5.685 -7.039 96 HA THR 17 HA THR 17 -2.769 -3.635 -4.989 97 HB THR 17 HB THR 17 -4.331 -2.419 -6.691 98 HG1 THR 17 HG1 THR 17 -3.342 -3.555 -8.832 99 HG21 THR 17 HG21 THR 17 -1.973 -1.820 -6.278 100 HG22 THR 17 HG22 THR 17 -2.374 -1.684 -7.988 101 HG23 THR 17 HG23 THR 17 -1.460 -3.077 -7.404 102 H VAL 18 H VAL 18 -4.651 -6.283 -5.700 103 HA VAL 18 HA VAL 18 -7.104 -5.227 -4.555 104 HB VAL 18 HB VAL 18 -6.386 -8.043 -5.461 105 HG11 VAL 18 HG11 VAL 18 -9.065 -6.947 -4.610 106 HG12 VAL 18 HG12 VAL 18 -8.090 -8.144 -3.753 107 HG13 VAL 18 HG13 VAL 18 -8.785 -8.536 -5.324 108 HG21 VAL 18 HG21 VAL 18 -8.099 -5.939 -6.786 109 HG22 VAL 18 HG22 VAL 18 -7.852 -7.584 -7.375 110 HG23 VAL 18 HG23 VAL 18 -6.497 -6.455 -7.309 111 H CYS 19 H CYS 19 -7.657 -5.434 -2.450 112 HA CYS 19 HA CYS 19 -5.753 -6.632 -0.622 113 HB2 CYS 19 HB2 CYS 19 -8.163 -4.884 -0.236 114 HB3 CYS 19 HB3 CYS 19 -7.330 -5.669 1.088 115 H ALA 20 H ALA 20 -6.581 -7.832 1.209 116 HA ALA 20 HA ALA 20 -8.262 -10.003 0.446 117 HB1 ALA 20 HB1 ALA 20 -7.018 -9.232 3.086 118 HB2 ALA 20 HB2 ALA 20 -6.342 -10.346 1.890 119 HB3 ALA 20 HB3 ALA 20 -7.820 -10.768 2.755 120 H SER 21 H SER 21 -10.146 -10.625 1.881 121 HA SER 21 HA SER 21 -11.913 -8.397 2.021 122 HB2 SER 21 HB2 SER 21 -12.351 -11.260 2.901 123 HB3 SER 21 HB3 SER 21 -13.605 -10.050 2.592 124 HG SER 21 HG SER 21 -12.415 -9.934 0.428 125 H GLY 22 H GLY 22 -12.360 -7.173 3.700 126 HA2 GLY 22 HA2 GLY 22 -12.661 -6.832 6.051 127 HA3 GLY 22 HA3 GLY 22 -11.369 -7.994 6.336 128 H THR 23 H THR 23 -10.352 -6.303 3.736 129 HA THR 23 HA THR 23 -9.171 -4.158 5.318 130 HB THR 23 HB THR 23 -6.984 -4.587 4.090 131 HG1 THR 23 HG1 THR 23 -8.478 -6.527 2.925 132 HG21 THR 23 HG21 THR 23 -7.968 -6.755 5.943 133 HG22 THR 23 HG22 THR 23 -7.233 -5.225 6.431 134 HG23 THR 23 HG23 THR 23 -6.280 -6.427 5.555 135 H THR 24 H THR 24 -8.516 -2.283 4.093 136 HA THR 24 HA THR 24 -9.548 -2.200 1.362 137 HB THR 24 HB THR 24 -10.242 0.209 1.873 138 HG1 THR 24 HG1 THR 24 -9.425 -0.600 4.394 139 HG21 THR 24 HG21 THR 24 -11.742 -1.999 3.284 140 HG22 THR 24 HG22 THR 24 -11.904 -1.568 1.582 141 HG23 THR 24 HG23 THR 24 -12.419 -0.434 2.832 142 H CYS 25 H CYS 25 -8.312 -0.987 -0.052 143 HA CYS 25 HA CYS 25 -5.617 -0.512 0.818 144 HB2 CYS 25 HB2 CYS 25 -6.129 -1.448 -1.427 145 HB3 CYS 25 HB3 CYS 25 -6.891 0.089 -1.849 146 H GLN 26 H GLN 26 -5.002 1.347 1.794 147 HA GLN 26 HA GLN 26 -6.495 3.715 1.064 148 HB2 GLN 26 HB2 GLN 26 -5.205 2.954 3.658 149 HB3 GLN 26 HB3 GLN 26 -5.934 4.513 3.332 150 HG2 GLN 26 HG2 GLN 26 -8.091 3.339 2.903 151 HG3 GLN 26 HG3 GLN 26 -7.312 1.836 3.389 152 HE21 GLN 26 HE21 GLN 26 -8.643 1.524 5.083 153 HE22 GLN 26 HE22 GLN 26 -8.597 2.488 6.517 154 H VAL 27 H VAL 27 -5.358 5.164 0.064 155 HA VAL 27 HA VAL 27 -2.521 4.988 -0.186 156 HB VAL 27 HB VAL 27 -4.449 7.184 -1.039 157 HG11 VAL 27 HG11 VAL 27 -1.581 6.734 -1.855 158 HG12 VAL 27 HG12 VAL 27 -2.180 8.052 -0.847 159 HG13 VAL 27 HG13 VAL 27 -2.665 7.946 -2.539 160 HG21 VAL 27 HG21 VAL 27 -3.215 4.934 -2.626 161 HG22 VAL 27 HG22 VAL 27 -4.222 6.220 -3.285 162 HG23 VAL 27 HG23 VAL 27 -4.907 5.061 -2.145 163 H LEU 28 H LEU 28 -1.265 5.515 1.469 164 HA LEU 28 HA LEU 28 -2.175 7.407 3.489 165 HB2 LEU 28 HB2 LEU 28 0.433 5.903 3.328 166 HB3 LEU 28 HB3 LEU 28 -0.167 6.783 4.715 167 HG LEU 28 HG LEU 28 -1.232 4.192 3.597 168 HD11 LEU 28 HD11 LEU 28 0.806 3.975 4.866 169 HD12 LEU 28 HD12 LEU 28 -0.553 3.320 5.782 170 HD13 LEU 28 HD13 LEU 28 0.108 4.902 6.187 171 HD21 LEU 28 HD21 LEU 28 -2.750 4.174 5.473 172 HD22 LEU 28 HD22 LEU 28 -3.097 5.541 4.403 173 HD23 LEU 28 HD23 LEU 28 -2.239 5.797 5.936 174 H ASN 29 H ASN 29 0.281 6.975 1.075 175 HA ASN 29 HA ASN 29 0.835 9.817 0.984 176 HB2 ASN 29 HB2 ASN 29 2.987 7.642 1.083 177 HB3 ASN 29 HB3 ASN 29 3.230 9.372 0.861 178 HD21 ASN 29 HD21 ASN 29 2.568 6.851 3.139 179 HD22 ASN 29 HD22 ASN 29 2.800 7.772 4.572 180 HA PRO 30 HA PRO 30 0.491 8.821 -3.309 181 HB2 PRO 30 HB2 PRO 30 2.947 9.762 -4.357 182 HB3 PRO 30 HB3 PRO 30 1.378 10.542 -4.436 183 HG2 PRO 30 HG2 PRO 30 3.610 11.309 -2.883 184 HG3 PRO 30 HG3 PRO 30 1.999 12.040 -2.868 185 HD2 PRO 30 HD2 PRO 30 3.283 10.365 -0.902 186 HD3 PRO 30 HD3 PRO 30 1.739 11.202 -0.753 187 H TYR 31 H TYR 31 3.760 8.028 -2.125 188 HA TYR 31 HA TYR 31 3.813 5.938 -4.145 189 HB2 TYR 31 HB2 TYR 31 5.932 6.751 -2.145 190 HB3 TYR 31 HB3 TYR 31 6.125 5.521 -3.382 191 HD1 TYR 31 HD1 TYR 31 5.763 9.150 -2.785 192 HD2 TYR 31 HD2 TYR 31 6.581 6.121 -5.661 193 HE1 TYR 31 HE1 TYR 31 6.561 10.852 -4.332 194 HE2 TYR 31 HE2 TYR 31 7.384 7.839 -7.225 195 HH TYR 31 HH TYR 31 7.099 10.213 -7.608 196 H TYR 32 H TYR 32 3.348 6.357 -0.705 197 HA TYR 32 HA TYR 32 3.315 3.447 -0.502 198 HB2 TYR 32 HB2 TYR 32 4.849 4.619 1.071 199 HB3 TYR 32 HB3 TYR 32 3.434 5.352 1.830 200 HD1 TYR 32 HD1 TYR 32 2.169 4.146 3.413 201 HD2 TYR 32 HD2 TYR 32 5.103 2.136 1.105 202 HE1 TYR 32 HE1 TYR 32 1.891 2.163 4.827 203 HE2 TYR 32 HE2 TYR 32 4.852 0.129 2.495 204 HH TYR 32 HH TYR 32 4.102 -0.342 4.861 205 H SER 33 H SER 33 1.425 2.559 -0.719 206 HA SER 33 HA SER 33 -0.870 3.800 0.623 207 HB2 SER 33 HB2 SER 33 -0.927 1.944 -1.795 208 HB3 SER 33 HB3 SER 33 -2.288 2.815 -1.089 209 HG SER 33 HG SER 33 -1.210 3.757 -3.030 210 H GLN 34 H GLN 34 -1.822 2.468 2.152 211 HA GLN 34 HA GLN 34 -0.640 -0.208 2.393 212 HB2 GLN 34 HB2 GLN 34 0.315 1.334 4.022 213 HB3 GLN 34 HB3 GLN 34 -1.297 1.755 4.583 214 HG2 GLN 34 HG2 GLN 34 -1.618 -0.491 5.419 215 HG3 GLN 34 HG3 GLN 34 -0.047 -0.974 4.779 216 HE21 GLN 34 HE21 GLN 34 1.825 -0.268 5.828 217 HE22 GLN 34 HE22 GLN 34 1.797 0.353 7.418 218 H CYS 35 H CYS 35 -2.028 -1.811 2.832 219 HA CYS 35 HA CYS 35 -4.812 -1.152 2.598 220 HB2 CYS 35 HB2 CYS 35 -3.698 -3.172 1.478 221 HB3 CYS 35 HB3 CYS 35 -3.698 -3.894 3.078 222 H LEU 36 H LEU 36 -6.128 -0.871 4.169 223 HA LEU 36 HA LEU 36 -5.471 -1.837 6.839 224 HB2 LEU 36 HB2 LEU 36 -6.573 0.854 6.051 225 HB3 LEU 36 HB3 LEU 36 -6.421 0.262 7.694 226 HG LEU 36 HG LEU 36 -4.103 0.741 5.817 227 HD11 LEU 36 HD11 LEU 36 -3.580 2.634 7.271 228 HD12 LEU 36 HD12 LEU 36 -5.079 2.366 8.163 229 HD13 LEU 36 HD13 LEU 36 -5.133 2.831 6.460 230 HD21 LEU 36 HD21 LEU 36 -3.636 -1.027 7.397 231 HD22 LEU 36 HD22 LEU 36 -4.205 -0.030 8.731 232 HD23 LEU 36 HD23 LEU 36 -2.743 0.422 7.850 233 H1 MAN 101 H1 MAN 101 1.541 -8.948 3.625 234 H2 MAN 101 H2 MAN 101 0.228 -7.186 5.723 235 H3 MAN 101 H3 MAN 101 2.238 -6.012 5.864 236 H4 MAN 101 H4 MAN 101 3.637 -8.682 5.405 237 H5 MAN 101 H5 MAN 101 3.941 -6.229 3.579 238 H61 MAN 101 H61 MAN 101 3.752 -8.008 1.832 239 H62 MAN 101 H62 MAN 101 3.692 -9.249 3.100 240 HO2 MAN 101 HO2 MAN 101 1.030 -8.907 7.027 241 HO3 MAN 101 HO3 MAN 101 1.702 -7.076 7.886 242 HO4 MAN 101 HO4 MAN 101 4.642 -7.253 6.838 243 HO6 MAN 101 HO6 MAN 101 5.826 -7.867 2.086 Start of MODEL 20 1 H1 THR 1 H1 THR 1 -3.779 -12.147 -1.905 2 H2 THR 1 H2 THR 1 -2.899 -11.760 -3.260 3 H3 THR 1 H3 THR 1 -4.477 -12.365 -3.423 4 HA THR 1 HA THR 1 -4.433 -9.986 -3.760 5 HB THR 1 HB THR 1 -5.958 -9.371 -1.750 6 HG1 THR 1 HG1 THR 1 -5.267 -10.888 -0.228 7 HG21 THR 1 HG21 THR 1 -6.832 -10.104 -3.921 8 HG22 THR 1 HG22 THR 1 -7.787 -10.790 -2.606 9 HG23 THR 1 HG23 THR 1 -6.603 -11.787 -3.450 10 H ALA 2 H ALA 2 -4.499 -7.890 -2.140 11 HA ALA 2 HA ALA 2 -1.771 -7.612 -1.308 12 HB1 ALA 2 HB1 ALA 2 -2.295 -5.279 -0.916 13 HB2 ALA 2 HB2 ALA 2 -4.013 -5.588 -1.078 14 HB3 ALA 2 HB3 ALA 2 -2.950 -5.767 -2.475 15 H SER 3 H SER 3 -1.024 -7.275 0.672 16 HA SER 3 HA SER 3 -2.441 -8.692 2.722 17 HB2 SER 3 HB2 SER 3 -0.178 -8.377 3.843 18 HB3 SER 3 HB3 SER 3 -0.234 -9.363 2.378 19 H HIS 4 H HIS 4 -2.628 -7.974 4.852 20 HA HIS 4 HA HIS 4 -3.562 -5.282 5.101 21 HB2 HIS 4 HB2 HIS 4 -4.512 -7.359 6.269 22 HB3 HIS 4 HB3 HIS 4 -3.123 -7.278 7.333 23 HD1 HIS 4 HD1 HIS 4 -4.663 -6.803 9.405 24 HD2 HIS 4 HD2 HIS 4 -4.918 -3.979 6.390 25 HE1 HIS 4 HE1 HIS 4 -6.121 -4.981 10.306 26 HE2 HIS 4 HE2 HIS 4 -6.566 -3.574 8.244 27 H TYR 5 H TYR 5 -2.429 -3.584 5.760 28 HA TYR 5 HA TYR 5 -0.857 -2.267 6.542 29 HB2 TYR 5 HB2 TYR 5 0.142 -4.696 8.034 30 HB3 TYR 5 HB3 TYR 5 0.993 -3.155 8.087 31 HD1 TYR 5 HD1 TYR 5 -1.971 -4.995 9.185 32 HD2 TYR 5 HD2 TYR 5 0.004 -1.232 9.192 33 HE1 TYR 5 HE1 TYR 5 -3.444 -4.220 10.996 34 HE2 TYR 5 HE2 TYR 5 -1.457 -0.457 11.003 35 HH TYR 5 HH TYR 5 -3.341 -2.523 12.815 36 H GLY 6 H GLY 6 -0.529 -4.438 4.314 37 HA2 GLY 6 HA2 GLY 6 2.250 -3.918 3.683 38 HA3 GLY 6 HA3 GLY 6 1.131 -4.988 2.831 39 H GLN 7 H GLN 7 2.592 -3.288 1.359 40 HA GLN 7 HA GLN 7 1.128 -0.883 0.845 41 HB2 GLN 7 HB2 GLN 7 3.586 -1.110 0.505 42 HB3 GLN 7 HB3 GLN 7 3.288 -2.266 -0.777 43 HG2 GLN 7 HG2 GLN 7 2.142 -0.510 -2.055 44 HG3 GLN 7 HG3 GLN 7 2.497 0.641 -0.761 45 HE21 GLN 7 HE21 GLN 7 3.802 1.973 -2.114 46 HE22 GLN 7 HE22 GLN 7 5.315 1.440 -2.647 47 H CYS 8 H CYS 8 -0.575 -0.734 -0.474 48 HA CYS 8 HA CYS 8 -1.356 -3.169 -1.965 49 HB2 CYS 8 HB2 CYS 8 -3.664 -2.373 -1.607 50 HB3 CYS 8 HB3 CYS 8 -2.763 -2.757 -0.134 51 H GLY 9 H GLY 9 -0.150 -0.218 -2.652 52 HA2 GLY 9 HA2 GLY 9 -0.620 -0.200 -5.345 53 HA3 GLY 9 HA3 GLY 9 -2.090 0.475 -4.657 54 H GLY 10 H GLY 10 1.376 0.882 -4.260 55 HA2 GLY 10 HA2 GLY 10 0.865 3.766 -4.155 56 HA3 GLY 10 HA3 GLY 10 2.288 2.966 -3.491 57 H ILE 11 H ILE 11 2.450 5.099 -5.353 58 HA ILE 11 HA ILE 11 2.835 4.180 -7.964 59 HB ILE 11 HB ILE 11 4.285 6.461 -6.560 60 HG12 ILE 11 HG12 ILE 11 1.798 6.494 -8.300 61 HG13 ILE 11 HG13 ILE 11 1.826 6.701 -6.556 62 HG21 ILE 11 HG21 ILE 11 4.719 7.332 -8.822 63 HG22 ILE 11 HG22 ILE 11 3.944 5.910 -9.515 64 HG23 ILE 11 HG23 ILE 11 5.444 5.735 -8.607 65 HD11 ILE 11 HD11 ILE 11 1.580 8.832 -7.697 66 HD12 ILE 11 HD12 ILE 11 3.082 8.545 -8.574 67 HD13 ILE 11 HD13 ILE 11 3.112 8.761 -6.823 68 H GLY 12 H GLY 12 4.223 2.786 -8.715 69 HA2 GLY 12 HA2 GLY 12 6.524 2.122 -9.081 70 HA3 GLY 12 HA3 GLY 12 6.837 2.473 -7.384 71 H TYR 13 H TYR 13 4.144 1.195 -6.819 72 HA TYR 13 HA TYR 13 5.233 -1.428 -6.311 73 HB2 TYR 13 HB2 TYR 13 3.997 -0.286 -4.550 74 HB3 TYR 13 HB3 TYR 13 2.589 -0.159 -5.585 75 HD1 TYR 13 HD1 TYR 13 4.830 -2.789 -4.113 76 HD2 TYR 13 HD2 TYR 13 0.898 -1.677 -5.281 77 HE1 TYR 13 HE1 TYR 13 3.959 -4.873 -3.141 78 HE2 TYR 13 HE2 TYR 13 0.024 -3.753 -4.334 79 HH TYR 13 HH TYR 13 0.621 -5.801 -3.629 80 H SER 14 H SER 14 5.079 -3.014 -7.690 81 HA SER 14 HA SER 14 3.055 -2.971 -9.779 82 HB2 SER 14 HB2 SER 14 4.623 -4.746 -10.718 83 HB3 SER 14 HB3 SER 14 5.234 -3.092 -10.661 84 HG SER 14 HG SER 14 6.539 -5.016 -9.785 85 H GLY 15 H GLY 15 3.377 -4.249 -6.790 86 HA2 GLY 15 HA2 GLY 15 2.692 -6.982 -7.343 87 HA3 GLY 15 HA3 GLY 15 2.742 -6.232 -5.754 88 HA PRO 16 HA PRO 16 -1.698 -7.426 -6.827 89 HB2 PRO 16 HB2 PRO 16 -2.042 -8.090 -4.133 90 HB3 PRO 16 HB3 PRO 16 -1.649 -9.233 -5.427 91 HG2 PRO 16 HG2 PRO 16 0.228 -7.790 -3.567 92 HG3 PRO 16 HG3 PRO 16 0.204 -9.525 -3.988 93 HD2 PRO 16 HD2 PRO 16 1.931 -7.958 -5.103 94 HD3 PRO 16 HD3 PRO 16 0.995 -9.049 -6.154 95 H THR 17 H THR 17 -3.071 -5.710 -6.817 96 HA THR 17 HA THR 17 -2.767 -3.713 -4.714 97 HB THR 17 HB THR 17 -4.106 -2.256 -6.266 98 HG1 THR 17 HG1 THR 17 -5.018 -3.276 -7.825 99 HG21 THR 17 HG21 THR 17 -1.670 -2.078 -6.158 100 HG22 THR 17 HG22 THR 17 -2.220 -1.846 -7.818 101 HG23 THR 17 HG23 THR 17 -1.508 -3.384 -7.329 102 H VAL 18 H VAL 18 -4.870 -6.151 -5.836 103 HA VAL 18 HA VAL 18 -7.282 -5.077 -4.685 104 HB VAL 18 HB VAL 18 -6.638 -7.906 -5.602 105 HG11 VAL 18 HG11 VAL 18 -9.072 -8.249 -5.648 106 HG12 VAL 18 HG12 VAL 18 -9.294 -6.640 -4.957 107 HG13 VAL 18 HG13 VAL 18 -8.483 -7.893 -4.022 108 HG21 VAL 18 HG21 VAL 18 -6.511 -6.307 -7.440 109 HG22 VAL 18 HG22 VAL 18 -8.112 -5.694 -7.026 110 HG23 VAL 18 HG23 VAL 18 -7.928 -7.346 -7.611 111 H CYS 19 H CYS 19 -7.461 -4.949 -2.557 112 HA CYS 19 HA CYS 19 -5.787 -6.309 -0.742 113 HB2 CYS 19 HB2 CYS 19 -8.233 -4.624 -0.350 114 HB3 CYS 19 HB3 CYS 19 -7.430 -5.444 0.987 115 H ALA 20 H ALA 20 -6.453 -7.529 1.086 116 HA ALA 20 HA ALA 20 -7.782 -9.917 0.310 117 HB1 ALA 20 HB1 ALA 20 -5.818 -9.939 1.749 118 HB2 ALA 20 HB2 ALA 20 -7.206 -10.620 2.608 119 HB3 ALA 20 HB3 ALA 20 -6.670 -8.978 2.955 120 H SER 21 H SER 21 -9.386 -10.850 1.960 121 HA SER 21 HA SER 21 -11.710 -9.277 1.967 122 HB2 SER 21 HB2 SER 21 -11.133 -11.772 3.566 123 HB3 SER 21 HB3 SER 21 -12.707 -11.187 3.026 124 HG SER 21 HG SER 21 -12.400 -12.147 1.205 125 H GLY 22 H GLY 22 -12.190 -7.680 3.362 126 HA2 GLY 22 HA2 GLY 22 -12.666 -6.860 5.495 127 HA3 GLY 22 HA3 GLY 22 -11.556 -8.042 6.173 128 H THR 23 H THR 23 -10.436 -6.208 3.482 129 HA THR 23 HA THR 23 -9.146 -4.294 5.257 130 HB THR 23 HB THR 23 -6.967 -4.630 4.055 131 HG1 THR 23 HG1 THR 23 -8.479 -6.605 2.781 132 HG21 THR 23 HG21 THR 23 -7.984 -7.069 5.521 133 HG22 THR 23 HG22 THR 23 -7.282 -5.629 6.264 134 HG23 THR 23 HG23 THR 23 -6.289 -6.668 5.249 135 H THR 24 H THR 24 -8.541 -2.311 4.207 136 HA THR 24 HA THR 24 -9.557 -2.038 1.473 137 HB THR 24 HB THR 24 -10.226 0.337 2.150 138 HG1 THR 24 HG1 THR 24 -9.419 -0.641 4.624 139 HG21 THR 24 HG21 THR 24 -12.414 -0.368 3.026 140 HG22 THR 24 HG22 THR 24 -11.746 -1.963 3.380 141 HG23 THR 24 HG23 THR 24 -11.879 -1.416 1.711 142 H CYS 25 H CYS 25 -8.234 -0.971 0.075 143 HA CYS 25 HA CYS 25 -5.594 -0.360 0.957 144 HB2 CYS 25 HB2 CYS 25 -6.104 -1.307 -1.305 145 HB3 CYS 25 HB3 CYS 25 -6.856 0.234 -1.724 146 H GLN 26 H GLN 26 -4.955 1.499 1.848 147 HA GLN 26 HA GLN 26 -6.530 3.854 1.238 148 HB2 GLN 26 HB2 GLN 26 -5.205 2.966 3.780 149 HB3 GLN 26 HB3 GLN 26 -5.855 4.578 3.554 150 HG2 GLN 26 HG2 GLN 26 -8.074 3.642 3.173 151 HG3 GLN 26 HG3 GLN 26 -7.426 2.014 3.323 152 HE21 GLN 26 HE21 GLN 26 -8.792 1.507 4.978 153 HE22 GLN 26 HE22 GLN 26 -8.609 2.125 6.570 154 H VAL 27 H VAL 27 -5.480 5.312 0.172 155 HA VAL 27 HA VAL 27 -2.650 5.210 -0.184 156 HB VAL 27 HB VAL 27 -4.675 7.300 -1.081 157 HG11 VAL 27 HG11 VAL 27 -1.788 6.969 -1.903 158 HG12 VAL 27 HG12 VAL 27 -2.420 8.254 -0.884 159 HG13 VAL 27 HG13 VAL 27 -2.926 8.142 -2.574 160 HG21 VAL 27 HG21 VAL 27 -3.300 5.101 -2.612 161 HG22 VAL 27 HG22 VAL 27 -4.388 6.301 -3.297 162 HG23 VAL 27 HG23 VAL 27 -5.000 5.114 -2.138 163 H LEU 28 H LEU 28 -1.544 5.638 1.576 164 HA LEU 28 HA LEU 28 -2.286 7.720 3.414 165 HB2 LEU 28 HB2 LEU 28 0.277 6.128 3.232 166 HB3 LEU 28 HB3 LEU 28 -0.208 7.131 4.584 167 HG LEU 28 HG LEU 28 -1.496 4.543 3.705 168 HD11 LEU 28 HD11 LEU 28 0.070 5.281 6.158 169 HD12 LEU 28 HD12 LEU 28 0.605 4.252 4.828 170 HD13 LEU 28 HD13 LEU 28 -0.720 3.731 5.868 171 HD21 LEU 28 HD21 LEU 28 -2.187 6.374 5.972 172 HD22 LEU 28 HD22 LEU 28 -2.830 4.750 5.719 173 HD23 LEU 28 HD23 LEU 28 -3.198 6.038 4.554 174 H ASN 29 H ASN 29 0.191 7.102 1.020 175 HA ASN 29 HA ASN 29 0.665 9.939 0.641 176 HB2 ASN 29 HB2 ASN 29 2.792 7.815 1.178 177 HB3 ASN 29 HB3 ASN 29 3.123 9.397 0.486 178 HD21 ASN 29 HD21 ASN 29 4.069 8.123 2.978 179 HD22 ASN 29 HD22 ASN 29 3.652 9.230 4.217 180 HA PRO 30 HA PRO 30 0.544 8.662 -3.585 181 HB2 PRO 30 HB2 PRO 30 3.078 9.473 -4.550 182 HB3 PRO 30 HB3 PRO 30 1.529 10.265 -4.788 183 HG2 PRO 30 HG2 PRO 30 3.678 11.140 -3.178 184 HG3 PRO 30 HG3 PRO 30 2.072 11.869 -3.310 185 HD2 PRO 30 HD2 PRO 30 3.238 10.357 -1.163 186 HD3 PRO 30 HD3 PRO 30 1.692 11.215 -1.172 187 H TYR 31 H TYR 31 3.840 7.976 -2.321 188 HA TYR 31 HA TYR 31 3.882 5.705 -4.122 189 HB2 TYR 31 HB2 TYR 31 5.966 6.554 -2.092 190 HB3 TYR 31 HB3 TYR 31 6.144 5.295 -3.297 191 HD1 TYR 31 HD1 TYR 31 6.290 8.846 -2.636 192 HD2 TYR 31 HD2 TYR 31 6.285 5.911 -5.702 193 HE1 TYR 31 HE1 TYR 31 7.191 10.490 -4.192 194 HE2 TYR 31 HE2 TYR 31 7.187 7.562 -7.284 195 HH TYR 31 HH TYR 31 7.276 9.986 -7.538 196 H TYR 32 H TYR 32 3.312 6.439 -0.763 197 HA TYR 32 HA TYR 32 3.288 3.567 -0.292 198 HB2 TYR 32 HB2 TYR 32 4.701 4.923 1.228 199 HB3 TYR 32 HB3 TYR 32 3.238 5.694 1.836 200 HD1 TYR 32 HD1 TYR 32 2.304 4.802 3.765 201 HD2 TYR 32 HD2 TYR 32 4.564 2.272 1.205 202 HE1 TYR 32 HE1 TYR 32 2.011 2.953 5.342 203 HE2 TYR 32 HE2 TYR 32 4.285 0.411 2.768 204 HH TYR 32 HH TYR 32 2.109 0.639 5.451 205 H SER 33 H SER 33 1.475 2.634 -0.513 206 HA SER 33 HA SER 33 -0.886 3.867 0.694 207 HB2 SER 33 HB2 SER 33 -0.843 2.163 -1.837 208 HB3 SER 33 HB3 SER 33 -2.250 2.930 -1.108 209 HG SER 33 HG SER 33 -0.523 4.866 -1.422 210 H GLN 34 H GLN 34 -1.764 2.574 2.216 211 HA GLN 34 HA GLN 34 -0.660 -0.131 2.420 212 HB2 GLN 34 HB2 GLN 34 0.390 1.178 4.112 213 HB3 GLN 34 HB3 GLN 34 -1.122 1.954 4.543 214 HG2 GLN 34 HG2 GLN 34 -1.946 -0.105 5.507 215 HG3 GLN 34 HG3 GLN 34 -0.497 -0.950 4.966 216 HE21 GLN 34 HE21 GLN 34 1.340 -0.846 6.192 217 HE22 GLN 34 HE22 GLN 34 1.416 -0.004 7.688 218 H CYS 35 H CYS 35 -2.046 -1.727 2.951 219 HA CYS 35 HA CYS 35 -4.844 -1.031 2.706 220 HB2 CYS 35 HB2 CYS 35 -3.764 -2.966 1.464 221 HB3 CYS 35 HB3 CYS 35 -3.721 -3.815 3.003 222 H LEU 36 H LEU 36 -6.149 -0.841 4.333 223 HA LEU 36 HA LEU 36 -5.381 -1.901 6.936 224 HB2 LEU 36 HB2 LEU 36 -6.517 0.810 6.268 225 HB3 LEU 36 HB3 LEU 36 -6.376 0.172 7.895 226 HG LEU 36 HG LEU 36 -4.019 0.626 6.061 227 HD11 LEU 36 HD11 LEU 36 -3.541 2.574 7.451 228 HD12 LEU 36 HD12 LEU 36 -5.056 2.320 8.321 229 HD13 LEU 36 HD13 LEU 36 -5.079 2.746 6.606 230 HD21 LEU 36 HD21 LEU 36 -2.729 0.370 8.126 231 HD22 LEU 36 HD22 LEU 36 -3.653 -1.081 7.756 232 HD23 LEU 36 HD23 LEU 36 -4.213 0.023 9.009 233 H1 MAN 101 H1 MAN 101 2.233 -8.208 3.102 234 H2 MAN 101 H2 MAN 101 2.521 -5.955 1.751 235 H3 MAN 101 H3 MAN 101 2.924 -6.045 -0.507 236 H4 MAN 101 H4 MAN 101 1.799 -7.909 -1.739 237 H5 MAN 101 H5 MAN 101 0.292 -9.255 0.121 238 H61 MAN 101 H61 MAN 101 3.005 -10.160 -0.919 239 H62 MAN 101 H62 MAN 101 1.458 -10.323 -1.775 240 HO2 MAN 101 HO2 MAN 101 4.716 -6.527 1.603 241 HO3 MAN 101 HO3 MAN 101 4.025 -8.608 -0.045 242 HO4 MAN 101 HO4 MAN 101 0.679 -6.085 -1.001 243 HO6 MAN 101 HO6 MAN 101 0.848 -11.888 -0.500
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