NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
616836 | 5x35 | 36051 | 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 -9.708 6.001 -2.588 2 H2 THR 1 H2 THR 1 -8.840 7.434 -2.366 3 H3 THR 1 H3 THR 1 -8.935 6.311 -1.109 4 HA THR 1 HA THR 1 -7.682 4.748 -2.398 5 HB THR 1 HB THR 1 -6.532 5.717 -4.446 6 HG21 THR 1 HG21 THR 1 -8.295 3.980 -4.569 7 HG22 THR 1 HG22 THR 1 -8.431 5.081 -5.933 8 HG23 THR 1 HG23 THR 1 -9.534 5.233 -4.576 9 H GLN 2 H GLN 2 -5.330 4.805 -2.373 10 HA GLN 2 HA GLN 2 -4.426 6.879 -0.546 11 HB2 GLN 2 HB2 GLN 2 -4.102 4.477 0.023 12 HB3 GLN 2 HB3 GLN 2 -3.062 4.316 -1.385 13 HG2 GLN 2 HG2 GLN 2 -1.773 4.539 0.670 14 HG3 GLN 2 HG3 GLN 2 -1.490 5.894 -0.426 15 HE21 GLN 2 HE21 GLN 2 -2.891 4.894 2.548 16 HE22 GLN 2 HE22 GLN 2 -3.193 6.469 3.192 17 H SER 3 H SER 3 -2.580 8.076 -0.910 18 HA SER 3 HA SER 3 -2.130 8.726 -3.682 19 HB2 SER 3 HB2 SER 3 -1.070 10.012 -1.171 20 HB3 SER 3 HB3 SER 3 -1.137 10.719 -2.791 21 HG SER 3 HG SER 3 -2.911 10.957 -0.981 22 H HIS 4 H HIS 4 0.219 9.404 -4.155 23 HA HIS 4 HA HIS 4 1.841 7.076 -4.142 24 HB2 HIS 4 HB2 HIS 4 1.745 9.010 -5.883 25 HB3 HIS 4 HB3 HIS 4 2.815 9.866 -4.785 26 HD1 HIS 4 HD1 HIS 4 4.737 9.859 -6.541 27 HD2 HIS 4 HD2 HIS 4 3.421 6.101 -5.446 28 HE1 HIS 4 HE1 HIS 4 6.354 8.259 -7.573 29 HE2 HIS 4 HE2 HIS 4 5.215 6.030 -7.235 30 H TYR 5 H TYR 5 3.372 6.447 -2.725 31 HA TYR 5 HA TYR 5 4.769 6.340 -1.023 32 HB2 TYR 5 HB2 TYR 5 4.783 9.352 -1.182 33 HB3 TYR 5 HB3 TYR 5 5.638 8.506 0.101 34 HD1 TYR 5 HD1 TYR 5 5.464 8.997 -3.562 35 HD2 TYR 5 HD2 TYR 5 7.704 7.416 -0.316 36 HE1 TYR 5 HE1 TYR 5 7.378 8.645 -5.058 37 HE2 TYR 5 HE2 TYR 5 9.626 7.064 -1.801 38 HH TYR 5 HH TYR 5 10.133 6.819 -4.084 39 H GLY 6 H GLY 6 1.773 6.707 -0.782 40 HA2 GLY 6 HA2 GLY 6 1.721 7.030 2.128 41 HA3 GLY 6 HA3 GLY 6 0.315 6.984 1.062 42 H GLN 7 H GLN 7 0.605 5.364 3.370 43 HA GLN 7 HA GLN 7 1.406 2.724 2.572 44 HB2 GLN 7 HB2 GLN 7 1.404 3.697 4.978 45 HB3 GLN 7 HB3 GLN 7 -0.337 3.466 4.905 46 HG2 GLN 7 HG2 GLN 7 -0.078 1.083 4.683 47 HG3 GLN 7 HG3 GLN 7 1.678 1.249 4.622 48 HE21 GLN 7 HE21 GLN 7 0.182 -0.315 6.555 49 HE22 GLN 7 HE22 GLN 7 0.514 0.393 8.087 50 H CYS 8 H CYS 8 0.204 1.580 1.221 51 HA CYS 8 HA CYS 8 -2.514 2.293 0.687 52 HB2 CYS 8 HB2 CYS 8 -2.352 0.257 -0.884 53 HB3 CYS 8 HB3 CYS 8 -1.373 1.675 -1.241 54 H GLY 9 H GLY 9 -1.141 -0.867 1.575 55 HA2 GLY 9 HA2 GLY 9 -3.149 -1.255 3.541 56 HA3 GLY 9 HA3 GLY 9 -3.597 -2.044 2.039 57 H GLY 10 H GLY 10 -1.266 -1.864 4.569 58 HA2 GLY 10 HA2 GLY 10 -0.316 -4.545 3.881 59 HA3 GLY 10 HA3 GLY 10 0.466 -3.442 5.016 60 H ILE 11 H ILE 11 0.119 -5.808 6.098 61 HA ILE 11 HA ILE 11 -2.433 -6.341 7.156 62 HB ILE 11 HB ILE 11 0.299 -7.183 8.188 63 HG12 ILE 11 HG12 ILE 11 -1.699 -8.664 6.455 64 HG13 ILE 11 HG13 ILE 11 -0.216 -7.918 5.881 65 HG21 ILE 11 HG21 ILE 11 -1.393 -7.375 9.949 66 HG22 ILE 11 HG22 ILE 11 -0.888 -8.969 9.391 67 HG23 ILE 11 HG23 ILE 11 -2.430 -8.301 8.860 68 HD11 ILE 11 HD11 ILE 11 1.089 -9.474 7.232 69 HD12 ILE 11 HD12 ILE 11 0.016 -10.327 6.119 70 HD13 ILE 11 HD13 ILE 11 -0.402 -10.205 7.829 71 H GLY 12 H GLY 12 -3.514 -5.326 8.679 72 HA2 GLY 12 HA2 GLY 12 -3.678 -4.438 10.912 73 HA3 GLY 12 HA3 GLY 12 -2.039 -3.829 10.732 74 H TYR 13 H TYR 13 -3.176 -3.127 7.861 75 HA TYR 13 HA TYR 13 -4.019 -0.452 8.714 76 HB2 TYR 13 HB2 TYR 13 -1.999 -0.740 7.209 77 HB3 TYR 13 HB3 TYR 13 -3.089 -1.353 5.975 78 HD1 TYR 13 HD1 TYR 13 -2.140 1.608 7.930 79 HD2 TYR 13 HD2 TYR 13 -4.419 0.150 4.663 80 HE1 TYR 13 HE1 TYR 13 -2.505 3.917 7.167 81 HE2 TYR 13 HE2 TYR 13 -4.795 2.454 3.897 82 HH TYR 13 HH TYR 13 -3.025 5.054 5.055 83 H SER 14 H SER 14 -6.065 0.255 8.232 84 HA SER 14 HA SER 14 -7.729 -1.494 6.569 85 HB2 SER 14 HB2 SER 14 -9.564 -0.832 8.224 86 HB3 SER 14 HB3 SER 14 -8.342 -1.971 8.788 87 HG SER 14 HG SER 14 -8.317 -0.580 10.363 88 H GLY 15 H GLY 15 -6.329 1.173 6.102 89 HA2 GLY 15 HA2 GLY 15 -8.614 2.959 5.730 90 HA3 GLY 15 HA3 GLY 15 -6.920 3.409 5.591 91 HA PRO 16 HA PRO 16 -8.370 3.191 1.256 92 HB2 PRO 16 HB2 PRO 16 -6.539 4.963 0.282 93 HB3 PRO 16 HB3 PRO 16 -8.058 5.461 1.029 94 HG2 PRO 16 HG2 PRO 16 -5.318 5.382 2.197 95 HG3 PRO 16 HG3 PRO 16 -6.593 6.597 2.398 96 HD2 PRO 16 HD2 PRO 16 -6.024 4.692 4.247 97 HD3 PRO 16 HD3 PRO 16 -7.642 5.392 4.046 98 H THR 17 H THR 17 -7.727 1.146 0.781 99 HA THR 17 HA THR 17 -4.956 0.387 0.697 100 HB THR 17 HB THR 17 -5.971 -1.834 0.034 101 HG1 THR 17 HG1 THR 17 -8.086 -2.009 -0.070 102 HG21 THR 17 HG21 THR 17 -6.993 -0.550 2.571 103 HG22 THR 17 HG22 THR 17 -5.389 -1.235 2.371 104 HG23 THR 17 HG23 THR 17 -6.815 -2.279 2.279 105 H VAL 18 H VAL 18 -7.336 1.366 -1.600 106 HA VAL 18 HA VAL 18 -5.871 0.212 -3.809 107 HB VAL 18 HB VAL 18 -8.305 2.037 -3.850 108 HG11 VAL 18 HG11 VAL 18 -7.078 0.401 -6.076 109 HG12 VAL 18 HG12 VAL 18 -7.044 2.157 -5.943 110 HG13 VAL 18 HG13 VAL 18 -8.580 1.320 -6.179 111 HG21 VAL 18 HG21 VAL 18 -8.794 -0.102 -2.788 112 HG22 VAL 18 HG22 VAL 18 -8.117 -0.958 -4.175 113 HG23 VAL 18 HG23 VAL 18 -9.580 0.003 -4.364 114 H CYS 19 H CYS 19 -4.283 1.199 -4.784 115 HA CYS 19 HA CYS 19 -3.494 3.817 -3.978 116 HB2 CYS 19 HB2 CYS 19 -2.345 1.921 -6.011 117 HB3 CYS 19 HB3 CYS 19 -1.607 3.454 -5.555 118 H ALA 20 H ALA 20 -3.078 5.571 -5.355 119 HA ALA 20 HA ALA 20 -5.189 6.204 -7.092 120 HB1 ALA 20 HB1 ALA 20 -4.005 7.838 -5.705 121 HB2 ALA 20 HB2 ALA 20 -4.027 8.295 -7.405 122 HB3 ALA 20 HB3 ALA 20 -2.560 7.616 -6.692 123 H SER 21 H SER 21 -4.699 7.189 -9.325 124 HA SER 21 HA SER 21 -3.936 5.107 -10.986 125 HB2 SER 21 HB2 SER 21 -4.278 6.959 -12.713 126 HB3 SER 21 HB3 SER 21 -5.643 6.532 -11.676 127 HG SER 21 HG SER 21 -5.472 8.731 -11.706 128 H GLY 22 H GLY 22 -1.985 4.505 -11.522 129 HA2 GLY 22 HA2 GLY 22 0.069 4.881 -12.636 130 HA3 GLY 22 HA3 GLY 22 0.059 6.533 -12.034 131 H THR 23 H THR 23 -0.832 4.282 -9.658 132 HA THR 23 HA THR 23 1.924 4.016 -8.740 133 HB THR 23 HB THR 23 1.271 4.565 -6.421 134 HG1 THR 23 HG1 THR 23 -1.279 4.824 -7.599 135 HG21 THR 23 HG21 THR 23 2.085 6.415 -7.789 136 HG22 THR 23 HG22 THR 23 0.856 6.975 -6.653 137 HG23 THR 23 HG23 THR 23 0.443 6.732 -8.349 138 H THR 24 H THR 24 2.322 2.069 -7.675 139 HA THR 24 HA THR 24 0.037 0.258 -7.617 140 HB THR 24 HB THR 24 1.784 -1.575 -7.884 141 HG1 THR 24 HG1 THR 24 3.419 0.668 -7.928 142 HG21 THR 24 HG21 THR 24 1.975 -1.250 -10.327 143 HG22 THR 24 HG22 THR 24 1.473 0.429 -10.129 144 HG23 THR 24 HG23 THR 24 0.354 -0.877 -9.741 145 H CYS 25 H CYS 25 -0.202 -1.102 -5.796 146 HA CYS 25 HA CYS 25 0.978 -0.061 -3.396 147 HB2 CYS 25 HB2 CYS 25 -1.403 -0.754 -3.369 148 HB3 CYS 25 HB3 CYS 25 -0.940 -2.399 -3.789 149 H GLN 26 H GLN 26 3.081 -0.498 -3.297 150 HA GLN 26 HA GLN 26 4.029 -3.177 -3.871 151 HB2 GLN 26 HB2 GLN 26 5.549 -0.634 -3.257 152 HB3 GLN 26 HB3 GLN 26 6.297 -2.172 -3.662 153 HG2 GLN 26 HG2 GLN 26 5.047 -2.077 -5.851 154 HG3 GLN 26 HG3 GLN 26 4.579 -0.443 -5.423 155 HE21 GLN 26 HE21 GLN 26 5.643 0.393 -7.217 156 HE22 GLN 26 HE22 GLN 26 7.352 0.539 -7.314 157 H VAL 27 H VAL 27 4.443 -4.591 -2.354 158 HA VAL 27 HA VAL 27 3.968 -3.847 0.390 159 HB VAL 27 HB VAL 27 4.720 -6.574 -0.707 160 HG11 VAL 27 HG11 VAL 27 3.350 -5.794 1.852 161 HG12 VAL 27 HG12 VAL 27 4.996 -6.400 1.686 162 HG13 VAL 27 HG13 VAL 27 3.629 -7.444 1.299 163 HG21 VAL 27 HG21 VAL 27 1.967 -5.405 -0.320 164 HG22 VAL 27 HG22 VAL 27 2.308 -7.090 -0.714 165 HG23 VAL 27 HG23 VAL 27 2.726 -5.814 -1.859 166 H LEU 28 H LEU 28 5.675 -2.697 1.121 167 HA LEU 28 HA LEU 28 8.394 -3.418 0.534 168 HB2 LEU 28 HB2 LEU 28 7.419 -1.513 2.664 169 HB3 LEU 28 HB3 LEU 28 9.023 -1.584 1.972 170 HG LEU 28 HG LEU 28 6.504 -0.594 0.639 171 HD11 LEU 28 HD11 LEU 28 7.519 0.970 2.170 172 HD12 LEU 28 HD12 LEU 28 7.723 1.510 0.505 173 HD13 LEU 28 HD13 LEU 28 9.073 0.776 1.370 174 HD21 LEU 28 HD21 LEU 28 9.254 -0.910 -0.557 175 HD22 LEU 28 HD22 LEU 28 7.897 -0.060 -1.291 176 HD23 LEU 28 HD23 LEU 28 7.801 -1.805 -1.028 177 H ASN 29 H ASN 29 6.159 -3.770 3.173 178 HA ASN 29 HA ASN 29 7.774 -5.886 4.335 179 HB2 ASN 29 HB2 ASN 29 6.622 -3.576 5.965 180 HB3 ASN 29 HB3 ASN 29 7.371 -5.021 6.624 181 HD21 ASN 29 HD21 ASN 29 7.861 -1.928 5.248 182 HD22 ASN 29 HD22 ASN 29 9.545 -1.823 5.503 183 HA PRO 30 HA PRO 30 3.771 -7.788 4.648 184 HB2 PRO 30 HB2 PRO 30 4.107 -8.131 7.592 185 HB3 PRO 30 HB3 PRO 30 3.733 -9.338 6.358 186 HG2 PRO 30 HG2 PRO 30 6.161 -9.232 7.408 187 HG3 PRO 30 HG3 PRO 30 5.951 -9.518 5.671 188 HD2 PRO 30 HD2 PRO 30 6.734 -7.013 7.098 189 HD3 PRO 30 HD3 PRO 30 7.369 -7.673 5.580 190 H TYR 31 H TYR 31 4.474 -5.402 7.150 191 HA TYR 31 HA TYR 31 1.591 -4.878 7.404 192 HB2 TYR 31 HB2 TYR 31 3.836 -3.679 9.014 193 HB3 TYR 31 HB3 TYR 31 2.121 -3.679 9.400 194 HD1 TYR 31 HD1 TYR 31 5.232 -5.392 9.729 195 HD2 TYR 31 HD2 TYR 31 1.026 -5.925 9.938 196 HE1 TYR 31 HE1 TYR 31 5.568 -7.441 11.019 197 HE2 TYR 31 HE2 TYR 31 1.346 -7.982 11.237 198 HH TYR 31 HH TYR 31 4.342 -8.781 12.603 199 H TYR 32 H TYR 32 4.574 -3.491 6.205 200 HA TYR 32 HA TYR 32 3.104 -1.026 5.694 201 HB2 TYR 32 HB2 TYR 32 5.354 -0.821 6.916 202 HB3 TYR 32 HB3 TYR 32 6.088 -1.308 5.395 203 HD1 TYR 32 HD1 TYR 32 6.450 0.225 3.666 204 HD2 TYR 32 HD2 TYR 32 3.895 1.277 6.879 205 HE1 TYR 32 HE1 TYR 32 6.308 2.520 2.783 206 HE2 TYR 32 HE2 TYR 32 3.741 3.577 6.032 207 HH TYR 32 HH TYR 32 5.023 5.085 4.624 208 H SER 33 H SER 33 2.244 -0.884 3.810 209 HA SER 33 HA SER 33 3.736 -1.841 1.492 210 HB2 SER 33 HB2 SER 33 0.729 -1.848 1.929 211 HB3 SER 33 HB3 SER 33 1.553 -2.450 0.493 212 HG SER 33 HG SER 33 2.672 -3.662 2.535 213 H GLN 34 H GLN 34 3.785 -0.283 -0.204 214 HA GLN 34 HA GLN 34 2.584 2.294 0.519 215 HB2 GLN 34 HB2 GLN 34 4.906 2.258 1.254 216 HB3 GLN 34 HB3 GLN 34 5.432 1.791 -0.348 217 HG2 GLN 34 HG2 GLN 34 4.770 3.922 -1.241 218 HG3 GLN 34 HG3 GLN 34 4.070 4.390 0.310 219 HE21 GLN 34 HE21 GLN 34 5.445 4.929 2.020 220 HE22 GLN 34 HE22 GLN 34 7.095 5.309 1.761 221 H CYS 35 H CYS 35 1.786 3.464 -1.132 222 HA CYS 35 HA CYS 35 1.524 2.240 -3.708 223 HB2 CYS 35 HB2 CYS 35 0.735 4.997 -2.745 224 HB3 CYS 35 HB3 CYS 35 0.318 4.327 -4.318 225 H LEU 36 H LEU 36 3.145 2.183 -5.013 226 HA LEU 36 HA LEU 36 4.767 4.573 -5.419 227 HB2 LEU 36 HB2 LEU 36 5.658 1.707 -5.304 228 HB3 LEU 36 HB3 LEU 36 6.657 3.034 -5.864 229 HG LEU 36 HG LEU 36 5.508 2.849 -3.089 230 HD11 LEU 36 HD11 LEU 36 7.771 2.255 -2.401 231 HD12 LEU 36 HD12 LEU 36 8.272 2.220 -4.097 232 HD13 LEU 36 HD13 LEU 36 7.097 1.047 -3.495 233 HD21 LEU 36 HD21 LEU 36 7.123 4.630 -2.618 234 HD22 LEU 36 HD22 LEU 36 5.953 5.123 -3.836 235 HD23 LEU 36 HD23 LEU 36 7.586 4.657 -4.318 236 H1 MAN 101 H1 MAN 101 -6.654 7.200 -6.189 237 H2 MAN 101 H2 MAN 101 -8.138 9.732 -5.450 238 H3 MAN 101 H3 MAN 101 -8.774 9.810 -7.673 239 H4 MAN 101 H4 MAN 101 -6.345 8.066 -8.265 240 H5 MAN 101 H5 MAN 101 -9.259 7.380 -8.711 241 H61 MAN 101 H61 MAN 101 -8.556 5.129 -8.412 242 H62 MAN 101 H62 MAN 101 -6.951 5.566 -7.805 243 HO2 MAN 101 HO2 MAN 101 -6.060 10.428 -6.142 244 HO3 MAN 101 HO3 MAN 101 -6.995 10.752 -8.826 245 HO4 MAN 101 HO4 MAN 101 -7.391 8.036 -10.322 246 HO6 MAN 101 HO6 MAN 101 -7.303 4.937 -10.175 Start of MODEL 2 1 H1 THR 1 H1 THR 1 -8.538 8.220 -2.928 2 H2 THR 1 H2 THR 1 -8.957 6.987 -1.865 3 H3 THR 1 H3 THR 1 -9.494 6.965 -3.465 4 HA THR 1 HA THR 1 -7.597 5.466 -3.081 5 HB THR 1 HB THR 1 -6.184 6.538 -4.962 6 HG21 THR 1 HG21 THR 1 -7.956 4.789 -5.230 7 HG22 THR 1 HG22 THR 1 -7.909 5.881 -6.601 8 HG23 THR 1 HG23 THR 1 -9.171 6.058 -5.376 9 H GLN 2 H GLN 2 -5.406 5.210 -2.549 10 HA GLN 2 HA GLN 2 -4.405 7.181 -0.678 11 HB2 GLN 2 HB2 GLN 2 -4.361 4.747 -0.156 12 HB3 GLN 2 HB3 GLN 2 -3.284 4.488 -1.517 13 HG2 GLN 2 HG2 GLN 2 -2.057 4.502 0.583 14 HG3 GLN 2 HG3 GLN 2 -1.584 5.860 -0.436 15 HE21 GLN 2 HE21 GLN 2 -3.209 4.892 2.450 16 HE22 GLN 2 HE22 GLN 2 -3.352 6.465 3.140 17 H SER 3 H SER 3 -2.427 8.253 -0.912 18 HA SER 3 HA SER 3 -1.795 8.920 -3.659 19 HB2 SER 3 HB2 SER 3 -0.735 10.058 -1.071 20 HB3 SER 3 HB3 SER 3 -0.472 10.724 -2.684 21 HG SER 3 HG SER 3 -2.977 10.387 -1.388 22 H HIS 4 H HIS 4 0.461 9.241 -4.320 23 HA HIS 4 HA HIS 4 2.086 6.961 -4.177 24 HB2 HIS 4 HB2 HIS 4 2.068 8.779 -5.966 25 HB3 HIS 4 HB3 HIS 4 2.943 9.799 -4.838 26 HD1 HIS 4 HD1 HIS 4 5.288 9.937 -5.632 27 HD2 HIS 4 HD2 HIS 4 3.715 6.134 -6.142 28 HE1 HIS 4 HE1 HIS 4 7.124 8.589 -6.675 29 HE2 HIS 4 HE2 HIS 4 6.054 6.387 -7.217 30 H TYR 5 H TYR 5 3.555 6.341 -2.701 31 HA TYR 5 HA TYR 5 4.910 6.224 -0.934 32 HB2 TYR 5 HB2 TYR 5 4.886 9.227 -1.048 33 HB3 TYR 5 HB3 TYR 5 5.603 8.405 0.327 34 HD1 TYR 5 HD1 TYR 5 5.923 9.146 -3.235 35 HD2 TYR 5 HD2 TYR 5 7.663 7.151 0.081 36 HE1 TYR 5 HE1 TYR 5 8.036 8.938 -4.469 37 HE2 TYR 5 HE2 TYR 5 9.780 6.934 -1.140 38 HH TYR 5 HH TYR 5 10.428 8.700 -3.903 39 H GLY 6 H GLY 6 1.845 6.676 -0.806 40 HA2 GLY 6 HA2 GLY 6 1.671 7.040 2.079 41 HA3 GLY 6 HA3 GLY 6 0.319 6.928 0.951 42 H GLN 7 H GLN 7 0.488 5.440 3.324 43 HA GLN 7 HA GLN 7 1.321 2.770 2.569 44 HB2 GLN 7 HB2 GLN 7 1.593 3.535 4.948 45 HB3 GLN 7 HB3 GLN 7 -0.160 3.681 5.031 46 HG2 GLN 7 HG2 GLN 7 -0.440 1.303 4.773 47 HG3 GLN 7 HG3 GLN 7 1.296 1.089 4.553 48 HE21 GLN 7 HE21 GLN 7 1.389 -0.367 6.388 49 HE22 GLN 7 HE22 GLN 7 1.290 0.259 7.962 50 H CYS 8 H CYS 8 0.111 1.804 1.182 51 HA CYS 8 HA CYS 8 -2.649 2.376 0.828 52 HB2 CYS 8 HB2 CYS 8 -2.474 0.391 -0.773 53 HB3 CYS 8 HB3 CYS 8 -1.531 1.832 -1.129 54 H GLY 9 H GLY 9 -1.033 -0.656 1.724 55 HA2 GLY 9 HA2 GLY 9 -2.948 -1.188 3.714 56 HA3 GLY 9 HA3 GLY 9 -3.391 -2.023 2.235 57 H GLY 10 H GLY 10 -1.162 -1.763 4.813 58 HA2 GLY 10 HA2 GLY 10 0.072 -4.290 4.029 59 HA3 GLY 10 HA3 GLY 10 0.668 -3.204 5.289 60 H ILE 11 H ILE 11 0.470 -5.639 6.226 61 HA ILE 11 HA ILE 11 -2.073 -6.469 7.065 62 HB ILE 11 HB ILE 11 0.638 -6.999 8.328 63 HG12 ILE 11 HG12 ILE 11 -1.045 -8.720 6.488 64 HG13 ILE 11 HG13 ILE 11 0.363 -7.790 5.988 65 HG21 ILE 11 HG21 ILE 11 -2.001 -8.393 8.814 66 HG22 ILE 11 HG22 ILE 11 -1.133 -7.382 9.968 67 HG23 ILE 11 HG23 ILE 11 -0.437 -8.917 9.440 68 HD11 ILE 11 HD11 ILE 11 0.355 -10.061 7.965 69 HD12 ILE 11 HD12 ILE 11 1.772 -9.149 7.436 70 HD13 ILE 11 HD13 ILE 11 0.888 -10.145 6.284 71 H GLY 12 H GLY 12 -3.424 -5.439 8.315 72 HA2 GLY 12 HA2 GLY 12 -3.959 -4.742 10.567 73 HA3 GLY 12 HA3 GLY 12 -2.377 -3.982 10.647 74 H TYR 13 H TYR 13 -3.053 -3.129 7.719 75 HA TYR 13 HA TYR 13 -4.202 -0.599 8.611 76 HB2 TYR 13 HB2 TYR 13 -2.081 -0.666 7.237 77 HB3 TYR 13 HB3 TYR 13 -3.040 -1.273 5.893 78 HD1 TYR 13 HD1 TYR 13 -4.555 0.212 4.690 79 HD2 TYR 13 HD2 TYR 13 -2.254 1.634 7.960 80 HE1 TYR 13 HE1 TYR 13 -5.065 2.507 4.033 81 HE2 TYR 13 HE2 TYR 13 -2.755 3.953 7.318 82 HH TYR 13 HH TYR 13 -5.176 4.788 5.251 83 H SER 14 H SER 14 -6.334 -0.200 8.318 84 HA SER 14 HA SER 14 -7.767 -1.859 6.370 85 HB2 SER 14 HB2 SER 14 -9.709 -1.477 7.966 86 HB3 SER 14 HB3 SER 14 -8.400 -2.503 8.560 87 HG SER 14 HG SER 14 -8.653 -1.164 10.173 88 H GLY 15 H GLY 15 -6.543 0.871 6.083 89 HA2 GLY 15 HA2 GLY 15 -8.883 2.584 5.714 90 HA3 GLY 15 HA3 GLY 15 -7.201 3.078 5.540 91 HA PRO 16 HA PRO 16 -8.743 2.649 1.253 92 HB2 PRO 16 HB2 PRO 16 -7.227 4.639 0.184 93 HB3 PRO 16 HB3 PRO 16 -8.789 4.920 0.963 94 HG2 PRO 16 HG2 PRO 16 -6.036 5.327 2.031 95 HG3 PRO 16 HG3 PRO 16 -7.493 6.301 2.283 96 HD2 PRO 16 HD2 PRO 16 -6.504 4.489 4.095 97 HD3 PRO 16 HD3 PRO 16 -8.203 4.996 4.022 98 H THR 17 H THR 17 -7.827 0.792 0.638 99 HA THR 17 HA THR 17 -4.981 0.519 0.655 100 HB THR 17 HB THR 17 -5.517 -1.863 0.052 101 HG1 THR 17 HG1 THR 17 -7.448 -2.125 -0.701 102 HG21 THR 17 HG21 THR 17 -5.219 -1.119 2.399 103 HG22 THR 17 HG22 THR 17 -6.403 -2.423 2.273 104 HG23 THR 17 HG23 THR 17 -6.938 -0.756 2.485 105 H VAL 18 H VAL 18 -7.445 1.279 -1.551 106 HA VAL 18 HA VAL 18 -6.038 0.424 -3.912 107 HB VAL 18 HB VAL 18 -8.392 2.334 -3.664 108 HG11 VAL 18 HG11 VAL 18 -7.175 2.650 -5.772 109 HG12 VAL 18 HG12 VAL 18 -8.753 1.916 -6.056 110 HG13 VAL 18 HG13 VAL 18 -7.298 0.921 -6.104 111 HG21 VAL 18 HG21 VAL 18 -8.901 0.077 -2.855 112 HG22 VAL 18 HG22 VAL 18 -8.339 -0.591 -4.395 113 HG23 VAL 18 HG23 VAL 18 -9.763 0.443 -4.349 114 H CYS 19 H CYS 19 -4.311 1.401 -4.658 115 HA CYS 19 HA CYS 19 -3.546 4.025 -3.827 116 HB2 CYS 19 HB2 CYS 19 -2.335 2.130 -5.835 117 HB3 CYS 19 HB3 CYS 19 -1.603 3.640 -5.307 118 H ALA 20 H ALA 20 -3.040 5.746 -5.263 119 HA ALA 20 HA ALA 20 -5.126 6.367 -7.031 120 HB1 ALA 20 HB1 ALA 20 -3.879 8.413 -7.467 121 HB2 ALA 20 HB2 ALA 20 -2.450 7.723 -6.699 122 HB3 ALA 20 HB3 ALA 20 -3.889 8.055 -5.739 123 H SER 21 H SER 21 -4.651 7.203 -9.258 124 HA SER 21 HA SER 21 -4.027 5.090 -10.905 125 HB2 SER 21 HB2 SER 21 -4.216 7.045 -12.613 126 HB3 SER 21 HB3 SER 21 -5.627 6.591 -11.647 127 HG SER 21 HG SER 21 -3.789 8.673 -11.134 128 H GLY 22 H GLY 22 -2.092 4.368 -11.466 129 HA2 GLY 22 HA2 GLY 22 -0.060 4.718 -12.644 130 HA3 GLY 22 HA3 GLY 22 0.067 6.301 -11.893 131 H THR 23 H THR 23 -0.922 4.537 -9.405 132 HA THR 23 HA THR 23 1.834 3.828 -8.705 133 HB THR 23 HB THR 23 1.340 4.444 -6.359 134 HG1 THR 23 HG1 THR 23 -1.225 4.858 -7.431 135 HG21 THR 23 HG21 THR 23 2.305 6.139 -7.836 136 HG22 THR 23 HG22 THR 23 1.221 6.869 -6.646 137 HG23 THR 23 HG23 THR 23 0.682 6.645 -8.309 138 H THR 24 H THR 24 2.192 1.869 -7.764 139 HA THR 24 HA THR 24 -0.153 0.132 -7.548 140 HB THR 24 HB THR 24 1.536 -1.750 -7.704 141 HG1 THR 24 HG1 THR 24 3.282 0.412 -7.774 142 HG21 THR 24 HG21 THR 24 1.425 0.164 -10.040 143 HG22 THR 24 HG22 THR 24 0.232 -1.076 -9.661 144 HG23 THR 24 HG23 THR 24 1.867 -1.540 -10.141 145 H CYS 25 H CYS 25 -0.461 -1.077 -5.664 146 HA CYS 25 HA CYS 25 0.796 -0.004 -3.327 147 HB2 CYS 25 HB2 CYS 25 -1.592 -0.644 -3.264 148 HB3 CYS 25 HB3 CYS 25 -1.166 -2.309 -3.625 149 H GLN 26 H GLN 26 2.845 -0.545 -3.090 150 HA GLN 26 HA GLN 26 3.642 -3.273 -3.699 151 HB2 GLN 26 HB2 GLN 26 5.315 -0.822 -3.178 152 HB3 GLN 26 HB3 GLN 26 5.937 -2.410 -3.593 153 HG2 GLN 26 HG2 GLN 26 4.715 -2.271 -5.747 154 HG3 GLN 26 HG3 GLN 26 4.246 -0.628 -5.322 155 HE21 GLN 26 HE21 GLN 26 5.324 0.272 -7.049 156 HE22 GLN 26 HE22 GLN 26 7.041 0.353 -7.119 157 H VAL 27 H VAL 27 3.798 -4.610 -2.150 158 HA VAL 27 HA VAL 27 3.737 -3.846 0.608 159 HB VAL 27 HB VAL 27 4.220 -6.570 -0.670 160 HG11 VAL 27 HG11 VAL 27 3.419 -5.891 2.154 161 HG12 VAL 27 HG12 VAL 27 4.981 -6.525 1.635 162 HG13 VAL 27 HG13 VAL 27 3.528 -7.515 1.476 163 HG21 VAL 27 HG21 VAL 27 2.067 -5.664 -1.335 164 HG22 VAL 27 HG22 VAL 27 1.657 -5.355 0.355 165 HG23 VAL 27 HG23 VAL 27 1.849 -7.011 -0.214 166 H LEU 28 H LEU 28 5.551 -2.805 1.231 167 HA LEU 28 HA LEU 28 8.173 -3.612 0.265 168 HB2 LEU 28 HB2 LEU 28 7.534 -1.581 2.405 169 HB3 LEU 28 HB3 LEU 28 9.043 -1.754 1.535 170 HG LEU 28 HG LEU 28 6.429 -0.700 0.467 171 HD11 LEU 28 HD11 LEU 28 9.121 0.584 0.810 172 HD12 LEU 28 HD12 LEU 28 7.714 0.831 1.838 173 HD13 LEU 28 HD13 LEU 28 7.675 1.352 0.152 174 HD21 LEU 28 HD21 LEU 28 7.607 -0.295 -1.631 175 HD22 LEU 28 HD22 LEU 28 7.484 -2.021 -1.283 176 HD23 LEU 28 HD23 LEU 28 9.012 -1.167 -1.018 177 H ASN 29 H ASN 29 6.305 -3.613 3.185 178 HA ASN 29 HA ASN 29 8.037 -5.674 4.333 179 HB2 ASN 29 HB2 ASN 29 6.757 -3.322 5.786 180 HB3 ASN 29 HB3 ASN 29 7.542 -4.689 6.563 181 HD21 ASN 29 HD21 ASN 29 7.997 -1.758 4.772 182 HD22 ASN 29 HD22 ASN 29 9.685 -1.595 5.068 183 HA PRO 30 HA PRO 30 4.129 -7.734 4.736 184 HB2 PRO 30 HB2 PRO 30 4.515 -8.013 7.676 185 HB3 PRO 30 HB3 PRO 30 4.207 -9.263 6.465 186 HG2 PRO 30 HG2 PRO 30 6.629 -9.000 7.503 187 HG3 PRO 30 HG3 PRO 30 6.432 -9.329 5.773 188 HD2 PRO 30 HD2 PRO 30 7.048 -6.740 7.149 189 HD3 PRO 30 HD3 PRO 30 7.747 -7.387 5.656 190 H TYR 31 H TYR 31 4.802 -5.321 7.231 191 HA TYR 31 HA TYR 31 1.926 -4.847 7.451 192 HB2 TYR 31 HB2 TYR 31 4.158 -3.751 9.186 193 HB3 TYR 31 HB3 TYR 31 2.428 -3.598 9.469 194 HD1 TYR 31 HD1 TYR 31 1.102 -5.604 10.070 195 HD2 TYR 31 HD2 TYR 31 5.337 -5.738 9.791 196 HE1 TYR 31 HE1 TYR 31 1.108 -7.727 11.292 197 HE2 TYR 31 HE2 TYR 31 5.355 -7.863 11.027 198 HH TYR 31 HH TYR 31 3.848 -9.080 12.633 199 H TYR 32 H TYR 32 4.851 -3.385 6.235 200 HA TYR 32 HA TYR 32 3.308 -0.957 5.740 201 HB2 TYR 32 HB2 TYR 32 5.599 -0.654 6.831 202 HB3 TYR 32 HB3 TYR 32 6.279 -1.253 5.336 203 HD1 TYR 32 HD1 TYR 32 6.814 0.207 3.626 204 HD2 TYR 32 HD2 TYR 32 3.965 1.401 6.537 205 HE1 TYR 32 HE1 TYR 32 6.692 2.432 2.585 206 HE2 TYR 32 HE2 TYR 32 3.836 3.634 5.516 207 HH TYR 32 HH TYR 32 5.225 5.090 4.090 208 H SER 33 H SER 33 2.305 -0.892 3.907 209 HA SER 33 HA SER 33 3.666 -1.817 1.488 210 HB2 SER 33 HB2 SER 33 0.693 -1.592 2.067 211 HB3 SER 33 HB3 SER 33 1.389 -2.182 0.565 212 HG SER 33 HG SER 33 0.717 -3.827 2.054 213 H GLN 34 H GLN 34 3.761 -0.265 -0.169 214 HA GLN 34 HA GLN 34 2.743 2.396 0.553 215 HB2 GLN 34 HB2 GLN 34 5.115 2.200 1.142 216 HB3 GLN 34 HB3 GLN 34 5.485 1.720 -0.504 217 HG2 GLN 34 HG2 GLN 34 4.823 3.894 -1.316 218 HG3 GLN 34 HG3 GLN 34 4.346 4.378 0.313 219 HE21 GLN 34 HE21 GLN 34 5.971 4.774 1.836 220 HE22 GLN 34 HE22 GLN 34 7.597 5.080 1.355 221 H CYS 35 H CYS 35 1.926 3.557 -1.105 222 HA CYS 35 HA CYS 35 1.505 2.264 -3.627 223 HB2 CYS 35 HB2 CYS 35 0.826 5.074 -2.743 224 HB3 CYS 35 HB3 CYS 35 0.320 4.339 -4.257 225 H LEU 36 H LEU 36 3.139 2.083 -4.919 226 HA LEU 36 HA LEU 36 4.631 4.489 -5.621 227 HB2 LEU 36 HB2 LEU 36 5.694 1.688 -5.319 228 HB3 LEU 36 HB3 LEU 36 6.571 2.972 -6.120 229 HG LEU 36 HG LEU 36 5.748 3.004 -3.216 230 HD11 LEU 36 HD11 LEU 36 8.112 2.618 -2.756 231 HD12 LEU 36 HD12 LEU 36 8.436 2.475 -4.484 232 HD13 LEU 36 HD13 LEU 36 7.422 1.279 -3.672 233 HD21 LEU 36 HD21 LEU 36 7.297 4.912 -3.079 234 HD22 LEU 36 HD22 LEU 36 5.953 5.245 -4.164 235 HD23 LEU 36 HD23 LEU 36 7.537 4.833 -4.823 236 H1 MAN 101 H1 MAN 101 -6.312 8.296 -6.758 237 H2 MAN 101 H2 MAN 101 -7.855 10.557 -5.555 238 H3 MAN 101 H3 MAN 101 -9.120 10.642 -7.531 239 H4 MAN 101 H4 MAN 101 -6.544 9.814 -8.938 240 H5 MAN 101 H5 MAN 101 -9.180 8.304 -9.123 241 H61 MAN 101 H61 MAN 101 -6.212 7.678 -9.012 242 H62 MAN 101 H62 MAN 101 -7.314 7.432 -10.373 243 HO2 MAN 101 HO2 MAN 101 -6.128 11.630 -6.546 244 HO3 MAN 101 HO3 MAN 101 -8.096 12.331 -8.719 245 HO4 MAN 101 HO4 MAN 101 -9.115 10.560 -9.959 246 HO6 MAN 101 HO6 MAN 101 -8.403 6.112 -8.375 Start of MODEL 3 1 H1 THR 1 H1 THR 1 -8.532 7.675 -2.299 2 H2 THR 1 H2 THR 1 -8.650 6.293 -1.366 3 H3 THR 1 H3 THR 1 -9.308 6.301 -2.917 4 HA THR 1 HA THR 1 -7.239 5.107 -2.886 5 HB THR 1 HB THR 1 -5.908 6.577 -4.456 6 HG21 THR 1 HG21 THR 1 -7.626 6.383 -6.254 7 HG22 THR 1 HG22 THR 1 -8.862 6.148 -5.014 8 HG23 THR 1 HG23 THR 1 -7.593 4.952 -5.227 9 H GLN 2 H GLN 2 -5.129 4.960 -2.310 10 HA GLN 2 HA GLN 2 -4.202 6.801 -0.285 11 HB2 GLN 2 HB2 GLN 2 -3.921 4.319 -0.030 12 HB3 GLN 2 HB3 GLN 2 -2.868 4.336 -1.437 13 HG2 GLN 2 HG2 GLN 2 -1.473 4.314 0.503 14 HG3 GLN 2 HG3 GLN 2 -1.369 5.906 -0.234 15 HE21 GLN 2 HE21 GLN 2 -4.001 4.694 1.731 16 HE22 GLN 2 HE22 GLN 2 -3.799 5.780 3.039 17 H SER 3 H SER 3 -2.370 8.040 -0.583 18 HA SER 3 HA SER 3 -1.868 8.754 -3.330 19 HB2 SER 3 HB2 SER 3 -0.796 9.964 -0.780 20 HB3 SER 3 HB3 SER 3 -0.775 10.693 -2.390 21 HG SER 3 HG SER 3 -3.153 9.832 -1.177 22 H HIS 4 H HIS 4 0.336 9.122 -4.051 23 HA HIS 4 HA HIS 4 1.975 6.862 -3.974 24 HB2 HIS 4 HB2 HIS 4 1.805 8.662 -5.752 25 HB3 HIS 4 HB3 HIS 4 2.746 9.695 -4.696 26 HD1 HIS 4 HD1 HIS 4 4.891 9.926 -5.952 27 HD2 HIS 4 HD2 HIS 4 3.596 5.997 -5.783 28 HE1 HIS 4 HE1 HIS 4 6.639 8.600 -7.132 29 HE2 HIS 4 HE2 HIS 4 5.701 6.292 -7.249 30 H TYR 5 H TYR 5 3.595 6.271 -2.637 31 HA TYR 5 HA TYR 5 5.083 6.201 -0.999 32 HB2 TYR 5 HB2 TYR 5 4.985 9.190 -1.201 33 HB3 TYR 5 HB3 TYR 5 5.828 8.430 0.145 34 HD1 TYR 5 HD1 TYR 5 7.953 7.568 -0.120 35 HD2 TYR 5 HD2 TYR 5 5.739 8.648 -3.558 36 HE1 TYR 5 HE1 TYR 5 9.985 7.301 -1.490 37 HE2 TYR 5 HE2 TYR 5 7.756 8.387 -4.947 38 HH TYR 5 HH TYR 5 10.603 6.884 -3.805 39 H GLY 6 H GLY 6 2.042 6.558 -0.588 40 HA2 GLY 6 HA2 GLY 6 2.178 6.816 2.327 41 HA3 GLY 6 HA3 GLY 6 0.713 6.890 1.348 42 H GLN 7 H GLN 7 1.096 5.188 3.603 43 HA GLN 7 HA GLN 7 1.647 2.543 2.665 44 HB2 GLN 7 HB2 GLN 7 1.888 3.362 5.095 45 HB3 GLN 7 HB3 GLN 7 0.133 3.254 5.182 46 HG2 GLN 7 HG2 GLN 7 0.260 0.861 4.655 47 HG3 GLN 7 HG3 GLN 7 2.014 0.972 4.600 48 HE21 GLN 7 HE21 GLN 7 -0.736 0.835 6.578 49 HE22 GLN 7 HE22 GLN 7 0.054 0.698 8.102 50 H CYS 8 H CYS 8 0.349 1.623 1.265 51 HA CYS 8 HA CYS 8 -2.329 2.457 0.832 52 HB2 CYS 8 HB2 CYS 8 -2.269 0.437 -0.774 53 HB3 CYS 8 HB3 CYS 8 -1.230 1.818 -1.108 54 H GLY 9 H GLY 9 -1.125 -0.778 1.646 55 HA2 GLY 9 HA2 GLY 9 -3.172 -1.032 3.611 56 HA3 GLY 9 HA3 GLY 9 -3.590 -1.867 2.131 57 H GLY 10 H GLY 10 -0.967 -1.537 4.439 58 HA2 GLY 10 HA2 GLY 10 -0.073 -4.233 3.883 59 HA3 GLY 10 HA3 GLY 10 0.615 -3.131 5.079 60 H ILE 11 H ILE 11 0.373 -5.485 6.137 61 HA ILE 11 HA ILE 11 -2.145 -6.326 7.016 62 HB ILE 11 HB ILE 11 0.559 -6.736 8.342 63 HG12 ILE 11 HG12 ILE 11 -1.025 -8.524 6.473 64 HG13 ILE 11 HG13 ILE 11 0.408 -7.604 6.039 65 HG21 ILE 11 HG21 ILE 11 -0.483 -8.648 9.488 66 HG22 ILE 11 HG22 ILE 11 -2.045 -8.203 8.801 67 HG23 ILE 11 HG23 ILE 11 -1.245 -7.122 9.942 68 HD11 ILE 11 HD11 ILE 11 0.933 -9.944 6.389 69 HD12 ILE 11 HD12 ILE 11 0.286 -9.863 8.028 70 HD13 ILE 11 HD13 ILE 11 1.728 -8.939 7.601 71 H GLY 12 H GLY 12 -3.535 -5.312 8.249 72 HA2 GLY 12 HA2 GLY 12 -4.102 -4.533 10.454 73 HA3 GLY 12 HA3 GLY 12 -2.529 -3.751 10.533 74 H TYR 13 H TYR 13 -3.384 -3.155 7.505 75 HA TYR 13 HA TYR 13 -4.730 -0.642 8.236 76 HB2 TYR 13 HB2 TYR 13 -2.404 -0.636 7.135 77 HB3 TYR 13 HB3 TYR 13 -3.207 -1.215 5.688 78 HD1 TYR 13 HD1 TYR 13 -2.397 1.631 7.722 79 HD2 TYR 13 HD2 TYR 13 -4.909 0.301 4.569 80 HE1 TYR 13 HE1 TYR 13 -2.804 3.959 7.087 81 HE2 TYR 13 HE2 TYR 13 -5.347 2.644 3.930 82 HH TYR 13 HH TYR 13 -3.487 5.226 5.209 83 H SER 14 H SER 14 -6.792 -0.361 7.495 84 HA SER 14 HA SER 14 -7.681 -2.028 5.258 85 HB2 SER 14 HB2 SER 14 -9.888 -2.242 6.493 86 HB3 SER 14 HB3 SER 14 -8.533 -3.144 7.178 87 HG SER 14 HG SER 14 -9.630 -0.684 8.041 88 H GLY 15 H GLY 15 -7.094 0.997 6.086 89 HA2 GLY 15 HA2 GLY 15 -9.538 2.349 5.386 90 HA3 GLY 15 HA3 GLY 15 -7.959 3.073 5.598 91 HA PRO 16 HA PRO 16 -8.483 3.496 1.117 92 HB2 PRO 16 HB2 PRO 16 -6.433 5.301 0.812 93 HB3 PRO 16 HB3 PRO 16 -8.092 5.739 1.218 94 HG2 PRO 16 HG2 PRO 16 -5.712 5.498 2.987 95 HG3 PRO 16 HG3 PRO 16 -7.056 6.648 3.065 96 HD2 PRO 16 HD2 PRO 16 -6.821 4.465 4.707 97 HD3 PRO 16 HD3 PRO 16 -8.371 5.206 4.265 98 H THR 17 H THR 17 -7.801 1.399 0.845 99 HA THR 17 HA THR 17 -5.045 0.656 0.922 100 HB THR 17 HB THR 17 -6.088 -1.559 0.186 101 HG1 THR 17 HG1 THR 17 -8.281 -1.686 0.212 102 HG21 THR 17 HG21 THR 17 -5.486 -1.056 2.532 103 HG22 THR 17 HG22 THR 17 -6.973 -2.001 2.441 104 HG23 THR 17 HG23 THR 17 -7.049 -0.267 2.750 105 H VAL 18 H VAL 18 -7.413 1.498 -1.474 106 HA VAL 18 HA VAL 18 -5.889 0.435 -3.688 107 HB VAL 18 HB VAL 18 -8.316 2.269 -3.697 108 HG11 VAL 18 HG11 VAL 18 -8.576 1.620 -6.053 109 HG12 VAL 18 HG12 VAL 18 -7.063 0.719 -5.965 110 HG13 VAL 18 HG13 VAL 18 -7.058 2.473 -5.776 111 HG21 VAL 18 HG21 VAL 18 -8.123 -0.710 -4.143 112 HG22 VAL 18 HG22 VAL 18 -9.593 0.260 -4.263 113 HG23 VAL 18 HG23 VAL 18 -8.780 0.075 -2.709 114 H CYS 19 H CYS 19 -4.395 1.509 -4.819 115 HA CYS 19 HA CYS 19 -3.551 4.071 -3.839 116 HB2 CYS 19 HB2 CYS 19 -2.411 2.262 -5.959 117 HB3 CYS 19 HB3 CYS 19 -1.653 3.744 -5.391 118 H ALA 20 H ALA 20 -2.871 5.766 -5.361 119 HA ALA 20 HA ALA 20 -5.020 6.644 -6.978 120 HB1 ALA 20 HB1 ALA 20 -3.589 8.557 -7.467 121 HB2 ALA 20 HB2 ALA 20 -2.196 7.697 -6.816 122 HB3 ALA 20 HB3 ALA 20 -3.512 8.169 -5.745 123 H SER 21 H SER 21 -4.944 7.120 -9.235 124 HA SER 21 HA SER 21 -4.293 5.061 -10.909 125 HB2 SER 21 HB2 SER 21 -4.598 6.858 -12.717 126 HB3 SER 21 HB3 SER 21 -5.936 6.593 -11.604 127 HG SER 21 HG SER 21 -4.003 8.670 -11.536 128 H GLY 22 H GLY 22 -2.364 4.254 -11.368 129 HA2 GLY 22 HA2 GLY 22 -0.418 4.525 -12.752 130 HA3 GLY 22 HA3 GLY 22 -0.204 6.128 -12.055 131 H THR 23 H THR 23 -1.098 4.608 -9.459 132 HA THR 23 HA THR 23 1.623 3.696 -8.871 133 HB THR 23 HB THR 23 1.269 4.420 -6.523 134 HG1 THR 23 HG1 THR 23 -1.289 4.995 -7.526 135 HG21 THR 23 HG21 THR 23 0.745 6.592 -8.551 136 HG22 THR 23 HG22 THR 23 2.326 5.962 -8.087 137 HG23 THR 23 HG23 THR 23 1.349 6.837 -6.912 138 H THR 24 H THR 24 1.876 1.796 -7.687 139 HA THR 24 HA THR 24 -0.595 0.288 -7.295 140 HB THR 24 HB THR 24 0.945 -1.750 -7.578 141 HG1 THR 24 HG1 THR 24 2.776 0.214 -7.951 142 HG21 THR 24 HG21 THR 24 0.709 -1.700 -10.040 143 HG22 THR 24 HG22 THR 24 0.349 0.024 -9.955 144 HG23 THR 24 HG23 THR 24 -0.751 -1.140 -9.225 145 H CYS 25 H CYS 25 -0.612 -1.193 -5.518 146 HA CYS 25 HA CYS 25 0.750 -0.090 -3.242 147 HB2 CYS 25 HB2 CYS 25 -1.624 -0.806 -3.090 148 HB3 CYS 25 HB3 CYS 25 -1.146 -2.458 -3.455 149 H GLN 26 H GLN 26 2.863 -0.612 -3.092 150 HA GLN 26 HA GLN 26 3.585 -3.348 -3.758 151 HB2 GLN 26 HB2 GLN 26 5.382 -0.934 -3.495 152 HB3 GLN 26 HB3 GLN 26 5.908 -2.554 -3.930 153 HG2 GLN 26 HG2 GLN 26 4.393 -2.425 -5.918 154 HG3 GLN 26 HG3 GLN 26 4.118 -0.732 -5.517 155 HE21 GLN 26 HE21 GLN 26 5.026 0.050 -7.368 156 HE22 GLN 26 HE22 GLN 26 6.705 -0.053 -7.731 157 H VAL 27 H VAL 27 4.328 -4.684 -2.334 158 HA VAL 27 HA VAL 27 4.094 -4.009 0.452 159 HB VAL 27 HB VAL 27 4.983 -6.622 -0.820 160 HG11 VAL 27 HG11 VAL 27 4.278 -7.658 1.279 161 HG12 VAL 27 HG12 VAL 27 3.887 -6.067 1.928 162 HG13 VAL 27 HG13 VAL 27 5.557 -6.469 1.539 163 HG21 VAL 27 HG21 VAL 27 2.213 -5.750 -0.010 164 HG22 VAL 27 HG22 VAL 27 2.654 -7.375 -0.531 165 HG23 VAL 27 HG23 VAL 27 2.781 -6.020 -1.656 166 H LEU 28 H LEU 28 5.769 -2.819 1.226 167 HA LEU 28 HA LEU 28 8.493 -3.450 0.396 168 HB2 LEU 28 HB2 LEU 28 7.598 -1.372 2.395 169 HB3 LEU 28 HB3 LEU 28 9.173 -1.497 1.658 170 HG LEU 28 HG LEU 28 6.604 -0.589 0.372 171 HD11 LEU 28 HD11 LEU 28 7.831 1.467 -0.003 172 HD12 LEU 28 HD12 LEU 28 9.251 0.766 0.763 173 HD13 LEU 28 HD13 LEU 28 7.801 1.054 1.713 174 HD21 LEU 28 HD21 LEU 28 7.866 -0.273 -1.681 175 HD22 LEU 28 HD22 LEU 28 7.778 -1.984 -1.245 176 HD23 LEU 28 HD23 LEU 28 9.264 -1.064 -0.955 177 H ASN 29 H ASN 29 6.378 -3.613 3.135 178 HA ASN 29 HA ASN 29 8.123 -5.529 4.454 179 HB2 ASN 29 HB2 ASN 29 6.856 -3.093 5.786 180 HB3 ASN 29 HB3 ASN 29 7.485 -4.484 6.648 181 HD21 ASN 29 HD21 ASN 29 8.284 -1.609 4.880 182 HD22 ASN 29 HD22 ASN 29 9.948 -1.606 5.279 183 HA PRO 30 HA PRO 30 4.239 -7.659 5.036 184 HB2 PRO 30 HB2 PRO 30 4.651 -7.583 7.988 185 HB3 PRO 30 HB3 PRO 30 4.306 -8.965 6.942 186 HG2 PRO 30 HG2 PRO 30 6.743 -8.624 7.879 187 HG3 PRO 30 HG3 PRO 30 6.513 -9.111 6.191 188 HD2 PRO 30 HD2 PRO 30 7.174 -6.426 7.318 189 HD3 PRO 30 HD3 PRO 30 7.837 -7.206 5.871 190 H TYR 31 H TYR 31 4.792 -5.157 7.511 191 HA TYR 31 HA TYR 31 1.926 -4.626 7.535 192 HB2 TYR 31 HB2 TYR 31 4.132 -3.425 9.223 193 HB3 TYR 31 HB3 TYR 31 2.415 -3.119 9.412 194 HD1 TYR 31 HD1 TYR 31 5.147 -5.429 10.067 195 HD2 TYR 31 HD2 TYR 31 0.945 -4.876 10.302 196 HE1 TYR 31 HE1 TYR 31 4.998 -7.295 11.662 197 HE2 TYR 31 HE2 TYR 31 0.783 -6.734 11.887 198 HH TYR 31 HH TYR 31 2.074 -8.731 12.455 199 H TYR 32 H TYR 32 4.876 -3.275 6.260 200 HA TYR 32 HA TYR 32 3.395 -0.824 5.657 201 HB2 TYR 32 HB2 TYR 32 5.752 -0.619 6.733 202 HB3 TYR 32 HB3 TYR 32 6.352 -1.207 5.201 203 HD1 TYR 32 HD1 TYR 32 4.329 1.520 6.657 204 HD2 TYR 32 HD2 TYR 32 6.716 0.232 3.401 205 HE1 TYR 32 HE1 TYR 32 4.237 3.780 5.712 206 HE2 TYR 32 HE2 TYR 32 6.637 2.493 2.443 207 HH TYR 32 HH TYR 32 5.405 5.183 4.207 208 H SER 33 H SER 33 2.413 -0.844 3.818 209 HA SER 33 HA SER 33 3.830 -1.865 1.464 210 HB2 SER 33 HB2 SER 33 0.836 -1.768 1.981 211 HB3 SER 33 HB3 SER 33 1.594 -2.381 0.516 212 HG SER 33 HG SER 33 2.656 -3.602 2.658 213 H GLN 34 H GLN 34 3.984 -0.314 -0.187 214 HA GLN 34 HA GLN 34 2.834 2.304 0.516 215 HB2 GLN 34 HB2 GLN 34 5.221 2.169 1.052 216 HB3 GLN 34 HB3 GLN 34 5.577 1.743 -0.613 217 HG2 GLN 34 HG2 GLN 34 4.830 3.925 -1.363 218 HG3 GLN 34 HG3 GLN 34 4.347 4.340 0.282 219 HE21 GLN 34 HE21 GLN 34 5.959 4.795 1.787 220 HE22 GLN 34 HE22 GLN 34 7.563 5.177 1.300 221 H CYS 35 H CYS 35 1.959 3.460 -1.105 222 HA CYS 35 HA CYS 35 1.509 2.191 -3.619 223 HB2 CYS 35 HB2 CYS 35 0.889 4.998 -2.716 224 HB3 CYS 35 HB3 CYS 35 0.414 4.335 -4.271 225 H LEU 36 H LEU 36 3.001 1.967 -4.988 226 HA LEU 36 HA LEU 36 4.600 4.229 -5.851 227 HB2 LEU 36 HB2 LEU 36 5.559 1.393 -5.384 228 HB3 LEU 36 HB3 LEU 36 6.485 2.629 -6.201 229 HG LEU 36 HG LEU 36 5.625 2.772 -3.306 230 HD11 LEU 36 HD11 LEU 36 7.966 2.338 -2.793 231 HD12 LEU 36 HD12 LEU 36 8.309 2.101 -4.509 232 HD13 LEU 36 HD13 LEU 36 7.241 0.985 -3.659 233 HD21 LEU 36 HD21 LEU 36 7.223 4.631 -3.194 234 HD22 LEU 36 HD22 LEU 36 5.914 4.970 -4.319 235 HD23 LEU 36 HD23 LEU 36 7.502 4.495 -4.929 236 H1 MAN 101 H1 MAN 101 -5.916 8.520 -5.813 237 H2 MAN 101 H2 MAN 101 -7.593 10.747 -4.615 238 H3 MAN 101 H3 MAN 101 -6.333 12.243 -6.062 239 H4 MAN 101 H4 MAN 101 -7.244 11.514 -8.295 240 H5 MAN 101 H5 MAN 101 -8.610 9.334 -8.253 241 H61 MAN 101 H61 MAN 101 -5.580 9.227 -7.939 242 H62 MAN 101 H62 MAN 101 -6.529 9.165 -9.427 243 HO2 MAN 101 HO2 MAN 101 -5.517 11.420 -3.922 244 HO3 MAN 101 HO3 MAN 101 -4.457 10.917 -6.189 245 HO4 MAN 101 HO4 MAN 101 -8.583 12.429 -6.603 246 HO6 MAN 101 HO6 MAN 101 -7.530 7.209 -8.112 Start of MODEL 4 1 H1 THR 1 H1 THR 1 -9.370 7.165 -3.320 2 H2 THR 1 H2 THR 1 -8.292 8.391 -2.858 3 H3 THR 1 H3 THR 1 -8.721 7.202 -1.762 4 HA THR 1 HA THR 1 -7.616 5.540 -3.109 5 HB THR 1 HB THR 1 -6.019 6.417 -4.812 6 HG21 THR 1 HG21 THR 1 -7.728 6.702 -6.599 7 HG22 THR 1 HG22 THR 1 -8.942 7.048 -5.375 8 HG23 THR 1 HG23 THR 1 -8.218 5.446 -5.466 9 H GLN 2 H GLN 2 -5.398 5.116 -2.552 10 HA GLN 2 HA GLN 2 -4.428 6.931 -0.553 11 HB2 GLN 2 HB2 GLN 2 -4.324 4.434 -0.230 12 HB3 GLN 2 HB3 GLN 2 -3.144 4.368 -1.537 13 HG2 GLN 2 HG2 GLN 2 -2.081 4.350 0.679 14 HG3 GLN 2 HG3 GLN 2 -1.616 5.756 -0.283 15 HE21 GLN 2 HE21 GLN 2 -3.360 4.653 2.466 16 HE22 GLN 2 HE22 GLN 2 -3.663 6.202 3.170 17 H SER 3 H SER 3 -2.556 8.054 -0.692 18 HA SER 3 HA SER 3 -2.041 9.019 -3.335 19 HB2 SER 3 HB2 SER 3 -0.858 9.852 -0.693 20 HB3 SER 3 HB3 SER 3 -0.877 10.788 -2.190 21 HG SER 3 HG SER 3 -2.809 10.484 -0.295 22 H HIS 4 H HIS 4 0.222 9.450 -3.996 23 HA HIS 4 HA HIS 4 1.774 7.085 -4.081 24 HB2 HIS 4 HB2 HIS 4 1.655 8.894 -5.854 25 HB3 HIS 4 HB3 HIS 4 2.591 9.921 -4.786 26 HD1 HIS 4 HD1 HIS 4 4.809 10.110 -5.868 27 HD2 HIS 4 HD2 HIS 4 3.387 6.214 -5.956 28 HE1 HIS 4 HE1 HIS 4 6.606 8.755 -6.985 29 HE2 HIS 4 HE2 HIS 4 5.702 6.416 -7.068 30 H TYR 5 H TYR 5 3.335 6.421 -2.745 31 HA TYR 5 HA TYR 5 4.761 6.223 -1.081 32 HB2 TYR 5 HB2 TYR 5 4.735 9.247 -0.889 33 HB3 TYR 5 HB3 TYR 5 5.703 8.225 0.164 34 HD1 TYR 5 HD1 TYR 5 7.271 6.527 -1.089 35 HD2 TYR 5 HD2 TYR 5 5.692 10.071 -2.824 36 HE1 TYR 5 HE1 TYR 5 9.083 6.513 -2.748 37 HE2 TYR 5 HE2 TYR 5 7.494 10.063 -4.486 38 HH TYR 5 HH TYR 5 9.790 9.158 -4.677 39 H GLY 6 H GLY 6 1.728 6.708 -0.828 40 HA2 GLY 6 HA2 GLY 6 1.602 6.991 2.065 41 HA3 GLY 6 HA3 GLY 6 0.234 6.866 0.957 42 H GLN 7 H GLN 7 0.387 5.353 3.263 43 HA GLN 7 HA GLN 7 1.377 2.719 2.599 44 HB2 GLN 7 HB2 GLN 7 1.327 3.772 4.946 45 HB3 GLN 7 HB3 GLN 7 -0.406 3.494 4.900 46 HG2 GLN 7 HG2 GLN 7 -0.052 1.097 4.734 47 HG3 GLN 7 HG3 GLN 7 1.693 1.342 4.704 48 HE21 GLN 7 HE21 GLN 7 0.208 -0.211 6.641 49 HE22 GLN 7 HE22 GLN 7 0.464 0.534 8.161 50 H CYS 8 H CYS 8 0.243 1.596 1.163 51 HA CYS 8 HA CYS 8 -2.482 2.205 0.579 52 HB2 CYS 8 HB2 CYS 8 -2.257 0.248 -1.018 53 HB3 CYS 8 HB3 CYS 8 -1.185 1.619 -1.280 54 H GLY 9 H GLY 9 -1.007 -0.876 1.595 55 HA2 GLY 9 HA2 GLY 9 -3.006 -1.323 3.529 56 HA3 GLY 9 HA3 GLY 9 -3.429 -2.117 2.017 57 H GLY 10 H GLY 10 -1.180 -1.966 4.610 58 HA2 GLY 10 HA2 GLY 10 -0.071 -4.521 3.737 59 HA3 GLY 10 HA3 GLY 10 0.600 -3.491 5.003 60 H ILE 11 H ILE 11 0.477 -5.717 6.068 61 HA ILE 11 HA ILE 11 -2.038 -6.671 6.905 62 HB ILE 11 HB ILE 11 0.735 -7.099 8.051 63 HG12 ILE 11 HG12 ILE 11 -0.975 -8.849 6.274 64 HG13 ILE 11 HG13 ILE 11 0.380 -7.869 5.730 65 HG21 ILE 11 HG21 ILE 11 -0.207 -9.051 9.210 66 HG22 ILE 11 HG22 ILE 11 -1.813 -8.596 8.640 67 HG23 ILE 11 HG23 ILE 11 -0.948 -7.546 9.762 68 HD11 ILE 11 HD11 ILE 11 1.010 -10.190 5.958 69 HD12 ILE 11 HD12 ILE 11 0.501 -10.180 7.644 70 HD13 ILE 11 HD13 ILE 11 1.879 -9.202 7.134 71 H GLY 12 H GLY 12 -3.371 -5.853 8.375 72 HA2 GLY 12 HA2 GLY 12 -3.988 -4.992 10.463 73 HA3 GLY 12 HA3 GLY 12 -2.310 -4.558 10.751 74 H TYR 13 H TYR 13 -3.712 -3.621 7.772 75 HA TYR 13 HA TYR 13 -3.913 -0.856 8.758 76 HB2 TYR 13 HB2 TYR 13 -2.175 -1.300 7.004 77 HB3 TYR 13 HB3 TYR 13 -3.450 -1.825 5.917 78 HD1 TYR 13 HD1 TYR 13 -4.538 -0.264 4.556 79 HD2 TYR 13 HD2 TYR 13 -2.270 1.102 7.877 80 HE1 TYR 13 HE1 TYR 13 -4.836 2.044 3.803 81 HE2 TYR 13 HE2 TYR 13 -2.566 3.424 7.131 82 HH TYR 13 HH TYR 13 -3.054 4.622 4.983 83 H SER 14 H SER 14 -5.831 0.378 8.200 84 HA SER 14 HA SER 14 -7.982 -1.186 6.958 85 HB2 SER 14 HB2 SER 14 -9.456 -0.137 8.785 86 HB3 SER 14 HB3 SER 14 -8.406 -1.485 9.226 87 HG SER 14 HG SER 14 -7.391 -0.245 10.524 88 H GLY 15 H GLY 15 -6.305 1.102 6.033 89 HA2 GLY 15 HA2 GLY 15 -8.311 3.244 5.781 90 HA3 GLY 15 HA3 GLY 15 -6.599 3.381 5.402 91 HA PRO 16 HA PRO 16 -8.636 2.686 1.396 92 HB2 PRO 16 HB2 PRO 16 -7.316 4.574 -0.014 93 HB3 PRO 16 HB3 PRO 16 -8.731 4.939 0.981 94 HG2 PRO 16 HG2 PRO 16 -5.853 5.425 1.530 95 HG3 PRO 16 HG3 PRO 16 -7.269 6.381 2.004 96 HD2 PRO 16 HD2 PRO 16 -5.877 4.595 3.656 97 HD3 PRO 16 HD3 PRO 16 -7.503 5.237 3.949 98 H THR 17 H THR 17 -7.876 0.873 0.458 99 HA THR 17 HA THR 17 -5.038 0.400 0.302 100 HB THR 17 HB THR 17 -5.828 -1.857 -0.559 101 HG1 THR 17 HG1 THR 17 -7.865 -1.921 -1.069 102 HG21 THR 17 HG21 THR 17 -6.507 -2.611 1.665 103 HG22 THR 17 HG22 THR 17 -6.896 -0.948 2.114 104 HG23 THR 17 HG23 THR 17 -5.229 -1.399 1.815 105 H VAL 18 H VAL 18 -7.577 1.419 -1.712 106 HA VAL 18 HA VAL 18 -6.449 0.626 -4.220 107 HB VAL 18 HB VAL 18 -8.480 2.812 -3.644 108 HG11 VAL 18 HG11 VAL 18 -7.443 3.087 -5.835 109 HG12 VAL 18 HG12 VAL 18 -9.125 2.586 -6.000 110 HG13 VAL 18 HG13 VAL 18 -7.830 1.413 -6.240 111 HG21 VAL 18 HG21 VAL 18 -9.262 0.633 -2.872 112 HG22 VAL 18 HG22 VAL 18 -8.917 -0.060 -4.455 113 HG23 VAL 18 HG23 VAL 18 -10.177 1.163 -4.284 114 H CYS 19 H CYS 19 -4.590 1.440 -4.922 115 HA CYS 19 HA CYS 19 -3.553 3.880 -3.903 116 HB2 CYS 19 HB2 CYS 19 -2.500 1.999 -6.027 117 HB3 CYS 19 HB3 CYS 19 -1.697 3.488 -5.564 118 H ALA 20 H ALA 20 -2.532 5.436 -5.489 119 HA ALA 20 HA ALA 20 -4.613 6.765 -6.840 120 HB1 ALA 20 HB1 ALA 20 -2.904 8.395 -7.368 121 HB2 ALA 20 HB2 ALA 20 -1.643 7.258 -6.905 122 HB3 ALA 20 HB3 ALA 20 -2.744 7.893 -5.684 123 H SER 21 H SER 21 -4.505 7.421 -9.088 124 HA SER 21 HA SER 21 -4.302 5.173 -10.761 125 HB2 SER 21 HB2 SER 21 -4.555 8.087 -11.501 126 HB3 SER 21 HB3 SER 21 -5.054 6.698 -12.472 127 HG SER 21 HG SER 21 -6.256 6.331 -10.229 128 H GLY 22 H GLY 22 -2.409 4.360 -11.402 129 HA2 GLY 22 HA2 GLY 22 -0.498 4.511 -12.800 130 HA3 GLY 22 HA3 GLY 22 -0.342 6.203 -12.344 131 H THR 23 H THR 23 -1.052 4.190 -9.709 132 HA THR 23 HA THR 23 1.809 3.867 -9.095 133 HB THR 23 HB THR 23 1.362 4.401 -6.713 134 HG1 THR 23 HG1 THR 23 -1.267 4.742 -7.694 135 HG21 THR 23 HG21 THR 23 2.081 6.243 -8.162 136 HG22 THR 23 HG22 THR 23 0.975 6.821 -6.915 137 HG23 THR 23 HG23 THR 23 0.400 6.585 -8.566 138 H THR 24 H THR 24 2.243 2.057 -7.626 139 HA THR 24 HA THR 24 0.039 0.124 -7.636 140 HB THR 24 HB THR 24 1.867 -1.641 -7.786 141 HG1 THR 24 HG1 THR 24 3.410 0.658 -7.916 142 HG21 THR 24 HG21 THR 24 1.531 0.229 -10.140 143 HG22 THR 24 HG22 THR 24 0.447 -1.095 -9.710 144 HG23 THR 24 HG23 THR 24 2.094 -1.438 -10.234 145 H CYS 25 H CYS 25 -0.250 -1.160 -5.804 146 HA CYS 25 HA CYS 25 0.923 -0.114 -3.390 147 HB2 CYS 25 HB2 CYS 25 -1.448 -0.744 -3.378 148 HB3 CYS 25 HB3 CYS 25 -1.041 -2.389 -3.848 149 H GLN 26 H GLN 26 2.991 -0.655 -3.155 150 HA GLN 26 HA GLN 26 3.709 -3.415 -3.716 151 HB2 GLN 26 HB2 GLN 26 5.484 -0.990 -3.446 152 HB3 GLN 26 HB3 GLN 26 6.054 -2.626 -3.746 153 HG2 GLN 26 HG2 GLN 26 4.698 -2.650 -5.827 154 HG3 GLN 26 HG3 GLN 26 4.325 -0.952 -5.549 155 HE21 GLN 26 HE21 GLN 26 5.307 -0.316 -7.425 156 HE22 GLN 26 HE22 GLN 26 7.020 -0.332 -7.653 157 H VAL 27 H VAL 27 4.484 -4.691 -2.255 158 HA VAL 27 HA VAL 27 4.024 -3.929 0.490 159 HB VAL 27 HB VAL 27 4.729 -6.632 -0.701 160 HG11 VAL 27 HG11 VAL 27 5.323 -6.496 1.662 161 HG12 VAL 27 HG12 VAL 27 3.944 -7.569 1.418 162 HG13 VAL 27 HG13 VAL 27 3.693 -5.939 2.047 163 HG21 VAL 27 HG21 VAL 27 2.596 -5.838 -1.534 164 HG22 VAL 27 HG22 VAL 27 2.061 -5.485 0.106 165 HG23 VAL 27 HG23 VAL 27 2.334 -7.153 -0.388 166 H LEU 28 H LEU 28 5.667 -2.749 1.168 167 HA LEU 28 HA LEU 28 8.418 -3.351 0.580 168 HB2 LEU 28 HB2 LEU 28 7.179 -1.421 2.532 169 HB3 LEU 28 HB3 LEU 28 8.883 -1.497 2.138 170 HG LEU 28 HG LEU 28 6.698 -0.804 0.172 171 HD11 LEU 28 HD11 LEU 28 6.934 0.907 1.845 172 HD12 LEU 28 HD12 LEU 28 7.625 1.461 0.318 173 HD13 LEU 28 HD13 LEU 28 8.682 0.926 1.628 174 HD21 LEU 28 HD21 LEU 28 8.557 -0.107 -1.244 175 HD22 LEU 28 HD22 LEU 28 8.640 -1.834 -0.869 176 HD23 LEU 28 HD23 LEU 28 9.688 -0.686 -0.019 177 H ASN 29 H ASN 29 6.344 -3.414 3.413 178 HA ASN 29 HA ASN 29 8.079 -5.428 4.635 179 HB2 ASN 29 HB2 ASN 29 6.623 -3.155 6.031 180 HB3 ASN 29 HB3 ASN 29 7.517 -4.437 6.820 181 HD21 ASN 29 HD21 ASN 29 7.834 -1.573 6.998 182 HD22 ASN 29 HD22 ASN 29 9.448 -1.229 6.536 183 HA PRO 30 HA PRO 30 4.340 -7.764 5.035 184 HB2 PRO 30 HB2 PRO 30 4.592 -7.731 8.005 185 HB3 PRO 30 HB3 PRO 30 4.376 -9.102 6.909 186 HG2 PRO 30 HG2 PRO 30 6.754 -8.644 7.962 187 HG3 PRO 30 HG3 PRO 30 6.619 -9.093 6.251 188 HD2 PRO 30 HD2 PRO 30 7.075 -6.406 7.479 189 HD3 PRO 30 HD3 PRO 30 7.834 -7.129 6.045 190 H TYR 31 H TYR 31 4.514 -5.230 7.576 191 HA TYR 31 HA TYR 31 1.600 -5.005 7.467 192 HB2 TYR 31 HB2 TYR 31 3.502 -3.553 9.336 193 HB3 TYR 31 HB3 TYR 31 1.767 -3.719 9.487 194 HD1 TYR 31 HD1 TYR 31 4.990 -5.278 10.102 195 HD2 TYR 31 HD2 TYR 31 0.788 -5.892 10.175 196 HE1 TYR 31 HE1 TYR 31 5.315 -7.245 11.520 197 HE2 TYR 31 HE2 TYR 31 1.104 -7.868 11.600 198 HH TYR 31 HH TYR 31 4.023 -8.559 13.153 199 H TYR 32 H TYR 32 4.502 -3.383 6.529 200 HA TYR 32 HA TYR 32 2.983 -0.982 5.845 201 HB2 TYR 32 HB2 TYR 32 5.025 -0.672 7.188 202 HB3 TYR 32 HB3 TYR 32 5.981 -1.348 5.877 203 HD1 TYR 32 HD1 TYR 32 3.682 1.429 6.706 204 HD2 TYR 32 HD2 TYR 32 6.846 0.070 4.190 205 HE1 TYR 32 HE1 TYR 32 3.928 3.690 5.786 206 HE2 TYR 32 HE2 TYR 32 7.084 2.328 3.281 207 HH TYR 32 HH TYR 32 5.892 4.320 3.036 208 H SER 33 H SER 33 2.196 -0.930 3.907 209 HA SER 33 HA SER 33 3.863 -1.795 1.673 210 HB2 SER 33 HB2 SER 33 0.839 -1.962 1.916 211 HB3 SER 33 HB3 SER 33 1.796 -2.509 0.539 212 HG SER 33 HG SER 33 2.801 -3.647 2.714 213 H GLN 34 H GLN 34 3.718 -0.331 -0.149 214 HA GLN 34 HA GLN 34 2.512 2.244 0.544 215 HB2 GLN 34 HB2 GLN 34 4.739 2.430 1.354 216 HB3 GLN 34 HB3 GLN 34 5.398 1.685 -0.087 217 HG2 GLN 34 HG2 GLN 34 4.936 3.648 -1.376 218 HG3 GLN 34 HG3 GLN 34 4.068 4.379 -0.022 219 HE21 GLN 34 HE21 GLN 34 5.216 5.356 1.604 220 HE22 GLN 34 HE22 GLN 34 6.929 5.556 1.562 221 H CYS 35 H CYS 35 1.786 3.437 -1.121 222 HA CYS 35 HA CYS 35 1.526 2.181 -3.685 223 HB2 CYS 35 HB2 CYS 35 0.723 4.956 -2.781 224 HB3 CYS 35 HB3 CYS 35 0.325 4.255 -4.343 225 H LEU 36 H LEU 36 3.190 2.082 -4.905 226 HA LEU 36 HA LEU 36 4.849 4.442 -5.337 227 HB2 LEU 36 HB2 LEU 36 5.540 1.501 -5.507 228 HB3 LEU 36 HB3 LEU 36 6.608 2.800 -5.995 229 HG LEU 36 HG LEU 36 5.609 2.387 -3.174 230 HD11 LEU 36 HD11 LEU 36 7.101 0.581 -3.864 231 HD12 LEU 36 HD12 LEU 36 7.866 1.641 -2.680 232 HD13 LEU 36 HD13 LEU 36 8.293 1.774 -4.385 233 HD21 LEU 36 HD21 LEU 36 6.129 4.710 -3.682 234 HD22 LEU 36 HD22 LEU 36 7.703 4.230 -4.316 235 HD23 LEU 36 HD23 LEU 36 7.340 4.021 -2.605 236 H1 MAN 101 H1 MAN 101 -4.881 8.229 -5.563 237 H2 MAN 101 H2 MAN 101 -5.157 10.500 -4.465 238 H3 MAN 101 H3 MAN 101 -7.452 10.987 -5.129 239 H4 MAN 101 H4 MAN 101 -6.293 11.099 -7.949 240 H5 MAN 101 H5 MAN 101 -8.258 9.117 -6.656 241 H61 MAN 101 H61 MAN 101 -7.969 7.871 -8.785 242 H62 MAN 101 H62 MAN 101 -7.059 9.227 -9.472 243 HO2 MAN 101 HO2 MAN 101 -4.358 11.624 -6.318 244 HO3 MAN 101 HO3 MAN 101 -6.925 13.052 -6.119 245 HO4 MAN 101 HO4 MAN 101 -8.506 11.433 -8.423 246 HO6 MAN 101 HO6 MAN 101 -9.090 9.606 -10.139 Start of MODEL 5 1 H1 THR 1 H1 THR 1 -8.822 6.339 -0.319 2 H2 THR 1 H2 THR 1 -9.633 6.390 -1.795 3 H3 THR 1 H3 THR 1 -8.616 7.655 -1.326 4 HA THR 1 HA THR 1 -7.679 4.948 -1.951 5 HB THR 1 HB THR 1 -6.533 6.137 -3.799 6 HG21 THR 1 HG21 THR 1 -8.686 4.964 -4.239 7 HG22 THR 1 HG22 THR 1 -8.549 6.399 -5.257 8 HG23 THR 1 HG23 THR 1 -9.569 6.434 -3.824 9 H GLN 2 H GLN 2 -5.235 5.118 -2.192 10 HA GLN 2 HA GLN 2 -4.161 6.953 -0.185 11 HB2 GLN 2 HB2 GLN 2 -4.000 4.464 0.296 12 HB3 GLN 2 HB3 GLN 2 -2.970 4.336 -1.121 13 HG2 GLN 2 HG2 GLN 2 -1.600 4.452 0.850 14 HG3 GLN 2 HG3 GLN 2 -1.400 5.920 -0.105 15 HE21 GLN 2 HE21 GLN 2 -4.146 5.233 1.951 16 HE22 GLN 2 HE22 GLN 2 -3.849 6.487 3.098 17 H SER 3 H SER 3 -2.376 8.168 -0.796 18 HA SER 3 HA SER 3 -2.038 8.425 -3.657 19 HB2 SER 3 HB2 SER 3 -1.065 10.156 -1.389 20 HB3 SER 3 HB3 SER 3 -1.082 10.568 -3.106 21 HG SER 3 HG SER 3 -3.495 9.955 -2.778 22 H HIS 4 H HIS 4 0.238 9.153 -4.286 23 HA HIS 4 HA HIS 4 1.988 6.994 -4.217 24 HB2 HIS 4 HB2 HIS 4 1.846 8.829 -5.920 25 HB3 HIS 4 HB3 HIS 4 2.654 9.895 -4.791 26 HD1 HIS 4 HD1 HIS 4 4.652 10.257 -6.381 27 HD2 HIS 4 HD2 HIS 4 4.020 6.274 -5.417 28 HE1 HIS 4 HE1 HIS 4 6.654 9.038 -7.230 29 HE2 HIS 4 HE2 HIS 4 6.037 6.641 -6.983 30 H TYR 5 H TYR 5 3.573 6.374 -2.870 31 HA TYR 5 HA TYR 5 4.990 6.198 -1.170 32 HB2 TYR 5 HB2 TYR 5 4.866 9.219 -0.976 33 HB3 TYR 5 HB3 TYR 5 5.897 8.216 0.029 34 HD1 TYR 5 HD1 TYR 5 7.405 6.509 -1.393 35 HD2 TYR 5 HD2 TYR 5 5.832 10.187 -2.825 36 HE1 TYR 5 HE1 TYR 5 9.180 6.596 -3.085 37 HE2 TYR 5 HE2 TYR 5 7.600 10.279 -4.531 38 HH TYR 5 HH TYR 5 9.871 9.373 -4.828 39 H GLY 6 H GLY 6 1.936 6.619 -0.874 40 HA2 GLY 6 HA2 GLY 6 1.903 6.916 2.020 41 HA3 GLY 6 HA3 GLY 6 0.500 6.878 0.955 42 H GLN 7 H GLN 7 0.717 5.376 3.260 43 HA GLN 7 HA GLN 7 1.463 2.679 2.577 44 HB2 GLN 7 HB2 GLN 7 1.629 3.641 4.928 45 HB3 GLN 7 HB3 GLN 7 -0.133 3.622 4.940 46 HG2 GLN 7 HG2 GLN 7 -0.143 1.213 4.685 47 HG3 GLN 7 HG3 GLN 7 1.620 1.196 4.630 48 HE21 GLN 7 HE21 GLN 7 -0.092 -0.163 6.502 49 HE22 GLN 7 HE22 GLN 7 0.292 0.428 8.057 50 H CYS 8 H CYS 8 0.225 1.847 1.076 51 HA CYS 8 HA CYS 8 -2.524 2.479 0.745 52 HB2 CYS 8 HB2 CYS 8 -2.369 0.595 -0.962 53 HB3 CYS 8 HB3 CYS 8 -1.370 2.023 -1.215 54 H GLY 9 H GLY 9 -0.977 -0.631 1.523 55 HA2 GLY 9 HA2 GLY 9 -2.997 -1.225 3.412 56 HA3 GLY 9 HA3 GLY 9 -3.340 -2.012 1.877 57 H GLY 10 H GLY 10 -1.258 -1.817 4.591 58 HA2 GLY 10 HA2 GLY 10 0.040 -4.309 3.787 59 HA3 GLY 10 HA3 GLY 10 0.576 -3.254 5.093 60 H ILE 11 H ILE 11 0.416 -5.678 5.970 61 HA ILE 11 HA ILE 11 -2.112 -6.639 6.734 62 HB ILE 11 HB ILE 11 0.617 -7.083 7.999 63 HG12 ILE 11 HG12 ILE 11 -0.965 -8.803 6.062 64 HG13 ILE 11 HG13 ILE 11 0.443 -7.836 5.656 65 HG21 ILE 11 HG21 ILE 11 -0.359 -9.076 9.064 66 HG22 ILE 11 HG22 ILE 11 -1.949 -8.606 8.455 67 HG23 ILE 11 HG23 ILE 11 -1.116 -7.583 9.621 68 HD11 ILE 11 HD11 ILE 11 1.822 -9.225 7.122 69 HD12 ILE 11 HD12 ILE 11 1.015 -10.186 5.882 70 HD13 ILE 11 HD13 ILE 11 0.404 -10.187 7.536 71 H GLY 12 H GLY 12 -3.488 -5.644 8.031 72 HA2 GLY 12 HA2 GLY 12 -4.126 -4.979 10.213 73 HA3 GLY 12 HA3 GLY 12 -2.477 -4.463 10.512 74 H TYR 13 H TYR 13 -3.569 -3.509 7.478 75 HA TYR 13 HA TYR 13 -4.196 -0.842 8.538 76 HB2 TYR 13 HB2 TYR 13 -2.184 -1.022 7.039 77 HB3 TYR 13 HB3 TYR 13 -3.244 -1.573 5.754 78 HD1 TYR 13 HD1 TYR 13 -2.338 1.299 7.879 79 HD2 TYR 13 HD2 TYR 13 -4.549 0.005 4.492 80 HE1 TYR 13 HE1 TYR 13 -2.669 3.641 7.212 81 HE2 TYR 13 HE2 TYR 13 -4.889 2.342 3.815 82 HH TYR 13 HH TYR 13 -3.088 4.825 5.069 83 H SER 14 H SER 14 -6.310 -0.547 8.619 84 HA SER 14 HA SER 14 -8.057 -1.890 6.701 85 HB2 SER 14 HB2 SER 14 -9.787 -1.277 8.466 86 HB3 SER 14 HB3 SER 14 -8.561 -2.440 8.964 87 HG SER 14 HG SER 14 -8.748 -0.928 10.566 88 H GLY 15 H GLY 15 -6.575 0.491 6.007 89 HA2 GLY 15 HA2 GLY 15 -8.639 2.568 6.020 90 HA3 GLY 15 HA3 GLY 15 -6.923 2.843 5.756 91 HA PRO 16 HA PRO 16 -8.791 2.781 1.596 92 HB2 PRO 16 HB2 PRO 16 -7.375 4.884 0.613 93 HB3 PRO 16 HB3 PRO 16 -8.875 5.081 1.523 94 HG2 PRO 16 HG2 PRO 16 -6.064 5.461 2.402 95 HG3 PRO 16 HG3 PRO 16 -7.524 6.347 2.870 96 HD2 PRO 16 HD2 PRO 16 -6.294 4.378 4.372 97 HD3 PRO 16 HD3 PRO 16 -7.977 4.901 4.566 98 H THR 17 H THR 17 -7.905 0.976 0.789 99 HA THR 17 HA THR 17 -5.072 0.592 0.729 100 HB THR 17 HB THR 17 -5.808 -1.694 -0.106 101 HG1 THR 17 HG1 THR 17 -8.023 -2.126 0.217 102 HG21 THR 17 HG21 THR 17 -6.905 -0.712 2.540 103 HG22 THR 17 HG22 THR 17 -5.239 -1.209 2.257 104 HG23 THR 17 HG23 THR 17 -6.543 -2.390 2.139 105 H VAL 18 H VAL 18 -7.393 1.741 -1.482 106 HA VAL 18 HA VAL 18 -6.059 0.654 -3.816 107 HB VAL 18 HB VAL 18 -8.340 2.653 -3.672 108 HG11 VAL 18 HG11 VAL 18 -8.755 2.047 -6.008 109 HG12 VAL 18 HG12 VAL 18 -7.327 1.012 -5.992 110 HG13 VAL 18 HG13 VAL 18 -7.152 2.755 -5.799 111 HG21 VAL 18 HG21 VAL 18 -9.791 0.743 -4.211 112 HG22 VAL 18 HG22 VAL 18 -8.974 0.530 -2.662 113 HG23 VAL 18 HG23 VAL 18 -8.404 -0.337 -4.086 114 H CYS 19 H CYS 19 -4.450 1.621 -4.836 115 HA CYS 19 HA CYS 19 -3.489 4.164 -3.933 116 HB2 CYS 19 HB2 CYS 19 -2.456 2.238 -6.018 117 HB3 CYS 19 HB3 CYS 19 -1.650 3.738 -5.566 118 H ALA 20 H ALA 20 -2.547 5.623 -5.793 119 HA ALA 20 HA ALA 20 -4.856 6.535 -7.258 120 HB1 ALA 20 HB1 ALA 20 -3.523 8.127 -5.948 121 HB2 ALA 20 HB2 ALA 20 -3.550 8.538 -7.658 122 HB3 ALA 20 HB3 ALA 20 -2.122 7.770 -6.961 123 H SER 21 H SER 21 -4.153 7.595 -9.471 124 HA SER 21 HA SER 21 -3.833 5.501 -11.283 125 HB2 SER 21 HB2 SER 21 -3.429 8.453 -11.737 126 HB3 SER 21 HB3 SER 21 -3.797 7.241 -12.964 127 HG SER 21 HG SER 21 -5.639 6.902 -11.202 128 H GLY 22 H GLY 22 -2.054 4.443 -11.890 129 HA2 GLY 22 HA2 GLY 22 0.052 4.243 -12.839 130 HA3 GLY 22 HA3 GLY 22 0.389 5.912 -12.408 131 H THR 23 H THR 23 -0.840 4.344 -9.738 132 HA THR 23 HA THR 23 1.863 3.640 -8.879 133 HB THR 23 HB THR 23 1.273 4.333 -6.557 134 HG1 THR 23 HG1 THR 23 -1.182 4.840 -7.779 135 HG21 THR 23 HG21 THR 23 2.468 5.909 -7.990 136 HG22 THR 23 HG22 THR 23 1.363 6.762 -6.912 137 HG23 THR 23 HG23 THR 23 0.935 6.526 -8.608 138 H THR 24 H THR 24 2.159 1.751 -7.847 139 HA THR 24 HA THR 24 -0.204 0.047 -7.596 140 HB THR 24 HB THR 24 1.503 -1.844 -7.763 141 HG1 THR 24 HG1 THR 24 3.203 0.325 -7.949 142 HG21 THR 24 HG21 THR 24 0.057 -1.251 -9.647 143 HG22 THR 24 HG22 THR 24 1.658 -1.719 -10.216 144 HG23 THR 24 HG23 THR 24 1.209 -0.013 -10.149 145 H CYS 25 H CYS 25 -0.427 -1.176 -5.725 146 HA CYS 25 HA CYS 25 0.856 -0.028 -3.426 147 HB2 CYS 25 HB2 CYS 25 -1.546 -0.547 -3.342 148 HB3 CYS 25 HB3 CYS 25 -1.206 -2.242 -3.652 149 H GLN 26 H GLN 26 2.947 -0.658 -3.338 150 HA GLN 26 HA GLN 26 3.562 -3.475 -3.722 151 HB2 GLN 26 HB2 GLN 26 5.423 -1.116 -3.423 152 HB3 GLN 26 HB3 GLN 26 5.907 -2.763 -3.792 153 HG2 GLN 26 HG2 GLN 26 4.614 -2.646 -5.886 154 HG3 GLN 26 HG3 GLN 26 4.214 -0.970 -5.518 155 HE21 GLN 26 HE21 GLN 26 5.228 -0.159 -7.312 156 HE22 GLN 26 HE22 GLN 26 6.944 -0.140 -7.478 157 H VAL 27 H VAL 27 4.141 -4.752 -2.121 158 HA VAL 27 HA VAL 27 3.832 -3.750 0.568 159 HB VAL 27 HB VAL 27 4.409 -6.572 -0.391 160 HG11 VAL 27 HG11 VAL 27 4.973 -6.200 1.959 161 HG12 VAL 27 HG12 VAL 27 3.598 -7.285 1.788 162 HG13 VAL 27 HG13 VAL 27 3.340 -5.603 2.257 163 HG21 VAL 27 HG21 VAL 27 1.763 -5.287 0.283 164 HG22 VAL 27 HG22 VAL 27 2.007 -6.995 -0.086 165 HG23 VAL 27 HG23 VAL 27 2.306 -5.772 -1.323 166 H LEU 28 H LEU 28 5.598 -2.674 1.241 167 HA LEU 28 HA LEU 28 8.284 -3.502 0.502 168 HB2 LEU 28 HB2 LEU 28 7.450 -1.392 2.494 169 HB3 LEU 28 HB3 LEU 28 9.042 -1.600 1.811 170 HG LEU 28 HG LEU 28 6.576 -0.625 0.382 171 HD11 LEU 28 HD11 LEU 28 7.653 0.974 1.873 172 HD12 LEU 28 HD12 LEU 28 7.816 1.442 0.182 173 HD13 LEU 28 HD13 LEU 28 9.182 0.716 1.038 174 HD21 LEU 28 HD21 LEU 28 8.035 -0.277 -1.543 175 HD22 LEU 28 HD22 LEU 28 7.891 -1.992 -1.144 176 HD23 LEU 28 HD23 LEU 28 9.351 -1.098 -0.699 177 H ASN 29 H ASN 29 6.250 -3.344 3.319 178 HA ASN 29 HA ASN 29 7.944 -5.271 4.732 179 HB2 ASN 29 HB2 ASN 29 6.491 -2.880 5.950 180 HB3 ASN 29 HB3 ASN 29 7.381 -4.106 6.834 181 HD21 ASN 29 HD21 ASN 29 7.606 -1.282 4.872 182 HD22 ASN 29 HD22 ASN 29 9.274 -0.973 5.118 183 HA PRO 30 HA PRO 30 4.109 -7.429 5.017 184 HB2 PRO 30 HB2 PRO 30 4.271 -7.545 7.979 185 HB3 PRO 30 HB3 PRO 30 4.157 -8.867 6.810 186 HG2 PRO 30 HG2 PRO 30 6.449 -8.352 8.068 187 HG3 PRO 30 HG3 PRO 30 6.432 -8.849 6.364 188 HD2 PRO 30 HD2 PRO 30 6.808 -6.136 7.553 189 HD3 PRO 30 HD3 PRO 30 7.631 -6.867 6.164 190 H TYR 31 H TYR 31 4.504 -4.869 7.392 191 HA TYR 31 HA TYR 31 1.589 -4.540 7.495 192 HB2 TYR 31 HB2 TYR 31 3.678 -3.138 9.167 193 HB3 TYR 31 HB3 TYR 31 1.948 -3.233 9.478 194 HD1 TYR 31 HD1 TYR 31 0.959 -5.362 10.282 195 HD2 TYR 31 HD2 TYR 31 5.147 -4.927 9.737 196 HE1 TYR 31 HE1 TYR 31 1.340 -7.393 11.611 197 HE2 TYR 31 HE2 TYR 31 5.536 -6.948 11.060 198 HH TYR 31 HH TYR 31 3.007 -9.069 11.905 199 H TYR 32 H TYR 32 4.513 -3.028 6.346 200 HA TYR 32 HA TYR 32 2.968 -0.656 5.645 201 HB2 TYR 32 HB2 TYR 32 5.150 -0.252 6.892 202 HB3 TYR 32 HB3 TYR 32 5.967 -0.942 5.509 203 HD1 TYR 32 HD1 TYR 32 3.785 1.855 6.518 204 HD2 TYR 32 HD2 TYR 32 6.449 0.323 3.591 205 HE1 TYR 32 HE1 TYR 32 3.765 4.026 5.375 206 HE2 TYR 32 HE2 TYR 32 6.444 2.493 2.443 207 HH TYR 32 HH TYR 32 5.146 5.285 3.875 208 H SER 33 H SER 33 2.113 -0.729 3.743 209 HA SER 33 HA SER 33 3.685 -1.748 1.498 210 HB2 SER 33 HB2 SER 33 0.681 -1.555 1.846 211 HB3 SER 33 HB3 SER 33 1.479 -2.179 0.412 212 HG SER 33 HG SER 33 0.731 -3.766 1.995 213 H GLN 34 H GLN 34 3.699 -0.315 -0.345 214 HA GLN 34 HA GLN 34 2.772 2.385 0.330 215 HB2 GLN 34 HB2 GLN 34 5.116 2.146 0.943 216 HB3 GLN 34 HB3 GLN 34 5.502 1.617 -0.681 217 HG2 GLN 34 HG2 GLN 34 4.950 3.788 -1.562 218 HG3 GLN 34 HG3 GLN 34 4.410 4.328 0.027 219 HE21 GLN 34 HE21 GLN 34 5.949 4.747 1.621 220 HE22 GLN 34 HE22 GLN 34 7.612 4.976 1.230 221 H CYS 35 H CYS 35 1.941 3.513 -1.297 222 HA CYS 35 HA CYS 35 1.493 2.276 -3.842 223 HB2 CYS 35 HB2 CYS 35 0.945 5.098 -2.918 224 HB3 CYS 35 HB3 CYS 35 0.418 4.428 -4.455 225 H LEU 36 H LEU 36 3.052 2.057 -5.203 226 HA LEU 36 HA LEU 36 4.798 4.317 -5.851 227 HB2 LEU 36 HB2 LEU 36 5.501 1.395 -5.679 228 HB3 LEU 36 HB3 LEU 36 6.558 2.652 -6.288 229 HG LEU 36 HG LEU 36 5.528 2.545 -3.460 230 HD11 LEU 36 HD11 LEU 36 7.725 1.746 -2.869 231 HD12 LEU 36 HD12 LEU 36 8.217 1.765 -4.561 232 HD13 LEU 36 HD13 LEU 36 6.979 0.629 -4.012 233 HD21 LEU 36 HD21 LEU 36 7.694 4.182 -4.774 234 HD22 LEU 36 HD22 LEU 36 7.280 4.191 -3.060 235 HD23 LEU 36 HD23 LEU 36 6.123 4.786 -4.243 236 H1 MAN 101 H1 MAN 101 -6.137 8.052 -4.958 237 H2 MAN 101 H2 MAN 101 -7.206 10.483 -3.536 238 H3 MAN 101 H3 MAN 101 -7.648 11.339 -5.619 239 H4 MAN 101 H4 MAN 101 -5.529 9.423 -6.668 240 H5 MAN 101 H5 MAN 101 -8.498 9.429 -7.364 241 H61 MAN 101 H61 MAN 101 -8.218 7.132 -7.727 242 H62 MAN 101 H62 MAN 101 -6.645 7.043 -6.925 243 HO2 MAN 101 HO2 MAN 101 -5.037 10.989 -3.786 244 HO3 MAN 101 HO3 MAN 101 -5.735 12.293 -6.413 245 HO4 MAN 101 HO4 MAN 101 -6.291 10.170 -8.668 246 HO6 MAN 101 HO6 MAN 101 -7.013 7.257 -9.451 Start of MODEL 6 1 H1 THR 1 H1 THR 1 -8.099 8.833 -2.164 2 H2 THR 1 H2 THR 1 -8.843 7.726 -1.135 3 H3 THR 1 H3 THR 1 -9.312 7.829 -2.752 4 HA THR 1 HA THR 1 -7.880 5.902 -2.405 5 HB THR 1 HB THR 1 -6.034 6.561 -3.977 6 HG21 THR 1 HG21 THR 1 -7.562 6.919 -5.905 7 HG22 THR 1 HG22 THR 1 -8.833 7.422 -4.804 8 HG23 THR 1 HG23 THR 1 -8.261 5.757 -4.779 9 H GLN 2 H GLN 2 -5.357 5.552 -2.406 10 HA GLN 2 HA GLN 2 -4.202 7.020 -0.163 11 HB2 GLN 2 HB2 GLN 2 -4.246 4.440 -0.251 12 HB3 GLN 2 HB3 GLN 2 -3.122 4.584 -1.590 13 HG2 GLN 2 HG2 GLN 2 -1.783 4.214 0.304 14 HG3 GLN 2 HG3 GLN 2 -1.637 5.921 -0.084 15 HE21 GLN 2 HE21 GLN 2 -4.397 4.439 1.539 16 HE22 GLN 2 HE22 GLN 2 -4.127 5.164 3.066 17 H SER 3 H SER 3 -2.357 8.275 -0.604 18 HA SER 3 HA SER 3 -1.945 8.913 -3.367 19 HB2 SER 3 HB2 SER 3 -0.767 10.069 -0.839 20 HB3 SER 3 HB3 SER 3 -0.549 10.740 -2.458 21 HG SER 3 HG SER 3 -2.239 11.800 -1.947 22 H HIS 4 H HIS 4 0.291 9.287 -4.105 23 HA HIS 4 HA HIS 4 1.888 6.990 -4.146 24 HB2 HIS 4 HB2 HIS 4 1.787 8.799 -5.880 25 HB3 HIS 4 HB3 HIS 4 2.636 9.859 -4.770 26 HD1 HIS 4 HD1 HIS 4 4.886 10.164 -5.747 27 HD2 HIS 4 HD2 HIS 4 3.641 6.210 -5.946 28 HE1 HIS 4 HE1 HIS 4 6.757 8.914 -6.845 29 HE2 HIS 4 HE2 HIS 4 5.827 6.646 -7.244 30 H TYR 5 H TYR 5 3.365 6.272 -2.737 31 HA TYR 5 HA TYR 5 4.777 6.055 -1.044 32 HB2 TYR 5 HB2 TYR 5 4.898 9.065 -0.996 33 HB3 TYR 5 HB3 TYR 5 5.745 8.065 0.182 34 HD1 TYR 5 HD1 TYR 5 5.763 9.442 -3.142 35 HD2 TYR 5 HD2 TYR 5 7.573 6.566 -0.613 36 HE1 TYR 5 HE1 TYR 5 7.682 9.317 -4.664 37 HE2 TYR 5 HE2 TYR 5 9.499 6.424 -2.123 38 HH TYR 5 HH TYR 5 10.050 8.699 -4.541 39 H GLY 6 H GLY 6 1.759 6.612 -0.761 40 HA2 GLY 6 HA2 GLY 6 1.734 6.932 2.140 41 HA3 GLY 6 HA3 GLY 6 0.324 6.849 1.084 42 H GLN 7 H GLN 7 0.812 5.301 3.498 43 HA GLN 7 HA GLN 7 1.510 2.633 2.755 44 HB2 GLN 7 HB2 GLN 7 1.730 3.502 5.093 45 HB3 GLN 7 HB3 GLN 7 -0.022 3.636 5.148 46 HG2 GLN 7 HG2 GLN 7 -0.272 1.251 5.039 47 HG3 GLN 7 HG3 GLN 7 1.468 1.042 4.820 48 HE21 GLN 7 HE21 GLN 7 -0.317 0.035 6.960 49 HE22 GLN 7 HE22 GLN 7 0.347 0.664 8.417 50 H CYS 8 H CYS 8 0.297 1.768 1.222 51 HA CYS 8 HA CYS 8 -2.421 2.350 0.734 52 HB2 CYS 8 HB2 CYS 8 -2.219 0.363 -0.835 53 HB3 CYS 8 HB3 CYS 8 -1.161 1.742 -1.123 54 H GLY 9 H GLY 9 -0.956 -0.670 1.822 55 HA2 GLY 9 HA2 GLY 9 -3.025 -1.213 3.638 56 HA3 GLY 9 HA3 GLY 9 -3.380 -1.994 2.107 57 H GLY 10 H GLY 10 -1.039 -1.710 4.639 58 HA2 GLY 10 HA2 GLY 10 0.052 -4.315 3.887 59 HA3 GLY 10 HA3 GLY 10 0.726 -3.231 5.112 60 H ILE 11 H ILE 11 0.445 -5.697 6.040 61 HA ILE 11 HA ILE 11 -2.065 -6.472 6.977 62 HB ILE 11 HB ILE 11 0.644 -6.923 8.294 63 HG12 ILE 11 HG12 ILE 11 -0.909 -8.687 6.380 64 HG13 ILE 11 HG13 ILE 11 0.502 -7.726 5.951 65 HG21 ILE 11 HG21 ILE 11 -0.408 -8.859 9.385 66 HG22 ILE 11 HG22 ILE 11 -1.959 -8.418 8.674 67 HG23 ILE 11 HG23 ILE 11 -1.194 -7.347 9.847 68 HD11 ILE 11 HD11 ILE 11 0.447 -10.013 7.908 69 HD12 ILE 11 HD12 ILE 11 1.868 -9.061 7.478 70 HD13 ILE 11 HD13 ILE 11 1.080 -10.066 6.263 71 H GLY 12 H GLY 12 -3.389 -5.237 8.132 72 HA2 GLY 12 HA2 GLY 12 -3.858 -4.458 10.393 73 HA3 GLY 12 HA3 GLY 12 -2.255 -3.740 10.399 74 H TYR 13 H TYR 13 -3.060 -3.002 7.422 75 HA TYR 13 HA TYR 13 -4.419 -0.525 8.249 76 HB2 TYR 13 HB2 TYR 13 -2.129 -0.347 7.176 77 HB3 TYR 13 HB3 TYR 13 -2.830 -1.012 5.708 78 HD1 TYR 13 HD1 TYR 13 -2.389 1.946 7.757 79 HD2 TYR 13 HD2 TYR 13 -4.534 0.363 4.446 80 HE1 TYR 13 HE1 TYR 13 -2.969 4.227 7.053 81 HE2 TYR 13 HE2 TYR 13 -5.128 2.644 3.733 82 HH TYR 13 HH TYR 13 -3.644 5.429 5.125 83 H SER 14 H SER 14 -6.522 -0.537 7.803 84 HA SER 14 HA SER 14 -7.466 -2.150 5.544 85 HB2 SER 14 HB2 SER 14 -9.549 -2.371 6.991 86 HB3 SER 14 HB3 SER 14 -8.109 -3.229 7.546 87 HG SER 14 HG SER 14 -8.271 -2.144 9.310 88 H GLY 15 H GLY 15 -6.745 0.770 5.827 89 HA2 GLY 15 HA2 GLY 15 -9.320 2.090 5.503 90 HA3 GLY 15 HA3 GLY 15 -7.744 2.865 5.547 91 HA PRO 16 HA PRO 16 -8.844 3.087 1.188 92 HB2 PRO 16 HB2 PRO 16 -7.131 5.142 0.595 93 HB3 PRO 16 HB3 PRO 16 -8.760 5.367 1.239 94 HG2 PRO 16 HG2 PRO 16 -6.140 5.479 2.644 95 HG3 PRO 16 HG3 PRO 16 -7.606 6.437 2.911 96 HD2 PRO 16 HD2 PRO 16 -6.830 4.333 4.484 97 HD3 PRO 16 HD3 PRO 16 -8.504 4.879 4.314 98 H THR 17 H THR 17 -7.938 1.124 0.644 99 HA THR 17 HA THR 17 -5.083 0.840 0.479 100 HB THR 17 HB THR 17 -5.671 -1.501 -0.300 101 HG1 THR 17 HG1 THR 17 -7.946 -1.992 0.332 102 HG21 THR 17 HG21 THR 17 -6.906 -0.620 2.316 103 HG22 THR 17 HG22 THR 17 -5.201 -0.969 2.069 104 HG23 THR 17 HG23 THR 17 -6.392 -2.261 1.913 105 H VAL 18 H VAL 18 -7.595 1.821 -1.543 106 HA VAL 18 HA VAL 18 -6.435 1.008 -4.037 107 HB VAL 18 HB VAL 18 -8.577 3.099 -3.500 108 HG11 VAL 18 HG11 VAL 18 -7.745 1.827 -6.113 109 HG12 VAL 18 HG12 VAL 18 -7.470 3.507 -5.649 110 HG13 VAL 18 HG13 VAL 18 -9.115 2.915 -5.894 111 HG21 VAL 18 HG21 VAL 18 -8.813 0.251 -4.463 112 HG22 VAL 18 HG22 VAL 18 -10.148 1.383 -4.249 113 HG23 VAL 18 HG23 VAL 18 -9.225 0.824 -2.852 114 H CYS 19 H CYS 19 -4.634 1.778 -4.736 115 HA CYS 19 HA CYS 19 -3.539 4.279 -3.879 116 HB2 CYS 19 HB2 CYS 19 -2.591 2.280 -5.933 117 HB3 CYS 19 HB3 CYS 19 -1.683 3.691 -5.411 118 H ALA 20 H ALA 20 -2.693 5.847 -5.447 119 HA ALA 20 HA ALA 20 -4.675 6.882 -7.149 120 HB1 ALA 20 HB1 ALA 20 -2.931 8.248 -6.048 121 HB2 ALA 20 HB2 ALA 20 -2.966 8.494 -7.796 122 HB3 ALA 20 HB3 ALA 20 -1.717 7.484 -7.073 123 H SER 21 H SER 21 -4.746 6.974 -9.409 124 HA SER 21 HA SER 21 -4.050 4.639 -10.751 125 HB2 SER 21 HB2 SER 21 -4.720 7.374 -11.862 126 HB3 SER 21 HB3 SER 21 -4.808 5.852 -12.754 127 HG SER 21 HG SER 21 -6.151 5.440 -10.571 128 H GLY 22 H GLY 22 -2.162 3.983 -11.531 129 HA2 GLY 22 HA2 GLY 22 -0.195 4.397 -12.845 130 HA3 GLY 22 HA3 GLY 22 -0.089 5.986 -12.091 131 H THR 23 H THR 23 -0.928 4.402 -9.521 132 HA THR 23 HA THR 23 1.805 3.489 -8.941 133 HB THR 23 HB THR 23 1.469 4.187 -6.593 134 HG1 THR 23 HG1 THR 23 -1.099 4.811 -7.563 135 HG21 THR 23 HG21 THR 23 2.495 5.772 -8.130 136 HG22 THR 23 HG22 THR 23 1.505 6.612 -6.930 137 HG23 THR 23 HG23 THR 23 0.900 6.381 -8.570 138 H THR 24 H THR 24 2.024 1.646 -7.625 139 HA THR 24 HA THR 24 -0.453 0.105 -7.336 140 HB THR 24 HB THR 24 1.092 -1.903 -7.473 141 HG1 THR 24 HG1 THR 24 2.962 0.119 -7.850 142 HG21 THR 24 HG21 THR 24 0.809 -0.162 -9.928 143 HG22 THR 24 HG22 THR 24 -0.403 -1.283 -9.306 144 HG23 THR 24 HG23 THR 24 1.124 -1.897 -9.933 145 H CYS 25 H CYS 25 -0.571 -1.265 -5.463 146 HA CYS 25 HA CYS 25 0.773 -0.122 -3.204 147 HB2 CYS 25 HB2 CYS 25 -1.589 -0.871 -3.042 148 HB3 CYS 25 HB3 CYS 25 -1.089 -2.515 -3.413 149 H GLN 26 H GLN 26 2.897 -0.588 -3.130 150 HA GLN 26 HA GLN 26 3.709 -3.288 -3.799 151 HB2 GLN 26 HB2 GLN 26 5.403 -0.819 -3.390 152 HB3 GLN 26 HB3 GLN 26 6.016 -2.403 -3.833 153 HG2 GLN 26 HG2 GLN 26 4.592 -2.284 -5.892 154 HG3 GLN 26 HG3 GLN 26 4.239 -0.612 -5.470 155 HE21 GLN 26 HE21 GLN 26 5.224 0.228 -7.297 156 HE22 GLN 26 HE22 GLN 26 6.928 0.216 -7.512 157 H VAL 27 H VAL 27 4.554 -4.622 -2.431 158 HA VAL 27 HA VAL 27 4.170 -4.055 0.370 159 HB VAL 27 HB VAL 27 5.128 -6.612 -0.952 160 HG11 VAL 27 HG11 VAL 27 4.026 -6.139 1.813 161 HG12 VAL 27 HG12 VAL 27 5.701 -6.506 1.408 162 HG13 VAL 27 HG13 VAL 27 4.442 -7.709 1.126 163 HG21 VAL 27 HG21 VAL 27 2.340 -5.829 -0.099 164 HG22 VAL 27 HG22 VAL 27 2.826 -7.414 -0.703 165 HG23 VAL 27 HG23 VAL 27 2.910 -6.005 -1.759 166 H LEU 28 H LEU 28 5.767 -2.761 1.076 167 HA LEU 28 HA LEU 28 8.537 -3.256 0.435 168 HB2 LEU 28 HB2 LEU 28 7.276 -1.403 2.461 169 HB3 LEU 28 HB3 LEU 28 8.976 -1.428 2.055 170 HG LEU 28 HG LEU 28 6.746 -0.688 0.148 171 HD11 LEU 28 HD11 LEU 28 7.659 1.576 0.350 172 HD12 LEU 28 HD12 LEU 28 8.762 1.008 1.609 173 HD13 LEU 28 HD13 LEU 28 7.013 0.959 1.867 174 HD21 LEU 28 HD21 LEU 28 8.679 -1.663 -0.991 175 HD22 LEU 28 HD22 LEU 28 9.732 -0.525 -0.131 176 HD23 LEU 28 HD23 LEU 28 8.550 0.075 -1.291 177 H ASN 29 H ASN 29 6.450 -3.479 3.251 178 HA ASN 29 HA ASN 29 8.212 -5.486 4.442 179 HB2 ASN 29 HB2 ASN 29 6.815 -3.219 5.931 180 HB3 ASN 29 HB3 ASN 29 7.795 -4.480 6.648 181 HD21 ASN 29 HD21 ASN 29 7.801 -1.464 4.967 182 HD22 ASN 29 HD22 ASN 29 9.480 -1.142 5.133 183 HA PRO 30 HA PRO 30 4.365 -7.672 4.948 184 HB2 PRO 30 HB2 PRO 30 4.655 -7.803 7.900 185 HB3 PRO 30 HB3 PRO 30 4.472 -9.116 6.734 186 HG2 PRO 30 HG2 PRO 30 6.831 -8.660 7.863 187 HG3 PRO 30 HG3 PRO 30 6.722 -9.092 6.146 188 HD2 PRO 30 HD2 PRO 30 7.155 -6.408 7.401 189 HD3 PRO 30 HD3 PRO 30 7.933 -7.121 5.969 190 H TYR 31 H TYR 31 4.720 -5.279 7.612 191 HA TYR 31 HA TYR 31 1.820 -4.948 7.562 192 HB2 TYR 31 HB2 TYR 31 3.859 -3.727 9.454 193 HB3 TYR 31 HB3 TYR 31 2.120 -3.565 9.580 194 HD1 TYR 31 HD1 TYR 31 4.935 -5.950 9.846 195 HD2 TYR 31 HD2 TYR 31 0.818 -5.249 10.628 196 HE1 TYR 31 HE1 TYR 31 4.870 -7.937 11.293 197 HE2 TYR 31 HE2 TYR 31 0.743 -7.225 12.067 198 HH TYR 31 HH TYR 31 3.521 -8.776 13.166 199 H TYR 32 H TYR 32 4.723 -3.364 6.587 200 HA TYR 32 HA TYR 32 3.204 -0.942 5.943 201 HB2 TYR 32 HB2 TYR 32 5.433 -0.760 7.185 202 HB3 TYR 32 HB3 TYR 32 6.173 -1.334 5.713 203 HD1 TYR 32 HD1 TYR 32 4.048 1.397 7.015 204 HD2 TYR 32 HD2 TYR 32 6.784 0.146 4.015 205 HE1 TYR 32 HE1 TYR 32 4.180 3.698 6.186 206 HE2 TYR 32 HE2 TYR 32 6.918 2.449 3.167 207 HH TYR 32 HH TYR 32 5.678 4.508 3.218 208 H SER 33 H SER 33 2.339 -0.952 3.988 209 HA SER 33 HA SER 33 3.999 -1.807 1.753 210 HB2 SER 33 HB2 SER 33 0.990 -2.166 2.048 211 HB3 SER 33 HB3 SER 33 1.953 -2.655 0.648 212 HG SER 33 HG SER 33 3.132 -3.716 2.731 213 H GLN 34 H GLN 34 3.663 -0.403 -0.156 214 HA GLN 34 HA GLN 34 2.429 2.146 0.597 215 HB2 GLN 34 HB2 GLN 34 4.708 2.200 1.410 216 HB3 GLN 34 HB3 GLN 34 5.307 1.747 -0.170 217 HG2 GLN 34 HG2 GLN 34 4.650 3.838 -1.087 218 HG3 GLN 34 HG3 GLN 34 3.828 4.287 0.409 219 HE21 GLN 34 HE21 GLN 34 6.879 3.906 -1.149 220 HE22 GLN 34 HE22 GLN 34 7.816 4.676 0.079 221 H CYS 35 H CYS 35 1.738 3.397 -1.095 222 HA CYS 35 HA CYS 35 1.406 2.135 -3.640 223 HB2 CYS 35 HB2 CYS 35 0.764 4.961 -2.787 224 HB3 CYS 35 HB3 CYS 35 0.276 4.230 -4.311 225 H LEU 36 H LEU 36 2.962 1.960 -4.997 226 HA LEU 36 HA LEU 36 4.593 4.263 -5.696 227 HB2 LEU 36 HB2 LEU 36 5.552 1.428 -5.271 228 HB3 LEU 36 HB3 LEU 36 6.509 2.715 -5.973 229 HG LEU 36 HG LEU 36 5.444 2.759 -3.148 230 HD11 LEU 36 HD11 LEU 36 8.184 2.037 -4.172 231 HD12 LEU 36 HD12 LEU 36 7.027 0.930 -3.432 232 HD13 LEU 36 HD13 LEU 36 7.732 2.231 -2.479 233 HD21 LEU 36 HD21 LEU 36 5.883 4.970 -4.090 234 HD22 LEU 36 HD22 LEU 36 7.493 4.450 -4.580 235 HD23 LEU 36 HD23 LEU 36 7.090 4.566 -2.869 236 H1 MAN 101 H1 MAN 101 -4.647 8.226 -4.556 237 H2 MAN 101 H2 MAN 101 -4.931 10.549 -3.571 238 H3 MAN 101 H3 MAN 101 -7.045 11.132 -4.589 239 H4 MAN 101 H4 MAN 101 -5.460 11.064 -7.189 240 H5 MAN 101 H5 MAN 101 -7.808 9.351 -6.243 241 H61 MAN 101 H61 MAN 101 -7.646 9.729 -8.720 242 H62 MAN 101 H62 MAN 101 -7.458 8.031 -8.246 243 HO2 MAN 101 HO2 MAN 101 -3.732 11.527 -5.246 244 HO3 MAN 101 HO3 MAN 101 -6.362 13.129 -5.454 245 HO4 MAN 101 HO4 MAN 101 -7.540 11.619 -8.065 246 HO6 MAN 101 HO6 MAN 101 -5.050 9.033 -8.109 Start of MODEL 7 1 H1 THR 1 H1 THR 1 -9.592 6.642 -3.465 2 H2 THR 1 H2 THR 1 -8.663 7.980 -3.027 3 H3 THR 1 H3 THR 1 -9.043 6.834 -1.871 4 HA THR 1 HA THR 1 -7.694 5.232 -3.081 5 HB THR 1 HB THR 1 -6.105 6.301 -4.788 6 HG21 THR 1 HG21 THR 1 -7.658 5.780 -6.634 7 HG22 THR 1 HG22 THR 1 -9.031 6.016 -5.563 8 HG23 THR 1 HG23 THR 1 -7.936 4.660 -5.303 9 H GLN 2 H GLN 2 -5.507 5.010 -2.550 10 HA GLN 2 HA GLN 2 -4.528 6.760 -0.486 11 HB2 GLN 2 HB2 GLN 2 -4.327 4.243 -0.450 12 HB3 GLN 2 HB3 GLN 2 -3.241 4.361 -1.821 13 HG2 GLN 2 HG2 GLN 2 -1.863 4.121 0.066 14 HG3 GLN 2 HG3 GLN 2 -1.772 5.815 -0.395 15 HE21 GLN 2 HE21 GLN 2 -4.402 4.245 1.345 16 HE22 GLN 2 HE22 GLN 2 -4.193 5.105 2.809 17 H SER 3 H SER 3 -2.663 8.058 -0.722 18 HA SER 3 HA SER 3 -2.137 8.922 -3.413 19 HB2 SER 3 HB2 SER 3 -1.136 9.960 -0.756 20 HB3 SER 3 HB3 SER 3 -0.939 10.765 -2.313 21 HG SER 3 HG SER 3 -3.000 11.244 -2.378 22 H HIS 4 H HIS 4 0.174 9.489 -3.962 23 HA HIS 4 HA HIS 4 1.749 7.153 -4.062 24 HB2 HIS 4 HB2 HIS 4 1.688 9.018 -5.784 25 HB3 HIS 4 HB3 HIS 4 2.602 10.002 -4.659 26 HD1 HIS 4 HD1 HIS 4 4.611 10.209 -6.271 27 HD2 HIS 4 HD2 HIS 4 3.659 6.279 -5.336 28 HE1 HIS 4 HE1 HIS 4 6.473 8.831 -7.195 29 HE2 HIS 4 HE2 HIS 4 5.653 6.484 -6.950 30 H TYR 5 H TYR 5 3.239 6.432 -2.748 31 HA TYR 5 HA TYR 5 4.703 6.154 -1.124 32 HB2 TYR 5 HB2 TYR 5 4.647 9.153 -0.670 33 HB3 TYR 5 HB3 TYR 5 5.717 8.038 0.160 34 HD1 TYR 5 HD1 TYR 5 7.282 6.623 -1.426 35 HD2 TYR 5 HD2 TYR 5 5.349 10.237 -2.532 36 HE1 TYR 5 HE1 TYR 5 8.965 6.981 -3.187 37 HE2 TYR 5 HE2 TYR 5 7.011 10.601 -4.295 38 HH TYR 5 HH TYR 5 9.134 8.192 -5.310 39 H GLY 6 H GLY 6 1.622 6.667 -0.778 40 HA2 GLY 6 HA2 GLY 6 1.565 6.932 2.111 41 HA3 GLY 6 HA3 GLY 6 0.176 6.772 1.038 42 H GLN 7 H GLN 7 0.539 5.280 3.420 43 HA GLN 7 HA GLN 7 1.445 2.646 2.668 44 HB2 GLN 7 HB2 GLN 7 1.631 3.551 5.036 45 HB3 GLN 7 HB3 GLN 7 -0.121 3.444 5.136 46 HG2 GLN 7 HG2 GLN 7 -0.022 1.034 4.827 47 HG3 GLN 7 HG3 GLN 7 1.730 1.110 4.678 48 HE21 GLN 7 HE21 GLN 7 0.192 -0.403 6.595 49 HE22 GLN 7 HE22 GLN 7 0.646 0.130 8.144 50 H CYS 8 H CYS 8 0.234 1.590 1.259 51 HA CYS 8 HA CYS 8 -2.492 2.235 0.823 52 HB2 CYS 8 HB2 CYS 8 -2.322 0.318 -0.854 53 HB3 CYS 8 HB3 CYS 8 -1.310 1.739 -1.108 54 H GLY 9 H GLY 9 -1.014 -0.861 1.817 55 HA2 GLY 9 HA2 GLY 9 -3.111 -1.330 3.639 56 HA3 GLY 9 HA3 GLY 9 -3.471 -2.135 2.129 57 H GLY 10 H GLY 10 -1.058 -1.816 4.617 58 HA2 GLY 10 HA2 GLY 10 -0.151 -4.535 4.034 59 HA3 GLY 10 HA3 GLY 10 0.674 -3.378 5.089 60 H ILE 11 H ILE 11 0.360 -5.684 6.291 61 HA ILE 11 HA ILE 11 -2.131 -6.167 7.497 62 HB ILE 11 HB ILE 11 0.611 -6.748 8.685 63 HG12 ILE 11 HG12 ILE 11 -1.124 -8.560 6.986 64 HG13 ILE 11 HG13 ILE 11 0.278 -7.685 6.377 65 HG21 ILE 11 HG21 ILE 11 -1.217 -6.941 10.306 66 HG22 ILE 11 HG22 ILE 11 -0.554 -8.529 9.920 67 HG23 ILE 11 HG23 ILE 11 -2.086 -8.018 9.208 68 HD11 ILE 11 HD11 ILE 11 0.311 -9.785 8.534 69 HD12 ILE 11 HD12 ILE 11 1.716 -8.931 7.897 70 HD13 ILE 11 HD13 ILE 11 0.795 -10.016 6.855 71 H GLY 12 H GLY 12 -3.218 -4.882 8.815 72 HA2 GLY 12 HA2 GLY 12 -3.317 -3.841 10.990 73 HA3 GLY 12 HA3 GLY 12 -1.708 -3.204 10.687 74 H TYR 13 H TYR 13 -2.968 -2.851 7.788 75 HA TYR 13 HA TYR 13 -4.072 -0.212 8.433 76 HB2 TYR 13 HB2 TYR 13 -1.925 -0.310 7.069 77 HB3 TYR 13 HB3 TYR 13 -2.866 -1.071 5.792 78 HD1 TYR 13 HD1 TYR 13 -2.187 2.025 7.599 79 HD2 TYR 13 HD2 TYR 13 -4.500 0.241 4.511 80 HE1 TYR 13 HE1 TYR 13 -2.819 4.253 6.804 81 HE2 TYR 13 HE2 TYR 13 -5.149 2.465 3.700 82 HH TYR 13 HH TYR 13 -3.540 5.265 4.777 83 H SER 14 H SER 14 -6.153 0.112 7.973 84 HA SER 14 HA SER 14 -7.490 -1.796 6.204 85 HB2 SER 14 HB2 SER 14 -9.440 -1.292 7.891 86 HB3 SER 14 HB3 SER 14 -8.213 -2.506 8.263 87 HG SER 14 HG SER 14 -7.650 -1.382 9.864 88 H GLY 15 H GLY 15 -6.503 1.140 6.063 89 HA2 GLY 15 HA2 GLY 15 -8.976 2.580 5.544 90 HA3 GLY 15 HA3 GLY 15 -7.346 3.226 5.430 91 HA PRO 16 HA PRO 16 -8.747 2.813 1.064 92 HB2 PRO 16 HB2 PRO 16 -7.006 4.738 0.135 93 HB3 PRO 16 HB3 PRO 16 -8.651 5.059 0.685 94 HG2 PRO 16 HG2 PRO 16 -6.067 5.459 2.104 95 HG3 PRO 16 HG3 PRO 16 -7.557 6.416 2.176 96 HD2 PRO 16 HD2 PRO 16 -6.785 4.679 4.113 97 HD3 PRO 16 HD3 PRO 16 -8.481 5.087 3.784 98 H THR 17 H THR 17 -7.921 0.886 0.523 99 HA THR 17 HA THR 17 -5.109 0.344 0.581 100 HB THR 17 HB THR 17 -6.007 -1.945 -0.154 101 HG1 THR 17 HG1 THR 17 -8.056 -2.034 -0.564 102 HG21 THR 17 HG21 THR 17 -5.394 -1.393 2.180 103 HG22 THR 17 HG22 THR 17 -6.819 -2.437 2.123 104 HG23 THR 17 HG23 THR 17 -6.999 -0.709 2.426 105 H VAL 18 H VAL 18 -7.268 1.530 -1.731 106 HA VAL 18 HA VAL 18 -5.743 0.449 -3.983 107 HB VAL 18 HB VAL 18 -8.298 2.098 -3.954 108 HG11 VAL 18 HG11 VAL 18 -8.427 1.661 -6.365 109 HG12 VAL 18 HG12 VAL 18 -6.862 0.853 -6.305 110 HG13 VAL 18 HG13 VAL 18 -6.974 2.578 -5.963 111 HG21 VAL 18 HG21 VAL 18 -7.825 -0.779 -4.682 112 HG22 VAL 18 HG22 VAL 18 -9.374 0.061 -4.712 113 HG23 VAL 18 HG23 VAL 18 -8.542 -0.213 -3.178 114 H CYS 19 H CYS 19 -4.228 1.601 -4.899 115 HA CYS 19 HA CYS 19 -3.554 4.189 -3.879 116 HB2 CYS 19 HB2 CYS 19 -2.274 2.514 -6.036 117 HB3 CYS 19 HB3 CYS 19 -1.574 3.940 -5.282 118 H ALA 20 H ALA 20 -2.747 5.823 -5.550 119 HA ALA 20 HA ALA 20 -4.945 6.685 -7.116 120 HB1 ALA 20 HB1 ALA 20 -3.505 8.561 -7.714 121 HB2 ALA 20 HB2 ALA 20 -2.103 7.705 -7.081 122 HB3 ALA 20 HB3 ALA 20 -3.370 8.238 -5.982 123 H SER 21 H SER 21 -4.737 7.251 -9.449 124 HA SER 21 HA SER 21 -4.045 4.950 -10.908 125 HB2 SER 21 HB2 SER 21 -4.651 7.740 -11.911 126 HB3 SER 21 HB3 SER 21 -4.724 6.254 -12.857 127 HG SER 21 HG SER 21 -6.207 5.864 -10.707 128 H GLY 22 H GLY 22 -2.026 4.386 -11.385 129 HA2 GLY 22 HA2 GLY 22 -0.056 4.888 -12.666 130 HA3 GLY 22 HA3 GLY 22 -0.106 6.518 -12.007 131 H THR 23 H THR 23 -0.948 4.426 -9.582 132 HA THR 23 HA THR 23 1.826 3.973 -8.784 133 HB THR 23 HB THR 23 1.241 4.590 -6.429 134 HG1 THR 23 HG1 THR 23 -1.232 4.982 -7.620 135 HG21 THR 23 HG21 THR 23 1.244 7.018 -6.723 136 HG22 THR 23 HG22 THR 23 0.792 6.816 -8.418 137 HG23 THR 23 HG23 THR 23 2.358 6.244 -7.851 138 H THR 24 H THR 24 2.150 2.090 -7.622 139 HA THR 24 HA THR 24 -0.208 0.352 -7.465 140 HB THR 24 HB THR 24 1.493 -1.528 -7.742 141 HG1 THR 24 HG1 THR 24 3.156 0.671 -7.914 142 HG21 THR 24 HG21 THR 24 -0.020 -0.881 -9.552 143 HG22 THR 24 HG22 THR 24 1.567 -1.295 -10.201 144 HG23 THR 24 HG23 THR 24 1.093 0.398 -10.040 145 H CYS 25 H CYS 25 -0.395 -1.009 -5.685 146 HA CYS 25 HA CYS 25 0.848 -0.017 -3.304 147 HB2 CYS 25 HB2 CYS 25 -1.522 -0.674 -3.277 148 HB3 CYS 25 HB3 CYS 25 -1.082 -2.316 -3.723 149 H GLN 26 H GLN 26 2.954 -0.513 -3.200 150 HA GLN 26 HA GLN 26 3.854 -3.198 -3.840 151 HB2 GLN 26 HB2 GLN 26 5.370 -0.682 -3.151 152 HB3 GLN 26 HB3 GLN 26 6.109 -2.218 -3.566 153 HG2 GLN 26 HG2 GLN 26 4.317 -0.637 -5.408 154 HG3 GLN 26 HG3 GLN 26 6.076 -0.569 -5.413 155 HE21 GLN 26 HE21 GLN 26 6.221 -1.290 -7.475 156 HE22 GLN 26 HE22 GLN 26 5.922 -2.918 -7.946 157 H VAL 27 H VAL 27 4.177 -4.635 -2.324 158 HA VAL 27 HA VAL 27 3.928 -3.884 0.449 159 HB VAL 27 HB VAL 27 4.352 -6.592 -0.858 160 HG11 VAL 27 HG11 VAL 27 3.703 -7.554 1.284 161 HG12 VAL 27 HG12 VAL 27 3.599 -5.942 1.990 162 HG13 VAL 27 HG13 VAL 27 5.157 -6.569 1.449 163 HG21 VAL 27 HG21 VAL 27 2.220 -5.601 -1.457 164 HG22 VAL 27 HG22 VAL 27 1.858 -5.309 0.243 165 HG23 VAL 27 HG23 VAL 27 1.977 -6.961 -0.360 166 H LEU 28 H LEU 28 5.654 -3.067 1.355 167 HA LEU 28 HA LEU 28 8.325 -3.798 0.445 168 HB2 LEU 28 HB2 LEU 28 7.439 -1.760 2.498 169 HB3 LEU 28 HB3 LEU 28 9.066 -1.941 1.868 170 HG LEU 28 HG LEU 28 6.658 -1.097 0.239 171 HD11 LEU 28 HD11 LEU 28 8.971 0.510 1.292 172 HD12 LEU 28 HD12 LEU 28 7.283 0.613 1.804 173 HD13 LEU 28 HD13 LEU 28 7.742 1.089 0.170 174 HD21 LEU 28 HD21 LEU 28 8.289 -0.537 -1.461 175 HD22 LEU 28 HD22 LEU 28 8.317 -2.271 -1.093 176 HD23 LEU 28 HD23 LEU 28 9.569 -1.194 -0.445 177 H ASN 29 H ASN 29 6.312 -3.834 3.299 178 HA ASN 29 HA ASN 29 7.934 -5.983 4.462 179 HB2 ASN 29 HB2 ASN 29 6.605 -3.700 5.976 180 HB3 ASN 29 HB3 ASN 29 7.430 -5.069 6.697 181 HD21 ASN 29 HD21 ASN 29 7.850 -2.284 7.046 182 HD22 ASN 29 HD22 ASN 29 9.464 -1.902 6.600 183 HA PRO 30 HA PRO 30 3.949 -7.944 4.737 184 HB2 PRO 30 HB2 PRO 30 4.250 -8.211 7.694 185 HB3 PRO 30 HB3 PRO 30 3.904 -9.458 6.493 186 HG2 PRO 30 HG2 PRO 30 6.316 -9.298 7.568 187 HG3 PRO 30 HG3 PRO 30 6.135 -9.620 5.832 188 HD2 PRO 30 HD2 PRO 30 6.853 -7.072 7.219 189 HD3 PRO 30 HD3 PRO 30 7.535 -7.753 5.732 190 H TYR 31 H TYR 31 4.605 -5.548 7.254 191 HA TYR 31 HA TYR 31 1.739 -4.990 7.503 192 HB2 TYR 31 HB2 TYR 31 4.065 -3.912 9.115 193 HB3 TYR 31 HB3 TYR 31 2.360 -3.686 9.472 194 HD1 TYR 31 HD1 TYR 31 1.144 -5.356 10.675 195 HD2 TYR 31 HD2 TYR 31 5.084 -6.183 9.320 196 HE1 TYR 31 HE1 TYR 31 1.185 -7.400 12.043 197 HE2 TYR 31 HE2 TYR 31 5.132 -8.223 10.678 198 HH TYR 31 HH TYR 31 2.353 -9.526 12.012 199 H TYR 32 H TYR 32 4.710 -3.624 6.247 200 HA TYR 32 HA TYR 32 3.290 -1.129 5.761 201 HB2 TYR 32 HB2 TYR 32 5.429 -0.907 6.956 202 HB3 TYR 32 HB3 TYR 32 6.264 -1.621 5.579 203 HD1 TYR 32 HD1 TYR 32 3.905 1.168 6.325 204 HD2 TYR 32 HD2 TYR 32 7.268 -0.150 4.069 205 HE1 TYR 32 HE1 TYR 32 4.142 3.412 5.378 206 HE2 TYR 32 HE2 TYR 32 7.507 2.092 3.114 207 HH TYR 32 HH TYR 32 6.269 4.070 2.754 208 H SER 33 H SER 33 2.367 -0.969 3.925 209 HA SER 33 HA SER 33 3.753 -1.895 1.522 210 HB2 SER 33 HB2 SER 33 0.754 -1.768 2.010 211 HB3 SER 33 HB3 SER 33 1.543 -2.356 0.547 212 HG SER 33 HG SER 33 0.920 -4.071 1.900 213 H GLN 34 H GLN 34 3.851 -0.315 -0.082 214 HA GLN 34 HA GLN 34 2.645 2.260 0.599 215 HB2 GLN 34 HB2 GLN 34 4.855 2.501 1.392 216 HB3 GLN 34 HB3 GLN 34 5.530 1.674 -0.001 217 HG2 GLN 34 HG2 GLN 34 5.067 3.553 -1.406 218 HG3 GLN 34 HG3 GLN 34 4.196 4.369 -0.103 219 HE21 GLN 34 HE21 GLN 34 5.360 5.469 1.452 220 HE22 GLN 34 HE22 GLN 34 7.056 5.686 1.354 221 H CYS 35 H CYS 35 1.873 3.420 -1.031 222 HA CYS 35 HA CYS 35 1.593 2.216 -3.598 223 HB2 CYS 35 HB2 CYS 35 0.885 4.992 -2.657 224 HB3 CYS 35 HB3 CYS 35 0.444 4.321 -4.221 225 H LEU 36 H LEU 36 3.235 2.064 -4.829 226 HA LEU 36 HA LEU 36 4.920 4.396 -5.288 227 HB2 LEU 36 HB2 LEU 36 5.585 1.461 -5.449 228 HB3 LEU 36 HB3 LEU 36 6.634 2.725 -6.058 229 HG LEU 36 HG LEU 36 5.819 2.413 -3.163 230 HD11 LEU 36 HD11 LEU 36 8.113 1.713 -2.796 231 HD12 LEU 36 HD12 LEU 36 8.430 1.786 -4.532 232 HD13 LEU 36 HD13 LEU 36 7.286 0.602 -3.888 233 HD21 LEU 36 HD21 LEU 36 7.801 4.255 -4.500 234 HD22 LEU 36 HD22 LEU 36 7.582 4.075 -2.763 235 HD23 LEU 36 HD23 LEU 36 6.276 4.729 -3.748 236 H1 MAN 101 H1 MAN 101 -5.541 8.217 -5.966 237 H2 MAN 101 H2 MAN 101 -6.518 10.465 -5.231 238 H3 MAN 101 H3 MAN 101 -8.810 10.219 -5.994 239 H4 MAN 101 H4 MAN 101 -7.544 10.065 -8.727 240 H5 MAN 101 H5 MAN 101 -9.036 7.985 -7.027 241 H61 MAN 101 H61 MAN 101 -8.547 6.384 -8.813 242 H62 MAN 101 H62 MAN 101 -7.869 7.660 -9.847 243 HO2 MAN 101 HO2 MAN 101 -5.850 11.460 -7.176 244 HO3 MAN 101 HO3 MAN 101 -7.814 12.338 -6.197 245 HO4 MAN 101 HO4 MAN 101 -9.487 11.195 -8.429 246 HO6 MAN 101 HO6 MAN 101 -10.111 8.651 -9.306 Start of MODEL 8 1 H1 THR 1 H1 THR 1 -8.656 7.353 -1.039 2 H2 THR 1 H2 THR 1 -9.257 7.469 -2.612 3 H3 THR 1 H3 THR 1 -8.090 8.562 -2.054 4 HA THR 1 HA THR 1 -7.645 5.687 -2.457 5 HB THR 1 HB THR 1 -5.968 6.540 -4.097 6 HG21 THR 1 HG21 THR 1 -7.621 7.021 -5.890 7 HG22 THR 1 HG22 THR 1 -8.844 7.345 -4.666 8 HG23 THR 1 HG23 THR 1 -8.185 5.722 -4.842 9 H GLN 2 H GLN 2 -5.099 5.500 -2.447 10 HA GLN 2 HA GLN 2 -4.081 7.161 -0.278 11 HB2 GLN 2 HB2 GLN 2 -4.051 4.632 0.017 12 HB3 GLN 2 HB3 GLN 2 -2.907 4.569 -1.321 13 HG2 GLN 2 HG2 GLN 2 -1.690 4.517 0.759 14 HG3 GLN 2 HG3 GLN 2 -1.392 6.041 -0.072 15 HE21 GLN 2 HE21 GLN 2 -4.305 5.243 1.724 16 HE22 GLN 2 HE22 GLN 2 -4.081 6.426 2.957 17 H SER 3 H SER 3 -2.191 8.322 -0.668 18 HA SER 3 HA SER 3 -1.760 8.985 -3.417 19 HB2 SER 3 HB2 SER 3 -0.345 9.977 -0.944 20 HB3 SER 3 HB3 SER 3 -0.354 10.741 -2.533 21 HG SER 3 HG SER 3 -2.874 10.279 -1.640 22 H HIS 4 H HIS 4 0.404 9.152 -4.315 23 HA HIS 4 HA HIS 4 1.980 6.807 -4.191 24 HB2 HIS 4 HB2 HIS 4 1.808 8.472 -6.109 25 HB3 HIS 4 HB3 HIS 4 2.788 9.566 -5.162 26 HD1 HIS 4 HD1 HIS 4 5.013 9.640 -6.220 27 HD2 HIS 4 HD2 HIS 4 3.471 5.797 -6.181 28 HE1 HIS 4 HE1 HIS 4 6.737 8.215 -7.359 29 HE2 HIS 4 HE2 HIS 4 5.662 5.964 -7.552 30 H TYR 5 H TYR 5 3.589 6.275 -2.812 31 HA TYR 5 HA TYR 5 5.050 6.278 -1.140 32 HB2 TYR 5 HB2 TYR 5 5.041 9.273 -1.439 33 HB3 TYR 5 HB3 TYR 5 5.892 8.492 -0.118 34 HD1 TYR 5 HD1 TYR 5 5.850 9.101 -3.706 35 HD2 TYR 5 HD2 TYR 5 7.844 7.137 -0.521 36 HE1 TYR 5 HE1 TYR 5 7.797 8.736 -5.156 37 HE2 TYR 5 HE2 TYR 5 9.795 6.762 -1.961 38 HH TYR 5 HH TYR 5 10.174 8.325 -4.923 39 H GLY 6 H GLY 6 2.039 6.778 -0.904 40 HA2 GLY 6 HA2 GLY 6 2.037 7.256 1.970 41 HA3 GLY 6 HA3 GLY 6 0.614 7.197 0.923 42 H GLN 7 H GLN 7 0.836 5.742 3.285 43 HA GLN 7 HA GLN 7 1.576 3.052 2.573 44 HB2 GLN 7 HB2 GLN 7 2.015 3.721 4.854 45 HB3 GLN 7 HB3 GLN 7 0.336 4.190 5.087 46 HG2 GLN 7 HG2 GLN 7 -0.363 1.872 4.913 47 HG3 GLN 7 HG3 GLN 7 1.296 1.378 4.588 48 HE21 GLN 7 HE21 GLN 7 -0.600 0.674 6.746 49 HE22 GLN 7 HE22 GLN 7 0.225 1.020 8.208 50 H CYS 8 H CYS 8 0.328 2.149 1.121 51 HA CYS 8 HA CYS 8 -2.444 2.578 0.805 52 HB2 CYS 8 HB2 CYS 8 -2.297 0.491 -0.642 53 HB3 CYS 8 HB3 CYS 8 -1.271 1.840 -1.109 54 H GLY 9 H GLY 9 -0.605 0.013 2.341 55 HA2 GLY 9 HA2 GLY 9 -1.998 -0.391 4.501 56 HA3 GLY 9 HA3 GLY 9 -3.125 -1.035 3.321 57 H GLY 10 H GLY 10 -0.626 -1.683 5.354 58 HA2 GLY 10 HA2 GLY 10 -0.036 -4.191 4.009 59 HA3 GLY 10 HA3 GLY 10 0.849 -3.525 5.382 60 H ILE 11 H ILE 11 0.444 -5.656 6.347 61 HA ILE 11 HA ILE 11 -2.125 -6.581 6.987 62 HB ILE 11 HB ILE 11 0.452 -6.966 8.555 63 HG12 ILE 11 HG12 ILE 11 -0.770 -8.720 6.402 64 HG13 ILE 11 HG13 ILE 11 0.595 -7.640 6.159 65 HG21 ILE 11 HG21 ILE 11 -1.521 -7.566 9.866 66 HG22 ILE 11 HG22 ILE 11 -0.624 -9.015 9.409 67 HG23 ILE 11 HG23 ILE 11 -2.104 -8.586 8.550 68 HD11 ILE 11 HD11 ILE 11 1.297 -9.955 6.431 69 HD12 ILE 11 HD12 ILE 11 0.530 -10.001 8.021 70 HD13 ILE 11 HD13 ILE 11 1.911 -8.944 7.740 71 H GLY 12 H GLY 12 -3.609 -5.604 8.196 72 HA2 GLY 12 HA2 GLY 12 -4.279 -4.921 10.423 73 HA3 GLY 12 HA3 GLY 12 -2.732 -4.101 10.576 74 H TYR 13 H TYR 13 -3.494 -3.381 7.570 75 HA TYR 13 HA TYR 13 -4.900 -0.898 8.329 76 HB2 TYR 13 HB2 TYR 13 -2.594 -0.805 7.287 77 HB3 TYR 13 HB3 TYR 13 -3.279 -1.544 5.856 78 HD1 TYR 13 HD1 TYR 13 -5.348 -0.147 4.815 79 HD2 TYR 13 HD2 TYR 13 -2.323 1.461 7.325 80 HE1 TYR 13 HE1 TYR 13 -5.756 2.086 3.873 81 HE2 TYR 13 HE2 TYR 13 -2.738 3.692 6.400 82 HH TYR 13 HH TYR 13 -3.633 4.534 4.168 83 H SER 14 H SER 14 -6.973 -0.633 7.503 84 HA SER 14 HA SER 14 -7.748 -2.424 5.311 85 HB2 SER 14 HB2 SER 14 -9.984 -2.598 6.519 86 HB3 SER 14 HB3 SER 14 -8.620 -3.481 7.212 87 HG SER 14 HG SER 14 -8.551 -2.182 8.847 88 H GLY 15 H GLY 15 -7.341 0.705 6.022 89 HA2 GLY 15 HA2 GLY 15 -9.862 1.805 5.175 90 HA3 GLY 15 HA3 GLY 15 -8.391 2.684 5.514 91 HA PRO 16 HA PRO 16 -8.700 3.228 1.031 92 HB2 PRO 16 HB2 PRO 16 -6.779 5.181 0.882 93 HB3 PRO 16 HB3 PRO 16 -8.473 5.497 1.263 94 HG2 PRO 16 HG2 PRO 16 -6.131 5.271 3.093 95 HG3 PRO 16 HG3 PRO 16 -7.517 6.372 3.174 96 HD2 PRO 16 HD2 PRO 16 -7.292 4.148 4.731 97 HD3 PRO 16 HD3 PRO 16 -8.853 4.811 4.212 98 H THR 17 H THR 17 -7.863 1.206 0.656 99 HA THR 17 HA THR 17 -4.991 0.780 0.660 100 HB THR 17 HB THR 17 -5.735 -1.586 0.003 101 HG1 THR 17 HG1 THR 17 -8.264 -0.759 0.950 102 HG21 THR 17 HG21 THR 17 -6.786 -0.450 2.607 103 HG22 THR 17 HG22 THR 17 -5.130 -0.984 2.323 104 HG23 THR 17 HG23 THR 17 -6.453 -2.151 2.287 105 H VAL 18 H VAL 18 -7.469 1.680 -1.434 106 HA VAL 18 HA VAL 18 -6.234 0.755 -3.857 107 HB VAL 18 HB VAL 18 -8.489 2.759 -3.468 108 HG11 VAL 18 HG11 VAL 18 -8.975 2.409 -5.854 109 HG12 VAL 18 HG12 VAL 18 -7.557 1.371 -5.992 110 HG13 VAL 18 HG13 VAL 18 -7.361 3.084 -5.626 111 HG21 VAL 18 HG21 VAL 18 -9.005 0.470 -2.695 112 HG22 VAL 18 HG22 VAL 18 -8.617 -0.142 -4.301 113 HG23 VAL 18 HG23 VAL 18 -9.978 0.953 -4.077 114 H CYS 19 H CYS 19 -4.527 1.631 -4.664 115 HA CYS 19 HA CYS 19 -3.510 4.147 -3.788 116 HB2 CYS 19 HB2 CYS 19 -2.538 2.189 -5.858 117 HB3 CYS 19 HB3 CYS 19 -1.675 3.656 -5.413 118 H ALA 20 H ALA 20 -2.540 5.601 -5.542 119 HA ALA 20 HA ALA 20 -4.655 6.775 -6.983 120 HB1 ALA 20 HB1 ALA 20 -2.812 8.049 -5.971 121 HB2 ALA 20 HB2 ALA 20 -2.962 8.352 -7.705 122 HB3 ALA 20 HB3 ALA 20 -1.691 7.289 -7.102 123 H SER 21 H SER 21 -4.614 7.227 -9.266 124 HA SER 21 HA SER 21 -4.384 4.864 -10.765 125 HB2 SER 21 HB2 SER 21 -4.755 7.724 -11.696 126 HB3 SER 21 HB3 SER 21 -5.137 6.269 -12.619 127 HG SER 21 HG SER 21 -6.280 6.120 -10.220 128 H GLY 22 H GLY 22 -2.546 4.016 -11.366 129 HA2 GLY 22 HA2 GLY 22 -0.692 4.125 -12.899 130 HA3 GLY 22 HA3 GLY 22 -0.430 5.777 -12.356 131 H THR 23 H THR 23 -1.158 4.294 -9.595 132 HA THR 23 HA THR 23 1.654 3.574 -9.089 133 HB THR 23 HB THR 23 1.332 4.307 -6.750 134 HG1 THR 23 HG1 THR 23 -1.298 4.641 -7.655 135 HG21 THR 23 HG21 THR 23 1.131 6.694 -7.116 136 HG22 THR 23 HG22 THR 23 0.483 6.407 -8.734 137 HG23 THR 23 HG23 THR 23 2.146 5.950 -8.351 138 H THR 24 H THR 24 2.038 1.757 -7.733 139 HA THR 24 HA THR 24 -0.338 0.082 -7.370 140 HB THR 24 HB THR 24 1.264 -1.876 -7.527 141 HG1 THR 24 HG1 THR 24 3.058 0.178 -7.817 142 HG21 THR 24 HG21 THR 24 -0.223 -1.296 -9.374 143 HG22 THR 24 HG22 THR 24 1.336 -1.851 -9.990 144 HG23 THR 24 HG23 THR 24 0.956 -0.129 -9.974 145 H CYS 25 H CYS 25 -0.516 -1.092 -5.476 146 HA CYS 25 HA CYS 25 0.854 0.006 -3.196 147 HB2 CYS 25 HB2 CYS 25 -1.539 -0.570 -3.033 148 HB3 CYS 25 HB3 CYS 25 -1.177 -2.240 -3.436 149 H GLN 26 H GLN 26 2.940 -0.589 -3.115 150 HA GLN 26 HA GLN 26 3.593 -3.366 -3.675 151 HB2 GLN 26 HB2 GLN 26 5.428 -0.990 -3.340 152 HB3 GLN 26 HB3 GLN 26 5.923 -2.616 -3.789 153 HG2 GLN 26 HG2 GLN 26 4.527 -2.426 -5.826 154 HG3 GLN 26 HG3 GLN 26 4.186 -0.755 -5.395 155 HE21 GLN 26 HE21 GLN 26 5.152 0.109 -7.172 156 HE22 GLN 26 HE22 GLN 26 6.849 0.078 -7.445 157 H VAL 27 H VAL 27 4.220 -4.692 -2.178 158 HA VAL 27 HA VAL 27 4.017 -3.825 0.561 159 HB VAL 27 HB VAL 27 4.447 -6.600 -0.593 160 HG11 VAL 27 HG11 VAL 27 3.670 -5.775 2.197 161 HG12 VAL 27 HG12 VAL 27 5.220 -6.453 1.701 162 HG13 VAL 27 HG13 VAL 27 3.756 -7.429 1.589 163 HG21 VAL 27 HG21 VAL 27 1.927 -5.261 0.370 164 HG22 VAL 27 HG22 VAL 27 2.064 -6.956 -0.095 165 HG23 VAL 27 HG23 VAL 27 2.314 -5.687 -1.297 166 H LEU 28 H LEU 28 5.853 -2.670 0.955 167 HA LEU 28 HA LEU 28 8.461 -3.577 0.241 168 HB2 LEU 28 HB2 LEU 28 7.701 -1.643 2.443 169 HB3 LEU 28 HB3 LEU 28 9.294 -1.830 1.747 170 HG LEU 28 HG LEU 28 6.857 -0.656 0.404 171 HD11 LEU 28 HD11 LEU 28 8.150 1.393 0.379 172 HD12 LEU 28 HD12 LEU 28 9.493 0.569 1.168 173 HD13 LEU 28 HD13 LEU 28 7.974 0.791 2.030 174 HD21 LEU 28 HD21 LEU 28 8.324 -0.181 -1.484 175 HD22 LEU 28 HD22 LEU 28 8.146 -1.920 -1.230 176 HD23 LEU 28 HD23 LEU 28 9.623 -1.095 -0.713 177 H ASN 29 H ASN 29 6.658 -3.411 3.255 178 HA ASN 29 HA ASN 29 8.149 -5.727 4.266 179 HB2 ASN 29 HB2 ASN 29 7.017 -3.433 5.946 180 HB3 ASN 29 HB3 ASN 29 7.928 -4.837 6.497 181 HD21 ASN 29 HD21 ASN 29 8.428 -1.943 6.848 182 HD22 ASN 29 HD22 ASN 29 10.008 -1.678 6.207 183 HA PRO 30 HA PRO 30 4.161 -7.650 4.625 184 HB2 PRO 30 HB2 PRO 30 4.599 -7.947 7.566 185 HB3 PRO 30 HB3 PRO 30 4.153 -9.172 6.372 186 HG2 PRO 30 HG2 PRO 30 6.633 -9.091 7.277 187 HG3 PRO 30 HG3 PRO 30 6.335 -9.344 5.550 188 HD2 PRO 30 HD2 PRO 30 7.175 -6.858 6.976 189 HD3 PRO 30 HD3 PRO 30 7.766 -7.489 5.434 190 H TYR 31 H TYR 31 4.803 -5.469 7.379 191 HA TYR 31 HA TYR 31 1.965 -4.852 7.468 192 HB2 TYR 31 HB2 TYR 31 4.213 -4.014 9.325 193 HB3 TYR 31 HB3 TYR 31 2.525 -3.583 9.542 194 HD1 TYR 31 HD1 TYR 31 4.923 -6.422 9.589 195 HD2 TYR 31 HD2 TYR 31 0.956 -5.146 10.468 196 HE1 TYR 31 HE1 TYR 31 4.539 -8.493 10.826 197 HE2 TYR 31 HE2 TYR 31 0.573 -7.228 11.714 198 HH TYR 31 HH TYR 31 3.041 -9.288 12.647 199 H TYR 32 H TYR 32 4.947 -3.433 6.340 200 HA TYR 32 HA TYR 32 3.465 -0.941 5.913 201 HB2 TYR 32 HB2 TYR 32 5.689 -0.677 7.043 202 HB3 TYR 32 HB3 TYR 32 6.452 -1.312 5.590 203 HD1 TYR 32 HD1 TYR 32 6.829 0.081 3.690 204 HD2 TYR 32 HD2 TYR 32 4.437 1.499 6.904 205 HE1 TYR 32 HE1 TYR 32 6.831 2.331 2.690 206 HE2 TYR 32 HE2 TYR 32 4.437 3.749 5.922 207 HH TYR 32 HH TYR 32 5.850 5.069 4.388 208 H SER 33 H SER 33 2.513 -0.758 4.058 209 HA SER 33 HA SER 33 3.877 -1.733 1.666 210 HB2 SER 33 HB2 SER 33 0.896 -1.705 2.215 211 HB3 SER 33 HB3 SER 33 1.678 -2.361 0.779 212 HG SER 33 HG SER 33 2.841 -3.509 2.825 213 H GLN 34 H GLN 34 3.793 -0.247 -0.080 214 HA GLN 34 HA GLN 34 2.714 2.396 0.617 215 HB2 GLN 34 HB2 GLN 34 5.087 2.300 1.215 216 HB3 GLN 34 HB3 GLN 34 5.484 1.774 -0.410 217 HG2 GLN 34 HG2 GLN 34 4.743 3.900 -1.293 218 HG3 GLN 34 HG3 GLN 34 4.290 4.434 0.327 219 HE21 GLN 34 HE21 GLN 34 5.943 4.913 1.807 220 HE22 GLN 34 HE22 GLN 34 7.549 5.199 1.279 221 H CYS 35 H CYS 35 1.947 3.580 -1.099 222 HA CYS 35 HA CYS 35 1.507 2.202 -3.581 223 HB2 CYS 35 HB2 CYS 35 0.854 5.034 -2.772 224 HB3 CYS 35 HB3 CYS 35 0.376 4.314 -4.300 225 H LEU 36 H LEU 36 3.069 1.974 -4.913 226 HA LEU 36 HA LEU 36 4.642 4.271 -5.704 227 HB2 LEU 36 HB2 LEU 36 5.580 1.437 -5.250 228 HB3 LEU 36 HB3 LEU 36 6.514 2.651 -6.096 229 HG LEU 36 HG LEU 36 5.646 2.896 -3.215 230 HD11 LEU 36 HD11 LEU 36 7.192 1.036 -3.488 231 HD12 LEU 36 HD12 LEU 36 7.967 2.391 -2.667 232 HD13 LEU 36 HD13 LEU 36 8.308 2.079 -4.369 233 HD21 LEU 36 HD21 LEU 36 7.296 4.703 -3.157 234 HD22 LEU 36 HD22 LEU 36 6.027 5.036 -4.333 235 HD23 LEU 36 HD23 LEU 36 7.609 4.480 -4.878 236 H1 MAN 101 H1 MAN 101 -4.607 8.268 -4.388 237 H2 MAN 101 H2 MAN 101 -5.093 10.617 -3.466 238 H3 MAN 101 H3 MAN 101 -6.955 11.272 -4.803 239 H4 MAN 101 H4 MAN 101 -5.072 10.895 -7.165 240 H5 MAN 101 H5 MAN 101 -7.582 9.362 -6.332 241 H61 MAN 101 H61 MAN 101 -7.295 9.543 -8.800 242 H62 MAN 101 H62 MAN 101 -7.116 7.882 -8.211 243 HO2 MAN 101 HO2 MAN 101 -3.542 11.510 -4.877 244 HO3 MAN 101 HO3 MAN 101 -5.275 12.874 -4.371 245 HO4 MAN 101 HO4 MAN 101 -6.529 12.625 -7.313 246 HO6 MAN 101 HO6 MAN 101 -4.721 9.218 -8.162 Start of MODEL 9 1 H1 THR 1 H1 THR 1 -9.522 7.230 -3.701 2 H2 THR 1 H2 THR 1 -8.506 8.502 -3.241 3 H3 THR 1 H3 THR 1 -8.923 7.347 -2.109 4 HA THR 1 HA THR 1 -7.675 5.717 -3.377 5 HB THR 1 HB THR 1 -6.167 6.653 -5.155 6 HG21 THR 1 HG21 THR 1 -7.920 6.606 -6.927 7 HG22 THR 1 HG22 THR 1 -9.154 6.871 -5.709 8 HG23 THR 1 HG23 THR 1 -8.231 5.363 -5.712 9 H GLN 2 H GLN 2 -5.551 5.382 -2.711 10 HA GLN 2 HA GLN 2 -4.531 7.305 -0.816 11 HB2 GLN 2 HB2 GLN 2 -4.625 4.883 -0.256 12 HB3 GLN 2 HB3 GLN 2 -3.514 4.549 -1.572 13 HG2 GLN 2 HG2 GLN 2 -2.406 4.541 0.619 14 HG3 GLN 2 HG3 GLN 2 -1.760 5.784 -0.452 15 HE21 GLN 2 HE21 GLN 2 -3.718 5.168 2.330 16 HE22 GLN 2 HE22 GLN 2 -3.680 6.776 2.977 17 H SER 3 H SER 3 -2.658 8.401 -1.043 18 HA SER 3 HA SER 3 -1.962 8.948 -3.749 19 HB2 SER 3 HB2 SER 3 -1.018 10.198 -1.167 20 HB3 SER 3 HB3 SER 3 -0.737 10.839 -2.789 21 HG SER 3 HG SER 3 -2.718 11.514 -2.888 22 H HIS 4 H HIS 4 0.280 9.287 -4.358 23 HA HIS 4 HA HIS 4 1.862 6.973 -4.190 24 HB2 HIS 4 HB2 HIS 4 1.766 8.735 -6.045 25 HB3 HIS 4 HB3 HIS 4 2.746 9.755 -5.010 26 HD1 HIS 4 HD1 HIS 4 4.839 9.817 -6.417 27 HD2 HIS 4 HD2 HIS 4 3.475 5.974 -5.758 28 HE1 HIS 4 HE1 HIS 4 6.604 8.319 -7.369 29 HE2 HIS 4 HE2 HIS 4 5.609 6.045 -7.242 30 H TYR 5 H TYR 5 3.389 6.415 -2.757 31 HA TYR 5 HA TYR 5 4.808 6.369 -1.051 32 HB2 TYR 5 HB2 TYR 5 4.735 9.388 -1.145 33 HB3 TYR 5 HB3 TYR 5 5.653 8.498 0.059 34 HD1 TYR 5 HD1 TYR 5 5.477 9.505 -3.436 35 HD2 TYR 5 HD2 TYR 5 7.599 7.183 -0.583 36 HE1 TYR 5 HE1 TYR 5 7.368 9.335 -4.989 37 HE2 TYR 5 HE2 TYR 5 9.486 6.994 -2.128 38 HH TYR 5 HH TYR 5 9.787 8.940 -4.849 39 H GLY 6 H GLY 6 1.775 6.832 -0.899 40 HA2 GLY 6 HA2 GLY 6 1.616 7.233 1.974 41 HA3 GLY 6 HA3 GLY 6 0.263 7.084 0.848 42 H GLN 7 H GLN 7 0.673 5.615 3.294 43 HA GLN 7 HA GLN 7 1.525 2.968 2.586 44 HB2 GLN 7 HB2 GLN 7 1.627 3.978 4.929 45 HB3 GLN 7 HB3 GLN 7 -0.122 3.827 4.976 46 HG2 GLN 7 HG2 GLN 7 0.066 1.404 4.770 47 HG3 GLN 7 HG3 GLN 7 1.819 1.537 4.682 48 HE21 GLN 7 HE21 GLN 7 0.247 0.068 6.612 49 HE22 GLN 7 HE22 GLN 7 0.600 0.715 8.154 50 H CYS 8 H CYS 8 0.321 1.632 1.422 51 HA CYS 8 HA CYS 8 -2.418 2.324 0.845 52 HB2 CYS 8 HB2 CYS 8 -2.266 0.405 -0.785 53 HB3 CYS 8 HB3 CYS 8 -1.162 1.744 -1.067 54 H GLY 9 H GLY 9 -0.838 -0.700 1.923 55 HA2 GLY 9 HA2 GLY 9 -2.726 -1.134 3.903 56 HA3 GLY 9 HA3 GLY 9 -3.328 -1.904 2.447 57 H GLY 10 H GLY 10 -0.956 -1.939 4.924 58 HA2 GLY 10 HA2 GLY 10 0.024 -4.532 3.997 59 HA3 GLY 10 HA3 GLY 10 0.766 -3.540 5.253 60 H ILE 11 H ILE 11 0.553 -5.797 6.328 61 HA ILE 11 HA ILE 11 -1.940 -6.745 7.196 62 HB ILE 11 HB ILE 11 0.706 -6.912 8.686 63 HG12 ILE 11 HG12 ILE 11 -0.527 -8.898 6.756 64 HG13 ILE 11 HG13 ILE 11 0.819 -7.832 6.381 65 HG21 ILE 11 HG21 ILE 11 -0.264 -8.896 9.771 66 HG22 ILE 11 HG22 ILE 11 -1.784 -8.606 8.928 67 HG23 ILE 11 HG23 ILE 11 -1.200 -7.440 10.115 68 HD11 ILE 11 HD11 ILE 11 1.584 -10.087 6.886 69 HD12 ILE 11 HD12 ILE 11 0.821 -9.998 8.472 70 HD13 ILE 11 HD13 ILE 11 2.173 -8.938 8.086 71 H GLY 12 H GLY 12 -3.400 -5.710 8.387 72 HA2 GLY 12 HA2 GLY 12 -4.035 -4.874 10.548 73 HA3 GLY 12 HA3 GLY 12 -2.468 -4.091 10.646 74 H TYR 13 H TYR 13 -3.168 -3.426 7.658 75 HA TYR 13 HA TYR 13 -4.175 -0.805 8.405 76 HB2 TYR 13 HB2 TYR 13 -2.187 -1.174 6.902 77 HB3 TYR 13 HB3 TYR 13 -3.307 -1.803 5.698 78 HD1 TYR 13 HD1 TYR 13 -1.677 1.029 7.010 79 HD2 TYR 13 HD2 TYR 13 -5.163 -0.131 4.894 80 HE1 TYR 13 HE1 TYR 13 -1.909 3.299 6.176 81 HE2 TYR 13 HE2 TYR 13 -5.406 2.172 4.046 82 HH TYR 13 HH TYR 13 -2.946 4.241 4.057 83 H SER 14 H SER 14 -6.307 -0.504 8.416 84 HA SER 14 HA SER 14 -7.972 -2.050 6.576 85 HB2 SER 14 HB2 SER 14 -9.726 -1.572 8.407 86 HB3 SER 14 HB3 SER 14 -8.468 -2.764 8.743 87 HG SER 14 HG SER 14 -8.209 -1.591 10.444 88 H GLY 15 H GLY 15 -6.655 0.721 6.386 89 HA2 GLY 15 HA2 GLY 15 -9.038 2.393 6.065 90 HA3 GLY 15 HA3 GLY 15 -7.373 2.955 6.048 91 HA PRO 16 HA PRO 16 -8.648 3.069 1.654 92 HB2 PRO 16 HB2 PRO 16 -6.934 5.052 0.925 93 HB3 PRO 16 HB3 PRO 16 -8.500 5.348 1.686 94 HG2 PRO 16 HG2 PRO 16 -5.776 5.379 2.886 95 HG3 PRO 16 HG3 PRO 16 -7.160 6.433 3.217 96 HD2 PRO 16 HD2 PRO 16 -6.405 4.335 4.815 97 HD3 PRO 16 HD3 PRO 16 -8.059 4.969 4.728 98 H THR 17 H THR 17 -7.907 1.272 0.746 99 HA THR 17 HA THR 17 -5.061 0.728 0.639 100 HB THR 17 HB THR 17 -5.916 -1.539 -0.084 101 HG1 THR 17 HG1 THR 17 -8.139 -1.884 0.462 102 HG21 THR 17 HG21 THR 17 -5.215 -1.028 2.240 103 HG22 THR 17 HG22 THR 17 -6.555 -2.175 2.199 104 HG23 THR 17 HG23 THR 17 -6.853 -0.487 2.600 105 H VAL 18 H VAL 18 -7.400 2.066 -1.384 106 HA VAL 18 HA VAL 18 -6.378 0.811 -3.805 107 HB VAL 18 HB VAL 18 -8.550 2.917 -3.540 108 HG11 VAL 18 HG11 VAL 18 -7.546 2.899 -5.760 109 HG12 VAL 18 HG12 VAL 18 -9.188 2.258 -5.817 110 HG13 VAL 18 HG13 VAL 18 -7.807 1.158 -5.876 111 HG21 VAL 18 HG21 VAL 18 -8.791 -0.068 -3.859 112 HG22 VAL 18 HG22 VAL 18 -10.131 1.079 -3.887 113 HG23 VAL 18 HG23 VAL 18 -9.186 0.860 -2.413 114 H CYS 19 H CYS 19 -4.555 1.607 -4.505 115 HA CYS 19 HA CYS 19 -3.595 4.209 -3.923 116 HB2 CYS 19 HB2 CYS 19 -2.594 2.122 -5.862 117 HB3 CYS 19 HB3 CYS 19 -1.725 3.584 -5.420 118 H ALA 20 H ALA 20 -2.783 5.682 -5.633 119 HA ALA 20 HA ALA 20 -4.912 6.499 -7.328 120 HB1 ALA 20 HB1 ALA 20 -3.447 8.368 -7.882 121 HB2 ALA 20 HB2 ALA 20 -2.096 7.551 -7.098 122 HB3 ALA 20 HB3 ALA 20 -3.477 8.090 -6.140 123 H SER 21 H SER 21 -4.220 7.279 -9.657 124 HA SER 21 HA SER 21 -3.767 4.972 -11.151 125 HB2 SER 21 HB2 SER 21 -3.725 6.966 -12.934 126 HB3 SER 21 HB3 SER 21 -5.218 6.389 -12.186 127 HG SER 21 HG SER 21 -5.450 8.206 -11.300 128 H GLY 22 H GLY 22 -1.935 4.200 -11.968 129 HA2 GLY 22 HA2 GLY 22 0.191 4.319 -12.925 130 HA3 GLY 22 HA3 GLY 22 0.381 5.938 -12.267 131 H THR 23 H THR 23 -0.731 4.611 -9.675 132 HA THR 23 HA THR 23 1.927 3.761 -8.779 133 HB THR 23 HB THR 23 1.247 4.382 -6.505 134 HG1 THR 23 HG1 THR 23 -1.282 4.548 -7.704 135 HG21 THR 23 HG21 THR 23 2.149 6.154 -7.895 136 HG22 THR 23 HG22 THR 23 0.916 6.789 -6.803 137 HG23 THR 23 HG23 THR 23 0.535 6.519 -8.503 138 H THR 24 H THR 24 2.082 1.940 -7.329 139 HA THR 24 HA THR 24 -0.261 0.190 -7.359 140 HB THR 24 HB THR 24 1.373 -1.719 -7.503 141 HG1 THR 24 HG1 THR 24 3.149 0.399 -7.643 142 HG21 THR 24 HG21 THR 24 1.616 -1.582 -9.946 143 HG22 THR 24 HG22 THR 24 1.233 0.140 -9.878 144 HG23 THR 24 HG23 THR 24 0.020 -1.053 -9.417 145 H CYS 25 H CYS 25 -0.495 -1.110 -5.522 146 HA CYS 25 HA CYS 25 0.737 -0.085 -3.148 147 HB2 CYS 25 HB2 CYS 25 -1.636 -0.807 -3.140 148 HB3 CYS 25 HB3 CYS 25 -1.142 -2.447 -3.539 149 H GLN 26 H GLN 26 2.870 -0.550 -3.103 150 HA GLN 26 HA GLN 26 3.707 -3.264 -3.694 151 HB2 GLN 26 HB2 GLN 26 5.328 -0.758 -3.261 152 HB3 GLN 26 HB3 GLN 26 6.016 -2.342 -3.595 153 HG2 GLN 26 HG2 GLN 26 4.817 -2.387 -5.745 154 HG3 GLN 26 HG3 GLN 26 4.209 -0.766 -5.415 155 HE21 GLN 26 HE21 GLN 26 5.183 0.110 -7.198 156 HE22 GLN 26 HE22 GLN 26 6.879 0.346 -7.323 157 H VAL 27 H VAL 27 4.328 -4.638 -2.252 158 HA VAL 27 HA VAL 27 3.985 -3.961 0.523 159 HB VAL 27 HB VAL 27 4.727 -6.614 -0.765 160 HG11 VAL 27 HG11 VAL 27 5.302 -6.546 1.597 161 HG12 VAL 27 HG12 VAL 27 3.949 -7.638 1.313 162 HG13 VAL 27 HG13 VAL 27 3.660 -6.038 1.994 163 HG21 VAL 27 HG21 VAL 27 2.360 -7.223 -0.503 164 HG22 VAL 27 HG22 VAL 27 2.570 -5.848 -1.586 165 HG23 VAL 27 HG23 VAL 27 2.013 -5.592 0.068 166 H LEU 28 H LEU 28 5.702 -2.695 1.062 167 HA LEU 28 HA LEU 28 8.408 -3.346 0.364 168 HB2 LEU 28 HB2 LEU 28 7.336 -1.416 2.421 169 HB3 LEU 28 HB3 LEU 28 9.002 -1.490 1.882 170 HG LEU 28 HG LEU 28 6.641 -0.726 0.151 171 HD11 LEU 28 HD11 LEU 28 7.644 1.508 0.195 172 HD12 LEU 28 HD12 LEU 28 8.822 0.935 1.383 173 HD13 LEU 28 HD13 LEU 28 7.097 0.948 1.773 174 HD21 LEU 28 HD21 LEU 28 9.589 -0.691 -0.402 175 HD22 LEU 28 HD22 LEU 28 8.333 -0.014 -1.434 176 HD23 LEU 28 HD23 LEU 28 8.400 -1.765 -1.167 177 H ASN 29 H ASN 29 6.378 -3.597 3.186 178 HA ASN 29 HA ASN 29 8.069 -5.720 4.249 179 HB2 ASN 29 HB2 ASN 29 6.877 -3.431 5.884 180 HB3 ASN 29 HB3 ASN 29 7.580 -4.889 6.557 181 HD21 ASN 29 HD21 ASN 29 8.202 -1.788 5.188 182 HD22 ASN 29 HD22 ASN 29 9.896 -1.805 5.449 183 HA PRO 30 HA PRO 30 4.162 -7.800 4.563 184 HB2 PRO 30 HB2 PRO 30 4.589 -8.094 7.508 185 HB3 PRO 30 HB3 PRO 30 4.174 -9.328 6.312 186 HG2 PRO 30 HG2 PRO 30 6.644 -9.220 7.203 187 HG3 PRO 30 HG3 PRO 30 6.355 -9.403 5.464 188 HD2 PRO 30 HD2 PRO 30 7.077 -6.937 6.998 189 HD3 PRO 30 HD3 PRO 30 7.763 -7.516 5.467 190 H TYR 31 H TYR 31 4.767 -5.556 7.225 191 HA TYR 31 HA TYR 31 1.903 -5.012 7.444 192 HB2 TYR 31 HB2 TYR 31 4.240 -4.019 9.073 193 HB3 TYR 31 HB3 TYR 31 2.554 -3.643 9.412 194 HD1 TYR 31 HD1 TYR 31 1.212 -5.184 10.638 195 HD2 TYR 31 HD2 TYR 31 5.065 -6.359 9.298 196 HE1 TYR 31 HE1 TYR 31 1.086 -7.191 12.041 197 HE2 TYR 31 HE2 TYR 31 4.945 -8.370 10.700 198 HH TYR 31 HH TYR 31 3.806 -9.146 12.662 199 H TYR 32 H TYR 32 4.829 -3.563 6.174 200 HA TYR 32 HA TYR 32 3.331 -1.087 5.803 201 HB2 TYR 32 HB2 TYR 32 5.662 -0.916 6.860 202 HB3 TYR 32 HB3 TYR 32 6.267 -1.412 5.293 203 HD1 TYR 32 HD1 TYR 32 6.744 0.174 3.668 204 HD2 TYR 32 HD2 TYR 32 4.043 1.157 6.782 205 HE1 TYR 32 HE1 TYR 32 6.632 2.480 2.828 206 HE2 TYR 32 HE2 TYR 32 3.923 3.464 5.964 207 HH TYR 32 HH TYR 32 5.357 4.967 4.685 208 H SER 33 H SER 33 2.348 -0.939 3.980 209 HA SER 33 HA SER 33 3.752 -1.793 1.571 210 HB2 SER 33 HB2 SER 33 0.768 -1.868 2.113 211 HB3 SER 33 HB3 SER 33 1.561 -2.422 0.639 212 HG SER 33 HG SER 33 2.767 -3.670 2.598 213 H GLN 34 H GLN 34 3.679 -0.235 -0.100 214 HA GLN 34 HA GLN 34 2.465 2.333 0.662 215 HB2 GLN 34 HB2 GLN 34 4.828 2.326 1.323 216 HB3 GLN 34 HB3 GLN 34 5.290 1.883 -0.310 217 HG2 GLN 34 HG2 GLN 34 4.505 4.013 -1.133 218 HG3 GLN 34 HG3 GLN 34 3.944 4.456 0.480 219 HE21 GLN 34 HE21 GLN 34 5.492 4.972 2.060 220 HE22 GLN 34 HE22 GLN 34 7.113 5.342 1.641 221 H CYS 35 H CYS 35 1.677 3.538 -1.016 222 HA CYS 35 HA CYS 35 1.321 2.261 -3.549 223 HB2 CYS 35 HB2 CYS 35 0.616 5.060 -2.649 224 HB3 CYS 35 HB3 CYS 35 0.158 4.367 -4.196 225 H LEU 36 H LEU 36 3.002 2.070 -4.747 226 HA LEU 36 HA LEU 36 4.561 4.432 -5.422 227 HB2 LEU 36 HB2 LEU 36 5.503 1.600 -5.022 228 HB3 LEU 36 HB3 LEU 36 6.457 2.837 -5.813 229 HG LEU 36 HG LEU 36 5.492 3.001 -2.959 230 HD11 LEU 36 HD11 LEU 36 7.808 2.560 -2.358 231 HD12 LEU 36 HD12 LEU 36 8.213 2.330 -4.062 232 HD13 LEU 36 HD13 LEU 36 7.122 1.202 -3.253 233 HD21 LEU 36 HD21 LEU 36 5.824 5.184 -3.987 234 HD22 LEU 36 HD22 LEU 36 7.421 4.695 -4.548 235 HD23 LEU 36 HD23 LEU 36 7.105 4.854 -2.823 236 H1 MAN 101 H1 MAN 101 -5.946 8.331 -6.847 237 H2 MAN 101 H2 MAN 101 -6.709 10.947 -5.625 238 H3 MAN 101 H3 MAN 101 -7.320 11.660 -7.760 239 H4 MAN 101 H4 MAN 101 -5.420 9.525 -8.821 240 H5 MAN 101 H5 MAN 101 -8.461 9.535 -9.206 241 H61 MAN 101 H61 MAN 101 -8.154 7.108 -9.069 242 H62 MAN 101 H62 MAN 101 -6.415 7.287 -8.780 243 HO2 MAN 101 HO2 MAN 101 -4.468 11.226 -6.021 244 HO3 MAN 101 HO3 MAN 101 -4.467 11.426 -7.923 245 HO4 MAN 101 HO4 MAN 101 -5.689 11.406 -10.099 246 HO6 MAN 101 HO6 MAN 101 -7.760 7.243 -11.093 Start of MODEL 10 1 H1 THR 1 H1 THR 1 -9.529 6.582 -2.730 2 H2 THR 1 H2 THR 1 -8.536 7.899 -2.424 3 H3 THR 1 H3 THR 1 -8.744 6.752 -1.234 4 HA THR 1 HA THR 1 -7.578 5.147 -2.605 5 HB THR 1 HB THR 1 -6.309 6.180 -4.592 6 HG21 THR 1 HG21 THR 1 -8.306 5.821 -6.107 7 HG22 THR 1 HG22 THR 1 -9.323 5.806 -4.668 8 HG23 THR 1 HG23 THR 1 -8.108 4.557 -4.895 9 H GLN 2 H GLN 2 -5.271 4.991 -2.359 10 HA GLN 2 HA GLN 2 -4.293 6.989 -0.511 11 HB2 GLN 2 HB2 GLN 2 -4.041 4.594 0.047 12 HB3 GLN 2 HB3 GLN 2 -3.044 4.372 -1.382 13 HG2 GLN 2 HG2 GLN 2 -1.702 4.532 0.658 14 HG3 GLN 2 HG3 GLN 2 -1.351 5.843 -0.466 15 HE21 GLN 2 HE21 GLN 2 -2.703 4.987 2.575 16 HE22 GLN 2 HE22 GLN 2 -2.881 6.588 3.192 17 H SER 3 H SER 3 -2.401 8.126 -0.792 18 HA SER 3 HA SER 3 -1.945 8.909 -3.528 19 HB2 SER 3 HB2 SER 3 -0.800 10.004 -0.967 20 HB3 SER 3 HB3 SER 3 -0.890 10.817 -2.538 21 HG SER 3 HG SER 3 -3.294 10.030 -2.018 22 H HIS 4 H HIS 4 0.350 9.401 -4.134 23 HA HIS 4 HA HIS 4 1.951 7.073 -4.111 24 HB2 HIS 4 HB2 HIS 4 1.804 8.902 -5.884 25 HB3 HIS 4 HB3 HIS 4 2.810 9.888 -4.838 26 HD1 HIS 4 HD1 HIS 4 4.754 10.017 -6.471 27 HD2 HIS 4 HD2 HIS 4 3.643 6.130 -5.595 28 HE1 HIS 4 HE1 HIS 4 6.512 8.576 -7.518 29 HE2 HIS 4 HE2 HIS 4 5.564 6.302 -7.346 30 H TYR 5 H TYR 5 3.493 6.457 -2.726 31 HA TYR 5 HA TYR 5 4.932 6.329 -1.040 32 HB2 TYR 5 HB2 TYR 5 4.878 9.361 -0.954 33 HB3 TYR 5 HB3 TYR 5 5.905 8.374 0.076 34 HD1 TYR 5 HD1 TYR 5 7.707 6.991 -0.965 35 HD2 TYR 5 HD2 TYR 5 5.483 9.831 -3.205 36 HE1 TYR 5 HE1 TYR 5 9.436 6.962 -2.709 37 HE2 TYR 5 HE2 TYR 5 7.202 9.805 -4.954 38 HH TYR 5 HH TYR 5 9.641 7.430 -5.027 39 H GLY 6 H GLY 6 1.896 6.805 -0.814 40 HA2 GLY 6 HA2 GLY 6 1.803 7.149 2.069 41 HA3 GLY 6 HA3 GLY 6 0.415 7.057 0.980 42 H GLN 7 H GLN 7 0.741 5.507 3.373 43 HA GLN 7 HA GLN 7 1.534 2.862 2.561 44 HB2 GLN 7 HB2 GLN 7 1.745 3.714 4.931 45 HB3 GLN 7 HB3 GLN 7 -0.010 3.706 5.019 46 HG2 GLN 7 HG2 GLN 7 -0.049 1.301 4.723 47 HG3 GLN 7 HG3 GLN 7 1.703 1.277 4.545 48 HE21 GLN 7 HE21 GLN 7 0.086 -0.121 6.526 49 HE22 GLN 7 HE22 GLN 7 0.639 0.452 8.044 50 H CYS 8 H CYS 8 0.317 1.826 1.175 51 HA CYS 8 HA CYS 8 -2.416 2.447 0.717 52 HB2 CYS 8 HB2 CYS 8 -2.257 0.352 -0.770 53 HB3 CYS 8 HB3 CYS 8 -1.282 1.755 -1.192 54 H GLY 9 H GLY 9 -0.946 -0.624 1.739 55 HA2 GLY 9 HA2 GLY 9 -2.657 -0.950 3.880 56 HA3 GLY 9 HA3 GLY 9 -3.465 -1.616 2.467 57 H GLY 10 H GLY 10 -0.925 -1.966 4.720 58 HA2 GLY 10 HA2 GLY 10 -0.296 -4.577 3.589 59 HA3 GLY 10 HA3 GLY 10 0.630 -3.752 4.848 60 H ILE 11 H ILE 11 0.317 -5.857 5.991 61 HA ILE 11 HA ILE 11 -2.211 -6.753 6.813 62 HB ILE 11 HB ILE 11 0.440 -7.009 8.279 63 HG12 ILE 11 HG12 ILE 11 -0.927 -8.943 6.390 64 HG13 ILE 11 HG13 ILE 11 0.440 -7.919 5.963 65 HG21 ILE 11 HG21 ILE 11 -0.582 -8.950 9.399 66 HG22 ILE 11 HG22 ILE 11 -2.110 -8.609 8.590 67 HG23 ILE 11 HG23 ILE 11 -1.459 -7.461 9.758 68 HD11 ILE 11 HD11 ILE 11 1.826 -9.088 7.582 69 HD12 ILE 11 HD12 ILE 11 1.107 -10.226 6.437 70 HD13 ILE 11 HD13 ILE 11 0.447 -10.068 8.064 71 H GLY 12 H GLY 12 -3.658 -5.815 8.093 72 HA2 GLY 12 HA2 GLY 12 -4.349 -4.965 10.185 73 HA3 GLY 12 HA3 GLY 12 -2.727 -4.347 10.438 74 H TYR 13 H TYR 13 -3.353 -3.383 7.402 75 HA TYR 13 HA TYR 13 -4.342 -0.804 8.400 76 HB2 TYR 13 HB2 TYR 13 -2.143 -0.923 7.135 77 HB3 TYR 13 HB3 TYR 13 -3.068 -1.414 5.723 78 HD1 TYR 13 HD1 TYR 13 -2.015 1.343 7.820 79 HD2 TYR 13 HD2 TYR 13 -4.647 0.238 4.675 80 HE1 TYR 13 HE1 TYR 13 -2.356 3.717 7.279 81 HE2 TYR 13 HE2 TYR 13 -4.991 2.606 4.126 82 HH TYR 13 HH TYR 13 -3.056 5.068 5.290 83 H SER 14 H SER 14 -6.357 -0.088 7.773 84 HA SER 14 HA SER 14 -7.701 -1.687 5.722 85 HB2 SER 14 HB2 SER 14 -9.738 -1.505 7.292 86 HB3 SER 14 HB3 SER 14 -8.478 -2.678 7.673 87 HG SER 14 HG SER 14 -9.226 -0.363 8.978 88 H GLY 15 H GLY 15 -6.633 1.214 6.092 89 HA2 GLY 15 HA2 GLY 15 -9.011 2.813 5.623 90 HA3 GLY 15 HA3 GLY 15 -7.353 3.374 5.651 91 HA PRO 16 HA PRO 16 -8.270 3.568 1.222 92 HB2 PRO 16 HB2 PRO 16 -6.197 5.225 0.580 93 HB3 PRO 16 HB3 PRO 16 -7.744 5.806 1.202 94 HG2 PRO 16 HG2 PRO 16 -5.168 5.381 2.654 95 HG3 PRO 16 HG3 PRO 16 -6.338 6.699 2.820 96 HD2 PRO 16 HD2 PRO 16 -6.197 4.618 4.570 97 HD3 PRO 16 HD3 PRO 16 -7.707 5.474 4.211 98 H THR 17 H THR 17 -7.726 1.387 0.928 99 HA THR 17 HA THR 17 -4.971 0.618 0.847 100 HB THR 17 HB THR 17 -5.987 -1.667 0.327 101 HG1 THR 17 HG1 THR 17 -8.316 -1.429 1.271 102 HG21 THR 17 HG21 THR 17 -5.292 -0.939 2.604 103 HG22 THR 17 HG22 THR 17 -6.675 -2.026 2.635 104 HG23 THR 17 HG23 THR 17 -6.911 -0.292 2.858 105 H VAL 18 H VAL 18 -7.273 1.661 -1.438 106 HA VAL 18 HA VAL 18 -5.822 0.415 -3.639 107 HB VAL 18 HB VAL 18 -8.262 2.227 -3.730 108 HG11 VAL 18 HG11 VAL 18 -6.995 2.323 -5.807 109 HG12 VAL 18 HG12 VAL 18 -8.510 1.449 -6.053 110 HG13 VAL 18 HG13 VAL 18 -6.994 0.563 -5.906 111 HG21 VAL 18 HG21 VAL 18 -8.068 -0.775 -3.989 112 HG22 VAL 18 HG22 VAL 18 -9.533 0.179 -4.215 113 HG23 VAL 18 HG23 VAL 18 -8.762 0.109 -2.630 114 H CYS 19 H CYS 19 -4.234 1.428 -4.590 115 HA CYS 19 HA CYS 19 -3.450 4.048 -3.804 116 HB2 CYS 19 HB2 CYS 19 -2.362 2.198 -5.915 117 HB3 CYS 19 HB3 CYS 19 -1.590 3.688 -5.380 118 H ALA 20 H ALA 20 -3.061 5.830 -5.213 119 HA ALA 20 HA ALA 20 -5.180 6.459 -6.946 120 HB1 ALA 20 HB1 ALA 20 -2.468 7.774 -6.740 121 HB2 ALA 20 HB2 ALA 20 -3.855 8.149 -5.724 122 HB3 ALA 20 HB3 ALA 20 -3.917 8.483 -7.457 123 H SER 21 H SER 21 -5.134 6.850 -9.202 124 HA SER 21 HA SER 21 -4.391 4.799 -10.790 125 HB2 SER 21 HB2 SER 21 -4.653 7.683 -11.618 126 HB3 SER 21 HB3 SER 21 -4.991 6.245 -12.587 127 HG SER 21 HG SER 21 -6.669 5.734 -11.219 128 H GLY 22 H GLY 22 -2.476 4.076 -11.383 129 HA2 GLY 22 HA2 GLY 22 -0.534 4.417 -12.752 130 HA3 GLY 22 HA3 GLY 22 -0.363 6.005 -12.018 131 H THR 23 H THR 23 -1.117 4.431 -9.408 132 HA THR 23 HA THR 23 1.660 3.611 -8.954 133 HB THR 23 HB THR 23 1.372 4.265 -6.565 134 HG1 THR 23 HG1 THR 23 -1.205 5.019 -7.498 135 HG21 THR 23 HG21 THR 23 1.392 6.696 -6.910 136 HG22 THR 23 HG22 THR 23 0.743 6.465 -8.534 137 HG23 THR 23 HG23 THR 23 2.351 5.860 -8.133 138 H THR 24 H THR 24 2.088 1.760 -7.689 139 HA THR 24 HA THR 24 -0.239 0.004 -7.420 140 HB THR 24 HB THR 24 1.437 -1.882 -7.587 141 HG1 THR 24 HG1 THR 24 3.215 0.238 -7.700 142 HG21 THR 24 HG21 THR 24 1.257 -0.033 -9.974 143 HG22 THR 24 HG22 THR 24 0.074 -1.259 -9.519 144 HG23 THR 24 HG23 THR 24 1.688 -1.742 -10.039 145 H CYS 25 H CYS 25 -0.342 -1.349 -5.530 146 HA CYS 25 HA CYS 25 0.884 -0.108 -3.241 147 HB2 CYS 25 HB2 CYS 25 -1.480 -0.913 -3.133 148 HB3 CYS 25 HB3 CYS 25 -0.923 -2.556 -3.432 149 H GLN 26 H GLN 26 3.010 -0.519 -3.085 150 HA GLN 26 HA GLN 26 3.926 -3.193 -3.735 151 HB2 GLN 26 HB2 GLN 26 5.541 -0.692 -3.224 152 HB3 GLN 26 HB3 GLN 26 6.199 -2.251 -3.699 153 HG2 GLN 26 HG2 GLN 26 4.759 -2.083 -5.769 154 HG3 GLN 26 HG3 GLN 26 4.443 -0.420 -5.303 155 HE21 GLN 26 HE21 GLN 26 5.431 0.412 -7.107 156 HE22 GLN 26 HE22 GLN 26 7.136 0.366 -7.356 157 H VAL 27 H VAL 27 4.534 -4.573 -2.335 158 HA VAL 27 HA VAL 27 4.194 -3.971 0.461 159 HB VAL 27 HB VAL 27 4.976 -6.581 -0.873 160 HG11 VAL 27 HG11 VAL 27 4.182 -7.638 1.197 161 HG12 VAL 27 HG12 VAL 27 3.885 -6.043 1.887 162 HG13 VAL 27 HG13 VAL 27 5.529 -6.539 1.498 163 HG21 VAL 27 HG21 VAL 27 2.825 -5.809 -1.702 164 HG22 VAL 27 HG22 VAL 27 2.245 -5.602 -0.050 165 HG23 VAL 27 HG23 VAL 27 2.613 -7.214 -0.659 166 H LEU 28 H LEU 28 5.869 -2.802 1.172 167 HA LEU 28 HA LEU 28 8.609 -3.499 0.515 168 HB2 LEU 28 HB2 LEU 28 7.600 -1.528 2.578 169 HB3 LEU 28 HB3 LEU 28 9.234 -1.644 1.968 170 HG LEU 28 HG LEU 28 6.811 -0.688 0.436 171 HD11 LEU 28 HD11 LEU 28 7.683 0.858 2.102 172 HD12 LEU 28 HD12 LEU 28 7.927 1.452 0.458 173 HD13 LEU 28 HD13 LEU 28 9.278 0.763 1.359 174 HD21 LEU 28 HD21 LEU 28 9.683 -0.922 -0.438 175 HD22 LEU 28 HD22 LEU 28 8.387 -0.122 -1.329 176 HD23 LEU 28 HD23 LEU 28 8.320 -1.868 -1.056 177 H ASN 29 H ASN 29 6.405 -3.557 3.233 178 HA ASN 29 HA ASN 29 8.030 -5.566 4.590 179 HB2 ASN 29 HB2 ASN 29 6.641 -3.194 5.927 180 HB3 ASN 29 HB3 ASN 29 7.533 -4.479 6.724 181 HD21 ASN 29 HD21 ASN 29 7.922 -1.526 6.727 182 HD22 ASN 29 HD22 ASN 29 9.532 -1.281 6.205 183 HA PRO 30 HA PRO 30 4.116 -7.670 4.836 184 HB2 PRO 30 HB2 PRO 30 4.312 -7.819 7.805 185 HB3 PRO 30 HB3 PRO 30 4.102 -9.123 6.629 186 HG2 PRO 30 HG2 PRO 30 6.454 -8.759 7.801 187 HG3 PRO 30 HG3 PRO 30 6.365 -9.164 6.078 188 HD2 PRO 30 HD2 PRO 30 6.859 -6.518 7.383 189 HD3 PRO 30 HD3 PRO 30 7.650 -7.223 5.962 190 H TYR 31 H TYR 31 4.437 -5.260 7.463 191 HA TYR 31 HA TYR 31 1.547 -4.828 7.313 192 HB2 TYR 31 HB2 TYR 31 3.593 -3.706 9.265 193 HB3 TYR 31 HB3 TYR 31 1.872 -3.392 9.309 194 HD1 TYR 31 HD1 TYR 31 0.574 -4.658 10.734 195 HD2 TYR 31 HD2 TYR 31 4.228 -6.318 9.342 196 HE1 TYR 31 HE1 TYR 31 0.228 -6.607 12.173 197 HE2 TYR 31 HE2 TYR 31 3.883 -8.286 10.778 198 HH TYR 31 HH TYR 31 2.671 -8.813 12.842 199 H TYR 32 H TYR 32 4.553 -3.352 6.393 200 HA TYR 32 HA TYR 32 3.082 -0.914 5.733 201 HB2 TYR 32 HB2 TYR 32 5.174 -0.618 7.083 202 HB3 TYR 32 HB3 TYR 32 6.093 -1.262 5.729 203 HD1 TYR 32 HD1 TYR 32 4.027 1.564 6.860 204 HD2 TYR 32 HD2 TYR 32 6.605 0.113 3.813 205 HE1 TYR 32 HE1 TYR 32 4.159 3.830 5.908 206 HE2 TYR 32 HE2 TYR 32 6.744 2.380 2.847 207 HH TYR 32 HH TYR 32 5.640 5.144 4.504 208 H SER 33 H SER 33 2.303 -0.854 3.819 209 HA SER 33 HA SER 33 3.925 -1.759 1.566 210 HB2 SER 33 HB2 SER 33 0.898 -1.833 1.859 211 HB3 SER 33 HB3 SER 33 1.798 -2.385 0.451 212 HG SER 33 HG SER 33 2.806 -3.617 2.577 213 H GLN 34 H GLN 34 3.970 -0.209 -0.135 214 HA GLN 34 HA GLN 34 2.773 2.374 0.605 215 HB2 GLN 34 HB2 GLN 34 5.172 2.262 1.192 216 HB3 GLN 34 HB3 GLN 34 5.552 1.895 -0.481 217 HG2 GLN 34 HG2 GLN 34 4.715 4.064 -1.161 218 HG3 GLN 34 HG3 GLN 34 4.292 4.441 0.510 219 HE21 GLN 34 HE21 GLN 34 5.986 4.844 1.993 220 HE22 GLN 34 HE22 GLN 34 7.567 5.221 1.436 221 H CYS 35 H CYS 35 1.916 3.550 -1.038 222 HA CYS 35 HA CYS 35 1.518 2.274 -3.561 223 HB2 CYS 35 HB2 CYS 35 0.805 5.060 -2.645 224 HB3 CYS 35 HB3 CYS 35 0.366 4.382 -4.208 225 H LEU 36 H LEU 36 3.068 2.086 -4.883 226 HA LEU 36 HA LEU 36 4.595 4.415 -5.693 227 HB2 LEU 36 HB2 LEU 36 5.640 1.627 -5.191 228 HB3 LEU 36 HB3 LEU 36 6.531 2.887 -6.013 229 HG LEU 36 HG LEU 36 5.613 3.062 -3.146 230 HD11 LEU 36 HD11 LEU 36 7.948 2.673 -2.583 231 HD12 LEU 36 HD12 LEU 36 8.329 2.409 -4.285 232 HD13 LEU 36 HD13 LEU 36 7.260 1.288 -3.434 233 HD21 LEU 36 HD21 LEU 36 7.483 4.757 -4.795 234 HD22 LEU 36 HD22 LEU 36 7.195 4.941 -3.067 235 HD23 LEU 36 HD23 LEU 36 5.887 5.230 -4.211 236 H1 MAN 101 H1 MAN 101 -6.046 8.091 -6.032 237 H2 MAN 101 H2 MAN 101 -6.681 10.319 -5.056 238 H3 MAN 101 H3 MAN 101 -9.082 10.043 -4.898 239 H4 MAN 101 H4 MAN 101 -8.988 9.987 -7.946 240 H5 MAN 101 H5 MAN 101 -9.729 7.769 -5.991 241 H61 MAN 101 H61 MAN 101 -10.996 7.695 -8.103 242 H62 MAN 101 H62 MAN 101 -9.826 6.359 -7.989 243 HO2 MAN 101 HO2 MAN 101 -6.759 11.340 -7.051 244 HO3 MAN 101 HO3 MAN 101 -9.637 11.991 -6.055 245 HO4 MAN 101 HO4 MAN 101 -11.158 9.719 -6.075 246 HO6 MAN 101 HO6 MAN 101 -8.358 7.905 -9.168 Start of MODEL 11 1 H1 THR 1 H1 THR 1 -8.324 8.237 -2.312 2 H2 THR 1 H2 THR 1 -8.579 7.487 -0.841 3 H3 THR 1 H3 THR 1 -9.513 7.039 -2.195 4 HA THR 1 HA THR 1 -7.798 5.423 -1.760 5 HB THR 1 HB THR 1 -6.584 5.656 -3.973 6 HG21 THR 1 HG21 THR 1 -8.677 5.298 -5.299 7 HG22 THR 1 HG22 THR 1 -9.611 5.978 -4.001 8 HG23 THR 1 HG23 THR 1 -8.755 4.446 -3.751 9 H GLN 2 H GLN 2 -5.333 5.089 -2.052 10 HA GLN 2 HA GLN 2 -4.150 7.009 -0.246 11 HB2 GLN 2 HB2 GLN 2 -4.006 4.567 0.191 12 HB3 GLN 2 HB3 GLN 2 -3.026 4.399 -1.256 13 HG2 GLN 2 HG2 GLN 2 -1.667 4.439 0.777 14 HG3 GLN 2 HG3 GLN 2 -1.299 5.795 -0.287 15 HE21 GLN 2 HE21 GLN 2 -2.735 4.826 2.686 16 HE22 GLN 2 HE22 GLN 2 -2.888 6.397 3.380 17 H SER 3 H SER 3 -2.346 8.129 -0.629 18 HA SER 3 HA SER 3 -1.910 8.883 -3.367 19 HB2 SER 3 HB2 SER 3 -0.689 9.924 -0.804 20 HB3 SER 3 HB3 SER 3 -0.616 10.699 -2.388 21 HG SER 3 HG SER 3 -2.882 10.253 -0.760 22 H HIS 4 H HIS 4 0.314 9.207 -4.115 23 HA HIS 4 HA HIS 4 1.877 6.846 -4.065 24 HB2 HIS 4 HB2 HIS 4 1.733 8.542 -5.936 25 HB3 HIS 4 HB3 HIS 4 2.684 9.631 -4.949 26 HD1 HIS 4 HD1 HIS 4 4.946 9.739 -5.938 27 HD2 HIS 4 HD2 HIS 4 3.401 5.903 -6.082 28 HE1 HIS 4 HE1 HIS 4 6.724 8.345 -7.016 29 HE2 HIS 4 HE2 HIS 4 5.543 6.202 -7.476 30 H TYR 5 H TYR 5 3.535 6.300 -2.771 31 HA TYR 5 HA TYR 5 5.065 6.260 -1.145 32 HB2 TYR 5 HB2 TYR 5 4.832 9.282 -1.001 33 HB3 TYR 5 HB3 TYR 5 5.951 8.332 -0.047 34 HD1 TYR 5 HD1 TYR 5 5.667 10.311 -2.871 35 HD2 TYR 5 HD2 TYR 5 7.444 6.682 -1.568 36 HE1 TYR 5 HE1 TYR 5 7.327 10.489 -4.666 37 HE2 TYR 5 HE2 TYR 5 9.116 6.855 -3.365 38 HH TYR 5 HH TYR 5 9.659 9.645 -5.082 39 H GLY 6 H GLY 6 1.990 6.597 -0.772 40 HA2 GLY 6 HA2 GLY 6 2.063 6.902 2.140 41 HA3 GLY 6 HA3 GLY 6 0.617 6.947 1.134 42 H GLN 7 H GLN 7 0.760 5.317 3.372 43 HA GLN 7 HA GLN 7 1.482 2.640 2.578 44 HB2 GLN 7 HB2 GLN 7 1.675 3.553 4.954 45 HB3 GLN 7 HB3 GLN 7 -0.083 3.507 5.000 46 HG2 GLN 7 HG2 GLN 7 -0.079 1.103 4.752 47 HG3 GLN 7 HG3 GLN 7 1.676 1.098 4.591 48 HE21 GLN 7 HE21 GLN 7 0.084 -0.282 6.607 49 HE22 GLN 7 HE22 GLN 7 0.579 0.380 8.117 50 H CYS 8 H CYS 8 0.224 1.649 1.189 51 HA CYS 8 HA CYS 8 -2.458 2.397 0.656 52 HB2 CYS 8 HB2 CYS 8 -2.314 0.271 -0.806 53 HB3 CYS 8 HB3 CYS 8 -1.292 1.654 -1.203 54 H GLY 9 H GLY 9 -1.196 -0.750 1.665 55 HA2 GLY 9 HA2 GLY 9 -3.139 -1.100 3.665 56 HA3 GLY 9 HA3 GLY 9 -3.723 -1.789 2.155 57 H GLY 10 H GLY 10 -1.183 -1.895 4.514 58 HA2 GLY 10 HA2 GLY 10 -0.458 -4.557 3.592 59 HA3 GLY 10 HA3 GLY 10 0.397 -3.620 4.823 60 H ILE 11 H ILE 11 0.130 -5.766 5.982 61 HA ILE 11 HA ILE 11 -2.384 -6.681 6.848 62 HB ILE 11 HB ILE 11 0.262 -6.898 8.329 63 HG12 ILE 11 HG12 ILE 11 -0.962 -8.825 6.335 64 HG13 ILE 11 HG13 ILE 11 0.357 -7.715 5.979 65 HG21 ILE 11 HG21 ILE 11 -2.244 -8.586 8.489 66 HG22 ILE 11 HG22 ILE 11 -1.661 -7.469 9.723 67 HG23 ILE 11 HG23 ILE 11 -0.732 -8.920 9.338 68 HD11 ILE 11 HD11 ILE 11 1.750 -8.856 7.623 69 HD12 ILE 11 HD12 ILE 11 1.179 -9.952 6.368 70 HD13 ILE 11 HD13 ILE 11 0.425 -9.968 7.967 71 H GLY 12 H GLY 12 -3.800 -5.764 8.244 72 HA2 GLY 12 HA2 GLY 12 -4.373 -4.764 10.302 73 HA3 GLY 12 HA3 GLY 12 -2.760 -4.080 10.387 74 H TYR 13 H TYR 13 -3.215 -3.244 7.438 75 HA TYR 13 HA TYR 13 -4.525 -0.759 8.246 76 HB2 TYR 13 HB2 TYR 13 -2.143 -0.688 7.363 77 HB3 TYR 13 HB3 TYR 13 -2.780 -1.195 5.805 78 HD1 TYR 13 HD1 TYR 13 -4.398 0.354 4.605 79 HD2 TYR 13 HD2 TYR 13 -2.215 1.576 8.040 80 HE1 TYR 13 HE1 TYR 13 -4.830 2.683 4.030 81 HE2 TYR 13 HE2 TYR 13 -2.641 3.931 7.480 82 HH TYR 13 HH TYR 13 -3.172 5.262 5.497 83 H SER 14 H SER 14 -6.555 -0.552 7.625 84 HA SER 14 HA SER 14 -7.430 -1.782 5.108 85 HB2 SER 14 HB2 SER 14 -9.623 -2.126 6.297 86 HB3 SER 14 HB3 SER 14 -8.295 -3.130 6.884 87 HG SER 14 HG SER 14 -9.369 -0.776 8.046 88 H GLY 15 H GLY 15 -6.544 0.982 5.925 89 HA2 GLY 15 HA2 GLY 15 -8.855 2.686 5.730 90 HA3 GLY 15 HA3 GLY 15 -7.175 3.176 5.602 91 HA PRO 16 HA PRO 16 -8.540 3.514 1.283 92 HB2 PRO 16 HB2 PRO 16 -6.614 5.277 0.506 93 HB3 PRO 16 HB3 PRO 16 -8.104 5.789 1.306 94 HG2 PRO 16 HG2 PRO 16 -5.372 5.400 2.453 95 HG3 PRO 16 HG3 PRO 16 -6.558 6.676 2.787 96 HD2 PRO 16 HD2 PRO 16 -6.164 4.527 4.438 97 HD3 PRO 16 HD3 PRO 16 -7.712 5.382 4.295 98 H THR 17 H THR 17 -7.910 1.351 0.936 99 HA THR 17 HA THR 17 -5.166 0.609 0.842 100 HB THR 17 HB THR 17 -6.187 -1.618 0.207 101 HG1 THR 17 HG1 THR 17 -8.566 -1.528 0.812 102 HG21 THR 17 HG21 THR 17 -7.041 -2.005 2.485 103 HG22 THR 17 HG22 THR 17 -7.194 -0.263 2.720 104 HG23 THR 17 HG23 THR 17 -5.602 -0.980 2.540 105 H VAL 18 H VAL 18 -7.509 1.589 -1.463 106 HA VAL 18 HA VAL 18 -5.922 0.573 -3.675 107 HB VAL 18 HB VAL 18 -8.443 2.288 -3.705 108 HG11 VAL 18 HG11 VAL 18 -8.597 1.722 -6.092 109 HG12 VAL 18 HG12 VAL 18 -7.058 0.868 -5.991 110 HG13 VAL 18 HG13 VAL 18 -7.115 2.614 -5.747 111 HG21 VAL 18 HG21 VAL 18 -9.574 0.221 -4.404 112 HG22 VAL 18 HG22 VAL 18 -8.838 0.064 -2.807 113 HG23 VAL 18 HG23 VAL 18 -8.061 -0.663 -4.211 114 H CYS 19 H CYS 19 -4.606 1.808 -4.943 115 HA CYS 19 HA CYS 19 -3.701 4.246 -3.673 116 HB2 CYS 19 HB2 CYS 19 -2.502 2.564 -5.879 117 HB3 CYS 19 HB3 CYS 19 -1.750 3.971 -5.145 118 H ALA 20 H ALA 20 -2.567 5.692 -5.536 119 HA ALA 20 HA ALA 20 -4.676 6.979 -6.945 120 HB1 ALA 20 HB1 ALA 20 -1.688 7.432 -6.976 121 HB2 ALA 20 HB2 ALA 20 -2.840 8.224 -5.900 122 HB3 ALA 20 HB3 ALA 20 -2.904 8.524 -7.640 123 H SER 21 H SER 21 -4.515 7.446 -9.236 124 HA SER 21 HA SER 21 -4.313 5.116 -10.808 125 HB2 SER 21 HB2 SER 21 -5.805 7.028 -11.360 126 HB3 SER 21 HB3 SER 21 -4.387 8.012 -11.729 127 HG SER 21 HG SER 21 -5.439 7.061 -13.548 128 H GLY 22 H GLY 22 -2.526 4.143 -11.424 129 HA2 GLY 22 HA2 GLY 22 -0.570 4.121 -12.791 130 HA3 GLY 22 HA3 GLY 22 -0.235 5.763 -12.266 131 H THR 23 H THR 23 -1.181 4.346 -9.519 132 HA THR 23 HA THR 23 1.576 3.542 -8.909 133 HB THR 23 HB THR 23 1.218 4.312 -6.586 134 HG1 THR 23 HG1 THR 23 -1.369 4.695 -7.551 135 HG21 THR 23 HG21 THR 23 1.133 6.714 -7.000 136 HG22 THR 23 HG22 THR 23 0.536 6.413 -8.634 137 HG23 THR 23 HG23 THR 23 2.159 5.889 -8.173 138 H THR 24 H THR 24 1.916 1.695 -7.703 139 HA THR 24 HA THR 24 -0.484 0.074 -7.310 140 HB THR 24 HB THR 24 1.064 -1.901 -7.537 141 HG1 THR 24 HG1 THR 24 2.923 0.123 -7.846 142 HG21 THR 24 HG21 THR 24 1.162 -1.800 -10.012 143 HG22 THR 24 HG22 THR 24 0.768 -0.079 -9.923 144 HG23 THR 24 HG23 THR 24 -0.393 -1.276 -9.363 145 H CYS 25 H CYS 25 -0.500 -1.307 -5.492 146 HA CYS 25 HA CYS 25 0.832 -0.154 -3.209 147 HB2 CYS 25 HB2 CYS 25 -1.540 -0.837 -3.044 148 HB3 CYS 25 HB3 CYS 25 -1.079 -2.487 -3.447 149 H GLN 26 H GLN 26 2.948 -0.660 -3.119 150 HA GLN 26 HA GLN 26 3.741 -3.403 -3.722 151 HB2 GLN 26 HB2 GLN 26 5.445 -0.926 -3.423 152 HB3 GLN 26 HB3 GLN 26 6.029 -2.526 -3.865 153 HG2 GLN 26 HG2 GLN 26 4.566 -2.427 -5.883 154 HG3 GLN 26 HG3 GLN 26 4.182 -0.766 -5.452 155 HE21 GLN 26 HE21 GLN 26 5.046 0.047 -7.309 156 HE22 GLN 26 HE22 GLN 26 6.733 0.085 -7.644 157 H VAL 27 H VAL 27 4.708 -4.666 -2.299 158 HA VAL 27 HA VAL 27 4.352 -4.030 0.495 159 HB VAL 27 HB VAL 27 5.485 -6.539 -0.779 160 HG11 VAL 27 HG11 VAL 27 4.880 -7.633 1.332 161 HG12 VAL 27 HG12 VAL 27 4.369 -6.075 1.983 162 HG13 VAL 27 HG13 VAL 27 6.061 -6.344 1.568 163 HG21 VAL 27 HG21 VAL 27 2.646 -5.953 0.049 164 HG22 VAL 27 HG22 VAL 27 3.246 -7.521 -0.490 165 HG23 VAL 27 HG23 VAL 27 3.231 -6.151 -1.602 166 H LEU 28 H LEU 28 5.904 -2.999 1.545 167 HA LEU 28 HA LEU 28 8.685 -3.280 0.641 168 HB2 LEU 28 HB2 LEU 28 7.393 -1.245 2.452 169 HB3 LEU 28 HB3 LEU 28 9.099 -1.276 2.063 170 HG LEU 28 HG LEU 28 6.867 -0.807 0.071 171 HD11 LEU 28 HD11 LEU 28 7.717 1.479 0.015 172 HD12 LEU 28 HD12 LEU 28 8.857 1.081 1.304 173 HD13 LEU 28 HD13 LEU 28 7.114 1.026 1.608 174 HD21 LEU 28 HD21 LEU 28 8.817 -1.864 -0.936 175 HD22 LEU 28 HD22 LEU 28 9.846 -0.622 -0.201 176 HD23 LEU 28 HD23 LEU 28 8.665 -0.171 -1.431 177 H ASN 29 H ASN 29 6.568 -3.476 3.418 178 HA ASN 29 HA ASN 29 8.452 -5.215 4.800 179 HB2 ASN 29 HB2 ASN 29 6.876 -2.932 6.080 180 HB3 ASN 29 HB3 ASN 29 7.850 -4.101 6.939 181 HD21 ASN 29 HD21 ASN 29 8.021 -1.172 6.903 182 HD22 ASN 29 HD22 ASN 29 9.625 -0.818 6.378 183 HA PRO 30 HA PRO 30 4.856 -7.793 5.382 184 HB2 PRO 30 HB2 PRO 30 4.957 -7.358 8.331 185 HB3 PRO 30 HB3 PRO 30 4.861 -8.870 7.424 186 HG2 PRO 30 HG2 PRO 30 7.164 -8.134 8.493 187 HG3 PRO 30 HG3 PRO 30 7.123 -8.832 6.865 188 HD2 PRO 30 HD2 PRO 30 7.448 -5.989 7.705 189 HD3 PRO 30 HD3 PRO 30 8.240 -6.862 6.373 190 H TYR 31 H TYR 31 4.677 -4.974 7.605 191 HA TYR 31 HA TYR 31 1.767 -4.953 7.187 192 HB2 TYR 31 HB2 TYR 31 3.381 -3.357 9.194 193 HB3 TYR 31 HB3 TYR 31 1.636 -3.470 9.105 194 HD1 TYR 31 HD1 TYR 31 0.476 -5.433 9.924 195 HD2 TYR 31 HD2 TYR 31 4.703 -5.190 10.094 196 HE1 TYR 31 HE1 TYR 31 0.513 -7.323 11.480 197 HE2 TYR 31 HE2 TYR 31 4.758 -7.076 11.657 198 HH TYR 31 HH TYR 31 2.022 -9.028 12.244 199 H TYR 32 H TYR 32 4.667 -3.226 6.472 200 HA TYR 32 HA TYR 32 3.121 -0.893 5.688 201 HB2 TYR 32 HB2 TYR 32 5.188 -0.554 7.036 202 HB3 TYR 32 HB3 TYR 32 6.129 -1.210 5.702 203 HD1 TYR 32 HD1 TYR 32 3.899 1.582 6.663 204 HD2 TYR 32 HD2 TYR 32 6.831 0.184 3.909 205 HE1 TYR 32 HE1 TYR 32 4.088 3.840 5.718 206 HE2 TYR 32 HE2 TYR 32 7.020 2.437 2.959 207 HH TYR 32 HH TYR 32 5.758 5.160 4.495 208 H SER 33 H SER 33 2.357 -0.859 3.800 209 HA SER 33 HA SER 33 3.940 -1.799 1.543 210 HB2 SER 33 HB2 SER 33 0.927 -1.884 1.910 211 HB3 SER 33 HB3 SER 33 1.804 -2.475 0.500 212 HG SER 33 HG SER 33 2.851 -3.596 2.677 213 H GLN 34 H GLN 34 3.847 -0.310 -0.225 214 HA GLN 34 HA GLN 34 2.694 2.286 0.520 215 HB2 GLN 34 HB2 GLN 34 5.084 2.173 1.093 216 HB3 GLN 34 HB3 GLN 34 5.453 1.774 -0.574 217 HG2 GLN 34 HG2 GLN 34 4.644 3.918 -1.290 218 HG3 GLN 34 HG3 GLN 34 4.214 4.343 0.371 219 HE21 GLN 34 HE21 GLN 34 5.926 4.715 1.877 220 HE22 GLN 34 HE22 GLN 34 7.501 5.071 1.313 221 H CYS 35 H CYS 35 1.903 3.480 -1.137 222 HA CYS 35 HA CYS 35 1.426 2.183 -3.640 223 HB2 CYS 35 HB2 CYS 35 0.818 4.999 -2.751 224 HB3 CYS 35 HB3 CYS 35 0.268 4.285 -4.261 225 H LEU 36 H LEU 36 2.951 1.985 -5.014 226 HA LEU 36 HA LEU 36 4.551 4.283 -5.796 227 HB2 LEU 36 HB2 LEU 36 5.490 1.441 -5.381 228 HB3 LEU 36 HB3 LEU 36 6.431 2.690 -6.175 229 HG LEU 36 HG LEU 36 5.508 2.862 -3.307 230 HD11 LEU 36 HD11 LEU 36 8.211 2.072 -4.400 231 HD12 LEU 36 HD12 LEU 36 7.059 0.995 -3.602 232 HD13 LEU 36 HD13 LEU 36 7.791 2.321 -2.702 233 HD21 LEU 36 HD21 LEU 36 5.931 5.017 -4.380 234 HD22 LEU 36 HD22 LEU 36 7.525 4.456 -4.889 235 HD23 LEU 36 HD23 LEU 36 7.164 4.654 -3.177 236 H1 MAN 101 H1 MAN 101 -6.779 6.673 -6.105 237 H2 MAN 101 H2 MAN 101 -7.513 9.628 -6.088 238 H3 MAN 101 H3 MAN 101 -7.567 9.531 -8.267 239 H4 MAN 101 H4 MAN 101 -6.855 6.549 -8.115 240 H5 MAN 101 H5 MAN 101 -9.659 7.880 -7.948 241 H61 MAN 101 H61 MAN 101 -8.700 5.015 -7.727 242 H62 MAN 101 H62 MAN 101 -9.829 5.660 -8.939 243 HO2 MAN 101 HO2 MAN 101 -5.584 9.127 -5.036 244 HO3 MAN 101 HO3 MAN 101 -5.250 9.556 -8.018 245 HO4 MAN 101 HO4 MAN 101 -6.812 7.555 -10.108 246 HO6 MAN 101 HO6 MAN 101 -10.355 6.029 -6.192 Start of MODEL 12 1 H1 THR 1 H1 THR 1 -8.376 8.108 -1.804 2 H2 THR 1 H2 THR 1 -8.642 6.660 -0.996 3 H3 THR 1 H3 THR 1 -9.378 6.934 -2.493 4 HA THR 1 HA THR 1 -7.489 5.477 -2.726 5 HB THR 1 HB THR 1 -6.111 6.861 -4.285 6 HG21 THR 1 HG21 THR 1 -8.225 5.765 -5.014 7 HG22 THR 1 HG22 THR 1 -7.958 7.270 -5.884 8 HG23 THR 1 HG23 THR 1 -9.119 7.219 -4.562 9 H GLN 2 H GLN 2 -5.188 5.264 -2.552 10 HA GLN 2 HA GLN 2 -4.132 6.770 -0.306 11 HB2 GLN 2 HB2 GLN 2 -4.047 4.251 -0.298 12 HB3 GLN 2 HB3 GLN 2 -2.951 4.347 -1.672 13 HG2 GLN 2 HG2 GLN 2 -1.632 4.070 0.291 14 HG3 GLN 2 HG3 GLN 2 -1.425 5.719 -0.289 15 HE21 GLN 2 HE21 GLN 2 -4.203 4.494 1.499 16 HE22 GLN 2 HE22 GLN 2 -3.938 5.442 2.909 17 H SER 3 H SER 3 -2.498 8.189 -0.625 18 HA SER 3 HA SER 3 -1.926 9.075 -3.249 19 HB2 SER 3 HB2 SER 3 -0.690 9.823 -0.603 20 HB3 SER 3 HB3 SER 3 -0.627 10.776 -2.083 21 HG SER 3 HG SER 3 -2.799 11.132 -1.956 22 H HIS 4 H HIS 4 0.386 9.504 -3.903 23 HA HIS 4 HA HIS 4 1.790 7.043 -4.133 24 HB2 HIS 4 HB2 HIS 4 1.731 8.863 -5.881 25 HB3 HIS 4 HB3 HIS 4 2.731 9.841 -4.823 26 HD1 HIS 4 HD1 HIS 4 4.781 9.951 -6.301 27 HD2 HIS 4 HD2 HIS 4 3.535 6.063 -5.619 28 HE1 HIS 4 HE1 HIS 4 6.542 8.482 -7.324 29 HE2 HIS 4 HE2 HIS 4 5.450 6.248 -7.302 30 H TYR 5 H TYR 5 3.406 6.279 -2.945 31 HA TYR 5 HA TYR 5 4.936 5.995 -1.389 32 HB2 TYR 5 HB2 TYR 5 5.007 9.016 -1.063 33 HB3 TYR 5 HB3 TYR 5 6.064 7.913 -0.199 34 HD1 TYR 5 HD1 TYR 5 7.279 6.160 -1.885 35 HD2 TYR 5 HD2 TYR 5 5.926 10.064 -2.897 36 HE1 TYR 5 HE1 TYR 5 8.873 6.221 -3.747 37 HE2 TYR 5 HE2 TYR 5 7.522 10.132 -4.766 38 HH TYR 5 HH TYR 5 9.658 9.042 -5.410 39 H GLY 6 H GLY 6 1.950 6.520 -0.932 40 HA2 GLY 6 HA2 GLY 6 2.018 6.763 1.967 41 HA3 GLY 6 HA3 GLY 6 0.577 6.764 0.957 42 H GLN 7 H GLN 7 0.712 5.228 3.208 43 HA GLN 7 HA GLN 7 1.443 2.509 2.537 44 HB2 GLN 7 HB2 GLN 7 1.798 3.338 4.838 45 HB3 GLN 7 HB3 GLN 7 0.077 3.652 4.980 46 HG2 GLN 7 HG2 GLN 7 -0.385 1.252 4.811 47 HG3 GLN 7 HG3 GLN 7 1.344 0.931 4.679 48 HE21 GLN 7 HE21 GLN 7 1.302 -0.367 6.647 49 HE22 GLN 7 HE22 GLN 7 1.144 0.424 8.151 50 H CYS 8 H CYS 8 0.144 1.616 1.077 51 HA CYS 8 HA CYS 8 -2.593 2.255 0.755 52 HB2 CYS 8 HB2 CYS 8 -2.559 0.226 -0.804 53 HB3 CYS 8 HB3 CYS 8 -1.510 1.575 -1.205 54 H GLY 9 H GLY 9 -1.086 -0.760 1.893 55 HA2 GLY 9 HA2 GLY 9 -2.978 -1.091 3.934 56 HA3 GLY 9 HA3 GLY 9 -3.520 -1.968 2.517 57 H GLY 10 H GLY 10 -1.078 -1.722 4.945 58 HA2 GLY 10 HA2 GLY 10 -0.033 -4.339 4.151 59 HA3 GLY 10 HA3 GLY 10 0.719 -3.246 5.314 60 H ILE 11 H ILE 11 0.645 -5.406 6.591 61 HA ILE 11 HA ILE 11 -1.851 -6.295 7.532 62 HB ILE 11 HB ILE 11 0.881 -6.554 8.841 63 HG12 ILE 11 HG12 ILE 11 -0.725 -8.503 7.169 64 HG13 ILE 11 HG13 ILE 11 0.663 -7.585 6.605 65 HG21 ILE 11 HG21 ILE 11 -1.690 -8.028 9.461 66 HG22 ILE 11 HG22 ILE 11 -0.905 -6.843 10.503 67 HG23 ILE 11 HG23 ILE 11 -0.111 -8.383 10.162 68 HD11 ILE 11 HD11 ILE 11 0.685 -9.670 8.772 69 HD12 ILE 11 HD12 ILE 11 2.085 -8.762 8.196 70 HD13 ILE 11 HD13 ILE 11 1.243 -9.874 7.113 71 H GLY 12 H GLY 12 -3.250 -5.340 8.749 72 HA2 GLY 12 HA2 GLY 12 -3.896 -4.324 10.801 73 HA3 GLY 12 HA3 GLY 12 -2.361 -3.471 10.825 74 H TYR 13 H TYR 13 -2.951 -3.065 7.786 75 HA TYR 13 HA TYR 13 -4.560 -0.658 8.238 76 HB2 TYR 13 HB2 TYR 13 -2.101 -0.477 7.486 77 HB3 TYR 13 HB3 TYR 13 -2.649 -1.114 5.946 78 HD1 TYR 13 HD1 TYR 13 -2.099 1.781 7.863 79 HD2 TYR 13 HD2 TYR 13 -4.608 0.264 4.790 80 HE1 TYR 13 HE1 TYR 13 -2.660 4.068 7.211 81 HE2 TYR 13 HE2 TYR 13 -5.181 2.556 4.119 82 HH TYR 13 HH TYR 13 -5.237 4.841 5.323 83 H SER 14 H SER 14 -6.534 -0.744 7.344 84 HA SER 14 HA SER 14 -6.878 -2.200 4.852 85 HB2 SER 14 HB2 SER 14 -9.133 -3.006 5.903 86 HB3 SER 14 HB3 SER 14 -7.637 -3.863 6.281 87 HG SER 14 HG SER 14 -8.307 -3.532 8.204 88 H GLY 15 H GLY 15 -6.899 0.687 5.941 89 HA2 GLY 15 HA2 GLY 15 -9.526 1.670 5.317 90 HA3 GLY 15 HA3 GLY 15 -8.091 2.629 5.602 91 HA PRO 16 HA PRO 16 -8.683 3.466 1.178 92 HB2 PRO 16 HB2 PRO 16 -6.566 5.257 1.024 93 HB3 PRO 16 HB3 PRO 16 -8.218 5.694 1.459 94 HG2 PRO 16 HG2 PRO 16 -5.864 5.215 3.211 95 HG3 PRO 16 HG3 PRO 16 -7.178 6.390 3.388 96 HD2 PRO 16 HD2 PRO 16 -7.044 4.103 4.842 97 HD3 PRO 16 HD3 PRO 16 -8.581 4.854 4.377 98 H THR 17 H THR 17 -8.061 1.514 0.382 99 HA THR 17 HA THR 17 -5.265 0.748 0.413 100 HB THR 17 HB THR 17 -6.509 -1.437 -0.443 101 HG1 THR 17 HG1 THR 17 -8.465 -0.228 1.187 102 HG21 THR 17 HG21 THR 17 -6.621 -0.441 2.416 103 HG22 THR 17 HG22 THR 17 -5.245 -1.243 1.662 104 HG23 THR 17 HG23 THR 17 -6.750 -2.128 1.914 105 H VAL 18 H VAL 18 -7.508 2.111 -1.715 106 HA VAL 18 HA VAL 18 -6.395 0.869 -4.091 107 HB VAL 18 HB VAL 18 -8.479 3.072 -3.889 108 HG11 VAL 18 HG11 VAL 18 -7.344 3.089 -6.040 109 HG12 VAL 18 HG12 VAL 18 -9.004 2.528 -6.225 110 HG13 VAL 18 HG13 VAL 18 -7.672 1.369 -6.243 111 HG21 VAL 18 HG21 VAL 18 -9.274 1.002 -2.877 112 HG22 VAL 18 HG22 VAL 18 -8.833 0.109 -4.329 113 HG23 VAL 18 HG23 VAL 18 -10.122 1.311 -4.393 114 H CYS 19 H CYS 19 -4.550 1.613 -4.813 115 HA CYS 19 HA CYS 19 -3.460 4.098 -4.022 116 HB2 CYS 19 HB2 CYS 19 -2.573 2.085 -6.072 117 HB3 CYS 19 HB3 CYS 19 -1.621 3.474 -5.561 118 H ALA 20 H ALA 20 -3.071 5.905 -5.186 119 HA ALA 20 HA ALA 20 -4.975 6.840 -6.973 120 HB1 ALA 20 HB1 ALA 20 -3.590 8.304 -5.598 121 HB2 ALA 20 HB2 ALA 20 -3.422 8.748 -7.302 122 HB3 ALA 20 HB3 ALA 20 -2.162 7.819 -6.504 123 H SER 21 H SER 21 -4.789 7.430 -9.226 124 HA SER 21 HA SER 21 -4.151 5.550 -11.019 125 HB2 SER 21 HB2 SER 21 -4.005 8.516 -11.457 126 HB3 SER 21 HB3 SER 21 -4.471 7.262 -12.610 127 HG SER 21 HG SER 21 -6.370 7.270 -11.842 128 H GLY 22 H GLY 22 -2.236 4.648 -11.500 129 HA2 GLY 22 HA2 GLY 22 -0.167 4.907 -12.703 130 HA3 GLY 22 HA3 GLY 22 0.075 6.424 -11.857 131 H THR 23 H THR 23 -0.928 4.916 -9.376 132 HA THR 23 HA THR 23 1.760 3.931 -8.748 133 HB THR 23 HB THR 23 1.312 4.449 -6.400 134 HG1 THR 23 HG1 THR 23 -1.289 5.042 -7.389 135 HG21 THR 23 HG21 THR 23 1.013 6.873 -6.546 136 HG22 THR 23 HG22 THR 23 0.461 6.696 -8.215 137 HG23 THR 23 HG23 THR 23 2.116 6.266 -7.778 138 H THR 24 H THR 24 2.073 1.998 -7.687 139 HA THR 24 HA THR 24 -0.239 0.203 -7.662 140 HB THR 24 HB THR 24 1.485 -1.635 -8.011 141 HG1 THR 24 HG1 THR 24 3.162 0.631 -8.190 142 HG21 THR 24 HG21 THR 24 1.171 0.425 -10.200 143 HG22 THR 24 HG22 THR 24 0.022 -0.856 -9.820 144 HG23 THR 24 HG23 THR 24 1.619 -1.260 -10.442 145 H CYS 25 H CYS 25 -0.621 -0.962 -5.835 146 HA CYS 25 HA CYS 25 0.740 -0.209 -3.428 147 HB2 CYS 25 HB2 CYS 25 -1.678 -0.660 -3.401 148 HB3 CYS 25 HB3 CYS 25 -1.393 -2.320 -3.901 149 H GLN 26 H GLN 26 2.674 -0.974 -2.973 150 HA GLN 26 HA GLN 26 3.241 -3.786 -3.596 151 HB2 GLN 26 HB2 GLN 26 5.180 -1.477 -3.428 152 HB3 GLN 26 HB3 GLN 26 5.584 -3.153 -3.771 153 HG2 GLN 26 HG2 GLN 26 4.233 -3.040 -5.807 154 HG3 GLN 26 HG3 GLN 26 3.902 -1.342 -5.477 155 HE21 GLN 26 HE21 GLN 26 4.853 -0.659 -7.335 156 HE22 GLN 26 HE22 GLN 26 6.556 -0.689 -7.590 157 H VAL 27 H VAL 27 4.075 -5.015 -2.023 158 HA VAL 27 HA VAL 27 3.871 -4.025 0.695 159 HB VAL 27 HB VAL 27 4.573 -6.807 -0.318 160 HG11 VAL 27 HG11 VAL 27 3.727 -5.910 2.436 161 HG12 VAL 27 HG12 VAL 27 5.344 -6.429 1.961 162 HG13 VAL 27 HG13 VAL 27 4.006 -7.579 1.932 163 HG21 VAL 27 HG21 VAL 27 2.340 -6.168 -1.025 164 HG22 VAL 27 HG22 VAL 27 1.918 -5.725 0.628 165 HG23 VAL 27 HG23 VAL 27 2.254 -7.407 0.226 166 H LEU 28 H LEU 28 5.588 -2.951 1.430 167 HA LEU 28 HA LEU 28 8.268 -3.553 0.439 168 HB2 LEU 28 HB2 LEU 28 7.328 -1.440 2.375 169 HB3 LEU 28 HB3 LEU 28 8.949 -1.579 1.734 170 HG LEU 28 HG LEU 28 6.472 -0.919 0.133 171 HD11 LEU 28 HD11 LEU 28 7.136 0.884 1.556 172 HD12 LEU 28 HD12 LEU 28 7.577 1.267 -0.112 173 HD13 LEU 28 HD13 LEU 28 8.811 0.741 1.034 174 HD21 LEU 28 HD21 LEU 28 8.135 -2.169 -1.168 175 HD22 LEU 28 HD22 LEU 28 9.351 -0.983 -0.650 176 HD23 LEU 28 HD23 LEU 28 8.007 -0.475 -1.675 177 H ASN 29 H ASN 29 6.440 -3.455 3.407 178 HA ASN 29 HA ASN 29 8.288 -5.349 4.683 179 HB2 ASN 29 HB2 ASN 29 6.856 -3.049 6.117 180 HB3 ASN 29 HB3 ASN 29 7.940 -4.229 6.823 181 HD21 ASN 29 HD21 ASN 29 8.037 -1.294 6.865 182 HD22 ASN 29 HD22 ASN 29 9.561 -0.852 6.202 183 HA PRO 30 HA PRO 30 4.503 -7.627 5.290 184 HB2 PRO 30 HB2 PRO 30 4.838 -7.528 8.253 185 HB3 PRO 30 HB3 PRO 30 4.601 -8.928 7.202 186 HG2 PRO 30 HG2 PRO 30 6.997 -8.435 8.207 187 HG3 PRO 30 HG3 PRO 30 6.832 -8.963 6.522 188 HD2 PRO 30 HD2 PRO 30 7.339 -6.224 7.606 189 HD3 PRO 30 HD3 PRO 30 8.056 -7.008 6.183 190 H TYR 31 H TYR 31 4.896 -5.009 7.625 191 HA TYR 31 HA TYR 31 2.000 -4.649 7.744 192 HB2 TYR 31 HB2 TYR 31 4.180 -3.202 9.261 193 HB3 TYR 31 HB3 TYR 31 2.452 -3.099 9.568 194 HD1 TYR 31 HD1 TYR 31 1.287 -4.896 10.721 195 HD2 TYR 31 HD2 TYR 31 5.444 -5.188 9.901 196 HE1 TYR 31 HE1 TYR 31 1.463 -6.790 12.282 197 HE2 TYR 31 HE2 TYR 31 5.634 -7.072 11.447 198 HH TYR 31 HH TYR 31 2.966 -8.725 12.589 199 H TYR 32 H TYR 32 4.814 -3.273 6.281 200 HA TYR 32 HA TYR 32 3.281 -0.860 5.686 201 HB2 TYR 32 HB2 TYR 32 5.434 -0.496 6.806 202 HB3 TYR 32 HB3 TYR 32 6.259 -1.267 5.456 203 HD1 TYR 32 HD1 TYR 32 3.747 1.432 5.986 204 HD2 TYR 32 HD2 TYR 32 7.265 0.171 3.937 205 HE1 TYR 32 HE1 TYR 32 3.905 3.623 4.905 206 HE2 TYR 32 HE2 TYR 32 7.419 2.354 2.862 207 HH TYR 32 HH TYR 32 6.244 4.245 2.408 208 H SER 33 H SER 33 2.277 -0.925 3.859 209 HA SER 33 HA SER 33 3.657 -1.970 1.508 210 HB2 SER 33 HB2 SER 33 0.672 -1.879 2.078 211 HB3 SER 33 HB3 SER 33 1.429 -2.582 0.649 212 HG SER 33 HG SER 33 1.287 -4.322 1.859 213 H GLN 34 H GLN 34 3.662 -0.532 -0.222 214 HA GLN 34 HA GLN 34 2.559 2.120 0.368 215 HB2 GLN 34 HB2 GLN 34 4.798 2.294 1.044 216 HB3 GLN 34 HB3 GLN 34 5.372 1.375 -0.328 217 HG2 GLN 34 HG2 GLN 34 4.971 3.205 -1.805 218 HG3 GLN 34 HG3 GLN 34 4.175 4.131 -0.519 219 HE21 GLN 34 HE21 GLN 34 5.448 5.155 0.996 220 HE22 GLN 34 HE22 GLN 34 7.163 5.249 0.855 221 H CYS 35 H CYS 35 1.813 3.268 -1.284 222 HA CYS 35 HA CYS 35 1.438 1.981 -3.823 223 HB2 CYS 35 HB2 CYS 35 0.735 4.781 -2.928 224 HB3 CYS 35 HB3 CYS 35 0.236 4.045 -4.444 225 H LEU 36 H LEU 36 3.148 1.809 -4.992 226 HA LEU 36 HA LEU 36 4.839 4.136 -5.482 227 HB2 LEU 36 HB2 LEU 36 5.358 1.179 -5.775 228 HB3 LEU 36 HB3 LEU 36 6.430 2.405 -6.421 229 HG LEU 36 HG LEU 36 5.748 2.130 -3.491 230 HD11 LEU 36 HD11 LEU 36 6.999 0.187 -4.289 231 HD12 LEU 36 HD12 LEU 36 7.958 1.213 -3.223 232 HD13 LEU 36 HD13 LEU 36 8.230 1.263 -4.970 233 HD21 LEU 36 HD21 LEU 36 7.671 3.622 -3.204 234 HD22 LEU 36 HD22 LEU 36 6.384 4.384 -4.130 235 HD23 LEU 36 HD23 LEU 36 7.817 3.764 -4.956 236 H1 MAN 101 H1 MAN 101 -5.548 8.985 -5.167 237 H2 MAN 101 H2 MAN 101 -6.931 11.174 -3.606 238 H3 MAN 101 H3 MAN 101 -7.253 12.271 -5.647 239 H4 MAN 101 H4 MAN 101 -4.880 10.673 -6.626 240 H5 MAN 101 H5 MAN 101 -7.823 10.554 -7.570 241 H61 MAN 101 H61 MAN 101 -5.394 8.739 -7.713 242 H62 MAN 101 H62 MAN 101 -6.309 9.427 -9.065 243 HO2 MAN 101 HO2 MAN 101 -4.724 11.834 -3.542 244 HO3 MAN 101 HO3 MAN 101 -5.660 13.422 -4.539 245 HO4 MAN 101 HO4 MAN 101 -5.083 12.750 -7.480 246 HO6 MAN 101 HO6 MAN 101 -8.003 8.095 -7.448 Start of MODEL 13 1 H1 THR 1 H1 THR 1 -8.380 8.603 -2.924 2 H2 THR 1 H2 THR 1 -8.820 7.549 -1.693 3 H3 THR 1 H3 THR 1 -9.489 7.356 -3.212 4 HA THR 1 HA THR 1 -7.775 5.730 -2.778 5 HB THR 1 HB THR 1 -6.222 6.310 -4.698 6 HG21 THR 1 HG21 THR 1 -8.042 6.050 -6.370 7 HG22 THR 1 HG22 THR 1 -9.215 6.579 -5.167 8 HG23 THR 1 HG23 THR 1 -8.355 5.059 -4.947 9 H GLN 2 H GLN 2 -5.541 5.295 -2.380 10 HA GLN 2 HA GLN 2 -4.415 7.163 -0.516 11 HB2 GLN 2 HB2 GLN 2 -4.439 4.690 -0.111 12 HB3 GLN 2 HB3 GLN 2 -3.324 4.501 -1.456 13 HG2 GLN 2 HG2 GLN 2 -2.190 4.448 0.722 14 HG3 GLN 2 HG3 GLN 2 -1.643 5.785 -0.290 15 HE21 GLN 2 HE21 GLN 2 -3.494 4.893 2.485 16 HE22 GLN 2 HE22 GLN 2 -3.585 6.461 3.194 17 H SER 3 H SER 3 -2.451 8.155 -0.733 18 HA SER 3 HA SER 3 -1.894 8.987 -3.436 19 HB2 SER 3 HB2 SER 3 -0.654 9.935 -0.859 20 HB3 SER 3 HB3 SER 3 -0.742 10.790 -2.400 21 HG SER 3 HG SER 3 -2.851 11.169 -2.108 22 H HIS 4 H HIS 4 0.280 9.213 -4.173 23 HA HIS 4 HA HIS 4 1.931 6.968 -4.109 24 HB2 HIS 4 HB2 HIS 4 1.837 8.636 -5.932 25 HB3 HIS 4 HB3 HIS 4 2.508 9.850 -4.866 26 HD1 HIS 4 HD1 HIS 4 4.562 10.340 -6.159 27 HD2 HIS 4 HD2 HIS 4 4.119 6.286 -5.423 28 HE1 HIS 4 HE1 HIS 4 6.679 9.280 -6.974 29 HE2 HIS 4 HE2 HIS 4 6.190 6.836 -6.871 30 H TYR 5 H TYR 5 3.542 6.371 -2.761 31 HA TYR 5 HA TYR 5 4.952 6.256 -1.074 32 HB2 TYR 5 HB2 TYR 5 4.961 9.259 -1.244 33 HB3 TYR 5 HB3 TYR 5 5.789 8.443 0.080 34 HD1 TYR 5 HD1 TYR 5 7.545 6.733 -0.503 35 HD2 TYR 5 HD2 TYR 5 5.998 9.479 -3.338 36 HE1 TYR 5 HE1 TYR 5 9.501 6.335 -1.924 37 HE2 TYR 5 HE2 TYR 5 7.949 9.086 -4.779 38 HH TYR 5 HH TYR 5 10.333 8.310 -4.448 39 H GLY 6 H GLY 6 1.926 6.673 -0.750 40 HA2 GLY 6 HA2 GLY 6 1.985 7.000 2.149 41 HA3 GLY 6 HA3 GLY 6 0.544 7.034 1.127 42 H GLN 7 H GLN 7 0.948 5.404 3.461 43 HA GLN 7 HA GLN 7 1.463 2.740 2.548 44 HB2 GLN 7 HB2 GLN 7 1.895 3.299 4.895 45 HB3 GLN 7 HB3 GLN 7 0.202 3.706 5.126 46 HG2 GLN 7 HG2 GLN 7 -0.456 1.408 4.840 47 HG3 GLN 7 HG3 GLN 7 1.189 0.947 4.417 48 HE21 GLN 7 HE21 GLN 7 -0.560 0.010 6.621 49 HE22 GLN 7 HE22 GLN 7 0.342 0.312 8.047 50 H CYS 8 H CYS 8 0.198 1.724 1.273 51 HA CYS 8 HA CYS 8 -2.550 2.429 0.881 52 HB2 CYS 8 HB2 CYS 8 -2.420 0.445 -0.725 53 HB3 CYS 8 HB3 CYS 8 -1.412 1.847 -1.074 54 H GLY 9 H GLY 9 -0.925 -0.577 1.935 55 HA2 GLY 9 HA2 GLY 9 -2.613 -1.018 4.043 56 HA3 GLY 9 HA3 GLY 9 -3.422 -1.718 2.650 57 H GLY 10 H GLY 10 -0.983 -2.014 4.972 58 HA2 GLY 10 HA2 GLY 10 -0.075 -4.521 3.798 59 HA3 GLY 10 HA3 GLY 10 0.703 -3.670 5.138 60 H ILE 11 H ILE 11 0.524 -5.777 6.268 61 HA ILE 11 HA ILE 11 -2.000 -6.881 6.907 62 HB ILE 11 HB ILE 11 0.624 -7.109 8.420 63 HG12 ILE 11 HG12 ILE 11 -0.606 -8.967 6.362 64 HG13 ILE 11 HG13 ILE 11 0.728 -7.863 6.060 65 HG21 ILE 11 HG21 ILE 11 -0.335 -9.172 9.383 66 HG22 ILE 11 HG22 ILE 11 -1.867 -8.818 8.585 67 HG23 ILE 11 HG23 ILE 11 -1.258 -7.741 9.838 68 HD11 ILE 11 HD11 ILE 11 0.759 -10.194 7.967 69 HD12 ILE 11 HD12 ILE 11 2.104 -9.096 7.655 70 HD13 ILE 11 HD13 ILE 11 1.504 -10.142 6.369 71 H GLY 12 H GLY 12 -3.530 -5.787 7.940 72 HA2 GLY 12 HA2 GLY 12 -4.427 -5.135 10.044 73 HA3 GLY 12 HA3 GLY 12 -2.834 -4.565 10.511 74 H TYR 13 H TYR 13 -3.995 -3.723 7.366 75 HA TYR 13 HA TYR 13 -4.481 -1.017 8.399 76 HB2 TYR 13 HB2 TYR 13 -2.548 -1.343 6.774 77 HB3 TYR 13 HB3 TYR 13 -3.759 -1.741 5.556 78 HD1 TYR 13 HD1 TYR 13 -2.380 0.924 7.668 79 HD2 TYR 13 HD2 TYR 13 -5.089 -0.002 4.542 80 HE1 TYR 13 HE1 TYR 13 -2.631 3.323 7.190 81 HE2 TYR 13 HE2 TYR 13 -5.345 2.389 4.050 82 HH TYR 13 HH TYR 13 -3.308 4.755 5.294 83 H SER 14 H SER 14 -6.530 -0.254 8.282 84 HA SER 14 HA SER 14 -8.450 -1.719 6.621 85 HB2 SER 14 HB2 SER 14 -10.094 -0.866 8.382 86 HB3 SER 14 HB3 SER 14 -8.949 -2.108 8.899 87 HG SER 14 HG SER 14 -8.855 0.687 9.383 88 H GLY 15 H GLY 15 -6.775 0.959 6.408 89 HA2 GLY 15 HA2 GLY 15 -8.914 2.860 5.873 90 HA3 GLY 15 HA3 GLY 15 -7.190 3.174 5.779 91 HA PRO 16 HA PRO 16 -8.695 2.946 1.465 92 HB2 PRO 16 HB2 PRO 16 -7.096 4.899 0.461 93 HB3 PRO 16 HB3 PRO 16 -8.628 5.233 1.270 94 HG2 PRO 16 HG2 PRO 16 -5.848 5.457 2.318 95 HG3 PRO 16 HG3 PRO 16 -7.253 6.492 2.630 96 HD2 PRO 16 HD2 PRO 16 -6.319 4.550 4.349 97 HD3 PRO 16 HD3 PRO 16 -7.984 5.162 4.341 98 H THR 17 H THR 17 -7.941 1.141 0.614 99 HA THR 17 HA THR 17 -5.133 0.524 0.607 100 HB THR 17 HB THR 17 -6.129 -1.673 -0.324 101 HG1 THR 17 HG1 THR 17 -8.214 -1.456 -0.724 102 HG21 THR 17 HG21 THR 17 -6.862 -0.716 2.458 103 HG22 THR 17 HG22 THR 17 -5.299 -1.373 1.988 104 HG23 THR 17 HG23 THR 17 -6.735 -2.400 1.949 105 H VAL 18 H VAL 18 -7.475 1.756 -1.584 106 HA VAL 18 HA VAL 18 -6.093 0.760 -3.938 107 HB VAL 18 HB VAL 18 -8.452 2.674 -3.755 108 HG11 VAL 18 HG11 VAL 18 -8.722 2.271 -6.167 109 HG12 VAL 18 HG12 VAL 18 -7.258 1.292 -6.166 110 HG13 VAL 18 HG13 VAL 18 -7.166 3.018 -5.811 111 HG21 VAL 18 HG21 VAL 18 -8.353 -0.244 -4.506 112 HG22 VAL 18 HG22 VAL 18 -9.793 0.781 -4.514 113 HG23 VAL 18 HG23 VAL 18 -8.970 0.415 -2.993 114 H CYS 19 H CYS 19 -4.473 1.741 -4.812 115 HA CYS 19 HA CYS 19 -3.590 4.295 -3.847 116 HB2 CYS 19 HB2 CYS 19 -2.425 2.410 -5.886 117 HB3 CYS 19 HB3 CYS 19 -1.630 3.858 -5.281 118 H ALA 20 H ALA 20 -2.570 5.746 -5.613 119 HA ALA 20 HA ALA 20 -4.689 6.792 -7.199 120 HB1 ALA 20 HB1 ALA 20 -3.104 8.533 -7.766 121 HB2 ALA 20 HB2 ALA 20 -1.775 7.562 -7.141 122 HB3 ALA 20 HB3 ALA 20 -2.989 8.194 -6.035 123 H SER 21 H SER 21 -4.449 7.334 -9.499 124 HA SER 21 HA SER 21 -4.149 5.042 -11.031 125 HB2 SER 21 HB2 SER 21 -4.150 7.923 -11.929 126 HB3 SER 21 HB3 SER 21 -4.607 6.515 -12.889 127 HG SER 21 HG SER 21 -6.256 7.912 -11.702 128 H GLY 22 H GLY 22 -2.249 4.099 -11.432 129 HA2 GLY 22 HA2 GLY 22 -0.255 4.142 -12.796 130 HA3 GLY 22 HA3 GLY 22 -0.026 5.815 -12.314 131 H THR 23 H THR 23 -1.007 4.243 -9.607 132 HA THR 23 HA THR 23 1.742 3.499 -8.909 133 HB THR 23 HB THR 23 1.297 4.247 -6.568 134 HG1 THR 23 HG1 THR 23 -1.192 4.786 -7.667 135 HG21 THR 23 HG21 THR 23 1.448 6.667 -6.968 136 HG22 THR 23 HG22 THR 23 0.930 6.418 -8.634 137 HG23 THR 23 HG23 THR 23 2.472 5.759 -8.081 138 H THR 24 H THR 24 2.011 1.622 -7.769 139 HA THR 24 HA THR 24 -0.444 0.093 -7.367 140 HB THR 24 HB THR 24 1.058 -1.934 -7.553 141 HG1 THR 24 HG1 THR 24 2.958 0.019 -7.717 142 HG21 THR 24 HG21 THR 24 0.921 -0.127 -9.974 143 HG22 THR 24 HG22 THR 24 -0.349 -1.223 -9.435 144 HG23 THR 24 HG23 THR 24 1.191 -1.868 -10.011 145 H CYS 25 H CYS 25 -0.609 -1.134 -5.482 146 HA CYS 25 HA CYS 25 0.738 -0.035 -3.195 147 HB2 CYS 25 HB2 CYS 25 -1.651 -0.715 -3.103 148 HB3 CYS 25 HB3 CYS 25 -1.189 -2.371 -3.455 149 H GLN 26 H GLN 26 2.884 -0.600 -3.114 150 HA GLN 26 HA GLN 26 3.525 -3.379 -3.709 151 HB2 GLN 26 HB2 GLN 26 5.444 -1.059 -3.455 152 HB3 GLN 26 HB3 GLN 26 5.825 -2.687 -4.006 153 HG2 GLN 26 HG2 GLN 26 4.211 -2.296 -5.899 154 HG3 GLN 26 HG3 GLN 26 4.168 -0.605 -5.413 155 HE21 GLN 26 HE21 GLN 26 5.119 0.174 -7.274 156 HE22 GLN 26 HE22 GLN 26 6.769 -0.140 -7.676 157 H VAL 27 H VAL 27 4.482 -4.651 -2.301 158 HA VAL 27 HA VAL 27 4.231 -3.940 0.482 159 HB VAL 27 HB VAL 27 5.104 -6.551 -0.789 160 HG11 VAL 27 HG11 VAL 27 5.828 -6.385 1.517 161 HG12 VAL 27 HG12 VAL 27 4.527 -7.568 1.362 162 HG13 VAL 27 HG13 VAL 27 4.190 -5.967 2.022 163 HG21 VAL 27 HG21 VAL 27 2.847 -5.977 -1.484 164 HG22 VAL 27 HG22 VAL 27 2.379 -5.703 0.191 165 HG23 VAL 27 HG23 VAL 27 2.810 -7.327 -0.349 166 H LEU 28 H LEU 28 5.880 -2.724 1.206 167 HA LEU 28 HA LEU 28 8.613 -3.319 0.398 168 HB2 LEU 28 HB2 LEU 28 7.616 -1.333 2.449 169 HB3 LEU 28 HB3 LEU 28 9.242 -1.426 1.815 170 HG LEU 28 HG LEU 28 6.772 -0.577 0.299 171 HD11 LEU 28 HD11 LEU 28 7.612 1.052 1.899 172 HD12 LEU 28 HD12 LEU 28 7.853 1.595 0.238 173 HD13 LEU 28 HD13 LEU 28 9.210 0.950 1.167 174 HD21 LEU 28 HD21 LEU 28 8.292 -0.035 -1.519 175 HD22 LEU 28 HD22 LEU 28 8.305 -1.770 -1.180 176 HD23 LEU 28 HD23 LEU 28 9.635 -0.744 -0.621 177 H ASN 29 H ASN 29 6.540 -3.410 3.223 178 HA ASN 29 HA ASN 29 8.327 -5.338 4.507 179 HB2 ASN 29 HB2 ASN 29 6.884 -3.038 5.888 180 HB3 ASN 29 HB3 ASN 29 7.785 -4.308 6.692 181 HD21 ASN 29 HD21 ASN 29 7.975 -1.344 4.920 182 HD22 ASN 29 HD22 ASN 29 9.655 -1.070 5.177 183 HA PRO 30 HA PRO 30 4.590 -7.696 4.986 184 HB2 PRO 30 HB2 PRO 30 4.925 -7.690 7.948 185 HB3 PRO 30 HB3 PRO 30 4.719 -9.057 6.847 186 HG2 PRO 30 HG2 PRO 30 7.098 -8.539 7.884 187 HG3 PRO 30 HG3 PRO 30 6.954 -9.028 6.183 188 HD2 PRO 30 HD2 PRO 30 7.387 -6.310 7.352 189 HD3 PRO 30 HD3 PRO 30 8.131 -7.030 5.909 190 H TYR 31 H TYR 31 4.923 -5.173 7.475 191 HA TYR 31 HA TYR 31 2.020 -4.907 7.495 192 HB2 TYR 31 HB2 TYR 31 4.090 -3.581 9.251 193 HB3 TYR 31 HB3 TYR 31 2.353 -3.442 9.433 194 HD1 TYR 31 HD1 TYR 31 1.055 -5.286 10.341 195 HD2 TYR 31 HD2 TYR 31 5.269 -5.610 9.894 196 HE1 TYR 31 HE1 TYR 31 1.065 -7.230 11.845 197 HE2 TYR 31 HE2 TYR 31 5.285 -7.559 11.395 198 HH TYR 31 HH TYR 31 2.462 -9.157 12.279 199 H TYR 32 H TYR 32 4.874 -3.259 6.343 200 HA TYR 32 HA TYR 32 3.226 -0.925 5.736 201 HB2 TYR 32 HB2 TYR 32 5.474 -0.561 6.873 202 HB3 TYR 32 HB3 TYR 32 6.212 -1.154 5.400 203 HD1 TYR 32 HD1 TYR 32 6.509 0.233 3.518 204 HD2 TYR 32 HD2 TYR 32 4.117 1.547 6.764 205 HE1 TYR 32 HE1 TYR 32 6.412 2.483 2.531 206 HE2 TYR 32 HE2 TYR 32 4.008 3.798 5.793 207 HH TYR 32 HH TYR 32 5.284 5.167 4.259 208 H SER 33 H SER 33 2.277 -0.961 3.877 209 HA SER 33 HA SER 33 3.761 -1.860 1.526 210 HB2 SER 33 HB2 SER 33 0.766 -1.885 2.039 211 HB3 SER 33 HB3 SER 33 1.532 -2.432 0.552 212 HG SER 33 HG SER 33 2.734 -3.709 2.505 213 H GLN 34 H GLN 34 3.715 -0.336 -0.215 214 HA GLN 34 HA GLN 34 2.603 2.283 0.525 215 HB2 GLN 34 HB2 GLN 34 4.948 2.177 1.151 216 HB3 GLN 34 HB3 GLN 34 5.386 1.712 -0.484 217 HG2 GLN 34 HG2 GLN 34 4.634 3.853 -1.309 218 HG3 GLN 34 HG3 GLN 34 4.144 4.335 0.319 219 HE21 GLN 34 HE21 GLN 34 5.769 4.786 1.846 220 HE22 GLN 34 HE22 GLN 34 7.379 5.104 1.372 221 H CYS 35 H CYS 35 1.860 3.500 -1.140 222 HA CYS 35 HA CYS 35 1.389 2.239 -3.662 223 HB2 CYS 35 HB2 CYS 35 0.854 5.068 -2.764 224 HB3 CYS 35 HB3 CYS 35 0.289 4.368 -4.278 225 H LEU 36 H LEU 36 2.966 1.971 -5.010 226 HA LEU 36 HA LEU 36 4.626 4.228 -5.808 227 HB2 LEU 36 HB2 LEU 36 5.511 1.378 -5.342 228 HB3 LEU 36 HB3 LEU 36 6.491 2.604 -6.115 229 HG LEU 36 HG LEU 36 5.518 2.752 -3.260 230 HD11 LEU 36 HD11 LEU 36 8.241 2.030 -4.340 231 HD12 LEU 36 HD12 LEU 36 7.104 0.922 -3.565 232 HD13 LEU 36 HD13 LEU 36 7.809 2.246 -2.640 233 HD21 LEU 36 HD21 LEU 36 7.155 4.565 -3.080 234 HD22 LEU 36 HD22 LEU 36 5.908 4.938 -4.264 235 HD23 LEU 36 HD23 LEU 36 7.505 4.415 -4.801 236 H1 MAN 101 H1 MAN 101 -5.312 8.007 -5.932 237 H2 MAN 101 H2 MAN 101 -5.744 10.429 -5.405 238 H3 MAN 101 H3 MAN 101 -8.107 10.587 -5.955 239 H4 MAN 101 H4 MAN 101 -7.172 10.107 -8.800 240 H5 MAN 101 H5 MAN 101 -8.831 8.277 -6.934 241 H61 MAN 101 H61 MAN 101 -7.825 7.951 -9.781 242 H62 MAN 101 H62 MAN 101 -9.540 8.002 -9.284 243 HO2 MAN 101 HO2 MAN 101 -5.176 11.158 -7.424 244 HO3 MAN 101 HO3 MAN 101 -7.869 12.343 -7.435 245 HO4 MAN 101 HO4 MAN 101 -9.426 10.241 -9.191 246 HO6 MAN 101 HO6 MAN 101 -7.662 6.121 -8.247 Start of MODEL 14 1 H1 THR 1 H1 THR 1 -8.734 6.608 -1.054 2 H2 THR 1 H2 THR 1 -9.478 6.426 -2.562 3 H3 THR 1 H3 THR 1 -8.450 7.725 -2.260 4 HA THR 1 HA THR 1 -7.559 4.947 -2.298 5 HB THR 1 HB THR 1 -6.293 5.770 -4.350 6 HG21 THR 1 HG21 THR 1 -9.325 5.841 -4.537 7 HG22 THR 1 HG22 THR 1 -8.393 4.354 -4.415 8 HG23 THR 1 HG23 THR 1 -8.232 5.381 -5.836 9 H GLN 2 H GLN 2 -5.148 4.934 -2.350 10 HA GLN 2 HA GLN 2 -4.172 6.849 -0.387 11 HB2 GLN 2 HB2 GLN 2 -3.925 4.325 -0.155 12 HB3 GLN 2 HB3 GLN 2 -2.803 4.404 -1.499 13 HG2 GLN 2 HG2 GLN 2 -1.493 4.379 0.462 14 HG3 GLN 2 HG3 GLN 2 -1.448 6.022 -0.172 15 HE21 GLN 2 HE21 GLN 2 -4.111 4.565 1.616 16 HE22 GLN 2 HE22 GLN 2 -3.987 5.593 2.982 17 H SER 3 H SER 3 -2.511 8.273 -0.859 18 HA SER 3 HA SER 3 -1.930 8.783 -3.635 19 HB2 SER 3 HB2 SER 3 -0.955 10.148 -1.115 20 HB3 SER 3 HB3 SER 3 -0.758 10.761 -2.757 21 HG SER 3 HG SER 3 -3.137 10.412 -1.269 22 H HIS 4 H HIS 4 0.432 9.382 -4.138 23 HA HIS 4 HA HIS 4 1.997 7.036 -4.042 24 HB2 HIS 4 HB2 HIS 4 2.023 8.819 -5.830 25 HB3 HIS 4 HB3 HIS 4 2.897 9.853 -4.711 26 HD1 HIS 4 HD1 HIS 4 5.234 9.970 -5.603 27 HD2 HIS 4 HD2 HIS 4 3.686 6.123 -5.776 28 HE1 HIS 4 HE1 HIS 4 7.098 8.530 -6.437 29 HE2 HIS 4 HE2 HIS 4 6.030 6.312 -6.837 30 H TYR 5 H TYR 5 3.591 6.405 -2.680 31 HA TYR 5 HA TYR 5 4.955 6.260 -0.929 32 HB2 TYR 5 HB2 TYR 5 4.789 9.246 -0.958 33 HB3 TYR 5 HB3 TYR 5 5.482 8.443 0.438 34 HD1 TYR 5 HD1 TYR 5 6.053 9.612 -2.909 35 HD2 TYR 5 HD2 TYR 5 7.484 6.966 0.086 36 HE1 TYR 5 HE1 TYR 5 8.252 9.559 -4.002 37 HE2 TYR 5 HE2 TYR 5 9.677 6.898 -0.999 38 HH TYR 5 HH TYR 5 10.559 9.133 -3.389 39 H GLY 6 H GLY 6 1.861 6.594 -0.767 40 HA2 GLY 6 HA2 GLY 6 1.732 6.918 2.125 41 HA3 GLY 6 HA3 GLY 6 0.359 6.795 1.031 42 H GLN 7 H GLN 7 0.823 5.311 3.469 43 HA GLN 7 HA GLN 7 1.502 2.630 2.759 44 HB2 GLN 7 HB2 GLN 7 1.755 3.470 5.074 45 HB3 GLN 7 HB3 GLN 7 0.023 3.733 5.164 46 HG2 GLN 7 HG2 GLN 7 -0.364 1.320 4.995 47 HG3 GLN 7 HG3 GLN 7 1.376 1.047 4.890 48 HE21 GLN 7 HE21 GLN 7 1.359 -0.245 6.830 49 HE22 GLN 7 HE22 GLN 7 1.157 0.491 8.354 50 H CYS 8 H CYS 8 0.270 1.895 1.144 51 HA CYS 8 HA CYS 8 -2.448 2.446 0.724 52 HB2 CYS 8 HB2 CYS 8 -2.279 0.443 -0.843 53 HB3 CYS 8 HB3 CYS 8 -1.207 1.808 -1.156 54 H GLY 9 H GLY 9 -0.937 -0.543 1.837 55 HA2 GLY 9 HA2 GLY 9 -2.837 -1.004 3.807 56 HA3 GLY 9 HA3 GLY 9 -3.378 -1.793 2.328 57 H GLY 10 H GLY 10 -1.108 -1.764 4.865 58 HA2 GLY 10 HA2 GLY 10 0.001 -4.270 3.866 59 HA3 GLY 10 HA3 GLY 10 0.658 -3.333 5.213 60 H ILE 11 H ILE 11 0.465 -5.610 6.216 61 HA ILE 11 HA ILE 11 -2.125 -6.537 6.885 62 HB ILE 11 HB ILE 11 0.505 -7.037 8.335 63 HG12 ILE 11 HG12 ILE 11 -0.893 -8.736 6.246 64 HG13 ILE 11 HG13 ILE 11 0.526 -7.741 5.950 65 HG21 ILE 11 HG21 ILE 11 -2.116 -8.547 8.459 66 HG22 ILE 11 HG22 ILE 11 -1.427 -7.554 9.743 67 HG23 ILE 11 HG23 ILE 11 -0.616 -9.039 9.244 68 HD11 ILE 11 HD11 ILE 11 1.108 -10.093 6.218 69 HD12 ILE 11 HD12 ILE 11 0.383 -10.091 7.828 70 HD13 ILE 11 HD13 ILE 11 1.811 -9.111 7.501 71 H GLY 12 H GLY 12 -3.499 -5.409 8.063 72 HA2 GLY 12 HA2 GLY 12 -4.127 -4.719 10.280 73 HA3 GLY 12 HA3 GLY 12 -2.489 -4.134 10.515 74 H TYR 13 H TYR 13 -3.270 -3.188 7.481 75 HA TYR 13 HA TYR 13 -4.346 -0.628 8.464 76 HB2 TYR 13 HB2 TYR 13 -2.104 -0.497 7.339 77 HB3 TYR 13 HB3 TYR 13 -2.826 -1.169 5.886 78 HD1 TYR 13 HD1 TYR 13 -4.458 0.209 4.577 79 HD2 TYR 13 HD2 TYR 13 -2.347 1.821 7.893 80 HE1 TYR 13 HE1 TYR 13 -5.014 2.473 3.823 81 HE2 TYR 13 HE2 TYR 13 -2.908 4.095 7.141 82 HH TYR 13 HH TYR 13 -3.513 5.227 5.080 83 H SER 14 H SER 14 -6.469 -0.361 8.025 84 HA SER 14 HA SER 14 -7.555 -1.869 5.760 85 HB2 SER 14 HB2 SER 14 -9.678 -1.861 7.097 86 HB3 SER 14 HB3 SER 14 -8.361 -2.808 7.790 87 HG SER 14 HG SER 14 -9.592 -0.529 8.702 88 H GLY 15 H GLY 15 -6.577 1.051 6.204 89 HA2 GLY 15 HA2 GLY 15 -8.908 2.647 5.651 90 HA3 GLY 15 HA3 GLY 15 -7.235 3.178 5.551 91 HA PRO 16 HA PRO 16 -8.661 2.999 1.200 92 HB2 PRO 16 HB2 PRO 16 -6.991 4.974 0.284 93 HB3 PRO 16 HB3 PRO 16 -8.596 5.270 0.953 94 HG2 PRO 16 HG2 PRO 16 -5.931 5.626 2.203 95 HG3 PRO 16 HG3 PRO 16 -7.420 6.549 2.449 96 HD2 PRO 16 HD2 PRO 16 -6.430 4.633 4.177 97 HD3 PRO 16 HD3 PRO 16 -8.118 5.164 4.124 98 H THR 17 H THR 17 -7.858 1.111 0.553 99 HA THR 17 HA THR 17 -5.059 0.523 0.733 100 HB THR 17 HB THR 17 -5.920 -1.750 -0.081 101 HG1 THR 17 HG1 THR 17 -8.429 -1.082 0.856 102 HG21 THR 17 HG21 THR 17 -5.366 -1.240 2.282 103 HG22 THR 17 HG22 THR 17 -6.760 -2.310 2.160 104 HG23 THR 17 HG23 THR 17 -6.990 -0.598 2.511 105 H VAL 18 H VAL 18 -7.263 1.441 -1.752 106 HA VAL 18 HA VAL 18 -5.516 0.388 -3.835 107 HB VAL 18 HB VAL 18 -8.054 2.030 -4.129 108 HG11 VAL 18 HG11 VAL 18 -6.643 2.144 -6.110 109 HG12 VAL 18 HG12 VAL 18 -8.099 1.203 -6.440 110 HG13 VAL 18 HG13 VAL 18 -6.560 0.383 -6.168 111 HG21 VAL 18 HG21 VAL 18 -7.694 -0.960 -4.269 112 HG22 VAL 18 HG22 VAL 18 -9.178 -0.096 -4.671 113 HG23 VAL 18 HG23 VAL 18 -8.560 -0.068 -3.019 114 H CYS 19 H CYS 19 -4.242 1.697 -5.095 115 HA CYS 19 HA CYS 19 -3.574 4.207 -3.840 116 HB2 CYS 19 HB2 CYS 19 -2.222 2.665 -6.051 117 HB3 CYS 19 HB3 CYS 19 -1.579 4.086 -5.240 118 H ALA 20 H ALA 20 -2.596 5.770 -5.735 119 HA ALA 20 HA ALA 20 -4.947 6.659 -7.128 120 HB1 ALA 20 HB1 ALA 20 -2.165 7.811 -6.996 121 HB2 ALA 20 HB2 ALA 20 -3.532 8.285 -5.986 122 HB3 ALA 20 HB3 ALA 20 -3.560 8.605 -7.720 123 H SER 21 H SER 21 -4.580 7.495 -9.440 124 HA SER 21 HA SER 21 -4.251 5.267 -11.075 125 HB2 SER 21 HB2 SER 21 -4.301 8.190 -11.829 126 HB3 SER 21 HB3 SER 21 -4.782 6.815 -12.830 127 HG SER 21 HG SER 21 -6.441 6.390 -11.400 128 H GLY 22 H GLY 22 -2.338 4.381 -11.521 129 HA2 GLY 22 HA2 GLY 22 -0.350 4.523 -12.865 130 HA3 GLY 22 HA3 GLY 22 -0.108 6.150 -12.236 131 H THR 23 H THR 23 -1.118 4.490 -9.637 132 HA THR 23 HA THR 23 1.613 3.658 -8.956 133 HB THR 23 HB THR 23 1.134 4.371 -6.589 134 HG1 THR 23 HG1 THR 23 -1.288 4.941 -7.730 135 HG21 THR 23 HG21 THR 23 0.961 6.576 -8.649 136 HG22 THR 23 HG22 THR 23 2.446 5.821 -8.061 137 HG23 THR 23 HG23 THR 23 1.444 6.771 -6.964 138 H THR 24 H THR 24 1.838 1.835 -7.658 139 HA THR 24 HA THR 24 -0.626 0.284 -7.301 140 HB THR 24 HB THR 24 0.890 -1.746 -7.541 141 HG1 THR 24 HG1 THR 24 2.765 0.226 -7.832 142 HG21 THR 24 HG21 THR 24 0.544 0.063 -9.936 143 HG22 THR 24 HG22 THR 24 -0.653 -1.076 -9.317 144 HG23 THR 24 HG23 THR 24 0.860 -1.669 -10.004 145 H CYS 25 H CYS 25 -0.561 -1.251 -5.520 146 HA CYS 25 HA CYS 25 0.740 -0.071 -3.228 147 HB2 CYS 25 HB2 CYS 25 -1.629 -0.769 -3.092 148 HB3 CYS 25 HB3 CYS 25 -1.168 -2.421 -3.470 149 H GLN 26 H GLN 26 2.845 -0.608 -3.081 150 HA GLN 26 HA GLN 26 3.553 -3.331 -3.786 151 HB2 GLN 26 HB2 GLN 26 5.356 -0.934 -3.449 152 HB3 GLN 26 HB3 GLN 26 5.875 -2.542 -3.939 153 HG2 GLN 26 HG2 GLN 26 4.331 -2.333 -5.904 154 HG3 GLN 26 HG3 GLN 26 4.089 -0.653 -5.448 155 HE21 GLN 26 HE21 GLN 26 4.980 0.181 -7.270 156 HE22 GLN 26 HE22 GLN 26 6.646 0.037 -7.675 157 H VAL 27 H VAL 27 4.311 -4.690 -2.405 158 HA VAL 27 HA VAL 27 4.062 -4.066 0.386 159 HB VAL 27 HB VAL 27 4.832 -6.670 -0.978 160 HG11 VAL 27 HG11 VAL 27 3.994 -6.142 1.871 161 HG12 VAL 27 HG12 VAL 27 5.605 -6.617 1.330 162 HG13 VAL 27 HG13 VAL 27 4.248 -7.730 1.149 163 HG21 VAL 27 HG21 VAL 27 2.582 -5.942 -1.587 164 HG22 VAL 27 HG22 VAL 27 2.171 -5.769 0.121 165 HG23 VAL 27 HG23 VAL 27 2.525 -7.362 -0.545 166 H LEU 28 H LEU 28 5.691 -2.863 1.082 167 HA LEU 28 HA LEU 28 8.458 -3.429 0.406 168 HB2 LEU 28 HB2 LEU 28 7.368 -1.576 2.537 169 HB3 LEU 28 HB3 LEU 28 8.987 -1.562 1.885 170 HG LEU 28 HG LEU 28 6.456 -0.701 0.477 171 HD11 LEU 28 HD11 LEU 28 8.888 0.819 1.369 172 HD12 LEU 28 HD12 LEU 28 7.286 0.871 2.106 173 HD13 LEU 28 HD13 LEU 28 7.523 1.488 0.474 174 HD21 LEU 28 HD21 LEU 28 7.955 -1.764 -1.124 175 HD22 LEU 28 HD22 LEU 28 9.277 -0.728 -0.544 176 HD23 LEU 28 HD23 LEU 28 7.877 -0.011 -1.346 177 H ASN 29 H ASN 29 6.377 -3.430 3.234 178 HA ASN 29 HA ASN 29 8.010 -5.489 4.527 179 HB2 ASN 29 HB2 ASN 29 6.580 -3.126 5.814 180 HB3 ASN 29 HB3 ASN 29 7.341 -4.461 6.658 181 HD21 ASN 29 HD21 ASN 29 7.859 -1.507 4.940 182 HD22 ASN 29 HD22 ASN 29 9.505 -1.318 5.399 183 HA PRO 30 HA PRO 30 4.071 -7.555 4.920 184 HB2 PRO 30 HB2 PRO 30 4.230 -7.763 7.857 185 HB3 PRO 30 HB3 PRO 30 4.178 -9.049 6.648 186 HG2 PRO 30 HG2 PRO 30 6.413 -8.464 8.024 187 HG3 PRO 30 HG3 PRO 30 6.457 -9.045 6.354 188 HD2 PRO 30 HD2 PRO 30 6.826 -6.303 7.427 189 HD3 PRO 30 HD3 PRO 30 7.642 -7.095 6.061 190 H TYR 31 H TYR 31 4.584 -5.216 7.586 191 HA TYR 31 HA TYR 31 1.713 -4.742 7.582 192 HB2 TYR 31 HB2 TYR 31 3.819 -3.632 9.465 193 HB3 TYR 31 HB3 TYR 31 2.078 -3.555 9.666 194 HD1 TYR 31 HD1 TYR 31 5.032 -5.741 9.917 195 HD2 TYR 31 HD2 TYR 31 0.806 -5.532 10.334 196 HE1 TYR 31 HE1 TYR 31 5.052 -7.874 11.106 197 HE2 TYR 31 HE2 TYR 31 0.823 -7.669 11.527 198 HH TYR 31 HH TYR 31 2.148 -9.571 11.785 199 H TYR 32 H TYR 32 4.713 -3.247 6.635 200 HA TYR 32 HA TYR 32 3.173 -0.861 5.931 201 HB2 TYR 32 HB2 TYR 32 5.394 -0.526 7.176 202 HB3 TYR 32 HB3 TYR 32 6.170 -1.115 5.722 203 HD1 TYR 32 HD1 TYR 32 6.659 0.324 3.941 204 HD2 TYR 32 HD2 TYR 32 3.865 1.536 6.902 205 HE1 TYR 32 HE1 TYR 32 6.559 2.557 2.917 206 HE2 TYR 32 HE2 TYR 32 3.758 3.774 5.904 207 HH TYR 32 HH TYR 32 5.063 5.220 4.507 208 H SER 33 H SER 33 2.329 -0.868 4.002 209 HA SER 33 HA SER 33 3.951 -1.801 1.770 210 HB2 SER 33 HB2 SER 33 0.940 -2.047 2.114 211 HB3 SER 33 HB3 SER 33 1.852 -2.596 0.705 212 HG SER 33 HG SER 33 3.076 -3.742 2.652 213 H GLN 34 H GLN 34 3.768 -0.379 -0.098 214 HA GLN 34 HA GLN 34 2.619 2.228 0.618 215 HB2 GLN 34 HB2 GLN 34 4.931 2.223 1.320 216 HB3 GLN 34 HB3 GLN 34 5.442 1.675 -0.263 217 HG2 GLN 34 HG2 GLN 34 4.746 3.761 -1.234 218 HG3 GLN 34 HG3 GLN 34 4.149 4.327 0.332 219 HE21 GLN 34 HE21 GLN 34 5.675 4.847 1.947 220 HE22 GLN 34 HE22 GLN 34 7.315 5.161 1.522 221 H CYS 35 H CYS 35 1.948 3.468 -1.044 222 HA CYS 35 HA CYS 35 1.500 2.225 -3.576 223 HB2 CYS 35 HB2 CYS 35 0.953 5.024 -2.627 224 HB3 CYS 35 HB3 CYS 35 0.483 4.403 -4.205 225 H LEU 36 H LEU 36 2.973 2.011 -4.965 226 HA LEU 36 HA LEU 36 4.610 4.270 -5.751 227 HB2 LEU 36 HB2 LEU 36 5.564 1.424 -5.365 228 HB3 LEU 36 HB3 LEU 36 6.499 2.684 -6.136 229 HG LEU 36 HG LEU 36 5.613 2.742 -3.243 230 HD11 LEU 36 HD11 LEU 36 7.929 2.272 -2.706 231 HD12 LEU 36 HD12 LEU 36 8.309 2.100 -4.423 232 HD13 LEU 36 HD13 LEU 36 7.222 0.953 -3.637 233 HD21 LEU 36 HD21 LEU 36 7.530 4.501 -4.785 234 HD22 LEU 36 HD22 LEU 36 7.233 4.584 -3.050 235 HD23 LEU 36 HD23 LEU 36 5.941 4.976 -4.180 236 H1 MAN 101 H1 MAN 101 -5.860 7.742 -5.786 237 H2 MAN 101 H2 MAN 101 -8.162 9.721 -5.572 238 H3 MAN 101 H3 MAN 101 -7.256 10.890 -7.343 239 H4 MAN 101 H4 MAN 101 -5.732 8.376 -8.059 240 H5 MAN 101 H5 MAN 101 -8.786 8.655 -7.726 241 H61 MAN 101 H61 MAN 101 -7.115 6.706 -9.367 242 H62 MAN 101 H62 MAN 101 -8.512 7.649 -9.922 243 HO2 MAN 101 HO2 MAN 101 -5.394 9.958 -5.032 244 HO3 MAN 101 HO3 MAN 101 -5.005 10.900 -7.747 245 HO4 MAN 101 HO4 MAN 101 -6.664 8.953 -10.112 246 HO6 MAN 101 HO6 MAN 101 -8.432 5.351 -8.334 Start of MODEL 15 1 H1 THR 1 H1 THR 1 -8.877 6.567 -1.661 2 H2 THR 1 H2 THR 1 -9.378 6.453 -3.275 3 H3 THR 1 H3 THR 1 -8.429 7.735 -2.769 4 HA THR 1 HA THR 1 -7.477 4.953 -2.830 5 HB THR 1 HB THR 1 -5.902 5.996 -4.518 6 HG21 THR 1 HG21 THR 1 -8.846 5.733 -5.256 7 HG22 THR 1 HG22 THR 1 -7.695 4.413 -5.143 8 HG23 THR 1 HG23 THR 1 -7.504 5.631 -6.396 9 H GLN 2 H GLN 2 -5.290 4.769 -2.223 10 HA GLN 2 HA GLN 2 -4.352 6.762 -0.358 11 HB2 GLN 2 HB2 GLN 2 -4.078 4.214 -0.113 12 HB3 GLN 2 HB3 GLN 2 -2.882 4.333 -1.388 13 HG2 GLN 2 HG2 GLN 2 -1.665 4.340 0.632 14 HG3 GLN 2 HG3 GLN 2 -1.647 5.990 0.025 15 HE21 GLN 2 HE21 GLN 2 -4.376 4.467 1.639 16 HE22 GLN 2 HE22 GLN 2 -4.321 5.424 3.057 17 H SER 3 H SER 3 -2.707 8.178 -0.825 18 HA SER 3 HA SER 3 -2.127 8.600 -3.607 19 HB2 SER 3 HB2 SER 3 -1.243 10.148 -1.169 20 HB3 SER 3 HB3 SER 3 -1.166 10.700 -2.847 21 HG SER 3 HG SER 3 -3.555 10.114 -2.748 22 H HIS 4 H HIS 4 0.155 9.247 -4.192 23 HA HIS 4 HA HIS 4 1.890 7.076 -4.086 24 HB2 HIS 4 HB2 HIS 4 1.784 8.950 -5.786 25 HB3 HIS 4 HB3 HIS 4 2.601 9.968 -4.617 26 HD1 HIS 4 HD1 HIS 4 4.771 10.342 -5.802 27 HD2 HIS 4 HD2 HIS 4 3.725 6.333 -5.669 28 HE1 HIS 4 HE1 HIS 4 6.688 9.112 -6.844 29 HE2 HIS 4 HE2 HIS 4 5.905 6.756 -7.011 30 H TYR 5 H TYR 5 3.417 6.437 -2.670 31 HA TYR 5 HA TYR 5 4.782 6.265 -0.943 32 HB2 TYR 5 HB2 TYR 5 4.761 9.267 -0.986 33 HB3 TYR 5 HB3 TYR 5 5.530 8.410 0.335 34 HD1 TYR 5 HD1 TYR 5 7.671 7.470 0.086 35 HD2 TYR 5 HD2 TYR 5 5.598 8.889 -3.335 36 HE1 TYR 5 HE1 TYR 5 9.722 7.242 -1.241 37 HE2 TYR 5 HE2 TYR 5 7.640 8.659 -4.670 38 HH TYR 5 HH TYR 5 10.366 6.986 -3.555 39 H GLY 6 H GLY 6 1.732 6.683 -0.667 40 HA2 GLY 6 HA2 GLY 6 1.689 6.948 2.238 41 HA3 GLY 6 HA3 GLY 6 0.286 6.827 1.181 42 H GLN 7 H GLN 7 0.571 5.260 3.486 43 HA GLN 7 HA GLN 7 1.471 2.631 2.701 44 HB2 GLN 7 HB2 GLN 7 1.590 3.558 5.083 45 HB3 GLN 7 HB3 GLN 7 -0.157 3.419 5.123 46 HG2 GLN 7 HG2 GLN 7 -0.016 1.006 4.872 47 HG3 GLN 7 HG3 GLN 7 1.739 1.107 4.728 48 HE21 GLN 7 HE21 GLN 7 0.228 -0.390 6.726 49 HE22 GLN 7 HE22 GLN 7 0.690 0.260 8.245 50 H CYS 8 H CYS 8 0.249 1.646 1.220 51 HA CYS 8 HA CYS 8 -2.449 2.318 0.737 52 HB2 CYS 8 HB2 CYS 8 -2.282 0.302 -0.845 53 HB3 CYS 8 HB3 CYS 8 -1.271 1.706 -1.162 54 H GLY 9 H GLY 9 -1.081 -0.801 1.705 55 HA2 GLY 9 HA2 GLY 9 -3.070 -1.211 3.647 56 HA3 GLY 9 HA3 GLY 9 -3.583 -1.958 2.146 57 H GLY 10 H GLY 10 -1.122 -1.882 4.571 58 HA2 GLY 10 HA2 GLY 10 -0.315 -4.595 3.826 59 HA3 GLY 10 HA3 GLY 10 0.550 -3.535 4.945 60 H ILE 11 H ILE 11 0.109 -5.901 6.053 61 HA ILE 11 HA ILE 11 -2.453 -6.307 7.137 62 HB ILE 11 HB ILE 11 0.234 -7.237 8.225 63 HG12 ILE 11 HG12 ILE 11 -1.771 -8.669 6.463 64 HG13 ILE 11 HG13 ILE 11 -0.246 -7.988 5.918 65 HG21 ILE 11 HG21 ILE 11 -1.051 -8.968 9.420 66 HG22 ILE 11 HG22 ILE 11 -2.555 -8.254 8.840 67 HG23 ILE 11 HG23 ILE 11 -1.521 -7.349 9.944 68 HD11 ILE 11 HD11 ILE 11 -0.102 -10.398 6.202 69 HD12 ILE 11 HD12 ILE 11 -0.564 -10.236 7.897 70 HD13 ILE 11 HD13 ILE 11 0.967 -9.566 7.330 71 H GLY 12 H GLY 12 -3.521 -5.105 8.543 72 HA2 GLY 12 HA2 GLY 12 -3.623 -4.267 10.803 73 HA3 GLY 12 HA3 GLY 12 -1.984 -3.671 10.591 74 H TYR 13 H TYR 13 -3.004 -2.932 7.733 75 HA TYR 13 HA TYR 13 -4.006 -0.299 8.570 76 HB2 TYR 13 HB2 TYR 13 -1.919 -0.458 7.121 77 HB3 TYR 13 HB3 TYR 13 -2.936 -1.122 5.849 78 HD1 TYR 13 HD1 TYR 13 -2.018 1.876 7.713 79 HD2 TYR 13 HD2 TYR 13 -4.528 0.325 4.652 80 HE1 TYR 13 HE1 TYR 13 -2.545 4.163 6.995 81 HE2 TYR 13 HE2 TYR 13 -5.061 2.610 3.927 82 HH TYR 13 HH TYR 13 -3.298 5.280 4.962 83 H SER 14 H SER 14 -6.069 0.383 7.895 84 HA SER 14 HA SER 14 -7.519 -1.520 6.219 85 HB2 SER 14 HB2 SER 14 -9.446 -1.218 7.835 86 HB3 SER 14 HB3 SER 14 -8.083 -2.185 8.401 87 HG SER 14 HG SER 14 -8.938 0.349 9.160 88 H GLY 15 H GLY 15 -6.488 1.441 6.098 89 HA2 GLY 15 HA2 GLY 15 -8.953 2.881 5.563 90 HA3 GLY 15 HA3 GLY 15 -7.321 3.506 5.385 91 HA PRO 16 HA PRO 16 -8.825 2.923 1.076 92 HB2 PRO 16 HB2 PRO 16 -7.201 4.877 0.006 93 HB3 PRO 16 HB3 PRO 16 -8.822 5.182 0.632 94 HG2 PRO 16 HG2 PRO 16 -6.177 5.665 1.902 95 HG3 PRO 16 HG3 PRO 16 -7.659 6.620 2.007 96 HD2 PRO 16 HD2 PRO 16 -6.791 4.950 3.981 97 HD3 PRO 16 HD3 PRO 16 -8.502 5.337 3.722 98 H THR 17 H THR 17 -7.957 1.014 0.578 99 HA THR 17 HA THR 17 -5.135 0.496 0.708 100 HB THR 17 HB THR 17 -6.035 -1.806 0.052 101 HG1 THR 17 HG1 THR 17 -8.412 -1.714 0.821 102 HG21 THR 17 HG21 THR 17 -6.821 -2.228 2.336 103 HG22 THR 17 HG22 THR 17 -7.070 -0.500 2.582 104 HG23 THR 17 HG23 THR 17 -5.442 -1.129 2.381 105 H VAL 18 H VAL 18 -7.302 1.469 -1.741 106 HA VAL 18 HA VAL 18 -5.669 0.262 -3.828 107 HB VAL 18 HB VAL 18 -8.103 2.070 -4.103 108 HG11 VAL 18 HG11 VAL 18 -6.661 2.144 -6.085 109 HG12 VAL 18 HG12 VAL 18 -8.174 1.310 -6.432 110 HG13 VAL 18 HG13 VAL 18 -6.697 0.384 -6.180 111 HG21 VAL 18 HG21 VAL 18 -9.300 -0.001 -4.715 112 HG22 VAL 18 HG22 VAL 18 -8.709 0.002 -3.052 113 HG23 VAL 18 HG23 VAL 18 -7.856 -0.924 -4.286 114 H CYS 19 H CYS 19 -4.158 1.346 -4.883 115 HA CYS 19 HA CYS 19 -3.406 3.912 -3.859 116 HB2 CYS 19 HB2 CYS 19 -2.150 2.132 -5.928 117 HB3 CYS 19 HB3 CYS 19 -1.456 3.652 -5.365 118 H ALA 20 H ALA 20 -2.775 5.649 -5.248 119 HA ALA 20 HA ALA 20 -4.814 6.581 -6.897 120 HB1 ALA 20 HB1 ALA 20 -3.325 8.419 -7.415 121 HB2 ALA 20 HB2 ALA 20 -1.946 7.497 -6.824 122 HB3 ALA 20 HB3 ALA 20 -3.188 8.031 -5.698 123 H SER 21 H SER 21 -4.823 7.058 -9.089 124 HA SER 21 HA SER 21 -4.242 4.913 -10.730 125 HB2 SER 21 HB2 SER 21 -4.740 7.784 -11.497 126 HB3 SER 21 HB3 SER 21 -5.093 6.340 -12.464 127 HG SER 21 HG SER 21 -6.303 5.786 -10.365 128 H GLY 22 H GLY 22 -2.300 4.263 -11.315 129 HA2 GLY 22 HA2 GLY 22 -0.396 4.672 -12.740 130 HA3 GLY 22 HA3 GLY 22 -0.286 6.276 -12.018 131 H THR 23 H THR 23 -1.004 4.742 -9.414 132 HA THR 23 HA THR 23 1.764 3.954 -8.904 133 HB THR 23 HB THR 23 1.373 4.524 -6.512 134 HG1 THR 23 HG1 THR 23 -1.198 4.938 -7.485 135 HG21 THR 23 HG21 THR 23 2.353 6.203 -7.992 136 HG22 THR 23 HG22 THR 23 1.326 6.960 -6.773 137 HG23 THR 23 HG23 THR 23 0.740 6.772 -8.426 138 H THR 24 H THR 24 2.141 2.087 -7.631 139 HA THR 24 HA THR 24 -0.200 0.344 -7.430 140 HB THR 24 HB THR 24 1.437 -1.567 -7.719 141 HG1 THR 24 HG1 THR 24 3.245 0.503 -7.828 142 HG21 THR 24 HG21 THR 24 1.515 -1.364 -10.172 143 HG22 THR 24 HG22 THR 24 1.100 0.346 -10.032 144 HG23 THR 24 HG23 THR 24 -0.054 -0.885 -9.523 145 H CYS 25 H CYS 25 -0.327 -1.048 -5.648 146 HA CYS 25 HA CYS 25 0.914 -0.008 -3.278 147 HB2 CYS 25 HB2 CYS 25 -1.459 -0.734 -3.216 148 HB3 CYS 25 HB3 CYS 25 -0.974 -2.366 -3.668 149 H GLN 26 H GLN 26 3.013 -0.479 -3.123 150 HA GLN 26 HA GLN 26 3.859 -3.158 -3.833 151 HB2 GLN 26 HB2 GLN 26 5.510 -0.697 -3.256 152 HB3 GLN 26 HB3 GLN 26 6.159 -2.264 -3.720 153 HG2 GLN 26 HG2 GLN 26 4.832 -2.083 -5.841 154 HG3 GLN 26 HG3 GLN 26 4.448 -0.425 -5.379 155 HE21 GLN 26 HE21 GLN 26 5.506 0.490 -7.104 156 HE22 GLN 26 HE22 GLN 26 7.221 0.466 -7.253 157 H VAL 27 H VAL 27 4.531 -4.554 -2.414 158 HA VAL 27 HA VAL 27 4.038 -3.953 0.370 159 HB VAL 27 HB VAL 27 4.857 -6.587 -0.882 160 HG11 VAL 27 HG11 VAL 27 3.863 -7.601 1.122 161 HG12 VAL 27 HG12 VAL 27 3.551 -5.990 1.764 162 HG13 VAL 27 HG13 VAL 27 5.210 -6.530 1.509 163 HG21 VAL 27 HG21 VAL 27 2.809 -5.864 -1.930 164 HG22 VAL 27 HG22 VAL 27 2.089 -5.518 -0.365 165 HG23 VAL 27 HG23 VAL 27 2.449 -7.186 -0.817 166 H LEU 28 H LEU 28 5.736 -2.798 1.138 167 HA LEU 28 HA LEU 28 8.452 -3.532 0.486 168 HB2 LEU 28 HB2 LEU 28 7.471 -1.567 2.561 169 HB3 LEU 28 HB3 LEU 28 9.112 -1.710 1.978 170 HG LEU 28 HG LEU 28 6.721 -0.689 0.439 171 HD11 LEU 28 HD11 LEU 28 7.940 1.409 0.404 172 HD12 LEU 28 HD12 LEU 28 9.255 0.667 1.313 173 HD13 LEU 28 HD13 LEU 28 7.675 0.860 2.062 174 HD21 LEU 28 HD21 LEU 28 9.562 -1.059 -0.498 175 HD22 LEU 28 HD22 LEU 28 8.288 -0.204 -1.366 176 HD23 LEU 28 HD23 LEU 28 8.146 -1.943 -1.086 177 H ASN 29 H ASN 29 6.274 -3.679 3.217 178 HA ASN 29 HA ASN 29 7.870 -5.819 4.414 179 HB2 ASN 29 HB2 ASN 29 6.596 -3.483 5.903 180 HB3 ASN 29 HB3 ASN 29 7.261 -4.920 6.661 181 HD21 ASN 29 HD21 ASN 29 7.939 -2.179 7.090 182 HD22 ASN 29 HD22 ASN 29 9.616 -2.012 6.725 183 HA PRO 30 HA PRO 30 3.887 -7.833 4.659 184 HB2 PRO 30 HB2 PRO 30 4.232 -8.104 7.610 185 HB3 PRO 30 HB3 PRO 30 3.879 -9.353 6.412 186 HG2 PRO 30 HG2 PRO 30 6.306 -9.189 7.437 187 HG3 PRO 30 HG3 PRO 30 6.104 -9.467 5.694 188 HD2 PRO 30 HD2 PRO 30 6.785 -6.939 7.142 189 HD3 PRO 30 HD3 PRO 30 7.490 -7.579 5.647 190 H TYR 31 H TYR 31 4.555 -5.378 7.098 191 HA TYR 31 HA TYR 31 1.658 -4.909 7.332 192 HB2 TYR 31 HB2 TYR 31 3.854 -3.788 9.082 193 HB3 TYR 31 HB3 TYR 31 2.124 -3.786 9.408 194 HD1 TYR 31 HD1 TYR 31 5.197 -5.557 9.827 195 HD2 TYR 31 HD2 TYR 31 0.988 -6.062 9.690 196 HE1 TYR 31 HE1 TYR 31 5.430 -7.739 10.940 197 HE2 TYR 31 HE2 TYR 31 1.204 -8.242 10.801 198 HH TYR 31 HH TYR 31 3.950 -9.248 12.357 199 H TYR 32 H TYR 32 4.667 -3.437 6.274 200 HA TYR 32 HA TYR 32 3.162 -1.013 5.703 201 HB2 TYR 32 HB2 TYR 32 5.323 -0.681 6.949 202 HB3 TYR 32 HB3 TYR 32 6.174 -1.289 5.535 203 HD1 TYR 32 HD1 TYR 32 6.648 0.138 3.713 204 HD2 TYR 32 HD2 TYR 32 3.914 1.398 6.707 205 HE1 TYR 32 HE1 TYR 32 6.585 2.386 2.707 206 HE2 TYR 32 HE2 TYR 32 3.849 3.642 5.721 207 HH TYR 32 HH TYR 32 5.213 5.051 4.312 208 H SER 33 H SER 33 2.340 -0.871 3.827 209 HA SER 33 HA SER 33 3.866 -1.810 1.528 210 HB2 SER 33 HB2 SER 33 0.859 -1.815 1.934 211 HB3 SER 33 HB3 SER 33 1.692 -2.385 0.491 212 HG SER 33 HG SER 33 2.774 -3.625 2.574 213 H GLN 34 H GLN 34 3.922 -0.261 -0.170 214 HA GLN 34 HA GLN 34 2.791 2.345 0.590 215 HB2 GLN 34 HB2 GLN 34 5.167 2.207 1.196 216 HB3 GLN 34 HB3 GLN 34 5.572 1.820 -0.466 217 HG2 GLN 34 HG2 GLN 34 4.794 3.994 -1.177 218 HG3 GLN 34 HG3 GLN 34 4.313 4.385 0.475 219 HE21 GLN 34 HE21 GLN 34 5.934 4.800 2.002 220 HE22 GLN 34 HE22 GLN 34 7.543 5.194 1.508 221 H CYS 35 H CYS 35 1.997 3.554 -1.029 222 HA CYS 35 HA CYS 35 1.575 2.331 -3.577 223 HB2 CYS 35 HB2 CYS 35 0.856 5.073 -2.564 224 HB3 CYS 35 HB3 CYS 35 0.411 4.463 -4.150 225 H LEU 36 H LEU 36 3.205 2.148 -4.832 226 HA LEU 36 HA LEU 36 4.639 4.536 -5.672 227 HB2 LEU 36 HB2 LEU 36 5.766 1.767 -5.238 228 HB3 LEU 36 HB3 LEU 36 6.621 3.072 -6.026 229 HG LEU 36 HG LEU 36 5.729 3.094 -3.145 230 HD11 LEU 36 HD11 LEU 36 8.456 2.628 -4.348 231 HD12 LEU 36 HD12 LEU 36 7.449 1.418 -3.549 232 HD13 LEU 36 HD13 LEU 36 8.089 2.781 -2.628 233 HD21 LEU 36 HD21 LEU 36 5.890 5.326 -4.126 234 HD22 LEU 36 HD22 LEU 36 7.513 4.960 -4.708 235 HD23 LEU 36 HD23 LEU 36 7.195 5.046 -2.978 236 H1 MAN 101 H1 MAN 101 -5.257 7.856 -5.525 237 H2 MAN 101 H2 MAN 101 -5.986 10.009 -4.516 238 H3 MAN 101 H3 MAN 101 -8.326 9.998 -5.241 239 H4 MAN 101 H4 MAN 101 -7.067 10.244 -7.991 240 H5 MAN 101 H5 MAN 101 -8.720 8.023 -6.647 241 H61 MAN 101 H61 MAN 101 -8.198 6.760 -8.744 242 H62 MAN 101 H62 MAN 101 -7.657 8.263 -9.519 243 HO2 MAN 101 HO2 MAN 101 -5.325 11.224 -6.297 244 HO3 MAN 101 HO3 MAN 101 -8.237 12.135 -6.227 245 HO4 MAN 101 HO4 MAN 101 -9.801 10.287 -7.139 246 HO6 MAN 101 HO6 MAN 101 -9.757 9.085 -9.354 Start of MODEL 16 1 H1 THR 1 H1 THR 1 -9.319 7.755 -3.010 2 H2 THR 1 H2 THR 1 -8.095 8.831 -2.539 3 H3 THR 1 H3 THR 1 -8.701 7.754 -1.423 4 HA THR 1 HA THR 1 -7.736 5.922 -2.650 5 HB THR 1 HB THR 1 -6.068 6.555 -4.402 6 HG21 THR 1 HG21 THR 1 -8.312 5.682 -5.001 7 HG22 THR 1 HG22 THR 1 -7.752 6.826 -6.206 8 HG23 THR 1 HG23 THR 1 -8.949 7.324 -5.009 9 H GLN 2 H GLN 2 -5.353 5.466 -2.446 10 HA GLN 2 HA GLN 2 -4.177 7.136 -0.378 11 HB2 GLN 2 HB2 GLN 2 -4.213 4.568 -0.283 12 HB3 GLN 2 HB3 GLN 2 -3.040 4.605 -1.591 13 HG2 GLN 2 HG2 GLN 2 -1.795 4.382 0.409 14 HG3 GLN 2 HG3 GLN 2 -1.595 6.038 -0.149 15 HE21 GLN 2 HE21 GLN 2 -4.424 4.724 1.499 16 HE22 GLN 2 HE22 GLN 2 -4.267 5.690 2.905 17 H SER 3 H SER 3 -2.333 8.369 -0.768 18 HA SER 3 HA SER 3 -1.794 9.013 -3.503 19 HB2 SER 3 HB2 SER 3 -0.532 10.049 -0.964 20 HB3 SER 3 HB3 SER 3 -0.514 10.818 -2.553 21 HG SER 3 HG SER 3 -2.731 11.073 -2.420 22 H HIS 4 H HIS 4 0.532 9.370 -4.116 23 HA HIS 4 HA HIS 4 2.015 6.967 -4.141 24 HB2 HIS 4 HB2 HIS 4 1.964 8.816 -5.886 25 HB3 HIS 4 HB3 HIS 4 2.924 9.789 -4.792 26 HD1 HIS 4 HD1 HIS 4 5.075 9.965 -6.025 27 HD2 HIS 4 HD2 HIS 4 3.670 6.071 -5.905 28 HE1 HIS 4 HE1 HIS 4 6.832 8.584 -7.160 29 HE2 HIS 4 HE2 HIS 4 5.751 6.364 -7.410 30 H TYR 5 H TYR 5 3.731 6.345 -2.851 31 HA TYR 5 HA TYR 5 5.102 6.178 -1.105 32 HB2 TYR 5 HB2 TYR 5 5.031 9.208 -1.080 33 HB3 TYR 5 HB3 TYR 5 5.989 8.268 0.052 34 HD1 TYR 5 HD1 TYR 5 7.796 6.767 -0.864 35 HD2 TYR 5 HD2 TYR 5 5.833 9.682 -3.232 36 HE1 TYR 5 HE1 TYR 5 9.657 6.699 -2.467 37 HE2 TYR 5 HE2 TYR 5 7.679 9.627 -4.846 38 HH TYR 5 HH TYR 5 10.070 7.197 -4.779 39 H GLY 6 H GLY 6 2.065 6.673 -0.896 40 HA2 GLY 6 HA2 GLY 6 1.915 7.092 1.971 41 HA3 GLY 6 HA3 GLY 6 0.559 6.950 0.856 42 H GLN 7 H GLN 7 0.875 5.514 3.283 43 HA GLN 7 HA GLN 7 1.617 2.826 2.577 44 HB2 GLN 7 HB2 GLN 7 1.898 3.532 4.902 45 HB3 GLN 7 HB3 GLN 7 0.191 3.921 5.015 46 HG2 GLN 7 HG2 GLN 7 -0.323 1.507 4.634 47 HG3 GLN 7 HG3 GLN 7 1.405 1.177 4.723 48 HE21 GLN 7 HE21 GLN 7 1.034 -0.193 6.603 49 HE22 GLN 7 HE22 GLN 7 0.645 0.515 8.097 50 H CYS 8 H CYS 8 0.383 1.955 1.060 51 HA CYS 8 HA CYS 8 -2.365 2.466 0.672 52 HB2 CYS 8 HB2 CYS 8 -2.216 0.400 -0.795 53 HB3 CYS 8 HB3 CYS 8 -1.168 1.749 -1.214 54 H GLY 9 H GLY 9 -0.671 -0.291 2.085 55 HA2 GLY 9 HA2 GLY 9 -2.197 -0.662 4.225 56 HA3 GLY 9 HA3 GLY 9 -3.223 -1.317 2.959 57 H GLY 10 H GLY 10 -0.758 -1.861 5.119 58 HA2 GLY 10 HA2 GLY 10 -0.049 -4.377 3.844 59 HA3 GLY 10 HA3 GLY 10 0.797 -3.647 5.206 60 H ILE 11 H ILE 11 0.475 -5.754 6.261 61 HA ILE 11 HA ILE 11 -2.039 -6.838 6.778 62 HB ILE 11 HB ILE 11 0.494 -7.069 8.435 63 HG12 ILE 11 HG12 ILE 11 -0.695 -8.923 6.352 64 HG13 ILE 11 HG13 ILE 11 0.693 -7.870 6.104 65 HG21 ILE 11 HG21 ILE 11 -2.010 -8.761 8.542 66 HG22 ILE 11 HG22 ILE 11 -1.441 -7.652 9.791 67 HG23 ILE 11 HG23 ILE 11 -0.504 -9.096 9.403 68 HD11 ILE 11 HD11 ILE 11 1.944 -9.138 7.782 69 HD12 ILE 11 HD12 ILE 11 1.372 -10.175 6.474 70 HD13 ILE 11 HD13 ILE 11 0.546 -10.184 8.031 71 H GLY 12 H GLY 12 -3.679 -6.148 7.972 72 HA2 GLY 12 HA2 GLY 12 -4.643 -5.481 10.035 73 HA3 GLY 12 HA3 GLY 12 -3.149 -4.657 10.435 74 H TYR 13 H TYR 13 -3.319 -3.575 7.536 75 HA TYR 13 HA TYR 13 -4.619 -1.136 8.380 76 HB2 TYR 13 HB2 TYR 13 -2.417 -1.167 7.171 77 HB3 TYR 13 HB3 TYR 13 -3.259 -1.777 5.755 78 HD1 TYR 13 HD1 TYR 13 -2.322 1.093 7.680 79 HD2 TYR 13 HD2 TYR 13 -4.935 -0.231 4.608 80 HE1 TYR 13 HE1 TYR 13 -2.637 3.407 6.952 81 HE2 TYR 13 HE2 TYR 13 -5.256 2.095 3.874 82 HH TYR 13 HH TYR 13 -3.224 4.533 4.856 83 H SER 14 H SER 14 -6.756 -0.982 8.179 84 HA SER 14 HA SER 14 -8.106 -2.358 5.990 85 HB2 SER 14 HB2 SER 14 -10.103 -1.979 7.578 86 HB3 SER 14 HB3 SER 14 -8.896 -3.188 8.035 87 HG SER 14 HG SER 14 -9.437 -0.680 9.172 88 H GLY 15 H GLY 15 -6.835 0.475 6.315 89 HA2 GLY 15 HA2 GLY 15 -9.087 2.236 5.838 90 HA3 GLY 15 HA3 GLY 15 -7.391 2.687 5.850 91 HA PRO 16 HA PRO 16 -8.797 2.834 1.485 92 HB2 PRO 16 HB2 PRO 16 -7.271 4.985 0.769 93 HB3 PRO 16 HB3 PRO 16 -8.889 5.123 1.465 94 HG2 PRO 16 HG2 PRO 16 -6.231 5.452 2.771 95 HG3 PRO 16 HG3 PRO 16 -7.740 6.341 3.034 96 HD2 PRO 16 HD2 PRO 16 -6.820 4.368 4.688 97 HD3 PRO 16 HD3 PRO 16 -8.539 4.785 4.515 98 H THR 17 H THR 17 -7.852 1.034 0.772 99 HA THR 17 HA THR 17 -4.992 0.730 0.646 100 HB THR 17 HB THR 17 -5.693 -1.577 -0.194 101 HG1 THR 17 HG1 THR 17 -7.749 -1.469 -0.791 102 HG21 THR 17 HG21 THR 17 -6.682 -0.694 2.527 103 HG22 THR 17 HG22 THR 17 -5.019 -1.116 2.135 104 HG23 THR 17 HG23 THR 17 -6.278 -2.349 2.062 105 H VAL 18 H VAL 18 -7.309 1.996 -1.390 106 HA VAL 18 HA VAL 18 -6.173 0.918 -3.841 107 HB VAL 18 HB VAL 18 -8.310 3.030 -3.550 108 HG11 VAL 18 HG11 VAL 18 -7.589 1.278 -5.886 109 HG12 VAL 18 HG12 VAL 18 -7.299 3.012 -5.742 110 HG13 VAL 18 HG13 VAL 18 -8.951 2.400 -5.833 111 HG21 VAL 18 HG21 VAL 18 -9.961 1.247 -3.921 112 HG22 VAL 18 HG22 VAL 18 -9.054 1.006 -2.424 113 HG23 VAL 18 HG23 VAL 18 -8.670 0.049 -3.852 114 H CYS 19 H CYS 19 -4.339 1.807 -4.508 115 HA CYS 19 HA CYS 19 -3.504 4.420 -3.726 116 HB2 CYS 19 HB2 CYS 19 -2.329 2.524 -5.761 117 HB3 CYS 19 HB3 CYS 19 -1.553 3.973 -5.147 118 H ALA 20 H ALA 20 -2.686 5.956 -5.362 119 HA ALA 20 HA ALA 20 -4.643 6.939 -7.081 120 HB1 ALA 20 HB1 ALA 20 -2.885 8.415 -7.904 121 HB2 ALA 20 HB2 ALA 20 -1.656 7.377 -7.182 122 HB3 ALA 20 HB3 ALA 20 -2.767 8.269 -6.148 123 H SER 21 H SER 21 -4.947 6.739 -9.280 124 HA SER 21 HA SER 21 -4.332 4.304 -10.454 125 HB2 SER 21 HB2 SER 21 -5.138 6.886 -11.795 126 HB3 SER 21 HB3 SER 21 -5.451 5.238 -12.356 127 HG SER 21 HG SER 21 -7.217 6.293 -11.265 128 H GLY 22 H GLY 22 -2.468 3.666 -11.320 129 HA2 GLY 22 HA2 GLY 22 -0.676 4.060 -12.907 130 HA3 GLY 22 HA3 GLY 22 -0.611 5.717 -12.305 131 H THR 23 H THR 23 -1.028 4.594 -9.522 132 HA THR 23 HA THR 23 1.746 3.731 -9.110 133 HB THR 23 HB THR 23 1.488 4.425 -6.740 134 HG1 THR 23 HG1 THR 23 -1.154 4.787 -7.536 135 HG21 THR 23 HG21 THR 23 1.349 6.828 -7.037 136 HG22 THR 23 HG22 THR 23 0.688 6.604 -8.665 137 HG23 THR 23 HG23 THR 23 2.335 6.080 -8.292 138 H THR 24 H THR 24 2.107 1.893 -7.755 139 HA THR 24 HA THR 24 -0.312 0.271 -7.450 140 HB THR 24 HB THR 24 1.160 -1.722 -7.785 141 HG1 THR 24 HG1 THR 24 3.097 0.258 -7.909 142 HG21 THR 24 HG21 THR 24 1.073 0.255 -10.067 143 HG22 THR 24 HG22 THR 24 -0.205 -0.877 -9.627 144 HG23 THR 24 HG23 THR 24 1.343 -1.478 -10.226 145 H CYS 25 H CYS 25 -0.626 -0.728 -5.554 146 HA CYS 25 HA CYS 25 0.925 0.017 -3.294 147 HB2 CYS 25 HB2 CYS 25 -1.484 -0.510 -3.098 148 HB3 CYS 25 HB3 CYS 25 -1.157 -2.160 -3.616 149 H GLN 26 H GLN 26 2.895 -0.727 -3.009 150 HA GLN 26 HA GLN 26 3.437 -3.493 -3.730 151 HB2 GLN 26 HB2 GLN 26 5.205 -1.068 -3.807 152 HB3 GLN 26 HB3 GLN 26 5.873 -2.697 -3.792 153 HG2 GLN 26 HG2 GLN 26 4.679 -3.240 -5.836 154 HG3 GLN 26 HG3 GLN 26 3.923 -1.654 -5.831 155 HE21 GLN 26 HE21 GLN 26 5.022 0.073 -6.618 156 HE22 GLN 26 HE22 GLN 26 6.573 -0.033 -7.332 157 H VAL 27 H VAL 27 4.315 -4.826 -2.333 158 HA VAL 27 HA VAL 27 4.040 -4.072 0.438 159 HB VAL 27 HB VAL 27 4.777 -6.765 -0.735 160 HG11 VAL 27 HG11 VAL 27 4.020 -7.673 1.420 161 HG12 VAL 27 HG12 VAL 27 3.757 -6.031 2.011 162 HG13 VAL 27 HG13 VAL 27 5.387 -6.572 1.607 163 HG21 VAL 27 HG21 VAL 27 2.079 -5.697 0.070 164 HG22 VAL 27 HG22 VAL 27 2.409 -7.368 -0.386 165 HG23 VAL 27 HG23 VAL 27 2.607 -6.073 -1.569 166 H LEU 28 H LEU 28 5.741 -2.837 0.983 167 HA LEU 28 HA LEU 28 8.459 -3.612 0.392 168 HB2 LEU 28 HB2 LEU 28 7.413 -1.577 2.373 169 HB3 LEU 28 HB3 LEU 28 9.075 -1.750 1.863 170 HG LEU 28 HG LEU 28 6.779 -0.829 0.121 171 HD11 LEU 28 HD11 LEU 28 9.128 0.652 1.287 172 HD12 LEU 28 HD12 LEU 28 7.449 0.776 1.800 173 HD13 LEU 28 HD13 LEU 28 7.919 1.319 0.187 174 HD21 LEU 28 HD21 LEU 28 8.452 -2.032 -1.175 175 HD22 LEU 28 HD22 LEU 28 9.714 -1.025 -0.429 176 HD23 LEU 28 HD23 LEU 28 8.508 -0.285 -1.484 177 H ASN 29 H ASN 29 6.476 -3.289 3.282 178 HA ASN 29 HA ASN 29 8.070 -5.351 4.629 179 HB2 ASN 29 HB2 ASN 29 6.732 -2.887 5.800 180 HB3 ASN 29 HB3 ASN 29 7.508 -4.152 6.730 181 HD21 ASN 29 HD21 ASN 29 8.031 -1.291 6.598 182 HD22 ASN 29 HD22 ASN 29 9.686 -1.139 6.164 183 HA PRO 30 HA PRO 30 4.192 -7.473 5.300 184 HB2 PRO 30 HB2 PRO 30 4.511 -7.184 8.243 185 HB3 PRO 30 HB3 PRO 30 4.233 -8.642 7.287 186 HG2 PRO 30 HG2 PRO 30 6.630 -8.148 8.284 187 HG3 PRO 30 HG3 PRO 30 6.471 -8.794 6.638 188 HD2 PRO 30 HD2 PRO 30 7.052 -6.013 7.547 189 HD3 PRO 30 HD3 PRO 30 7.751 -6.919 6.186 190 H TYR 31 H TYR 31 4.609 -4.761 7.601 191 HA TYR 31 HA TYR 31 1.716 -4.398 7.479 192 HB2 TYR 31 HB2 TYR 31 3.717 -3.113 9.357 193 HB3 TYR 31 HB3 TYR 31 1.967 -3.000 9.452 194 HD1 TYR 31 HD1 TYR 31 4.876 -5.071 10.181 195 HD2 TYR 31 HD2 TYR 31 0.636 -4.973 10.056 196 HE1 TYR 31 HE1 TYR 31 4.786 -7.111 11.556 197 HE2 TYR 31 HE2 TYR 31 0.530 -6.980 11.417 198 HH TYR 31 HH TYR 31 1.805 -8.807 12.028 199 H TYR 32 H TYR 32 4.713 -2.954 6.521 200 HA TYR 32 HA TYR 32 3.229 -0.586 5.700 201 HB2 TYR 32 HB2 TYR 32 5.350 -0.204 6.976 202 HB3 TYR 32 HB3 TYR 32 6.231 -0.948 5.647 203 HD1 TYR 32 HD1 TYR 32 6.904 0.341 3.767 204 HD2 TYR 32 HD2 TYR 32 3.951 1.867 6.436 205 HE1 TYR 32 HE1 TYR 32 6.952 2.493 2.599 206 HE2 TYR 32 HE2 TYR 32 4.007 4.020 5.271 207 HH TYR 32 HH TYR 32 5.523 5.309 3.846 208 H SER 33 H SER 33 2.431 -0.633 3.815 209 HA SER 33 HA SER 33 3.964 -1.748 1.608 210 HB2 SER 33 HB2 SER 33 0.961 -1.710 2.052 211 HB3 SER 33 HB3 SER 33 1.736 -2.348 0.612 212 HG SER 33 HG SER 33 2.857 -3.488 2.750 213 H GLN 34 H GLN 34 3.982 -0.326 -0.210 214 HA GLN 34 HA GLN 34 2.990 2.360 0.452 215 HB2 GLN 34 HB2 GLN 34 5.375 2.158 0.969 216 HB3 GLN 34 HB3 GLN 34 5.691 1.627 -0.673 217 HG2 GLN 34 HG2 GLN 34 5.042 3.786 -1.526 218 HG3 GLN 34 HG3 GLN 34 4.612 4.327 0.098 219 HE21 GLN 34 HE21 GLN 34 6.278 4.739 1.583 220 HE22 GLN 34 HE22 GLN 34 7.889 5.021 1.061 221 H CYS 35 H CYS 35 2.190 3.528 -1.196 222 HA CYS 35 HA CYS 35 1.633 2.225 -3.694 223 HB2 CYS 35 HB2 CYS 35 1.141 5.071 -2.827 224 HB3 CYS 35 HB3 CYS 35 0.513 4.353 -4.301 225 H LEU 36 H LEU 36 3.189 2.008 -5.078 226 HA LEU 36 HA LEU 36 4.743 4.335 -5.879 227 HB2 LEU 36 HB2 LEU 36 5.713 1.499 -5.518 228 HB3 LEU 36 HB3 LEU 36 6.611 2.726 -6.383 229 HG LEU 36 HG LEU 36 5.893 2.864 -3.455 230 HD11 LEU 36 HD11 LEU 36 8.517 2.204 -4.795 231 HD12 LEU 36 HD12 LEU 36 7.484 1.073 -3.914 232 HD13 LEU 36 HD13 LEU 36 8.252 2.409 -3.063 233 HD21 LEU 36 HD21 LEU 36 7.504 4.717 -3.420 234 HD22 LEU 36 HD22 LEU 36 6.138 5.065 -4.473 235 HD23 LEU 36 HD23 LEU 36 7.689 4.586 -5.169 236 H1 MAN 101 H1 MAN 101 -4.902 8.169 -5.397 237 H2 MAN 101 H2 MAN 101 -4.881 10.421 -4.274 238 H3 MAN 101 H3 MAN 101 -7.074 11.236 -4.883 239 H4 MAN 101 H4 MAN 101 -5.994 11.148 -7.735 240 H5 MAN 101 H5 MAN 101 -8.197 9.541 -6.330 241 H61 MAN 101 H61 MAN 101 -7.140 9.459 -9.178 242 H62 MAN 101 H62 MAN 101 -8.771 9.985 -8.697 243 HO2 MAN 101 HO2 MAN 101 -4.384 10.298 -7.097 244 HO3 MAN 101 HO3 MAN 101 -4.985 12.605 -6.283 245 HO4 MAN 101 HO4 MAN 101 -7.360 12.904 -7.210 246 HO6 MAN 101 HO6 MAN 101 -7.719 7.410 -8.014 Start of MODEL 17 1 H1 THR 1 H1 THR 1 -8.665 6.742 -1.570 2 H2 THR 1 H2 THR 1 -9.345 7.057 -3.079 3 H3 THR 1 H3 THR 1 -8.352 8.209 -2.314 4 HA THR 1 HA THR 1 -7.415 5.575 -3.204 5 HB THR 1 HB THR 1 -6.093 6.901 -4.841 6 HG21 THR 1 HG21 THR 1 -9.105 7.235 -5.092 7 HG22 THR 1 HG22 THR 1 -8.201 5.798 -5.568 8 HG23 THR 1 HG23 THR 1 -7.978 7.324 -6.436 9 H GLN 2 H GLN 2 -5.321 5.150 -2.564 10 HA GLN 2 HA GLN 2 -4.171 6.994 -0.646 11 HB2 GLN 2 HB2 GLN 2 -4.282 4.563 -0.109 12 HB3 GLN 2 HB3 GLN 2 -3.261 4.233 -1.501 13 HG2 GLN 2 HG2 GLN 2 -1.987 4.208 0.574 14 HG3 GLN 2 HG3 GLN 2 -1.451 5.495 -0.502 15 HE21 GLN 2 HE21 GLN 2 -3.002 4.727 2.445 16 HE22 GLN 2 HE22 GLN 2 -3.043 6.314 3.120 17 H SER 3 H SER 3 -2.487 8.219 -1.121 18 HA SER 3 HA SER 3 -1.783 8.450 -3.894 19 HB2 SER 3 HB2 SER 3 -0.956 10.102 -1.510 20 HB3 SER 3 HB3 SER 3 -0.801 10.554 -3.212 21 HG SER 3 HG SER 3 -3.058 10.402 -3.388 22 H HIS 4 H HIS 4 0.560 9.063 -4.325 23 HA HIS 4 HA HIS 4 2.225 6.833 -4.050 24 HB2 HIS 4 HB2 HIS 4 2.286 8.602 -5.838 25 HB3 HIS 4 HB3 HIS 4 3.025 9.685 -4.672 26 HD1 HIS 4 HD1 HIS 4 5.446 9.884 -5.218 27 HD2 HIS 4 HD2 HIS 4 4.028 6.039 -5.831 28 HE1 HIS 4 HE1 HIS 4 7.414 8.556 -6.022 29 HE2 HIS 4 HE2 HIS 4 6.487 6.333 -6.610 30 H TYR 5 H TYR 5 3.573 6.231 -2.482 31 HA TYR 5 HA TYR 5 4.806 6.151 -0.642 32 HB2 TYR 5 HB2 TYR 5 4.875 9.121 -0.941 33 HB3 TYR 5 HB3 TYR 5 5.380 8.426 0.597 34 HD1 TYR 5 HD1 TYR 5 6.027 8.254 -3.058 35 HD2 TYR 5 HD2 TYR 5 7.538 7.606 0.849 36 HE1 TYR 5 HE1 TYR 5 8.248 7.817 -3.996 37 HE2 TYR 5 HE2 TYR 5 9.770 7.164 -0.076 38 HH TYR 5 HH TYR 5 10.535 7.900 -3.302 39 H GLY 6 H GLY 6 1.768 6.589 -0.724 40 HA2 GLY 6 HA2 GLY 6 1.420 6.894 2.147 41 HA3 GLY 6 HA3 GLY 6 0.139 6.778 0.937 42 H GLN 7 H GLN 7 0.212 5.211 3.262 43 HA GLN 7 HA GLN 7 1.196 2.594 2.520 44 HB2 GLN 7 HB2 GLN 7 1.256 3.515 4.865 45 HB3 GLN 7 HB3 GLN 7 -0.501 3.394 4.868 46 HG2 GLN 7 HG2 GLN 7 -0.386 0.998 4.674 47 HG3 GLN 7 HG3 GLN 7 1.374 1.066 4.536 48 HE21 GLN 7 HE21 GLN 7 -0.197 -0.316 6.554 49 HE22 GLN 7 HE22 GLN 7 0.246 0.388 8.060 50 H CYS 8 H CYS 8 0.054 1.403 1.203 51 HA CYS 8 HA CYS 8 -2.708 1.978 0.688 52 HB2 CYS 8 HB2 CYS 8 -2.418 0.008 -0.939 53 HB3 CYS 8 HB3 CYS 8 -1.527 1.496 -1.250 54 H GLY 9 H GLY 9 -1.086 -1.075 1.685 55 HA2 GLY 9 HA2 GLY 9 -3.160 -1.582 3.565 56 HA3 GLY 9 HA3 GLY 9 -3.444 -2.472 2.084 57 H GLY 10 H GLY 10 -1.179 -1.913 4.659 58 HA2 GLY 10 HA2 GLY 10 0.081 -4.505 4.151 59 HA3 GLY 10 HA3 GLY 10 0.705 -3.249 5.219 60 H ILE 11 H ILE 11 0.709 -5.498 6.493 61 HA ILE 11 HA ILE 11 -1.686 -6.415 7.564 62 HB ILE 11 HB ILE 11 1.093 -6.519 8.790 63 HG12 ILE 11 HG12 ILE 11 -0.515 -8.609 7.298 64 HG13 ILE 11 HG13 ILE 11 0.828 -7.684 6.637 65 HG21 ILE 11 HG21 ILE 11 -1.398 -8.019 9.631 66 HG22 ILE 11 HG22 ILE 11 -0.572 -6.769 10.555 67 HG23 ILE 11 HG23 ILE 11 0.232 -8.310 10.240 68 HD11 ILE 11 HD11 ILE 11 2.338 -8.730 8.246 69 HD12 ILE 11 HD12 ILE 11 1.513 -9.930 7.252 70 HD13 ILE 11 HD13 ILE 11 0.987 -9.650 8.913 71 H GLY 12 H GLY 12 -3.090 -5.522 8.788 72 HA2 GLY 12 HA2 GLY 12 -3.804 -4.557 10.823 73 HA3 GLY 12 HA3 GLY 12 -2.266 -3.710 10.932 74 H TYR 13 H TYR 13 -3.076 -3.254 7.831 75 HA TYR 13 HA TYR 13 -4.357 -0.694 8.495 76 HB2 TYR 13 HB2 TYR 13 -2.082 -0.688 7.414 77 HB3 TYR 13 HB3 TYR 13 -2.813 -1.439 6.005 78 HD1 TYR 13 HD1 TYR 13 -2.415 1.622 7.918 79 HD2 TYR 13 HD2 TYR 13 -4.315 -0.137 4.556 80 HE1 TYR 13 HE1 TYR 13 -2.928 3.855 7.050 81 HE2 TYR 13 HE2 TYR 13 -4.837 2.093 3.680 82 HH TYR 13 HH TYR 13 -5.012 4.265 4.321 83 H SER 14 H SER 14 -6.365 -0.301 7.704 84 HA SER 14 HA SER 14 -7.338 -1.913 5.475 85 HB2 SER 14 HB2 SER 14 -9.519 -2.149 6.799 86 HB3 SER 14 HB3 SER 14 -8.152 -3.141 7.307 87 HG SER 14 HG SER 14 -9.229 -0.829 8.509 88 H GLY 15 H GLY 15 -6.573 0.984 6.045 89 HA2 GLY 15 HA2 GLY 15 -8.997 2.506 5.622 90 HA3 GLY 15 HA3 GLY 15 -7.353 3.119 5.600 91 HA PRO 16 HA PRO 16 -8.492 3.367 1.132 92 HB2 PRO 16 HB2 PRO 16 -6.352 5.030 0.541 93 HB3 PRO 16 HB3 PRO 16 -7.963 5.593 0.992 94 HG2 PRO 16 HG2 PRO 16 -5.520 5.296 2.683 95 HG3 PRO 16 HG3 PRO 16 -6.731 6.589 2.683 96 HD2 PRO 16 HD2 PRO 16 -6.728 4.697 4.568 97 HD3 PRO 16 HD3 PRO 16 -8.248 5.336 3.922 98 H THR 17 H THR 17 -7.958 1.350 0.447 99 HA THR 17 HA THR 17 -5.249 0.402 0.566 100 HB THR 17 HB THR 17 -6.502 -1.670 -0.314 101 HG1 THR 17 HG1 THR 17 -8.755 -1.560 0.078 102 HG21 THR 17 HG21 THR 17 -7.184 -0.514 2.405 103 HG22 THR 17 HG22 THR 17 -5.727 -1.428 2.021 104 HG23 THR 17 HG23 THR 17 -7.304 -2.214 1.958 105 H VAL 18 H VAL 18 -7.560 1.606 -1.691 106 HA VAL 18 HA VAL 18 -6.188 0.588 -4.026 107 HB VAL 18 HB VAL 18 -8.479 2.581 -3.822 108 HG11 VAL 18 HG11 VAL 18 -7.376 1.173 -6.253 109 HG12 VAL 18 HG12 VAL 18 -7.225 2.891 -5.895 110 HG13 VAL 18 HG13 VAL 18 -8.815 2.193 -6.218 111 HG21 VAL 18 HG21 VAL 18 -8.481 -0.346 -4.554 112 HG22 VAL 18 HG22 VAL 18 -9.885 0.719 -4.550 113 HG23 VAL 18 HG23 VAL 18 -9.061 0.335 -3.037 114 H CYS 19 H CYS 19 -4.557 1.544 -4.961 115 HA CYS 19 HA CYS 19 -3.561 4.024 -3.947 116 HB2 CYS 19 HB2 CYS 19 -2.541 2.222 -6.133 117 HB3 CYS 19 HB3 CYS 19 -1.695 3.644 -5.533 118 H ALA 20 H ALA 20 -2.904 5.781 -5.277 119 HA ALA 20 HA ALA 20 -4.978 6.768 -6.915 120 HB1 ALA 20 HB1 ALA 20 -3.605 8.210 -5.495 121 HB2 ALA 20 HB2 ALA 20 -3.542 8.723 -7.184 122 HB3 ALA 20 HB3 ALA 20 -2.191 7.832 -6.481 123 H SER 21 H SER 21 -4.670 7.598 -9.069 124 HA SER 21 HA SER 21 -4.065 5.689 -10.954 125 HB2 SER 21 HB2 SER 21 -4.094 8.685 -11.300 126 HB3 SER 21 HB3 SER 21 -4.335 7.482 -12.570 127 HG SER 21 HG SER 21 -5.992 6.927 -10.592 128 H GLY 22 H GLY 22 -2.175 4.858 -11.461 129 HA2 GLY 22 HA2 GLY 22 -0.132 5.173 -12.661 130 HA3 GLY 22 HA3 GLY 22 0.098 6.676 -11.780 131 H THR 23 H THR 23 -0.994 4.837 -9.426 132 HA THR 23 HA THR 23 1.688 3.846 -8.850 133 HB THR 23 HB THR 23 1.250 4.249 -6.437 134 HG1 THR 23 HG1 THR 23 -1.223 5.060 -7.443 135 HG21 THR 23 HG21 THR 23 2.492 5.909 -7.715 136 HG22 THR 23 HG22 THR 23 1.482 6.698 -6.500 137 HG23 THR 23 HG23 THR 23 0.982 6.689 -8.192 138 H THR 24 H THR 24 1.916 1.933 -7.765 139 HA THR 24 HA THR 24 -0.496 0.290 -7.546 140 HB THR 24 HB THR 24 1.089 -1.667 -7.990 141 HG1 THR 24 HG1 THR 24 2.952 0.301 -8.107 142 HG21 THR 24 HG21 THR 24 0.947 -1.410 -10.443 143 HG22 THR 24 HG22 THR 24 0.559 0.297 -10.229 144 HG23 THR 24 HG23 THR 24 -0.552 -0.939 -9.644 145 H CYS 25 H CYS 25 -0.571 -1.145 -5.770 146 HA CYS 25 HA CYS 25 0.829 -0.154 -3.471 147 HB2 CYS 25 HB2 CYS 25 -1.534 -0.831 -3.305 148 HB3 CYS 25 HB3 CYS 25 -1.107 -2.468 -3.783 149 H GLN 26 H GLN 26 2.830 -0.804 -2.969 150 HA GLN 26 HA GLN 26 3.580 -3.552 -3.678 151 HB2 GLN 26 HB2 GLN 26 5.390 -1.173 -3.241 152 HB3 GLN 26 HB3 GLN 26 5.906 -2.796 -3.664 153 HG2 GLN 26 HG2 GLN 26 4.636 -2.601 -5.767 154 HG3 GLN 26 HG3 GLN 26 4.277 -0.924 -5.352 155 HE21 GLN 26 HE21 GLN 26 5.361 -0.059 -7.066 156 HE22 GLN 26 HE22 GLN 26 7.079 -0.109 -7.201 157 H VAL 27 H VAL 27 4.210 -4.870 -2.099 158 HA VAL 27 HA VAL 27 3.865 -3.901 0.601 159 HB VAL 27 HB VAL 27 4.452 -6.721 -0.365 160 HG11 VAL 27 HG11 VAL 27 5.009 -6.395 1.975 161 HG12 VAL 27 HG12 VAL 27 3.579 -7.419 1.821 162 HG13 VAL 27 HG13 VAL 27 3.406 -5.729 2.281 163 HG21 VAL 27 HG21 VAL 27 2.052 -7.161 -0.064 164 HG22 VAL 27 HG22 VAL 27 2.347 -5.940 -1.306 165 HG23 VAL 27 HG23 VAL 27 1.794 -5.454 0.297 166 H LEU 28 H LEU 28 5.628 -2.708 1.061 167 HA LEU 28 HA LEU 28 8.303 -3.467 0.345 168 HB2 LEU 28 HB2 LEU 28 7.429 -1.444 2.407 169 HB3 LEU 28 HB3 LEU 28 9.012 -1.574 1.681 170 HG LEU 28 HG LEU 28 6.469 -0.661 0.331 171 HD11 LEU 28 HD11 LEU 28 9.025 0.786 0.989 172 HD12 LEU 28 HD12 LEU 28 7.492 0.953 1.837 173 HD13 LEU 28 HD13 LEU 28 7.628 1.466 0.155 174 HD21 LEU 28 HD21 LEU 28 9.240 -0.955 -0.796 175 HD22 LEU 28 HD22 LEU 28 7.878 -0.146 -1.568 176 HD23 LEU 28 HD23 LEU 28 7.808 -1.893 -1.274 177 H ASN 29 H ASN 29 6.305 -3.567 3.205 178 HA ASN 29 HA ASN 29 8.121 -5.471 4.449 179 HB2 ASN 29 HB2 ASN 29 6.873 -3.092 5.871 180 HB3 ASN 29 HB3 ASN 29 7.832 -4.363 6.619 181 HD21 ASN 29 HD21 ASN 29 7.853 -1.392 4.919 182 HD22 ASN 29 HD22 ASN 29 9.550 -1.111 4.972 183 HA PRO 30 HA PRO 30 4.343 -7.630 5.229 184 HB2 PRO 30 HB2 PRO 30 4.853 -7.495 8.170 185 HB3 PRO 30 HB3 PRO 30 4.485 -8.897 7.159 186 HG2 PRO 30 HG2 PRO 30 6.962 -8.499 7.991 187 HG3 PRO 30 HG3 PRO 30 6.657 -9.032 6.329 188 HD2 PRO 30 HD2 PRO 30 7.356 -6.304 7.342 189 HD3 PRO 30 HD3 PRO 30 7.930 -7.120 5.881 190 H TYR 31 H TYR 31 4.850 -5.013 7.624 191 HA TYR 31 HA TYR 31 1.953 -4.647 7.738 192 HB2 TYR 31 HB2 TYR 31 4.166 -3.334 9.341 193 HB3 TYR 31 HB3 TYR 31 2.458 -3.003 9.528 194 HD1 TYR 31 HD1 TYR 31 4.845 -5.873 9.611 195 HD2 TYR 31 HD2 TYR 31 1.301 -4.136 11.172 196 HE1 TYR 31 HE1 TYR 31 4.701 -7.666 11.278 197 HE2 TYR 31 HE2 TYR 31 1.150 -5.921 12.837 198 HH TYR 31 HH TYR 31 1.912 -8.156 13.164 199 H TYR 32 H TYR 32 4.804 -3.173 6.408 200 HA TYR 32 HA TYR 32 3.191 -0.849 5.715 201 HB2 TYR 32 HB2 TYR 32 5.436 -0.465 6.821 202 HB3 TYR 32 HB3 TYR 32 6.149 -1.097 5.350 203 HD1 TYR 32 HD1 TYR 32 3.651 1.436 6.377 204 HD2 TYR 32 HD2 TYR 32 6.758 0.376 3.697 205 HE1 TYR 32 HE1 TYR 32 3.464 3.629 5.328 206 HE2 TYR 32 HE2 TYR 32 6.593 2.568 2.614 207 HH TYR 32 HH TYR 32 4.793 5.130 4.044 208 H SER 33 H SER 33 2.227 -0.929 3.878 209 HA SER 33 HA SER 33 3.701 -1.883 1.538 210 HB2 SER 33 HB2 SER 33 0.700 -1.876 2.003 211 HB3 SER 33 HB3 SER 33 1.529 -2.528 0.588 212 HG SER 33 HG SER 33 2.650 -3.722 2.603 213 H GLN 34 H GLN 34 3.744 -0.373 -0.159 214 HA GLN 34 HA GLN 34 2.603 2.254 0.519 215 HB2 GLN 34 HB2 GLN 34 4.985 2.098 1.128 216 HB3 GLN 34 HB3 GLN 34 5.367 1.660 -0.527 217 HG2 GLN 34 HG2 GLN 34 4.629 3.851 -1.285 218 HG3 GLN 34 HG3 GLN 34 4.192 4.280 0.370 219 HE21 GLN 34 HE21 GLN 34 5.838 4.670 1.860 220 HE22 GLN 34 HE22 GLN 34 7.468 4.944 1.367 221 H CYS 35 H CYS 35 1.828 3.403 -1.181 222 HA CYS 35 HA CYS 35 1.474 2.063 -3.677 223 HB2 CYS 35 HB2 CYS 35 0.714 4.855 -2.814 224 HB3 CYS 35 HB3 CYS 35 0.291 4.153 -4.372 225 H LEU 36 H LEU 36 2.987 1.881 -5.055 226 HA LEU 36 HA LEU 36 4.605 4.151 -5.873 227 HB2 LEU 36 HB2 LEU 36 5.571 1.335 -5.343 228 HB3 LEU 36 HB3 LEU 36 6.519 2.600 -6.088 229 HG LEU 36 HG LEU 36 5.483 2.712 -3.255 230 HD11 LEU 36 HD11 LEU 36 8.233 2.046 -4.288 231 HD12 LEU 36 HD12 LEU 36 7.101 0.898 -3.567 232 HD13 LEU 36 HD13 LEU 36 7.764 2.211 -2.594 233 HD21 LEU 36 HD21 LEU 36 5.878 4.899 -4.263 234 HD22 LEU 36 HD22 LEU 36 7.496 4.386 -4.745 235 HD23 LEU 36 HD23 LEU 36 7.091 4.536 -3.035 236 H1 MAN 101 H1 MAN 101 -5.827 8.903 -6.053 237 H2 MAN 101 H2 MAN 101 -6.666 11.252 -4.335 238 H3 MAN 101 H3 MAN 101 -7.118 12.361 -6.300 239 H4 MAN 101 H4 MAN 101 -5.293 10.336 -7.669 240 H5 MAN 101 H5 MAN 101 -8.322 10.695 -8.006 241 H61 MAN 101 H61 MAN 101 -7.070 9.290 -9.617 242 H62 MAN 101 H62 MAN 101 -8.299 8.393 -8.704 243 HO2 MAN 101 HO2 MAN 101 -4.382 11.622 -4.616 244 HO3 MAN 101 HO3 MAN 101 -4.253 12.102 -6.362 245 HO4 MAN 101 HO4 MAN 101 -5.356 12.413 -8.631 246 HO6 MAN 101 HO6 MAN 101 -6.687 7.108 -8.258 Start of MODEL 18 1 H1 THR 1 H1 THR 1 -9.347 6.365 -2.633 2 H2 THR 1 H2 THR 1 -8.414 7.748 -2.363 3 H3 THR 1 H3 THR 1 -8.429 6.526 -1.219 4 HA THR 1 HA THR 1 -7.315 5.073 -2.794 5 HB THR 1 HB THR 1 -6.309 6.301 -4.787 6 HG21 THR 1 HG21 THR 1 -8.331 5.904 -6.178 7 HG22 THR 1 HG22 THR 1 -9.332 5.918 -4.727 8 HG23 THR 1 HG23 THR 1 -8.151 4.633 -4.970 9 H GLN 2 H GLN 2 -5.201 4.889 -2.201 10 HA GLN 2 HA GLN 2 -4.167 7.074 -0.658 11 HB2 GLN 2 HB2 GLN 2 -4.003 4.673 0.073 12 HB3 GLN 2 HB3 GLN 2 -2.842 4.421 -1.225 13 HG2 GLN 2 HG2 GLN 2 -1.758 4.781 0.938 14 HG3 GLN 2 HG3 GLN 2 -1.338 6.031 -0.237 15 HE21 GLN 2 HE21 GLN 2 -3.098 5.311 2.643 16 HE22 GLN 2 HE22 GLN 2 -3.416 6.938 3.129 17 H SER 3 H SER 3 -2.333 8.224 -1.073 18 HA SER 3 HA SER 3 -1.854 8.562 -3.905 19 HB2 SER 3 HB2 SER 3 -0.996 10.238 -1.550 20 HB3 SER 3 HB3 SER 3 -0.950 10.712 -3.254 21 HG SER 3 HG SER 3 -3.357 9.828 -2.806 22 H HIS 4 H HIS 4 0.502 9.358 -4.402 23 HA HIS 4 HA HIS 4 2.171 7.089 -4.215 24 HB2 HIS 4 HB2 HIS 4 2.022 8.819 -6.094 25 HB3 HIS 4 HB3 HIS 4 2.955 9.886 -5.058 26 HD1 HIS 4 HD1 HIS 4 5.155 10.018 -6.151 27 HD2 HIS 4 HD2 HIS 4 3.724 6.139 -6.022 28 HE1 HIS 4 HE1 HIS 4 6.971 8.601 -7.146 29 HE2 HIS 4 HE2 HIS 4 6.067 6.284 -7.158 30 H TYR 5 H TYR 5 3.639 6.562 -2.767 31 HA TYR 5 HA TYR 5 4.986 6.499 -1.018 32 HB2 TYR 5 HB2 TYR 5 5.064 9.513 -1.234 33 HB3 TYR 5 HB3 TYR 5 5.894 8.624 0.043 34 HD1 TYR 5 HD1 TYR 5 5.842 9.376 -3.543 35 HD2 TYR 5 HD2 TYR 5 7.842 7.317 -0.424 36 HE1 TYR 5 HE1 TYR 5 7.780 9.038 -5.014 37 HE2 TYR 5 HE2 TYR 5 9.786 6.968 -1.881 38 HH TYR 5 HH TYR 5 10.144 8.614 -4.828 39 H GLY 6 H GLY 6 1.992 6.982 -0.919 40 HA2 GLY 6 HA2 GLY 6 1.815 7.462 1.955 41 HA3 GLY 6 HA3 GLY 6 0.458 7.357 0.828 42 H GLN 7 H GLN 7 0.869 5.852 3.296 43 HA GLN 7 HA GLN 7 1.582 3.206 2.479 44 HB2 GLN 7 HB2 GLN 7 2.022 3.893 4.780 45 HB3 GLN 7 HB3 GLN 7 0.320 4.235 5.032 46 HG2 GLN 7 HG2 GLN 7 -0.209 1.867 4.806 47 HG3 GLN 7 HG3 GLN 7 1.488 1.503 4.502 48 HE21 GLN 7 HE21 GLN 7 -0.323 0.578 6.640 49 HE22 GLN 7 HE22 GLN 7 0.448 1.011 8.114 50 H CYS 8 H CYS 8 0.294 2.245 1.062 51 HA CYS 8 HA CYS 8 -2.539 2.530 0.998 52 HB2 CYS 8 HB2 CYS 8 -2.365 0.527 -0.555 53 HB3 CYS 8 HB3 CYS 8 -1.459 1.952 -1.053 54 H GLY 9 H GLY 9 -0.244 0.429 2.477 55 HA2 GLY 9 HA2 GLY 9 -0.896 -0.330 4.668 56 HA3 GLY 9 HA3 GLY 9 -2.502 -0.561 4.015 57 H GLY 10 H GLY 10 -0.072 -2.086 5.215 58 HA2 GLY 10 HA2 GLY 10 -0.316 -4.453 3.560 59 HA3 GLY 10 HA3 GLY 10 0.841 -4.196 4.878 60 H ILE 11 H ILE 11 0.019 -6.197 5.781 61 HA ILE 11 HA ILE 11 -2.600 -6.693 6.550 62 HB ILE 11 HB ILE 11 -0.074 -7.436 8.067 63 HG12 ILE 11 HG12 ILE 11 -1.572 -8.971 5.928 64 HG13 ILE 11 HG13 ILE 11 -0.036 -8.142 5.695 65 HG21 ILE 11 HG21 ILE 11 -1.391 -9.301 8.965 66 HG22 ILE 11 HG22 ILE 11 -2.811 -8.709 8.107 67 HG23 ILE 11 HG23 ILE 11 -2.107 -7.747 9.406 68 HD11 ILE 11 HD11 ILE 11 1.008 -9.652 7.310 69 HD12 ILE 11 HD12 ILE 11 0.278 -10.530 5.963 70 HD13 ILE 11 HD13 ILE 11 -0.532 -10.479 7.528 71 H GLY 12 H GLY 12 -3.936 -5.737 7.969 72 HA2 GLY 12 HA2 GLY 12 -4.363 -5.017 10.238 73 HA3 GLY 12 HA3 GLY 12 -2.788 -4.237 10.230 74 H TYR 13 H TYR 13 -3.248 -3.175 7.506 75 HA TYR 13 HA TYR 13 -4.507 -0.721 8.385 76 HB2 TYR 13 HB2 TYR 13 -2.389 -0.860 7.006 77 HB3 TYR 13 HB3 TYR 13 -3.380 -1.426 5.673 78 HD1 TYR 13 HD1 TYR 13 -4.963 0.161 4.567 79 HD2 TYR 13 HD2 TYR 13 -2.282 1.429 7.607 80 HE1 TYR 13 HE1 TYR 13 -5.282 2.495 3.874 81 HE2 TYR 13 HE2 TYR 13 -2.601 3.762 6.928 82 HH TYR 13 HH TYR 13 -3.271 4.998 4.948 83 H SER 14 H SER 14 -6.571 -0.108 7.893 84 HA SER 14 HA SER 14 -8.004 -1.734 5.922 85 HB2 SER 14 HB2 SER 14 -10.023 -1.463 7.426 86 HB3 SER 14 HB3 SER 14 -8.748 -2.524 8.023 87 HG SER 14 HG SER 14 -9.216 0.175 8.746 88 H GLY 15 H GLY 15 -6.813 1.169 6.218 89 HA2 GLY 15 HA2 GLY 15 -9.132 2.799 5.598 90 HA3 GLY 15 HA3 GLY 15 -7.452 3.313 5.593 91 HA PRO 16 HA PRO 16 -8.407 3.106 1.168 92 HB2 PRO 16 HB2 PRO 16 -6.491 4.880 0.372 93 HB3 PRO 16 HB3 PRO 16 -8.082 5.381 0.953 94 HG2 PRO 16 HG2 PRO 16 -5.472 5.325 2.392 95 HG3 PRO 16 HG3 PRO 16 -6.778 6.518 2.479 96 HD2 PRO 16 HD2 PRO 16 -6.370 4.572 4.367 97 HD3 PRO 16 HD3 PRO 16 -7.949 5.297 4.029 98 H THR 17 H THR 17 -7.667 0.973 1.099 99 HA THR 17 HA THR 17 -4.886 0.353 1.063 100 HB THR 17 HB THR 17 -5.828 -1.946 0.455 101 HG1 THR 17 HG1 THR 17 -7.829 -1.867 -0.130 102 HG21 THR 17 HG21 THR 17 -5.167 -1.328 2.746 103 HG22 THR 17 HG22 THR 17 -6.611 -2.341 2.766 104 HG23 THR 17 HG23 THR 17 -6.750 -0.599 3.007 105 H VAL 18 H VAL 18 -7.114 1.393 -1.264 106 HA VAL 18 HA VAL 18 -5.549 0.226 -3.447 107 HB VAL 18 HB VAL 18 -8.158 1.786 -3.623 108 HG11 VAL 18 HG11 VAL 18 -8.285 0.931 -5.911 109 HG12 VAL 18 HG12 VAL 18 -6.718 0.152 -5.706 110 HG13 VAL 18 HG13 VAL 18 -6.838 1.910 -5.669 111 HG21 VAL 18 HG21 VAL 18 -9.235 -0.370 -4.060 112 HG22 VAL 18 HG22 VAL 18 -8.497 -0.329 -2.456 113 HG23 VAL 18 HG23 VAL 18 -7.701 -1.191 -3.773 114 H CYS 19 H CYS 19 -4.272 1.440 -4.654 115 HA CYS 19 HA CYS 19 -3.639 4.066 -3.667 116 HB2 CYS 19 HB2 CYS 19 -2.395 2.386 -5.841 117 HB3 CYS 19 HB3 CYS 19 -1.746 3.899 -5.213 118 H ALA 20 H ALA 20 -3.016 5.675 -5.449 119 HA ALA 20 HA ALA 20 -5.337 6.196 -7.046 120 HB1 ALA 20 HB1 ALA 20 -4.103 8.199 -7.763 121 HB2 ALA 20 HB2 ALA 20 -2.645 7.578 -6.991 122 HB3 ALA 20 HB3 ALA 20 -4.037 8.023 -6.007 123 H SER 21 H SER 21 -5.505 6.032 -9.266 124 HA SER 21 HA SER 21 -4.223 3.998 -10.608 125 HB2 SER 21 HB2 SER 21 -5.469 6.492 -11.802 126 HB3 SER 21 HB3 SER 21 -5.156 4.988 -12.668 127 HG SER 21 HG SER 21 -7.287 5.629 -11.247 128 H GLY 22 H GLY 22 -2.230 3.747 -11.367 129 HA2 GLY 22 HA2 GLY 22 -0.447 4.571 -12.753 130 HA3 GLY 22 HA3 GLY 22 -0.682 6.154 -12.016 131 H THR 23 H THR 23 -1.090 4.399 -9.430 132 HA THR 23 HA THR 23 1.772 3.968 -8.919 133 HB THR 23 HB THR 23 1.368 4.616 -6.537 134 HG1 THR 23 HG1 THR 23 -1.240 5.007 -7.518 135 HG21 THR 23 HG21 THR 23 2.257 6.286 -8.060 136 HG22 THR 23 HG22 THR 23 1.180 7.023 -6.873 137 HG23 THR 23 HG23 THR 23 0.619 6.757 -8.525 138 H THR 24 H THR 24 2.278 2.097 -7.665 139 HA THR 24 HA THR 24 -0.027 0.324 -7.397 140 HB THR 24 HB THR 24 1.632 -1.564 -7.589 141 HG1 THR 24 HG1 THR 24 3.429 0.515 -7.616 142 HG21 THR 24 HG21 THR 24 1.462 0.326 -9.934 143 HG22 THR 24 HG22 THR 24 0.261 -0.888 -9.488 144 HG23 THR 24 HG23 THR 24 1.863 -1.389 -10.029 145 H CYS 25 H CYS 25 -0.332 -0.802 -5.551 146 HA CYS 25 HA CYS 25 0.958 0.194 -3.192 147 HB2 CYS 25 HB2 CYS 25 -1.445 -0.418 -3.163 148 HB3 CYS 25 HB3 CYS 25 -1.026 -2.080 -3.561 149 H GLN 26 H GLN 26 3.070 -0.385 -3.125 150 HA GLN 26 HA GLN 26 3.775 -3.114 -3.793 151 HB2 GLN 26 HB2 GLN 26 5.610 -0.808 -3.112 152 HB3 GLN 26 HB3 GLN 26 6.095 -2.371 -3.755 153 HG2 GLN 26 HG2 GLN 26 4.689 -1.832 -5.784 154 HG3 GLN 26 HG3 GLN 26 4.557 -0.196 -5.152 155 HE21 GLN 26 HE21 GLN 26 5.710 -1.008 -7.604 156 HE22 GLN 26 HE22 GLN 26 7.381 -0.571 -7.594 157 H VAL 27 H VAL 27 4.160 -4.576 -2.354 158 HA VAL 27 HA VAL 27 3.908 -3.924 0.437 159 HB VAL 27 HB VAL 27 4.349 -6.613 -0.917 160 HG11 VAL 27 HG11 VAL 27 5.101 -6.665 1.404 161 HG12 VAL 27 HG12 VAL 27 3.622 -7.609 1.206 162 HG13 VAL 27 HG13 VAL 27 3.555 -6.003 1.931 163 HG21 VAL 27 HG21 VAL 27 1.973 -7.006 -0.507 164 HG22 VAL 27 HG22 VAL 27 2.208 -5.579 -1.522 165 HG23 VAL 27 HG23 VAL 27 1.822 -5.391 0.182 166 H LEU 28 H LEU 28 5.676 -2.824 0.989 167 HA LEU 28 HA LEU 28 8.356 -3.628 0.361 168 HB2 LEU 28 HB2 LEU 28 7.327 -1.698 2.449 169 HB3 LEU 28 HB3 LEU 28 8.994 -1.842 1.936 170 HG LEU 28 HG LEU 28 6.725 -0.929 0.154 171 HD11 LEU 28 HD11 LEU 28 7.151 0.675 1.893 172 HD12 LEU 28 HD12 LEU 28 7.758 1.283 0.348 173 HD13 LEU 28 HD13 LEU 28 8.881 0.640 1.551 174 HD21 LEU 28 HD21 LEU 28 8.496 -0.224 -1.335 175 HD22 LEU 28 HD22 LEU 28 8.558 -1.976 -1.076 176 HD23 LEU 28 HD23 LEU 28 9.698 -0.903 -0.240 177 H ASN 29 H ASN 29 6.319 -3.649 3.226 178 HA ASN 29 HA ASN 29 7.875 -5.878 4.312 179 HB2 ASN 29 HB2 ASN 29 6.644 -3.609 5.946 180 HB3 ASN 29 HB3 ASN 29 7.491 -5.022 6.549 181 HD21 ASN 29 HD21 ASN 29 8.021 -2.258 7.077 182 HD22 ASN 29 HD22 ASN 29 9.638 -1.958 6.569 183 HA PRO 30 HA PRO 30 3.922 -7.936 4.672 184 HB2 PRO 30 HB2 PRO 30 4.318 -8.059 7.634 185 HB3 PRO 30 HB3 PRO 30 3.879 -9.354 6.515 186 HG2 PRO 30 HG2 PRO 30 6.341 -9.229 7.412 187 HG3 PRO 30 HG3 PRO 30 6.066 -9.536 5.686 188 HD2 PRO 30 HD2 PRO 30 6.879 -7.004 7.054 189 HD3 PRO 30 HD3 PRO 30 7.493 -7.687 5.538 190 H TYR 31 H TYR 31 4.447 -5.558 7.272 191 HA TYR 31 HA TYR 31 1.587 -5.017 7.231 192 HB2 TYR 31 HB2 TYR 31 3.685 -4.110 9.209 193 HB3 TYR 31 HB3 TYR 31 1.955 -3.800 9.318 194 HD1 TYR 31 HD1 TYR 31 0.405 -5.631 9.847 195 HD2 TYR 31 HD2 TYR 31 4.594 -6.289 9.789 196 HE1 TYR 31 HE1 TYR 31 0.088 -7.733 11.060 197 HE2 TYR 31 HE2 TYR 31 4.287 -8.396 11.005 198 HH TYR 31 HH TYR 31 1.236 -9.829 11.395 199 H TYR 32 H TYR 32 4.607 -3.603 6.299 200 HA TYR 32 HA TYR 32 3.221 -1.058 5.837 201 HB2 TYR 32 HB2 TYR 32 5.342 -0.952 7.105 202 HB3 TYR 32 HB3 TYR 32 6.201 -1.569 5.697 203 HD1 TYR 32 HD1 TYR 32 6.766 -0.078 3.878 204 HD2 TYR 32 HD2 TYR 32 4.328 1.267 7.087 205 HE1 TYR 32 HE1 TYR 32 7.075 2.243 3.121 206 HE2 TYR 32 HE2 TYR 32 4.620 3.589 6.354 207 HH TYR 32 HH TYR 32 5.981 4.469 3.357 208 H SER 33 H SER 33 2.374 -0.839 3.924 209 HA SER 33 HA SER 33 3.923 -1.661 1.600 210 HB2 SER 33 HB2 SER 33 0.915 -1.917 1.947 211 HB3 SER 33 HB3 SER 33 1.825 -2.352 0.498 212 HG SER 33 HG SER 33 2.916 -3.574 2.621 213 H GLN 34 H GLN 34 3.789 -0.130 -0.126 214 HA GLN 34 HA GLN 34 2.471 2.375 0.605 215 HB2 GLN 34 HB2 GLN 34 4.741 2.476 1.493 216 HB3 GLN 34 HB3 GLN 34 5.392 2.063 -0.081 217 HG2 GLN 34 HG2 GLN 34 4.743 4.145 -0.988 218 HG3 GLN 34 HG3 GLN 34 3.794 4.548 0.446 219 HE21 GLN 34 HE21 GLN 34 6.964 4.345 -0.917 220 HE22 GLN 34 HE22 GLN 34 7.772 5.164 0.373 221 H CYS 35 H CYS 35 1.862 3.665 -1.089 222 HA CYS 35 HA CYS 35 1.597 2.385 -3.635 223 HB2 CYS 35 HB2 CYS 35 0.841 5.198 -2.808 224 HB3 CYS 35 HB3 CYS 35 0.367 4.394 -4.295 225 H LEU 36 H LEU 36 3.234 2.246 -4.888 226 HA LEU 36 HA LEU 36 4.790 4.617 -5.494 227 HB2 LEU 36 HB2 LEU 36 5.764 1.768 -5.211 228 HB3 LEU 36 HB3 LEU 36 6.724 3.093 -5.839 229 HG LEU 36 HG LEU 36 5.611 2.976 -3.031 230 HD11 LEU 36 HD11 LEU 36 7.317 1.274 -3.386 231 HD12 LEU 36 HD12 LEU 36 7.883 2.563 -2.323 232 HD13 LEU 36 HD13 LEU 36 8.417 2.508 -4.005 233 HD21 LEU 36 HD21 LEU 36 7.548 4.876 -4.346 234 HD22 LEU 36 HD22 LEU 36 7.155 4.858 -2.634 235 HD23 LEU 36 HD23 LEU 36 5.910 5.256 -3.813 236 H1 MAN 101 H1 MAN 101 -6.401 8.171 -6.168 237 H2 MAN 101 H2 MAN 101 -8.108 10.436 -5.059 238 H3 MAN 101 H3 MAN 101 -7.134 11.814 -6.728 239 H4 MAN 101 H4 MAN 101 -7.945 10.799 -8.839 240 H5 MAN 101 H5 MAN 101 -9.204 8.537 -8.549 241 H61 MAN 101 H61 MAN 101 -6.168 8.687 -8.303 242 H62 MAN 101 H62 MAN 101 -7.130 8.416 -9.756 243 HO2 MAN 101 HO2 MAN 101 -5.976 11.247 -4.730 244 HO3 MAN 101 HO3 MAN 101 -5.179 10.685 -6.752 245 HO4 MAN 101 HO4 MAN 101 -10.078 10.762 -8.069 246 HO6 MAN 101 HO6 MAN 101 -7.952 6.488 -8.279 Start of MODEL 19 1 H1 THR 1 H1 THR 1 -8.407 7.245 -1.286 2 H2 THR 1 H2 THR 1 -9.181 7.569 -2.771 3 H3 THR 1 H3 THR 1 -8.022 8.628 -2.135 4 HA THR 1 HA THR 1 -7.369 5.918 -2.962 5 HB THR 1 HB THR 1 -6.070 7.143 -4.721 6 HG21 THR 1 HG21 THR 1 -9.091 7.461 -4.820 7 HG22 THR 1 HG22 THR 1 -8.197 6.016 -5.298 8 HG23 THR 1 HG23 THR 1 -8.039 7.513 -6.223 9 H GLN 2 H GLN 2 -5.291 5.377 -2.423 10 HA GLN 2 HA GLN 2 -3.968 7.147 -0.569 11 HB2 GLN 2 HB2 GLN 2 -4.202 4.618 -0.273 12 HB3 GLN 2 HB3 GLN 2 -3.024 4.458 -1.566 13 HG2 GLN 2 HG2 GLN 2 -1.873 4.279 0.517 14 HG3 GLN 2 HG3 GLN 2 -1.442 5.806 -0.244 15 HE21 GLN 2 HE21 GLN 2 -4.469 5.192 1.427 16 HE22 GLN 2 HE22 GLN 2 -4.191 6.298 2.718 17 H SER 3 H SER 3 -2.342 8.439 -1.153 18 HA SER 3 HA SER 3 -1.681 8.652 -3.945 19 HB2 SER 3 HB2 SER 3 -0.760 10.267 -1.565 20 HB3 SER 3 HB3 SER 3 -0.621 10.731 -3.263 21 HG SER 3 HG SER 3 -3.113 10.113 -2.955 22 H HIS 4 H HIS 4 0.665 9.203 -4.470 23 HA HIS 4 HA HIS 4 2.231 6.889 -4.209 24 HB2 HIS 4 HB2 HIS 4 2.318 8.605 -6.059 25 HB3 HIS 4 HB3 HIS 4 3.153 9.677 -4.954 26 HD1 HIS 4 HD1 HIS 4 5.596 9.704 -5.444 27 HD2 HIS 4 HD2 HIS 4 3.914 5.983 -6.161 28 HE1 HIS 4 HE1 HIS 4 7.471 8.266 -6.267 29 HE2 HIS 4 HE2 HIS 4 6.338 6.166 -7.018 30 H TYR 5 H TYR 5 3.752 6.317 -2.778 31 HA TYR 5 HA TYR 5 5.069 6.232 -0.984 32 HB2 TYR 5 HB2 TYR 5 4.967 9.259 -1.001 33 HB3 TYR 5 HB3 TYR 5 5.880 8.343 0.185 34 HD1 TYR 5 HD1 TYR 5 6.389 10.304 -2.462 35 HD2 TYR 5 HD2 TYR 5 7.238 6.306 -1.298 36 HE1 TYR 5 HE1 TYR 5 8.315 10.270 -3.985 37 HE2 TYR 5 HE2 TYR 5 9.156 6.260 -2.816 38 HH TYR 5 HH TYR 5 10.411 9.060 -4.228 39 H GLY 6 H GLY 6 2.005 6.674 -0.923 40 HA2 GLY 6 HA2 GLY 6 1.778 7.039 1.961 41 HA3 GLY 6 HA3 GLY 6 0.443 6.931 0.813 42 H GLN 7 H GLN 7 0.555 5.395 3.155 43 HA GLN 7 HA GLN 7 1.487 2.759 2.424 44 HB2 GLN 7 HB2 GLN 7 1.619 3.679 4.776 45 HB3 GLN 7 HB3 GLN 7 -0.135 3.605 4.830 46 HG2 GLN 7 HG2 GLN 7 -0.046 1.178 4.547 47 HG3 GLN 7 HG3 GLN 7 1.713 1.250 4.485 48 HE21 GLN 7 HE21 GLN 7 0.093 -0.203 6.395 49 HE22 GLN 7 HE22 GLN 7 0.446 0.417 7.936 50 H CYS 8 H CYS 8 0.290 1.620 1.065 51 HA CYS 8 HA CYS 8 -2.430 2.251 0.529 52 HB2 CYS 8 HB2 CYS 8 -2.261 0.174 -0.942 53 HB3 CYS 8 HB3 CYS 8 -1.221 1.538 -1.333 54 H GLY 9 H GLY 9 -0.983 -0.806 1.658 55 HA2 GLY 9 HA2 GLY 9 -2.815 -1.088 3.744 56 HA3 GLY 9 HA3 GLY 9 -3.461 -1.896 2.321 57 H GLY 10 H GLY 10 -1.050 -1.887 4.744 58 HA2 GLY 10 HA2 GLY 10 -0.108 -4.501 3.847 59 HA3 GLY 10 HA3 GLY 10 0.675 -3.488 5.060 60 H ILE 11 H ILE 11 0.564 -5.558 6.312 61 HA ILE 11 HA ILE 11 -1.898 -6.593 7.180 62 HB ILE 11 HB ILE 11 0.830 -6.727 8.498 63 HG12 ILE 11 HG12 ILE 11 -0.660 -8.737 6.788 64 HG13 ILE 11 HG13 ILE 11 0.698 -7.752 6.264 65 HG21 ILE 11 HG21 ILE 11 -1.654 -8.336 9.119 66 HG22 ILE 11 HG22 ILE 11 -0.913 -7.127 10.164 67 HG23 ILE 11 HG23 ILE 11 -0.052 -8.622 9.799 68 HD11 ILE 11 HD11 ILE 11 2.149 -8.880 7.859 69 HD12 ILE 11 HD12 ILE 11 1.369 -10.037 6.774 70 HD13 ILE 11 HD13 ILE 11 0.779 -9.837 8.426 71 H GLY 12 H GLY 12 -3.369 -5.564 8.326 72 HA2 GLY 12 HA2 GLY 12 -4.045 -4.743 10.495 73 HA3 GLY 12 HA3 GLY 12 -2.471 -3.978 10.638 74 H TYR 13 H TYR 13 -3.336 -3.412 7.569 75 HA TYR 13 HA TYR 13 -4.323 -0.756 8.280 76 HB2 TYR 13 HB2 TYR 13 -2.350 -1.136 6.703 77 HB3 TYR 13 HB3 TYR 13 -3.519 -1.775 5.557 78 HD1 TYR 13 HD1 TYR 13 -1.931 1.142 6.852 79 HD2 TYR 13 HD2 TYR 13 -5.374 -0.174 4.746 80 HE1 TYR 13 HE1 TYR 13 -2.279 3.420 6.015 81 HE2 TYR 13 HE2 TYR 13 -5.734 2.111 3.905 82 HH TYR 13 HH TYR 13 -3.400 4.365 3.930 83 H SER 14 H SER 14 -6.481 -0.591 8.393 84 HA SER 14 HA SER 14 -8.091 -2.297 6.659 85 HB2 SER 14 HB2 SER 14 -9.862 -1.664 8.396 86 HB3 SER 14 HB3 SER 14 -8.585 -2.781 8.877 87 HG SER 14 HG SER 14 -9.157 -0.275 9.777 88 H GLY 15 H GLY 15 -6.897 0.622 6.425 89 HA2 GLY 15 HA2 GLY 15 -9.328 2.120 5.897 90 HA3 GLY 15 HA3 GLY 15 -7.679 2.715 5.763 91 HA PRO 16 HA PRO 16 -9.224 2.108 1.462 92 HB2 PRO 16 HB2 PRO 16 -8.093 4.357 0.439 93 HB3 PRO 16 HB3 PRO 16 -9.677 4.341 1.221 94 HG2 PRO 16 HG2 PRO 16 -7.033 5.184 2.316 95 HG3 PRO 16 HG3 PRO 16 -8.630 5.917 2.547 96 HD2 PRO 16 HD2 PRO 16 -7.426 4.312 4.391 97 HD3 PRO 16 HD3 PRO 16 -9.187 4.469 4.231 98 H THR 17 H THR 17 -8.042 0.517 0.630 99 HA THR 17 HA THR 17 -5.142 0.647 0.623 100 HB THR 17 HB THR 17 -5.364 -1.735 -0.137 101 HG1 THR 17 HG1 THR 17 -7.340 -1.897 -1.086 102 HG21 THR 17 HG21 THR 17 -6.102 -2.589 2.011 103 HG22 THR 17 HG22 THR 17 -6.997 -1.111 2.322 104 HG23 THR 17 HG23 THR 17 -5.237 -1.070 2.293 105 H VAL 18 H VAL 18 -7.483 1.733 -1.345 106 HA VAL 18 HA VAL 18 -6.426 0.841 -3.889 107 HB VAL 18 HB VAL 18 -8.519 2.962 -3.313 108 HG11 VAL 18 HG11 VAL 18 -7.869 1.521 -5.887 109 HG12 VAL 18 HG12 VAL 18 -7.541 3.217 -5.533 110 HG13 VAL 18 HG13 VAL 18 -9.207 2.644 -5.646 111 HG21 VAL 18 HG21 VAL 18 -9.227 0.790 -2.468 112 HG22 VAL 18 HG22 VAL 18 -8.873 0.051 -4.029 113 HG23 VAL 18 HG23 VAL 18 -10.174 1.232 -3.891 114 H CYS 19 H CYS 19 -4.650 1.711 -4.640 115 HA CYS 19 HA CYS 19 -3.619 4.237 -3.758 116 HB2 CYS 19 HB2 CYS 19 -2.638 2.334 -5.890 117 HB3 CYS 19 HB3 CYS 19 -1.774 3.767 -5.351 118 H ALA 20 H ALA 20 -2.814 5.844 -5.355 119 HA ALA 20 HA ALA 20 -4.952 6.783 -6.988 120 HB1 ALA 20 HB1 ALA 20 -3.480 8.678 -7.459 121 HB2 ALA 20 HB2 ALA 20 -2.125 7.818 -6.728 122 HB3 ALA 20 HB3 ALA 20 -3.493 8.314 -5.734 123 H SER 21 H SER 21 -4.241 7.686 -9.256 124 HA SER 21 HA SER 21 -3.891 5.455 -10.917 125 HB2 SER 21 HB2 SER 21 -3.702 8.368 -11.641 126 HB3 SER 21 HB3 SER 21 -4.255 7.025 -12.654 127 HG SER 21 HG SER 21 -5.926 6.728 -11.036 128 H GLY 22 H GLY 22 -2.079 4.628 -11.759 129 HA2 GLY 22 HA2 GLY 22 0.048 4.663 -12.716 130 HA3 GLY 22 HA3 GLY 22 0.299 6.271 -12.048 131 H THR 23 H THR 23 -0.938 4.495 -9.596 132 HA THR 23 HA THR 23 1.722 3.619 -8.738 133 HB THR 23 HB THR 23 1.101 4.232 -6.400 134 HG1 THR 23 HG1 THR 23 -1.282 4.796 -7.594 135 HG21 THR 23 HG21 THR 23 2.489 5.730 -7.724 136 HG22 THR 23 HG22 THR 23 1.426 6.652 -6.654 137 HG23 THR 23 HG23 THR 23 1.043 6.501 -8.373 138 H THR 24 H THR 24 1.861 1.711 -7.663 139 HA THR 24 HA THR 24 -0.630 0.210 -7.383 140 HB THR 24 HB THR 24 0.853 -1.830 -7.731 141 HG1 THR 24 HG1 THR 24 2.725 0.178 -8.003 142 HG21 THR 24 HG21 THR 24 0.796 -1.636 -10.189 143 HG22 THR 24 HG22 THR 24 0.536 0.100 -10.033 144 HG23 THR 24 HG23 THR 24 -0.689 -1.027 -9.461 145 H CYS 25 H CYS 25 -0.647 -1.311 -5.622 146 HA CYS 25 HA CYS 25 0.743 -0.266 -3.335 147 HB2 CYS 25 HB2 CYS 25 -1.616 -0.995 -3.168 148 HB3 CYS 25 HB3 CYS 25 -1.143 -2.637 -3.572 149 H GLN 26 H GLN 26 2.850 -0.753 -3.200 150 HA GLN 26 HA GLN 26 3.652 -3.497 -3.803 151 HB2 GLN 26 HB2 GLN 26 5.349 -0.996 -3.618 152 HB3 GLN 26 HB3 GLN 26 5.951 -2.604 -3.998 153 HG2 GLN 26 HG2 GLN 26 4.508 -2.620 -6.017 154 HG3 GLN 26 HG3 GLN 26 4.045 -0.962 -5.654 155 HE21 GLN 26 HE21 GLN 26 4.891 -0.124 -7.517 156 HE22 GLN 26 HE22 GLN 26 6.568 -0.020 -7.856 157 H VAL 27 H VAL 27 4.332 -4.755 -2.246 158 HA VAL 27 HA VAL 27 4.103 -3.766 0.463 159 HB VAL 27 HB VAL 27 4.592 -6.584 -0.539 160 HG11 VAL 27 HG11 VAL 27 3.944 -7.297 1.708 161 HG12 VAL 27 HG12 VAL 27 3.824 -5.608 2.203 162 HG13 VAL 27 HG13 VAL 27 5.388 -6.283 1.738 163 HG21 VAL 27 HG21 VAL 27 2.438 -5.726 -1.250 164 HG22 VAL 27 HG22 VAL 27 2.056 -5.263 0.408 165 HG23 VAL 27 HG23 VAL 27 2.225 -6.966 -0.014 166 H LEU 28 H LEU 28 5.838 -2.712 1.111 167 HA LEU 28 HA LEU 28 8.507 -3.531 0.368 168 HB2 LEU 28 HB2 LEU 28 7.699 -1.476 2.425 169 HB3 LEU 28 HB3 LEU 28 9.260 -1.638 1.663 170 HG LEU 28 HG LEU 28 6.708 -0.667 0.374 171 HD11 LEU 28 HD11 LEU 28 7.810 0.940 1.824 172 HD12 LEU 28 HD12 LEU 28 7.921 1.420 0.129 173 HD13 LEU 28 HD13 LEU 28 9.319 0.713 0.938 174 HD21 LEU 28 HD21 LEU 28 7.952 -1.975 -1.247 175 HD22 LEU 28 HD22 LEU 28 9.426 -1.073 -0.851 176 HD23 LEU 28 HD23 LEU 28 8.062 -0.247 -1.610 177 H ASN 29 H ASN 29 6.463 -3.446 3.229 178 HA ASN 29 HA ASN 29 8.177 -5.386 4.599 179 HB2 ASN 29 HB2 ASN 29 6.870 -2.933 5.856 180 HB3 ASN 29 HB3 ASN 29 7.806 -4.161 6.691 181 HD21 ASN 29 HD21 ASN 29 8.138 -1.286 6.530 182 HD22 ASN 29 HD22 ASN 29 9.710 -0.985 5.928 183 HA PRO 30 HA PRO 30 4.350 -7.511 5.304 184 HB2 PRO 30 HB2 PRO 30 4.572 -7.324 8.257 185 HB3 PRO 30 HB3 PRO 30 4.436 -8.757 7.234 186 HG2 PRO 30 HG2 PRO 30 6.747 -8.108 8.384 187 HG3 PRO 30 HG3 PRO 30 6.694 -8.788 6.749 188 HD2 PRO 30 HD2 PRO 30 7.111 -5.961 7.621 189 HD3 PRO 30 HD3 PRO 30 7.885 -6.852 6.296 190 H TYR 31 H TYR 31 4.676 -4.850 7.670 191 HA TYR 31 HA TYR 31 1.773 -4.529 7.617 192 HB2 TYR 31 HB2 TYR 31 3.827 -3.057 9.302 193 HB3 TYR 31 HB3 TYR 31 2.088 -3.000 9.488 194 HD1 TYR 31 HD1 TYR 31 5.083 -5.138 9.929 195 HD2 TYR 31 HD2 TYR 31 0.917 -4.721 10.675 196 HE1 TYR 31 HE1 TYR 31 5.186 -6.994 11.529 197 HE2 TYR 31 HE2 TYR 31 1.017 -6.576 12.275 198 HH TYR 31 HH TYR 31 3.942 -7.829 13.440 199 H TYR 32 H TYR 32 4.700 -3.089 6.431 200 HA TYR 32 HA TYR 32 3.171 -0.730 5.647 201 HB2 TYR 32 HB2 TYR 32 5.338 -0.341 6.875 202 HB3 TYR 32 HB3 TYR 32 6.169 -1.026 5.490 203 HD1 TYR 32 HD1 TYR 32 3.900 1.724 6.478 204 HD2 TYR 32 HD2 TYR 32 6.684 0.294 3.602 205 HE1 TYR 32 HE1 TYR 32 3.864 3.909 5.379 206 HE2 TYR 32 HE2 TYR 32 6.662 2.476 2.485 207 HH TYR 32 HH TYR 32 5.232 5.235 3.950 208 H SER 33 H SER 33 2.318 -0.805 3.774 209 HA SER 33 HA SER 33 3.859 -1.842 1.519 210 HB2 SER 33 HB2 SER 33 0.842 -1.836 1.885 211 HB3 SER 33 HB3 SER 33 1.721 -2.540 0.528 212 HG SER 33 HG SER 33 2.755 -3.600 2.698 213 H GLN 34 H GLN 34 3.844 -0.377 -0.279 214 HA GLN 34 HA GLN 34 2.762 2.264 0.435 215 HB2 GLN 34 HB2 GLN 34 5.143 2.109 0.957 216 HB3 GLN 34 HB3 GLN 34 5.487 1.611 -0.688 217 HG2 GLN 34 HG2 GLN 34 4.805 3.764 -1.512 218 HG3 GLN 34 HG3 GLN 34 4.345 4.278 0.116 219 HE21 GLN 34 HE21 GLN 34 5.987 4.692 1.621 220 HE22 GLN 34 HE22 GLN 34 7.620 4.928 1.126 221 H CYS 35 H CYS 35 1.942 3.453 -1.213 222 HA CYS 35 HA CYS 35 1.418 2.135 -3.700 223 HB2 CYS 35 HB2 CYS 35 0.831 4.961 -2.811 224 HB3 CYS 35 HB3 CYS 35 0.280 4.260 -4.330 225 H LEU 36 H LEU 36 2.939 1.884 -5.050 226 HA LEU 36 HA LEU 36 4.623 4.136 -5.804 227 HB2 LEU 36 HB2 LEU 36 5.420 1.249 -5.467 228 HB3 LEU 36 HB3 LEU 36 6.403 2.443 -6.283 229 HG LEU 36 HG LEU 36 5.584 2.627 -3.384 230 HD11 LEU 36 HD11 LEU 36 8.202 1.751 -4.607 231 HD12 LEU 36 HD12 LEU 36 7.054 0.711 -3.760 232 HD13 LEU 36 HD13 LEU 36 7.887 1.998 -2.886 233 HD21 LEU 36 HD21 LEU 36 7.591 4.176 -5.024 234 HD22 LEU 36 HD22 LEU 36 7.330 4.343 -3.290 235 HD23 LEU 36 HD23 LEU 36 6.051 4.787 -4.418 236 H1 MAN 101 H1 MAN 101 -5.875 9.099 -6.038 237 H2 MAN 101 H2 MAN 101 -6.526 11.485 -4.308 238 H3 MAN 101 H3 MAN 101 -7.289 12.508 -6.254 239 H4 MAN 101 H4 MAN 101 -5.448 10.584 -7.702 240 H5 MAN 101 H5 MAN 101 -8.534 10.860 -7.819 241 H61 MAN 101 H61 MAN 101 -6.611 8.584 -8.432 242 H62 MAN 101 H62 MAN 101 -7.657 9.448 -9.583 243 HO2 MAN 101 HO2 MAN 101 -4.296 11.820 -4.928 244 HO3 MAN 101 HO3 MAN 101 -5.309 13.492 -5.660 245 HO4 MAN 101 HO4 MAN 101 -6.307 11.553 -9.595 246 HO6 MAN 101 HO6 MAN 101 -9.006 8.470 -7.396 Start of MODEL 20 1 H1 THR 1 H1 THR 1 -8.698 7.695 -2.468 2 H2 THR 1 H2 THR 1 -9.291 7.248 -3.977 3 H3 THR 1 H3 THR 1 -8.091 8.440 -3.850 4 HA THR 1 HA THR 1 -7.762 5.621 -3.151 5 HB THR 1 HB THR 1 -6.075 5.830 -5.104 6 HG21 THR 1 HG21 THR 1 -7.809 5.275 -6.773 7 HG22 THR 1 HG22 THR 1 -9.018 6.103 -5.838 8 HG23 THR 1 HG23 THR 1 -8.308 4.603 -5.214 9 H GLN 2 H GLN 2 -5.376 5.183 -2.708 10 HA GLN 2 HA GLN 2 -4.503 7.159 -0.808 11 HB2 GLN 2 HB2 GLN 2 -4.377 4.791 -0.203 12 HB3 GLN 2 HB3 GLN 2 -3.332 4.471 -1.575 13 HG2 GLN 2 HG2 GLN 2 -2.033 4.534 0.465 14 HG3 GLN 2 HG3 GLN 2 -1.592 5.882 -0.574 15 HE21 GLN 2 HE21 GLN 2 -2.965 4.928 2.421 16 HE22 GLN 2 HE22 GLN 2 -3.066 6.491 3.120 17 H SER 3 H SER 3 -2.644 8.302 -0.850 18 HA SER 3 HA SER 3 -1.901 9.359 -3.373 19 HB2 SER 3 HB2 SER 3 -0.684 9.780 -0.656 20 HB3 SER 3 HB3 SER 3 -0.554 10.862 -2.040 21 HG SER 3 HG SER 3 -3.135 10.237 -1.438 22 H HIS 4 H HIS 4 0.266 9.555 -4.160 23 HA HIS 4 HA HIS 4 1.798 7.160 -4.232 24 HB2 HIS 4 HB2 HIS 4 1.689 8.891 -6.055 25 HB3 HIS 4 HB3 HIS 4 2.598 9.980 -5.023 26 HD1 HIS 4 HD1 HIS 4 4.849 10.167 -6.066 27 HD2 HIS 4 HD2 HIS 4 3.474 6.245 -6.075 28 HE1 HIS 4 HE1 HIS 4 6.664 8.817 -7.136 29 HE2 HIS 4 HE2 HIS 4 5.701 6.513 -7.353 30 H TYR 5 H TYR 5 3.388 6.528 -2.888 31 HA TYR 5 HA TYR 5 4.691 6.364 -1.128 32 HB2 TYR 5 HB2 TYR 5 5.029 9.329 -1.492 33 HB3 TYR 5 HB3 TYR 5 5.789 8.501 -0.136 34 HD1 TYR 5 HD1 TYR 5 7.452 6.714 -0.630 35 HD2 TYR 5 HD2 TYR 5 5.962 9.267 -3.664 36 HE1 TYR 5 HE1 TYR 5 9.339 6.078 -2.067 37 HE2 TYR 5 HE2 TYR 5 7.844 8.635 -5.117 38 HH TYR 5 HH TYR 5 10.180 7.744 -4.798 39 H GLY 6 H GLY 6 1.821 6.818 -0.970 40 HA2 GLY 6 HA2 GLY 6 1.664 7.400 1.889 41 HA3 GLY 6 HA3 GLY 6 0.292 7.288 0.774 42 H GLN 7 H GLN 7 0.704 5.771 3.217 43 HA GLN 7 HA GLN 7 1.497 3.143 2.407 44 HB2 GLN 7 HB2 GLN 7 1.939 3.901 4.701 45 HB3 GLN 7 HB3 GLN 7 0.219 4.107 4.981 46 HG2 GLN 7 HG2 GLN 7 -0.138 1.719 4.794 47 HG3 GLN 7 HG3 GLN 7 1.554 1.478 4.386 48 HE21 GLN 7 HE21 GLN 7 -0.045 0.413 6.587 49 HE22 GLN 7 HE22 GLN 7 0.741 0.876 8.041 50 H CYS 8 H CYS 8 0.202 2.178 0.955 51 HA CYS 8 HA CYS 8 -2.635 2.350 0.952 52 HB2 CYS 8 HB2 CYS 8 -2.481 0.318 -0.567 53 HB3 CYS 8 HB3 CYS 8 -1.606 1.740 -1.115 54 H GLY 9 H GLY 9 -0.300 0.249 2.389 55 HA2 GLY 9 HA2 GLY 9 -0.882 -0.497 4.604 56 HA3 GLY 9 HA3 GLY 9 -2.520 -0.685 4.020 57 H GLY 10 H GLY 10 -0.097 -2.289 5.143 58 HA2 GLY 10 HA2 GLY 10 -0.496 -4.638 3.513 59 HA3 GLY 10 HA3 GLY 10 0.711 -4.424 4.791 60 H ILE 11 H ILE 11 -0.144 -6.374 5.712 61 HA ILE 11 HA ILE 11 -2.748 -6.810 6.541 62 HB ILE 11 HB ILE 11 -0.171 -7.649 7.901 63 HG12 ILE 11 HG12 ILE 11 -1.928 -9.116 5.919 64 HG13 ILE 11 HG13 ILE 11 -0.383 -8.367 5.543 65 HG21 ILE 11 HG21 ILE 11 -2.052 -7.837 9.425 66 HG22 ILE 11 HG22 ILE 11 -1.479 -9.435 8.941 67 HG23 ILE 11 HG23 ILE 11 -2.955 -8.773 8.227 68 HD11 ILE 11 HD11 ILE 11 -0.172 -10.771 5.792 69 HD12 ILE 11 HD12 ILE 11 -0.824 -10.675 7.428 70 HD13 ILE 11 HD13 ILE 11 0.733 -9.938 7.055 71 H GLY 12 H GLY 12 -4.012 -5.749 7.915 72 HA2 GLY 12 HA2 GLY 12 -4.422 -5.092 10.199 73 HA3 GLY 12 HA3 GLY 12 -2.781 -4.467 10.258 74 H TYR 13 H TYR 13 -3.172 -3.258 7.532 75 HA TYR 13 HA TYR 13 -4.316 -0.798 8.570 76 HB2 TYR 13 HB2 TYR 13 -2.118 -0.807 7.392 77 HB3 TYR 13 HB3 TYR 13 -2.938 -1.336 5.935 78 HD1 TYR 13 HD1 TYR 13 -2.106 1.490 8.059 79 HD2 TYR 13 HD2 TYR 13 -4.458 0.269 4.734 80 HE1 TYR 13 HE1 TYR 13 -2.400 3.845 7.406 81 HE2 TYR 13 HE2 TYR 13 -4.769 2.603 4.081 82 HH TYR 13 HH TYR 13 -2.922 5.121 5.289 83 H SER 14 H SER 14 -6.455 -0.586 8.365 84 HA SER 14 HA SER 14 -7.776 -1.739 6.025 85 HB2 SER 14 HB2 SER 14 -9.821 -1.322 7.593 86 HB3 SER 14 HB3 SER 14 -8.761 -2.704 7.870 87 HG SER 14 HG SER 14 -9.074 -0.343 9.314 88 H GLY 15 H GLY 15 -6.418 0.881 6.119 89 HA2 GLY 15 HA2 GLY 15 -8.612 2.788 5.876 90 HA3 GLY 15 HA3 GLY 15 -6.891 3.157 5.769 91 HA PRO 16 HA PRO 16 -8.279 3.189 1.432 92 HB2 PRO 16 HB2 PRO 16 -6.453 5.019 0.546 93 HB3 PRO 16 HB3 PRO 16 -8.007 5.463 1.258 94 HG2 PRO 16 HG2 PRO 16 -5.295 5.468 2.481 95 HG3 PRO 16 HG3 PRO 16 -6.646 6.585 2.739 96 HD2 PRO 16 HD2 PRO 16 -5.942 4.552 4.460 97 HD3 PRO 16 HD3 PRO 16 -7.560 5.266 4.372 98 H THR 17 H THR 17 -7.598 1.181 0.908 99 HA THR 17 HA THR 17 -4.793 0.549 0.825 100 HB THR 17 HB THR 17 -5.679 -1.720 0.178 101 HG1 THR 17 HG1 THR 17 -8.130 -1.643 0.925 102 HG21 THR 17 HG21 THR 17 -6.524 -2.232 2.427 103 HG22 THR 17 HG22 THR 17 -6.781 -0.511 2.731 104 HG23 THR 17 HG23 THR 17 -5.147 -1.133 2.528 105 H VAL 18 H VAL 18 -7.296 1.525 -1.307 106 HA VAL 18 HA VAL 18 -6.067 0.424 -3.673 107 HB VAL 18 HB VAL 18 -8.308 2.465 -3.469 108 HG11 VAL 18 HG11 VAL 18 -8.842 1.802 -5.765 109 HG12 VAL 18 HG12 VAL 18 -7.439 0.734 -5.785 110 HG13 VAL 18 HG13 VAL 18 -7.215 2.479 -5.646 111 HG21 VAL 18 HG21 VAL 18 -9.837 0.591 -3.864 112 HG22 VAL 18 HG22 VAL 18 -8.920 0.357 -2.372 113 HG23 VAL 18 HG23 VAL 18 -8.479 -0.529 -3.826 114 H CYS 19 H CYS 19 -4.403 1.312 -4.590 115 HA CYS 19 HA CYS 19 -3.408 3.841 -3.775 116 HB2 CYS 19 HB2 CYS 19 -2.448 1.834 -5.792 117 HB3 CYS 19 HB3 CYS 19 -1.610 3.345 -5.446 118 H ALA 20 H ALA 20 -2.758 5.524 -5.159 119 HA ALA 20 HA ALA 20 -4.695 6.661 -6.737 120 HB1 ALA 20 HB1 ALA 20 -1.709 7.119 -6.806 121 HB2 ALA 20 HB2 ALA 20 -2.840 7.895 -5.701 122 HB3 ALA 20 HB3 ALA 20 -2.938 8.217 -7.434 123 H SER 21 H SER 21 -4.817 6.984 -8.966 124 HA SER 21 HA SER 21 -4.445 4.634 -10.471 125 HB2 SER 21 HB2 SER 21 -5.104 7.437 -11.404 126 HB3 SER 21 HB3 SER 21 -5.460 5.925 -12.248 127 HG SER 21 HG SER 21 -6.547 5.465 -10.049 128 H GLY 22 H GLY 22 -2.541 3.967 -11.137 129 HA2 GLY 22 HA2 GLY 22 -0.746 4.276 -12.731 130 HA3 GLY 22 HA3 GLY 22 -0.646 5.952 -12.204 131 H THR 23 H THR 23 -1.175 4.168 -9.484 132 HA THR 23 HA THR 23 1.698 3.708 -9.054 133 HB THR 23 HB THR 23 1.407 4.343 -6.675 134 HG1 THR 23 HG1 THR 23 -1.273 4.705 -7.503 135 HG21 THR 23 HG21 THR 23 2.079 6.094 -8.239 136 HG22 THR 23 HG22 THR 23 1.068 6.753 -6.953 137 HG23 THR 23 HG23 THR 23 0.384 6.465 -8.556 138 H THR 24 H THR 24 2.207 1.910 -7.639 139 HA THR 24 HA THR 24 -0.007 -0.009 -7.510 140 HB THR 24 HB THR 24 1.798 -1.783 -7.580 141 HG1 THR 24 HG1 THR 24 3.382 0.508 -7.702 142 HG21 THR 24 HG21 THR 24 0.509 -1.224 -9.597 143 HG22 THR 24 HG22 THR 24 2.176 -1.619 -10.008 144 HG23 THR 24 HG23 THR 24 1.654 0.065 -9.970 145 H CYS 25 H CYS 25 -0.211 -1.298 -5.620 146 HA CYS 25 HA CYS 25 0.830 -0.031 -3.247 147 HB2 CYS 25 HB2 CYS 25 -1.527 -0.842 -3.326 148 HB3 CYS 25 HB3 CYS 25 -0.953 -2.481 -3.583 149 H GLN 26 H GLN 26 2.967 -0.464 -3.005 150 HA GLN 26 HA GLN 26 3.824 -3.170 -3.599 151 HB2 GLN 26 HB2 GLN 26 5.481 -0.694 -3.169 152 HB3 GLN 26 HB3 GLN 26 6.119 -2.285 -3.560 153 HG2 GLN 26 HG2 GLN 26 4.776 -2.240 -5.654 154 HG3 GLN 26 HG3 GLN 26 4.342 -0.576 -5.275 155 HE21 GLN 26 HE21 GLN 26 5.324 0.197 -7.123 156 HE22 GLN 26 HE22 GLN 26 7.031 0.292 -7.298 157 H VAL 27 H VAL 27 4.079 -4.546 -2.139 158 HA VAL 27 HA VAL 27 4.031 -3.974 0.642 159 HB VAL 27 HB VAL 27 4.765 -6.562 -0.777 160 HG11 VAL 27 HG11 VAL 27 4.166 -7.666 1.329 161 HG12 VAL 27 HG12 VAL 27 3.917 -6.091 2.079 162 HG13 VAL 27 HG13 VAL 27 5.525 -6.561 1.531 163 HG21 VAL 27 HG21 VAL 27 2.451 -7.248 -0.364 164 HG22 VAL 27 HG22 VAL 27 2.521 -5.808 -1.384 165 HG23 VAL 27 HG23 VAL 27 2.110 -5.664 0.325 166 H LEU 28 H LEU 28 5.701 -2.870 1.379 167 HA LEU 28 HA LEU 28 8.407 -3.458 0.530 168 HB2 LEU 28 HB2 LEU 28 7.319 -1.466 2.520 169 HB3 LEU 28 HB3 LEU 28 8.997 -1.560 2.019 170 HG LEU 28 HG LEU 28 6.666 -0.858 0.217 171 HD11 LEU 28 HD11 LEU 28 8.851 0.866 1.367 172 HD12 LEU 28 HD12 LEU 28 7.144 0.903 1.810 173 HD13 LEU 28 HD13 LEU 28 7.642 1.376 0.189 174 HD21 LEU 28 HD21 LEU 28 9.622 -0.862 -0.285 175 HD22 LEU 28 HD22 LEU 28 8.390 -0.263 -1.399 176 HD23 LEU 28 HD23 LEU 28 8.453 -1.982 -0.993 177 H ASN 29 H ASN 29 6.356 -3.661 3.353 178 HA ASN 29 HA ASN 29 8.131 -5.666 4.523 179 HB2 ASN 29 HB2 ASN 29 6.791 -3.409 6.084 180 HB3 ASN 29 HB3 ASN 29 7.727 -4.716 6.762 181 HD21 ASN 29 HD21 ASN 29 8.126 -1.852 7.033 182 HD22 ASN 29 HD22 ASN 29 9.719 -1.563 6.439 183 HA PRO 30 HA PRO 30 4.445 -8.091 5.023 184 HB2 PRO 30 HB2 PRO 30 4.635 -7.872 7.994 185 HB3 PRO 30 HB3 PRO 30 4.435 -9.313 6.985 186 HG2 PRO 30 HG2 PRO 30 6.791 -8.752 8.060 187 HG3 PRO 30 HG3 PRO 30 6.687 -9.372 6.403 188 HD2 PRO 30 HD2 PRO 30 7.217 -6.607 7.369 189 HD3 PRO 30 HD3 PRO 30 7.888 -7.443 5.955 190 H TYR 31 H TYR 31 4.513 -5.375 7.317 191 HA TYR 31 HA TYR 31 1.601 -5.185 7.057 192 HB2 TYR 31 HB2 TYR 31 3.380 -3.891 9.142 193 HB3 TYR 31 HB3 TYR 31 1.629 -3.901 9.106 194 HD1 TYR 31 HD1 TYR 31 0.417 -6.069 9.418 195 HD2 TYR 31 HD2 TYR 31 4.591 -5.715 10.115 196 HE1 TYR 31 HE1 TYR 31 0.369 -8.144 10.715 197 HE2 TYR 31 HE2 TYR 31 4.551 -7.800 11.420 198 HH TYR 31 HH TYR 31 2.878 -9.130 12.697 199 H TYR 32 H TYR 32 4.528 -3.673 6.156 200 HA TYR 32 HA TYR 32 3.178 -1.110 5.684 201 HB2 TYR 32 HB2 TYR 32 5.344 -1.057 6.909 202 HB3 TYR 32 HB3 TYR 32 6.122 -1.738 5.491 203 HD1 TYR 32 HD1 TYR 32 3.811 1.118 6.179 204 HD2 TYR 32 HD2 TYR 32 7.378 -0.215 4.279 205 HE1 TYR 32 HE1 TYR 32 4.259 3.405 5.422 206 HE2 TYR 32 HE2 TYR 32 7.810 2.084 3.500 207 HH TYR 32 HH TYR 32 6.043 4.741 4.745 208 H SER 33 H SER 33 2.312 -0.912 3.814 209 HA SER 33 HA SER 33 3.797 -1.722 1.448 210 HB2 SER 33 HB2 SER 33 0.808 -1.979 1.865 211 HB3 SER 33 HB3 SER 33 1.691 -2.422 0.405 212 HG SER 33 HG SER 33 2.837 -3.673 2.452 213 H GLN 34 H GLN 34 3.789 -0.123 -0.079 214 HA GLN 34 HA GLN 34 2.271 2.274 0.594 215 HB2 GLN 34 HB2 GLN 34 4.410 2.610 1.585 216 HB3 GLN 34 HB3 GLN 34 5.238 2.043 0.148 217 HG2 GLN 34 HG2 GLN 34 4.750 4.000 -1.025 218 HG3 GLN 34 HG3 GLN 34 3.550 4.517 0.168 219 HE21 GLN 34 HE21 GLN 34 6.913 4.196 -0.542 220 HE22 GLN 34 HE22 GLN 34 7.473 5.191 0.742 221 H CYS 35 H CYS 35 1.685 3.579 -1.083 222 HA CYS 35 HA CYS 35 1.431 2.292 -3.614 223 HB2 CYS 35 HB2 CYS 35 0.650 5.063 -2.729 224 HB3 CYS 35 HB3 CYS 35 0.203 4.329 -4.267 225 H LEU 36 H LEU 36 3.076 2.144 -4.829 226 HA LEU 36 HA LEU 36 4.688 4.503 -5.391 227 HB2 LEU 36 HB2 LEU 36 5.561 1.607 -5.327 228 HB3 LEU 36 HB3 LEU 36 6.569 2.970 -5.759 229 HG LEU 36 HG LEU 36 5.393 2.472 -3.026 230 HD11 LEU 36 HD11 LEU 36 7.158 0.888 -3.574 231 HD12 LEU 36 HD12 LEU 36 7.674 2.043 -2.345 232 HD13 LEU 36 HD13 LEU 36 8.227 2.225 -4.012 233 HD21 LEU 36 HD21 LEU 36 7.261 4.596 -4.039 234 HD22 LEU 36 HD22 LEU 36 6.877 4.313 -2.349 235 HD23 LEU 36 HD23 LEU 36 5.610 4.831 -3.462 236 H1 MAN 101 H1 MAN 101 -6.773 6.908 -7.605 237 H2 MAN 101 H2 MAN 101 -6.269 9.793 -6.874 238 H3 MAN 101 H3 MAN 101 -7.965 10.400 -8.321 239 H4 MAN 101 H4 MAN 101 -7.297 7.846 -9.846 240 H5 MAN 101 H5 MAN 101 -9.947 8.637 -8.527 241 H61 MAN 101 H61 MAN 101 -8.582 5.987 -9.080 242 H62 MAN 101 H62 MAN 101 -9.973 6.647 -9.967 243 HO2 MAN 101 HO2 MAN 101 -4.982 9.467 -8.717 244 HO3 MAN 101 HO3 MAN 101 -6.869 10.680 -10.367 245 HO4 MAN 101 HO4 MAN 101 -9.239 9.913 -10.371 246 HO6 MAN 101 HO6 MAN 101 -10.290 6.669 -7.237
Contact the webmaster for help, if required. Saturday, October 5, 2024 6:18:07 PM GMT (wattos1)