NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
616844 | 5x36 | 36052 | 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 -11.644 -0.306 -4.376 2 H2 THR 1 H2 THR 1 -10.705 -1.646 -3.973 3 H3 THR 1 H3 THR 1 -11.119 -1.345 -5.592 4 HA THR 1 HA THR 1 -8.860 -0.668 -5.148 5 HB THR 1 HB THR 1 -9.257 1.844 -5.667 6 HG1 THR 1 HG1 THR 1 -11.439 2.269 -6.279 7 HG21 THR 1 HG21 THR 1 -8.750 0.147 -7.389 8 HG22 THR 1 HG22 THR 1 -9.938 1.313 -7.970 9 HG23 THR 1 HG23 THR 1 -10.458 -0.286 -7.451 10 H GLN 2 H GLN 2 -7.452 -0.039 -3.692 11 HA GLN 2 HA GLN 2 -8.273 0.824 -1.086 12 HB2 GLN 2 HB2 GLN 2 -6.368 -0.721 -1.443 13 HB3 GLN 2 HB3 GLN 2 -5.518 0.540 -2.318 14 HG2 GLN 2 HG2 GLN 2 -4.755 0.248 0.005 15 HG3 GLN 2 HG3 GLN 2 -5.334 1.868 -0.367 16 HE21 GLN 2 HE21 GLN 2 -5.878 2.406 1.547 17 HE22 GLN 2 HE22 GLN 2 -7.121 1.714 2.569 18 H SER 3 H SER 3 -7.827 2.812 -0.088 19 HA SER 3 HA SER 3 -8.246 4.963 -1.885 20 HB2 SER 3 HB2 SER 3 -8.526 6.283 0.107 21 HB3 SER 3 HB3 SER 3 -9.469 4.805 0.262 22 H HIS 4 H HIS 4 -7.154 6.986 -1.285 23 HA HIS 4 HA HIS 4 -4.350 6.743 -1.923 24 HB2 HIS 4 HB2 HIS 4 -5.994 8.453 -2.869 25 HB3 HIS 4 HB3 HIS 4 -5.952 9.243 -1.315 26 HD1 HIS 4 HD1 HIS 4 -5.061 11.319 -2.828 27 HD2 HIS 4 HD2 HIS 4 -2.495 8.101 -2.440 28 HE1 HIS 4 HE1 HIS 4 -2.857 12.116 -3.677 29 HE2 HIS 4 HE2 HIS 4 -1.548 9.981 -3.856 30 H TYR 5 H TYR 5 -2.695 7.028 -0.430 31 HA TYR 5 HA TYR 5 -1.590 7.358 1.462 32 HB2 TYR 5 HB2 TYR 5 -4.055 8.807 2.334 33 HB3 TYR 5 HB3 TYR 5 -2.634 8.681 3.379 34 HD1 TYR 5 HD1 TYR 5 -4.238 10.470 0.733 35 HD2 TYR 5 HD2 TYR 5 -0.465 9.665 2.491 36 HE1 TYR 5 HE1 TYR 5 -3.322 12.450 -0.362 37 HE2 TYR 5 HE2 TYR 5 0.475 11.644 1.400 38 HH TYR 5 HH TYR 5 -1.496 13.998 -0.051 39 H GLY 6 H GLY 6 -3.753 5.250 0.957 40 HA2 GLY 6 HA2 GLY 6 -4.014 4.203 3.677 41 HA3 GLY 6 HA3 GLY 6 -4.884 3.679 2.247 42 H GLN 7 H GLN 7 -3.586 1.830 3.923 43 HA GLN 7 HA GLN 7 -1.015 1.168 2.830 44 HB2 GLN 7 HB2 GLN 7 -1.837 0.664 5.197 45 HB3 GLN 7 HB3 GLN 7 -2.823 -0.599 4.477 46 HG2 GLN 7 HG2 GLN 7 -0.825 -1.724 3.664 47 HG3 GLN 7 HG3 GLN 7 0.195 -0.460 4.339 48 HE21 GLN 7 HE21 GLN 7 0.392 -3.209 4.981 49 HE22 GLN 7 HE22 GLN 7 0.004 -3.406 6.629 50 H CYS 8 H CYS 8 -0.703 0.071 0.996 51 HA CYS 8 HA CYS 8 -3.048 -1.207 -0.241 52 HB2 CYS 8 HB2 CYS 8 -1.774 -0.971 -2.335 53 HB3 CYS 8 HB3 CYS 8 -2.232 0.538 -1.575 54 H GLY 9 H GLY 9 -0.757 -2.409 1.562 55 HA2 GLY 9 HA2 GLY 9 -0.959 -4.932 1.320 56 HA3 GLY 9 HA3 GLY 9 -0.453 -4.650 -0.328 57 H GLY 10 H GLY 10 0.507 -4.538 2.976 58 HA2 GLY 10 HA2 GLY 10 3.277 -4.877 2.119 59 HA3 GLY 10 HA3 GLY 10 2.736 -4.545 3.774 60 H ILE 11 H ILE 11 4.322 -6.668 3.640 61 HA ILE 11 HA ILE 11 2.974 -9.087 3.080 62 HB ILE 11 HB ILE 11 5.241 -8.585 5.042 63 HG12 ILE 11 HG12 ILE 11 5.310 -9.497 2.152 64 HG13 ILE 11 HG13 ILE 11 5.767 -7.898 2.730 65 HG21 ILE 11 HG21 ILE 11 4.293 -11.158 3.761 66 HG22 ILE 11 HG22 ILE 11 4.089 -10.712 5.454 67 HG23 ILE 11 HG23 ILE 11 5.707 -10.993 4.807 68 HD11 ILE 11 HD11 ILE 11 7.603 -8.877 3.994 69 HD12 ILE 11 HD12 ILE 11 7.716 -9.297 2.281 70 HD13 ILE 11 HD13 ILE 11 7.124 -10.483 3.447 71 H GLY 12 H GLY 12 1.135 -9.679 4.021 72 HA2 GLY 12 HA2 GLY 12 0.210 -10.610 6.068 73 HA3 GLY 12 HA3 GLY 12 0.861 -9.210 6.912 74 H TYR 13 H TYR 13 -0.064 -7.827 4.210 75 HA TYR 13 HA TYR 13 -2.805 -7.296 5.175 76 HB2 TYR 13 HB2 TYR 13 -1.199 -5.344 5.031 77 HB3 TYR 13 HB3 TYR 13 -1.053 -5.648 3.312 78 HD1 TYR 13 HD1 TYR 13 -2.987 -4.073 5.919 79 HD2 TYR 13 HD2 TYR 13 -3.091 -5.227 1.822 80 HE1 TYR 13 HE1 TYR 13 -4.860 -2.513 5.518 81 HE2 TYR 13 HE2 TYR 13 -4.965 -3.651 1.439 82 HH TYR 13 HH TYR 13 -5.768 -1.254 3.504 83 H SER 14 H SER 14 -4.158 -8.606 4.051 84 HA SER 14 HA SER 14 -3.530 -9.089 1.227 85 HB2 SER 14 HB2 SER 14 -5.149 -10.797 3.119 86 HB3 SER 14 HB3 SER 14 -4.681 -11.217 1.472 87 HG SER 14 HG SER 14 -2.455 -10.563 2.684 88 H GLY 15 H GLY 15 -5.272 -7.066 2.861 89 HA2 GLY 15 HA2 GLY 15 -7.947 -7.244 1.810 90 HA3 GLY 15 HA3 GLY 15 -7.160 -5.885 2.566 91 HA PRO 16 HA PRO 16 -7.838 -4.486 -1.714 92 HB2 PRO 16 HB2 PRO 16 -7.634 -1.913 -0.252 93 HB3 PRO 16 HB3 PRO 16 -8.835 -2.434 -1.436 94 HG2 PRO 16 HG2 PRO 16 -9.414 -2.292 1.166 95 HG3 PRO 16 HG3 PRO 16 -10.080 -3.572 0.144 96 HD2 PRO 16 HD2 PRO 16 -7.837 -3.740 2.136 97 HD3 PRO 16 HD3 PRO 16 -9.095 -4.914 1.727 98 H THR 17 H THR 17 -5.835 -5.066 -2.454 99 HA THR 17 HA THR 17 -3.497 -3.502 -1.699 100 HB THR 17 HB THR 17 -2.360 -5.291 -3.127 101 HG1 THR 17 HG1 THR 17 -3.842 -6.284 -4.280 102 HG21 THR 17 HG21 THR 17 -2.492 -6.981 -1.349 103 HG22 THR 17 HG22 THR 17 -3.948 -6.213 -0.716 104 HG23 THR 17 HG23 THR 17 -2.408 -5.363 -0.650 105 H VAL 18 H VAL 18 -5.854 -3.579 -4.025 106 HA VAL 18 HA VAL 18 -4.151 -2.517 -6.147 107 HB VAL 18 HB VAL 18 -7.131 -3.123 -6.211 108 HG11 VAL 18 HG11 VAL 18 -6.496 -1.423 -7.838 109 HG12 VAL 18 HG12 VAL 18 -6.920 -2.933 -8.646 110 HG13 VAL 18 HG13 VAL 18 -5.225 -2.477 -8.463 111 HG21 VAL 18 HG21 VAL 18 -6.528 -5.103 -7.532 112 HG22 VAL 18 HG22 VAL 18 -5.801 -5.163 -5.923 113 HG23 VAL 18 HG23 VAL 18 -4.822 -4.720 -7.318 114 H CYS 19 H CYS 19 -3.759 -0.424 -5.978 115 HA CYS 19 HA CYS 19 -5.294 1.351 -4.425 116 HB2 CYS 19 HB2 CYS 19 -3.137 1.822 -6.469 117 HB3 CYS 19 HB3 CYS 19 -3.785 3.044 -5.384 118 H ALA 20 H ALA 20 -6.405 3.226 -5.137 119 HA ALA 20 HA ALA 20 -8.174 2.919 -7.303 120 HB1 ALA 20 HB1 ALA 20 -8.663 4.369 -5.379 121 HB2 ALA 20 HB2 ALA 20 -8.747 5.289 -6.877 122 HB3 ALA 20 HB3 ALA 20 -7.337 5.435 -5.833 123 H SER 21 H SER 21 -8.164 3.953 -9.362 124 HA SER 21 HA SER 21 -5.660 4.017 -10.591 125 HB2 SER 21 HB2 SER 21 -8.282 5.152 -11.576 126 HB3 SER 21 HB3 SER 21 -6.879 4.746 -12.566 127 HG SER 21 HG SER 21 -7.171 2.588 -11.417 128 H GLY 22 H GLY 22 -4.211 5.523 -10.831 129 HA2 GLY 22 HA2 GLY 22 -3.606 7.819 -11.173 130 HA3 GLY 22 HA3 GLY 22 -4.912 8.262 -10.075 131 H THR 23 H THR 23 -4.121 5.824 -8.388 132 HA THR 23 HA THR 23 -1.881 7.174 -7.089 133 HB THR 23 HB THR 23 -2.549 6.097 -4.985 134 HG1 THR 23 HG1 THR 23 -4.482 4.868 -6.648 135 HG21 THR 23 HG21 THR 23 -4.671 7.274 -4.596 136 HG22 THR 23 HG22 THR 23 -4.829 7.531 -6.334 137 HG23 THR 23 HG23 THR 23 -3.492 8.266 -5.445 138 H THR 24 H THR 24 -0.143 6.021 -6.440 139 HA THR 24 HA THR 24 0.137 3.422 -7.751 140 HB THR 24 HB THR 24 2.623 3.935 -7.610 141 HG1 THR 24 HG1 THR 24 1.550 6.325 -6.521 142 HG21 THR 24 HG21 THR 24 1.359 4.229 -9.698 143 HG22 THR 24 HG22 THR 24 2.574 5.495 -9.527 144 HG23 THR 24 HG23 THR 24 0.884 5.848 -9.183 145 H CYS 25 H CYS 25 0.793 1.640 -6.541 146 HA CYS 25 HA CYS 25 0.714 1.973 -3.678 147 HB2 CYS 25 HB2 CYS 25 -0.436 0.020 -4.627 148 HB3 CYS 25 HB3 CYS 25 1.065 -0.566 -5.333 149 H GLN 26 H GLN 26 2.446 2.826 -2.854 150 HA GLN 26 HA GLN 26 5.040 1.994 -3.873 151 HB2 GLN 26 HB2 GLN 26 4.201 4.359 -2.212 152 HB3 GLN 26 HB3 GLN 26 5.866 4.026 -2.658 153 HG2 GLN 26 HG2 GLN 26 5.253 4.202 -5.031 154 HG3 GLN 26 HG3 GLN 26 3.587 4.515 -4.573 155 HE21 GLN 26 HE21 GLN 26 3.529 6.442 -5.562 156 HE22 GLN 26 HE22 GLN 26 4.356 7.847 -5.000 157 H VAL 27 H VAL 27 6.052 0.534 -2.819 158 HA VAL 27 HA VAL 27 5.324 -0.250 -0.153 159 HB VAL 27 HB VAL 27 7.705 -1.141 -1.826 160 HG11 VAL 27 HG11 VAL 27 7.981 -1.662 0.546 161 HG12 VAL 27 HG12 VAL 27 7.720 -3.135 -0.384 162 HG13 VAL 27 HG13 VAL 27 6.408 -2.451 0.568 163 HG21 VAL 27 HG21 VAL 27 5.610 -1.582 -2.999 164 HG22 VAL 27 HG22 VAL 27 4.977 -2.408 -1.573 165 HG23 VAL 27 HG23 VAL 27 6.352 -3.086 -2.448 166 H LEU 28 H LEU 28 6.054 0.735 1.564 167 HA LEU 28 HA LEU 28 8.376 2.504 1.287 168 HB2 LEU 28 HB2 LEU 28 6.194 2.463 3.377 169 HB3 LEU 28 HB3 LEU 28 7.472 3.661 3.255 170 HG LEU 28 HG LEU 28 5.314 3.205 1.181 171 HD11 LEU 28 HD11 LEU 28 4.463 5.365 1.842 172 HD12 LEU 28 HD12 LEU 28 5.656 5.456 3.142 173 HD13 LEU 28 HD13 LEU 28 4.397 4.217 3.177 174 HD21 LEU 28 HD21 LEU 28 7.465 5.263 1.388 175 HD22 LEU 28 HD22 LEU 28 6.155 5.275 0.203 176 HD23 LEU 28 HD23 LEU 28 7.358 3.973 0.186 177 H ASN 29 H ASN 29 6.957 0.014 3.267 178 HA ASN 29 HA ASN 29 9.587 -0.691 4.314 179 HB2 ASN 29 HB2 ASN 29 7.005 -0.509 5.935 180 HB3 ASN 29 HB3 ASN 29 8.501 -1.211 6.505 181 HD21 ASN 29 HD21 ASN 29 6.816 1.740 5.823 182 HD22 ASN 29 HD22 ASN 29 7.931 2.803 6.600 183 HA PRO 30 HA PRO 30 8.331 -4.747 3.019 184 HB2 PRO 30 HB2 PRO 30 8.491 -5.755 5.804 185 HB3 PRO 30 HB3 PRO 30 9.256 -6.396 4.347 186 HG2 PRO 30 HG2 PRO 30 10.712 -5.054 6.106 187 HG3 PRO 30 HG3 PRO 30 10.943 -4.778 4.370 188 HD2 PRO 30 HD2 PRO 30 9.503 -3.100 6.381 189 HD3 PRO 30 HD3 PRO 30 10.545 -2.586 5.042 190 H TYR 31 H TYR 31 6.689 -3.538 5.895 191 HA TYR 31 HA TYR 31 4.368 -5.186 5.128 192 HB2 TYR 31 HB2 TYR 31 4.785 -3.840 7.807 193 HB3 TYR 31 HB3 TYR 31 3.613 -5.078 7.393 194 HD1 TYR 31 HD1 TYR 31 4.348 -7.423 7.084 195 HD2 TYR 31 HD2 TYR 31 7.059 -4.413 8.364 196 HE1 TYR 31 HE1 TYR 31 5.916 -9.158 7.812 197 HE2 TYR 31 HE2 TYR 31 8.642 -6.135 9.097 198 HH TYR 31 HH TYR 31 8.268 -9.420 8.256 199 H TYR 32 H TYR 32 5.533 -1.945 5.642 200 HA TYR 32 HA TYR 32 2.849 -0.884 5.327 201 HB2 TYR 32 HB2 TYR 32 4.234 0.085 7.119 202 HB3 TYR 32 HB3 TYR 32 5.404 0.609 5.916 203 HD1 TYR 32 HD1 TYR 32 5.350 2.901 5.458 204 HD2 TYR 32 HD2 TYR 32 1.701 0.870 6.368 205 HE1 TYR 32 HE1 TYR 32 4.149 4.985 5.268 206 HE2 TYR 32 HE2 TYR 32 0.486 2.978 6.151 207 HH TYR 32 HH TYR 32 1.909 5.807 4.842 208 H SER 33 H SER 33 2.109 -0.518 3.393 209 HA SER 33 HA SER 33 3.859 0.667 1.365 210 HB2 SER 33 HB2 SER 33 1.712 -1.427 0.856 211 HB3 SER 33 HB3 SER 33 2.792 -0.720 -0.347 212 HG SER 33 HG SER 33 3.354 -2.860 0.526 213 H GLN 34 H GLN 34 2.731 2.293 0.165 214 HA GLN 34 HA GLN 34 0.002 2.806 1.094 215 HB2 GLN 34 HB2 GLN 34 1.319 4.127 2.565 216 HB3 GLN 34 HB3 GLN 34 2.324 4.710 1.250 217 HG2 GLN 34 HG2 GLN 34 0.475 5.998 0.362 218 HG3 GLN 34 HG3 GLN 34 -0.584 5.353 1.616 219 HE21 GLN 34 HE21 GLN 34 -0.546 6.252 3.619 220 HE22 GLN 34 HE22 GLN 34 0.433 7.618 4.016 221 H CYS 35 H CYS 35 -1.357 3.591 -0.383 222 HA CYS 35 HA CYS 35 -0.535 3.845 -3.133 223 HB2 CYS 35 HB2 CYS 35 -3.189 4.591 -1.878 224 HB3 CYS 35 HB3 CYS 35 -2.852 4.421 -3.595 225 H LEU 36 H LEU 36 0.461 5.595 -3.840 226 HA LEU 36 HA LEU 36 -0.384 8.212 -2.842 227 HB2 LEU 36 HB2 LEU 36 2.379 7.279 -3.581 228 HB3 LEU 36 HB3 LEU 36 1.953 8.967 -3.422 229 HG LEU 36 HG LEU 36 1.723 6.949 -1.195 230 HD11 LEU 36 HD11 LEU 36 3.795 9.090 -1.667 231 HD12 LEU 36 HD12 LEU 36 4.058 7.348 -1.807 232 HD13 LEU 36 HD13 LEU 36 3.660 8.059 -0.242 233 HD21 LEU 36 HD21 LEU 36 1.446 8.955 0.199 234 HD22 LEU 36 HD22 LEU 36 0.147 8.772 -0.966 235 HD23 LEU 36 HD23 LEU 36 1.429 9.951 -1.255 236 H1 MAN 101 H1 MAN 101 -8.628 6.506 2.391 237 H2 MAN 101 H2 MAN 101 -6.533 5.831 3.545 238 H3 MAN 101 H3 MAN 101 -6.695 3.413 3.200 239 H4 MAN 101 H4 MAN 101 -9.012 3.503 5.195 240 H5 MAN 101 H5 MAN 101 -9.097 2.913 2.159 241 H61 MAN 101 H61 MAN 101 -11.163 3.130 4.370 242 H62 MAN 101 H62 MAN 101 -10.848 1.719 3.328 243 HO2 MAN 101 HO2 MAN 101 -8.285 6.824 4.702 244 HO3 MAN 101 HO3 MAN 101 -6.958 4.183 5.929 245 HO4 MAN 101 HO4 MAN 101 -7.669 1.654 5.176 246 HO6 MAN 101 HO6 MAN 101 -11.695 4.297 2.409 Start of MODEL 2 1 H1 THR 1 H1 THR 1 -11.754 0.806 -5.042 2 H2 THR 1 H2 THR 1 -11.566 -0.672 -4.243 3 H3 THR 1 H3 THR 1 -11.560 -0.624 -5.947 4 HA THR 1 HA THR 1 -9.348 -0.842 -5.192 5 HB THR 1 HB THR 1 -8.471 1.428 -5.947 6 HG1 THR 1 HG1 THR 1 -10.230 2.702 -6.951 7 HG21 THR 1 HG21 THR 1 -10.476 0.005 -7.706 8 HG22 THR 1 HG22 THR 1 -8.778 -0.442 -7.496 9 HG23 THR 1 HG23 THR 1 -9.201 1.093 -8.253 10 H GLN 2 H GLN 2 -7.588 -0.006 -3.974 11 HA GLN 2 HA GLN 2 -8.271 0.745 -1.322 12 HB2 GLN 2 HB2 GLN 2 -6.388 -0.770 -1.796 13 HB3 GLN 2 HB3 GLN 2 -5.580 0.497 -2.700 14 HG2 GLN 2 HG2 GLN 2 -4.636 0.282 -0.425 15 HG3 GLN 2 HG3 GLN 2 -5.388 1.835 -0.727 16 HE21 GLN 2 HE21 GLN 2 -5.764 2.270 1.198 17 HE22 GLN 2 HE22 GLN 2 -6.905 1.472 2.267 18 H SER 3 H SER 3 -7.850 2.641 -0.245 19 HA SER 3 HA SER 3 -8.263 4.933 -1.864 20 HB2 SER 3 HB2 SER 3 -8.699 6.027 0.275 21 HB3 SER 3 HB3 SER 3 -9.570 4.503 0.146 22 H HIS 4 H HIS 4 -7.165 6.833 -1.530 23 HA HIS 4 HA HIS 4 -4.342 6.685 -1.942 24 HB2 HIS 4 HB2 HIS 4 -5.971 8.431 -2.902 25 HB3 HIS 4 HB3 HIS 4 -5.952 9.187 -1.325 26 HD1 HIS 4 HD1 HIS 4 -5.044 11.298 -2.776 27 HD2 HIS 4 HD2 HIS 4 -2.457 8.072 -2.452 28 HE1 HIS 4 HE1 HIS 4 -2.813 12.160 -3.485 29 HE2 HIS 4 HE2 HIS 4 -1.441 10.066 -3.706 30 H TYR 5 H TYR 5 -2.725 6.913 -0.442 31 HA TYR 5 HA TYR 5 -1.639 7.145 1.439 32 HB2 TYR 5 HB2 TYR 5 -4.000 8.794 2.260 33 HB3 TYR 5 HB3 TYR 5 -2.710 8.453 3.411 34 HD1 TYR 5 HD1 TYR 5 -0.465 9.342 3.021 35 HD2 TYR 5 HD2 TYR 5 -3.688 10.360 0.460 36 HE1 TYR 5 HE1 TYR 5 0.845 11.207 2.139 37 HE2 TYR 5 HE2 TYR 5 -2.380 12.235 -0.445 38 HH TYR 5 HH TYR 5 -0.505 13.663 0.309 39 H GLY 6 H GLY 6 -4.020 5.208 0.966 40 HA2 GLY 6 HA2 GLY 6 -4.181 4.025 3.629 41 HA3 GLY 6 HA3 GLY 6 -5.024 3.526 2.179 42 H GLN 7 H GLN 7 -3.787 1.628 3.735 43 HA GLN 7 HA GLN 7 -1.138 1.120 2.745 44 HB2 GLN 7 HB2 GLN 7 -1.972 0.503 5.064 45 HB3 GLN 7 HB3 GLN 7 -2.936 -0.753 4.303 46 HG2 GLN 7 HG2 GLN 7 -0.936 -1.835 3.485 47 HG3 GLN 7 HG3 GLN 7 0.070 -0.553 4.146 48 HE21 GLN 7 HE21 GLN 7 0.281 -3.320 4.764 49 HE22 GLN 7 HE22 GLN 7 -0.088 -3.512 6.420 50 H CYS 8 H CYS 8 -0.622 -0.129 1.035 51 HA CYS 8 HA CYS 8 -2.924 -1.246 -0.437 52 HB2 CYS 8 HB2 CYS 8 -1.626 -0.815 -2.458 53 HB3 CYS 8 HB3 CYS 8 -2.014 0.631 -1.531 54 H GLY 9 H GLY 9 -0.471 -2.538 1.299 55 HA2 GLY 9 HA2 GLY 9 -0.685 -5.091 0.739 56 HA3 GLY 9 HA3 GLY 9 0.011 -4.569 -0.779 57 H GLY 10 H GLY 10 0.565 -4.575 2.663 58 HA2 GLY 10 HA2 GLY 10 3.437 -4.815 2.137 59 HA3 GLY 10 HA3 GLY 10 2.702 -4.466 3.705 60 H ILE 11 H ILE 11 4.434 -6.501 3.703 61 HA ILE 11 HA ILE 11 3.420 -9.039 3.130 62 HB ILE 11 HB ILE 11 5.222 -8.250 5.437 63 HG12 ILE 11 HG12 ILE 11 5.967 -9.236 2.673 64 HG13 ILE 11 HG13 ILE 11 6.090 -7.565 3.217 65 HG21 ILE 11 HG21 ILE 11 4.792 -10.944 4.137 66 HG22 ILE 11 HG22 ILE 11 4.273 -10.472 5.753 67 HG23 ILE 11 HG23 ILE 11 5.994 -10.586 5.379 68 HD11 ILE 11 HD11 ILE 11 7.715 -8.230 4.891 69 HD12 ILE 11 HD12 ILE 11 8.241 -8.697 3.266 70 HD13 ILE 11 HD13 ILE 11 7.567 -9.906 4.368 71 H GLY 12 H GLY 12 1.463 -9.704 3.781 72 HA2 GLY 12 HA2 GLY 12 0.300 -10.794 5.557 73 HA3 GLY 12 HA3 GLY 12 0.928 -9.582 6.659 74 H TYR 13 H TYR 13 0.101 -7.882 4.032 75 HA TYR 13 HA TYR 13 -2.437 -7.139 5.257 76 HB2 TYR 13 HB2 TYR 13 -0.868 -5.345 4.609 77 HB3 TYR 13 HB3 TYR 13 -0.942 -5.888 2.941 78 HD1 TYR 13 HD1 TYR 13 -2.500 -4.914 1.492 79 HD2 TYR 13 HD2 TYR 13 -3.118 -4.616 5.678 80 HE1 TYR 13 HE1 TYR 13 -4.357 -3.383 1.092 81 HE2 TYR 13 HE2 TYR 13 -4.993 -3.069 5.290 82 HH TYR 13 HH TYR 13 -6.125 -2.354 2.024 83 H SER 14 H SER 14 -4.110 -8.324 4.688 84 HA SER 14 HA SER 14 -4.205 -9.388 1.975 85 HB2 SER 14 HB2 SER 14 -5.726 -10.241 4.441 86 HB3 SER 14 HB3 SER 14 -5.683 -11.077 2.885 87 HG SER 14 HG SER 14 -3.286 -11.026 3.262 88 H GLY 15 H GLY 15 -5.057 -6.690 3.108 89 HA2 GLY 15 HA2 GLY 15 -7.898 -6.609 2.480 90 HA3 GLY 15 HA3 GLY 15 -6.882 -5.248 2.936 91 HA PRO 16 HA PRO 16 -7.758 -4.896 -1.633 92 HB2 PRO 16 HB2 PRO 16 -7.742 -2.038 -0.808 93 HB3 PRO 16 HB3 PRO 16 -8.887 -2.889 -1.851 94 HG2 PRO 16 HG2 PRO 16 -9.581 -2.203 0.618 95 HG3 PRO 16 HG3 PRO 16 -10.067 -3.770 -0.053 96 HD2 PRO 16 HD2 PRO 16 -7.853 -3.156 1.877 97 HD3 PRO 16 HD3 PRO 16 -9.007 -4.494 1.890 98 H THR 17 H THR 17 -5.863 -5.203 -2.665 99 HA THR 17 HA THR 17 -3.546 -3.585 -1.913 100 HB THR 17 HB THR 17 -2.353 -5.396 -3.304 101 HG1 THR 17 HG1 THR 17 -4.308 -7.191 -2.640 102 HG21 THR 17 HG21 THR 17 -2.204 -5.256 -0.865 103 HG22 THR 17 HG22 THR 17 -2.315 -6.944 -1.378 104 HG23 THR 17 HG23 THR 17 -3.726 -6.128 -0.709 105 H VAL 18 H VAL 18 -5.937 -3.398 -4.073 106 HA VAL 18 HA VAL 18 -4.165 -2.487 -6.223 107 HB VAL 18 HB VAL 18 -7.140 -3.080 -6.372 108 HG11 VAL 18 HG11 VAL 18 -6.843 -2.890 -8.806 109 HG12 VAL 18 HG12 VAL 18 -5.160 -2.433 -8.555 110 HG13 VAL 18 HG13 VAL 18 -6.453 -1.382 -7.977 111 HG21 VAL 18 HG21 VAL 18 -6.495 -5.041 -7.692 112 HG22 VAL 18 HG22 VAL 18 -5.849 -5.123 -6.049 113 HG23 VAL 18 HG23 VAL 18 -4.799 -4.671 -7.392 114 H CYS 19 H CYS 19 -3.757 -0.417 -6.010 115 HA CYS 19 HA CYS 19 -5.314 1.369 -4.486 116 HB2 CYS 19 HB2 CYS 19 -3.071 1.842 -6.437 117 HB3 CYS 19 HB3 CYS 19 -3.743 3.046 -5.343 118 H ALA 20 H ALA 20 -6.376 3.235 -5.189 119 HA ALA 20 HA ALA 20 -8.073 2.960 -7.386 120 HB1 ALA 20 HB1 ALA 20 -7.301 5.448 -5.860 121 HB2 ALA 20 HB2 ALA 20 -8.614 4.334 -5.456 122 HB3 ALA 20 HB3 ALA 20 -8.692 5.285 -6.936 123 H SER 21 H SER 21 -8.075 3.961 -9.394 124 HA SER 21 HA SER 21 -5.663 4.189 -10.733 125 HB2 SER 21 HB2 SER 21 -8.329 5.421 -11.453 126 HB3 SER 21 HB3 SER 21 -7.014 5.030 -12.566 127 HG SER 21 HG SER 21 -7.246 2.824 -11.788 128 H GLY 22 H GLY 22 -4.189 5.768 -10.819 129 HA2 GLY 22 HA2 GLY 22 -3.649 8.090 -11.026 130 HA3 GLY 22 HA3 GLY 22 -4.984 8.446 -9.931 131 H THR 23 H THR 23 -3.985 5.880 -8.426 132 HA THR 23 HA THR 23 -1.796 7.252 -7.064 133 HB THR 23 HB THR 23 -2.483 6.155 -4.981 134 HG1 THR 23 HG1 THR 23 -4.430 4.982 -6.669 135 HG21 THR 23 HG21 THR 23 -4.757 7.629 -6.311 136 HG22 THR 23 HG22 THR 23 -3.399 8.362 -5.457 137 HG23 THR 23 HG23 THR 23 -4.573 7.389 -4.574 138 H THR 24 H THR 24 -0.054 6.014 -6.393 139 HA THR 24 HA THR 24 0.091 3.384 -7.699 140 HB THR 24 HB THR 24 2.582 3.741 -7.703 141 HG1 THR 24 HG1 THR 24 1.781 6.143 -6.487 142 HG21 THR 24 HG21 THR 24 0.923 5.792 -9.168 143 HG22 THR 24 HG22 THR 24 1.284 4.154 -9.719 144 HG23 THR 24 HG23 THR 24 2.576 5.343 -9.570 145 H CYS 25 H CYS 25 0.734 1.618 -6.512 146 HA CYS 25 HA CYS 25 0.713 1.961 -3.663 147 HB2 CYS 25 HB2 CYS 25 -0.369 0.009 -4.589 148 HB3 CYS 25 HB3 CYS 25 1.118 -0.545 -5.344 149 H GLN 26 H GLN 26 2.437 2.710 -2.694 150 HA GLN 26 HA GLN 26 5.039 1.933 -3.746 151 HB2 GLN 26 HB2 GLN 26 4.235 4.235 -1.981 152 HB3 GLN 26 HB3 GLN 26 5.883 3.906 -2.487 153 HG2 GLN 26 HG2 GLN 26 5.149 4.178 -4.844 154 HG3 GLN 26 HG3 GLN 26 3.545 4.607 -4.260 155 HE21 GLN 26 HE21 GLN 26 3.586 6.619 -5.119 156 HE22 GLN 26 HE22 GLN 26 4.615 7.886 -4.515 157 H VAL 27 H VAL 27 5.845 0.270 -2.729 158 HA VAL 27 HA VAL 27 5.152 -0.366 -0.031 159 HB VAL 27 HB VAL 27 7.365 -1.531 -1.778 160 HG11 VAL 27 HG11 VAL 27 6.113 -2.611 0.740 161 HG12 VAL 27 HG12 VAL 27 7.733 -1.940 0.601 162 HG13 VAL 27 HG13 VAL 27 7.323 -3.439 -0.247 163 HG21 VAL 27 HG21 VAL 27 5.164 -1.853 -2.781 164 HG22 VAL 27 HG22 VAL 27 4.572 -2.557 -1.275 165 HG23 VAL 27 HG23 VAL 27 5.822 -3.385 -2.201 166 H LEU 28 H LEU 28 5.773 1.015 1.391 167 HA LEU 28 HA LEU 28 8.173 2.617 1.116 168 HB2 LEU 28 HB2 LEU 28 6.076 2.553 3.280 169 HB3 LEU 28 HB3 LEU 28 7.329 3.765 3.104 170 HG LEU 28 HG LEU 28 5.085 3.298 1.132 171 HD11 LEU 28 HD11 LEU 28 4.252 5.442 1.918 172 HD12 LEU 28 HD12 LEU 28 5.496 5.463 3.178 173 HD13 LEU 28 HD13 LEU 28 4.240 4.218 3.187 174 HD21 LEU 28 HD21 LEU 28 7.097 4.157 0.101 175 HD22 LEU 28 HD22 LEU 28 7.163 5.421 1.338 176 HD23 LEU 28 HD23 LEU 28 5.829 5.390 0.181 177 H ASN 29 H ASN 29 6.872 0.095 3.148 178 HA ASN 29 HA ASN 29 9.503 -0.413 4.313 179 HB2 ASN 29 HB2 ASN 29 6.891 -0.549 5.888 180 HB3 ASN 29 HB3 ASN 29 8.479 -0.918 6.489 181 HD21 ASN 29 HD21 ASN 29 7.370 1.944 4.739 182 HD22 ASN 29 HD22 ASN 29 7.735 3.084 5.981 183 HA PRO 30 HA PRO 30 8.506 -4.582 3.119 184 HB2 PRO 30 HB2 PRO 30 8.664 -5.464 5.960 185 HB3 PRO 30 HB3 PRO 30 9.483 -6.123 4.541 186 HG2 PRO 30 HG2 PRO 30 10.851 -4.637 6.248 187 HG3 PRO 30 HG3 PRO 30 11.085 -4.430 4.502 188 HD2 PRO 30 HD2 PRO 30 9.546 -2.734 6.420 189 HD3 PRO 30 HD3 PRO 30 10.579 -2.233 5.065 190 H TYR 31 H TYR 31 6.790 -3.496 6.053 191 HA TYR 31 HA TYR 31 4.540 -5.176 5.179 192 HB2 TYR 31 HB2 TYR 31 4.893 -3.866 7.892 193 HB3 TYR 31 HB3 TYR 31 3.679 -5.049 7.433 194 HD1 TYR 31 HD1 TYR 31 4.215 -7.400 7.314 195 HD2 TYR 31 HD2 TYR 31 7.227 -4.553 8.263 196 HE1 TYR 31 HE1 TYR 31 5.705 -9.220 8.038 197 HE2 TYR 31 HE2 TYR 31 8.719 -6.353 8.982 198 HH TYR 31 HH TYR 31 8.415 -8.717 9.860 199 H TYR 32 H TYR 32 5.589 -1.930 5.675 200 HA TYR 32 HA TYR 32 2.869 -0.971 5.370 201 HB2 TYR 32 HB2 TYR 32 4.288 0.064 7.120 202 HB3 TYR 32 HB3 TYR 32 5.345 0.675 5.853 203 HD1 TYR 32 HD1 TYR 32 1.710 0.597 6.562 204 HD2 TYR 32 HD2 TYR 32 5.044 2.900 5.284 205 HE1 TYR 32 HE1 TYR 32 0.268 2.549 6.370 206 HE2 TYR 32 HE2 TYR 32 3.628 4.864 5.078 207 HH TYR 32 HH TYR 32 1.254 5.429 4.823 208 H SER 33 H SER 33 2.109 -0.705 3.437 209 HA SER 33 HA SER 33 3.792 0.539 1.380 210 HB2 SER 33 HB2 SER 33 1.625 -1.541 0.922 211 HB3 SER 33 HB3 SER 33 2.711 -0.863 -0.296 212 HG SER 33 HG SER 33 3.306 -2.996 0.561 213 H GLN 34 H GLN 34 2.677 2.210 0.277 214 HA GLN 34 HA GLN 34 -0.055 2.701 1.201 215 HB2 GLN 34 HB2 GLN 34 1.231 3.998 2.714 216 HB3 GLN 34 HB3 GLN 34 2.294 4.561 1.442 217 HG2 GLN 34 HG2 GLN 34 0.539 5.965 0.550 218 HG3 GLN 34 HG3 GLN 34 -0.602 5.307 1.721 219 HE21 GLN 34 HE21 GLN 34 -0.661 6.143 3.755 220 HE22 GLN 34 HE22 GLN 34 0.327 7.451 4.276 221 H CYS 35 H CYS 35 -1.410 3.506 -0.279 222 HA CYS 35 HA CYS 35 -0.553 3.731 -3.011 223 HB2 CYS 35 HB2 CYS 35 -3.207 4.521 -1.794 224 HB3 CYS 35 HB3 CYS 35 -2.841 4.382 -3.508 225 H LEU 36 H LEU 36 0.592 5.409 -3.568 226 HA LEU 36 HA LEU 36 -0.340 8.045 -2.746 227 HB2 LEU 36 HB2 LEU 36 2.466 7.123 -3.361 228 HB3 LEU 36 HB3 LEU 36 2.009 8.802 -3.176 229 HG LEU 36 HG LEU 36 1.779 6.714 -1.012 230 HD11 LEU 36 HD11 LEU 36 3.779 8.941 -1.390 231 HD12 LEU 36 HD12 LEU 36 4.109 7.214 -1.541 232 HD13 LEU 36 HD13 LEU 36 3.655 7.891 0.023 233 HD21 LEU 36 HD21 LEU 36 1.375 9.701 -0.990 234 HD22 LEU 36 HD22 LEU 36 1.386 8.659 0.432 235 HD23 LEU 36 HD23 LEU 36 0.127 8.472 -0.786 236 H1 MAN 101 H1 MAN 101 -9.282 5.704 2.529 237 H2 MAN 101 H2 MAN 101 -7.203 5.302 3.892 238 H3 MAN 101 H3 MAN 101 -6.731 3.044 3.203 239 H4 MAN 101 H4 MAN 101 -9.203 2.315 4.796 240 H5 MAN 101 H5 MAN 101 -8.728 2.116 1.778 241 H61 MAN 101 H61 MAN 101 -10.241 0.412 2.839 242 H62 MAN 101 H62 MAN 101 -11.016 1.412 1.591 243 HO2 MAN 101 HO2 MAN 101 -8.333 4.543 5.759 244 HO3 MAN 101 HO3 MAN 101 -6.591 2.163 5.359 245 HO4 MAN 101 HO4 MAN 101 -8.572 0.201 4.003 246 HO6 MAN 101 HO6 MAN 101 -11.860 2.705 3.224 Start of MODEL 3 1 H1 THR 1 H1 THR 1 -11.300 -1.048 -4.483 2 H2 THR 1 H2 THR 1 -11.458 -0.691 -6.117 3 H3 THR 1 H3 THR 1 -11.866 0.477 -4.949 4 HA THR 1 HA THR 1 -9.189 -0.501 -5.556 5 HB THR 1 HB THR 1 -8.977 2.043 -5.895 6 HG1 THR 1 HG1 THR 1 -11.122 2.859 -6.709 7 HG21 THR 1 HG21 THR 1 -10.586 0.429 -7.896 8 HG22 THR 1 HG22 THR 1 -8.831 0.391 -7.731 9 HG23 THR 1 HG23 THR 1 -9.633 1.871 -8.251 10 H GLN 2 H GLN 2 -7.677 -0.035 -4.059 11 HA GLN 2 HA GLN 2 -8.455 0.675 -1.433 12 HB2 GLN 2 HB2 GLN 2 -6.607 -0.892 -1.863 13 HB3 GLN 2 HB3 GLN 2 -5.713 0.367 -2.703 14 HG2 GLN 2 HG2 GLN 2 -4.911 -0.016 -0.415 15 HG3 GLN 2 HG3 GLN 2 -5.486 1.625 -0.692 16 HE21 GLN 2 HE21 GLN 2 -6.060 2.128 1.177 17 HE22 GLN 2 HE22 GLN 2 -7.255 1.400 2.219 18 H SER 3 H SER 3 -8.065 2.613 -0.338 19 HA SER 3 HA SER 3 -8.354 4.857 -2.036 20 HB2 SER 3 HB2 SER 3 -8.824 6.045 0.021 21 HB3 SER 3 HB3 SER 3 -9.699 4.512 0.010 22 H HIS 4 H HIS 4 -7.260 6.828 -1.440 23 HA HIS 4 HA HIS 4 -4.439 6.639 -1.899 24 HB2 HIS 4 HB2 HIS 4 -6.206 8.434 -2.634 25 HB3 HIS 4 HB3 HIS 4 -5.911 9.128 -1.052 26 HD1 HIS 4 HD1 HIS 4 -5.312 10.820 -3.461 27 HD2 HIS 4 HD2 HIS 4 -2.486 8.292 -1.786 28 HE1 HIS 4 HE1 HIS 4 -3.115 11.644 -4.288 29 HE2 HIS 4 HE2 HIS 4 -1.615 9.744 -3.716 30 H TYR 5 H TYR 5 -2.832 6.842 -0.348 31 HA TYR 5 HA TYR 5 -1.787 6.964 1.593 32 HB2 TYR 5 HB2 TYR 5 -4.219 8.470 2.521 33 HB3 TYR 5 HB3 TYR 5 -2.869 8.127 3.602 34 HD1 TYR 5 HD1 TYR 5 -4.159 10.273 1.040 35 HD2 TYR 5 HD2 TYR 5 -0.600 9.023 2.977 36 HE1 TYR 5 HE1 TYR 5 -3.013 12.274 0.215 37 HE2 TYR 5 HE2 TYR 5 0.560 11.017 2.156 38 HH TYR 5 HH TYR 5 -1.038 13.652 0.882 39 H GLY 6 H GLY 6 -4.025 4.982 0.919 40 HA2 GLY 6 HA2 GLY 6 -4.306 3.764 3.538 41 HA3 GLY 6 HA3 GLY 6 -5.088 3.298 2.045 42 H GLN 7 H GLN 7 -3.648 1.598 3.864 43 HA GLN 7 HA GLN 7 -1.128 0.937 2.740 44 HB2 GLN 7 HB2 GLN 7 -1.955 0.383 5.075 45 HB3 GLN 7 HB3 GLN 7 -2.936 -0.883 4.347 46 HG2 GLN 7 HG2 GLN 7 -0.916 -1.983 3.551 47 HG3 GLN 7 HG3 GLN 7 0.088 -0.714 4.243 48 HE21 GLN 7 HE21 GLN 7 0.349 -3.431 4.939 49 HE22 GLN 7 HE22 GLN 7 -0.176 -3.638 6.553 50 H CYS 8 H CYS 8 -0.722 -0.187 0.946 51 HA CYS 8 HA CYS 8 -3.040 -1.341 -0.453 52 HB2 CYS 8 HB2 CYS 8 -1.694 -1.051 -2.482 53 HB3 CYS 8 HB3 CYS 8 -2.056 0.445 -1.633 54 H GLY 9 H GLY 9 -0.783 -2.635 1.405 55 HA2 GLY 9 HA2 GLY 9 -0.981 -5.166 1.162 56 HA3 GLY 9 HA3 GLY 9 -0.515 -4.880 -0.497 57 H GLY 10 H GLY 10 0.591 -4.358 2.769 58 HA2 GLY 10 HA2 GLY 10 3.346 -4.917 1.906 59 HA3 GLY 10 HA3 GLY 10 2.851 -4.268 3.476 60 H ILE 11 H ILE 11 4.429 -6.340 3.758 61 HA ILE 11 HA ILE 11 3.280 -8.883 3.635 62 HB ILE 11 HB ILE 11 5.272 -7.882 5.703 63 HG12 ILE 11 HG12 ILE 11 5.755 -9.274 3.052 64 HG13 ILE 11 HG13 ILE 11 6.025 -7.565 3.361 65 HG21 ILE 11 HG21 ILE 11 4.608 -10.700 4.820 66 HG22 ILE 11 HG22 ILE 11 4.230 -9.983 6.385 67 HG23 ILE 11 HG23 ILE 11 5.912 -10.256 5.922 68 HD11 ILE 11 HD11 ILE 11 8.106 -8.812 3.398 69 HD12 ILE 11 HD12 ILE 11 7.481 -9.851 4.679 70 HD13 ILE 11 HD13 ILE 11 7.757 -8.136 4.989 71 H GLY 12 H GLY 12 1.476 -9.589 4.502 72 HA2 GLY 12 HA2 GLY 12 0.424 -10.312 6.536 73 HA3 GLY 12 HA3 GLY 12 0.834 -8.753 7.237 74 H TYR 13 H TYR 13 0.068 -7.426 4.681 75 HA TYR 13 HA TYR 13 -2.684 -6.955 5.459 76 HB2 TYR 13 HB2 TYR 13 -1.112 -5.104 4.800 77 HB3 TYR 13 HB3 TYR 13 -1.128 -5.733 3.167 78 HD1 TYR 13 HD1 TYR 13 -3.232 -4.185 5.784 79 HD2 TYR 13 HD2 TYR 13 -2.911 -5.142 1.655 80 HE1 TYR 13 HE1 TYR 13 -5.174 -2.749 5.299 81 HE2 TYR 13 HE2 TYR 13 -4.839 -3.723 1.168 82 HH TYR 13 HH TYR 13 -6.558 -2.608 2.068 83 H SER 14 H SER 14 -4.211 -8.222 4.827 84 HA SER 14 HA SER 14 -4.037 -9.616 2.280 85 HB2 SER 14 HB2 SER 14 -5.964 -10.888 3.404 86 HB3 SER 14 HB3 SER 14 -4.332 -11.138 4.029 87 HG SER 14 HG SER 14 -6.416 -10.421 5.376 88 H GLY 15 H GLY 15 -5.337 -6.835 3.453 89 HA2 GLY 15 HA2 GLY 15 -7.974 -6.934 2.344 90 HA3 GLY 15 HA3 GLY 15 -7.121 -5.497 2.871 91 HA PRO 16 HA PRO 16 -7.707 -5.221 -1.777 92 HB2 PRO 16 HB2 PRO 16 -7.850 -2.368 -0.917 93 HB3 PRO 16 HB3 PRO 16 -8.862 -3.242 -2.076 94 HG2 PRO 16 HG2 PRO 16 -9.819 -2.668 0.318 95 HG3 PRO 16 HG3 PRO 16 -10.115 -4.263 -0.395 96 HD2 PRO 16 HD2 PRO 16 -8.116 -3.491 1.708 97 HD3 PRO 16 HD3 PRO 16 -9.170 -4.910 1.639 98 H THR 17 H THR 17 -5.927 -5.220 -2.957 99 HA THR 17 HA THR 17 -3.598 -3.691 -2.055 100 HB THR 17 HB THR 17 -2.331 -5.409 -3.440 101 HG1 THR 17 HG1 THR 17 -3.643 -7.426 -3.513 102 HG21 THR 17 HG21 THR 17 -2.436 -5.467 -0.990 103 HG22 THR 17 HG22 THR 17 -2.438 -7.101 -1.663 104 HG23 THR 17 HG23 THR 17 -3.937 -6.386 -1.073 105 H VAL 18 H VAL 18 -5.969 -3.504 -4.265 106 HA VAL 18 HA VAL 18 -4.230 -2.477 -6.387 107 HB VAL 18 HB VAL 18 -7.200 -3.137 -6.474 108 HG11 VAL 18 HG11 VAL 18 -7.062 -2.682 -8.885 109 HG12 VAL 18 HG12 VAL 18 -5.390 -2.153 -8.680 110 HG13 VAL 18 HG13 VAL 18 -6.699 -1.242 -7.932 111 HG21 VAL 18 HG21 VAL 18 -6.532 -4.918 -8.014 112 HG22 VAL 18 HG22 VAL 18 -5.744 -5.112 -6.442 113 HG23 VAL 18 HG23 VAL 18 -4.842 -4.465 -7.808 114 H CYS 19 H CYS 19 -3.785 -0.402 -6.166 115 HA CYS 19 HA CYS 19 -5.279 1.342 -4.549 116 HB2 CYS 19 HB2 CYS 19 -3.045 1.850 -6.495 117 HB3 CYS 19 HB3 CYS 19 -3.687 3.031 -5.367 118 H ALA 20 H ALA 20 -6.011 3.426 -5.231 119 HA ALA 20 HA ALA 20 -7.988 3.337 -7.242 120 HB1 ALA 20 HB1 ALA 20 -8.237 4.609 -5.200 121 HB2 ALA 20 HB2 ALA 20 -8.325 5.693 -6.594 122 HB3 ALA 20 HB3 ALA 20 -6.857 5.611 -5.630 123 H SER 21 H SER 21 -8.172 4.919 -9.009 124 HA SER 21 HA SER 21 -6.030 4.759 -10.786 125 HB2 SER 21 HB2 SER 21 -8.394 6.632 -10.910 126 HB3 SER 21 HB3 SER 21 -7.484 5.961 -12.260 127 HG SER 21 HG SER 21 -8.410 4.005 -11.948 128 H GLY 22 H GLY 22 -4.238 5.923 -10.719 129 HA2 GLY 22 HA2 GLY 22 -3.201 8.049 -11.019 130 HA3 GLY 22 HA3 GLY 22 -4.386 8.739 -9.911 131 H THR 23 H THR 23 -3.845 6.048 -8.367 132 HA THR 23 HA THR 23 -1.583 7.223 -6.937 133 HB THR 23 HB THR 23 -2.376 6.098 -4.917 134 HG1 THR 23 HG1 THR 23 -4.306 5.045 -6.710 135 HG21 THR 23 HG21 THR 23 -4.447 7.375 -4.558 136 HG22 THR 23 HG22 THR 23 -4.556 7.664 -6.293 137 HG23 THR 23 HG23 THR 23 -3.216 8.340 -5.369 138 H THR 24 H THR 24 0.077 5.989 -6.294 139 HA THR 24 HA THR 24 0.302 3.420 -7.668 140 HB THR 24 HB THR 24 2.807 3.811 -7.327 141 HG1 THR 24 HG1 THR 24 1.776 6.302 -6.434 142 HG21 THR 24 HG21 THR 24 1.257 5.694 -9.105 143 HG22 THR 24 HG22 THR 24 1.741 4.047 -9.505 144 HG23 THR 24 HG23 THR 24 2.964 5.299 -9.295 145 H CYS 25 H CYS 25 0.798 1.602 -6.511 146 HA CYS 25 HA CYS 25 0.703 1.829 -3.652 147 HB2 CYS 25 HB2 CYS 25 -0.418 -0.064 -4.658 148 HB3 CYS 25 HB3 CYS 25 1.055 -0.610 -5.439 149 H GLN 26 H GLN 26 2.430 2.712 -2.802 150 HA GLN 26 HA GLN 26 5.018 1.924 -3.823 151 HB2 GLN 26 HB2 GLN 26 4.215 4.210 -2.051 152 HB3 GLN 26 HB3 GLN 26 5.867 3.866 -2.554 153 HG2 GLN 26 HG2 GLN 26 5.207 4.127 -4.889 154 HG3 GLN 26 HG3 GLN 26 3.563 4.488 -4.376 155 HE21 GLN 26 HE21 GLN 26 3.565 6.433 -5.298 156 HE22 GLN 26 HE22 GLN 26 4.452 7.787 -4.696 157 H VAL 27 H VAL 27 6.055 0.437 -2.856 158 HA VAL 27 HA VAL 27 5.424 -0.413 -0.205 159 HB VAL 27 HB VAL 27 7.820 -1.151 -1.933 160 HG11 VAL 27 HG11 VAL 27 6.587 -2.581 0.417 161 HG12 VAL 27 HG12 VAL 27 8.114 -1.703 0.423 162 HG13 VAL 27 HG13 VAL 27 7.946 -3.167 -0.545 163 HG21 VAL 27 HG21 VAL 27 5.749 -1.688 -3.109 164 HG22 VAL 27 HG22 VAL 27 5.160 -2.560 -1.693 165 HG23 VAL 27 HG23 VAL 27 6.561 -3.161 -2.575 166 H LEU 28 H LEU 28 5.834 1.136 1.212 167 HA LEU 28 HA LEU 28 8.163 2.817 1.035 168 HB2 LEU 28 HB2 LEU 28 5.990 2.610 3.118 169 HB3 LEU 28 HB3 LEU 28 7.228 3.850 3.087 170 HG LEU 28 HG LEU 28 5.172 3.460 0.901 171 HD11 LEU 28 HD11 LEU 28 4.110 4.184 2.976 172 HD12 LEU 28 HD12 LEU 28 4.124 5.470 1.769 173 HD13 LEU 28 HD13 LEU 28 5.270 5.506 3.108 174 HD21 LEU 28 HD21 LEU 28 5.920 5.660 0.175 175 HD22 LEU 28 HD22 LEU 28 7.237 4.480 0.145 176 HD23 LEU 28 HD23 LEU 28 7.128 5.659 1.462 177 H ASN 29 H ASN 29 7.004 0.114 2.877 178 HA ASN 29 HA ASN 29 9.662 -0.457 3.851 179 HB2 ASN 29 HB2 ASN 29 7.223 -0.323 5.690 180 HB3 ASN 29 HB3 ASN 29 8.813 -0.911 6.117 181 HD21 ASN 29 HD21 ASN 29 6.892 1.901 5.530 182 HD22 ASN 29 HD22 ASN 29 7.992 3.061 6.172 183 HA PRO 30 HA PRO 30 8.398 -4.568 2.737 184 HB2 PRO 30 HB2 PRO 30 8.734 -5.499 5.537 185 HB3 PRO 30 HB3 PRO 30 9.404 -6.176 4.050 186 HG2 PRO 30 HG2 PRO 30 10.972 -4.770 5.656 187 HG3 PRO 30 HG3 PRO 30 11.070 -4.541 3.900 188 HD2 PRO 30 HD2 PRO 30 9.771 -2.822 5.967 189 HD3 PRO 30 HD3 PRO 30 10.703 -2.343 4.535 190 H TYR 31 H TYR 31 6.975 -3.567 5.863 191 HA TYR 31 HA TYR 31 4.621 -5.206 5.215 192 HB2 TYR 31 HB2 TYR 31 5.244 -3.713 7.784 193 HB3 TYR 31 HB3 TYR 31 3.941 -4.853 7.520 194 HD1 TYR 31 HD1 TYR 31 4.265 -7.147 7.934 195 HD2 TYR 31 HD2 TYR 31 7.666 -4.609 7.661 196 HE1 TYR 31 HE1 TYR 31 5.690 -8.964 8.725 197 HE2 TYR 31 HE2 TYR 31 9.092 -6.392 8.442 198 HH TYR 31 HH TYR 31 8.942 -8.445 9.694 199 H TYR 32 H TYR 32 5.749 -1.950 5.494 200 HA TYR 32 HA TYR 32 3.028 -0.950 5.315 201 HB2 TYR 32 HB2 TYR 32 4.618 0.071 6.945 202 HB3 TYR 32 HB3 TYR 32 5.546 0.667 5.575 203 HD1 TYR 32 HD1 TYR 32 5.291 2.947 5.328 204 HD2 TYR 32 HD2 TYR 32 1.915 0.575 6.380 205 HE1 TYR 32 HE1 TYR 32 3.909 4.927 5.289 206 HE2 TYR 32 HE2 TYR 32 0.496 2.557 6.336 207 HH TYR 32 HH TYR 32 0.720 4.888 6.604 208 H SER 33 H SER 33 2.179 -0.723 3.405 209 HA SER 33 HA SER 33 3.792 0.483 1.285 210 HB2 SER 33 HB2 SER 33 1.773 -1.760 0.908 211 HB3 SER 33 HB3 SER 33 2.740 -0.997 -0.356 212 HG SER 33 HG SER 33 4.435 -1.824 1.487 213 H GLN 34 H GLN 34 2.643 2.110 0.234 214 HA GLN 34 HA GLN 34 -0.121 2.480 1.114 215 HB2 GLN 34 HB2 GLN 34 1.134 3.786 2.682 216 HB3 GLN 34 HB3 GLN 34 2.145 4.441 1.408 217 HG2 GLN 34 HG2 GLN 34 0.301 5.728 0.547 218 HG3 GLN 34 HG3 GLN 34 -0.787 4.991 1.714 219 HE21 GLN 34 HE21 GLN 34 -0.838 5.762 3.766 220 HE22 GLN 34 HE22 GLN 34 0.073 7.130 4.278 221 H CYS 35 H CYS 35 -1.462 3.357 -0.356 222 HA CYS 35 HA CYS 35 -0.572 3.704 -3.063 223 HB2 CYS 35 HB2 CYS 35 -3.248 4.430 -1.854 224 HB3 CYS 35 HB3 CYS 35 -2.857 4.288 -3.565 225 H LEU 36 H LEU 36 0.494 5.441 -3.631 226 HA LEU 36 HA LEU 36 -0.357 8.029 -2.590 227 HB2 LEU 36 HB2 LEU 36 2.413 7.062 -3.259 228 HB3 LEU 36 HB3 LEU 36 2.021 8.757 -3.027 229 HG LEU 36 HG LEU 36 1.632 6.626 -0.925 230 HD11 LEU 36 HD11 LEU 36 3.557 7.593 0.183 231 HD12 LEU 36 HD12 LEU 36 3.781 8.727 -1.147 232 HD13 LEU 36 HD13 LEU 36 4.015 6.997 -1.414 233 HD21 LEU 36 HD21 LEU 36 1.441 9.631 -0.831 234 HD22 LEU 36 HD22 LEU 36 1.336 8.553 0.558 235 HD23 LEU 36 HD23 LEU 36 0.101 8.493 -0.690 236 H1 MAN 101 H1 MAN 101 -9.186 6.020 2.323 237 H2 MAN 101 H2 MAN 101 -7.049 5.584 3.471 238 H3 MAN 101 H3 MAN 101 -6.872 3.209 2.810 239 H4 MAN 101 H4 MAN 101 -9.054 2.834 4.859 240 H5 MAN 101 H5 MAN 101 -9.096 2.355 1.828 241 H61 MAN 101 H61 MAN 101 -11.227 2.246 3.986 242 H62 MAN 101 H62 MAN 101 -10.576 0.838 3.144 243 HO2 MAN 101 HO2 MAN 101 -8.911 6.143 4.692 244 HO3 MAN 101 HO3 MAN 101 -7.041 3.711 5.598 245 HO4 MAN 101 HO4 MAN 101 -7.414 1.248 4.689 246 HO6 MAN 101 HO6 MAN 101 -11.865 3.057 1.866 Start of MODEL 4 1 H1 THR 1 H1 THR 1 -11.090 -1.452 -4.145 2 H2 THR 1 H2 THR 1 -11.497 -0.910 -5.710 3 H3 THR 1 H3 THR 1 -11.851 0.041 -4.355 4 HA THR 1 HA THR 1 -9.164 -0.608 -5.247 5 HB THR 1 HB THR 1 -9.200 1.941 -5.576 6 HG1 THR 1 HG1 THR 1 -11.240 2.824 -5.937 7 HG21 THR 1 HG21 THR 1 -9.052 0.356 -7.447 8 HG22 THR 1 HG22 THR 1 -10.087 1.725 -7.852 9 HG23 THR 1 HG23 THR 1 -10.809 0.174 -7.433 10 H GLN 2 H GLN 2 -7.595 0.013 -3.894 11 HA GLN 2 HA GLN 2 -8.267 0.680 -1.199 12 HB2 GLN 2 HB2 GLN 2 -6.362 -0.817 -1.669 13 HB3 GLN 2 HB3 GLN 2 -5.593 0.441 -2.618 14 HG2 GLN 2 HG2 GLN 2 -4.609 0.266 -0.357 15 HG3 GLN 2 HG3 GLN 2 -5.345 1.822 -0.697 16 HE21 GLN 2 HE21 GLN 2 -5.741 2.355 1.150 17 HE22 GLN 2 HE22 GLN 2 -6.821 1.657 2.337 18 H SER 3 H SER 3 -7.893 2.678 -0.184 19 HA SER 3 HA SER 3 -8.255 4.860 -1.974 20 HB2 SER 3 HB2 SER 3 -8.749 6.117 0.002 21 HB3 SER 3 HB3 SER 3 -9.571 4.555 0.104 22 H HIS 4 H HIS 4 -7.132 6.808 -1.669 23 HA HIS 4 HA HIS 4 -4.322 6.669 -1.922 24 HB2 HIS 4 HB2 HIS 4 -5.957 8.410 -2.880 25 HB3 HIS 4 HB3 HIS 4 -5.969 9.114 -1.273 26 HD1 HIS 4 HD1 HIS 4 -5.027 11.317 -2.487 27 HD2 HIS 4 HD2 HIS 4 -2.500 8.031 -2.509 28 HE1 HIS 4 HE1 HIS 4 -2.792 12.184 -3.217 29 HE2 HIS 4 HE2 HIS 4 -1.523 10.047 -3.674 30 H TYR 5 H TYR 5 -2.763 6.893 -0.312 31 HA TYR 5 HA TYR 5 -1.766 7.118 1.642 32 HB2 TYR 5 HB2 TYR 5 -4.183 8.733 2.362 33 HB3 TYR 5 HB3 TYR 5 -2.916 8.422 3.549 34 HD1 TYR 5 HD1 TYR 5 -0.601 9.256 3.075 35 HD2 TYR 5 HD2 TYR 5 -3.942 10.422 0.723 36 HE1 TYR 5 HE1 TYR 5 0.678 11.160 2.218 37 HE2 TYR 5 HE2 TYR 5 -2.667 12.330 -0.143 38 HH TYR 5 HH TYR 5 -0.740 13.716 0.547 39 H GLY 6 H GLY 6 -3.922 5.075 1.028 40 HA2 GLY 6 HA2 GLY 6 -4.190 3.968 3.723 41 HA3 GLY 6 HA3 GLY 6 -5.031 3.445 2.302 42 H GLN 7 H GLN 7 -3.818 1.489 3.749 43 HA GLN 7 HA GLN 7 -1.142 1.035 2.767 44 HB2 GLN 7 HB2 GLN 7 -1.947 0.398 5.090 45 HB3 GLN 7 HB3 GLN 7 -2.918 -0.863 4.338 46 HG2 GLN 7 HG2 GLN 7 -0.870 -1.911 3.491 47 HG3 GLN 7 HG3 GLN 7 0.107 -0.658 4.235 48 HE21 GLN 7 HE21 GLN 7 0.392 -3.404 4.784 49 HE22 GLN 7 HE22 GLN 7 -0.056 -3.676 6.416 50 H CYS 8 H CYS 8 -0.690 -0.110 0.978 51 HA CYS 8 HA CYS 8 -3.005 -1.258 -0.457 52 HB2 CYS 8 HB2 CYS 8 -1.674 -0.889 -2.475 53 HB3 CYS 8 HB3 CYS 8 -2.071 0.579 -1.589 54 H GLY 9 H GLY 9 -0.626 -2.513 1.321 55 HA2 GLY 9 HA2 GLY 9 -0.808 -5.056 0.937 56 HA3 GLY 9 HA3 GLY 9 -0.256 -4.649 -0.674 57 H GLY 10 H GLY 10 0.592 -4.534 2.682 58 HA2 GLY 10 HA2 GLY 10 3.398 -4.803 1.916 59 HA3 GLY 10 HA3 GLY 10 2.797 -4.462 3.547 60 H ILE 11 H ILE 11 4.441 -6.495 3.557 61 HA ILE 11 HA ILE 11 3.338 -9.004 2.972 62 HB ILE 11 HB ILE 11 5.311 -8.314 5.171 63 HG12 ILE 11 HG12 ILE 11 5.790 -9.230 2.325 64 HG13 ILE 11 HG13 ILE 11 6.030 -7.591 2.917 65 HG21 ILE 11 HG21 ILE 11 4.703 -10.960 3.827 66 HG22 ILE 11 HG22 ILE 11 4.307 -10.528 5.489 67 HG23 ILE 11 HG23 ILE 11 5.993 -10.682 4.996 68 HD11 ILE 11 HD11 ILE 11 8.130 -8.781 2.738 69 HD12 ILE 11 HD12 ILE 11 7.511 -10.038 3.819 70 HD13 ILE 11 HD13 ILE 11 7.764 -8.402 4.425 71 H GLY 12 H GLY 12 1.452 -9.690 3.673 72 HA2 GLY 12 HA2 GLY 12 0.328 -10.822 5.423 73 HA3 GLY 12 HA3 GLY 12 0.965 -9.653 6.560 74 H TYR 13 H TYR 13 -0.003 -7.992 3.865 75 HA TYR 13 HA TYR 13 -2.434 -7.175 5.263 76 HB2 TYR 13 HB2 TYR 13 -0.875 -5.416 4.490 77 HB3 TYR 13 HB3 TYR 13 -1.092 -5.962 2.835 78 HD1 TYR 13 HD1 TYR 13 -2.697 -4.871 1.505 79 HD2 TYR 13 HD2 TYR 13 -3.063 -4.709 5.729 80 HE1 TYR 13 HE1 TYR 13 -4.554 -3.290 1.273 81 HE2 TYR 13 HE2 TYR 13 -4.941 -3.122 5.508 82 HH TYR 13 HH TYR 13 -6.267 -2.280 2.351 83 H SER 14 H SER 14 -4.152 -8.353 4.836 84 HA SER 14 HA SER 14 -4.495 -9.553 2.213 85 HB2 SER 14 HB2 SER 14 -6.103 -9.916 4.744 86 HB3 SER 14 HB3 SER 14 -6.163 -10.930 3.303 87 HG SER 14 HG SER 14 -4.883 -11.843 4.907 88 H GLY 15 H GLY 15 -5.088 -6.635 3.168 89 HA2 GLY 15 HA2 GLY 15 -7.940 -6.416 2.564 90 HA3 GLY 15 HA3 GLY 15 -6.869 -5.103 3.042 91 HA PRO 16 HA PRO 16 -7.772 -4.703 -1.526 92 HB2 PRO 16 HB2 PRO 16 -7.726 -1.853 -0.657 93 HB3 PRO 16 HB3 PRO 16 -8.852 -2.669 -1.754 94 HG2 PRO 16 HG2 PRO 16 -9.616 -2.032 0.697 95 HG3 PRO 16 HG3 PRO 16 -10.068 -3.602 0.005 96 HD2 PRO 16 HD2 PRO 16 -7.895 -2.965 1.972 97 HD3 PRO 16 HD3 PRO 16 -9.051 -4.312 1.972 98 H THR 17 H THR 17 -5.959 -5.031 -2.580 99 HA THR 17 HA THR 17 -3.504 -3.592 -1.897 100 HB THR 17 HB THR 17 -2.614 -5.470 -3.441 101 HG1 THR 17 HG1 THR 17 -4.110 -6.781 -4.163 102 HG21 THR 17 HG21 THR 17 -2.532 -7.034 -1.535 103 HG22 THR 17 HG22 THR 17 -3.833 -6.138 -0.751 104 HG23 THR 17 HG23 THR 17 -2.266 -5.372 -0.995 105 H VAL 18 H VAL 18 -5.985 -3.463 -4.079 106 HA VAL 18 HA VAL 18 -4.257 -2.488 -6.244 107 HB VAL 18 HB VAL 18 -7.244 -3.075 -6.308 108 HG11 VAL 18 HG11 VAL 18 -5.346 -2.414 -8.564 109 HG12 VAL 18 HG12 VAL 18 -6.608 -1.360 -7.923 110 HG13 VAL 18 HG13 VAL 18 -7.044 -2.857 -8.746 111 HG21 VAL 18 HG21 VAL 18 -5.910 -5.120 -6.050 112 HG22 VAL 18 HG22 VAL 18 -4.959 -4.678 -7.465 113 HG23 VAL 18 HG23 VAL 18 -6.674 -5.046 -7.635 114 H CYS 19 H CYS 19 -3.818 -0.394 -5.983 115 HA CYS 19 HA CYS 19 -5.425 1.366 -4.473 116 HB2 CYS 19 HB2 CYS 19 -3.179 1.909 -6.397 117 HB3 CYS 19 HB3 CYS 19 -3.853 3.052 -5.248 118 H ALA 20 H ALA 20 -6.511 3.218 -5.201 119 HA ALA 20 HA ALA 20 -8.134 3.029 -7.457 120 HB1 ALA 20 HB1 ALA 20 -7.209 5.493 -5.966 121 HB2 ALA 20 HB2 ALA 20 -8.623 4.514 -5.567 122 HB3 ALA 20 HB3 ALA 20 -8.574 5.424 -7.078 123 H SER 21 H SER 21 -7.880 3.728 -9.559 124 HA SER 21 HA SER 21 -5.312 3.835 -10.602 125 HB2 SER 21 HB2 SER 21 -7.895 4.825 -11.824 126 HB3 SER 21 HB3 SER 21 -6.419 4.412 -12.706 127 HG SER 21 HG SER 21 -7.305 2.514 -12.795 128 H GLY 22 H GLY 22 -3.900 5.407 -10.874 129 HA2 GLY 22 HA2 GLY 22 -3.367 7.714 -11.302 130 HA3 GLY 22 HA3 GLY 22 -4.732 8.157 -10.284 131 H THR 23 H THR 23 -3.911 5.846 -8.402 132 HA THR 23 HA THR 23 -1.727 7.316 -7.130 133 HB THR 23 HB THR 23 -2.417 6.266 -5.011 134 HG1 THR 23 HG1 THR 23 -4.351 4.998 -6.661 135 HG21 THR 23 HG21 THR 23 -4.616 7.355 -4.708 136 HG22 THR 23 HG22 THR 23 -4.709 7.599 -6.454 137 HG23 THR 23 HG23 THR 23 -3.441 8.387 -5.511 138 H THR 24 H THR 24 0.056 6.143 -6.344 139 HA THR 24 HA THR 24 0.341 3.540 -7.651 140 HB THR 24 HB THR 24 2.839 3.984 -7.406 141 HG1 THR 24 HG1 THR 24 1.796 6.384 -6.391 142 HG21 THR 24 HG21 THR 24 1.227 5.875 -9.129 143 HG22 THR 24 HG22 THR 24 1.676 4.224 -9.548 144 HG23 THR 24 HG23 THR 24 2.923 5.461 -9.373 145 H CYS 25 H CYS 25 0.692 1.765 -6.421 146 HA CYS 25 HA CYS 25 0.664 1.999 -3.582 147 HB2 CYS 25 HB2 CYS 25 -0.426 0.085 -4.592 148 HB3 CYS 25 HB3 CYS 25 1.056 -0.441 -5.376 149 H GLN 26 H GLN 26 2.409 2.841 -2.682 150 HA GLN 26 HA GLN 26 5.009 2.045 -3.707 151 HB2 GLN 26 HB2 GLN 26 4.175 4.396 -2.038 152 HB3 GLN 26 HB3 GLN 26 5.843 4.038 -2.465 153 HG2 GLN 26 HG2 GLN 26 5.236 4.223 -4.844 154 HG3 GLN 26 HG3 GLN 26 3.591 4.623 -4.373 155 HE21 GLN 26 HE21 GLN 26 3.640 6.560 -5.337 156 HE22 GLN 26 HE22 GLN 26 4.551 7.914 -4.766 157 H VAL 27 H VAL 27 5.928 0.529 -2.704 158 HA VAL 27 HA VAL 27 5.369 -0.230 -0.025 159 HB VAL 27 HB VAL 27 7.623 -1.047 -1.905 160 HG11 VAL 27 HG11 VAL 27 8.285 -1.399 0.426 161 HG12 VAL 27 HG12 VAL 27 8.000 -2.938 -0.391 162 HG13 VAL 27 HG13 VAL 27 6.791 -2.286 0.718 163 HG21 VAL 27 HG21 VAL 27 5.389 -1.682 -2.657 164 HG22 VAL 27 HG22 VAL 27 5.086 -2.463 -1.107 165 HG23 VAL 27 HG23 VAL 27 6.333 -3.097 -2.183 166 H LEU 28 H LEU 28 5.888 1.043 1.551 167 HA LEU 28 HA LEU 28 8.221 2.791 1.408 168 HB2 LEU 28 HB2 LEU 28 5.935 2.674 3.373 169 HB3 LEU 28 HB3 LEU 28 7.219 3.868 3.400 170 HG LEU 28 HG LEU 28 5.203 3.531 1.170 171 HD11 LEU 28 HD11 LEU 28 4.182 4.428 3.177 172 HD12 LEU 28 HD12 LEU 28 4.323 5.662 1.920 173 HD13 LEU 28 HD13 LEU 28 5.447 5.657 3.283 174 HD21 LEU 28 HD21 LEU 28 6.135 5.646 0.362 175 HD22 LEU 28 HD22 LEU 28 7.313 4.323 0.364 176 HD23 LEU 28 HD23 LEU 28 7.355 5.549 1.643 177 H ASN 29 H ASN 29 6.909 0.114 3.186 178 HA ASN 29 HA ASN 29 9.530 -0.484 4.319 179 HB2 ASN 29 HB2 ASN 29 6.914 -0.789 5.891 180 HB3 ASN 29 HB3 ASN 29 8.488 -1.294 6.423 181 HD21 ASN 29 HD21 ASN 29 7.526 1.842 5.113 182 HD22 ASN 29 HD22 ASN 29 7.870 2.739 6.547 183 HA PRO 30 HA PRO 30 8.338 -4.457 2.630 184 HB2 PRO 30 HB2 PRO 30 8.682 -5.763 5.283 185 HB3 PRO 30 HB3 PRO 30 9.415 -6.177 3.730 186 HG2 PRO 30 HG2 PRO 30 10.860 -4.973 5.599 187 HG3 PRO 30 HG3 PRO 30 11.028 -4.507 3.895 188 HD2 PRO 30 HD2 PRO 30 9.547 -3.136 6.102 189 HD3 PRO 30 HD3 PRO 30 10.561 -2.420 4.827 190 H TYR 31 H TYR 31 6.858 -3.648 5.753 191 HA TYR 31 HA TYR 31 4.546 -5.280 4.956 192 HB2 TYR 31 HB2 TYR 31 5.015 -4.053 7.698 193 HB3 TYR 31 HB3 TYR 31 3.849 -5.276 7.254 194 HD1 TYR 31 HD1 TYR 31 4.437 -7.600 7.255 195 HD2 TYR 31 HD2 TYR 31 7.479 -4.667 7.728 196 HE1 TYR 31 HE1 TYR 31 6.037 -9.360 7.869 197 HE2 TYR 31 HE2 TYR 31 9.079 -6.404 8.346 198 HH TYR 31 HH TYR 31 9.183 -8.551 9.133 199 H TYR 32 H TYR 32 5.615 -2.035 5.524 200 HA TYR 32 HA TYR 32 2.890 -1.025 5.329 201 HB2 TYR 32 HB2 TYR 32 4.368 -0.050 7.059 202 HB3 TYR 32 HB3 TYR 32 5.438 0.521 5.791 203 HD1 TYR 32 HD1 TYR 32 5.314 2.822 5.491 204 HD2 TYR 32 HD2 TYR 32 1.744 0.638 6.335 205 HE1 TYR 32 HE1 TYR 32 4.035 4.873 5.389 206 HE2 TYR 32 HE2 TYR 32 0.449 2.706 6.215 207 HH TYR 32 HH TYR 32 1.813 5.645 5.046 208 H SER 33 H SER 33 2.091 -0.702 3.396 209 HA SER 33 HA SER 33 3.774 0.548 1.345 210 HB2 SER 33 HB2 SER 33 1.646 -1.568 0.854 211 HB3 SER 33 HB3 SER 33 2.697 -0.834 -0.353 212 HG SER 33 HG SER 33 3.316 -2.983 0.475 213 H GLN 34 H GLN 34 2.685 2.250 0.319 214 HA GLN 34 HA GLN 34 -0.085 2.684 1.171 215 HB2 GLN 34 HB2 GLN 34 1.137 3.964 2.743 216 HB3 GLN 34 HB3 GLN 34 2.238 4.564 1.519 217 HG2 GLN 34 HG2 GLN 34 0.521 5.976 0.597 218 HG3 GLN 34 HG3 GLN 34 -0.679 5.267 1.671 219 HE21 GLN 34 HE21 GLN 34 -0.847 6.000 3.735 220 HE22 GLN 34 HE22 GLN 34 0.059 7.314 4.351 221 H CYS 35 H CYS 35 -1.415 3.510 -0.322 222 HA CYS 35 HA CYS 35 -0.502 3.818 -3.037 223 HB2 CYS 35 HB2 CYS 35 -3.190 4.618 -1.902 224 HB3 CYS 35 HB3 CYS 35 -2.769 4.374 -3.595 225 H LEU 36 H LEU 36 0.562 5.555 -3.635 226 HA LEU 36 HA LEU 36 -0.301 8.156 -2.633 227 HB2 LEU 36 HB2 LEU 36 2.474 7.205 -3.317 228 HB3 LEU 36 HB3 LEU 36 2.066 8.885 -3.034 229 HG LEU 36 HG LEU 36 1.730 6.683 -0.999 230 HD11 LEU 36 HD11 LEU 36 3.846 8.824 -1.192 231 HD12 LEU 36 HD12 LEU 36 4.090 7.094 -1.445 232 HD13 LEU 36 HD13 LEU 36 3.622 7.696 0.147 233 HD21 LEU 36 HD21 LEU 36 1.404 8.559 0.560 234 HD22 LEU 36 HD22 LEU 36 0.153 8.473 -0.673 235 HD23 LEU 36 HD23 LEU 36 1.438 9.676 -0.807 236 H1 MAN 101 H1 MAN 101 -8.970 6.342 2.193 237 H2 MAN 101 H2 MAN 101 -6.767 6.061 3.271 238 H3 MAN 101 H3 MAN 101 -6.702 3.610 3.328 239 H4 MAN 101 H4 MAN 101 -8.906 3.915 5.389 240 H5 MAN 101 H5 MAN 101 -8.939 2.679 2.551 241 H61 MAN 101 H61 MAN 101 -11.074 3.041 4.681 242 H62 MAN 101 H62 MAN 101 -10.516 1.492 3.995 243 HO2 MAN 101 HO2 MAN 101 -8.494 7.081 4.284 244 HO3 MAN 101 HO3 MAN 101 -6.859 4.875 5.867 245 HO4 MAN 101 HO4 MAN 101 -7.313 2.272 5.686 246 HO6 MAN 101 HO6 MAN 101 -11.521 3.559 2.320 Start of MODEL 5 1 H1 THR 1 H1 THR 1 -11.700 -0.585 -4.211 2 H2 THR 1 H2 THR 1 -11.696 -0.451 -5.881 3 H3 THR 1 H3 THR 1 -11.802 0.953 -4.916 4 HA THR 1 HA THR 1 -9.521 -0.872 -5.136 5 HB THR 1 HB THR 1 -8.435 1.326 -5.869 6 HG1 THR 1 HG1 THR 1 -10.308 2.515 -7.075 7 HG21 THR 1 HG21 THR 1 -9.089 1.010 -8.185 8 HG22 THR 1 HG22 THR 1 -10.493 0.065 -7.687 9 HG23 THR 1 HG23 THR 1 -8.858 -0.550 -7.396 10 H GLN 2 H GLN 2 -7.633 -0.073 -3.980 11 HA GLN 2 HA GLN 2 -8.275 0.625 -1.320 12 HB2 GLN 2 HB2 GLN 2 -6.391 -0.878 -1.817 13 HB3 GLN 2 HB3 GLN 2 -5.581 0.400 -2.708 14 HG2 GLN 2 HG2 GLN 2 -4.656 0.124 -0.457 15 HG3 GLN 2 HG3 GLN 2 -5.361 1.715 -0.725 16 HE21 GLN 2 HE21 GLN 2 -5.924 2.230 1.144 17 HE22 GLN 2 HE22 GLN 2 -7.039 1.424 2.216 18 H SER 3 H SER 3 -7.961 2.549 -0.238 19 HA SER 3 HA SER 3 -8.332 4.829 -1.866 20 HB2 SER 3 HB2 SER 3 -8.719 5.964 0.228 21 HB3 SER 3 HB3 SER 3 -9.601 4.437 0.194 22 H HIS 4 H HIS 4 -7.217 6.755 -1.575 23 HA HIS 4 HA HIS 4 -4.407 6.620 -1.908 24 HB2 HIS 4 HB2 HIS 4 -6.030 8.388 -2.816 25 HB3 HIS 4 HB3 HIS 4 -6.021 9.093 -1.217 26 HD1 HIS 4 HD1 HIS 4 -5.052 11.245 -2.603 27 HD2 HIS 4 HD2 HIS 4 -2.544 7.970 -2.300 28 HE1 HIS 4 HE1 HIS 4 -2.790 12.049 -3.318 29 HE2 HIS 4 HE2 HIS 4 -1.509 9.897 -3.558 30 H TYR 5 H TYR 5 -2.793 6.882 -0.404 31 HA TYR 5 HA TYR 5 -1.715 7.074 1.497 32 HB2 TYR 5 HB2 TYR 5 -4.161 8.548 2.413 33 HB3 TYR 5 HB3 TYR 5 -2.762 8.334 3.479 34 HD1 TYR 5 HD1 TYR 5 -4.226 10.224 0.781 35 HD2 TYR 5 HD2 TYR 5 -0.567 9.348 2.748 36 HE1 TYR 5 HE1 TYR 5 -3.198 12.193 -0.266 37 HE2 TYR 5 HE2 TYR 5 0.473 11.311 1.712 38 HH TYR 5 HH TYR 5 -1.319 13.713 0.063 39 H GLY 6 H GLY 6 -3.960 5.037 0.908 40 HA2 GLY 6 HA2 GLY 6 -4.148 3.859 3.566 41 HA3 GLY 6 HA3 GLY 6 -5.015 3.361 2.139 42 H GLN 7 H GLN 7 -3.641 1.572 3.774 43 HA GLN 7 HA GLN 7 -1.065 0.971 2.701 44 HB2 GLN 7 HB2 GLN 7 -1.901 0.440 5.037 45 HB3 GLN 7 HB3 GLN 7 -2.885 -0.829 4.310 46 HG2 GLN 7 HG2 GLN 7 -0.895 -1.980 3.576 47 HG3 GLN 7 HG3 GLN 7 0.133 -0.692 4.196 48 HE21 GLN 7 HE21 GLN 7 0.298 -3.411 4.976 49 HE22 GLN 7 HE22 GLN 7 -0.124 -3.545 6.620 50 H CYS 8 H CYS 8 -0.678 -0.120 0.868 51 HA CYS 8 HA CYS 8 -2.980 -1.358 -0.480 52 HB2 CYS 8 HB2 CYS 8 -1.657 -1.052 -2.527 53 HB3 CYS 8 HB3 CYS 8 -2.085 0.442 -1.708 54 H GLY 9 H GLY 9 -0.793 -2.619 1.387 55 HA2 GLY 9 HA2 GLY 9 -0.922 -5.146 1.103 56 HA3 GLY 9 HA3 GLY 9 -0.405 -4.829 -0.538 57 H GLY 10 H GLY 10 0.572 -4.400 2.777 58 HA2 GLY 10 HA2 GLY 10 3.327 -4.944 1.949 59 HA3 GLY 10 HA3 GLY 10 2.830 -4.345 3.543 60 H ILE 11 H ILE 11 4.356 -6.449 3.811 61 HA ILE 11 HA ILE 11 3.140 -8.975 3.651 62 HB ILE 11 HB ILE 11 5.077 -7.994 5.786 63 HG12 ILE 11 HG12 ILE 11 5.670 -9.357 3.145 64 HG13 ILE 11 HG13 ILE 11 5.936 -7.652 3.486 65 HG21 ILE 11 HG21 ILE 11 4.459 -10.793 4.833 66 HG22 ILE 11 HG22 ILE 11 3.989 -10.102 6.383 67 HG23 ILE 11 HG23 ILE 11 5.696 -10.365 6.015 68 HD11 ILE 11 HD11 ILE 11 7.581 -8.257 5.194 69 HD12 ILE 11 HD12 ILE 11 8.012 -8.899 3.608 70 HD13 ILE 11 HD13 ILE 11 7.318 -9.965 4.832 71 H GLY 12 H GLY 12 1.291 -9.628 4.618 72 HA2 GLY 12 HA2 GLY 12 0.168 -10.144 6.681 73 HA3 GLY 12 HA3 GLY 12 0.725 -8.600 7.308 74 H TYR 13 H TYR 13 0.021 -7.394 4.607 75 HA TYR 13 HA TYR 13 -2.725 -6.853 5.394 76 HB2 TYR 13 HB2 TYR 13 -1.168 -4.953 4.884 77 HB3 TYR 13 HB3 TYR 13 -1.098 -5.514 3.218 78 HD1 TYR 13 HD1 TYR 13 -2.808 -4.888 1.665 79 HD2 TYR 13 HD2 TYR 13 -3.365 -4.193 5.819 80 HE1 TYR 13 HE1 TYR 13 -4.786 -3.547 1.159 81 HE2 TYR 13 HE2 TYR 13 -5.363 -2.836 5.325 82 HH TYR 13 HH TYR 13 -6.548 -2.487 2.007 83 H SER 14 H SER 14 -4.176 -8.135 4.611 84 HA SER 14 HA SER 14 -3.740 -9.352 1.987 85 HB2 SER 14 HB2 SER 14 -5.555 -10.248 4.230 86 HB3 SER 14 HB3 SER 14 -5.130 -11.154 2.776 87 HG SER 14 HG SER 14 -2.834 -10.538 3.809 88 H GLY 15 H GLY 15 -5.152 -6.762 3.152 89 HA2 GLY 15 HA2 GLY 15 -7.826 -6.945 2.079 90 HA3 GLY 15 HA3 GLY 15 -7.034 -5.502 2.686 91 HA PRO 16 HA PRO 16 -7.541 -5.029 -1.925 92 HB2 PRO 16 HB2 PRO 16 -7.717 -2.217 -0.942 93 HB3 PRO 16 HB3 PRO 16 -8.672 -3.033 -2.190 94 HG2 PRO 16 HG2 PRO 16 -9.722 -2.597 0.191 95 HG3 PRO 16 HG3 PRO 16 -9.979 -4.154 -0.623 96 HD2 PRO 16 HD2 PRO 16 -8.084 -3.484 1.604 97 HD3 PRO 16 HD3 PRO 16 -9.111 -4.915 1.384 98 H THR 17 H THR 17 -5.703 -5.146 -2.919 99 HA THR 17 HA THR 17 -3.381 -3.605 -2.048 100 HB THR 17 HB THR 17 -2.182 -5.222 -3.598 101 HG1 THR 17 HG1 THR 17 -4.506 -6.783 -3.354 102 HG21 THR 17 HG21 THR 17 -2.252 -5.507 -1.151 103 HG22 THR 17 HG22 THR 17 -2.254 -7.064 -1.980 104 HG23 THR 17 HG23 THR 17 -3.752 -6.416 -1.302 105 H VAL 18 H VAL 18 -5.792 -3.592 -4.325 106 HA VAL 18 HA VAL 18 -4.183 -2.351 -6.429 107 HB VAL 18 HB VAL 18 -7.141 -3.066 -6.450 108 HG11 VAL 18 HG11 VAL 18 -7.048 -2.643 -8.861 109 HG12 VAL 18 HG12 VAL 18 -5.363 -2.143 -8.714 110 HG13 VAL 18 HG13 VAL 18 -6.633 -1.189 -7.948 111 HG21 VAL 18 HG21 VAL 18 -5.693 -5.047 -6.413 112 HG22 VAL 18 HG22 VAL 18 -4.821 -4.421 -7.813 113 HG23 VAL 18 HG23 VAL 18 -6.517 -4.877 -7.962 114 H CYS 19 H CYS 19 -3.822 -0.292 -6.155 115 HA CYS 19 HA CYS 19 -5.401 1.379 -4.488 116 HB2 CYS 19 HB2 CYS 19 -3.178 1.997 -6.423 117 HB3 CYS 19 HB3 CYS 19 -3.847 3.107 -5.235 118 H ALA 20 H ALA 20 -6.408 3.331 -5.210 119 HA ALA 20 HA ALA 20 -8.079 3.008 -7.431 120 HB1 ALA 20 HB1 ALA 20 -8.730 5.332 -7.016 121 HB2 ALA 20 HB2 ALA 20 -7.374 5.515 -5.893 122 HB3 ALA 20 HB3 ALA 20 -8.683 4.387 -5.531 123 H SER 21 H SER 21 -7.916 3.736 -9.486 124 HA SER 21 HA SER 21 -5.477 4.054 -10.728 125 HB2 SER 21 HB2 SER 21 -8.142 5.176 -11.625 126 HB3 SER 21 HB3 SER 21 -6.750 4.872 -12.664 127 HG SER 21 HG SER 21 -8.663 3.194 -12.009 128 H GLY 22 H GLY 22 -3.988 5.633 -10.612 129 HA2 GLY 22 HA2 GLY 22 -3.440 7.971 -10.927 130 HA3 GLY 22 HA3 GLY 22 -4.928 8.372 -10.079 131 H THR 23 H THR 23 -3.856 5.843 -8.364 132 HA THR 23 HA THR 23 -1.889 7.382 -6.846 133 HB THR 23 HB THR 23 -2.621 6.244 -4.804 134 HG1 THR 23 HG1 THR 23 -4.505 5.049 -6.551 135 HG21 THR 23 HG21 THR 23 -4.870 7.661 -6.216 136 HG22 THR 23 HG22 THR 23 -3.598 8.392 -5.222 137 HG23 THR 23 HG23 THR 23 -4.805 7.349 -4.483 138 H THR 24 H THR 24 -0.130 6.201 -6.133 139 HA THR 24 HA THR 24 0.098 3.649 -7.544 140 HB THR 24 HB THR 24 2.573 4.102 -7.547 141 HG1 THR 24 HG1 THR 24 1.669 6.468 -6.279 142 HG21 THR 24 HG21 THR 24 2.453 5.698 -9.399 143 HG22 THR 24 HG22 THR 24 0.830 6.158 -8.895 144 HG23 THR 24 HG23 THR 24 1.133 4.530 -9.498 145 H CYS 25 H CYS 25 0.589 1.865 -6.455 146 HA CYS 25 HA CYS 25 0.653 1.971 -3.608 147 HB2 CYS 25 HB2 CYS 25 -0.429 0.103 -4.741 148 HB3 CYS 25 HB3 CYS 25 1.088 -0.357 -5.509 149 H GLN 26 H GLN 26 2.395 2.811 -2.742 150 HA GLN 26 HA GLN 26 4.964 2.058 -3.866 151 HB2 GLN 26 HB2 GLN 26 4.174 4.327 -2.060 152 HB3 GLN 26 HB3 GLN 26 5.818 4.019 -2.591 153 HG2 GLN 26 HG2 GLN 26 5.008 4.263 -4.949 154 HG3 GLN 26 HG3 GLN 26 3.444 4.741 -4.303 155 HE21 GLN 26 HE21 GLN 26 3.559 6.725 -5.256 156 HE22 GLN 26 HE22 GLN 26 4.568 7.990 -4.658 157 H VAL 27 H VAL 27 5.859 0.436 -2.920 158 HA VAL 27 HA VAL 27 5.192 -0.324 -0.253 159 HB VAL 27 HB VAL 27 7.426 -1.363 -2.043 160 HG11 VAL 27 HG11 VAL 27 7.743 -1.893 0.316 161 HG12 VAL 27 HG12 VAL 27 7.360 -3.347 -0.609 162 HG13 VAL 27 HG13 VAL 27 6.126 -2.580 0.389 163 HG21 VAL 27 HG21 VAL 27 5.245 -1.653 -3.112 164 HG22 VAL 27 HG22 VAL 27 4.624 -2.430 -1.656 165 HG23 VAL 27 HG23 VAL 27 5.899 -3.208 -2.594 166 H LEU 28 H LEU 28 5.868 0.910 1.282 167 HA LEU 28 HA LEU 28 8.274 2.513 1.012 168 HB2 LEU 28 HB2 LEU 28 6.180 2.418 3.185 169 HB3 LEU 28 HB3 LEU 28 7.472 3.597 3.071 170 HG LEU 28 HG LEU 28 5.260 3.294 1.025 171 HD11 LEU 28 HD11 LEU 28 4.396 5.380 1.923 172 HD12 LEU 28 HD12 LEU 28 5.622 5.352 3.193 173 HD13 LEU 28 HD13 LEU 28 4.374 4.102 3.136 174 HD21 LEU 28 HD21 LEU 28 7.357 5.388 1.417 175 HD22 LEU 28 HD22 LEU 28 6.058 5.437 0.223 176 HD23 LEU 28 HD23 LEU 28 7.319 4.196 0.112 177 H ASN 29 H ASN 29 6.906 0.044 3.103 178 HA ASN 29 HA ASN 29 9.591 -0.632 4.100 179 HB2 ASN 29 HB2 ASN 29 7.019 -0.836 5.761 180 HB3 ASN 29 HB3 ASN 29 8.622 -1.275 6.257 181 HD21 ASN 29 HD21 ASN 29 7.670 1.746 4.698 182 HD22 ASN 29 HD22 ASN 29 8.017 2.777 6.029 183 HA PRO 30 HA PRO 30 8.302 -4.734 2.787 184 HB2 PRO 30 HB2 PRO 30 8.661 -5.754 5.558 185 HB3 PRO 30 HB3 PRO 30 9.341 -6.364 4.047 186 HG2 PRO 30 HG2 PRO 30 10.879 -5.018 5.731 187 HG3 PRO 30 HG3 PRO 30 11.012 -4.736 3.987 188 HD2 PRO 30 HD2 PRO 30 9.661 -3.081 6.077 189 HD3 PRO 30 HD3 PRO 30 10.632 -2.554 4.688 190 H TYR 31 H TYR 31 6.934 -3.687 5.906 191 HA TYR 31 HA TYR 31 4.529 -5.279 5.310 192 HB2 TYR 31 HB2 TYR 31 5.330 -3.771 7.813 193 HB3 TYR 31 HB3 TYR 31 3.862 -4.718 7.639 194 HD1 TYR 31 HD1 TYR 31 3.872 -6.981 8.200 195 HD2 TYR 31 HD2 TYR 31 7.575 -5.023 7.515 196 HE1 TYR 31 HE1 TYR 31 5.065 -8.986 8.941 197 HE2 TYR 31 HE2 TYR 31 8.782 -6.993 8.241 198 HH TYR 31 HH TYR 31 8.336 -9.002 9.682 199 H TYR 32 H TYR 32 5.700 -2.062 5.473 200 HA TYR 32 HA TYR 32 3.005 -1.001 5.314 201 HB2 TYR 32 HB2 TYR 32 4.567 -0.035 6.983 202 HB3 TYR 32 HB3 TYR 32 5.553 0.558 5.655 203 HD1 TYR 32 HD1 TYR 32 5.334 2.815 5.321 204 HD2 TYR 32 HD2 TYR 32 1.908 0.561 6.454 205 HE1 TYR 32 HE1 TYR 32 4.013 4.838 5.256 206 HE2 TYR 32 HE2 TYR 32 0.539 2.577 6.391 207 HH TYR 32 HH TYR 32 1.629 5.501 5.033 208 H SER 33 H SER 33 2.148 -0.708 3.410 209 HA SER 33 HA SER 33 3.798 0.419 1.264 210 HB2 SER 33 HB2 SER 33 1.632 -1.691 0.909 211 HB3 SER 33 HB3 SER 33 2.664 -1.023 -0.355 212 HG SER 33 HG SER 33 3.306 -3.134 0.515 213 H GLN 34 H GLN 34 2.689 2.124 0.224 214 HA GLN 34 HA GLN 34 -0.060 2.550 1.112 215 HB2 GLN 34 HB2 GLN 34 1.144 3.768 2.740 216 HB3 GLN 34 HB3 GLN 34 2.264 4.406 1.553 217 HG2 GLN 34 HG2 GLN 34 0.565 5.870 0.676 218 HG3 GLN 34 HG3 GLN 34 -0.646 5.127 1.716 219 HE21 GLN 34 HE21 GLN 34 -0.844 5.803 3.783 220 HE22 GLN 34 HE22 GLN 34 0.112 7.038 4.490 221 H CYS 35 H CYS 35 -1.376 3.412 -0.339 222 HA CYS 35 HA CYS 35 -0.487 3.806 -3.042 223 HB2 CYS 35 HB2 CYS 35 -3.159 4.545 -1.833 224 HB3 CYS 35 HB3 CYS 35 -2.781 4.367 -3.541 225 H LEU 36 H LEU 36 0.645 5.562 -3.497 226 HA LEU 36 HA LEU 36 -0.229 8.122 -2.400 227 HB2 LEU 36 HB2 LEU 36 2.537 7.193 -3.168 228 HB3 LEU 36 HB3 LEU 36 2.133 8.858 -2.793 229 HG LEU 36 HG LEU 36 1.819 6.557 -0.863 230 HD11 LEU 36 HD11 LEU 36 3.728 7.497 0.293 231 HD12 LEU 36 HD12 LEU 36 3.942 8.696 -0.988 232 HD13 LEU 36 HD13 LEU 36 4.177 6.978 -1.332 233 HD21 LEU 36 HD21 LEU 36 0.267 8.365 -0.442 234 HD22 LEU 36 HD22 LEU 36 1.581 9.537 -0.515 235 HD23 LEU 36 HD23 LEU 36 1.532 8.349 0.785 236 H1 MAN 101 H1 MAN 101 -8.966 5.961 2.460 237 H2 MAN 101 H2 MAN 101 -6.832 5.314 3.656 238 H3 MAN 101 H3 MAN 101 -6.996 2.887 3.439 239 H4 MAN 101 H4 MAN 101 -9.432 3.171 5.240 240 H5 MAN 101 H5 MAN 101 -9.088 2.214 2.376 241 H61 MAN 101 H61 MAN 101 -10.927 1.147 3.765 242 H62 MAN 101 H62 MAN 101 -11.449 1.906 2.244 243 HO2 MAN 101 HO2 MAN 101 -9.310 5.123 5.069 244 HO3 MAN 101 HO3 MAN 101 -7.343 3.849 6.093 245 HO4 MAN 101 HO4 MAN 101 -8.058 1.395 5.604 246 HO6 MAN 101 HO6 MAN 101 -11.779 3.841 3.618 Start of MODEL 6 1 H1 THR 1 H1 THR 1 -11.779 0.566 -4.679 2 H2 THR 1 H2 THR 1 -11.605 -0.988 -4.058 3 H3 THR 1 H3 THR 1 -11.647 -0.753 -5.743 4 HA THR 1 HA THR 1 -9.418 -1.114 -5.019 5 HB THR 1 HB THR 1 -8.503 1.240 -5.579 6 HG1 THR 1 HG1 THR 1 -10.690 2.102 -6.771 7 HG21 THR 1 HG21 THR 1 -10.374 -0.115 -7.531 8 HG22 THR 1 HG22 THR 1 -8.691 -0.561 -7.239 9 HG23 THR 1 HG23 THR 1 -9.077 1.009 -7.941 10 H GLN 2 H GLN 2 -7.567 0.040 -3.875 11 HA GLN 2 HA GLN 2 -8.340 0.663 -1.173 12 HB2 GLN 2 HB2 GLN 2 -6.370 -0.806 -1.632 13 HB3 GLN 2 HB3 GLN 2 -5.607 0.519 -2.486 14 HG2 GLN 2 HG2 GLN 2 -4.761 0.222 -0.205 15 HG3 GLN 2 HG3 GLN 2 -5.453 1.817 -0.505 16 HE21 GLN 2 HE21 GLN 2 -6.013 2.299 1.403 17 HE22 GLN 2 HE22 GLN 2 -7.185 1.530 2.431 18 H SER 3 H SER 3 -7.907 2.652 -0.159 19 HA SER 3 HA SER 3 -8.423 4.853 -1.886 20 HB2 SER 3 HB2 SER 3 -8.748 6.069 0.151 21 HB3 SER 3 HB3 SER 3 -9.559 4.514 0.298 22 H HIS 4 H HIS 4 -7.326 6.918 -1.291 23 HA HIS 4 HA HIS 4 -4.526 6.677 -1.958 24 HB2 HIS 4 HB2 HIS 4 -6.155 8.475 -2.823 25 HB3 HIS 4 HB3 HIS 4 -6.026 9.224 -1.248 26 HD1 HIS 4 HD1 HIS 4 -5.118 11.237 -2.928 27 HD2 HIS 4 HD2 HIS 4 -2.600 8.009 -2.322 28 HE1 HIS 4 HE1 HIS 4 -2.871 11.946 -3.813 29 HE2 HIS 4 HE2 HIS 4 -1.612 9.780 -3.853 30 H TYR 5 H TYR 5 -2.825 6.963 -0.500 31 HA TYR 5 HA TYR 5 -1.689 7.167 1.365 32 HB2 TYR 5 HB2 TYR 5 -4.083 8.699 2.307 33 HB3 TYR 5 HB3 TYR 5 -2.699 8.424 3.371 34 HD1 TYR 5 HD1 TYR 5 -4.086 10.424 0.719 35 HD2 TYR 5 HD2 TYR 5 -0.462 9.332 2.642 36 HE1 TYR 5 HE1 TYR 5 -2.983 12.394 -0.246 37 HE2 TYR 5 HE2 TYR 5 0.647 11.297 1.692 38 HH TYR 5 HH TYR 5 -0.985 13.841 0.436 39 H GLY 6 H GLY 6 -3.955 5.142 0.888 40 HA2 GLY 6 HA2 GLY 6 -4.092 4.037 3.583 41 HA3 GLY 6 HA3 GLY 6 -4.967 3.490 2.162 42 H GLN 7 H GLN 7 -3.696 1.657 3.751 43 HA GLN 7 HA GLN 7 -1.077 1.051 2.750 44 HB2 GLN 7 HB2 GLN 7 -2.018 0.463 5.037 45 HB3 GLN 7 HB3 GLN 7 -2.971 -0.768 4.229 46 HG2 GLN 7 HG2 GLN 7 -0.963 -1.861 3.466 47 HG3 GLN 7 HG3 GLN 7 0.051 -0.647 4.231 48 HE21 GLN 7 HE21 GLN 7 0.233 -3.353 4.817 49 HE22 GLN 7 HE22 GLN 7 -0.318 -3.617 6.425 50 H CYS 8 H CYS 8 -0.643 -0.178 0.995 51 HA CYS 8 HA CYS 8 -2.991 -1.313 -0.396 52 HB2 CYS 8 HB2 CYS 8 -1.704 -0.893 -2.443 53 HB3 CYS 8 HB3 CYS 8 -2.206 0.539 -1.549 54 H GLY 9 H GLY 9 -0.518 -2.556 1.292 55 HA2 GLY 9 HA2 GLY 9 -0.699 -5.105 0.619 56 HA3 GLY 9 HA3 GLY 9 0.076 -4.507 -0.828 57 H GLY 10 H GLY 10 0.406 -4.642 2.617 58 HA2 GLY 10 HA2 GLY 10 3.297 -4.809 2.240 59 HA3 GLY 10 HA3 GLY 10 2.486 -4.510 3.781 60 H ILE 11 H ILE 11 4.313 -6.522 3.673 61 HA ILE 11 HA ILE 11 3.268 -9.044 3.082 62 HB ILE 11 HB ILE 11 5.226 -8.269 5.270 63 HG12 ILE 11 HG12 ILE 11 5.723 -9.316 2.471 64 HG13 ILE 11 HG13 ILE 11 5.947 -7.652 2.987 65 HG21 ILE 11 HG21 ILE 11 4.631 -10.986 4.099 66 HG22 ILE 11 HG22 ILE 11 4.278 -10.448 5.741 67 HG23 ILE 11 HG23 ILE 11 5.951 -10.620 5.210 68 HD11 ILE 11 HD11 ILE 11 7.702 -8.364 4.521 69 HD12 ILE 11 HD12 ILE 11 8.064 -8.858 2.864 70 HD13 ILE 11 HD13 ILE 11 7.448 -10.036 4.029 71 H GLY 12 H GLY 12 1.442 -9.873 3.830 72 HA2 GLY 12 HA2 GLY 12 0.305 -10.904 5.647 73 HA3 GLY 12 HA3 GLY 12 0.821 -9.582 6.685 74 H TYR 13 H TYR 13 0.106 -7.802 4.230 75 HA TYR 13 HA TYR 13 -2.469 -7.127 5.266 76 HB2 TYR 13 HB2 TYR 13 -0.889 -5.384 4.514 77 HB3 TYR 13 HB3 TYR 13 -1.020 -5.989 2.871 78 HD1 TYR 13 HD1 TYR 13 -3.270 -4.811 5.623 79 HD2 TYR 13 HD2 TYR 13 -2.447 -4.826 1.456 80 HE1 TYR 13 HE1 TYR 13 -5.144 -3.253 5.244 81 HE2 TYR 13 HE2 TYR 13 -4.306 -3.283 1.074 82 HH TYR 13 HH TYR 13 -6.091 -2.327 1.973 83 H SER 14 H SER 14 -4.256 -8.071 4.735 84 HA SER 14 HA SER 14 -4.377 -9.526 2.193 85 HB2 SER 14 HB2 SER 14 -5.927 -10.002 4.747 86 HB3 SER 14 HB3 SER 14 -5.834 -11.064 3.336 87 HG SER 14 HG SER 14 -3.603 -10.282 4.911 88 H GLY 15 H GLY 15 -5.042 -6.681 2.921 89 HA2 GLY 15 HA2 GLY 15 -7.929 -6.547 2.417 90 HA3 GLY 15 HA3 GLY 15 -6.874 -5.210 2.855 91 HA PRO 16 HA PRO 16 -7.693 -4.917 -1.681 92 HB2 PRO 16 HB2 PRO 16 -7.775 -2.041 -0.980 93 HB3 PRO 16 HB3 PRO 16 -8.915 -2.988 -1.941 94 HG2 PRO 16 HG2 PRO 16 -9.511 -2.156 0.525 95 HG3 PRO 16 HG3 PRO 16 -10.056 -3.733 -0.078 96 HD2 PRO 16 HD2 PRO 16 -7.784 -3.099 1.779 97 HD3 PRO 16 HD3 PRO 16 -8.953 -4.423 1.848 98 H THR 17 H THR 17 -5.819 -5.149 -2.714 99 HA THR 17 HA THR 17 -3.503 -3.553 -1.918 100 HB THR 17 HB THR 17 -2.286 -5.278 -3.259 101 HG1 THR 17 HG1 THR 17 -3.370 -7.127 -3.827 102 HG21 THR 17 HG21 THR 17 -2.412 -5.402 -0.824 103 HG22 THR 17 HG22 THR 17 -2.454 -7.024 -1.520 104 HG23 THR 17 HG23 THR 17 -3.940 -6.274 -0.930 105 H VAL 18 H VAL 18 -5.889 -3.470 -4.155 106 HA VAL 18 HA VAL 18 -4.142 -2.364 -6.238 107 HB VAL 18 HB VAL 18 -7.100 -3.066 -6.393 108 HG11 VAL 18 HG11 VAL 18 -6.504 -1.246 -7.913 109 HG12 VAL 18 HG12 VAL 18 -6.870 -2.722 -8.807 110 HG13 VAL 18 HG13 VAL 18 -5.195 -2.222 -8.577 111 HG21 VAL 18 HG21 VAL 18 -5.716 -5.061 -6.209 112 HG22 VAL 18 HG22 VAL 18 -4.702 -4.498 -7.537 113 HG23 VAL 18 HG23 VAL 18 -6.385 -4.928 -7.835 114 H CYS 19 H CYS 19 -3.793 -0.256 -5.936 115 HA CYS 19 HA CYS 19 -5.460 1.409 -4.377 116 HB2 CYS 19 HB2 CYS 19 -3.212 2.069 -6.273 117 HB3 CYS 19 HB3 CYS 19 -3.919 3.152 -5.085 118 H ALA 20 H ALA 20 -6.697 3.150 -5.051 119 HA ALA 20 HA ALA 20 -8.203 3.012 -7.374 120 HB1 ALA 20 HB1 ALA 20 -7.465 5.451 -5.730 121 HB2 ALA 20 HB2 ALA 20 -8.827 4.379 -5.431 122 HB3 ALA 20 HB3 ALA 20 -8.792 5.366 -6.891 123 H SER 21 H SER 21 -7.629 3.355 -9.431 124 HA SER 21 HA SER 21 -5.039 3.875 -10.193 125 HB2 SER 21 HB2 SER 21 -7.519 4.336 -11.858 126 HB3 SER 21 HB3 SER 21 -5.878 4.047 -12.436 127 HG SER 21 HG SER 21 -6.023 2.037 -11.141 128 H GLY 22 H GLY 22 -3.896 5.595 -10.707 129 HA2 GLY 22 HA2 GLY 22 -3.668 7.958 -11.117 130 HA3 GLY 22 HA3 GLY 22 -5.098 8.206 -10.115 131 H THR 23 H THR 23 -3.843 5.853 -8.423 132 HA THR 23 HA THR 23 -1.729 7.419 -7.167 133 HB THR 23 HB THR 23 -2.358 6.427 -4.987 134 HG1 THR 23 HG1 THR 23 -4.482 5.216 -6.454 135 HG21 THR 23 HG21 THR 23 -4.736 7.660 -6.377 136 HG22 THR 23 HG22 THR 23 -3.424 8.542 -5.599 137 HG23 THR 23 HG23 THR 23 -4.513 7.545 -4.631 138 H THR 24 H THR 24 0.051 6.143 -6.390 139 HA THR 24 HA THR 24 0.141 3.500 -7.658 140 HB THR 24 HB THR 24 2.666 3.861 -7.638 141 HG1 THR 24 HG1 THR 24 1.802 6.345 -6.638 142 HG21 THR 24 HG21 THR 24 1.339 4.043 -9.696 143 HG22 THR 24 HG22 THR 24 2.641 5.230 -9.684 144 HG23 THR 24 HG23 THR 24 0.987 5.730 -9.322 145 H CYS 25 H CYS 25 0.786 1.759 -6.451 146 HA CYS 25 HA CYS 25 0.770 2.121 -3.605 147 HB2 CYS 25 HB2 CYS 25 -0.408 0.208 -4.519 148 HB3 CYS 25 HB3 CYS 25 1.065 -0.383 -5.303 149 H GLN 26 H GLN 26 2.544 2.930 -2.781 150 HA GLN 26 HA GLN 26 5.083 1.991 -3.818 151 HB2 GLN 26 HB2 GLN 26 4.289 4.503 -2.415 152 HB3 GLN 26 HB3 GLN 26 5.979 4.022 -2.512 153 HG2 GLN 26 HG2 GLN 26 5.838 3.995 -4.953 154 HG3 GLN 26 HG3 GLN 26 4.114 4.359 -4.821 155 HE21 GLN 26 HE21 GLN 26 3.500 6.398 -4.636 156 HE22 GLN 26 HE22 GLN 26 4.542 7.771 -4.557 157 H VAL 27 H VAL 27 6.068 0.555 -2.807 158 HA VAL 27 HA VAL 27 5.443 -0.209 -0.127 159 HB VAL 27 HB VAL 27 7.727 -1.102 -1.918 160 HG11 VAL 27 HG11 VAL 27 7.870 -3.072 -0.440 161 HG12 VAL 27 HG12 VAL 27 6.642 -2.361 0.606 162 HG13 VAL 27 HG13 VAL 27 8.207 -1.574 0.425 163 HG21 VAL 27 HG21 VAL 27 5.565 -1.603 -2.912 164 HG22 VAL 27 HG22 VAL 27 5.035 -2.375 -1.417 165 HG23 VAL 27 HG23 VAL 27 6.342 -3.087 -2.362 166 H LEU 28 H LEU 28 6.033 1.009 1.450 167 HA LEU 28 HA LEU 28 8.420 2.678 1.306 168 HB2 LEU 28 HB2 LEU 28 6.184 2.547 3.332 169 HB3 LEU 28 HB3 LEU 28 7.473 3.739 3.325 170 HG LEU 28 HG LEU 28 5.423 3.429 1.118 171 HD11 LEU 28 HD11 LEU 28 5.606 5.489 3.307 172 HD12 LEU 28 HD12 LEU 28 4.369 4.232 3.150 173 HD13 LEU 28 HD13 LEU 28 4.489 5.510 1.940 174 HD21 LEU 28 HD21 LEU 28 6.286 5.583 0.380 175 HD22 LEU 28 HD22 LEU 28 7.525 4.315 0.364 176 HD23 LEU 28 HD23 LEU 28 7.490 5.509 1.674 177 H ASN 29 H ASN 29 6.980 0.097 3.166 178 HA ASN 29 HA ASN 29 9.583 -0.623 4.239 179 HB2 ASN 29 HB2 ASN 29 7.024 -0.440 5.889 180 HB3 ASN 29 HB3 ASN 29 8.547 -1.100 6.445 181 HD21 ASN 29 HD21 ASN 29 6.742 1.771 5.835 182 HD22 ASN 29 HD22 ASN 29 7.848 2.878 6.553 183 HA PRO 30 HA PRO 30 8.304 -4.685 2.978 184 HB2 PRO 30 HB2 PRO 30 8.416 -5.659 5.788 185 HB3 PRO 30 HB3 PRO 30 9.172 -6.332 4.337 186 HG2 PRO 30 HG2 PRO 30 10.647 -5.005 6.071 187 HG3 PRO 30 HG3 PRO 30 10.874 -4.748 4.331 188 HD2 PRO 30 HD2 PRO 30 9.465 -3.022 6.330 189 HD3 PRO 30 HD3 PRO 30 10.523 -2.543 4.986 190 H TYR 31 H TYR 31 6.685 -3.644 5.984 191 HA TYR 31 HA TYR 31 4.356 -5.211 5.119 192 HB2 TYR 31 HB2 TYR 31 4.748 -3.861 7.799 193 HB3 TYR 31 HB3 TYR 31 3.569 -5.087 7.373 194 HD1 TYR 31 HD1 TYR 31 4.313 -7.434 7.005 195 HD2 TYR 31 HD2 TYR 31 6.970 -4.460 8.467 196 HE1 TYR 31 HE1 TYR 31 5.867 -9.186 7.755 197 HE2 TYR 31 HE2 TYR 31 8.521 -6.197 9.218 198 HH TYR 31 HH TYR 31 8.376 -8.594 9.871 199 H TYR 32 H TYR 32 5.509 -1.988 5.658 200 HA TYR 32 HA TYR 32 2.834 -0.934 5.284 201 HB2 TYR 32 HB2 TYR 32 4.260 0.004 7.069 202 HB3 TYR 32 HB3 TYR 32 5.370 0.580 5.830 203 HD1 TYR 32 HD1 TYR 32 5.237 2.854 5.435 204 HD2 TYR 32 HD2 TYR 32 1.684 0.676 6.363 205 HE1 TYR 32 HE1 TYR 32 3.957 4.891 5.285 206 HE2 TYR 32 HE2 TYR 32 0.382 2.740 6.200 207 HH TYR 32 HH TYR 32 0.673 5.087 6.324 208 H SER 33 H SER 33 2.123 -0.616 3.328 209 HA SER 33 HA SER 33 3.888 0.599 1.317 210 HB2 SER 33 HB2 SER 33 1.728 -1.480 0.767 211 HB3 SER 33 HB3 SER 33 2.830 -0.773 -0.411 212 HG SER 33 HG SER 33 3.307 -2.946 0.471 213 H GLN 34 H GLN 34 2.770 2.306 0.164 214 HA GLN 34 HA GLN 34 0.044 2.758 1.104 215 HB2 GLN 34 HB2 GLN 34 1.318 4.056 2.626 216 HB3 GLN 34 HB3 GLN 34 2.357 4.671 1.356 217 HG2 GLN 34 HG2 GLN 34 0.581 6.052 0.503 218 HG3 GLN 34 HG3 GLN 34 -0.568 5.308 1.607 219 HE21 GLN 34 HE21 GLN 34 -0.702 6.025 3.645 220 HE22 GLN 34 HE22 GLN 34 0.189 7.332 4.298 221 H CYS 35 H CYS 35 -1.324 3.570 -0.307 222 HA CYS 35 HA CYS 35 -0.599 3.837 -3.069 223 HB2 CYS 35 HB2 CYS 35 -3.171 4.634 -1.689 224 HB3 CYS 35 HB3 CYS 35 -2.941 4.464 -3.421 225 H LEU 36 H LEU 36 0.529 5.552 -3.672 226 HA LEU 36 HA LEU 36 -0.308 8.182 -2.710 227 HB2 LEU 36 HB2 LEU 36 2.453 7.203 -3.410 228 HB3 LEU 36 HB3 LEU 36 2.059 8.894 -3.171 229 HG LEU 36 HG LEU 36 1.758 6.757 -1.061 230 HD11 LEU 36 HD11 LEU 36 3.901 8.856 -1.388 231 HD12 LEU 36 HD12 LEU 36 4.112 7.116 -1.612 232 HD13 LEU 36 HD13 LEU 36 3.709 7.756 -0.020 233 HD21 LEU 36 HD21 LEU 36 1.510 8.678 0.439 234 HD22 LEU 36 HD22 LEU 36 0.234 8.608 -0.768 235 HD23 LEU 36 HD23 LEU 36 1.559 9.761 -0.950 236 H1 MAN 101 H1 MAN 101 -8.739 6.336 2.298 237 H2 MAN 101 H2 MAN 101 -6.496 5.862 3.312 238 H3 MAN 101 H3 MAN 101 -6.619 3.421 3.350 239 H4 MAN 101 H4 MAN 101 -8.778 3.894 5.407 240 H5 MAN 101 H5 MAN 101 -8.832 2.651 2.608 241 H61 MAN 101 H61 MAN 101 -10.447 1.585 4.181 242 H62 MAN 101 H62 MAN 101 -11.229 2.437 2.834 243 HO2 MAN 101 HO2 MAN 101 -7.237 6.075 5.436 244 HO3 MAN 101 HO3 MAN 101 -6.128 3.142 5.529 245 HO4 MAN 101 HO4 MAN 101 -8.767 1.613 5.462 246 HO6 MAN 101 HO6 MAN 101 -11.150 4.309 4.517 Start of MODEL 7 1 H1 THR 1 H1 THR 1 -11.760 -0.525 -5.956 2 H2 THR 1 H2 THR 1 -11.834 0.906 -5.065 3 H3 THR 1 H3 THR 1 -11.813 -0.580 -4.251 4 HA THR 1 HA THR 1 -9.568 -0.917 -5.167 5 HB THR 1 HB THR 1 -8.576 1.370 -5.871 6 HG1 THR 1 HG1 THR 1 -10.356 2.478 -7.139 7 HG21 THR 1 HG21 THR 1 -10.414 -0.105 -7.764 8 HG22 THR 1 HG22 THR 1 -8.767 -0.596 -7.349 9 HG23 THR 1 HG23 THR 1 -9.043 0.921 -8.205 10 H GLN 2 H GLN 2 -7.700 0.042 -4.025 11 HA GLN 2 HA GLN 2 -8.398 0.751 -1.355 12 HB2 GLN 2 HB2 GLN 2 -6.539 -0.786 -1.813 13 HB3 GLN 2 HB3 GLN 2 -5.724 0.443 -2.754 14 HG2 GLN 2 HG2 GLN 2 -4.763 0.207 -0.505 15 HG3 GLN 2 HG3 GLN 2 -5.426 1.802 -0.830 16 HE21 GLN 2 HE21 GLN 2 -5.800 2.316 1.012 17 HE22 GLN 2 HE22 GLN 2 -6.905 1.667 2.205 18 H SER 3 H SER 3 -7.997 2.722 -0.281 19 HA SER 3 HA SER 3 -8.319 4.990 -1.953 20 HB2 SER 3 HB2 SER 3 -8.621 6.194 0.118 21 HB3 SER 3 HB3 SER 3 -9.595 4.731 0.128 22 H HIS 4 H HIS 4 -7.132 6.926 -1.666 23 HA HIS 4 HA HIS 4 -4.306 6.675 -1.936 24 HB2 HIS 4 HB2 HIS 4 -5.820 8.471 -2.961 25 HB3 HIS 4 HB3 HIS 4 -5.906 9.197 -1.375 26 HD1 HIS 4 HD1 HIS 4 -4.834 11.347 -2.637 27 HD2 HIS 4 HD2 HIS 4 -2.374 8.024 -2.376 28 HE1 HIS 4 HE1 HIS 4 -2.551 12.158 -3.228 29 HE2 HIS 4 HE2 HIS 4 -1.298 9.994 -3.561 30 H TYR 5 H TYR 5 -2.748 6.859 -0.392 31 HA TYR 5 HA TYR 5 -1.725 7.072 1.534 32 HB2 TYR 5 HB2 TYR 5 -4.160 8.604 2.331 33 HB3 TYR 5 HB3 TYR 5 -2.902 8.252 3.521 34 HD1 TYR 5 HD1 TYR 5 -3.888 10.256 0.664 35 HD2 TYR 5 HD2 TYR 5 -0.656 9.236 3.218 36 HE1 TYR 5 HE1 TYR 5 -2.671 12.242 -0.099 37 HE2 TYR 5 HE2 TYR 5 0.575 11.208 2.468 38 HH TYR 5 HH TYR 5 0.606 12.737 0.492 39 H GLY 6 H GLY 6 -4.065 5.101 0.903 40 HA2 GLY 6 HA2 GLY 6 -4.188 3.904 3.556 41 HA3 GLY 6 HA3 GLY 6 -5.124 3.414 2.182 42 H GLN 7 H GLN 7 -3.750 1.594 3.735 43 HA GLN 7 HA GLN 7 -1.169 1.013 2.672 44 HB2 GLN 7 HB2 GLN 7 -2.022 0.442 4.976 45 HB3 GLN 7 HB3 GLN 7 -3.004 -0.815 4.235 46 HG2 GLN 7 HG2 GLN 7 -0.997 -1.963 3.492 47 HG3 GLN 7 HG3 GLN 7 0.016 -0.673 4.148 48 HE21 GLN 7 HE21 GLN 7 0.200 -3.412 4.928 49 HE22 GLN 7 HE22 GLN 7 -0.302 -3.501 6.568 50 H CYS 8 H CYS 8 -0.684 -0.174 0.914 51 HA CYS 8 HA CYS 8 -2.951 -1.375 -0.542 52 HB2 CYS 8 HB2 CYS 8 -1.631 -0.995 -2.563 53 HB3 CYS 8 HB3 CYS 8 -2.030 0.488 -1.704 54 H GLY 9 H GLY 9 -0.873 -2.649 1.378 55 HA2 GLY 9 HA2 GLY 9 -0.902 -5.160 1.082 56 HA3 GLY 9 HA3 GLY 9 -0.366 -4.832 -0.553 57 H GLY 10 H GLY 10 0.507 -4.501 2.784 58 HA2 GLY 10 HA2 GLY 10 3.307 -4.867 2.035 59 HA3 GLY 10 HA3 GLY 10 2.725 -4.373 3.635 60 H ILE 11 H ILE 11 4.385 -6.497 3.617 61 HA ILE 11 HA ILE 11 3.211 -9.023 3.307 62 HB ILE 11 HB ILE 11 5.225 -8.190 5.425 63 HG12 ILE 11 HG12 ILE 11 5.742 -9.333 2.676 64 HG13 ILE 11 HG13 ILE 11 5.917 -7.632 3.093 65 HG21 ILE 11 HG21 ILE 11 5.924 -10.554 5.389 66 HG22 ILE 11 HG22 ILE 11 4.607 -10.916 4.273 67 HG23 ILE 11 HG23 ILE 11 4.251 -10.360 5.910 68 HD11 ILE 11 HD11 ILE 11 8.064 -8.784 3.079 69 HD12 ILE 11 HD12 ILE 11 7.452 -9.910 4.298 70 HD13 ILE 11 HD13 ILE 11 7.650 -8.205 4.697 71 H GLY 12 H GLY 12 1.332 -9.670 4.216 72 HA2 GLY 12 HA2 GLY 12 0.297 -10.485 6.223 73 HA3 GLY 12 HA3 GLY 12 0.916 -9.081 7.067 74 H TYR 13 H TYR 13 -0.045 -7.750 4.315 75 HA TYR 13 HA TYR 13 -2.673 -7.082 5.434 76 HB2 TYR 13 HB2 TYR 13 -1.138 -5.214 4.856 77 HB3 TYR 13 HB3 TYR 13 -1.113 -5.762 3.194 78 HD1 TYR 13 HD1 TYR 13 -3.361 -4.372 5.831 79 HD2 TYR 13 HD2 TYR 13 -2.743 -4.959 1.663 80 HE1 TYR 13 HE1 TYR 13 -5.228 -2.833 5.325 81 HE2 TYR 13 HE2 TYR 13 -4.598 -3.445 1.169 82 HH TYR 13 HH TYR 13 -6.239 -2.272 1.972 83 H SER 14 H SER 14 -4.276 -8.297 4.739 84 HA SER 14 HA SER 14 -4.068 -9.662 2.161 85 HB2 SER 14 HB2 SER 14 -6.032 -10.091 4.408 86 HB3 SER 14 HB3 SER 14 -5.699 -11.178 3.058 87 HG SER 14 HG SER 14 -3.453 -11.096 3.915 88 H GLY 15 H GLY 15 -5.274 -6.857 3.267 89 HA2 GLY 15 HA2 GLY 15 -7.934 -6.861 2.167 90 HA3 GLY 15 HA3 GLY 15 -7.046 -5.481 2.768 91 HA PRO 16 HA PRO 16 -7.545 -4.877 -1.799 92 HB2 PRO 16 HB2 PRO 16 -7.628 -2.090 -0.790 93 HB3 PRO 16 HB3 PRO 16 -8.704 -2.893 -1.945 94 HG2 PRO 16 HG2 PRO 16 -9.512 -2.362 0.526 95 HG3 PRO 16 HG3 PRO 16 -9.945 -3.888 -0.269 96 HD2 PRO 16 HD2 PRO 16 -7.840 -3.376 1.802 97 HD3 PRO 16 HD3 PRO 16 -8.987 -4.720 1.661 98 H THR 17 H THR 17 -5.603 -5.105 -2.699 99 HA THR 17 HA THR 17 -3.366 -3.446 -1.840 100 HB THR 17 HB THR 17 -2.044 -5.089 -3.191 101 HG1 THR 17 HG1 THR 17 -3.365 -6.012 -4.619 102 HG21 THR 17 HG21 THR 17 -2.395 -5.398 -0.765 103 HG22 THR 17 HG22 THR 17 -2.277 -6.942 -1.605 104 HG23 THR 17 HG23 THR 17 -3.853 -6.327 -1.105 105 H VAL 18 H VAL 18 -5.716 -3.655 -4.200 106 HA VAL 18 HA VAL 18 -4.139 -2.425 -6.303 107 HB VAL 18 HB VAL 18 -7.087 -3.172 -6.240 108 HG11 VAL 18 HG11 VAL 18 -6.662 -1.305 -7.777 109 HG12 VAL 18 HG12 VAL 18 -7.063 -2.780 -8.660 110 HG13 VAL 18 HG13 VAL 18 -5.388 -2.243 -8.559 111 HG21 VAL 18 HG21 VAL 18 -6.450 -4.999 -7.715 112 HG22 VAL 18 HG22 VAL 18 -5.548 -5.098 -6.198 113 HG23 VAL 18 HG23 VAL 18 -4.767 -4.487 -7.651 114 H CYS 19 H CYS 19 -3.776 -0.346 -6.116 115 HA CYS 19 HA CYS 19 -5.295 1.386 -4.466 116 HB2 CYS 19 HB2 CYS 19 -3.145 1.916 -6.506 117 HB3 CYS 19 HB3 CYS 19 -3.783 3.095 -5.370 118 H ALA 20 H ALA 20 -6.469 3.212 -5.128 119 HA ALA 20 HA ALA 20 -8.108 2.920 -7.377 120 HB1 ALA 20 HB1 ALA 20 -8.767 4.244 -5.445 121 HB2 ALA 20 HB2 ALA 20 -8.811 5.226 -6.909 122 HB3 ALA 20 HB3 ALA 20 -7.474 5.403 -5.765 123 H SER 21 H SER 21 -7.964 3.768 -9.398 124 HA SER 21 HA SER 21 -5.534 4.074 -10.610 125 HB2 SER 21 HB2 SER 21 -8.141 5.302 -11.468 126 HB3 SER 21 HB3 SER 21 -6.799 4.805 -12.509 127 HG SER 21 HG SER 21 -8.583 3.294 -12.316 128 H GLY 22 H GLY 22 -4.086 5.669 -10.683 129 HA2 GLY 22 HA2 GLY 22 -3.576 8.011 -10.983 130 HA3 GLY 22 HA3 GLY 22 -4.953 8.381 -9.949 131 H THR 23 H THR 23 -3.924 5.893 -8.342 132 HA THR 23 HA THR 23 -1.798 7.363 -6.972 133 HB THR 23 HB THR 23 -2.474 6.261 -4.863 134 HG1 THR 23 HG1 THR 23 -4.456 5.060 -6.517 135 HG21 THR 23 HG21 THR 23 -3.463 8.414 -5.324 136 HG22 THR 23 HG22 THR 23 -4.642 7.378 -4.521 137 HG23 THR 23 HG23 THR 23 -4.742 7.648 -6.264 138 H THR 24 H THR 24 -0.021 6.126 -6.213 139 HA THR 24 HA THR 24 0.156 3.578 -7.626 140 HB THR 24 HB THR 24 2.673 4.006 -7.572 141 HG1 THR 24 HG1 THR 24 1.734 6.425 -6.480 142 HG21 THR 24 HG21 THR 24 0.930 5.891 -9.167 143 HG22 THR 24 HG22 THR 24 1.340 4.235 -9.613 144 HG23 THR 24 HG23 THR 24 2.599 5.470 -9.555 145 H CYS 25 H CYS 25 0.881 1.800 -6.561 146 HA CYS 25 HA CYS 25 0.766 1.959 -3.685 147 HB2 CYS 25 HB2 CYS 25 -0.370 0.099 -4.738 148 HB3 CYS 25 HB3 CYS 25 1.108 -0.439 -5.522 149 H GLN 26 H GLN 26 2.485 2.795 -2.819 150 HA GLN 26 HA GLN 26 5.085 1.966 -3.810 151 HB2 GLN 26 HB2 GLN 26 4.248 4.314 -2.111 152 HB3 GLN 26 HB3 GLN 26 5.907 3.977 -2.590 153 HG2 GLN 26 HG2 GLN 26 5.260 4.190 -4.949 154 HG3 GLN 26 HG3 GLN 26 3.604 4.508 -4.461 155 HE21 GLN 26 HE21 GLN 26 3.576 6.455 -5.470 156 HE22 GLN 26 HE22 GLN 26 4.397 7.847 -4.872 157 H VAL 27 H VAL 27 5.995 0.421 -2.756 158 HA VAL 27 HA VAL 27 5.188 -0.291 -0.097 159 HB VAL 27 HB VAL 27 7.466 -1.443 -1.751 160 HG11 VAL 27 HG11 VAL 27 5.953 -2.625 0.570 161 HG12 VAL 27 HG12 VAL 27 7.571 -1.940 0.642 162 HG13 VAL 27 HG13 VAL 27 7.272 -3.393 -0.319 163 HG21 VAL 27 HG21 VAL 27 5.906 -3.237 -2.387 164 HG22 VAL 27 HG22 VAL 27 5.371 -1.665 -2.979 165 HG23 VAL 27 HG23 VAL 27 4.601 -2.383 -1.565 166 H LEU 28 H LEU 28 5.764 1.245 1.225 167 HA LEU 28 HA LEU 28 8.221 2.702 1.079 168 HB2 LEU 28 HB2 LEU 28 6.059 2.666 3.181 169 HB3 LEU 28 HB3 LEU 28 7.358 3.837 3.101 170 HG LEU 28 HG LEU 28 5.247 3.497 0.957 171 HD11 LEU 28 HD11 LEU 28 5.487 5.603 3.097 172 HD12 LEU 28 HD12 LEU 28 4.267 4.330 3.033 173 HD13 LEU 28 HD13 LEU 28 4.313 5.575 1.782 174 HD21 LEU 28 HD21 LEU 28 7.323 5.588 1.440 175 HD22 LEU 28 HD22 LEU 28 6.085 5.652 0.181 176 HD23 LEU 28 HD23 LEU 28 7.341 4.401 0.130 177 H ASN 29 H ASN 29 6.911 0.118 3.046 178 HA ASN 29 HA ASN 29 9.579 -0.482 4.065 179 HB2 ASN 29 HB2 ASN 29 7.092 -0.617 5.867 180 HB3 ASN 29 HB3 ASN 29 8.719 -1.040 6.295 181 HD21 ASN 29 HD21 ASN 29 7.568 1.940 4.759 182 HD22 ASN 29 HD22 ASN 29 8.059 3.017 6.008 183 HA PRO 30 HA PRO 30 8.379 -4.590 2.776 184 HB2 PRO 30 HB2 PRO 30 8.717 -5.558 5.578 185 HB3 PRO 30 HB3 PRO 30 9.391 -6.212 4.079 186 HG2 PRO 30 HG2 PRO 30 10.944 -4.820 5.694 187 HG3 PRO 30 HG3 PRO 30 11.029 -4.550 3.942 188 HD2 PRO 30 HD2 PRO 30 9.703 -2.895 6.052 189 HD3 PRO 30 HD3 PRO 30 10.635 -2.376 4.632 190 H TYR 31 H TYR 31 6.985 -3.625 5.880 191 HA TYR 31 HA TYR 31 4.599 -5.218 5.246 192 HB2 TYR 31 HB2 TYR 31 5.262 -3.739 7.805 193 HB3 TYR 31 HB3 TYR 31 3.926 -4.859 7.562 194 HD1 TYR 31 HD1 TYR 31 4.437 -7.281 7.169 195 HD2 TYR 31 HD2 TYR 31 7.415 -4.525 8.379 196 HE1 TYR 31 HE1 TYR 31 5.874 -9.147 7.851 197 HE2 TYR 31 HE2 TYR 31 8.872 -6.369 9.068 198 HH TYR 31 HH TYR 31 8.413 -8.848 9.839 199 H TYR 32 H TYR 32 5.745 -1.970 5.414 200 HA TYR 32 HA TYR 32 3.023 -0.965 5.323 201 HB2 TYR 32 HB2 TYR 32 4.590 0.075 6.936 202 HB3 TYR 32 HB3 TYR 32 5.558 0.629 5.574 203 HD1 TYR 32 HD1 TYR 32 1.915 0.579 6.264 204 HD2 TYR 32 HD2 TYR 32 5.335 2.921 5.305 205 HE1 TYR 32 HE1 TYR 32 0.511 2.560 6.170 206 HE2 TYR 32 HE2 TYR 32 3.966 4.909 5.208 207 HH TYR 32 HH TYR 32 1.606 5.541 4.918 208 H SER 33 H SER 33 2.149 -0.771 3.404 209 HA SER 33 HA SER 33 3.752 0.404 1.250 210 HB2 SER 33 HB2 SER 33 1.588 -1.702 0.921 211 HB3 SER 33 HB3 SER 33 2.624 -1.049 -0.347 212 HG SER 33 HG SER 33 3.293 -3.130 0.477 213 H GLN 34 H GLN 34 2.644 2.102 0.230 214 HA GLN 34 HA GLN 34 -0.107 2.528 1.107 215 HB2 GLN 34 HB2 GLN 34 1.083 3.768 2.730 216 HB3 GLN 34 HB3 GLN 34 2.222 4.381 1.547 217 HG2 GLN 34 HG2 GLN 34 0.517 5.823 0.613 218 HG3 GLN 34 HG3 GLN 34 -0.684 5.130 1.694 219 HE21 GLN 34 HE21 GLN 34 -0.855 5.884 3.757 220 HE22 GLN 34 HE22 GLN 34 0.107 7.160 4.377 221 H CYS 35 H CYS 35 -1.408 3.421 -0.362 222 HA CYS 35 HA CYS 35 -0.483 3.787 -3.054 223 HB2 CYS 35 HB2 CYS 35 -3.161 4.528 -1.852 224 HB3 CYS 35 HB3 CYS 35 -2.785 4.400 -3.565 225 H LEU 36 H LEU 36 0.676 5.512 -3.522 226 HA LEU 36 HA LEU 36 -0.127 8.090 -2.430 227 HB2 LEU 36 HB2 LEU 36 2.610 7.047 -3.089 228 HB3 LEU 36 HB3 LEU 36 2.279 8.756 -2.880 229 HG LEU 36 HG LEU 36 1.827 6.654 -0.761 230 HD11 LEU 36 HD11 LEU 36 3.759 7.617 0.346 231 HD12 LEU 36 HD12 LEU 36 4.021 8.702 -1.022 232 HD13 LEU 36 HD13 LEU 36 4.209 6.959 -1.231 233 HD21 LEU 36 HD21 LEU 36 1.668 9.660 -0.710 234 HD22 LEU 36 HD22 LEU 36 1.563 8.605 0.703 235 HD23 LEU 36 HD23 LEU 36 0.325 8.525 -0.547 236 H1 MAN 101 H1 MAN 101 -8.780 6.328 2.318 237 H2 MAN 101 H2 MAN 101 -6.751 5.523 3.574 238 H3 MAN 101 H3 MAN 101 -7.125 3.116 3.478 239 H4 MAN 101 H4 MAN 101 -9.551 3.755 5.205 240 H5 MAN 101 H5 MAN 101 -9.437 2.737 2.279 241 H61 MAN 101 H61 MAN 101 -11.621 3.221 4.306 242 H62 MAN 101 H62 MAN 101 -11.361 1.753 3.332 243 HO2 MAN 101 HO2 MAN 101 -7.808 5.784 5.616 244 HO3 MAN 101 HO3 MAN 101 -6.114 4.045 5.401 245 HO4 MAN 101 HO4 MAN 101 -8.560 1.259 4.194 246 HO6 MAN 101 HO6 MAN 101 -11.882 4.335 2.228 Start of MODEL 8 1 H1 THR 1 H1 THR 1 -11.554 -0.834 -4.252 2 H2 THR 1 H2 THR 1 -11.763 -0.232 -5.832 3 H3 THR 1 H3 THR 1 -11.877 0.800 -4.501 4 HA THR 1 HA THR 1 -9.440 -0.576 -5.349 5 HB THR 1 HB THR 1 -8.746 1.849 -5.687 6 HG1 THR 1 HG1 THR 1 -10.484 2.938 -4.704 7 HG21 THR 1 HG21 THR 1 -10.858 0.649 -7.484 8 HG22 THR 1 HG22 THR 1 -9.115 0.363 -7.573 9 HG23 THR 1 HG23 THR 1 -9.771 1.955 -7.948 10 H GLN 2 H GLN 2 -7.592 0.215 -4.109 11 HA GLN 2 HA GLN 2 -8.267 0.614 -1.365 12 HB2 GLN 2 HB2 GLN 2 -6.382 -0.873 -1.934 13 HB3 GLN 2 HB3 GLN 2 -5.567 0.456 -2.751 14 HG2 GLN 2 HG2 GLN 2 -4.661 0.053 -0.487 15 HG3 GLN 2 HG3 GLN 2 -5.349 1.658 -0.700 16 HE21 GLN 2 HE21 GLN 2 -5.868 2.057 1.215 17 HE22 GLN 2 HE22 GLN 2 -7.029 1.251 2.232 18 H SER 3 H SER 3 -7.972 2.501 -0.214 19 HA SER 3 HA SER 3 -8.350 4.834 -1.705 20 HB2 SER 3 HB2 SER 3 -8.480 5.937 0.435 21 HB3 SER 3 HB3 SER 3 -9.443 4.468 0.467 22 H HIS 4 H HIS 4 -7.249 6.744 -1.313 23 HA HIS 4 HA HIS 4 -4.450 6.640 -1.907 24 HB2 HIS 4 HB2 HIS 4 -6.181 8.346 -2.752 25 HB3 HIS 4 HB3 HIS 4 -6.126 9.051 -1.147 26 HD1 HIS 4 HD1 HIS 4 -5.370 11.201 -2.628 27 HD2 HIS 4 HD2 HIS 4 -2.644 8.099 -2.357 28 HE1 HIS 4 HE1 HIS 4 -3.198 12.153 -3.413 29 HE2 HIS 4 HE2 HIS 4 -1.855 10.053 -3.754 30 H TYR 5 H TYR 5 -2.825 6.771 -0.412 31 HA TYR 5 HA TYR 5 -1.714 6.973 1.467 32 HB2 TYR 5 HB2 TYR 5 -4.069 8.596 2.340 33 HB3 TYR 5 HB3 TYR 5 -2.832 8.156 3.516 34 HD1 TYR 5 HD1 TYR 5 -0.784 9.241 3.563 35 HD2 TYR 5 HD2 TYR 5 -3.434 9.994 0.344 36 HE1 TYR 5 HE1 TYR 5 0.645 11.090 2.844 37 HE2 TYR 5 HE2 TYR 5 -2.009 11.858 -0.398 38 HH TYR 5 HH TYR 5 1.113 12.238 0.897 39 H GLY 6 H GLY 6 -4.004 4.997 0.912 40 HA2 GLY 6 HA2 GLY 6 -4.131 3.772 3.553 41 HA3 GLY 6 HA3 GLY 6 -5.038 3.301 2.139 42 H GLN 7 H GLN 7 -3.744 1.389 3.617 43 HA GLN 7 HA GLN 7 -1.110 0.873 2.631 44 HB2 GLN 7 HB2 GLN 7 -2.061 0.198 4.909 45 HB3 GLN 7 HB3 GLN 7 -2.956 -1.048 4.059 46 HG2 GLN 7 HG2 GLN 7 -0.929 -2.111 3.369 47 HG3 GLN 7 HG3 GLN 7 0.058 -0.824 4.056 48 HE21 GLN 7 HE21 GLN 7 0.313 -3.549 4.741 49 HE22 GLN 7 HE22 GLN 7 -0.139 -3.723 6.382 50 H CYS 8 H CYS 8 -0.606 -0.249 0.842 51 HA CYS 8 HA CYS 8 -2.883 -1.347 -0.679 52 HB2 CYS 8 HB2 CYS 8 -1.511 -0.951 -2.665 53 HB3 CYS 8 HB3 CYS 8 -1.921 0.502 -1.761 54 H GLY 9 H GLY 9 -0.584 -2.705 1.126 55 HA2 GLY 9 HA2 GLY 9 -0.796 -5.254 0.540 56 HA3 GLY 9 HA3 GLY 9 -0.053 -4.731 -0.955 57 H GLY 10 H GLY 10 0.444 -4.490 2.490 58 HA2 GLY 10 HA2 GLY 10 3.291 -4.906 1.990 59 HA3 GLY 10 HA3 GLY 10 2.593 -4.322 3.507 60 H ILE 11 H ILE 11 4.268 -6.394 3.706 61 HA ILE 11 HA ILE 11 2.969 -8.870 3.591 62 HB ILE 11 HB ILE 11 5.267 -7.968 5.354 63 HG12 ILE 11 HG12 ILE 11 5.220 -9.503 2.742 64 HG13 ILE 11 HG13 ILE 11 5.640 -7.807 2.925 65 HG21 ILE 11 HG21 ILE 11 4.293 -10.769 4.740 66 HG22 ILE 11 HG22 ILE 11 4.177 -9.960 6.298 67 HG23 ILE 11 HG23 ILE 11 5.760 -10.369 5.632 68 HD11 ILE 11 HD11 ILE 11 7.574 -8.429 4.253 69 HD12 ILE 11 HD12 ILE 11 7.598 -9.223 2.674 70 HD13 ILE 11 HD13 ILE 11 7.121 -10.125 4.113 71 H GLY 12 H GLY 12 1.364 -9.618 4.788 72 HA2 GLY 12 HA2 GLY 12 0.292 -10.069 6.852 73 HA3 GLY 12 HA3 GLY 12 1.001 -8.598 7.507 74 H TYR 13 H TYR 13 -0.037 -7.905 4.467 75 HA TYR 13 HA TYR 13 -2.563 -6.873 5.513 76 HB2 TYR 13 HB2 TYR 13 -0.930 -5.201 4.632 77 HB3 TYR 13 HB3 TYR 13 -1.061 -5.969 3.057 78 HD1 TYR 13 HD1 TYR 13 -2.473 -4.956 1.540 79 HD2 TYR 13 HD2 TYR 13 -3.334 -4.584 5.675 80 HE1 TYR 13 HE1 TYR 13 -4.354 -3.490 1.009 81 HE2 TYR 13 HE2 TYR 13 -5.238 -3.106 5.149 82 HH TYR 13 HH TYR 13 -6.258 -2.559 1.855 83 H SER 14 H SER 14 -4.136 -8.114 5.067 84 HA SER 14 HA SER 14 -4.146 -9.844 2.723 85 HB2 SER 14 HB2 SER 14 -6.071 -9.811 5.041 86 HB3 SER 14 HB3 SER 14 -5.669 -11.153 3.970 87 HG SER 14 HG SER 14 -4.253 -11.662 5.487 88 H GLY 15 H GLY 15 -5.023 -6.804 3.272 89 HA2 GLY 15 HA2 GLY 15 -7.799 -6.871 2.370 90 HA3 GLY 15 HA3 GLY 15 -6.898 -5.452 2.870 91 HA PRO 16 HA PRO 16 -7.476 -5.331 -1.781 92 HB2 PRO 16 HB2 PRO 16 -7.792 -2.463 -1.118 93 HB3 PRO 16 HB3 PRO 16 -8.797 -3.501 -2.138 94 HG2 PRO 16 HG2 PRO 16 -9.635 -2.718 0.254 95 HG3 PRO 16 HG3 PRO 16 -9.972 -4.353 -0.342 96 HD2 PRO 16 HD2 PRO 16 -7.904 -3.447 1.631 97 HD3 PRO 16 HD3 PRO 16 -8.947 -4.880 1.671 98 H THR 17 H THR 17 -5.703 -5.279 -2.941 99 HA THR 17 HA THR 17 -3.440 -3.577 -2.156 100 HB THR 17 HB THR 17 -2.202 -5.158 -3.659 101 HG1 THR 17 HG1 THR 17 -3.533 -6.235 -4.891 102 HG21 THR 17 HG21 THR 17 -2.192 -6.996 -2.029 103 HG22 THR 17 HG22 THR 17 -3.714 -6.410 -1.354 104 HG23 THR 17 HG23 THR 17 -2.253 -5.434 -1.207 105 H VAL 18 H VAL 18 -5.980 -3.425 -4.253 106 HA VAL 18 HA VAL 18 -4.375 -2.489 -6.508 107 HB VAL 18 HB VAL 18 -7.379 -2.897 -6.374 108 HG11 VAL 18 HG11 VAL 18 -6.756 -1.271 -8.061 109 HG12 VAL 18 HG12 VAL 18 -7.289 -2.771 -8.830 110 HG13 VAL 18 HG13 VAL 18 -5.570 -2.392 -8.731 111 HG21 VAL 18 HG21 VAL 18 -6.982 -4.932 -7.707 112 HG22 VAL 18 HG22 VAL 18 -6.215 -5.021 -6.122 113 HG23 VAL 18 HG23 VAL 18 -5.242 -4.675 -7.553 114 H CYS 19 H CYS 19 -3.815 -0.426 -6.356 115 HA CYS 19 HA CYS 19 -5.215 1.423 -4.756 116 HB2 CYS 19 HB2 CYS 19 -2.967 1.765 -6.728 117 HB3 CYS 19 HB3 CYS 19 -3.560 3.017 -5.650 118 H ALA 20 H ALA 20 -6.290 3.248 -5.377 119 HA ALA 20 HA ALA 20 -8.026 3.080 -7.571 120 HB1 ALA 20 HB1 ALA 20 -7.252 5.478 -5.911 121 HB2 ALA 20 HB2 ALA 20 -8.545 4.335 -5.539 122 HB3 ALA 20 HB3 ALA 20 -8.663 5.369 -6.964 123 H SER 21 H SER 21 -8.118 4.387 -9.434 124 HA SER 21 HA SER 21 -5.714 4.640 -10.843 125 HB2 SER 21 HB2 SER 21 -8.360 5.999 -11.389 126 HB3 SER 21 HB3 SER 21 -7.058 5.754 -12.556 127 HG SER 21 HG SER 21 -7.407 3.412 -11.692 128 H GLY 22 H GLY 22 -4.151 6.063 -10.704 129 HA2 GLY 22 HA2 GLY 22 -3.436 8.367 -10.786 130 HA3 GLY 22 HA3 GLY 22 -4.777 8.747 -9.713 131 H THR 23 H THR 23 -3.922 6.023 -8.371 132 HA THR 23 HA THR 23 -1.825 7.305 -6.800 133 HB THR 23 HB THR 23 -2.562 6.041 -4.860 134 HG1 THR 23 HG1 THR 23 -4.400 4.941 -6.726 135 HG21 THR 23 HG21 THR 23 -3.542 8.234 -5.195 136 HG22 THR 23 HG22 THR 23 -4.728 7.152 -4.467 137 HG23 THR 23 HG23 THR 23 -4.820 7.535 -6.187 138 H THR 24 H THR 24 -0.080 6.110 -6.206 139 HA THR 24 HA THR 24 0.223 3.601 -7.689 140 HB THR 24 HB THR 24 2.705 4.138 -7.639 141 HG1 THR 24 HG1 THR 24 1.671 6.499 -6.455 142 HG21 THR 24 HG21 THR 24 2.586 5.737 -9.499 143 HG22 THR 24 HG22 THR 24 0.918 6.113 -9.068 144 HG23 THR 24 HG23 THR 24 1.335 4.501 -9.648 145 H CYS 25 H CYS 25 0.830 1.793 -6.557 146 HA CYS 25 HA CYS 25 0.808 1.974 -3.710 147 HB2 CYS 25 HB2 CYS 25 -0.254 0.054 -4.749 148 HB3 CYS 25 HB3 CYS 25 1.223 -0.440 -5.542 149 H GLN 26 H GLN 26 2.498 2.805 -2.772 150 HA GLN 26 HA GLN 26 5.122 2.106 -3.803 151 HB2 GLN 26 HB2 GLN 26 4.225 4.382 -2.042 152 HB3 GLN 26 HB3 GLN 26 5.892 4.106 -2.521 153 HG2 GLN 26 HG2 GLN 26 5.198 4.315 -4.887 154 HG3 GLN 26 HG3 GLN 26 3.565 4.683 -4.354 155 HE21 GLN 26 HE21 GLN 26 3.543 6.629 -5.319 156 HE22 GLN 26 HE22 GLN 26 4.465 7.992 -4.782 157 H VAL 27 H VAL 27 6.061 0.566 -2.824 158 HA VAL 27 HA VAL 27 5.324 -0.279 -0.184 159 HB VAL 27 HB VAL 27 7.655 -1.207 -1.914 160 HG11 VAL 27 HG11 VAL 27 7.660 -3.212 -0.498 161 HG12 VAL 27 HG12 VAL 27 6.380 -2.512 0.492 162 HG13 VAL 27 HG13 VAL 27 7.971 -1.754 0.447 163 HG21 VAL 27 HG21 VAL 27 4.906 -2.411 -1.583 164 HG22 VAL 27 HG22 VAL 27 6.232 -3.111 -2.513 165 HG23 VAL 27 HG23 VAL 27 5.510 -1.582 -3.017 166 H LEU 28 H LEU 28 5.812 1.149 1.284 167 HA LEU 28 HA LEU 28 8.229 2.714 1.216 168 HB2 LEU 28 HB2 LEU 28 5.999 2.554 3.235 169 HB3 LEU 28 HB3 LEU 28 7.307 3.722 3.285 170 HG LEU 28 HG LEU 28 5.286 3.522 1.042 171 HD11 LEU 28 HD11 LEU 28 5.459 5.483 3.323 172 HD12 LEU 28 HD12 LEU 28 4.208 4.253 3.074 173 HD13 LEU 28 HD13 LEU 28 4.375 5.588 1.933 174 HD21 LEU 28 HD21 LEU 28 7.382 5.552 1.695 175 HD22 LEU 28 HD22 LEU 28 6.184 5.698 0.403 176 HD23 LEU 28 HD23 LEU 28 7.415 4.428 0.333 177 H ASN 29 H ASN 29 6.899 0.037 3.008 178 HA ASN 29 HA ASN 29 9.525 -0.612 4.010 179 HB2 ASN 29 HB2 ASN 29 7.070 -0.491 5.817 180 HB3 ASN 29 HB3 ASN 29 8.676 -1.018 6.278 181 HD21 ASN 29 HD21 ASN 29 6.629 1.698 5.687 182 HD22 ASN 29 HD22 ASN 29 7.682 2.916 6.296 183 HA PRO 30 HA PRO 30 8.338 -4.686 2.797 184 HB2 PRO 30 HB2 PRO 30 8.608 -5.665 5.603 185 HB3 PRO 30 HB3 PRO 30 9.341 -6.298 4.126 186 HG2 PRO 30 HG2 PRO 30 10.799 -4.893 5.834 187 HG3 PRO 30 HG3 PRO 30 10.991 -4.655 4.088 188 HD2 PRO 30 HD2 PRO 30 9.578 -2.955 6.092 189 HD3 PRO 30 HD3 PRO 30 10.563 -2.463 4.696 190 H TYR 31 H TYR 31 6.835 -3.734 5.884 191 HA TYR 31 HA TYR 31 4.519 -5.386 5.171 192 HB2 TYR 31 HB2 TYR 31 5.112 -4.011 7.819 193 HB3 TYR 31 HB3 TYR 31 3.844 -5.176 7.492 194 HD1 TYR 31 HD1 TYR 31 7.554 -4.823 7.649 195 HD2 TYR 31 HD2 TYR 31 4.241 -7.479 7.754 196 HE1 TYR 31 HE1 TYR 31 9.046 -6.627 8.280 197 HE2 TYR 31 HE2 TYR 31 5.735 -9.316 8.387 198 HH TYR 31 HH TYR 31 8.942 -8.739 9.342 199 H TYR 32 H TYR 32 5.591 -2.125 5.596 200 HA TYR 32 HA TYR 32 2.865 -1.177 5.294 201 HB2 TYR 32 HB2 TYR 32 4.249 -0.165 7.057 202 HB3 TYR 32 HB3 TYR 32 5.320 0.469 5.810 203 HD1 TYR 32 HD1 TYR 32 1.685 0.372 6.581 204 HD2 TYR 32 HD2 TYR 32 4.994 2.676 5.201 205 HE1 TYR 32 HE1 TYR 32 0.239 2.341 6.414 206 HE2 TYR 32 HE2 TYR 32 3.602 4.611 5.036 207 HH TYR 32 HH TYR 32 0.381 4.689 6.362 208 H SER 33 H SER 33 2.079 -0.841 3.347 209 HA SER 33 HA SER 33 3.792 0.411 1.313 210 HB2 SER 33 HB2 SER 33 1.646 -1.684 0.793 211 HB3 SER 33 HB3 SER 33 2.731 -0.971 -0.398 212 HG SER 33 HG SER 33 3.453 -3.044 0.273 213 H GLN 34 H GLN 34 2.682 2.117 0.213 214 HA GLN 34 HA GLN 34 -0.076 2.576 1.107 215 HB2 GLN 34 HB2 GLN 34 1.217 3.868 2.631 216 HB3 GLN 34 HB3 GLN 34 2.259 4.465 1.357 217 HG2 GLN 34 HG2 GLN 34 0.442 5.820 0.479 218 HG3 GLN 34 HG3 GLN 34 -0.647 5.146 1.688 219 HE21 GLN 34 HE21 GLN 34 -0.648 5.992 3.729 220 HE22 GLN 34 HE22 GLN 34 0.344 7.315 4.202 221 H CYS 35 H CYS 35 -1.439 3.371 -0.407 222 HA CYS 35 HA CYS 35 -0.510 3.716 -3.118 223 HB2 CYS 35 HB2 CYS 35 -3.256 4.328 -1.988 224 HB3 CYS 35 HB3 CYS 35 -2.813 4.257 -3.684 225 H LEU 36 H LEU 36 0.577 5.486 -3.572 226 HA LEU 36 HA LEU 36 -0.462 8.037 -2.595 227 HB2 LEU 36 HB2 LEU 36 2.333 7.229 -3.364 228 HB3 LEU 36 HB3 LEU 36 1.847 8.898 -3.137 229 HG LEU 36 HG LEU 36 1.677 6.783 -0.991 230 HD11 LEU 36 HD11 LEU 36 3.600 7.912 0.001 231 HD12 LEU 36 HD12 LEU 36 3.702 8.973 -1.407 232 HD13 LEU 36 HD13 LEU 36 4.000 7.242 -1.582 233 HD21 LEU 36 HD21 LEU 36 0.062 8.580 -0.712 234 HD22 LEU 36 HD22 LEU 36 1.336 9.779 -0.933 235 HD23 LEU 36 HD23 LEU 36 1.352 8.722 0.478 236 H1 MAN 101 H1 MAN 101 -8.398 5.978 2.638 237 H2 MAN 101 H2 MAN 101 -6.283 5.039 3.671 238 H3 MAN 101 H3 MAN 101 -6.738 2.659 3.402 239 H4 MAN 101 H4 MAN 101 -8.951 3.190 5.392 240 H5 MAN 101 H5 MAN 101 -9.072 2.416 2.405 241 H61 MAN 101 H61 MAN 101 -11.201 2.761 4.546 242 H62 MAN 101 H62 MAN 101 -10.936 1.337 3.514 243 HO2 MAN 101 HO2 MAN 101 -7.723 6.287 4.858 244 HO3 MAN 101 HO3 MAN 101 -6.847 3.597 6.071 245 HO4 MAN 101 HO4 MAN 101 -7.802 1.226 5.572 246 HO6 MAN 101 HO6 MAN 101 -11.352 3.845 2.302 Start of MODEL 9 1 H1 THR 1 H1 THR 1 -11.672 -0.071 -4.671 2 H2 THR 1 H2 THR 1 -10.830 -1.477 -4.245 3 H3 THR 1 H3 THR 1 -11.185 -1.165 -5.863 4 HA THR 1 HA THR 1 -8.914 -0.654 -5.392 5 HB THR 1 HB THR 1 -9.055 1.858 -5.951 6 HG1 THR 1 HG1 THR 1 -11.338 2.292 -6.741 7 HG21 THR 1 HG21 THR 1 -9.825 1.420 -8.235 8 HG22 THR 1 HG22 THR 1 -10.536 -0.105 -7.716 9 HG23 THR 1 HG23 THR 1 -8.782 0.117 -7.668 10 H GLN 2 H GLN 2 -7.438 0.039 -4.008 11 HA GLN 2 HA GLN 2 -8.240 0.813 -1.395 12 HB2 GLN 2 HB2 GLN 2 -6.389 -0.761 -1.742 13 HB3 GLN 2 HB3 GLN 2 -5.488 0.459 -2.625 14 HG2 GLN 2 HG2 GLN 2 -4.697 0.200 -0.334 15 HG3 GLN 2 HG3 GLN 2 -5.319 1.815 -0.654 16 HE21 GLN 2 HE21 GLN 2 -5.877 2.322 1.206 17 HE22 GLN 2 HE22 GLN 2 -7.085 1.608 2.249 18 H SER 3 H SER 3 -7.869 2.780 -0.373 19 HA SER 3 HA SER 3 -8.126 5.009 -2.106 20 HB2 SER 3 HB2 SER 3 -8.605 6.214 -0.044 21 HB3 SER 3 HB3 SER 3 -9.520 4.705 -0.094 22 H HIS 4 H HIS 4 -7.055 6.961 -1.531 23 HA HIS 4 HA HIS 4 -4.219 6.791 -1.903 24 HB2 HIS 4 HB2 HIS 4 -5.773 8.519 -2.939 25 HB3 HIS 4 HB3 HIS 4 -5.910 9.251 -1.356 26 HD1 HIS 4 HD1 HIS 4 -4.849 11.475 -2.106 27 HD2 HIS 4 HD2 HIS 4 -2.419 8.182 -2.774 28 HE1 HIS 4 HE1 HIS 4 -2.638 12.404 -2.802 29 HE2 HIS 4 HE2 HIS 4 -1.379 10.378 -3.587 30 H TYR 5 H TYR 5 -2.702 6.894 -0.331 31 HA TYR 5 HA TYR 5 -1.673 7.053 1.602 32 HB2 TYR 5 HB2 TYR 5 -3.929 8.875 2.261 33 HB3 TYR 5 HB3 TYR 5 -2.815 8.401 3.546 34 HD1 TYR 5 HD1 TYR 5 -3.124 10.165 0.322 35 HD2 TYR 5 HD2 TYR 5 -0.611 9.256 3.613 36 HE1 TYR 5 HE1 TYR 5 -1.520 11.850 -0.443 37 HE2 TYR 5 HE2 TYR 5 0.991 10.932 2.875 38 HH TYR 5 HH TYR 5 0.274 13.218 0.454 39 H GLY 6 H GLY 6 -3.842 5.134 0.940 40 HA2 GLY 6 HA2 GLY 6 -4.229 4.017 3.607 41 HA3 GLY 6 HA3 GLY 6 -5.039 3.561 2.122 42 H GLN 7 H GLN 7 -3.814 1.671 3.777 43 HA GLN 7 HA GLN 7 -1.186 1.061 2.804 44 HB2 GLN 7 HB2 GLN 7 -2.125 0.485 5.084 45 HB3 GLN 7 HB3 GLN 7 -3.082 -0.756 4.288 46 HG2 GLN 7 HG2 GLN 7 -1.069 -1.891 3.585 47 HG3 GLN 7 HG3 GLN 7 -0.062 -0.629 4.291 48 HE21 GLN 7 HE21 GLN 7 0.083 -3.356 4.997 49 HE22 GLN 7 HE22 GLN 7 -0.418 -3.502 6.628 50 H CYS 8 H CYS 8 -0.699 -0.122 1.034 51 HA CYS 8 HA CYS 8 -2.994 -1.246 -0.444 52 HB2 CYS 8 HB2 CYS 8 -1.694 -0.879 -2.452 53 HB3 CYS 8 HB3 CYS 8 -1.986 0.600 -1.545 54 H GLY 9 H GLY 9 -0.508 -2.485 1.332 55 HA2 GLY 9 HA2 GLY 9 -0.763 -5.080 0.818 56 HA3 GLY 9 HA3 GLY 9 -0.056 -4.557 -0.689 57 H GLY 10 H GLY 10 0.504 -4.411 2.758 58 HA2 GLY 10 HA2 GLY 10 3.349 -4.782 2.193 59 HA3 GLY 10 HA3 GLY 10 2.662 -4.321 3.758 60 H ILE 11 H ILE 11 4.356 -6.444 3.730 61 HA ILE 11 HA ILE 11 3.173 -8.959 3.347 62 HB ILE 11 HB ILE 11 5.168 -8.215 5.521 63 HG12 ILE 11 HG12 ILE 11 5.727 -9.265 2.739 64 HG13 ILE 11 HG13 ILE 11 5.898 -7.579 3.216 65 HG21 ILE 11 HG21 ILE 11 4.141 -10.403 5.889 66 HG22 ILE 11 HG22 ILE 11 5.836 -10.580 5.432 67 HG23 ILE 11 HG23 ILE 11 4.569 -10.894 4.248 68 HD11 ILE 11 HD11 ILE 11 7.626 -8.200 4.816 69 HD12 ILE 11 HD12 ILE 11 8.048 -8.725 3.187 70 HD13 ILE 11 HD13 ILE 11 7.439 -9.893 4.366 71 H GLY 12 H GLY 12 1.485 -9.869 4.322 72 HA2 GLY 12 HA2 GLY 12 0.377 -10.607 6.316 73 HA3 GLY 12 HA3 GLY 12 0.854 -9.100 7.090 74 H TYR 13 H TYR 13 0.099 -7.615 4.610 75 HA TYR 13 HA TYR 13 -2.671 -7.266 5.367 76 HB2 TYR 13 HB2 TYR 13 -1.193 -5.298 5.067 77 HB3 TYR 13 HB3 TYR 13 -0.973 -5.733 3.382 78 HD1 TYR 13 HD1 TYR 13 -2.316 -4.687 1.803 79 HD2 TYR 13 HD2 TYR 13 -3.700 -4.899 5.802 80 HE1 TYR 13 HE1 TYR 13 -4.227 -3.256 1.201 81 HE2 TYR 13 HE2 TYR 13 -5.629 -3.460 5.202 82 HH TYR 13 HH TYR 13 -6.213 -2.545 1.863 83 H SER 14 H SER 14 -4.161 -8.406 4.441 84 HA SER 14 HA SER 14 -3.788 -9.319 1.677 85 HB2 SER 14 HB2 SER 14 -5.387 -10.577 3.920 86 HB3 SER 14 HB3 SER 14 -5.155 -11.247 2.303 87 HG SER 14 HG SER 14 -2.889 -11.216 2.757 88 H GLY 15 H GLY 15 -5.041 -6.867 2.988 89 HA2 GLY 15 HA2 GLY 15 -7.844 -7.027 2.275 90 HA3 GLY 15 HA3 GLY 15 -6.972 -5.609 2.831 91 HA PRO 16 HA PRO 16 -7.832 -4.831 -1.662 92 HB2 PRO 16 HB2 PRO 16 -7.763 -2.098 -0.467 93 HB3 PRO 16 HB3 PRO 16 -8.901 -2.770 -1.641 94 HG2 PRO 16 HG2 PRO 16 -9.657 -2.439 0.876 95 HG3 PRO 16 HG3 PRO 16 -10.111 -3.912 0.000 96 HD2 PRO 16 HD2 PRO 16 -7.936 -3.528 2.033 97 HD3 PRO 16 HD3 PRO 16 -9.077 -4.868 1.857 98 H THR 17 H THR 17 -5.958 -5.060 -2.727 99 HA THR 17 HA THR 17 -3.595 -3.549 -1.855 100 HB THR 17 HB THR 17 -2.424 -5.362 -3.229 101 HG1 THR 17 HG1 THR 17 -3.840 -6.522 -4.281 102 HG21 THR 17 HG21 THR 17 -3.940 -6.173 -0.736 103 HG22 THR 17 HG22 THR 17 -2.411 -5.298 -0.768 104 HG23 THR 17 HG23 THR 17 -2.486 -6.961 -1.358 105 H VAL 18 H VAL 18 -5.941 -3.348 -4.101 106 HA VAL 18 HA VAL 18 -4.095 -2.451 -6.205 107 HB VAL 18 HB VAL 18 -7.064 -3.047 -6.471 108 HG11 VAL 18 HG11 VAL 18 -6.662 -2.929 -8.887 109 HG12 VAL 18 HG12 VAL 18 -4.981 -2.498 -8.586 110 HG13 VAL 18 HG13 VAL 18 -6.270 -1.404 -8.092 111 HG21 VAL 18 HG21 VAL 18 -6.398 -5.081 -7.662 112 HG22 VAL 18 HG22 VAL 18 -5.795 -5.088 -6.007 113 HG23 VAL 18 HG23 VAL 18 -4.702 -4.719 -7.340 114 H CYS 19 H CYS 19 -3.724 -0.357 -6.057 115 HA CYS 19 HA CYS 19 -5.311 1.404 -4.542 116 HB2 CYS 19 HB2 CYS 19 -3.076 1.943 -6.487 117 HB3 CYS 19 HB3 CYS 19 -3.743 3.089 -5.336 118 H ALA 20 H ALA 20 -6.284 3.337 -5.254 119 HA ALA 20 HA ALA 20 -8.111 3.087 -7.378 120 HB1 ALA 20 HB1 ALA 20 -8.531 4.445 -5.384 121 HB2 ALA 20 HB2 ALA 20 -8.689 5.412 -6.852 122 HB3 ALA 20 HB3 ALA 20 -7.240 5.545 -5.857 123 H SER 21 H SER 21 -8.295 4.576 -9.211 124 HA SER 21 HA SER 21 -5.989 4.478 -10.793 125 HB2 SER 21 HB2 SER 21 -8.540 6.041 -11.227 126 HB3 SER 21 HB3 SER 21 -7.367 5.577 -12.465 127 HG SER 21 HG SER 21 -8.015 3.383 -11.161 128 H GLY 22 H GLY 22 -4.306 5.755 -10.728 129 HA2 GLY 22 HA2 GLY 22 -3.423 7.981 -11.055 130 HA3 GLY 22 HA3 GLY 22 -4.674 8.570 -9.968 131 H THR 23 H THR 23 -4.036 5.949 -8.375 132 HA THR 23 HA THR 23 -1.784 7.172 -6.961 133 HB THR 23 HB THR 23 -2.518 5.926 -4.968 134 HG1 THR 23 HG1 THR 23 -4.449 4.948 -6.782 135 HG21 THR 23 HG21 THR 23 -4.550 7.225 -4.502 136 HG22 THR 23 HG22 THR 23 -4.670 7.611 -6.218 137 HG23 THR 23 HG23 THR 23 -3.296 8.195 -5.274 138 H THR 24 H THR 24 -0.063 5.945 -6.343 139 HA THR 24 HA THR 24 0.129 3.345 -7.679 140 HB THR 24 HB THR 24 2.654 3.758 -7.493 141 HG1 THR 24 HG1 THR 24 1.687 6.185 -6.484 142 HG21 THR 24 HG21 THR 24 0.997 5.566 -9.246 143 HG22 THR 24 HG22 THR 24 1.488 3.909 -9.608 144 HG23 THR 24 HG23 THR 24 2.698 5.184 -9.500 145 H CYS 25 H CYS 25 0.657 1.568 -6.503 146 HA CYS 25 HA CYS 25 0.619 1.811 -3.654 147 HB2 CYS 25 HB2 CYS 25 -0.439 -0.136 -4.666 148 HB3 CYS 25 HB3 CYS 25 1.066 -0.642 -5.409 149 H GLN 26 H GLN 26 2.329 2.740 -2.802 150 HA GLN 26 HA GLN 26 4.932 1.976 -3.812 151 HB2 GLN 26 HB2 GLN 26 4.052 4.303 -2.128 152 HB3 GLN 26 HB3 GLN 26 5.725 3.991 -2.561 153 HG2 GLN 26 HG2 GLN 26 5.088 4.142 -4.953 154 HG3 GLN 26 HG3 GLN 26 3.445 4.532 -4.461 155 HE21 GLN 26 HE21 GLN 26 3.474 6.478 -5.471 156 HE22 GLN 26 HE22 GLN 26 4.379 7.830 -4.886 157 H VAL 27 H VAL 27 5.817 0.388 -2.853 158 HA VAL 27 HA VAL 27 5.248 -0.366 -0.168 159 HB VAL 27 HB VAL 27 7.511 -1.266 -1.992 160 HG11 VAL 27 HG11 VAL 27 7.642 -3.243 -0.549 161 HG12 VAL 27 HG12 VAL 27 6.393 -2.560 0.491 162 HG13 VAL 27 HG13 VAL 27 7.956 -1.761 0.361 163 HG21 VAL 27 HG21 VAL 27 5.341 -1.731 -3.000 164 HG22 VAL 27 HG22 VAL 27 4.802 -2.509 -1.516 165 HG23 VAL 27 HG23 VAL 27 6.104 -3.230 -2.466 166 H LEU 28 H LEU 28 5.807 1.047 1.281 167 HA LEU 28 HA LEU 28 8.179 2.685 1.031 168 HB2 LEU 28 HB2 LEU 28 6.060 2.542 3.176 169 HB3 LEU 28 HB3 LEU 28 7.340 3.740 3.105 170 HG LEU 28 HG LEU 28 5.167 3.426 1.020 171 HD11 LEU 28 HD11 LEU 28 4.251 4.219 3.115 172 HD12 LEU 28 HD12 LEU 28 4.291 5.509 1.910 173 HD13 LEU 28 HD13 LEU 28 5.491 5.475 3.203 174 HD21 LEU 28 HD21 LEU 28 7.265 5.507 1.447 175 HD22 LEU 28 HD22 LEU 28 5.971 5.588 0.245 176 HD23 LEU 28 HD23 LEU 28 7.223 4.339 0.118 177 H ASN 29 H ASN 29 6.925 0.086 2.981 178 HA ASN 29 HA ASN 29 9.590 -0.512 3.981 179 HB2 ASN 29 HB2 ASN 29 7.078 -0.377 5.700 180 HB3 ASN 29 HB3 ASN 29 8.647 -0.948 6.226 181 HD21 ASN 29 HD21 ASN 29 6.725 1.837 5.490 182 HD22 ASN 29 HD22 ASN 29 7.796 3.010 6.134 183 HA PRO 30 HA PRO 30 8.362 -4.646 2.890 184 HB2 PRO 30 HB2 PRO 30 8.661 -5.553 5.714 185 HB3 PRO 30 HB3 PRO 30 9.370 -6.219 4.241 186 HG2 PRO 30 HG2 PRO 30 10.864 -4.786 5.892 187 HG3 PRO 30 HG3 PRO 30 11.016 -4.575 4.137 188 HD2 PRO 30 HD2 PRO 30 9.626 -2.844 6.139 189 HD3 PRO 30 HD3 PRO 30 10.610 -2.374 4.737 190 H TYR 31 H TYR 31 6.851 -3.544 5.924 191 HA TYR 31 HA TYR 31 4.525 -5.209 5.235 192 HB2 TYR 31 HB2 TYR 31 5.118 -3.896 7.909 193 HB3 TYR 31 HB3 TYR 31 3.875 -5.085 7.556 194 HD1 TYR 31 HD1 TYR 31 4.410 -7.425 7.325 195 HD2 TYR 31 HD2 TYR 31 7.487 -4.589 8.066 196 HE1 TYR 31 HE1 TYR 31 5.982 -9.251 7.817 197 HE2 TYR 31 HE2 TYR 31 9.054 -6.390 8.556 198 HH TYR 31 HH TYR 31 8.429 -9.584 7.742 199 H TYR 32 H TYR 32 5.630 -1.979 5.682 200 HA TYR 32 HA TYR 32 2.912 -1.006 5.439 201 HB2 TYR 32 HB2 TYR 32 4.398 0.015 7.132 202 HB3 TYR 32 HB3 TYR 32 5.403 0.617 5.823 203 HD1 TYR 32 HD1 TYR 32 1.774 0.551 6.646 204 HD2 TYR 32 HD2 TYR 32 5.103 2.826 5.251 205 HE1 TYR 32 HE1 TYR 32 0.354 2.535 6.485 206 HE2 TYR 32 HE2 TYR 32 3.714 4.789 5.095 207 HH TYR 32 HH TYR 32 0.647 4.940 6.524 208 H SER 33 H SER 33 2.107 -0.743 3.500 209 HA SER 33 HA SER 33 3.775 0.491 1.425 210 HB2 SER 33 HB2 SER 33 1.682 -1.669 0.979 211 HB3 SER 33 HB3 SER 33 2.703 -0.933 -0.256 212 HG SER 33 HG SER 33 3.409 -3.043 0.576 213 H GLN 34 H GLN 34 2.646 2.139 0.312 214 HA GLN 34 HA GLN 34 -0.102 2.598 1.204 215 HB2 GLN 34 HB2 GLN 34 1.142 3.886 2.749 216 HB3 GLN 34 HB3 GLN 34 2.237 4.464 1.510 217 HG2 GLN 34 HG2 GLN 34 0.520 5.885 0.598 218 HG3 GLN 34 HG3 GLN 34 -0.667 5.198 1.702 219 HE21 GLN 34 HE21 GLN 34 -0.807 5.962 3.751 220 HE22 GLN 34 HE22 GLN 34 0.162 7.233 4.369 221 H CYS 35 H CYS 35 -1.446 3.436 -0.277 222 HA CYS 35 HA CYS 35 -0.570 3.711 -3.003 223 HB2 CYS 35 HB2 CYS 35 -3.241 4.448 -1.794 224 HB3 CYS 35 HB3 CYS 35 -2.864 4.346 -3.507 225 H LEU 36 H LEU 36 0.496 5.405 -3.621 226 HA LEU 36 HA LEU 36 -0.341 8.033 -2.677 227 HB2 LEU 36 HB2 LEU 36 2.432 7.046 -3.331 228 HB3 LEU 36 HB3 LEU 36 2.026 8.731 -3.081 229 HG LEU 36 HG LEU 36 1.714 6.566 -1.006 230 HD11 LEU 36 HD11 LEU 36 4.064 7.006 -1.484 231 HD12 LEU 36 HD12 LEU 36 3.605 7.628 0.103 232 HD13 LEU 36 HD13 LEU 36 3.789 8.734 -1.257 233 HD21 LEU 36 HD21 LEU 36 1.408 9.559 -0.847 234 HD22 LEU 36 HD22 LEU 36 1.350 8.447 0.520 235 HD23 LEU 36 HD23 LEU 36 0.113 8.367 -0.725 236 H1 MAN 101 H1 MAN 101 -9.000 6.202 2.213 237 H2 MAN 101 H2 MAN 101 -6.864 5.771 3.374 238 H3 MAN 101 H3 MAN 101 -6.786 3.384 2.818 239 H4 MAN 101 H4 MAN 101 -8.949 3.158 4.911 240 H5 MAN 101 H5 MAN 101 -8.998 2.452 1.937 241 H61 MAN 101 H61 MAN 101 -10.501 1.183 3.484 242 H62 MAN 101 H62 MAN 101 -11.372 2.127 2.260 243 HO2 MAN 101 HO2 MAN 101 -9.240 5.022 4.800 244 HO3 MAN 101 HO3 MAN 101 -6.839 3.980 5.603 245 HO4 MAN 101 HO4 MAN 101 -7.338 1.520 4.881 246 HO6 MAN 101 HO6 MAN 101 -11.657 3.771 3.796 Start of MODEL 10 1 H1 THR 1 H1 THR 1 -11.926 -0.275 -4.160 2 H2 THR 1 H2 THR 1 -11.298 -1.872 -4.021 3 H3 THR 1 H3 THR 1 -11.753 -1.206 -5.528 4 HA THR 1 HA THR 1 -9.347 -1.203 -5.189 5 HB THR 1 HB THR 1 -10.325 1.557 -5.515 6 HG1 THR 1 HG1 THR 1 -11.220 0.424 -7.671 7 HG21 THR 1 HG21 THR 1 -8.874 -0.412 -7.293 8 HG22 THR 1 HG22 THR 1 -8.123 0.849 -6.315 9 HG23 THR 1 HG23 THR 1 -9.158 1.280 -7.680 10 H GLN 2 H GLN 2 -7.625 -0.143 -4.059 11 HA GLN 2 HA GLN 2 -8.304 0.507 -1.359 12 HB2 GLN 2 HB2 GLN 2 -6.331 -0.882 -1.914 13 HB3 GLN 2 HB3 GLN 2 -5.640 0.486 -2.772 14 HG2 GLN 2 HG2 GLN 2 -4.693 0.180 -0.500 15 HG3 GLN 2 HG3 GLN 2 -5.465 1.744 -0.747 16 HE21 GLN 2 HE21 GLN 2 -6.050 2.167 1.207 17 HE22 GLN 2 HE22 GLN 2 -7.174 1.254 2.176 18 H SER 3 H SER 3 -8.002 2.490 -0.296 19 HA SER 3 HA SER 3 -8.438 4.739 -1.978 20 HB2 SER 3 HB2 SER 3 -8.834 5.917 0.120 21 HB3 SER 3 HB3 SER 3 -9.747 4.408 0.067 22 H HIS 4 H HIS 4 -7.378 6.722 -1.454 23 HA HIS 4 HA HIS 4 -4.534 6.594 -1.940 24 HB2 HIS 4 HB2 HIS 4 -6.251 8.358 -2.812 25 HB3 HIS 4 HB3 HIS 4 -6.079 9.102 -1.239 26 HD1 HIS 4 HD1 HIS 4 -5.298 11.018 -3.203 27 HD2 HIS 4 HD2 HIS 4 -2.612 8.053 -2.125 28 HE1 HIS 4 HE1 HIS 4 -3.071 11.801 -4.019 29 HE2 HIS 4 HE2 HIS 4 -1.644 9.770 -3.761 30 H TYR 5 H TYR 5 -2.885 6.920 -0.469 31 HA TYR 5 HA TYR 5 -1.789 7.117 1.405 32 HB2 TYR 5 HB2 TYR 5 -4.207 8.627 2.317 33 HB3 TYR 5 HB3 TYR 5 -2.890 8.284 3.438 34 HD1 TYR 5 HD1 TYR 5 -0.891 9.531 3.374 35 HD2 TYR 5 HD2 TYR 5 -3.751 10.002 0.272 36 HE1 TYR 5 HE1 TYR 5 0.355 11.463 2.531 37 HE2 TYR 5 HE2 TYR 5 -2.518 11.934 -0.582 38 HH TYR 5 HH TYR 5 -0.956 13.615 0.283 39 H GLY 6 H GLY 6 -4.147 5.131 0.898 40 HA2 GLY 6 HA2 GLY 6 -4.283 3.920 3.519 41 HA3 GLY 6 HA3 GLY 6 -5.066 3.367 2.052 42 H GLN 7 H GLN 7 -3.728 1.605 3.693 43 HA GLN 7 HA GLN 7 -1.063 1.218 2.700 44 HB2 GLN 7 HB2 GLN 7 -1.763 0.692 5.049 45 HB3 GLN 7 HB3 GLN 7 -2.789 -0.590 4.406 46 HG2 GLN 7 HG2 GLN 7 -0.837 -1.772 3.605 47 HG3 GLN 7 HG3 GLN 7 0.204 -0.459 4.156 48 HE21 GLN 7 HE21 GLN 7 0.312 -3.196 4.969 49 HE22 GLN 7 HE22 GLN 7 -0.017 -3.262 6.652 50 H CYS 8 H CYS 8 -0.635 0.184 0.863 51 HA CYS 8 HA CYS 8 -2.871 -1.155 -0.474 52 HB2 CYS 8 HB2 CYS 8 -1.531 -0.912 -2.516 53 HB3 CYS 8 HB3 CYS 8 -1.932 0.613 -1.741 54 H GLY 9 H GLY 9 -0.763 -2.381 1.474 55 HA2 GLY 9 HA2 GLY 9 -0.913 -4.900 1.273 56 HA3 GLY 9 HA3 GLY 9 -0.318 -4.656 -0.355 57 H GLY 10 H GLY 10 0.441 -4.528 2.996 58 HA2 GLY 10 HA2 GLY 10 3.276 -4.781 2.310 59 HA3 GLY 10 HA3 GLY 10 2.634 -4.461 3.930 60 H ILE 11 H ILE 11 4.312 -6.502 3.914 61 HA ILE 11 HA ILE 11 3.138 -9.007 3.382 62 HB ILE 11 HB ILE 11 5.204 -8.284 5.495 63 HG12 ILE 11 HG12 ILE 11 5.579 -9.437 2.719 64 HG13 ILE 11 HG13 ILE 11 5.888 -7.766 3.178 65 HG21 ILE 11 HG21 ILE 11 5.801 -10.679 5.469 66 HG22 ILE 11 HG22 ILE 11 4.424 -10.991 4.405 67 HG23 ILE 11 HG23 ILE 11 4.157 -10.395 6.041 68 HD11 ILE 11 HD11 ILE 11 7.653 -8.508 4.690 69 HD12 ILE 11 HD12 ILE 11 7.949 -9.056 3.041 70 HD13 ILE 11 HD13 ILE 11 7.329 -10.184 4.248 71 H GLY 12 H GLY 12 1.296 -9.708 4.219 72 HA2 GLY 12 HA2 GLY 12 0.238 -10.645 6.183 73 HA3 GLY 12 HA3 GLY 12 0.778 -9.231 7.074 74 H TYR 13 H TYR 13 -0.031 -7.799 4.396 75 HA TYR 13 HA TYR 13 -2.673 -7.122 5.433 76 HB2 TYR 13 HB2 TYR 13 -1.078 -5.319 4.808 77 HB3 TYR 13 HB3 TYR 13 -1.091 -5.901 3.154 78 HD1 TYR 13 HD1 TYR 13 -3.156 -4.291 5.775 79 HD2 TYR 13 HD2 TYR 13 -2.820 -5.198 1.629 80 HE1 TYR 13 HE1 TYR 13 -4.991 -2.724 5.277 81 HE2 TYR 13 HE2 TYR 13 -4.643 -3.652 1.131 82 HH TYR 13 HH TYR 13 -6.285 -2.403 2.010 83 H SER 14 H SER 14 -4.335 -8.277 4.752 84 HA SER 14 HA SER 14 -4.168 -9.715 2.221 85 HB2 SER 14 HB2 SER 14 -6.099 -9.965 4.523 86 HB3 SER 14 HB3 SER 14 -6.010 -11.037 3.121 87 HG SER 14 HG SER 14 -3.594 -10.917 4.062 88 H GLY 15 H GLY 15 -5.354 -6.848 3.309 89 HA2 GLY 15 HA2 GLY 15 -7.942 -6.815 2.082 90 HA3 GLY 15 HA3 GLY 15 -7.072 -5.436 2.722 91 HA PRO 16 HA PRO 16 -7.472 -4.993 -1.869 92 HB2 PRO 16 HB2 PRO 16 -7.733 -2.165 -0.979 93 HB3 PRO 16 HB3 PRO 16 -8.702 -3.059 -2.159 94 HG2 PRO 16 HG2 PRO 16 -9.683 -2.525 0.240 95 HG3 PRO 16 HG3 PRO 16 -9.954 -4.112 -0.508 96 HD2 PRO 16 HD2 PRO 16 -7.982 -3.343 1.619 97 HD3 PRO 16 HD3 PRO 16 -9.033 -4.768 1.519 98 H THR 17 H THR 17 -5.651 -4.911 -2.961 99 HA THR 17 HA THR 17 -3.376 -3.394 -1.905 100 HB THR 17 HB THR 17 -2.083 -4.930 -3.456 101 HG1 THR 17 HG1 THR 17 -3.393 -5.940 -4.771 102 HG21 THR 17 HG21 THR 17 -3.679 -6.228 -1.229 103 HG22 THR 17 HG22 THR 17 -2.205 -5.293 -1.014 104 HG23 THR 17 HG23 THR 17 -2.153 -6.823 -1.889 105 H VAL 18 H VAL 18 -5.658 -3.497 -4.352 106 HA VAL 18 HA VAL 18 -3.990 -2.267 -6.397 107 HB VAL 18 HB VAL 18 -6.992 -2.753 -6.461 108 HG11 VAL 18 HG11 VAL 18 -5.063 -2.131 -8.694 109 HG12 VAL 18 HG12 VAL 18 -6.290 -1.049 -8.039 110 HG13 VAL 18 HG13 VAL 18 -6.772 -2.514 -8.893 111 HG21 VAL 18 HG21 VAL 18 -4.784 -4.445 -7.639 112 HG22 VAL 18 HG22 VAL 18 -6.514 -4.730 -7.827 113 HG23 VAL 18 HG23 VAL 18 -5.760 -4.874 -6.238 114 H CYS 19 H CYS 19 -3.541 -0.193 -6.064 115 HA CYS 19 HA CYS 19 -5.121 1.528 -4.496 116 HB2 CYS 19 HB2 CYS 19 -2.906 2.075 -6.453 117 HB3 CYS 19 HB3 CYS 19 -3.595 3.256 -5.349 118 H ALA 20 H ALA 20 -6.462 3.177 -5.065 119 HA ALA 20 HA ALA 20 -8.066 2.985 -7.315 120 HB1 ALA 20 HB1 ALA 20 -7.469 5.439 -5.658 121 HB2 ALA 20 HB2 ALA 20 -8.697 4.226 -5.297 122 HB3 ALA 20 HB3 ALA 20 -8.849 5.233 -6.738 123 H SER 21 H SER 21 -7.921 3.695 -9.303 124 HA SER 21 HA SER 21 -5.572 4.214 -10.570 125 HB2 SER 21 HB2 SER 21 -8.316 5.167 -11.401 126 HB3 SER 21 HB3 SER 21 -6.934 4.915 -12.477 127 HG SER 21 HG SER 21 -6.915 2.728 -11.661 128 H GLY 22 H GLY 22 -4.259 5.849 -10.868 129 HA2 GLY 22 HA2 GLY 22 -3.812 8.187 -11.119 130 HA3 GLY 22 HA3 GLY 22 -5.081 8.504 -9.938 131 H THR 23 H THR 23 -4.010 6.051 -8.405 132 HA THR 23 HA THR 23 -1.770 7.496 -7.193 133 HB THR 23 HB THR 23 -2.360 6.468 -5.029 134 HG1 THR 23 HG1 THR 23 -4.495 5.292 -6.510 135 HG21 THR 23 HG21 THR 23 -4.495 7.613 -4.639 136 HG22 THR 23 HG22 THR 23 -4.710 7.774 -6.385 137 HG23 THR 23 HG23 THR 23 -3.381 8.602 -5.581 138 H THR 24 H THR 24 -0.037 6.220 -6.338 139 HA THR 24 HA THR 24 0.195 3.671 -7.748 140 HB THR 24 HB THR 24 2.684 4.108 -7.619 141 HG1 THR 24 HG1 THR 24 1.731 6.421 -6.393 142 HG21 THR 24 HG21 THR 24 1.445 4.451 -9.691 143 HG22 THR 24 HG22 THR 24 2.688 5.692 -9.506 144 HG23 THR 24 HG23 THR 24 1.001 6.076 -9.167 145 H CYS 25 H CYS 25 0.859 1.891 -6.616 146 HA CYS 25 HA CYS 25 0.791 2.106 -3.743 147 HB2 CYS 25 HB2 CYS 25 -0.375 0.250 -4.711 148 HB3 CYS 25 HB3 CYS 25 1.058 -0.307 -5.567 149 H GLN 26 H GLN 26 2.533 2.722 -2.763 150 HA GLN 26 HA GLN 26 5.101 1.930 -3.883 151 HB2 GLN 26 HB2 GLN 26 4.356 4.229 -2.081 152 HB3 GLN 26 HB3 GLN 26 5.989 3.870 -2.627 153 HG2 GLN 26 HG2 GLN 26 5.348 4.241 -4.927 154 HG3 GLN 26 HG3 GLN 26 3.670 4.466 -4.450 155 HE21 GLN 26 HE21 GLN 26 3.564 6.454 -5.342 156 HE22 GLN 26 HE22 GLN 26 4.335 7.842 -4.660 157 H VAL 27 H VAL 27 5.947 0.280 -2.900 158 HA VAL 27 HA VAL 27 5.246 -0.444 -0.213 159 HB VAL 27 HB VAL 27 7.406 -1.609 -2.022 160 HG11 VAL 27 HG11 VAL 27 7.328 -3.571 -0.545 161 HG12 VAL 27 HG12 VAL 27 6.154 -2.753 0.481 162 HG13 VAL 27 HG13 VAL 27 7.789 -2.121 0.349 163 HG21 VAL 27 HG21 VAL 27 4.588 -2.571 -1.519 164 HG22 VAL 27 HG22 VAL 27 5.801 -3.407 -2.488 165 HG23 VAL 27 HG23 VAL 27 5.181 -1.839 -3.009 166 H LEU 28 H LEU 28 5.909 0.963 1.183 167 HA LEU 28 HA LEU 28 8.367 2.442 0.934 168 HB2 LEU 28 HB2 LEU 28 6.293 2.391 3.125 169 HB3 LEU 28 HB3 LEU 28 7.585 3.564 2.975 170 HG LEU 28 HG LEU 28 5.357 3.223 0.956 171 HD11 LEU 28 HD11 LEU 28 4.502 5.337 1.820 172 HD12 LEU 28 HD12 LEU 28 5.725 5.318 3.093 173 HD13 LEU 28 HD13 LEU 28 4.468 4.076 3.047 174 HD21 LEU 28 HD21 LEU 28 7.392 4.100 -0.009 175 HD22 LEU 28 HD22 LEU 28 7.482 5.289 1.298 176 HD23 LEU 28 HD23 LEU 28 6.165 5.373 0.122 177 H ASN 29 H ASN 29 7.066 -0.140 2.882 178 HA ASN 29 HA ASN 29 9.705 -0.793 3.922 179 HB2 ASN 29 HB2 ASN 29 7.202 -0.500 5.629 180 HB3 ASN 29 HB3 ASN 29 8.744 -1.109 6.197 181 HD21 ASN 29 HD21 ASN 29 6.924 1.664 5.309 182 HD22 ASN 29 HD22 ASN 29 7.990 2.853 5.938 183 HA PRO 30 HA PRO 30 8.283 -4.891 2.982 184 HB2 PRO 30 HB2 PRO 30 8.427 -5.758 5.810 185 HB3 PRO 30 HB3 PRO 30 9.188 -6.470 4.384 186 HG2 PRO 30 HG2 PRO 30 10.632 -5.073 6.127 187 HG3 PRO 30 HG3 PRO 30 10.930 -4.934 4.386 188 HD2 PRO 30 HD2 PRO 30 9.523 -3.053 6.226 189 HD3 PRO 30 HD3 PRO 30 10.594 -2.700 4.852 190 H TYR 31 H TYR 31 6.775 -3.593 5.931 191 HA TYR 31 HA TYR 31 4.383 -5.175 5.257 192 HB2 TYR 31 HB2 TYR 31 4.948 -3.797 7.893 193 HB3 TYR 31 HB3 TYR 31 3.717 -4.995 7.549 194 HD1 TYR 31 HD1 TYR 31 4.272 -7.356 7.455 195 HD2 TYR 31 HD2 TYR 31 7.298 -4.462 8.151 196 HE1 TYR 31 HE1 TYR 31 5.823 -9.141 8.137 197 HE2 TYR 31 HE2 TYR 31 8.846 -6.223 8.827 198 HH TYR 31 HH TYR 31 8.749 -8.455 9.696 199 H TYR 32 H TYR 32 5.624 -1.977 5.669 200 HA TYR 32 HA TYR 32 2.964 -0.870 5.392 201 HB2 TYR 32 HB2 TYR 32 4.445 0.056 7.121 202 HB3 TYR 32 HB3 TYR 32 5.543 0.601 5.858 203 HD1 TYR 32 HD1 TYR 32 5.387 2.840 5.272 204 HD2 TYR 32 HD2 TYR 32 1.904 0.782 6.624 205 HE1 TYR 32 HE1 TYR 32 4.122 4.906 5.130 206 HE2 TYR 32 HE2 TYR 32 0.619 2.853 6.471 207 HH TYR 32 HH TYR 32 1.329 5.378 6.653 208 H SER 33 H SER 33 2.173 -0.512 3.476 209 HA SER 33 HA SER 33 3.895 0.599 1.390 210 HB2 SER 33 HB2 SER 33 1.706 -1.472 0.978 211 HB3 SER 33 HB3 SER 33 2.764 -0.804 -0.265 212 HG SER 33 HG SER 33 3.325 -2.953 0.650 213 H GLN 34 H GLN 34 2.760 2.251 0.231 214 HA GLN 34 HA GLN 34 0.033 2.745 1.156 215 HB2 GLN 34 HB2 GLN 34 1.304 4.039 2.695 216 HB3 GLN 34 HB3 GLN 34 2.350 4.648 1.427 217 HG2 GLN 34 HG2 GLN 34 0.560 6.017 0.551 218 HG3 GLN 34 HG3 GLN 34 -0.567 5.288 1.692 219 HE21 GLN 34 HE21 GLN 34 -0.727 6.097 3.716 220 HE22 GLN 34 HE22 GLN 34 0.238 7.394 4.305 221 H CYS 35 H CYS 35 -1.309 3.610 -0.270 222 HA CYS 35 HA CYS 35 -0.497 3.906 -3.013 223 HB2 CYS 35 HB2 CYS 35 -3.124 4.595 -1.679 224 HB3 CYS 35 HB3 CYS 35 -2.837 4.553 -3.412 225 H LEU 36 H LEU 36 0.546 5.657 -3.630 226 HA LEU 36 HA LEU 36 -0.364 8.254 -2.660 227 HB2 LEU 36 HB2 LEU 36 2.451 7.356 -3.288 228 HB3 LEU 36 HB3 LEU 36 1.991 9.036 -3.084 229 HG LEU 36 HG LEU 36 1.748 6.919 -0.945 230 HD11 LEU 36 HD11 LEU 36 3.609 8.066 0.123 231 HD12 LEU 36 HD12 LEU 36 3.744 9.149 -1.262 232 HD13 LEU 36 HD13 LEU 36 4.083 7.427 -1.453 233 HD21 LEU 36 HD21 LEU 36 1.349 9.905 -0.882 234 HD22 LEU 36 HD22 LEU 36 1.339 8.841 0.524 235 HD23 LEU 36 HD23 LEU 36 0.092 8.676 -0.712 236 H1 MAN 101 H1 MAN 101 -9.167 5.863 2.427 237 H2 MAN 101 H2 MAN 101 -7.119 5.177 3.679 238 H3 MAN 101 H3 MAN 101 -7.152 2.837 3.021 239 H4 MAN 101 H4 MAN 101 -9.542 2.634 4.883 240 H5 MAN 101 H5 MAN 101 -9.346 2.199 1.855 241 H61 MAN 101 H61 MAN 101 -11.097 0.886 3.052 242 H62 MAN 101 H62 MAN 101 -11.776 2.064 1.906 243 HO2 MAN 101 HO2 MAN 101 -8.989 5.968 4.760 244 HO3 MAN 101 HO3 MAN 101 -6.830 1.932 5.065 245 HO4 MAN 101 HO4 MAN 101 -9.442 0.440 4.166 246 HO6 MAN 101 HO6 MAN 101 -11.754 3.514 3.874 Start of MODEL 11 1 H1 THR 1 H1 THR 1 -10.936 -1.448 -5.640 2 H2 THR 1 H2 THR 1 -11.373 -0.347 -4.453 3 H3 THR 1 H3 THR 1 -10.626 -1.786 -3.997 4 HA THR 1 HA THR 1 -8.619 -1.007 -5.148 5 HB THR 1 HB THR 1 -8.761 1.561 -5.533 6 HG1 THR 1 HG1 THR 1 -10.790 2.355 -5.939 7 HG21 THR 1 HG21 THR 1 -8.327 -0.057 -7.329 8 HG22 THR 1 HG22 THR 1 -9.408 1.215 -7.889 9 HG23 THR 1 HG23 THR 1 -10.053 -0.371 -7.481 10 H GLN 2 H GLN 2 -7.082 -0.044 -3.813 11 HA GLN 2 HA GLN 2 -8.036 0.689 -1.183 12 HB2 GLN 2 HB2 GLN 2 -6.103 -0.833 -1.386 13 HB3 GLN 2 HB3 GLN 2 -5.210 0.416 -2.242 14 HG2 GLN 2 HG2 GLN 2 -4.579 0.228 0.132 15 HG3 GLN 2 HG3 GLN 2 -5.200 1.816 -0.307 16 HE21 GLN 2 HE21 GLN 2 -5.867 2.356 1.581 17 HE22 GLN 2 HE22 GLN 2 -7.146 1.622 2.523 18 H SER 3 H SER 3 -7.662 2.669 -0.177 19 HA SER 3 HA SER 3 -8.004 4.813 -1.998 20 HB2 SER 3 HB2 SER 3 -8.551 6.094 -0.023 21 HB3 SER 3 HB3 SER 3 -9.437 4.571 -0.041 22 H HIS 4 H HIS 4 -7.073 6.854 -1.393 23 HA HIS 4 HA HIS 4 -4.240 6.834 -1.825 24 HB2 HIS 4 HB2 HIS 4 -5.919 8.437 -2.824 25 HB3 HIS 4 HB3 HIS 4 -6.077 9.169 -1.246 26 HD1 HIS 4 HD1 HIS 4 -5.333 11.371 -2.567 27 HD2 HIS 4 HD2 HIS 4 -2.414 8.455 -2.193 28 HE1 HIS 4 HE1 HIS 4 -3.186 12.505 -3.127 29 HE2 HIS 4 HE2 HIS 4 -1.531 10.654 -3.232 30 H TYR 5 H TYR 5 -2.690 7.020 -0.310 31 HA TYR 5 HA TYR 5 -1.609 7.256 1.583 32 HB2 TYR 5 HB2 TYR 5 -3.976 8.885 2.355 33 HB3 TYR 5 HB3 TYR 5 -2.753 8.509 3.573 34 HD1 TYR 5 HD1 TYR 5 -3.552 10.456 0.587 35 HD2 TYR 5 HD2 TYR 5 -0.493 9.420 3.347 36 HE1 TYR 5 HE1 TYR 5 -2.200 12.345 -0.205 37 HE2 TYR 5 HE2 TYR 5 0.867 11.294 2.566 38 HH TYR 5 HH TYR 5 1.088 12.684 0.630 39 H GLY 6 H GLY 6 -3.917 5.286 1.071 40 HA2 GLY 6 HA2 GLY 6 -4.116 4.185 3.756 41 HA3 GLY 6 HA3 GLY 6 -5.003 3.680 2.336 42 H GLN 7 H GLN 7 -3.650 1.844 4.008 43 HA GLN 7 HA GLN 7 -1.120 1.153 2.836 44 HB2 GLN 7 HB2 GLN 7 -1.818 0.703 5.244 45 HB3 GLN 7 HB3 GLN 7 -2.851 -0.575 4.604 46 HG2 GLN 7 HG2 GLN 7 -0.920 -1.746 3.744 47 HG3 GLN 7 HG3 GLN 7 0.152 -0.464 4.294 48 HE21 GLN 7 HE21 GLN 7 0.381 -3.180 5.072 49 HE22 GLN 7 HE22 GLN 7 0.066 -3.269 6.748 50 H CYS 8 H CYS 8 -0.868 0.038 1.019 51 HA CYS 8 HA CYS 8 -3.233 -1.284 -0.161 52 HB2 CYS 8 HB2 CYS 8 -1.994 -1.018 -2.276 53 HB3 CYS 8 HB3 CYS 8 -2.451 0.489 -1.496 54 H GLY 9 H GLY 9 -0.916 -2.467 1.602 55 HA2 GLY 9 HA2 GLY 9 -1.122 -4.992 1.331 56 HA3 GLY 9 HA3 GLY 9 -0.678 -4.680 -0.323 57 H GLY 10 H GLY 10 0.491 -4.302 2.933 58 HA2 GLY 10 HA2 GLY 10 3.207 -4.835 1.968 59 HA3 GLY 10 HA3 GLY 10 2.764 -4.272 3.588 60 H ILE 11 H ILE 11 4.320 -6.412 3.629 61 HA ILE 11 HA ILE 11 3.038 -8.888 3.380 62 HB ILE 11 HB ILE 11 5.256 -8.138 5.308 63 HG12 ILE 11 HG12 ILE 11 5.428 -9.329 2.538 64 HG13 ILE 11 HG13 ILE 11 5.704 -7.631 2.901 65 HG21 ILE 11 HG21 ILE 11 4.204 -10.265 5.899 66 HG22 ILE 11 HG22 ILE 11 5.820 -10.539 5.247 67 HG23 ILE 11 HG23 ILE 11 4.400 -10.833 4.239 68 HD11 ILE 11 HD11 ILE 11 7.793 -8.789 2.662 69 HD12 ILE 11 HD12 ILE 11 7.309 -9.959 3.894 70 HD13 ILE 11 HD13 ILE 11 7.576 -8.272 4.336 71 H GLY 12 H GLY 12 1.274 -9.524 4.352 72 HA2 GLY 12 HA2 GLY 12 0.340 -10.325 6.439 73 HA3 GLY 12 HA3 GLY 12 0.864 -8.816 7.173 74 H TYR 13 H TYR 13 -0.067 -7.709 4.357 75 HA TYR 13 HA TYR 13 -2.731 -7.026 5.347 76 HB2 TYR 13 HB2 TYR 13 -1.106 -5.246 4.589 77 HB3 TYR 13 HB3 TYR 13 -1.209 -5.925 2.976 78 HD1 TYR 13 HD1 TYR 13 -3.249 -5.534 1.597 79 HD2 TYR 13 HD2 TYR 13 -2.900 -3.944 5.533 80 HE1 TYR 13 HE1 TYR 13 -5.147 -4.035 1.163 81 HE2 TYR 13 HE2 TYR 13 -4.830 -2.460 5.094 82 HH TYR 13 HH TYR 13 -5.900 -1.456 2.974 83 H SER 14 H SER 14 -4.596 -7.751 4.355 84 HA SER 14 HA SER 14 -4.214 -9.440 1.980 85 HB2 SER 14 HB2 SER 14 -5.878 -10.084 4.409 86 HB3 SER 14 HB3 SER 14 -5.696 -11.096 2.972 87 HG SER 14 HG SER 14 -3.376 -10.980 3.464 88 H GLY 15 H GLY 15 -5.518 -6.695 2.743 89 HA2 GLY 15 HA2 GLY 15 -8.220 -7.154 1.749 90 HA3 GLY 15 HA3 GLY 15 -7.561 -5.635 2.333 91 HA PRO 16 HA PRO 16 -7.617 -5.096 -2.162 92 HB2 PRO 16 HB2 PRO 16 -7.847 -2.365 -2.073 93 HB3 PRO 16 HB3 PRO 16 -9.221 -3.468 -2.032 94 HG2 PRO 16 HG2 PRO 16 -7.952 -1.953 0.166 95 HG3 PRO 16 HG3 PRO 16 -9.637 -2.440 -0.038 96 HD2 PRO 16 HD2 PRO 16 -7.795 -3.680 1.630 97 HD3 PRO 16 HD3 PRO 16 -9.295 -4.415 1.044 98 H THR 17 H THR 17 -5.664 -5.341 -2.982 99 HA THR 17 HA THR 17 -3.487 -3.764 -1.908 100 HB THR 17 HB THR 17 -2.084 -5.546 -3.094 101 HG1 THR 17 HG1 THR 17 -3.144 -6.982 -4.168 102 HG21 THR 17 HG21 THR 17 -3.963 -6.425 -0.894 103 HG22 THR 17 HG22 THR 17 -2.533 -5.441 -0.657 104 HG23 THR 17 HG23 THR 17 -2.366 -7.105 -1.236 105 H VAL 18 H VAL 18 -5.557 -3.588 -4.345 106 HA VAL 18 HA VAL 18 -3.595 -2.426 -6.182 107 HB VAL 18 HB VAL 18 -6.474 -3.245 -6.747 108 HG11 VAL 18 HG11 VAL 18 -5.794 -1.328 -8.105 109 HG12 VAL 18 HG12 VAL 18 -5.938 -2.775 -9.105 110 HG13 VAL 18 HG13 VAL 18 -4.347 -2.195 -8.618 111 HG21 VAL 18 HG21 VAL 18 -4.992 -5.168 -6.463 112 HG22 VAL 18 HG22 VAL 18 -3.878 -4.492 -7.650 113 HG23 VAL 18 HG23 VAL 18 -5.495 -4.997 -8.144 114 H CYS 19 H CYS 19 -3.436 -0.305 -6.090 115 HA CYS 19 HA CYS 19 -5.186 1.228 -4.496 116 HB2 CYS 19 HB2 CYS 19 -2.927 1.999 -6.317 117 HB3 CYS 19 HB3 CYS 19 -3.772 3.094 -5.231 118 H ALA 20 H ALA 20 -6.248 3.128 -5.162 119 HA ALA 20 HA ALA 20 -7.960 2.868 -7.360 120 HB1 ALA 20 HB1 ALA 20 -8.500 4.201 -5.384 121 HB2 ALA 20 HB2 ALA 20 -8.560 5.191 -6.849 122 HB3 ALA 20 HB3 ALA 20 -7.177 5.304 -5.767 123 H SER 21 H SER 21 -7.910 3.894 -9.375 124 HA SER 21 HA SER 21 -5.404 4.170 -10.551 125 HB2 SER 21 HB2 SER 21 -8.089 5.150 -11.533 126 HB3 SER 21 HB3 SER 21 -6.673 4.747 -12.517 127 HG SER 21 HG SER 21 -8.308 3.032 -12.324 128 H GLY 22 H GLY 22 -4.084 5.858 -10.651 129 HA2 GLY 22 HA2 GLY 22 -3.708 8.254 -10.847 130 HA3 GLY 22 HA3 GLY 22 -5.102 8.485 -9.793 131 H THR 23 H THR 23 -3.997 6.005 -8.285 132 HA THR 23 HA THR 23 -1.852 7.413 -6.855 133 HB THR 23 HB THR 23 -2.530 6.238 -4.803 134 HG1 THR 23 HG1 THR 23 -4.425 5.066 -6.529 135 HG21 THR 23 HG21 THR 23 -3.501 8.414 -5.104 136 HG22 THR 23 HG22 THR 23 -4.707 7.352 -4.381 137 HG23 THR 23 HG23 THR 23 -4.792 7.745 -6.099 138 H THR 24 H THR 24 -0.092 6.097 -6.201 139 HA THR 24 HA THR 24 -0.079 3.494 -7.551 140 HB THR 24 HB THR 24 2.418 3.757 -7.655 141 HG1 THR 24 HG1 THR 24 1.759 6.306 -6.573 142 HG21 THR 24 HG21 THR 24 2.405 5.338 -9.542 143 HG22 THR 24 HG22 THR 24 0.809 5.902 -9.051 144 HG23 THR 24 HG23 THR 24 1.020 4.246 -9.609 145 H CYS 25 H CYS 25 0.545 1.681 -6.425 146 HA CYS 25 HA CYS 25 0.602 1.928 -3.565 147 HB2 CYS 25 HB2 CYS 25 -0.578 0.032 -4.625 148 HB3 CYS 25 HB3 CYS 25 0.955 -0.557 -5.274 149 H GLN 26 H GLN 26 2.377 2.836 -2.883 150 HA GLN 26 HA GLN 26 4.928 1.902 -3.907 151 HB2 GLN 26 HB2 GLN 26 4.221 4.248 -2.140 152 HB3 GLN 26 HB3 GLN 26 5.846 3.853 -2.691 153 HG2 GLN 26 HG2 GLN 26 5.197 4.196 -4.990 154 HG3 GLN 26 HG3 GLN 26 3.530 4.478 -4.503 155 HE21 GLN 26 HE21 GLN 26 3.483 6.471 -5.420 156 HE22 GLN 26 HE22 GLN 26 4.321 7.833 -4.776 157 H VAL 27 H VAL 27 5.770 0.250 -2.900 158 HA VAL 27 HA VAL 27 5.089 -0.390 -0.195 159 HB VAL 27 HB VAL 27 7.264 -1.584 -1.954 160 HG11 VAL 27 HG11 VAL 27 7.554 -2.068 0.413 161 HG12 VAL 27 HG12 VAL 27 7.118 -3.530 -0.478 162 HG13 VAL 27 HG13 VAL 27 5.910 -2.691 0.499 163 HG21 VAL 27 HG21 VAL 27 5.102 -1.814 -3.045 164 HG22 VAL 27 HG22 VAL 27 4.412 -2.493 -1.571 165 HG23 VAL 27 HG23 VAL 27 5.657 -3.379 -2.446 166 H LEU 28 H LEU 28 5.764 1.091 1.122 167 HA LEU 28 HA LEU 28 8.244 2.522 0.767 168 HB2 LEU 28 HB2 LEU 28 6.219 2.612 3.000 169 HB3 LEU 28 HB3 LEU 28 7.538 3.745 2.779 170 HG LEU 28 HG LEU 28 5.230 3.383 0.852 171 HD11 LEU 28 HD11 LEU 28 5.763 5.546 2.881 172 HD12 LEU 28 HD12 LEU 28 4.461 4.350 2.929 173 HD13 LEU 28 HD13 LEU 28 4.490 5.574 1.660 174 HD21 LEU 28 HD21 LEU 28 7.275 4.156 -0.220 175 HD22 LEU 28 HD22 LEU 28 7.401 5.430 1.006 176 HD23 LEU 28 HD23 LEU 28 6.059 5.443 -0.141 177 H ASN 29 H ASN 29 6.920 0.060 2.861 178 HA ASN 29 HA ASN 29 9.591 -0.559 3.879 179 HB2 ASN 29 HB2 ASN 29 7.068 -0.611 5.592 180 HB3 ASN 29 HB3 ASN 29 8.672 -1.070 6.092 181 HD21 ASN 29 HD21 ASN 29 7.696 1.886 4.432 182 HD22 ASN 29 HD22 ASN 29 8.127 2.969 5.708 183 HA PRO 30 HA PRO 30 8.322 -4.686 2.726 184 HB2 PRO 30 HB2 PRO 30 8.600 -5.597 5.543 185 HB3 PRO 30 HB3 PRO 30 9.294 -6.290 4.073 186 HG2 PRO 30 HG2 PRO 30 10.841 -4.894 5.706 187 HG3 PRO 30 HG3 PRO 30 10.981 -4.695 3.949 188 HD2 PRO 30 HD2 PRO 30 9.665 -2.914 5.958 189 HD3 PRO 30 HD3 PRO 30 10.629 -2.469 4.536 190 H TYR 31 H TYR 31 6.857 -3.530 5.763 191 HA TYR 31 HA TYR 31 4.497 -5.161 5.104 192 HB2 TYR 31 HB2 TYR 31 4.982 -3.750 7.744 193 HB3 TYR 31 HB3 TYR 31 3.843 -5.028 7.385 194 HD1 TYR 31 HD1 TYR 31 4.595 -7.346 7.139 195 HD2 TYR 31 HD2 TYR 31 7.307 -4.267 8.202 196 HE1 TYR 31 HE1 TYR 31 6.233 -9.034 7.846 197 HE2 TYR 31 HE2 TYR 31 8.950 -5.938 8.915 198 HH TYR 31 HH TYR 31 8.560 -9.264 8.196 199 H TYR 32 H TYR 32 5.665 -1.936 5.439 200 HA TYR 32 HA TYR 32 2.973 -0.871 5.294 201 HB2 TYR 32 HB2 TYR 32 4.566 0.109 6.915 202 HB3 TYR 32 HB3 TYR 32 5.555 0.648 5.564 203 HD1 TYR 32 HD1 TYR 32 1.989 0.794 6.586 204 HD2 TYR 32 HD2 TYR 32 5.337 2.862 4.965 205 HE1 TYR 32 HE1 TYR 32 0.666 2.844 6.501 206 HE2 TYR 32 HE2 TYR 32 4.059 4.901 4.875 207 HH TYR 32 HH TYR 32 1.617 5.575 4.776 208 H SER 33 H SER 33 2.088 -0.552 3.423 209 HA SER 33 HA SER 33 3.698 0.481 1.202 210 HB2 SER 33 HB2 SER 33 1.427 -1.530 0.945 211 HB3 SER 33 HB3 SER 33 2.484 -0.956 -0.347 212 HG SER 33 HG SER 33 3.115 -3.035 0.439 213 H GLN 34 H GLN 34 2.628 2.225 0.199 214 HA GLN 34 HA GLN 34 -0.078 2.773 1.164 215 HB2 GLN 34 HB2 GLN 34 1.246 4.017 2.693 216 HB3 GLN 34 HB3 GLN 34 2.314 4.584 1.427 217 HG2 GLN 34 HG2 GLN 34 0.577 6.033 0.564 218 HG3 GLN 34 HG3 GLN 34 -0.569 5.371 1.729 219 HE21 GLN 34 HE21 GLN 34 -0.628 6.197 3.783 220 HE22 GLN 34 HE22 GLN 34 0.411 7.456 4.318 221 H CYS 35 H CYS 35 -1.424 3.642 -0.265 222 HA CYS 35 HA CYS 35 -0.621 3.900 -3.009 223 HB2 CYS 35 HB2 CYS 35 -3.235 4.694 -1.721 224 HB3 CYS 35 HB3 CYS 35 -2.922 4.539 -3.447 225 H LEU 36 H LEU 36 0.518 5.575 -3.593 226 HA LEU 36 HA LEU 36 -0.339 8.221 -2.719 227 HB2 LEU 36 HB2 LEU 36 2.431 7.240 -3.369 228 HB3 LEU 36 HB3 LEU 36 2.015 8.926 -3.136 229 HG LEU 36 HG LEU 36 1.716 6.794 -1.026 230 HD11 LEU 36 HD11 LEU 36 3.649 7.800 0.010 231 HD12 LEU 36 HD12 LEU 36 3.792 8.949 -1.318 232 HD13 LEU 36 HD13 LEU 36 4.061 7.230 -1.607 233 HD21 LEU 36 HD21 LEU 36 0.140 8.627 -0.754 234 HD22 LEU 36 HD22 LEU 36 1.446 9.795 -0.932 235 HD23 LEU 36 HD23 LEU 36 1.407 8.723 0.468 236 H1 MAN 101 H1 MAN 101 -9.032 6.198 2.206 237 H2 MAN 101 H2 MAN 101 -7.064 5.677 3.640 238 H3 MAN 101 H3 MAN 101 -6.957 3.305 3.358 239 H4 MAN 101 H4 MAN 101 -9.554 3.223 4.954 240 H5 MAN 101 H5 MAN 101 -9.023 2.496 2.033 241 H61 MAN 101 H61 MAN 101 -10.876 1.225 3.216 242 H62 MAN 101 H62 MAN 101 -11.360 2.081 1.740 243 HO2 MAN 101 HO2 MAN 101 -8.236 5.495 5.544 244 HO3 MAN 101 HO3 MAN 101 -6.880 2.803 5.598 245 HO4 MAN 101 HO4 MAN 101 -9.285 0.962 4.553 246 HO6 MAN 101 HO6 MAN 101 -11.649 3.789 3.799 Start of MODEL 12 1 H1 THR 1 H1 THR 1 -11.548 -0.693 -5.913 2 H2 THR 1 H2 THR 1 -11.774 0.539 -4.788 3 H3 THR 1 H3 THR 1 -11.393 -1.007 -4.251 4 HA THR 1 HA THR 1 -9.240 -0.797 -5.254 5 HB THR 1 HB THR 1 -8.680 1.623 -5.916 6 HG1 THR 1 HG1 THR 1 -10.621 2.641 -6.935 7 HG21 THR 1 HG21 THR 1 -8.658 -0.226 -7.511 8 HG22 THR 1 HG22 THR 1 -9.336 1.221 -8.257 9 HG23 THR 1 HG23 THR 1 -10.403 -0.080 -7.727 10 H GLN 2 H GLN 2 -7.552 0.023 -4.000 11 HA GLN 2 HA GLN 2 -8.271 0.747 -1.351 12 HB2 GLN 2 HB2 GLN 2 -6.408 -0.785 -1.765 13 HB3 GLN 2 HB3 GLN 2 -5.573 0.435 -2.709 14 HG2 GLN 2 HG2 GLN 2 -4.638 0.261 -0.413 15 HG3 GLN 2 HG3 GLN 2 -5.338 1.822 -0.786 16 HE21 GLN 2 HE21 GLN 2 -5.680 2.320 1.066 17 HE22 GLN 2 HE22 GLN 2 -6.821 1.656 2.215 18 H SER 3 H SER 3 -7.958 2.717 -0.306 19 HA SER 3 HA SER 3 -8.229 4.940 -2.029 20 HB2 SER 3 HB2 SER 3 -8.615 6.165 0.042 21 HB3 SER 3 HB3 SER 3 -9.614 4.714 -0.044 22 H HIS 4 H HIS 4 -7.086 6.862 -1.725 23 HA HIS 4 HA HIS 4 -4.263 6.632 -1.978 24 HB2 HIS 4 HB2 HIS 4 -5.814 8.422 -2.996 25 HB3 HIS 4 HB3 HIS 4 -5.798 9.182 -1.421 26 HD1 HIS 4 HD1 HIS 4 -4.725 11.286 -2.711 27 HD2 HIS 4 HD2 HIS 4 -2.364 7.884 -2.605 28 HE1 HIS 4 HE1 HIS 4 -2.453 12.019 -3.477 29 HE2 HIS 4 HE2 HIS 4 -1.245 9.828 -3.808 30 H TYR 5 H TYR 5 -2.696 6.902 -0.434 31 HA TYR 5 HA TYR 5 -1.676 7.135 1.460 32 HB2 TYR 5 HB2 TYR 5 -4.067 8.755 2.258 33 HB3 TYR 5 HB3 TYR 5 -2.756 8.452 3.406 34 HD1 TYR 5 HD1 TYR 5 -3.847 10.345 0.506 35 HD2 TYR 5 HD2 TYR 5 -0.490 9.342 2.908 36 HE1 TYR 5 HE1 TYR 5 -2.599 12.217 -0.467 37 HE2 TYR 5 HE2 TYR 5 0.769 11.209 1.946 38 HH TYR 5 HH TYR 5 -0.718 13.635 0.081 39 H GLY 6 H GLY 6 -4.138 5.230 0.989 40 HA2 GLY 6 HA2 GLY 6 -4.280 4.027 3.639 41 HA3 GLY 6 HA3 GLY 6 -5.123 3.528 2.213 42 H GLN 7 H GLN 7 -3.780 1.731 3.861 43 HA GLN 7 HA GLN 7 -1.181 1.183 2.806 44 HB2 GLN 7 HB2 GLN 7 -1.932 0.629 5.157 45 HB3 GLN 7 HB3 GLN 7 -2.953 -0.620 4.474 46 HG2 GLN 7 HG2 GLN 7 -1.042 -1.846 3.690 47 HG3 GLN 7 HG3 GLN 7 0.042 -0.532 4.149 48 HE21 GLN 7 HE21 GLN 7 0.172 -3.274 5.024 49 HE22 GLN 7 HE22 GLN 7 -0.020 -3.262 6.726 50 H CYS 8 H CYS 8 -0.749 0.089 1.016 51 HA CYS 8 HA CYS 8 -3.029 -1.130 -0.387 52 HB2 CYS 8 HB2 CYS 8 -1.687 -0.835 -2.405 53 HB3 CYS 8 HB3 CYS 8 -2.072 0.660 -1.559 54 H GLY 9 H GLY 9 -0.777 -2.374 1.484 55 HA2 GLY 9 HA2 GLY 9 -0.908 -4.894 1.239 56 HA3 GLY 9 HA3 GLY 9 -0.466 -4.602 -0.426 57 H GLY 10 H GLY 10 0.592 -4.549 2.837 58 HA2 GLY 10 HA2 GLY 10 3.358 -4.752 1.922 59 HA3 GLY 10 HA3 GLY 10 2.828 -4.548 3.598 60 H ILE 11 H ILE 11 4.447 -6.578 3.465 61 HA ILE 11 HA ILE 11 3.250 -9.031 2.718 62 HB ILE 11 HB ILE 11 5.387 -8.537 4.825 63 HG12 ILE 11 HG12 ILE 11 5.685 -9.269 1.898 64 HG13 ILE 11 HG13 ILE 11 5.991 -7.680 2.579 65 HG21 ILE 11 HG21 ILE 11 4.341 -10.746 5.043 66 HG22 ILE 11 HG22 ILE 11 6.001 -10.896 4.469 67 HG23 ILE 11 HG23 ILE 11 4.658 -11.076 3.340 68 HD11 ILE 11 HD11 ILE 11 7.484 -10.204 3.248 69 HD12 ILE 11 HD12 ILE 11 7.812 -8.606 3.923 70 HD13 ILE 11 HD13 ILE 11 8.061 -8.905 2.200 71 H GLY 12 H GLY 12 1.417 -9.776 3.571 72 HA2 GLY 12 HA2 GLY 12 0.465 -10.876 5.502 73 HA3 GLY 12 HA3 GLY 12 1.082 -9.556 6.487 74 H TYR 13 H TYR 13 0.152 -7.804 4.092 75 HA TYR 13 HA TYR 13 -2.423 -7.224 5.313 76 HB2 TYR 13 HB2 TYR 13 -0.883 -5.370 4.709 77 HB3 TYR 13 HB3 TYR 13 -0.998 -5.841 3.024 78 HD1 TYR 13 HD1 TYR 13 -2.817 -5.015 1.652 79 HD2 TYR 13 HD2 TYR 13 -2.924 -4.448 5.876 80 HE1 TYR 13 HE1 TYR 13 -4.672 -3.429 1.390 81 HE2 TYR 13 HE2 TYR 13 -4.802 -2.869 5.606 82 HH TYR 13 HH TYR 13 -6.376 -2.441 2.538 83 H SER 14 H SER 14 -4.099 -8.373 4.713 84 HA SER 14 HA SER 14 -4.146 -9.551 2.047 85 HB2 SER 14 HB2 SER 14 -5.842 -10.127 4.470 86 HB3 SER 14 HB3 SER 14 -5.766 -11.079 2.982 87 HG SER 14 HG SER 14 -3.314 -10.636 4.011 88 H GLY 15 H GLY 15 -5.184 -6.798 3.396 89 HA2 GLY 15 HA2 GLY 15 -7.908 -6.676 2.488 90 HA3 GLY 15 HA3 GLY 15 -6.920 -5.319 3.008 91 HA PRO 16 HA PRO 16 -7.679 -4.923 -1.588 92 HB2 PRO 16 HB2 PRO 16 -7.756 -2.071 -0.741 93 HB3 PRO 16 HB3 PRO 16 -8.844 -2.942 -1.831 94 HG2 PRO 16 HG2 PRO 16 -9.630 -2.296 0.627 95 HG3 PRO 16 HG3 PRO 16 -10.060 -3.866 -0.077 96 HD2 PRO 16 HD2 PRO 16 -7.922 -3.217 1.927 97 HD3 PRO 16 HD3 PRO 16 -9.039 -4.588 1.887 98 H THR 17 H THR 17 -5.788 -5.115 -2.620 99 HA THR 17 HA THR 17 -3.530 -3.474 -1.770 100 HB THR 17 HB THR 17 -2.169 -5.144 -3.039 101 HG1 THR 17 HG1 THR 17 -3.134 -6.588 -4.155 102 HG21 THR 17 HG21 THR 17 -2.459 -5.260 -0.621 103 HG22 THR 17 HG22 THR 17 -2.340 -6.883 -1.313 104 HG23 THR 17 HG23 THR 17 -3.912 -6.234 -0.827 105 H VAL 18 H VAL 18 -5.852 -3.473 -4.061 106 HA VAL 18 HA VAL 18 -4.069 -2.417 -6.140 107 HB VAL 18 HB VAL 18 -7.021 -3.111 -6.369 108 HG11 VAL 18 HG11 VAL 18 -6.383 -1.326 -7.916 109 HG12 VAL 18 HG12 VAL 18 -6.706 -2.822 -8.790 110 HG13 VAL 18 HG13 VAL 18 -5.043 -2.306 -8.506 111 HG21 VAL 18 HG21 VAL 18 -4.596 -4.556 -7.432 112 HG22 VAL 18 HG22 VAL 18 -6.279 -5.000 -7.731 113 HG23 VAL 18 HG23 VAL 18 -5.616 -5.089 -6.095 114 H CYS 19 H CYS 19 -3.702 -0.371 -5.907 115 HA CYS 19 HA CYS 19 -5.233 1.443 -4.420 116 HB2 CYS 19 HB2 CYS 19 -3.068 1.866 -6.457 117 HB3 CYS 19 HB3 CYS 19 -3.718 3.112 -5.401 118 H ALA 20 H ALA 20 -6.370 3.249 -5.065 119 HA ALA 20 HA ALA 20 -8.128 2.994 -7.226 120 HB1 ALA 20 HB1 ALA 20 -8.629 4.303 -5.235 121 HB2 ALA 20 HB2 ALA 20 -8.772 5.289 -6.697 122 HB3 ALA 20 HB3 ALA 20 -7.357 5.450 -5.658 123 H SER 21 H SER 21 -8.247 4.025 -9.147 124 HA SER 21 HA SER 21 -6.056 4.216 -10.726 125 HB2 SER 21 HB2 SER 21 -7.695 5.576 -12.187 126 HB3 SER 21 HB3 SER 21 -8.138 3.924 -11.734 127 HG SER 21 HG SER 21 -9.826 5.439 -11.434 128 H GLY 22 H GLY 22 -4.497 5.579 -10.908 129 HA2 GLY 22 HA2 GLY 22 -3.729 7.834 -11.311 130 HA3 GLY 22 HA3 GLY 22 -4.865 8.369 -10.079 131 H THR 23 H THR 23 -4.002 5.874 -8.468 132 HA THR 23 HA THR 23 -1.619 7.188 -7.388 133 HB THR 23 HB THR 23 -2.170 6.154 -5.211 134 HG1 THR 23 HG1 THR 23 -4.392 5.079 -6.656 135 HG21 THR 23 HG21 THR 23 -4.490 7.631 -6.451 136 HG22 THR 23 HG22 THR 23 -3.067 8.365 -5.709 137 HG23 THR 23 HG23 THR 23 -4.201 7.448 -4.722 138 H THR 24 H THR 24 0.017 5.794 -6.393 139 HA THR 24 HA THR 24 0.195 3.191 -7.743 140 HB THR 24 HB THR 24 2.701 3.554 -7.563 141 HG1 THR 24 HG1 THR 24 1.786 5.973 -6.506 142 HG21 THR 24 HG21 THR 24 1.514 3.803 -9.697 143 HG22 THR 24 HG22 THR 24 2.819 4.981 -9.568 144 HG23 THR 24 HG23 THR 24 1.146 5.483 -9.307 145 H CYS 25 H CYS 25 0.883 1.449 -6.461 146 HA CYS 25 HA CYS 25 0.715 1.878 -3.633 147 HB2 CYS 25 HB2 CYS 25 -0.353 -0.083 -4.592 148 HB3 CYS 25 HB3 CYS 25 1.177 -0.639 -5.266 149 H GLN 26 H GLN 26 2.427 2.615 -2.627 150 HA GLN 26 HA GLN 26 5.031 1.830 -3.653 151 HB2 GLN 26 HB2 GLN 26 4.190 4.224 -2.053 152 HB3 GLN 26 HB3 GLN 26 5.857 3.860 -2.464 153 HG2 GLN 26 HG2 GLN 26 5.221 3.937 -4.867 154 HG3 GLN 26 HG3 GLN 26 3.597 4.404 -4.382 155 HE21 GLN 26 HE21 GLN 26 3.718 6.310 -5.468 156 HE22 GLN 26 HE22 GLN 26 4.690 7.642 -4.930 157 H VAL 27 H VAL 27 6.025 0.387 -2.599 158 HA VAL 27 HA VAL 27 5.316 -0.366 0.071 159 HB VAL 27 HB VAL 27 7.667 -1.275 -1.626 160 HG11 VAL 27 HG11 VAL 27 7.699 -3.254 -0.191 161 HG12 VAL 27 HG12 VAL 27 6.370 -2.580 0.752 162 HG13 VAL 27 HG13 VAL 27 7.935 -1.775 0.747 163 HG21 VAL 27 HG21 VAL 27 5.567 -1.719 -2.784 164 HG22 VAL 27 HG22 VAL 27 4.931 -2.526 -1.351 165 HG23 VAL 27 HG23 VAL 27 6.300 -3.221 -2.227 166 H LEU 28 H LEU 28 5.839 1.033 1.540 167 HA LEU 28 HA LEU 28 8.219 2.697 1.336 168 HB2 LEU 28 HB2 LEU 28 6.009 2.629 3.388 169 HB3 LEU 28 HB3 LEU 28 7.281 3.834 3.307 170 HG LEU 28 HG LEU 28 5.174 3.399 1.175 171 HD11 LEU 28 HD11 LEU 28 4.288 5.533 1.900 172 HD12 LEU 28 HD12 LEU 28 5.460 5.589 3.217 173 HD13 LEU 28 HD13 LEU 28 4.207 4.339 3.193 174 HD21 LEU 28 HD21 LEU 28 7.264 5.494 1.526 175 HD22 LEU 28 HD22 LEU 28 6.015 5.498 0.273 176 HD23 LEU 28 HD23 LEU 28 7.267 4.241 0.279 177 H ASN 29 H ASN 29 6.856 0.184 3.314 178 HA ASN 29 HA ASN 29 9.488 -0.424 4.438 179 HB2 ASN 29 HB2 ASN 29 6.847 -0.641 5.967 180 HB3 ASN 29 HB3 ASN 29 8.422 -1.100 6.548 181 HD21 ASN 29 HD21 ASN 29 7.694 1.984 4.988 182 HD22 ASN 29 HD22 ASN 29 7.936 2.970 6.381 183 HA PRO 30 HA PRO 30 8.335 -4.429 2.823 184 HB2 PRO 30 HB2 PRO 30 8.651 -5.638 5.530 185 HB3 PRO 30 HB3 PRO 30 9.375 -6.131 3.995 186 HG2 PRO 30 HG2 PRO 30 10.861 -4.877 5.753 187 HG3 PRO 30 HG3 PRO 30 10.954 -4.417 4.042 188 HD2 PRO 30 HD2 PRO 30 9.511 -3.040 6.284 189 HD3 PRO 30 HD3 PRO 30 10.504 -2.321 5.002 190 H TYR 31 H TYR 31 6.749 -3.497 5.824 191 HA TYR 31 HA TYR 31 4.468 -5.170 5.014 192 HB2 TYR 31 HB2 TYR 31 4.946 -3.969 7.755 193 HB3 TYR 31 HB3 TYR 31 3.745 -5.169 7.308 194 HD1 TYR 31 HD1 TYR 31 7.280 -4.606 8.069 195 HD2 TYR 31 HD2 TYR 31 4.390 -7.491 6.917 196 HE1 TYR 31 HE1 TYR 31 8.872 -6.395 8.601 197 HE2 TYR 31 HE2 TYR 31 5.971 -9.293 7.452 198 HH TYR 31 HH TYR 31 8.853 -8.701 9.169 199 H TYR 32 H TYR 32 5.538 -1.938 5.629 200 HA TYR 32 HA TYR 32 2.828 -0.926 5.410 201 HB2 TYR 32 HB2 TYR 32 4.310 0.048 7.140 202 HB3 TYR 32 HB3 TYR 32 5.385 0.617 5.867 203 HD1 TYR 32 HD1 TYR 32 1.727 0.713 6.510 204 HD2 TYR 32 HD2 TYR 32 5.234 2.902 5.461 205 HE1 TYR 32 HE1 TYR 32 0.412 2.749 6.392 206 HE2 TYR 32 HE2 TYR 32 3.941 4.941 5.343 207 HH TYR 32 HH TYR 32 1.697 5.741 5.160 208 H SER 33 H SER 33 2.050 -0.621 3.486 209 HA SER 33 HA SER 33 3.744 0.583 1.429 210 HB2 SER 33 HB2 SER 33 1.588 -1.509 0.962 211 HB3 SER 33 HB3 SER 33 2.648 -0.798 -0.252 212 HG SER 33 HG SER 33 3.223 -2.943 0.595 213 H GLN 34 H GLN 34 2.645 2.219 0.313 214 HA GLN 34 HA GLN 34 -0.084 2.741 1.216 215 HB2 GLN 34 HB2 GLN 34 1.200 4.035 2.723 216 HB3 GLN 34 HB3 GLN 34 2.289 4.564 1.451 217 HG2 GLN 34 HG2 GLN 34 0.586 5.982 0.520 218 HG3 GLN 34 HG3 GLN 34 -0.599 5.346 1.660 219 HE21 GLN 34 HE21 GLN 34 -0.678 6.129 3.667 220 HE22 GLN 34 HE22 GLN 34 0.262 7.430 4.260 221 H CYS 35 H CYS 35 -1.404 3.543 -0.302 222 HA CYS 35 HA CYS 35 -0.489 3.762 -3.004 223 HB2 CYS 35 HB2 CYS 35 -3.131 4.643 -1.827 224 HB3 CYS 35 HB3 CYS 35 -2.737 4.491 -3.538 225 H LEU 36 H LEU 36 0.555 5.417 -3.752 226 HA LEU 36 HA LEU 36 -0.075 8.070 -2.742 227 HB2 LEU 36 HB2 LEU 36 2.617 6.907 -3.404 228 HB3 LEU 36 HB3 LEU 36 2.336 8.626 -3.202 229 HG LEU 36 HG LEU 36 1.877 6.542 -1.071 230 HD11 LEU 36 HD11 LEU 36 4.064 8.588 -1.345 231 HD12 LEU 36 HD12 LEU 36 4.251 6.848 -1.565 232 HD13 LEU 36 HD13 LEU 36 3.826 7.497 0.019 233 HD21 LEU 36 HD21 LEU 36 1.710 9.546 -1.028 234 HD22 LEU 36 HD22 LEU 36 1.636 8.500 0.392 235 HD23 LEU 36 HD23 LEU 36 0.374 8.406 -0.833 236 H1 MAN 101 H1 MAN 101 -8.935 6.212 2.241 237 H2 MAN 101 H2 MAN 101 -6.894 5.398 3.443 238 H3 MAN 101 H3 MAN 101 -7.261 3.001 3.367 239 H4 MAN 101 H4 MAN 101 -9.691 3.635 5.063 240 H5 MAN 101 H5 MAN 101 -9.378 2.544 2.227 241 H61 MAN 101 H61 MAN 101 -11.242 1.492 3.423 242 H62 MAN 101 H62 MAN 101 -11.802 2.520 2.091 243 HO2 MAN 101 HO2 MAN 101 -8.510 6.705 4.415 244 HO3 MAN 101 HO3 MAN 101 -7.638 4.074 5.983 245 HO4 MAN 101 HO4 MAN 101 -8.539 1.721 5.569 246 HO6 MAN 101 HO6 MAN 101 -12.042 2.799 4.883 Start of MODEL 13 1 H1 THR 1 H1 THR 1 -11.898 0.764 -4.817 2 H2 THR 1 H2 THR 1 -11.725 -0.779 -4.190 3 H3 THR 1 H3 THR 1 -11.779 -0.549 -5.883 4 HA THR 1 HA THR 1 -9.513 -0.877 -5.158 5 HB THR 1 HB THR 1 -8.677 1.497 -5.772 6 HG1 THR 1 HG1 THR 1 -10.537 2.635 -6.877 7 HG21 THR 1 HG21 THR 1 -9.248 1.178 -8.136 8 HG22 THR 1 HG22 THR 1 -10.509 0.036 -7.691 9 HG23 THR 1 HG23 THR 1 -8.815 -0.361 -7.394 10 H GLN 2 H GLN 2 -7.695 0.068 -3.957 11 HA GLN 2 HA GLN 2 -8.450 0.719 -1.279 12 HB2 GLN 2 HB2 GLN 2 -6.576 -0.826 -1.731 13 HB3 GLN 2 HB3 GLN 2 -5.710 0.447 -2.565 14 HG2 GLN 2 HG2 GLN 2 -4.895 0.080 -0.303 15 HG3 GLN 2 HG3 GLN 2 -5.524 1.710 -0.545 16 HE21 GLN 2 HE21 GLN 2 -6.106 2.168 1.402 17 HE22 GLN 2 HE22 GLN 2 -7.323 1.314 2.327 18 H SER 3 H SER 3 -8.055 2.647 -0.178 19 HA SER 3 HA SER 3 -8.391 4.954 -1.759 20 HB2 SER 3 HB2 SER 3 -8.567 6.122 0.354 21 HB3 SER 3 HB3 SER 3 -9.575 4.683 0.379 22 H HIS 4 H HIS 4 -7.324 6.851 -1.225 23 HA HIS 4 HA HIS 4 -4.505 6.719 -1.849 24 HB2 HIS 4 HB2 HIS 4 -6.148 8.451 -2.753 25 HB3 HIS 4 HB3 HIS 4 -6.168 9.158 -1.158 26 HD1 HIS 4 HD1 HIS 4 -5.177 11.391 -1.957 27 HD2 HIS 4 HD2 HIS 4 -2.762 8.131 -2.809 28 HE1 HIS 4 HE1 HIS 4 -3.021 12.352 -2.773 29 HE2 HIS 4 HE2 HIS 4 -1.826 10.351 -3.687 30 H TYR 5 H TYR 5 -2.872 6.990 -0.382 31 HA TYR 5 HA TYR 5 -1.766 7.211 1.521 32 HB2 TYR 5 HB2 TYR 5 -4.245 8.593 2.490 33 HB3 TYR 5 HB3 TYR 5 -2.804 8.448 3.518 34 HD1 TYR 5 HD1 TYR 5 -0.606 9.352 2.238 35 HD2 TYR 5 HD2 TYR 5 -4.590 10.540 1.366 36 HE1 TYR 5 HE1 TYR 5 0.237 11.410 1.196 37 HE2 TYR 5 HE2 TYR 5 -3.759 12.599 0.330 38 HH TYR 5 HH TYR 5 -0.553 12.973 -0.532 39 H GLY 6 H GLY 6 -4.031 5.156 0.929 40 HA2 GLY 6 HA2 GLY 6 -4.221 3.934 3.564 41 HA3 GLY 6 HA3 GLY 6 -5.034 3.423 2.087 42 H GLN 7 H GLN 7 -3.815 1.534 3.601 43 HA GLN 7 HA GLN 7 -1.126 1.070 2.670 44 HB2 GLN 7 HB2 GLN 7 -1.969 0.497 4.973 45 HB3 GLN 7 HB3 GLN 7 -2.947 -0.766 4.244 46 HG2 GLN 7 HG2 GLN 7 -0.968 -1.912 3.506 47 HG3 GLN 7 HG3 GLN 7 0.077 -0.636 4.112 48 HE21 GLN 7 HE21 GLN 7 0.264 -3.330 4.915 49 HE22 GLN 7 HE22 GLN 7 -0.173 -3.399 6.579 50 H CYS 8 H CYS 8 -0.569 -0.324 1.016 51 HA CYS 8 HA CYS 8 -2.873 -1.533 -0.393 52 HB2 CYS 8 HB2 CYS 8 -1.695 -1.023 -2.477 53 HB3 CYS 8 HB3 CYS 8 -2.195 0.390 -1.554 54 H GLY 9 H GLY 9 -0.225 -2.657 1.223 55 HA2 GLY 9 HA2 GLY 9 -0.449 -5.230 0.451 56 HA3 GLY 9 HA3 GLY 9 0.435 -4.561 -0.898 57 H GLY 10 H GLY 10 0.558 -4.728 2.614 58 HA2 GLY 10 HA2 GLY 10 3.465 -4.984 2.401 59 HA3 GLY 10 HA3 GLY 10 2.575 -4.631 3.885 60 H ILE 11 H ILE 11 4.367 -6.667 3.933 61 HA ILE 11 HA ILE 11 3.401 -9.226 3.328 62 HB ILE 11 HB ILE 11 5.025 -8.476 5.773 63 HG12 ILE 11 HG12 ILE 11 6.033 -9.267 3.031 64 HG13 ILE 11 HG13 ILE 11 6.052 -7.633 3.684 65 HG21 ILE 11 HG21 ILE 11 4.129 -10.734 5.885 66 HG22 ILE 11 HG22 ILE 11 5.877 -10.781 5.642 67 HG23 ILE 11 HG23 ILE 11 4.793 -11.096 4.289 68 HD11 ILE 11 HD11 ILE 11 7.509 -9.999 4.809 69 HD12 ILE 11 HD12 ILE 11 7.515 -8.369 5.478 70 HD13 ILE 11 HD13 ILE 11 8.230 -8.671 3.893 71 H GLY 12 H GLY 12 1.427 -9.950 3.916 72 HA2 GLY 12 HA2 GLY 12 0.170 -10.988 5.642 73 HA3 GLY 12 HA3 GLY 12 0.779 -9.768 6.748 74 H TYR 13 H TYR 13 0.030 -8.080 4.060 75 HA TYR 13 HA TYR 13 -2.400 -7.179 5.318 76 HB2 TYR 13 HB2 TYR 13 -0.810 -5.492 4.509 77 HB3 TYR 13 HB3 TYR 13 -0.970 -6.110 2.872 78 HD1 TYR 13 HD1 TYR 13 -3.204 -4.863 5.612 79 HD2 TYR 13 HD2 TYR 13 -2.311 -4.870 1.454 80 HE1 TYR 13 HE1 TYR 13 -5.036 -3.266 5.220 81 HE2 TYR 13 HE2 TYR 13 -4.135 -3.288 1.047 82 HH TYR 13 HH TYR 13 -5.971 -2.311 1.951 83 H SER 14 H SER 14 -4.186 -8.223 4.949 84 HA SER 14 HA SER 14 -4.640 -9.608 2.431 85 HB2 SER 14 HB2 SER 14 -6.176 -9.595 5.026 86 HB3 SER 14 HB3 SER 14 -6.547 -10.612 3.632 87 HG SER 14 HG SER 14 -3.977 -10.871 4.188 88 H GLY 15 H GLY 15 -5.029 -6.580 3.307 89 HA2 GLY 15 HA2 GLY 15 -7.781 -6.114 2.569 90 HA3 GLY 15 HA3 GLY 15 -6.554 -4.888 2.863 91 HA PRO 16 HA PRO 16 -7.432 -5.264 -1.716 92 HB2 PRO 16 HB2 PRO 16 -7.821 -2.338 -1.448 93 HB3 PRO 16 HB3 PRO 16 -8.828 -3.524 -2.284 94 HG2 PRO 16 HG2 PRO 16 -9.627 -2.428 0.007 95 HG3 PRO 16 HG3 PRO 16 -9.942 -4.138 -0.337 96 HD2 PRO 16 HD2 PRO 16 -7.789 -2.920 1.362 97 HD3 PRO 16 HD3 PRO 16 -8.822 -4.318 1.716 98 H THR 17 H THR 17 -5.626 -5.251 -2.880 99 HA THR 17 HA THR 17 -3.404 -3.590 -2.002 100 HB THR 17 HB THR 17 -2.054 -5.142 -3.405 101 HG1 THR 17 HG1 THR 17 -3.007 -6.407 -4.675 102 HG21 THR 17 HG21 THR 17 -2.250 -7.079 -1.895 103 HG22 THR 17 HG22 THR 17 -3.796 -6.458 -1.311 104 HG23 THR 17 HG23 THR 17 -2.313 -5.555 -1.009 105 H VAL 18 H VAL 18 -5.790 -3.595 -4.246 106 HA VAL 18 HA VAL 18 -4.204 -2.281 -6.330 107 HB VAL 18 HB VAL 18 -7.122 -3.128 -6.409 108 HG11 VAL 18 HG11 VAL 18 -6.649 -1.245 -7.898 109 HG12 VAL 18 HG12 VAL 18 -6.976 -2.709 -8.821 110 HG13 VAL 18 HG13 VAL 18 -5.316 -2.142 -8.627 111 HG21 VAL 18 HG21 VAL 18 -5.624 -5.061 -6.314 112 HG22 VAL 18 HG22 VAL 18 -4.707 -4.422 -7.679 113 HG23 VAL 18 HG23 VAL 18 -6.384 -4.926 -7.900 114 H CYS 19 H CYS 19 -3.956 -0.198 -5.984 115 HA CYS 19 HA CYS 19 -5.687 1.332 -4.323 116 HB2 CYS 19 HB2 CYS 19 -3.453 2.203 -6.150 117 HB3 CYS 19 HB3 CYS 19 -4.169 3.122 -4.836 118 H ALA 20 H ALA 20 -6.769 3.246 -5.030 119 HA ALA 20 HA ALA 20 -8.238 3.078 -7.413 120 HB1 ALA 20 HB1 ALA 20 -8.947 4.479 -5.534 121 HB2 ALA 20 HB2 ALA 20 -8.767 5.464 -6.988 122 HB3 ALA 20 HB3 ALA 20 -7.525 5.501 -5.740 123 H SER 21 H SER 21 -7.559 3.378 -9.455 124 HA SER 21 HA SER 21 -4.912 3.781 -10.043 125 HB2 SER 21 HB2 SER 21 -7.298 4.168 -11.837 126 HB3 SER 21 HB3 SER 21 -5.631 3.924 -12.381 127 HG SER 21 HG SER 21 -5.907 1.993 -10.811 128 H GLY 22 H GLY 22 -3.696 5.411 -10.698 129 HA2 GLY 22 HA2 GLY 22 -3.374 7.722 -11.261 130 HA3 GLY 22 HA3 GLY 22 -4.797 8.100 -10.277 131 H THR 23 H THR 23 -3.916 5.973 -8.314 132 HA THR 23 HA THR 23 -1.734 7.486 -7.108 133 HB THR 23 HB THR 23 -2.384 6.513 -4.957 134 HG1 THR 23 HG1 THR 23 -4.496 5.223 -6.374 135 HG21 THR 23 HG21 THR 23 -4.794 7.578 -6.421 136 HG22 THR 23 HG22 THR 23 -3.556 8.541 -5.612 137 HG23 THR 23 HG23 THR 23 -4.616 7.491 -4.669 138 H THR 24 H THR 24 0.043 6.298 -6.352 139 HA THR 24 HA THR 24 0.281 3.705 -7.693 140 HB THR 24 HB THR 24 2.775 4.106 -7.490 141 HG1 THR 24 HG1 THR 24 1.799 6.418 -6.285 142 HG21 THR 24 HG21 THR 24 1.580 4.499 -9.593 143 HG22 THR 24 HG22 THR 24 2.862 5.694 -9.370 144 HG23 THR 24 HG23 THR 24 1.182 6.135 -9.067 145 H CYS 25 H CYS 25 0.617 1.930 -6.499 146 HA CYS 25 HA CYS 25 0.659 2.152 -3.652 147 HB2 CYS 25 HB2 CYS 25 -0.515 0.279 -4.647 148 HB3 CYS 25 HB3 CYS 25 0.946 -0.244 -5.485 149 H GLN 26 H GLN 26 2.419 2.854 -2.740 150 HA GLN 26 HA GLN 26 4.978 2.082 -3.887 151 HB2 GLN 26 HB2 GLN 26 4.242 4.362 -2.063 152 HB3 GLN 26 HB3 GLN 26 5.864 4.044 -2.648 153 HG2 GLN 26 HG2 GLN 26 5.014 4.341 -4.973 154 HG3 GLN 26 HG3 GLN 26 3.447 4.763 -4.300 155 HE21 GLN 26 HE21 GLN 26 3.500 6.781 -5.209 156 HE22 GLN 26 HE22 GLN 26 4.509 8.055 -4.598 157 H VAL 27 H VAL 27 5.897 0.485 -2.923 158 HA VAL 27 HA VAL 27 5.300 -0.318 -0.247 159 HB VAL 27 HB VAL 27 7.610 -1.207 -2.020 160 HG11 VAL 27 HG11 VAL 27 6.381 -2.533 0.401 161 HG12 VAL 27 HG12 VAL 27 7.938 -1.724 0.349 162 HG13 VAL 27 HG13 VAL 27 7.682 -3.199 -0.591 163 HG21 VAL 27 HG21 VAL 27 6.211 -3.144 -2.596 164 HG22 VAL 27 HG22 VAL 27 5.460 -1.631 -3.108 165 HG23 VAL 27 HG23 VAL 27 4.883 -2.457 -1.662 166 H LEU 28 H LEU 28 5.904 0.939 1.303 167 HA LEU 28 HA LEU 28 8.266 2.631 1.073 168 HB2 LEU 28 HB2 LEU 28 6.103 2.512 3.177 169 HB3 LEU 28 HB3 LEU 28 7.373 3.717 3.091 170 HG LEU 28 HG LEU 28 5.225 3.337 0.994 171 HD11 LEU 28 HD11 LEU 28 5.516 5.449 3.121 172 HD12 LEU 28 HD12 LEU 28 4.271 4.193 3.054 173 HD13 LEU 28 HD13 LEU 28 4.332 5.444 1.813 174 HD21 LEU 28 HD21 LEU 28 6.026 5.487 0.173 175 HD22 LEU 28 HD22 LEU 28 7.266 4.223 0.090 176 HD23 LEU 28 HD23 LEU 28 7.306 5.432 1.391 177 H ASN 29 H ASN 29 6.878 0.162 3.140 178 HA ASN 29 HA ASN 29 9.529 -0.469 4.226 179 HB2 ASN 29 HB2 ASN 29 6.902 -0.591 5.776 180 HB3 ASN 29 HB3 ASN 29 8.467 -1.062 6.375 181 HD21 ASN 29 HD21 ASN 29 7.618 1.940 4.725 182 HD22 ASN 29 HD22 ASN 29 7.941 2.986 6.065 183 HA PRO 30 HA PRO 30 8.316 -4.560 2.897 184 HB2 PRO 30 HB2 PRO 30 8.603 -5.645 5.647 185 HB3 PRO 30 HB3 PRO 30 9.370 -6.179 4.147 186 HG2 PRO 30 HG2 PRO 30 10.790 -4.843 5.931 187 HG3 PRO 30 HG3 PRO 30 10.966 -4.482 4.204 188 HD2 PRO 30 HD2 PRO 30 9.437 -2.983 6.302 189 HD3 PRO 30 HD3 PRO 30 10.488 -2.350 5.016 190 H TYR 31 H TYR 31 6.733 -3.456 5.868 191 HA TYR 31 HA TYR 31 4.444 -5.154 5.108 192 HB2 TYR 31 HB2 TYR 31 4.872 -3.816 7.789 193 HB3 TYR 31 HB3 TYR 31 3.686 -5.039 7.381 194 HD1 TYR 31 HD1 TYR 31 7.259 -4.439 8.053 195 HD2 TYR 31 HD2 TYR 31 4.271 -7.358 7.329 196 HE1 TYR 31 HE1 TYR 31 8.823 -6.189 8.759 197 HE2 TYR 31 HE2 TYR 31 5.826 -9.120 8.026 198 HH TYR 31 HH TYR 31 8.673 -8.502 9.677 199 H TYR 32 H TYR 32 5.525 -1.919 5.641 200 HA TYR 32 HA TYR 32 2.831 -0.894 5.316 201 HB2 TYR 32 HB2 TYR 32 4.311 0.084 7.064 202 HB3 TYR 32 HB3 TYR 32 5.369 0.650 5.780 203 HD1 TYR 32 HD1 TYR 32 5.196 2.904 5.320 204 HD2 TYR 32 HD2 TYR 32 1.709 0.721 6.454 205 HE1 TYR 32 HE1 TYR 32 3.901 4.929 5.168 206 HE2 TYR 32 HE2 TYR 32 0.371 2.762 6.287 207 HH TYR 32 HH TYR 32 1.609 5.674 4.920 208 H SER 33 H SER 33 2.092 -0.600 3.364 209 HA SER 33 HA SER 33 3.826 0.610 1.331 210 HB2 SER 33 HB2 SER 33 1.701 -1.514 0.810 211 HB3 SER 33 HB3 SER 33 2.802 -0.810 -0.375 212 HG SER 33 HG SER 33 3.522 -2.892 0.382 213 H GLN 34 H GLN 34 2.725 2.305 0.254 214 HA GLN 34 HA GLN 34 -0.035 2.735 1.131 215 HB2 GLN 34 HB2 GLN 34 1.214 4.028 2.679 216 HB3 GLN 34 HB3 GLN 34 2.263 4.656 1.421 217 HG2 GLN 34 HG2 GLN 34 0.472 6.012 0.546 218 HG3 GLN 34 HG3 GLN 34 -0.665 5.279 1.670 219 HE21 GLN 34 HE21 GLN 34 -0.765 6.005 3.735 220 HE22 GLN 34 HE22 GLN 34 0.147 7.346 4.309 221 H CYS 35 H CYS 35 -1.381 3.615 -0.289 222 HA CYS 35 HA CYS 35 -0.575 3.893 -3.043 223 HB2 CYS 35 HB2 CYS 35 -3.212 4.677 -1.807 224 HB3 CYS 35 HB3 CYS 35 -2.867 4.360 -3.502 225 H LEU 36 H LEU 36 0.522 5.640 -3.596 226 HA LEU 36 HA LEU 36 -0.369 8.254 -2.626 227 HB2 LEU 36 HB2 LEU 36 2.405 7.323 -3.346 228 HB3 LEU 36 HB3 LEU 36 1.983 8.993 -3.029 229 HG LEU 36 HG LEU 36 1.730 6.754 -1.026 230 HD11 LEU 36 HD11 LEU 36 3.613 7.817 0.088 231 HD12 LEU 36 HD12 LEU 36 3.773 8.965 -1.245 232 HD13 LEU 36 HD13 LEU 36 4.068 7.246 -1.516 233 HD21 LEU 36 HD21 LEU 36 1.408 9.733 -0.752 234 HD22 LEU 36 HD22 LEU 36 1.348 8.554 0.555 235 HD23 LEU 36 HD23 LEU 36 0.109 8.540 -0.691 236 H1 MAN 101 H1 MAN 101 -8.756 6.067 2.719 237 H2 MAN 101 H2 MAN 101 -6.746 5.178 3.939 238 H3 MAN 101 H3 MAN 101 -6.922 2.924 2.991 239 H4 MAN 101 H4 MAN 101 -9.226 2.606 4.947 240 H5 MAN 101 H5 MAN 101 -9.246 2.470 1.880 241 H61 MAN 101 H61 MAN 101 -11.023 1.217 3.133 242 H62 MAN 101 H62 MAN 101 -11.649 2.477 2.043 243 HO2 MAN 101 HO2 MAN 101 -8.586 5.874 5.172 244 HO3 MAN 101 HO3 MAN 101 -6.602 1.789 5.000 245 HO4 MAN 101 HO4 MAN 101 -9.222 0.473 3.956 246 HO6 MAN 101 HO6 MAN 101 -11.410 3.846 4.088 Start of MODEL 14 1 H1 THR 1 H1 THR 1 -10.906 -1.370 -5.981 2 H2 THR 1 H2 THR 1 -11.455 -0.323 -4.771 3 H3 THR 1 H3 THR 1 -10.716 -1.770 -4.336 4 HA THR 1 HA THR 1 -8.665 -0.960 -5.359 5 HB THR 1 HB THR 1 -8.621 1.559 -5.654 6 HG1 THR 1 HG1 THR 1 -10.546 2.239 -4.802 7 HG21 THR 1 HG21 THR 1 -8.563 0.007 -7.574 8 HG22 THR 1 HG22 THR 1 -9.454 1.485 -7.949 9 HG23 THR 1 HG23 THR 1 -10.330 0.002 -7.601 10 H GLN 2 H GLN 2 -7.197 0.281 -4.062 11 HA GLN 2 HA GLN 2 -8.090 0.657 -1.327 12 HB2 GLN 2 HB2 GLN 2 -6.103 -0.788 -1.883 13 HB3 GLN 2 HB3 GLN 2 -5.310 0.633 -2.512 14 HG2 GLN 2 HG2 GLN 2 -4.614 -0.095 -0.208 15 HG3 GLN 2 HG3 GLN 2 -5.089 1.593 -0.370 16 HE21 GLN 2 HE21 GLN 2 -6.682 2.320 0.798 17 HE22 GLN 2 HE22 GLN 2 -7.636 1.379 1.915 18 H SER 3 H SER 3 -8.150 2.610 -0.429 19 HA SER 3 HA SER 3 -8.275 4.879 -2.043 20 HB2 SER 3 HB2 SER 3 -8.764 6.029 0.090 21 HB3 SER 3 HB3 SER 3 -9.702 4.545 -0.099 22 H HIS 4 H HIS 4 -7.168 6.809 -1.705 23 HA HIS 4 HA HIS 4 -4.342 6.658 -1.898 24 HB2 HIS 4 HB2 HIS 4 -5.867 8.413 -2.939 25 HB3 HIS 4 HB3 HIS 4 -6.054 9.095 -1.339 26 HD1 HIS 4 HD1 HIS 4 -5.046 11.346 -2.182 27 HD2 HIS 4 HD2 HIS 4 -2.481 8.107 -2.503 28 HE1 HIS 4 HE1 HIS 4 -2.812 12.322 -2.689 29 HE2 HIS 4 HE2 HIS 4 -1.421 10.323 -3.281 30 H TYR 5 H TYR 5 -2.814 6.869 -0.309 31 HA TYR 5 HA TYR 5 -1.845 7.043 1.651 32 HB2 TYR 5 HB2 TYR 5 -4.286 8.594 2.372 33 HB3 TYR 5 HB3 TYR 5 -3.107 8.196 3.623 34 HD1 TYR 5 HD1 TYR 5 -0.787 9.009 3.356 35 HD2 TYR 5 HD2 TYR 5 -3.914 10.393 0.848 36 HE1 TYR 5 HE1 TYR 5 0.584 10.930 2.740 37 HE2 TYR 5 HE2 TYR 5 -2.541 12.338 0.216 38 HH TYR 5 HH TYR 5 0.815 12.541 1.117 39 H GLY 6 H GLY 6 -4.186 5.102 0.953 40 HA2 GLY 6 HA2 GLY 6 -4.472 3.798 3.525 41 HA3 GLY 6 HA3 GLY 6 -5.154 3.289 1.984 42 H GLN 7 H GLN 7 -3.684 1.678 3.868 43 HA GLN 7 HA GLN 7 -1.078 1.181 2.837 44 HB2 GLN 7 HB2 GLN 7 -1.889 0.583 5.145 45 HB3 GLN 7 HB3 GLN 7 -2.893 -0.658 4.417 46 HG2 GLN 7 HG2 GLN 7 -0.893 -1.791 3.599 47 HG3 GLN 7 HG3 GLN 7 0.121 -0.548 4.328 48 HE21 GLN 7 HE21 GLN 7 0.165 -3.342 4.933 49 HE22 GLN 7 HE22 GLN 7 -0.319 -3.527 6.574 50 H CYS 8 H CYS 8 -0.618 0.077 1.012 51 HA CYS 8 HA CYS 8 -2.894 -1.166 -0.378 52 HB2 CYS 8 HB2 CYS 8 -1.592 -0.818 -2.415 53 HB3 CYS 8 HB3 CYS 8 -1.981 0.661 -1.545 54 H GLY 9 H GLY 9 -0.702 -2.441 1.484 55 HA2 GLY 9 HA2 GLY 9 -0.861 -4.963 1.149 56 HA3 GLY 9 HA3 GLY 9 -0.329 -4.610 -0.480 57 H GLY 10 H GLY 10 0.585 -4.460 2.848 58 HA2 GLY 10 HA2 GLY 10 3.365 -4.830 2.029 59 HA3 GLY 10 HA3 GLY 10 2.815 -4.436 3.670 60 H ILE 11 H ILE 11 4.401 -6.562 3.621 61 HA ILE 11 HA ILE 11 3.065 -8.995 3.154 62 HB ILE 11 HB ILE 11 5.297 -8.386 5.125 63 HG12 ILE 11 HG12 ILE 11 5.416 -9.520 2.318 64 HG13 ILE 11 HG13 ILE 11 5.864 -7.881 2.777 65 HG21 ILE 11 HG21 ILE 11 5.768 -10.796 5.072 66 HG22 ILE 11 HG22 ILE 11 4.346 -11.048 4.062 67 HG23 ILE 11 HG23 ILE 11 4.160 -10.456 5.713 68 HD11 ILE 11 HD11 ILE 11 7.215 -10.400 3.716 69 HD12 ILE 11 HD12 ILE 11 7.677 -8.752 4.147 70 HD13 ILE 11 HD13 ILE 11 7.812 -9.298 2.474 71 H GLY 12 H GLY 12 1.253 -9.611 4.096 72 HA2 GLY 12 HA2 GLY 12 0.277 -10.455 6.163 73 HA3 GLY 12 HA3 GLY 12 0.895 -9.023 6.957 74 H TYR 13 H TYR 13 -0.094 -7.830 4.122 75 HA TYR 13 HA TYR 13 -2.653 -7.052 5.326 76 HB2 TYR 13 HB2 TYR 13 -1.053 -5.257 4.629 77 HB3 TYR 13 HB3 TYR 13 -1.231 -5.802 2.970 78 HD1 TYR 13 HD1 TYR 13 -3.349 -4.693 5.837 79 HD2 TYR 13 HD2 TYR 13 -2.778 -4.630 1.621 80 HE1 TYR 13 HE1 TYR 13 -5.241 -3.139 5.605 81 HE2 TYR 13 HE2 TYR 13 -4.684 -3.065 1.394 82 HH TYR 13 HH TYR 13 -6.339 -2.052 2.432 83 H SER 14 H SER 14 -4.286 -8.301 4.768 84 HA SER 14 HA SER 14 -4.398 -9.451 2.095 85 HB2 SER 14 HB2 SER 14 -6.058 -9.992 4.551 86 HB3 SER 14 HB3 SER 14 -6.011 -10.965 3.080 87 HG SER 14 HG SER 14 -4.648 -11.472 5.066 88 H GLY 15 H GLY 15 -5.088 -6.617 2.985 89 HA2 GLY 15 HA2 GLY 15 -7.929 -6.479 2.299 90 HA3 GLY 15 HA3 GLY 15 -6.940 -5.133 2.869 91 HA PRO 16 HA PRO 16 -7.559 -4.689 -1.751 92 HB2 PRO 16 HB2 PRO 16 -7.513 -1.848 -0.859 93 HB3 PRO 16 HB3 PRO 16 -8.591 -2.637 -2.017 94 HG2 PRO 16 HG2 PRO 16 -9.450 -1.997 0.405 95 HG3 PRO 16 HG3 PRO 16 -9.933 -3.532 -0.343 96 HD2 PRO 16 HD2 PRO 16 -7.878 -3.019 1.780 97 HD3 PRO 16 HD3 PRO 16 -9.053 -4.345 1.639 98 H THR 17 H THR 17 -5.659 -5.024 -2.692 99 HA THR 17 HA THR 17 -3.328 -3.547 -1.806 100 HB THR 17 HB THR 17 -2.169 -5.406 -3.149 101 HG1 THR 17 HG1 THR 17 -3.428 -7.245 -3.431 102 HG21 THR 17 HG21 THR 17 -2.319 -6.951 -1.249 103 HG22 THR 17 HG22 THR 17 -3.791 -6.135 -0.708 104 HG23 THR 17 HG23 THR 17 -2.256 -5.275 -0.686 105 H VAL 18 H VAL 18 -5.598 -3.381 -4.105 106 HA VAL 18 HA VAL 18 -3.757 -2.367 -6.179 107 HB VAL 18 HB VAL 18 -6.684 -3.152 -6.479 108 HG11 VAL 18 HG11 VAL 18 -6.081 -1.366 -8.028 109 HG12 VAL 18 HG12 VAL 18 -6.321 -2.885 -8.894 110 HG13 VAL 18 HG13 VAL 18 -4.689 -2.298 -8.579 111 HG21 VAL 18 HG21 VAL 18 -5.237 -5.099 -6.161 112 HG22 VAL 18 HG22 VAL 18 -4.192 -4.547 -7.465 113 HG23 VAL 18 HG23 VAL 18 -5.851 -5.035 -7.811 114 H CYS 19 H CYS 19 -3.509 -0.224 -6.103 115 HA CYS 19 HA CYS 19 -5.188 1.436 -4.554 116 HB2 CYS 19 HB2 CYS 19 -2.964 2.089 -6.471 117 HB3 CYS 19 HB3 CYS 19 -3.709 3.209 -5.338 118 H ALA 20 H ALA 20 -6.301 3.305 -5.266 119 HA ALA 20 HA ALA 20 -8.048 2.894 -7.438 120 HB1 ALA 20 HB1 ALA 20 -7.482 5.426 -5.888 121 HB2 ALA 20 HB2 ALA 20 -8.668 4.195 -5.455 122 HB3 ALA 20 HB3 ALA 20 -8.878 5.140 -6.928 123 H SER 21 H SER 21 -8.280 4.175 -9.342 124 HA SER 21 HA SER 21 -6.024 4.362 -10.915 125 HB2 SER 21 HB2 SER 21 -8.621 5.875 -11.252 126 HB3 SER 21 HB3 SER 21 -7.486 5.425 -12.529 127 HG SER 21 HG SER 21 -7.882 3.196 -11.672 128 H GLY 22 H GLY 22 -4.380 5.746 -10.858 129 HA2 GLY 22 HA2 GLY 22 -3.605 8.009 -11.149 130 HA3 GLY 22 HA3 GLY 22 -4.870 8.534 -10.048 131 H THR 23 H THR 23 -4.160 6.041 -8.381 132 HA THR 23 HA THR 23 -1.880 7.312 -7.057 133 HB THR 23 HB THR 23 -2.607 6.180 -4.990 134 HG1 THR 23 HG1 THR 23 -4.543 5.108 -6.724 135 HG21 THR 23 HG21 THR 23 -3.352 8.463 -5.406 136 HG22 THR 23 HG22 THR 23 -4.606 7.559 -4.558 137 HG23 THR 23 HG23 THR 23 -4.753 7.860 -6.289 138 H THR 24 H THR 24 -0.159 6.049 -6.376 139 HA THR 24 HA THR 24 -0.062 3.414 -7.673 140 HB THR 24 HB THR 24 2.431 3.742 -7.664 141 HG1 THR 24 HG1 THR 24 1.637 6.212 -6.547 142 HG21 THR 24 HG21 THR 24 0.819 5.793 -9.182 143 HG22 THR 24 HG22 THR 24 1.083 4.125 -9.678 144 HG23 THR 24 HG23 THR 24 2.442 5.249 -9.609 145 H CYS 25 H CYS 25 0.804 1.674 -6.532 146 HA CYS 25 HA CYS 25 0.703 2.001 -3.671 147 HB2 CYS 25 HB2 CYS 25 -0.374 0.057 -4.614 148 HB3 CYS 25 HB3 CYS 25 1.135 -0.459 -5.375 149 H GLN 26 H GLN 26 2.423 2.731 -2.705 150 HA GLN 26 HA GLN 26 5.020 1.968 -3.778 151 HB2 GLN 26 HB2 GLN 26 4.226 4.276 -2.015 152 HB3 GLN 26 HB3 GLN 26 5.858 3.964 -2.582 153 HG2 GLN 26 HG2 GLN 26 5.034 4.196 -4.918 154 HG3 GLN 26 HG3 GLN 26 3.446 4.600 -4.282 155 HE21 GLN 26 HE21 GLN 26 3.419 6.581 -5.222 156 HE22 GLN 26 HE22 GLN 26 4.412 7.898 -4.719 157 H VAL 27 H VAL 27 5.851 0.315 -2.763 158 HA VAL 27 HA VAL 27 5.132 -0.354 -0.070 159 HB VAL 27 HB VAL 27 7.316 -1.549 -1.815 160 HG11 VAL 27 HG11 VAL 27 5.967 -2.667 0.630 161 HG12 VAL 27 HG12 VAL 27 7.617 -2.059 0.535 162 HG13 VAL 27 HG13 VAL 27 7.157 -3.508 -0.366 163 HG21 VAL 27 HG21 VAL 27 5.709 -3.334 -2.347 164 HG22 VAL 27 HG22 VAL 27 5.150 -1.757 -2.915 165 HG23 VAL 27 HG23 VAL 27 4.461 -2.461 -1.455 166 H LEU 28 H LEU 28 5.834 0.978 1.372 167 HA LEU 28 HA LEU 28 8.288 2.473 1.075 168 HB2 LEU 28 HB2 LEU 28 6.205 2.454 3.263 169 HB3 LEU 28 HB3 LEU 28 7.513 3.613 3.117 170 HG LEU 28 HG LEU 28 5.319 3.280 1.060 171 HD11 LEU 28 HD11 LEU 28 5.630 5.390 3.190 172 HD12 LEU 28 HD12 LEU 28 4.381 4.137 3.128 173 HD13 LEU 28 HD13 LEU 28 4.434 5.387 1.894 174 HD21 LEU 28 HD21 LEU 28 7.443 5.345 1.444 175 HD22 LEU 28 HD22 LEU 28 6.153 5.420 0.235 176 HD23 LEU 28 HD23 LEU 28 7.381 4.145 0.148 177 H ASN 29 H ASN 29 6.950 -0.011 3.111 178 HA ASN 29 HA ASN 29 9.622 -0.725 4.037 179 HB2 ASN 29 HB2 ASN 29 7.143 -0.552 5.820 180 HB3 ASN 29 HB3 ASN 29 8.710 -1.181 6.293 181 HD21 ASN 29 HD21 ASN 29 6.875 1.696 5.631 182 HD22 ASN 29 HD22 ASN 29 7.990 2.823 6.267 183 HA PRO 30 HA PRO 30 8.314 -4.752 2.777 184 HB2 PRO 30 HB2 PRO 30 8.695 -5.815 5.534 185 HB3 PRO 30 HB3 PRO 30 9.359 -6.400 4.006 186 HG2 PRO 30 HG2 PRO 30 10.898 -5.066 5.691 187 HG3 PRO 30 HG3 PRO 30 11.016 -4.760 3.950 188 HD2 PRO 30 HD2 PRO 30 9.680 -3.144 6.080 189 HD3 PRO 30 HD3 PRO 30 10.630 -2.584 4.689 190 H TYR 31 H TYR 31 6.865 -3.616 5.764 191 HA TYR 31 HA TYR 31 4.525 -5.288 5.138 192 HB2 TYR 31 HB2 TYR 31 5.166 -4.009 7.811 193 HB3 TYR 31 HB3 TYR 31 3.924 -5.208 7.473 194 HD1 TYR 31 HD1 TYR 31 4.554 -7.574 7.084 195 HD2 TYR 31 HD2 TYR 31 7.451 -4.643 8.064 196 HE1 TYR 31 HE1 TYR 31 6.182 -9.364 7.596 197 HE2 TYR 31 HE2 TYR 31 9.069 -6.396 8.580 198 HH TYR 31 HH TYR 31 8.627 -9.639 7.713 199 H TYR 32 H TYR 32 5.640 -2.028 5.597 200 HA TYR 32 HA TYR 32 2.929 -1.016 5.371 201 HB2 TYR 32 HB2 TYR 32 4.370 -0.018 7.101 202 HB3 TYR 32 HB3 TYR 32 5.465 0.528 5.837 203 HD1 TYR 32 HD1 TYR 32 5.315 2.801 5.367 204 HD2 TYR 32 HD2 TYR 32 1.785 0.645 6.431 205 HE1 TYR 32 HE1 TYR 32 4.031 4.834 5.187 206 HE2 TYR 32 HE2 TYR 32 0.475 2.712 6.240 207 HH TYR 32 HH TYR 32 0.757 5.055 6.283 208 H SER 33 H SER 33 2.128 -0.692 3.425 209 HA SER 33 HA SER 33 3.832 0.537 1.377 210 HB2 SER 33 HB2 SER 33 1.625 -1.492 0.887 211 HB3 SER 33 HB3 SER 33 2.732 -0.821 -0.311 212 HG SER 33 HG SER 33 3.296 -2.957 0.445 213 H GLN 34 H GLN 34 2.707 2.256 0.299 214 HA GLN 34 HA GLN 34 -0.030 2.687 1.229 215 HB2 GLN 34 HB2 GLN 34 1.241 4.010 2.754 216 HB3 GLN 34 HB3 GLN 34 2.251 4.647 1.469 217 HG2 GLN 34 HG2 GLN 34 0.403 5.950 0.612 218 HG3 GLN 34 HG3 GLN 34 -0.672 5.203 1.789 219 HE21 GLN 34 HE21 GLN 34 -0.816 6.063 3.803 220 HE22 GLN 34 HE22 GLN 34 0.137 7.390 4.349 221 H CYS 35 H CYS 35 -1.407 3.529 -0.202 222 HA CYS 35 HA CYS 35 -0.619 3.805 -2.945 223 HB2 CYS 35 HB2 CYS 35 -3.240 4.467 -1.592 224 HB3 CYS 35 HB3 CYS 35 -2.956 4.504 -3.329 225 H LEU 36 H LEU 36 0.383 5.511 -3.642 226 HA LEU 36 HA LEU 36 -0.497 8.138 -2.751 227 HB2 LEU 36 HB2 LEU 36 2.314 7.208 -3.306 228 HB3 LEU 36 HB3 LEU 36 1.861 8.894 -3.166 229 HG LEU 36 HG LEU 36 1.564 6.847 -0.965 230 HD11 LEU 36 HD11 LEU 36 3.409 8.013 0.096 231 HD12 LEU 36 HD12 LEU 36 3.562 9.060 -1.315 232 HD13 LEU 36 HD13 LEU 36 3.899 7.334 -1.457 233 HD21 LEU 36 HD21 LEU 36 1.173 9.838 -0.994 234 HD22 LEU 36 HD22 LEU 36 1.135 8.817 0.441 235 HD23 LEU 36 HD23 LEU 36 -0.092 8.619 -0.807 236 H1 MAN 101 H1 MAN 101 -9.302 5.842 2.327 237 H2 MAN 101 H2 MAN 101 -7.271 5.220 3.621 238 H3 MAN 101 H3 MAN 101 -7.202 2.874 3.012 239 H4 MAN 101 H4 MAN 101 -9.710 2.703 4.744 240 H5 MAN 101 H5 MAN 101 -9.363 2.233 1.717 241 H61 MAN 101 H61 MAN 101 -11.731 2.071 3.617 242 H62 MAN 101 H62 MAN 101 -11.105 0.754 2.600 243 HO2 MAN 101 HO2 MAN 101 -9.206 5.963 4.670 244 HO3 MAN 101 HO3 MAN 101 -6.810 2.072 5.119 245 HO4 MAN 101 HO4 MAN 101 -8.353 0.924 4.953 246 HO6 MAN 101 HO6 MAN 101 -11.966 3.237 1.512 Start of MODEL 15 1 H1 THR 1 H1 THR 1 -11.278 -1.340 -5.857 2 H2 THR 1 H2 THR 1 -11.713 -0.173 -4.718 3 H3 THR 1 H3 THR 1 -11.034 -1.633 -4.179 4 HA THR 1 HA THR 1 -9.007 -0.941 -5.349 5 HB THR 1 HB THR 1 -9.115 1.646 -5.730 6 HG1 THR 1 HG1 THR 1 -11.267 2.227 -6.478 7 HG21 THR 1 HG21 THR 1 -10.400 -0.293 -7.674 8 HG22 THR 1 HG22 THR 1 -8.664 -0.019 -7.497 9 HG23 THR 1 HG23 THR 1 -9.704 1.276 -8.087 10 H GLN 2 H GLN 2 -7.462 0.039 -4.074 11 HA GLN 2 HA GLN 2 -8.257 0.591 -1.375 12 HB2 GLN 2 HB2 GLN 2 -6.328 -0.892 -1.803 13 HB3 GLN 2 HB3 GLN 2 -5.516 0.410 -2.656 14 HG2 GLN 2 HG2 GLN 2 -4.708 0.100 -0.356 15 HG3 GLN 2 HG3 GLN 2 -5.361 1.705 -0.678 16 HE21 GLN 2 HE21 GLN 2 -5.961 2.212 1.196 17 HE22 GLN 2 HE22 GLN 2 -7.167 1.462 2.208 18 H SER 3 H SER 3 -7.994 2.565 -0.343 19 HA SER 3 HA SER 3 -8.300 4.795 -2.051 20 HB2 SER 3 HB2 SER 3 -8.716 6.005 -0.011 21 HB3 SER 3 HB3 SER 3 -9.596 4.481 0.031 22 H HIS 4 H HIS 4 -7.199 6.737 -1.679 23 HA HIS 4 HA HIS 4 -4.351 6.615 -1.977 24 HB2 HIS 4 HB2 HIS 4 -5.884 8.298 -3.061 25 HB3 HIS 4 HB3 HIS 4 -6.138 9.023 -1.486 26 HD1 HIS 4 HD1 HIS 4 -5.241 11.248 -2.530 27 HD2 HIS 4 HD2 HIS 4 -2.458 8.178 -2.438 28 HE1 HIS 4 HE1 HIS 4 -3.038 12.330 -3.038 29 HE2 HIS 4 HE2 HIS 4 -1.436 10.408 -3.247 30 H TYR 5 H TYR 5 -2.806 6.887 -0.429 31 HA TYR 5 HA TYR 5 -1.800 7.101 1.499 32 HB2 TYR 5 HB2 TYR 5 -4.184 8.742 2.177 33 HB3 TYR 5 HB3 TYR 5 -3.064 8.303 3.459 34 HD1 TYR 5 HD1 TYR 5 -3.514 10.333 0.417 35 HD2 TYR 5 HD2 TYR 5 -0.835 9.166 3.493 36 HE1 TYR 5 HE1 TYR 5 -2.011 12.190 -0.183 37 HE2 TYR 5 HE2 TYR 5 0.655 10.992 2.922 38 HH TYR 5 HH TYR 5 1.173 12.381 1.050 39 H GLY 6 H GLY 6 -4.085 5.129 0.888 40 HA2 GLY 6 HA2 GLY 6 -4.295 3.969 3.540 41 HA3 GLY 6 HA3 GLY 6 -5.130 3.466 2.091 42 H GLN 7 H GLN 7 -3.749 1.672 3.728 43 HA GLN 7 HA GLN 7 -1.143 1.183 2.690 44 HB2 GLN 7 HB2 GLN 7 -1.964 0.597 5.010 45 HB3 GLN 7 HB3 GLN 7 -2.928 -0.674 4.277 46 HG2 GLN 7 HG2 GLN 7 -0.916 -1.780 3.508 47 HG3 GLN 7 HG3 GLN 7 0.076 -0.475 4.158 48 HE21 GLN 7 HE21 GLN 7 0.203 -3.257 4.851 49 HE22 GLN 7 HE22 GLN 7 -0.144 -3.349 6.532 50 H CYS 8 H CYS 8 -0.643 -0.043 0.963 51 HA CYS 8 HA CYS 8 -2.946 -1.179 -0.491 52 HB2 CYS 8 HB2 CYS 8 -1.589 -0.871 -2.496 53 HB3 CYS 8 HB3 CYS 8 -2.000 0.617 -1.650 54 H GLY 9 H GLY 9 -0.498 -2.394 1.281 55 HA2 GLY 9 HA2 GLY 9 -0.783 -4.955 0.890 56 HA3 GLY 9 HA3 GLY 9 -0.124 -4.551 -0.681 57 H GLY 10 H GLY 10 0.493 -4.599 2.708 58 HA2 GLY 10 HA2 GLY 10 3.349 -4.828 2.138 59 HA3 GLY 10 HA3 GLY 10 2.637 -4.555 3.737 60 H ILE 11 H ILE 11 4.324 -6.616 3.616 61 HA ILE 11 HA ILE 11 3.271 -9.104 2.889 62 HB ILE 11 HB ILE 11 5.023 -8.545 5.297 63 HG12 ILE 11 HG12 ILE 11 5.894 -9.177 2.470 64 HG13 ILE 11 HG13 ILE 11 5.935 -7.567 3.182 65 HG21 ILE 11 HG21 ILE 11 4.077 -10.787 5.255 66 HG22 ILE 11 HG22 ILE 11 5.817 -10.838 4.967 67 HG23 ILE 11 HG23 ILE 11 4.693 -11.036 3.619 68 HD11 ILE 11 HD11 ILE 11 7.445 -9.970 4.151 69 HD12 ILE 11 HD12 ILE 11 7.495 -8.363 4.875 70 HD13 ILE 11 HD13 ILE 11 8.126 -8.614 3.244 71 H GLY 12 H GLY 12 1.443 -10.024 3.585 72 HA2 GLY 12 HA2 GLY 12 0.170 -11.075 5.252 73 HA3 GLY 12 HA3 GLY 12 0.815 -9.941 6.426 74 H TYR 13 H TYR 13 -0.037 -8.094 3.863 75 HA TYR 13 HA TYR 13 -2.346 -7.097 5.264 76 HB2 TYR 13 HB2 TYR 13 -0.732 -5.581 4.150 77 HB3 TYR 13 HB3 TYR 13 -1.217 -6.240 2.596 78 HD1 TYR 13 HD1 TYR 13 -2.817 -5.071 1.372 79 HD2 TYR 13 HD2 TYR 13 -2.716 -4.576 5.593 80 HE1 TYR 13 HE1 TYR 13 -4.528 -3.328 1.209 81 HE2 TYR 13 HE2 TYR 13 -4.432 -2.830 5.434 82 HH TYR 13 HH TYR 13 -6.120 -2.173 2.478 83 H SER 14 H SER 14 -4.237 -8.028 5.127 84 HA SER 14 HA SER 14 -4.914 -9.557 2.760 85 HB2 SER 14 HB2 SER 14 -6.211 -9.424 5.485 86 HB3 SER 14 HB3 SER 14 -6.684 -10.518 4.180 87 HG SER 14 HG SER 14 -4.403 -11.158 4.218 88 H GLY 15 H GLY 15 -5.276 -6.465 3.643 89 HA2 GLY 15 HA2 GLY 15 -7.996 -6.099 2.776 90 HA3 GLY 15 HA3 GLY 15 -6.841 -4.823 3.159 91 HA PRO 16 HA PRO 16 -7.557 -5.109 -1.503 92 HB2 PRO 16 HB2 PRO 16 -7.769 -2.168 -1.119 93 HB3 PRO 16 HB3 PRO 16 -8.804 -3.247 -2.064 94 HG2 PRO 16 HG2 PRO 16 -9.661 -2.240 0.229 95 HG3 PRO 16 HG3 PRO 16 -10.001 -3.933 -0.186 96 HD2 PRO 16 HD2 PRO 16 -7.903 -2.824 1.649 97 HD3 PRO 16 HD3 PRO 16 -8.993 -4.206 1.900 98 H THR 17 H THR 17 -5.788 -5.152 -2.752 99 HA THR 17 HA THR 17 -3.434 -3.587 -1.960 100 HB THR 17 HB THR 17 -2.275 -5.345 -3.408 101 HG1 THR 17 HG1 THR 17 -3.611 -6.639 -4.395 102 HG21 THR 17 HG21 THR 17 -2.159 -5.337 -0.973 103 HG22 THR 17 HG22 THR 17 -2.298 -6.996 -1.563 104 HG23 THR 17 HG23 THR 17 -3.705 -6.173 -0.878 105 H VAL 18 H VAL 18 -5.844 -3.510 -4.172 106 HA VAL 18 HA VAL 18 -4.110 -2.523 -6.315 107 HB VAL 18 HB VAL 18 -7.083 -3.162 -6.389 108 HG11 VAL 18 HG11 VAL 18 -5.231 -2.350 -8.640 109 HG12 VAL 18 HG12 VAL 18 -6.513 -1.357 -7.943 110 HG13 VAL 18 HG13 VAL 18 -6.919 -2.838 -8.811 111 HG21 VAL 18 HG21 VAL 18 -5.650 -5.144 -6.220 112 HG22 VAL 18 HG22 VAL 18 -4.739 -4.593 -7.626 113 HG23 VAL 18 HG23 VAL 18 -6.432 -5.044 -7.797 114 H CYS 19 H CYS 19 -3.677 -0.460 -6.124 115 HA CYS 19 HA CYS 19 -5.132 1.339 -4.538 116 HB2 CYS 19 HB2 CYS 19 -2.987 1.748 -6.600 117 HB3 CYS 19 HB3 CYS 19 -3.618 3.019 -5.565 118 H ALA 20 H ALA 20 -6.256 3.194 -5.133 119 HA ALA 20 HA ALA 20 -8.057 2.998 -7.267 120 HB1 ALA 20 HB1 ALA 20 -8.507 4.310 -5.250 121 HB2 ALA 20 HB2 ALA 20 -8.646 5.316 -6.692 122 HB3 ALA 20 HB3 ALA 20 -7.210 5.425 -5.675 123 H SER 21 H SER 21 -8.158 4.239 -9.187 124 HA SER 21 HA SER 21 -5.773 4.305 -10.628 125 HB2 SER 21 HB2 SER 21 -8.380 5.687 -11.254 126 HB3 SER 21 HB3 SER 21 -7.123 5.225 -12.408 127 HG SER 21 HG SER 21 -7.449 3.043 -11.553 128 H GLY 22 H GLY 22 -4.236 5.713 -10.769 129 HA2 GLY 22 HA2 GLY 22 -3.523 7.983 -11.067 130 HA3 GLY 22 HA3 GLY 22 -4.774 8.473 -9.927 131 H THR 23 H THR 23 -3.972 5.929 -8.359 132 HA THR 23 HA THR 23 -1.704 7.229 -7.039 133 HB THR 23 HB THR 23 -2.367 6.079 -4.952 134 HG1 THR 23 HG1 THR 23 -4.367 4.941 -6.612 135 HG21 THR 23 HG21 THR 23 -3.273 8.289 -5.344 136 HG22 THR 23 HG22 THR 23 -4.459 7.291 -4.508 137 HG23 THR 23 HG23 THR 23 -4.628 7.601 -6.239 138 H THR 24 H THR 24 0.006 5.938 -6.274 139 HA THR 24 HA THR 24 0.227 3.387 -7.691 140 HB THR 24 HB THR 24 2.737 3.842 -7.536 141 HG1 THR 24 HG1 THR 24 1.724 6.208 -6.420 142 HG21 THR 24 HG21 THR 24 2.749 5.339 -9.489 143 HG22 THR 24 HG22 THR 24 1.065 5.759 -9.176 144 HG23 THR 24 HG23 THR 24 1.490 4.112 -9.639 145 H CYS 25 H CYS 25 0.962 1.623 -6.523 146 HA CYS 25 HA CYS 25 0.786 1.901 -3.653 147 HB2 CYS 25 HB2 CYS 25 -0.233 -0.067 -4.668 148 HB3 CYS 25 HB3 CYS 25 1.311 -0.590 -5.327 149 H GLN 26 H GLN 26 2.450 2.791 -2.714 150 HA GLN 26 HA GLN 26 5.092 2.093 -3.685 151 HB2 GLN 26 HB2 GLN 26 4.129 4.430 -2.060 152 HB3 GLN 26 HB3 GLN 26 5.818 4.141 -2.455 153 HG2 GLN 26 HG2 GLN 26 5.277 4.272 -4.837 154 HG3 GLN 26 HG3 GLN 26 3.586 4.551 -4.435 155 HE21 GLN 26 HE21 GLN 26 3.545 6.482 -5.467 156 HE22 GLN 26 HE22 GLN 26 4.320 7.904 -4.848 157 H VAL 27 H VAL 27 6.035 0.590 -2.662 158 HA VAL 27 HA VAL 27 5.450 -0.204 0.002 159 HB VAL 27 HB VAL 27 7.787 -0.948 -1.803 160 HG11 VAL 27 HG11 VAL 27 6.754 -2.298 0.683 161 HG12 VAL 27 HG12 VAL 27 8.270 -1.416 0.542 162 HG13 VAL 27 HG13 VAL 27 8.034 -2.916 -0.362 163 HG21 VAL 27 HG21 VAL 27 6.522 -2.984 -2.279 164 HG22 VAL 27 HG22 VAL 27 5.644 -1.540 -2.788 165 HG23 VAL 27 HG23 VAL 27 5.182 -2.374 -1.305 166 H LEU 28 H LEU 28 5.961 1.102 1.564 167 HA LEU 28 HA LEU 28 8.287 2.847 1.373 168 HB2 LEU 28 HB2 LEU 28 6.087 2.706 3.439 169 HB3 LEU 28 HB3 LEU 28 7.312 3.960 3.338 170 HG LEU 28 HG LEU 28 5.170 3.437 1.263 171 HD11 LEU 28 HD11 LEU 28 5.451 5.662 3.259 172 HD12 LEU 28 HD12 LEU 28 4.218 4.390 3.258 173 HD13 LEU 28 HD13 LEU 28 4.264 5.584 1.961 174 HD21 LEU 28 HD21 LEU 28 5.935 5.524 0.269 175 HD22 LEU 28 HD22 LEU 28 7.208 4.293 0.283 176 HD23 LEU 28 HD23 LEU 28 7.218 5.597 1.477 177 H ASN 29 H ASN 29 6.999 0.159 3.102 178 HA ASN 29 HA ASN 29 9.605 -0.511 4.185 179 HB2 ASN 29 HB2 ASN 29 7.038 -0.517 5.848 180 HB3 ASN 29 HB3 ASN 29 8.591 -1.155 6.338 181 HD21 ASN 29 HD21 ASN 29 6.750 1.759 5.800 182 HD22 ASN 29 HD22 ASN 29 7.806 2.821 6.646 183 HA PRO 30 HA PRO 30 8.303 -4.427 2.571 184 HB2 PRO 30 HB2 PRO 30 8.674 -5.713 5.231 185 HB3 PRO 30 HB3 PRO 30 9.362 -6.161 3.666 186 HG2 PRO 30 HG2 PRO 30 10.878 -4.969 5.479 187 HG3 PRO 30 HG3 PRO 30 11.005 -4.508 3.773 188 HD2 PRO 30 HD2 PRO 30 9.615 -3.105 6.018 189 HD3 PRO 30 HD3 PRO 30 10.592 -2.408 4.713 190 H TYR 31 H TYR 31 6.912 -3.605 5.689 191 HA TYR 31 HA TYR 31 4.553 -5.207 4.984 192 HB2 TYR 31 HB2 TYR 31 5.330 -4.042 7.670 193 HB3 TYR 31 HB3 TYR 31 3.943 -5.080 7.359 194 HD1 TYR 31 HD1 TYR 31 7.639 -4.972 7.448 195 HD2 TYR 31 HD2 TYR 31 4.196 -7.466 7.246 196 HE1 TYR 31 HE1 TYR 31 9.046 -6.916 7.840 197 HE2 TYR 31 HE2 TYR 31 5.601 -9.429 7.645 198 HH TYR 31 HH TYR 31 8.785 -9.232 8.713 199 H TYR 32 H TYR 32 5.635 -1.953 5.555 200 HA TYR 32 HA TYR 32 2.900 -0.993 5.355 201 HB2 TYR 32 HB2 TYR 32 4.284 -0.022 7.124 202 HB3 TYR 32 HB3 TYR 32 5.407 0.574 5.909 203 HD1 TYR 32 HD1 TYR 32 1.739 0.661 6.565 204 HD2 TYR 32 HD2 TYR 32 5.221 2.838 5.390 205 HE1 TYR 32 HE1 TYR 32 0.426 2.719 6.462 206 HE2 TYR 32 HE2 TYR 32 3.931 4.868 5.305 207 HH TYR 32 HH TYR 32 0.759 5.055 6.593 208 H SER 33 H SER 33 2.113 -0.599 3.429 209 HA SER 33 HA SER 33 3.835 0.647 1.416 210 HB2 SER 33 HB2 SER 33 1.774 -1.518 0.859 211 HB3 SER 33 HB3 SER 33 2.857 -0.767 -0.313 212 HG SER 33 HG SER 33 3.472 -2.904 0.550 213 H GLN 34 H GLN 34 2.721 2.316 0.366 214 HA GLN 34 HA GLN 34 -0.073 2.682 1.177 215 HB2 GLN 34 HB2 GLN 34 1.147 4.007 2.745 216 HB3 GLN 34 HB3 GLN 34 2.195 4.638 1.494 217 HG2 GLN 34 HG2 GLN 34 0.379 5.953 0.583 218 HG3 GLN 34 HG3 GLN 34 -0.739 5.234 1.738 219 HE21 GLN 34 HE21 GLN 34 -0.873 6.071 3.752 220 HE22 GLN 34 HE22 GLN 34 0.086 7.385 4.321 221 H CYS 35 H CYS 35 -1.409 3.485 -0.329 222 HA CYS 35 HA CYS 35 -0.493 3.776 -3.040 223 HB2 CYS 35 HB2 CYS 35 -3.200 4.452 -1.862 224 HB3 CYS 35 HB3 CYS 35 -2.810 4.399 -3.574 225 H LEU 36 H LEU 36 0.624 5.501 -3.564 226 HA LEU 36 HA LEU 36 -0.322 8.107 -2.653 227 HB2 LEU 36 HB2 LEU 36 2.489 7.193 -3.223 228 HB3 LEU 36 HB3 LEU 36 2.044 8.879 -3.057 229 HG LEU 36 HG LEU 36 1.738 6.793 -0.899 230 HD11 LEU 36 HD11 LEU 36 4.080 7.303 -1.335 231 HD12 LEU 36 HD12 LEU 36 3.554 7.970 0.212 232 HD13 LEU 36 HD13 LEU 36 3.737 9.031 -1.188 233 HD21 LEU 36 HD21 LEU 36 1.294 9.774 -0.895 234 HD22 LEU 36 HD22 LEU 36 1.281 8.741 0.532 235 HD23 LEU 36 HD23 LEU 36 0.059 8.525 -0.714 236 H1 MAN 101 H1 MAN 101 -8.881 6.147 2.212 237 H2 MAN 101 H2 MAN 101 -6.739 5.512 3.365 238 H3 MAN 101 H3 MAN 101 -6.937 3.080 3.133 239 H4 MAN 101 H4 MAN 101 -9.232 3.343 5.101 240 H5 MAN 101 H5 MAN 101 -9.171 2.434 2.165 241 H61 MAN 101 H61 MAN 101 -10.892 1.342 3.581 242 H62 MAN 101 H62 MAN 101 -11.601 2.385 2.329 243 HO2 MAN 101 HO2 MAN 101 -9.162 5.307 4.864 244 HO3 MAN 101 HO3 MAN 101 -6.636 2.555 5.322 245 HO4 MAN 101 HO4 MAN 101 -9.222 1.046 4.766 246 HO6 MAN 101 HO6 MAN 101 -11.634 4.070 4.020 Start of MODEL 16 1 H1 THR 1 H1 THR 1 -11.294 -1.087 -4.328 2 H2 THR 1 H2 THR 1 -11.424 -0.626 -5.963 3 H3 THR 1 H3 THR 1 -11.634 0.518 -4.730 4 HA THR 1 HA THR 1 -9.153 -0.906 -5.304 5 HB THR 1 HB THR 1 -8.425 1.487 -5.843 6 HG1 THR 1 HG1 THR 1 -10.300 2.734 -6.736 7 HG21 THR 1 HG21 THR 1 -9.180 1.344 -8.178 8 HG22 THR 1 HG22 THR 1 -10.383 0.143 -7.714 9 HG23 THR 1 HG23 THR 1 -8.665 -0.233 -7.577 10 H GLN 2 H GLN 2 -7.348 0.128 -4.119 11 HA GLN 2 HA GLN 2 -8.169 0.711 -1.427 12 HB2 GLN 2 HB2 GLN 2 -6.312 -0.880 -1.770 13 HB3 GLN 2 HB3 GLN 2 -5.396 0.363 -2.610 14 HG2 GLN 2 HG2 GLN 2 -4.676 0.062 -0.280 15 HG3 GLN 2 HG3 GLN 2 -5.260 1.686 -0.633 16 HE21 GLN 2 HE21 GLN 2 -5.933 2.265 1.198 17 HE22 GLN 2 HE22 GLN 2 -7.194 1.540 2.169 18 H SER 3 H SER 3 -7.875 2.659 -0.400 19 HA SER 3 HA SER 3 -8.049 4.873 -2.126 20 HB2 SER 3 HB2 SER 3 -8.541 6.111 -0.086 21 HB3 SER 3 HB3 SER 3 -9.476 4.613 -0.148 22 H HIS 4 H HIS 4 -6.964 6.789 -1.747 23 HA HIS 4 HA HIS 4 -4.130 6.697 -1.934 24 HB2 HIS 4 HB2 HIS 4 -5.687 8.407 -2.987 25 HB3 HIS 4 HB3 HIS 4 -5.892 9.113 -1.405 26 HD1 HIS 4 HD1 HIS 4 -4.911 11.367 -2.223 27 HD2 HIS 4 HD2 HIS 4 -2.310 8.178 -2.573 28 HE1 HIS 4 HE1 HIS 4 -2.690 12.388 -2.784 29 HE2 HIS 4 HE2 HIS 4 -1.211 10.446 -3.265 30 H TYR 5 H TYR 5 -2.641 6.931 -0.311 31 HA TYR 5 HA TYR 5 -1.681 7.208 1.669 32 HB2 TYR 5 HB2 TYR 5 -4.228 8.591 2.389 33 HB3 TYR 5 HB3 TYR 5 -2.932 8.401 3.583 34 HD1 TYR 5 HD1 TYR 5 -4.329 10.423 1.045 35 HD2 TYR 5 HD2 TYR 5 -0.622 9.380 2.825 36 HE1 TYR 5 HE1 TYR 5 -3.335 12.486 0.165 37 HE2 TYR 5 HE2 TYR 5 0.386 11.439 1.953 38 HH TYR 5 HH TYR 5 -1.410 13.973 0.830 39 H GLY 6 H GLY 6 -3.956 5.196 0.962 40 HA2 GLY 6 HA2 GLY 6 -4.257 3.958 3.584 41 HA3 GLY 6 HA3 GLY 6 -5.024 3.488 2.082 42 H GLN 7 H GLN 7 -3.793 1.615 3.726 43 HA GLN 7 HA GLN 7 -1.130 1.104 2.792 44 HB2 GLN 7 HB2 GLN 7 -2.044 0.478 5.080 45 HB3 GLN 7 HB3 GLN 7 -2.990 -0.764 4.277 46 HG2 GLN 7 HG2 GLN 7 -0.942 -1.855 3.532 47 HG3 GLN 7 HG3 GLN 7 0.028 -0.602 4.307 48 HE21 GLN 7 HE21 GLN 7 0.124 -3.423 4.871 49 HE22 GLN 7 HE22 GLN 7 -0.383 -3.647 6.489 50 H CYS 8 H CYS 8 -0.648 0.062 0.949 51 HA CYS 8 HA CYS 8 -2.886 -1.157 -0.519 52 HB2 CYS 8 HB2 CYS 8 -1.481 -0.867 -2.501 53 HB3 CYS 8 HB3 CYS 8 -1.944 0.625 -1.699 54 H GLY 9 H GLY 9 -0.532 -2.382 1.331 55 HA2 GLY 9 HA2 GLY 9 -0.759 -4.912 1.033 56 HA3 GLY 9 HA3 GLY 9 -0.245 -4.580 -0.609 57 H GLY 10 H GLY 10 0.675 -4.555 2.708 58 HA2 GLY 10 HA2 GLY 10 3.460 -4.806 1.888 59 HA3 GLY 10 HA3 GLY 10 2.880 -4.557 3.540 60 H ILE 11 H ILE 11 4.457 -6.589 3.525 61 HA ILE 11 HA ILE 11 3.352 -9.068 2.773 62 HB ILE 11 HB ILE 11 5.219 -8.506 5.099 63 HG12 ILE 11 HG12 ILE 11 5.881 -9.255 2.247 64 HG13 ILE 11 HG13 ILE 11 6.050 -7.641 2.926 65 HG21 ILE 11 HG21 ILE 11 5.920 -10.855 4.797 66 HG22 ILE 11 HG22 ILE 11 4.688 -11.050 3.548 67 HG23 ILE 11 HG23 ILE 11 4.209 -10.723 5.213 68 HD11 ILE 11 HD11 ILE 11 7.514 -10.104 3.813 69 HD12 ILE 11 HD12 ILE 11 7.692 -8.497 4.519 70 HD13 ILE 11 HD13 ILE 11 8.189 -8.789 2.850 71 H GLY 12 H GLY 12 1.501 -9.939 3.509 72 HA2 GLY 12 HA2 GLY 12 0.286 -10.975 5.226 73 HA3 GLY 12 HA3 GLY 12 1.023 -9.866 6.372 74 H TYR 13 H TYR 13 -0.039 -8.191 3.668 75 HA TYR 13 HA TYR 13 -2.140 -7.031 5.262 76 HB2 TYR 13 HB2 TYR 13 -0.684 -5.580 3.880 77 HB3 TYR 13 HB3 TYR 13 -1.336 -6.349 2.434 78 HD1 TYR 13 HD1 TYR 13 -2.767 -4.917 1.284 79 HD2 TYR 13 HD2 TYR 13 -2.862 -4.907 5.533 80 HE1 TYR 13 HE1 TYR 13 -4.565 -3.264 1.242 81 HE2 TYR 13 HE2 TYR 13 -4.658 -3.251 5.499 82 HH TYR 13 HH TYR 13 -6.166 -2.252 2.494 83 H SER 14 H SER 14 -4.064 -7.802 5.363 84 HA SER 14 HA SER 14 -5.034 -9.763 3.526 85 HB2 SER 14 HB2 SER 14 -6.933 -9.674 5.268 86 HB3 SER 14 HB3 SER 14 -5.337 -10.240 5.779 87 HG SER 14 HG SER 14 -6.651 -7.833 6.370 88 H GLY 15 H GLY 15 -5.140 -6.469 3.418 89 HA2 GLY 15 HA2 GLY 15 -7.958 -6.248 2.591 90 HA3 GLY 15 HA3 GLY 15 -6.883 -4.915 2.950 91 HA PRO 16 HA PRO 16 -7.335 -5.278 -1.681 92 HB2 PRO 16 HB2 PRO 16 -7.648 -2.360 -1.472 93 HB3 PRO 16 HB3 PRO 16 -8.685 -3.539 -2.273 94 HG2 PRO 16 HG2 PRO 16 -9.435 -2.300 -0.016 95 HG3 PRO 16 HG3 PRO 16 -9.885 -3.978 -0.370 96 HD2 PRO 16 HD2 PRO 16 -7.729 -2.945 1.439 97 HD3 PRO 16 HD3 PRO 16 -8.870 -4.279 1.692 98 H THR 17 H THR 17 -5.530 -5.233 -2.849 99 HA THR 17 HA THR 17 -3.311 -3.571 -1.966 100 HB THR 17 HB THR 17 -2.008 -5.185 -3.438 101 HG1 THR 17 HG1 THR 17 -3.025 -6.952 -4.144 102 HG21 THR 17 HG21 THR 17 -2.029 -6.942 -1.722 103 HG22 THR 17 HG22 THR 17 -3.574 -6.324 -1.120 104 HG23 THR 17 HG23 THR 17 -2.122 -5.336 -0.986 105 H VAL 18 H VAL 18 -5.686 -3.522 -4.194 106 HA VAL 18 HA VAL 18 -4.039 -2.472 -6.381 107 HB VAL 18 HB VAL 18 -7.006 -3.123 -6.362 108 HG11 VAL 18 HG11 VAL 18 -6.895 -2.892 -8.794 109 HG12 VAL 18 HG12 VAL 18 -5.202 -2.431 -8.682 110 HG13 VAL 18 HG13 VAL 18 -6.445 -1.384 -7.998 111 HG21 VAL 18 HG21 VAL 18 -6.380 -5.053 -7.751 112 HG22 VAL 18 HG22 VAL 18 -5.670 -5.132 -6.140 113 HG23 VAL 18 HG23 VAL 18 -4.678 -4.649 -7.513 114 H CYS 19 H CYS 19 -3.633 -0.378 -6.169 115 HA CYS 19 HA CYS 19 -5.129 1.342 -4.538 116 HB2 CYS 19 HB2 CYS 19 -2.956 1.846 -6.552 117 HB3 CYS 19 HB3 CYS 19 -3.619 3.070 -5.475 118 H ALA 20 H ALA 20 -6.191 3.245 -5.118 119 HA ALA 20 HA ALA 20 -8.082 3.042 -7.163 120 HB1 ALA 20 HB1 ALA 20 -7.148 5.506 -5.686 121 HB2 ALA 20 HB2 ALA 20 -8.416 4.400 -5.155 122 HB3 ALA 20 HB3 ALA 20 -8.640 5.359 -6.620 123 H SER 21 H SER 21 -8.274 4.120 -9.091 124 HA SER 21 HA SER 21 -6.019 4.260 -10.690 125 HB2 SER 21 HB2 SER 21 -8.683 5.616 -11.078 126 HB3 SER 21 HB3 SER 21 -7.561 5.113 -12.345 127 HG SER 21 HG SER 21 -7.878 2.942 -11.165 128 H GLY 22 H GLY 22 -4.488 5.767 -10.773 129 HA2 GLY 22 HA2 GLY 22 -3.874 8.091 -11.031 130 HA3 GLY 22 HA3 GLY 22 -5.125 8.489 -9.858 131 H THR 23 H THR 23 -4.075 5.877 -8.416 132 HA THR 23 HA THR 23 -1.796 7.227 -7.173 133 HB THR 23 HB THR 23 -2.389 6.063 -5.047 134 HG1 THR 23 HG1 THR 23 -4.427 5.009 -6.669 135 HG21 THR 23 HG21 THR 23 -4.369 7.404 -4.490 136 HG22 THR 23 HG22 THR 23 -4.634 7.713 -6.207 137 HG23 THR 23 HG23 THR 23 -3.190 8.338 -5.410 138 H THR 24 H THR 24 -0.030 5.896 -6.492 139 HA THR 24 HA THR 24 -0.032 3.250 -7.761 140 HB THR 24 HB THR 24 2.474 3.533 -7.915 141 HG1 THR 24 HG1 THR 24 1.841 5.971 -6.710 142 HG21 THR 24 HG21 THR 24 2.438 5.029 -9.870 143 HG22 THR 24 HG22 THR 24 0.837 5.594 -9.400 144 HG23 THR 24 HG23 THR 24 1.070 3.914 -9.888 145 H CYS 25 H CYS 25 0.855 1.508 -6.543 146 HA CYS 25 HA CYS 25 0.773 1.951 -3.726 147 HB2 CYS 25 HB2 CYS 25 -0.193 -0.070 -4.649 148 HB3 CYS 25 HB3 CYS 25 1.355 -0.552 -5.332 149 H GLN 26 H GLN 26 2.421 2.752 -2.709 150 HA GLN 26 HA GLN 26 5.081 2.183 -3.739 151 HB2 GLN 26 HB2 GLN 26 4.086 4.425 -1.998 152 HB3 GLN 26 HB3 GLN 26 5.768 4.196 -2.442 153 HG2 GLN 26 HG2 GLN 26 5.114 4.398 -4.824 154 HG3 GLN 26 HG3 GLN 26 3.464 4.725 -4.306 155 HE21 GLN 26 HE21 GLN 26 3.398 6.710 -5.205 156 HE22 GLN 26 HE22 GLN 26 4.316 8.048 -4.626 157 H VAL 27 H VAL 27 6.103 0.698 -2.728 158 HA VAL 27 HA VAL 27 5.422 -0.198 -0.112 159 HB VAL 27 HB VAL 27 7.918 -0.807 -1.743 160 HG11 VAL 27 HG11 VAL 27 6.682 -2.296 0.570 161 HG12 VAL 27 HG12 VAL 27 8.192 -1.391 0.601 162 HG13 VAL 27 HG13 VAL 27 8.058 -2.850 -0.381 163 HG21 VAL 27 HG21 VAL 27 5.913 -1.411 -2.998 164 HG22 VAL 27 HG22 VAL 27 5.305 -2.325 -1.618 165 HG23 VAL 27 HG23 VAL 27 6.762 -2.857 -2.455 166 H LEU 28 H LEU 28 5.859 0.969 1.583 167 HA LEU 28 HA LEU 28 8.099 2.830 1.545 168 HB2 LEU 28 HB2 LEU 28 5.746 2.591 3.409 169 HB3 LEU 28 HB3 LEU 28 6.994 3.817 3.530 170 HG LEU 28 HG LEU 28 5.073 3.495 1.219 171 HD11 LEU 28 HD11 LEU 28 4.172 5.622 1.976 172 HD12 LEU 28 HD12 LEU 28 5.225 5.556 3.398 173 HD13 LEU 28 HD13 LEU 28 3.959 4.341 3.166 174 HD21 LEU 28 HD21 LEU 28 7.198 5.519 1.781 175 HD22 LEU 28 HD22 LEU 28 5.994 5.636 0.485 176 HD23 LEU 28 HD23 LEU 28 7.189 4.327 0.472 177 H ASN 29 H ASN 29 6.878 0.019 3.144 178 HA ASN 29 HA ASN 29 9.444 -0.514 4.339 179 HB2 ASN 29 HB2 ASN 29 6.849 -0.504 5.955 180 HB3 ASN 29 HB3 ASN 29 8.399 -1.077 6.533 181 HD21 ASN 29 HD21 ASN 29 6.421 1.664 5.925 182 HD22 ASN 29 HD22 ASN 29 7.409 2.851 6.675 183 HA PRO 30 HA PRO 30 8.327 -4.601 2.972 184 HB2 PRO 30 HB2 PRO 30 8.467 -5.661 5.748 185 HB3 PRO 30 HB3 PRO 30 9.279 -6.233 4.284 186 HG2 PRO 30 HG2 PRO 30 10.627 -4.881 6.110 187 HG3 PRO 30 HG3 PRO 30 10.909 -4.572 4.387 188 HD2 PRO 30 HD2 PRO 30 9.367 -2.968 6.376 189 HD3 PRO 30 HD3 PRO 30 10.428 -2.411 5.067 190 H TYR 31 H TYR 31 6.619 -3.700 5.987 191 HA TYR 31 HA TYR 31 4.379 -5.344 5.029 192 HB2 TYR 31 HB2 TYR 31 4.718 -4.151 7.800 193 HB3 TYR 31 HB3 TYR 31 3.539 -5.345 7.298 194 HD1 TYR 31 HD1 TYR 31 7.036 -4.788 8.215 195 HD2 TYR 31 HD2 TYR 31 4.186 -7.687 6.991 196 HE1 TYR 31 HE1 TYR 31 8.581 -6.554 8.864 197 HE2 TYR 31 HE2 TYR 31 5.732 -9.482 7.637 198 HH TYR 31 HH TYR 31 8.156 -9.757 7.907 199 H TYR 32 H TYR 32 5.377 -2.108 5.745 200 HA TYR 32 HA TYR 32 2.670 -1.157 5.303 201 HB2 TYR 32 HB2 TYR 32 3.890 -0.191 7.191 202 HB3 TYR 32 HB3 TYR 32 5.094 0.452 6.077 203 HD1 TYR 32 HD1 TYR 32 4.851 2.698 5.395 204 HD2 TYR 32 HD2 TYR 32 1.412 0.463 6.586 205 HE1 TYR 32 HE1 TYR 32 3.487 4.675 5.150 206 HE2 TYR 32 HE2 TYR 32 0.027 2.459 6.318 207 HH TYR 32 HH TYR 32 1.167 5.325 4.807 208 H SER 33 H SER 33 2.016 -0.770 3.349 209 HA SER 33 HA SER 33 3.816 0.610 1.489 210 HB2 SER 33 HB2 SER 33 1.753 -1.504 0.756 211 HB3 SER 33 HB3 SER 33 2.834 -0.668 -0.359 212 HG SER 33 HG SER 33 3.441 -2.861 0.391 213 H GLN 34 H GLN 34 2.685 2.271 0.301 214 HA GLN 34 HA GLN 34 -0.072 2.704 1.194 215 HB2 GLN 34 HB2 GLN 34 1.207 4.031 2.692 216 HB3 GLN 34 HB3 GLN 34 2.234 4.622 1.401 217 HG2 GLN 34 HG2 GLN 34 0.413 5.959 0.524 218 HG3 GLN 34 HG3 GLN 34 -0.680 5.287 1.727 219 HE21 GLN 34 HE21 GLN 34 -0.703 6.127 3.779 220 HE22 GLN 34 HE22 GLN 34 0.307 7.434 4.260 221 H CYS 35 H CYS 35 -1.433 3.471 -0.292 222 HA CYS 35 HA CYS 35 -0.598 3.695 -3.026 223 HB2 CYS 35 HB2 CYS 35 -3.252 4.385 -1.755 224 HB3 CYS 35 HB3 CYS 35 -2.932 4.369 -3.483 225 H LEU 36 H LEU 36 0.469 5.363 -3.699 226 HA LEU 36 HA LEU 36 -0.482 8.032 -3.046 227 HB2 LEU 36 HB2 LEU 36 2.380 7.110 -3.250 228 HB3 LEU 36 HB3 LEU 36 1.882 8.788 -3.171 229 HG LEU 36 HG LEU 36 1.406 6.758 -1.000 230 HD11 LEU 36 HD11 LEU 36 3.154 7.951 0.216 231 HD12 LEU 36 HD12 LEU 36 3.450 8.957 -1.204 232 HD13 LEU 36 HD13 LEU 36 3.776 7.223 -1.263 233 HD21 LEU 36 HD21 LEU 36 -0.249 8.534 -0.999 234 HD22 LEU 36 HD22 LEU 36 1.024 9.748 -1.079 235 HD23 LEU 36 HD23 LEU 36 0.861 8.736 0.357 236 H1 MAN 101 H1 MAN 101 -8.950 6.158 2.136 237 H2 MAN 101 H2 MAN 101 -6.850 5.625 3.350 238 H3 MAN 101 H3 MAN 101 -6.858 3.231 2.947 239 H4 MAN 101 H4 MAN 101 -9.176 3.218 4.912 240 H5 MAN 101 H5 MAN 101 -9.122 2.486 1.909 241 H61 MAN 101 H61 MAN 101 -11.305 2.567 4.029 242 H62 MAN 101 H62 MAN 101 -10.779 1.153 3.076 243 HO2 MAN 101 HO2 MAN 101 -9.295 5.116 4.744 244 HO3 MAN 101 HO3 MAN 101 -7.171 3.865 5.696 245 HO4 MAN 101 HO4 MAN 101 -7.666 1.476 5.019 246 HO6 MAN 101 HO6 MAN 101 -11.659 3.464 1.717 Start of MODEL 17 1 H1 THR 1 H1 THR 1 -11.494 0.085 -4.921 2 H2 THR 1 H2 THR 1 -10.969 -1.382 -4.360 3 H3 THR 1 H3 THR 1 -11.099 -1.115 -6.042 4 HA THR 1 HA THR 1 -8.810 -0.947 -5.348 5 HB THR 1 HB THR 1 -8.513 1.538 -5.919 6 HG1 THR 1 HG1 THR 1 -10.831 1.991 -7.023 7 HG21 THR 1 HG21 THR 1 -10.067 -0.237 -7.815 8 HG22 THR 1 HG22 THR 1 -8.318 -0.263 -7.587 9 HG23 THR 1 HG23 THR 1 -9.096 1.159 -8.281 10 H GLN 2 H GLN 2 -7.247 0.076 -4.040 11 HA GLN 2 HA GLN 2 -8.212 0.758 -1.410 12 HB2 GLN 2 HB2 GLN 2 -6.341 -0.808 -1.632 13 HB3 GLN 2 HB3 GLN 2 -5.401 0.406 -2.489 14 HG2 GLN 2 HG2 GLN 2 -4.729 0.178 -0.155 15 HG3 GLN 2 HG3 GLN 2 -5.331 1.790 -0.537 16 HE21 GLN 2 HE21 GLN 2 -6.000 2.343 1.326 17 HE22 GLN 2 HE22 GLN 2 -7.271 1.610 2.274 18 H SER 3 H SER 3 -7.891 2.737 -0.365 19 HA SER 3 HA SER 3 -8.134 4.978 -2.061 20 HB2 SER 3 HB2 SER 3 -8.467 6.215 -0.034 21 HB3 SER 3 HB3 SER 3 -9.398 4.727 0.065 22 H HIS 4 H HIS 4 -7.033 6.949 -1.509 23 HA HIS 4 HA HIS 4 -4.191 6.776 -1.919 24 HB2 HIS 4 HB2 HIS 4 -5.701 8.501 -2.963 25 HB3 HIS 4 HB3 HIS 4 -5.966 9.157 -1.364 26 HD1 HIS 4 HD1 HIS 4 -4.967 11.416 -1.724 27 HD2 HIS 4 HD2 HIS 4 -2.395 8.358 -2.813 28 HE1 HIS 4 HE1 HIS 4 -2.775 12.530 -2.241 29 HE2 HIS 4 HE2 HIS 4 -1.442 10.705 -3.277 30 H TYR 5 H TYR 5 -2.643 6.993 -0.394 31 HA TYR 5 HA TYR 5 -1.594 7.176 1.533 32 HB2 TYR 5 HB2 TYR 5 -3.968 8.808 2.291 33 HB3 TYR 5 HB3 TYR 5 -2.823 8.347 3.551 34 HD1 TYR 5 HD1 TYR 5 -3.491 10.534 0.741 35 HD2 TYR 5 HD2 TYR 5 -0.468 9.148 3.377 36 HE1 TYR 5 HE1 TYR 5 -2.072 12.438 0.113 37 HE2 TYR 5 HE2 TYR 5 0.956 11.040 2.759 38 HH TYR 5 HH TYR 5 -0.231 13.706 1.034 39 H GLY 6 H GLY 6 -3.981 5.269 0.942 40 HA2 GLY 6 HA2 GLY 6 -4.232 4.069 3.570 41 HA3 GLY 6 HA3 GLY 6 -5.043 3.601 2.088 42 H GLN 7 H GLN 7 -3.799 1.738 3.767 43 HA GLN 7 HA GLN 7 -1.170 1.130 2.798 44 HB2 GLN 7 HB2 GLN 7 -2.116 0.567 5.096 45 HB3 GLN 7 HB3 GLN 7 -3.058 -0.683 4.296 46 HG2 GLN 7 HG2 GLN 7 -1.030 -1.786 3.579 47 HG3 GLN 7 HG3 GLN 7 -0.041 -0.532 4.315 48 HE21 GLN 7 HE21 GLN 7 0.073 -3.310 4.937 49 HE22 GLN 7 HE22 GLN 7 -0.389 -3.478 6.575 50 H CYS 8 H CYS 8 -0.742 0.063 0.948 51 HA CYS 8 HA CYS 8 -3.040 -1.137 -0.432 52 HB2 CYS 8 HB2 CYS 8 -1.661 -0.992 -2.447 53 HB3 CYS 8 HB3 CYS 8 -2.084 0.548 -1.719 54 H GLY 9 H GLY 9 -0.431 -2.292 1.286 55 HA2 GLY 9 HA2 GLY 9 -0.832 -4.859 1.115 56 HA3 GLY 9 HA3 GLY 9 -0.368 -4.586 -0.551 57 H GLY 10 H GLY 10 0.702 -4.453 2.731 58 HA2 GLY 10 HA2 GLY 10 3.464 -4.805 1.817 59 HA3 GLY 10 HA3 GLY 10 2.947 -4.443 3.464 60 H ILE 11 H ILE 11 4.493 -6.436 3.588 61 HA ILE 11 HA ILE 11 3.371 -8.987 3.129 62 HB ILE 11 HB ILE 11 5.287 -8.117 5.323 63 HG12 ILE 11 HG12 ILE 11 5.899 -9.351 2.637 64 HG13 ILE 11 HG13 ILE 11 6.094 -7.644 3.017 65 HG21 ILE 11 HG21 ILE 11 4.708 -10.878 4.234 66 HG22 ILE 11 HG22 ILE 11 4.238 -10.262 5.819 67 HG23 ILE 11 HG23 ILE 11 5.943 -10.475 5.429 68 HD11 ILE 11 HD11 ILE 11 7.555 -9.926 4.327 69 HD12 ILE 11 HD12 ILE 11 7.766 -8.215 4.698 70 HD13 ILE 11 HD13 ILE 11 8.218 -8.839 3.105 71 H GLY 12 H GLY 12 1.483 -9.680 3.981 72 HA2 GLY 12 HA2 GLY 12 0.327 -10.438 5.871 73 HA3 GLY 12 HA3 GLY 12 1.065 -9.151 6.801 74 H TYR 13 H TYR 13 -0.027 -7.900 3.897 75 HA TYR 13 HA TYR 13 -2.332 -6.805 5.285 76 HB2 TYR 13 HB2 TYR 13 -0.807 -5.248 4.078 77 HB3 TYR 13 HB3 TYR 13 -1.246 -6.064 2.580 78 HD1 TYR 13 HD1 TYR 13 -2.853 -4.973 1.263 79 HD2 TYR 13 HD2 TYR 13 -2.984 -4.480 5.484 80 HE1 TYR 13 HE1 TYR 13 -4.749 -3.429 1.030 81 HE2 TYR 13 HE2 TYR 13 -4.888 -2.935 5.233 82 HH TYR 13 HH TYR 13 -6.325 -2.290 2.088 83 H SER 14 H SER 14 -4.100 -7.933 5.166 84 HA SER 14 HA SER 14 -4.540 -9.831 3.049 85 HB2 SER 14 HB2 SER 14 -6.208 -9.201 5.469 86 HB3 SER 14 HB3 SER 14 -6.202 -10.690 4.520 87 HG SER 14 HG SER 14 -4.618 -11.364 5.668 88 H GLY 15 H GLY 15 -5.282 -6.616 3.492 89 HA2 GLY 15 HA2 GLY 15 -7.999 -6.647 2.508 90 HA3 GLY 15 HA3 GLY 15 -7.028 -5.224 2.849 91 HA PRO 16 HA PRO 16 -7.431 -5.550 -1.759 92 HB2 PRO 16 HB2 PRO 16 -7.957 -2.900 -2.150 93 HB3 PRO 16 HB3 PRO 16 -9.201 -4.107 -1.799 94 HG2 PRO 16 HG2 PRO 16 -7.934 -2.111 -0.004 95 HG3 PRO 16 HG3 PRO 16 -9.611 -2.671 -0.061 96 HD2 PRO 16 HD2 PRO 16 -7.759 -3.516 1.769 97 HD3 PRO 16 HD3 PRO 16 -9.172 -4.466 1.289 98 H THR 17 H THR 17 -5.679 -5.398 -3.059 99 HA THR 17 HA THR 17 -3.476 -3.722 -2.131 100 HB THR 17 HB THR 17 -2.092 -5.326 -3.534 101 HG1 THR 17 HG1 THR 17 -2.993 -7.099 -4.280 102 HG21 THR 17 HG21 THR 17 -2.056 -7.025 -1.752 103 HG22 THR 17 HG22 THR 17 -3.617 -6.437 -1.170 104 HG23 THR 17 HG23 THR 17 -2.200 -5.397 -1.080 105 H VAL 18 H VAL 18 -5.811 -3.424 -4.318 106 HA VAL 18 HA VAL 18 -4.003 -2.458 -6.416 107 HB VAL 18 HB VAL 18 -6.976 -3.032 -6.633 108 HG11 VAL 18 HG11 VAL 18 -4.945 -2.348 -8.757 109 HG12 VAL 18 HG12 VAL 18 -6.241 -1.300 -8.179 110 HG13 VAL 18 HG13 VAL 18 -6.629 -2.783 -9.053 111 HG21 VAL 18 HG21 VAL 18 -6.322 -4.985 -7.966 112 HG22 VAL 18 HG22 VAL 18 -5.689 -5.087 -6.321 113 HG23 VAL 18 HG23 VAL 18 -4.624 -4.632 -7.647 114 H CYS 19 H CYS 19 -3.575 -0.382 -6.154 115 HA CYS 19 HA CYS 19 -5.143 1.370 -4.627 116 HB2 CYS 19 HB2 CYS 19 -2.900 1.871 -6.561 117 HB3 CYS 19 HB3 CYS 19 -3.594 3.083 -5.494 118 H ALA 20 H ALA 20 -6.296 3.160 -5.237 119 HA ALA 20 HA ALA 20 -8.039 2.904 -7.407 120 HB1 ALA 20 HB1 ALA 20 -8.591 4.097 -5.357 121 HB2 ALA 20 HB2 ALA 20 -8.792 5.132 -6.773 122 HB3 ALA 20 HB3 ALA 20 -7.378 5.319 -5.736 123 H SER 21 H SER 21 -8.310 4.313 -9.192 124 HA SER 21 HA SER 21 -6.052 4.599 -10.790 125 HB2 SER 21 HB2 SER 21 -8.702 6.029 -11.022 126 HB3 SER 21 HB3 SER 21 -7.554 5.724 -12.329 127 HG SER 21 HG SER 21 -7.874 3.397 -11.485 128 H GLY 22 H GLY 22 -4.462 6.025 -10.672 129 HA2 GLY 22 HA2 GLY 22 -3.781 8.328 -10.819 130 HA3 GLY 22 HA3 GLY 22 -5.048 8.716 -9.661 131 H THR 23 H THR 23 -4.053 6.001 -8.379 132 HA THR 23 HA THR 23 -1.851 7.278 -6.916 133 HB THR 23 HB THR 23 -2.552 6.039 -4.903 134 HG1 THR 23 HG1 THR 23 -4.469 5.028 -6.691 135 HG21 THR 23 HG21 THR 23 -4.758 7.702 -6.115 136 HG22 THR 23 HG22 THR 23 -3.374 8.310 -5.205 137 HG23 THR 23 HG23 THR 23 -4.593 7.316 -4.402 138 H THR 24 H THR 24 -0.115 5.973 -6.306 139 HA THR 24 HA THR 24 -0.058 3.374 -7.672 140 HB THR 24 HB THR 24 2.432 3.684 -7.770 141 HG1 THR 24 HG1 THR 24 1.740 6.186 -6.604 142 HG21 THR 24 HG21 THR 24 2.399 5.278 -9.654 143 HG22 THR 24 HG22 THR 24 0.788 5.803 -9.167 144 HG23 THR 24 HG23 THR 24 1.043 4.153 -9.730 145 H CYS 25 H CYS 25 0.762 1.578 -6.542 146 HA CYS 25 HA CYS 25 0.678 1.874 -3.686 147 HB2 CYS 25 HB2 CYS 25 -0.349 -0.093 -4.731 148 HB3 CYS 25 HB3 CYS 25 1.206 -0.575 -5.397 149 H GLN 26 H GLN 26 2.366 2.578 -2.664 150 HA GLN 26 HA GLN 26 4.959 1.916 -3.770 151 HB2 GLN 26 HB2 GLN 26 4.127 4.223 -2.032 152 HB3 GLN 26 HB3 GLN 26 5.766 3.928 -2.596 153 HG2 GLN 26 HG2 GLN 26 4.925 4.074 -4.930 154 HG3 GLN 26 HG3 GLN 26 3.349 4.522 -4.287 155 HE21 GLN 26 HE21 GLN 26 3.401 6.482 -5.338 156 HE22 GLN 26 HE22 GLN 26 4.394 7.781 -4.807 157 H VAL 27 H VAL 27 5.917 0.381 -2.747 158 HA VAL 27 HA VAL 27 5.213 -0.373 -0.067 159 HB VAL 27 HB VAL 27 7.535 -1.378 -1.751 160 HG11 VAL 27 HG11 VAL 27 6.087 -2.662 0.567 161 HG12 VAL 27 HG12 VAL 27 7.698 -1.957 0.614 162 HG13 VAL 27 HG13 VAL 27 7.396 -3.392 -0.360 163 HG21 VAL 27 HG21 VAL 27 5.468 -1.674 -3.002 164 HG22 VAL 27 HG22 VAL 27 4.723 -2.463 -1.611 165 HG23 VAL 27 HG23 VAL 27 6.075 -3.231 -2.440 166 H LEU 28 H LEU 28 5.850 0.933 1.454 167 HA LEU 28 HA LEU 28 8.247 2.551 1.156 168 HB2 LEU 28 HB2 LEU 28 6.094 2.555 3.262 169 HB3 LEU 28 HB3 LEU 28 7.390 3.731 3.143 170 HG LEU 28 HG LEU 28 5.222 3.333 1.067 171 HD11 LEU 28 HD11 LEU 28 5.596 5.484 3.133 172 HD12 LEU 28 HD12 LEU 28 4.307 4.275 3.086 173 HD13 LEU 28 HD13 LEU 28 4.406 5.507 1.832 174 HD21 LEU 28 HD21 LEU 28 7.294 4.136 0.108 175 HD22 LEU 28 HD22 LEU 28 7.371 5.391 1.355 176 HD23 LEU 28 HD23 LEU 28 6.079 5.426 0.151 177 H ASN 29 H ASN 29 6.962 -0.030 3.070 178 HA ASN 29 HA ASN 29 9.578 -0.587 4.194 179 HB2 ASN 29 HB2 ASN 29 7.010 -0.389 5.835 180 HB3 ASN 29 HB3 ASN 29 8.532 -1.012 6.422 181 HD21 ASN 29 HD21 ASN 29 6.750 1.826 5.601 182 HD22 ASN 29 HD22 ASN 29 7.806 2.974 6.322 183 HA PRO 30 HA PRO 30 8.428 -4.758 3.159 184 HB2 PRO 30 HB2 PRO 30 8.401 -5.543 6.016 185 HB3 PRO 30 HB3 PRO 30 9.232 -6.313 4.658 186 HG2 PRO 30 HG2 PRO 30 10.621 -4.849 6.376 187 HG3 PRO 30 HG3 PRO 30 10.946 -4.730 4.637 188 HD2 PRO 30 HD2 PRO 30 9.470 -2.851 6.422 189 HD3 PRO 30 HD3 PRO 30 10.556 -2.489 5.066 190 H TYR 31 H TYR 31 6.680 -3.677 6.102 191 HA TYR 31 HA TYR 31 4.407 -5.308 5.211 192 HB2 TYR 31 HB2 TYR 31 4.644 -3.880 7.874 193 HB3 TYR 31 HB3 TYR 31 3.551 -5.177 7.438 194 HD1 TYR 31 HD1 TYR 31 6.798 -4.337 8.742 195 HD2 TYR 31 HD2 TYR 31 4.490 -7.502 7.096 196 HE1 TYR 31 HE1 TYR 31 8.402 -5.944 9.621 197 HE2 TYR 31 HE2 TYR 31 6.100 -9.135 7.985 198 HH TYR 31 HH TYR 31 8.614 -9.035 8.608 199 H TYR 32 H TYR 32 5.496 -2.063 5.623 200 HA TYR 32 HA TYR 32 2.810 -1.021 5.304 201 HB2 TYR 32 HB2 TYR 32 4.280 -0.034 7.027 202 HB3 TYR 32 HB3 TYR 32 5.345 0.537 5.748 203 HD1 TYR 32 HD1 TYR 32 1.711 0.618 6.541 204 HD2 TYR 32 HD2 TYR 32 5.133 2.752 5.173 205 HE1 TYR 32 HE1 TYR 32 0.380 2.657 6.404 206 HE2 TYR 32 HE2 TYR 32 3.824 4.787 5.037 207 HH TYR 32 HH TYR 32 1.452 5.463 4.825 208 H SER 33 H SER 33 2.047 -0.710 3.400 209 HA SER 33 HA SER 33 3.750 0.497 1.353 210 HB2 SER 33 HB2 SER 33 1.628 -1.622 0.858 211 HB3 SER 33 HB3 SER 33 2.655 -0.868 -0.359 212 HG SER 33 HG SER 33 3.297 -3.008 0.442 213 H GLN 34 H GLN 34 2.632 2.139 0.235 214 HA GLN 34 HA GLN 34 -0.098 2.629 1.170 215 HB2 GLN 34 HB2 GLN 34 1.177 3.906 2.687 216 HB3 GLN 34 HB3 GLN 34 2.274 4.450 1.431 217 HG2 GLN 34 HG2 GLN 34 0.556 5.888 0.521 218 HG3 GLN 34 HG3 GLN 34 -0.606 5.255 1.684 219 HE21 GLN 34 HE21 GLN 34 -0.663 6.081 3.724 220 HE22 GLN 34 HE22 GLN 34 0.383 7.339 4.258 221 H CYS 35 H CYS 35 -1.453 3.476 -0.297 222 HA CYS 35 HA CYS 35 -0.594 3.723 -3.022 223 HB2 CYS 35 HB2 CYS 35 -3.256 4.404 -1.757 224 HB3 CYS 35 HB3 CYS 35 -2.935 4.400 -3.483 225 H LEU 36 H LEU 36 0.573 5.399 -3.536 226 HA LEU 36 HA LEU 36 -0.367 8.033 -2.735 227 HB2 LEU 36 HB2 LEU 36 2.452 7.112 -3.306 228 HB3 LEU 36 HB3 LEU 36 1.990 8.795 -3.141 229 HG LEU 36 HG LEU 36 1.749 6.714 -0.968 230 HD11 LEU 36 HD11 LEU 36 3.594 7.909 0.094 231 HD12 LEU 36 HD12 LEU 36 3.735 8.947 -1.323 232 HD13 LEU 36 HD13 LEU 36 4.067 7.218 -1.458 233 HD21 LEU 36 HD21 LEU 36 1.308 8.664 0.477 234 HD22 LEU 36 HD22 LEU 36 0.063 8.436 -0.740 235 HD23 LEU 36 HD23 LEU 36 1.277 9.698 -0.952 236 H1 MAN 101 H1 MAN 101 -8.532 6.410 2.197 237 H2 MAN 101 H2 MAN 101 -6.452 5.637 3.373 238 H3 MAN 101 H3 MAN 101 -6.776 3.231 3.155 239 H4 MAN 101 H4 MAN 101 -9.121 3.640 5.048 240 H5 MAN 101 H5 MAN 101 -8.998 2.759 2.122 241 H61 MAN 101 H61 MAN 101 -10.834 1.718 3.435 242 H62 MAN 101 H62 MAN 101 -11.395 2.771 2.121 243 HO2 MAN 101 HO2 MAN 101 -8.071 6.834 4.436 244 HO3 MAN 101 HO3 MAN 101 -6.978 4.147 5.843 245 HO4 MAN 101 HO4 MAN 101 -7.856 1.745 5.284 246 HO6 MAN 101 HO6 MAN 101 -11.426 4.478 3.821 Start of MODEL 18 1 H1 THR 1 H1 THR 1 -11.771 0.636 -5.272 2 H2 THR 1 H2 THR 1 -11.504 -0.926 -4.686 3 H3 THR 1 H3 THR 1 -11.565 -0.652 -6.351 4 HA THR 1 HA THR 1 -9.302 -0.883 -5.560 5 HB THR 1 HB THR 1 -8.495 1.445 -6.234 6 HG1 THR 1 HG1 THR 1 -10.294 2.580 -7.380 7 HG21 THR 1 HG21 THR 1 -10.341 -0.056 -8.098 8 HG22 THR 1 HG22 THR 1 -8.633 -0.410 -7.811 9 HG23 THR 1 HG23 THR 1 -9.103 1.108 -8.571 10 H GLN 2 H GLN 2 -7.635 -0.159 -4.185 11 HA GLN 2 HA GLN 2 -8.481 0.607 -1.587 12 HB2 GLN 2 HB2 GLN 2 -6.581 -0.929 -1.947 13 HB3 GLN 2 HB3 GLN 2 -5.701 0.346 -2.773 14 HG2 GLN 2 HG2 GLN 2 -4.946 0.007 -0.477 15 HG3 GLN 2 HG3 GLN 2 -5.566 1.630 -0.766 16 HE21 GLN 2 HE21 GLN 2 -6.197 2.129 1.082 17 HE22 GLN 2 HE22 GLN 2 -7.363 1.356 2.124 18 H SER 3 H SER 3 -8.103 2.536 -0.461 19 HA SER 3 HA SER 3 -8.489 4.809 -2.115 20 HB2 SER 3 HB2 SER 3 -8.998 5.940 -0.059 21 HB3 SER 3 HB3 SER 3 -9.745 4.351 -0.020 22 H HIS 4 H HIS 4 -7.443 6.827 -1.469 23 HA HIS 4 HA HIS 4 -4.616 6.680 -1.903 24 HB2 HIS 4 HB2 HIS 4 -6.106 8.479 -2.851 25 HB3 HIS 4 HB3 HIS 4 -6.367 9.079 -1.232 26 HD1 HIS 4 HD1 HIS 4 -5.360 11.385 -1.958 27 HD2 HIS 4 HD2 HIS 4 -2.708 8.209 -2.250 28 HE1 HIS 4 HE1 HIS 4 -3.113 12.414 -2.393 29 HE2 HIS 4 HE2 HIS 4 -1.590 10.462 -2.784 30 H TYR 5 H TYR 5 -3.033 6.875 -0.415 31 HA TYR 5 HA TYR 5 -1.956 7.004 1.496 32 HB2 TYR 5 HB2 TYR 5 -4.407 8.434 2.408 33 HB3 TYR 5 HB3 TYR 5 -3.128 8.017 3.549 34 HD1 TYR 5 HD1 TYR 5 -4.313 10.368 1.179 35 HD2 TYR 5 HD2 TYR 5 -0.791 8.871 2.991 36 HE1 TYR 5 HE1 TYR 5 -3.152 12.440 0.625 37 HE2 TYR 5 HE2 TYR 5 0.390 10.939 2.444 38 HH TYR 5 HH TYR 5 -1.202 13.697 1.645 39 H GLY 6 H GLY 6 -4.148 4.936 0.833 40 HA2 GLY 6 HA2 GLY 6 -4.391 3.723 3.468 41 HA3 GLY 6 HA3 GLY 6 -5.098 3.165 1.964 42 H GLN 7 H GLN 7 -3.557 1.625 3.903 43 HA GLN 7 HA GLN 7 -1.006 1.102 2.776 44 HB2 GLN 7 HB2 GLN 7 -1.691 0.612 5.140 45 HB3 GLN 7 HB3 GLN 7 -2.730 -0.677 4.542 46 HG2 GLN 7 HG2 GLN 7 -0.799 -1.909 3.777 47 HG3 GLN 7 HG3 GLN 7 0.274 -0.580 4.212 48 HE21 GLN 7 HE21 GLN 7 0.473 -3.273 5.210 49 HE22 GLN 7 HE22 GLN 7 0.199 -3.187 6.892 50 H CYS 8 H CYS 8 -0.597 -0.053 0.987 51 HA CYS 8 HA CYS 8 -2.931 -1.197 -0.377 52 HB2 CYS 8 HB2 CYS 8 -1.610 -0.963 -2.406 53 HB3 CYS 8 HB3 CYS 8 -1.853 0.554 -1.545 54 H GLY 9 H GLY 9 -0.791 -2.569 1.510 55 HA2 GLY 9 HA2 GLY 9 -1.073 -5.090 1.236 56 HA3 GLY 9 HA3 GLY 9 -0.541 -4.806 -0.402 57 H GLY 10 H GLY 10 0.579 -4.050 2.846 58 HA2 GLY 10 HA2 GLY 10 3.268 -4.726 2.031 59 HA3 GLY 10 HA3 GLY 10 2.759 -4.211 3.645 60 H ILE 11 H ILE 11 4.365 -6.355 3.627 61 HA ILE 11 HA ILE 11 3.169 -8.852 3.301 62 HB ILE 11 HB ILE 11 5.239 -8.100 5.394 63 HG12 ILE 11 HG12 ILE 11 5.609 -9.166 2.581 64 HG13 ILE 11 HG13 ILE 11 5.926 -7.514 3.094 65 HG21 ILE 11 HG21 ILE 11 4.531 -10.789 4.210 66 HG22 ILE 11 HG22 ILE 11 4.186 -10.258 5.856 67 HG23 ILE 11 HG23 ILE 11 5.856 -10.487 5.334 68 HD11 ILE 11 HD11 ILE 11 7.984 -8.796 2.912 69 HD12 ILE 11 HD12 ILE 11 7.358 -9.970 4.074 70 HD13 ILE 11 HD13 ILE 11 7.684 -8.313 4.584 71 H GLY 12 H GLY 12 1.306 -9.457 4.145 72 HA2 GLY 12 HA2 GLY 12 0.255 -10.372 6.100 73 HA3 GLY 12 HA3 GLY 12 0.887 -9.014 7.014 74 H TYR 13 H TYR 13 0.033 -7.405 4.423 75 HA TYR 13 HA TYR 13 -2.581 -6.781 5.542 76 HB2 TYR 13 HB2 TYR 13 -1.096 -4.911 4.894 77 HB3 TYR 13 HB3 TYR 13 -1.104 -5.480 3.232 78 HD1 TYR 13 HD1 TYR 13 -2.976 -4.943 1.755 79 HD2 TYR 13 HD2 TYR 13 -3.146 -3.941 5.891 80 HE1 TYR 13 HE1 TYR 13 -4.930 -3.540 1.319 81 HE2 TYR 13 HE2 TYR 13 -5.111 -2.530 5.463 82 HH TYR 13 HH TYR 13 -6.643 -2.431 2.277 83 H SER 14 H SER 14 -4.167 -7.962 4.961 84 HA SER 14 HA SER 14 -4.150 -9.274 2.342 85 HB2 SER 14 HB2 SER 14 -5.637 -9.973 4.868 86 HB3 SER 14 HB3 SER 14 -5.458 -10.984 3.427 87 HG SER 14 HG SER 14 -3.046 -10.348 4.057 88 H GLY 15 H GLY 15 -5.043 -6.550 2.899 89 HA2 GLY 15 HA2 GLY 15 -7.938 -6.709 2.431 90 HA3 GLY 15 HA3 GLY 15 -7.027 -5.258 2.829 91 HA PRO 16 HA PRO 16 -7.725 -5.111 -1.770 92 HB2 PRO 16 HB2 PRO 16 -7.918 -2.239 -1.021 93 HB3 PRO 16 HB3 PRO 16 -8.960 -3.185 -2.092 94 HG2 PRO 16 HG2 PRO 16 -9.793 -2.467 0.316 95 HG3 PRO 16 HG3 PRO 16 -10.177 -4.075 -0.327 96 HD2 PRO 16 HD2 PRO 16 -8.090 -3.291 1.678 97 HD3 PRO 16 HD3 PRO 16 -9.169 -4.695 1.672 98 H THR 17 H THR 17 -5.831 -5.214 -2.790 99 HA THR 17 HA THR 17 -3.589 -3.551 -1.878 100 HB THR 17 HB THR 17 -2.202 -5.306 -3.015 101 HG1 THR 17 HG1 THR 17 -3.201 -7.219 -3.561 102 HG21 THR 17 HG21 THR 17 -4.058 -6.250 -0.827 103 HG22 THR 17 HG22 THR 17 -2.595 -5.294 -0.597 104 HG23 THR 17 HG23 THR 17 -2.481 -6.948 -1.210 105 H VAL 18 H VAL 18 -5.824 -3.480 -4.178 106 HA VAL 18 HA VAL 18 -3.954 -2.493 -6.215 107 HB VAL 18 HB VAL 18 -6.886 -3.205 -6.574 108 HG11 VAL 18 HG11 VAL 18 -6.184 -1.451 -8.108 109 HG12 VAL 18 HG12 VAL 18 -6.422 -2.959 -8.990 110 HG13 VAL 18 HG13 VAL 18 -4.793 -2.414 -8.603 111 HG21 VAL 18 HG21 VAL 18 -5.516 -5.193 -6.197 112 HG22 VAL 18 HG22 VAL 18 -4.412 -4.686 -7.475 113 HG23 VAL 18 HG23 VAL 18 -6.075 -5.128 -7.866 114 H CYS 19 H CYS 19 -3.638 -0.415 -6.014 115 HA CYS 19 HA CYS 19 -5.339 1.317 -4.567 116 HB2 CYS 19 HB2 CYS 19 -2.999 1.894 -6.361 117 HB3 CYS 19 HB3 CYS 19 -3.733 3.016 -5.220 118 H ALA 20 H ALA 20 -6.357 3.181 -5.314 119 HA ALA 20 HA ALA 20 -7.914 2.955 -7.626 120 HB1 ALA 20 HB1 ALA 20 -8.572 5.272 -7.125 121 HB2 ALA 20 HB2 ALA 20 -7.272 5.381 -5.936 122 HB3 ALA 20 HB3 ALA 20 -8.605 4.254 -5.688 123 H SER 21 H SER 21 -7.783 4.032 -9.593 124 HA SER 21 HA SER 21 -5.271 4.407 -10.720 125 HB2 SER 21 HB2 SER 21 -7.926 5.542 -11.630 126 HB3 SER 21 HB3 SER 21 -6.456 5.489 -12.604 127 HG SER 21 HG SER 21 -7.215 3.634 -13.190 128 H GLY 22 H GLY 22 -3.859 5.956 -10.526 129 HA2 GLY 22 HA2 GLY 22 -3.328 8.313 -10.651 130 HA3 GLY 22 HA3 GLY 22 -4.777 8.621 -9.698 131 H THR 23 H THR 23 -3.816 5.977 -8.257 132 HA THR 23 HA THR 23 -1.832 7.350 -6.609 133 HB THR 23 HB THR 23 -2.615 6.107 -4.661 134 HG1 THR 23 HG1 THR 23 -4.370 4.942 -6.538 135 HG21 THR 23 HG21 THR 23 -4.831 7.616 -6.039 136 HG22 THR 23 HG22 THR 23 -3.585 8.292 -4.983 137 HG23 THR 23 HG23 THR 23 -4.809 7.208 -4.325 138 H THR 24 H THR 24 -0.107 6.181 -5.951 139 HA THR 24 HA THR 24 0.247 3.681 -7.434 140 HB THR 24 HB THR 24 2.746 4.197 -7.065 141 HG1 THR 24 HG1 THR 24 1.606 6.515 -6.022 142 HG21 THR 24 HG21 THR 24 1.679 4.278 -9.252 143 HG22 THR 24 HG22 THR 24 2.809 5.622 -9.083 144 HG23 THR 24 HG23 THR 24 1.074 5.899 -8.922 145 H CYS 25 H CYS 25 0.561 1.853 -6.346 146 HA CYS 25 HA CYS 25 0.691 1.882 -3.491 147 HB2 CYS 25 HB2 CYS 25 -0.489 0.038 -4.562 148 HB3 CYS 25 HB3 CYS 25 0.935 -0.451 -5.455 149 H GLN 26 H GLN 26 2.468 2.760 -2.757 150 HA GLN 26 HA GLN 26 4.998 1.958 -3.916 151 HB2 GLN 26 HB2 GLN 26 4.324 4.195 -2.014 152 HB3 GLN 26 HB3 GLN 26 5.936 3.843 -2.629 153 HG2 GLN 26 HG2 GLN 26 5.169 4.254 -4.899 154 HG3 GLN 26 HG3 GLN 26 3.548 4.577 -4.297 155 HE21 GLN 26 HE21 GLN 26 3.520 6.594 -5.107 156 HE22 GLN 26 HE22 GLN 26 4.436 7.904 -4.469 157 H VAL 27 H VAL 27 5.986 0.382 -3.022 158 HA VAL 27 HA VAL 27 5.403 -0.438 -0.335 159 HB VAL 27 HB VAL 27 7.615 -1.463 -2.148 160 HG11 VAL 27 HG11 VAL 27 7.930 -1.980 0.210 161 HG12 VAL 27 HG12 VAL 27 7.555 -3.450 -0.702 162 HG13 VAL 27 HG13 VAL 27 6.315 -2.672 0.287 163 HG21 VAL 27 HG21 VAL 27 4.813 -2.538 -1.767 164 HG22 VAL 27 HG22 VAL 27 6.090 -3.309 -2.710 165 HG23 VAL 27 HG23 VAL 27 5.432 -1.754 -3.220 166 H LEU 28 H LEU 28 5.980 1.085 0.970 167 HA LEU 28 HA LEU 28 8.432 2.565 0.795 168 HB2 LEU 28 HB2 LEU 28 6.288 2.481 2.934 169 HB3 LEU 28 HB3 LEU 28 7.588 3.649 2.851 170 HG LEU 28 HG LEU 28 5.504 3.360 0.681 171 HD11 LEU 28 HD11 LEU 28 5.599 5.357 2.939 172 HD12 LEU 28 HD12 LEU 28 4.417 4.059 2.755 173 HD13 LEU 28 HD13 LEU 28 4.468 5.369 1.589 174 HD21 LEU 28 HD21 LEU 28 7.592 4.361 -0.043 175 HD22 LEU 28 HD22 LEU 28 7.517 5.480 1.322 176 HD23 LEU 28 HD23 LEU 28 6.313 5.582 0.032 177 H ASN 29 H ASN 29 7.099 0.031 2.794 178 HA ASN 29 HA ASN 29 9.751 -0.697 3.716 179 HB2 ASN 29 HB2 ASN 29 7.323 -0.367 5.536 180 HB3 ASN 29 HB3 ASN 29 8.851 -1.066 6.011 181 HD21 ASN 29 HD21 ASN 29 7.154 1.875 5.330 182 HD22 ASN 29 HD22 ASN 29 8.334 2.955 5.964 183 HA PRO 30 HA PRO 30 8.313 -4.782 2.748 184 HB2 PRO 30 HB2 PRO 30 8.565 -5.610 5.603 185 HB3 PRO 30 HB3 PRO 30 9.216 -6.380 4.152 186 HG2 PRO 30 HG2 PRO 30 10.826 -4.989 5.713 187 HG3 PRO 30 HG3 PRO 30 10.942 -4.836 3.950 188 HD2 PRO 30 HD2 PRO 30 9.692 -2.977 5.924 189 HD3 PRO 30 HD3 PRO 30 10.680 -2.594 4.498 190 H TYR 31 H TYR 31 6.949 -3.701 5.880 191 HA TYR 31 HA TYR 31 4.505 -5.172 5.196 192 HB2 TYR 31 HB2 TYR 31 5.144 -3.779 7.817 193 HB3 TYR 31 HB3 TYR 31 3.872 -4.948 7.508 194 HD1 TYR 31 HD1 TYR 31 4.393 -7.330 7.307 195 HD2 TYR 31 HD2 TYR 31 7.444 -4.502 8.173 196 HE1 TYR 31 HE1 TYR 31 5.894 -9.151 7.982 197 HE2 TYR 31 HE2 TYR 31 8.941 -6.292 8.842 198 HH TYR 31 HH TYR 31 8.752 -8.625 9.664 199 H TYR 32 H TYR 32 5.792 -1.956 5.573 200 HA TYR 32 HA TYR 32 3.113 -0.864 5.336 201 HB2 TYR 32 HB2 TYR 32 4.649 0.154 6.994 202 HB3 TYR 32 HB3 TYR 32 5.706 0.649 5.681 203 HD1 TYR 32 HD1 TYR 32 5.600 2.915 5.237 204 HD2 TYR 32 HD2 TYR 32 2.036 0.844 6.340 205 HE1 TYR 32 HE1 TYR 32 4.354 4.975 5.045 206 HE2 TYR 32 HE2 TYR 32 0.765 2.921 6.133 207 HH TYR 32 HH TYR 32 2.046 5.700 4.658 208 H SER 33 H SER 33 2.305 -0.618 3.427 209 HA SER 33 HA SER 33 3.944 0.513 1.295 210 HB2 SER 33 HB2 SER 33 1.944 -1.762 0.952 211 HB3 SER 33 HB3 SER 33 2.937 -1.043 -0.319 212 HG SER 33 HG SER 33 4.572 -1.812 1.617 213 H GLN 34 H GLN 34 2.702 2.090 0.139 214 HA GLN 34 HA GLN 34 -0.023 2.437 1.171 215 HB2 GLN 34 HB2 GLN 34 1.524 3.680 2.621 216 HB3 GLN 34 HB3 GLN 34 2.124 4.559 1.229 217 HG2 GLN 34 HG2 GLN 34 -0.029 5.594 0.919 218 HG3 GLN 34 HG3 GLN 34 -0.706 4.650 2.240 219 HE21 GLN 34 HE21 GLN 34 -1.227 6.311 3.582 220 HE22 GLN 34 HE22 GLN 34 -0.075 7.383 4.277 221 H CYS 35 H CYS 35 -1.443 3.320 -0.263 222 HA CYS 35 HA CYS 35 -0.607 3.741 -2.989 223 HB2 CYS 35 HB2 CYS 35 -3.269 4.428 -1.736 224 HB3 CYS 35 HB3 CYS 35 -2.893 4.277 -3.447 225 H LEU 36 H LEU 36 0.515 5.509 -3.349 226 HA LEU 36 HA LEU 36 -0.447 7.988 -2.168 227 HB2 LEU 36 HB2 LEU 36 2.316 7.204 -3.086 228 HB3 LEU 36 HB3 LEU 36 1.880 8.841 -2.635 229 HG LEU 36 HG LEU 36 1.698 6.472 -0.763 230 HD11 LEU 36 HD11 LEU 36 3.797 8.611 -0.986 231 HD12 LEU 36 HD12 LEU 36 4.017 6.895 -1.337 232 HD13 LEU 36 HD13 LEU 36 3.682 7.427 0.314 233 HD21 LEU 36 HD21 LEU 36 1.489 8.202 0.962 234 HD22 LEU 36 HD22 LEU 36 0.166 8.266 -0.195 235 HD23 LEU 36 HD23 LEU 36 1.474 9.443 -0.290 236 H1 MAN 101 H1 MAN 101 -9.275 5.945 2.252 237 H2 MAN 101 H2 MAN 101 -7.172 5.537 3.495 238 H3 MAN 101 H3 MAN 101 -6.876 3.213 2.911 239 H4 MAN 101 H4 MAN 101 -9.255 2.660 4.746 240 H5 MAN 101 H5 MAN 101 -9.001 2.356 1.705 241 H61 MAN 101 H61 MAN 101 -10.474 0.748 2.785 242 H62 MAN 101 H62 MAN 101 -11.370 1.875 1.732 243 HO2 MAN 101 HO2 MAN 101 -9.103 6.123 4.619 244 HO3 MAN 101 HO3 MAN 101 -6.082 3.996 5.016 245 HO4 MAN 101 HO4 MAN 101 -7.623 1.109 4.696 246 HO6 MAN 101 HO6 MAN 101 -11.256 2.983 4.133 Start of MODEL 19 1 H1 THR 1 H1 THR 1 -11.441 -0.545 -6.244 2 H2 THR 1 H2 THR 1 -11.690 0.656 -5.060 3 H3 THR 1 H3 THR 1 -11.322 -0.920 -4.606 4 HA THR 1 HA THR 1 -9.163 -0.778 -5.454 5 HB THR 1 HB THR 1 -8.355 1.478 -6.196 6 HG1 THR 1 HG1 THR 1 -10.945 2.137 -6.989 7 HG21 THR 1 HG21 THR 1 -10.414 0.136 -7.956 8 HG22 THR 1 HG22 THR 1 -8.705 -0.300 -7.822 9 HG23 THR 1 HG23 THR 1 -9.173 1.266 -8.497 10 H GLN 2 H GLN 2 -7.532 -0.099 -4.105 11 HA GLN 2 HA GLN 2 -8.320 0.669 -1.512 12 HB2 GLN 2 HB2 GLN 2 -6.416 -0.860 -1.954 13 HB3 GLN 2 HB3 GLN 2 -5.552 0.451 -2.736 14 HG2 GLN 2 HG2 GLN 2 -4.785 0.052 -0.444 15 HG3 GLN 2 HG3 GLN 2 -5.430 1.671 -0.695 16 HE21 GLN 2 HE21 GLN 2 -6.009 2.066 1.246 17 HE22 GLN 2 HE22 GLN 2 -7.220 1.230 2.185 18 H SER 3 H SER 3 -7.924 2.593 -0.422 19 HA SER 3 HA SER 3 -8.238 4.859 -2.114 20 HB2 SER 3 HB2 SER 3 -8.783 6.001 -0.036 21 HB3 SER 3 HB3 SER 3 -9.663 4.477 -0.156 22 H HIS 4 H HIS 4 -7.237 6.864 -1.171 23 HA HIS 4 HA HIS 4 -4.408 6.699 -1.743 24 HB2 HIS 4 HB2 HIS 4 -5.922 8.439 -2.723 25 HB3 HIS 4 HB3 HIS 4 -6.152 9.120 -1.135 26 HD1 HIS 4 HD1 HIS 4 -5.146 11.396 -1.772 27 HD2 HIS 4 HD2 HIS 4 -2.586 8.220 -2.469 28 HE1 HIS 4 HE1 HIS 4 -2.948 12.440 -2.349 29 HE2 HIS 4 HE2 HIS 4 -1.603 10.487 -3.174 30 H TYR 5 H TYR 5 -2.808 6.920 -0.223 31 HA TYR 5 HA TYR 5 -1.745 7.008 1.705 32 HB2 TYR 5 HB2 TYR 5 -4.111 8.626 2.518 33 HB3 TYR 5 HB3 TYR 5 -2.969 8.119 3.767 34 HD1 TYR 5 HD1 TYR 5 -3.526 10.285 0.872 35 HD2 TYR 5 HD2 TYR 5 -0.688 9.004 3.760 36 HE1 TYR 5 HE1 TYR 5 -2.080 12.177 0.287 37 HE2 TYR 5 HE2 TYR 5 0.768 10.887 3.189 38 HH TYR 5 HH TYR 5 1.165 12.375 1.276 39 H GLY 6 H GLY 6 -4.066 5.088 1.013 40 HA2 GLY 6 HA2 GLY 6 -4.324 3.777 3.586 41 HA3 GLY 6 HA3 GLY 6 -5.119 3.344 2.083 42 H GLN 7 H GLN 7 -3.791 1.448 3.683 43 HA GLN 7 HA GLN 7 -1.183 1.020 2.575 44 HB2 GLN 7 HB2 GLN 7 -1.662 0.437 4.926 45 HB3 GLN 7 HB3 GLN 7 -2.877 -0.710 4.398 46 HG2 GLN 7 HG2 GLN 7 -1.235 -2.164 3.482 47 HG3 GLN 7 HG3 GLN 7 0.027 -0.948 3.665 48 HE21 GLN 7 HE21 GLN 7 -0.103 -3.672 4.748 49 HE22 GLN 7 HE22 GLN 7 0.024 -3.501 6.439 50 H CYS 8 H CYS 8 -0.707 -0.155 0.857 51 HA CYS 8 HA CYS 8 -2.983 -1.382 -0.545 52 HB2 CYS 8 HB2 CYS 8 -1.647 -1.107 -2.572 53 HB3 CYS 8 HB3 CYS 8 -2.004 0.405 -1.752 54 H GLY 9 H GLY 9 -0.674 -2.582 1.336 55 HA2 GLY 9 HA2 GLY 9 -0.820 -5.117 1.183 56 HA3 GLY 9 HA3 GLY 9 -0.421 -4.885 -0.503 57 H GLY 10 H GLY 10 0.774 -4.482 2.738 58 HA2 GLY 10 HA2 GLY 10 3.495 -4.982 1.754 59 HA3 GLY 10 HA3 GLY 10 3.049 -4.454 3.381 60 H ILE 11 H ILE 11 4.592 -6.563 3.468 61 HA ILE 11 HA ILE 11 3.299 -9.059 3.299 62 HB ILE 11 HB ILE 11 5.479 -8.184 5.230 63 HG12 ILE 11 HG12 ILE 11 5.721 -9.559 2.540 64 HG13 ILE 11 HG13 ILE 11 6.086 -7.868 2.854 65 HG21 ILE 11 HG21 ILE 11 4.416 -10.231 5.984 66 HG22 ILE 11 HG22 ILE 11 6.038 -10.581 5.379 67 HG23 ILE 11 HG23 ILE 11 4.628 -10.952 4.389 68 HD11 ILE 11 HD11 ILE 11 8.105 -9.219 2.737 69 HD12 ILE 11 HD12 ILE 11 7.504 -10.230 4.058 70 HD13 ILE 11 HD13 ILE 11 7.888 -8.534 4.350 71 H GLY 12 H GLY 12 1.455 -9.572 4.347 72 HA2 GLY 12 HA2 GLY 12 0.522 -10.236 6.480 73 HA3 GLY 12 HA3 GLY 12 1.249 -8.799 7.178 74 H TYR 13 H TYR 13 -0.018 -7.883 4.266 75 HA TYR 13 HA TYR 13 -2.426 -6.886 5.595 76 HB2 TYR 13 HB2 TYR 13 -0.925 -5.257 4.463 77 HB3 TYR 13 HB3 TYR 13 -1.230 -6.075 2.941 78 HD1 TYR 13 HD1 TYR 13 -3.229 -4.572 5.733 79 HD2 TYR 13 HD2 TYR 13 -2.767 -5.030 1.531 80 HE1 TYR 13 HE1 TYR 13 -5.130 -3.055 5.360 81 HE2 TYR 13 HE2 TYR 13 -4.655 -3.534 1.147 82 HH TYR 13 HH TYR 13 -6.366 -2.426 2.102 83 H SER 14 H SER 14 -4.444 -7.541 4.993 84 HA SER 14 HA SER 14 -4.556 -9.525 2.822 85 HB2 SER 14 HB2 SER 14 -6.325 -9.366 5.257 86 HB3 SER 14 HB3 SER 14 -6.175 -10.704 4.118 87 HG SER 14 HG SER 14 -3.975 -10.918 4.816 88 H GLY 15 H GLY 15 -5.216 -6.463 3.182 89 HA2 GLY 15 HA2 GLY 15 -8.046 -6.473 2.400 90 HA3 GLY 15 HA3 GLY 15 -7.097 -5.063 2.849 91 HA PRO 16 HA PRO 16 -7.616 -5.071 -1.782 92 HB2 PRO 16 HB2 PRO 16 -7.791 -2.162 -1.187 93 HB3 PRO 16 HB3 PRO 16 -8.801 -3.148 -2.250 94 HG2 PRO 16 HG2 PRO 16 -9.731 -2.319 0.091 95 HG3 PRO 16 HG3 PRO 16 -10.081 -3.959 -0.493 96 HD2 PRO 16 HD2 PRO 16 -8.062 -3.074 1.545 97 HD3 PRO 16 HD3 PRO 16 -9.160 -4.466 1.586 98 H THR 17 H THR 17 -5.831 -5.125 -2.908 99 HA THR 17 HA THR 17 -3.442 -3.661 -2.030 100 HB THR 17 HB THR 17 -2.352 -5.452 -3.476 101 HG1 THR 17 HG1 THR 17 -3.579 -7.192 -4.007 102 HG21 THR 17 HG21 THR 17 -2.464 -7.131 -1.683 103 HG22 THR 17 HG22 THR 17 -3.894 -6.337 -1.028 104 HG23 THR 17 HG23 THR 17 -2.342 -5.506 -1.004 105 H VAL 18 H VAL 18 -5.816 -3.566 -4.300 106 HA VAL 18 HA VAL 18 -4.076 -2.469 -6.398 107 HB VAL 18 HB VAL 18 -7.037 -3.155 -6.507 108 HG11 VAL 18 HG11 VAL 18 -5.175 -2.277 -8.716 109 HG12 VAL 18 HG12 VAL 18 -6.478 -1.314 -8.020 110 HG13 VAL 18 HG13 VAL 18 -6.852 -2.784 -8.925 111 HG21 VAL 18 HG21 VAL 18 -5.630 -5.135 -6.370 112 HG22 VAL 18 HG22 VAL 18 -4.656 -4.548 -7.713 113 HG23 VAL 18 HG23 VAL 18 -6.346 -4.987 -7.976 114 H CYS 19 H CYS 19 -3.721 -0.368 -6.210 115 HA CYS 19 HA CYS 19 -5.309 1.324 -4.585 116 HB2 CYS 19 HB2 CYS 19 -3.066 1.920 -6.502 117 HB3 CYS 19 HB3 CYS 19 -3.746 3.044 -5.335 118 H ALA 20 H ALA 20 -6.291 3.287 -5.290 119 HA ALA 20 HA ALA 20 -7.996 3.069 -7.507 120 HB1 ALA 20 HB1 ALA 20 -7.197 5.532 -5.935 121 HB2 ALA 20 HB2 ALA 20 -8.518 4.427 -5.548 122 HB3 ALA 20 HB3 ALA 20 -8.584 5.390 -7.022 123 H SER 21 H SER 21 -7.997 4.250 -9.457 124 HA SER 21 HA SER 21 -5.552 4.356 -10.785 125 HB2 SER 21 HB2 SER 21 -8.149 5.726 -11.500 126 HB3 SER 21 HB3 SER 21 -6.835 5.316 -12.612 127 HG SER 21 HG SER 21 -7.238 3.083 -11.616 128 H GLY 22 H GLY 22 -4.002 5.805 -10.715 129 HA2 GLY 22 HA2 GLY 22 -3.303 8.084 -10.922 130 HA3 GLY 22 HA3 GLY 22 -4.664 8.532 -9.895 131 H THR 23 H THR 23 -3.984 6.016 -8.241 132 HA THR 23 HA THR 23 -1.835 7.332 -6.759 133 HB THR 23 HB THR 23 -2.612 6.116 -4.787 134 HG1 THR 23 HG1 THR 23 -4.396 4.986 -6.652 135 HG21 THR 23 HG21 THR 23 -3.516 8.343 -5.169 136 HG22 THR 23 HG22 THR 23 -4.741 7.314 -4.423 137 HG23 THR 23 HG23 THR 23 -4.815 7.666 -6.150 138 H THR 24 H THR 24 -0.107 6.165 -6.105 139 HA THR 24 HA THR 24 0.237 3.650 -7.569 140 HB THR 24 HB THR 24 2.717 4.120 -7.302 141 HG1 THR 24 HG1 THR 24 1.659 6.533 -6.216 142 HG21 THR 24 HG21 THR 24 1.078 6.138 -8.831 143 HG22 THR 24 HG22 THR 24 1.523 4.528 -9.396 144 HG23 THR 24 HG23 THR 24 2.771 5.749 -9.132 145 H CYS 25 H CYS 25 0.823 1.804 -6.532 146 HA CYS 25 HA CYS 25 0.707 1.856 -3.654 147 HB2 CYS 25 HB2 CYS 25 -0.386 -0.006 -4.777 148 HB3 CYS 25 HB3 CYS 25 1.095 -0.512 -5.564 149 H GLN 26 H GLN 26 2.398 2.751 -2.803 150 HA GLN 26 HA GLN 26 5.038 2.072 -3.805 151 HB2 GLN 26 HB2 GLN 26 4.101 4.241 -1.929 152 HB3 GLN 26 HB3 GLN 26 5.775 3.997 -2.402 153 HG2 GLN 26 HG2 GLN 26 5.173 4.410 -4.733 154 HG3 GLN 26 HG3 GLN 26 3.494 4.628 -4.255 155 HE21 GLN 26 HE21 GLN 26 3.434 6.645 -5.059 156 HE22 GLN 26 HE22 GLN 26 4.212 8.002 -4.331 157 H VAL 27 H VAL 27 6.027 0.508 -2.840 158 HA VAL 27 HA VAL 27 5.223 -0.367 -0.220 159 HB VAL 27 HB VAL 27 7.585 -1.334 -1.884 160 HG11 VAL 27 HG11 VAL 27 7.410 -3.382 -0.551 161 HG12 VAL 27 HG12 VAL 27 6.098 -2.660 0.377 162 HG13 VAL 27 HG13 VAL 27 7.716 -1.973 0.467 163 HG21 VAL 27 HG21 VAL 27 6.131 -3.170 -2.631 164 HG22 VAL 27 HG22 VAL 27 5.522 -1.600 -3.160 165 HG23 VAL 27 HG23 VAL 27 4.769 -2.424 -1.793 166 H LEU 28 H LEU 28 5.687 1.183 1.152 167 HA LEU 28 HA LEU 28 8.061 2.789 1.096 168 HB2 LEU 28 HB2 LEU 28 5.887 2.522 3.160 169 HB3 LEU 28 HB3 LEU 28 7.131 3.753 3.170 170 HG LEU 28 HG LEU 28 5.035 3.455 1.008 171 HD11 LEU 28 HD11 LEU 28 4.052 5.458 2.001 172 HD12 LEU 28 HD12 LEU 28 5.209 5.361 3.334 173 HD13 LEU 28 HD13 LEU 28 4.016 4.076 3.092 174 HD21 LEU 28 HD21 LEU 28 5.752 5.673 0.369 175 HD22 LEU 28 HD22 LEU 28 7.099 4.519 0.260 176 HD23 LEU 28 HD23 LEU 28 6.979 5.633 1.637 177 H ASN 29 H ASN 29 6.903 0.028 2.828 178 HA ASN 29 HA ASN 29 9.491 -0.377 4.100 179 HB2 ASN 29 HB2 ASN 29 6.809 -0.503 5.539 180 HB3 ASN 29 HB3 ASN 29 8.373 -0.908 6.223 181 HD21 ASN 29 HD21 ASN 29 6.273 1.672 5.217 182 HD22 ASN 29 HD22 ASN 29 7.069 2.954 6.016 183 HA PRO 30 HA PRO 30 8.544 -4.522 2.754 184 HB2 PRO 30 HB2 PRO 30 8.821 -5.614 5.483 185 HB3 PRO 30 HB3 PRO 30 9.690 -6.063 4.013 186 HG2 PRO 30 HG2 PRO 30 10.914 -4.649 5.918 187 HG3 PRO 30 HG3 PRO 30 11.204 -4.306 4.203 188 HD2 PRO 30 HD2 PRO 30 9.501 -2.832 6.171 189 HD3 PRO 30 HD3 PRO 30 10.552 -2.186 4.895 190 H TYR 31 H TYR 31 6.954 -3.579 5.779 191 HA TYR 31 HA TYR 31 4.755 -5.391 5.048 192 HB2 TYR 31 HB2 TYR 31 5.207 -4.041 7.721 193 HB3 TYR 31 HB3 TYR 31 4.047 -5.302 7.350 194 HD1 TYR 31 HD1 TYR 31 7.611 -4.570 7.933 195 HD2 TYR 31 HD2 TYR 31 4.732 -7.614 7.247 196 HE1 TYR 31 HE1 TYR 31 9.253 -6.262 8.601 197 HE2 TYR 31 HE2 TYR 31 6.367 -9.313 7.910 198 HH TYR 31 HH TYR 31 9.186 -8.556 9.508 199 H TYR 32 H TYR 32 5.606 -2.048 5.620 200 HA TYR 32 HA TYR 32 2.829 -1.342 5.221 201 HB2 TYR 32 HB2 TYR 32 3.984 -0.222 7.078 202 HB3 TYR 32 HB3 TYR 32 5.087 0.528 5.928 203 HD1 TYR 32 HD1 TYR 32 4.545 2.654 5.053 204 HD2 TYR 32 HD2 TYR 32 1.464 0.159 6.629 205 HE1 TYR 32 HE1 TYR 32 2.941 4.439 4.727 206 HE2 TYR 32 HE2 TYR 32 -0.158 1.949 6.310 207 HH TYR 32 HH TYR 32 -0.154 4.386 6.136 208 H SER 33 H SER 33 2.089 -1.035 3.285 209 HA SER 33 HA SER 33 3.772 0.374 1.329 210 HB2 SER 33 HB2 SER 33 1.660 -1.733 0.738 211 HB3 SER 33 HB3 SER 33 2.715 -0.948 -0.435 212 HG SER 33 HG SER 33 3.367 -3.101 0.284 213 H GLN 34 H GLN 34 2.605 2.033 0.186 214 HA GLN 34 HA GLN 34 -0.132 2.483 1.128 215 HB2 GLN 34 HB2 GLN 34 1.113 3.772 2.671 216 HB3 GLN 34 HB3 GLN 34 2.190 4.369 1.423 217 HG2 GLN 34 HG2 GLN 34 0.432 5.748 0.511 218 HG3 GLN 34 HG3 GLN 34 -0.724 5.065 1.648 219 HE21 GLN 34 HE21 GLN 34 -0.779 5.811 3.703 220 HE22 GLN 34 HE22 GLN 34 0.137 7.133 4.276 221 H CYS 35 H CYS 35 -1.484 3.431 -0.290 222 HA CYS 35 HA CYS 35 -0.605 3.767 -3.024 223 HB2 CYS 35 HB2 CYS 35 -3.310 4.356 -1.807 224 HB3 CYS 35 HB3 CYS 35 -2.935 4.273 -3.520 225 H LEU 36 H LEU 36 0.517 5.545 -3.416 226 HA LEU 36 HA LEU 36 -0.588 8.088 -2.496 227 HB2 LEU 36 HB2 LEU 36 2.250 7.370 -3.190 228 HB3 LEU 36 HB3 LEU 36 1.703 9.021 -2.993 229 HG LEU 36 HG LEU 36 1.621 6.910 -0.839 230 HD11 LEU 36 HD11 LEU 36 3.464 9.264 -1.214 231 HD12 LEU 36 HD12 LEU 36 3.901 7.561 -1.387 232 HD13 LEU 36 HD13 LEU 36 3.421 8.192 0.189 233 HD21 LEU 36 HD21 LEU 36 1.116 8.820 0.630 234 HD22 LEU 36 HD22 LEU 36 -0.146 8.544 -0.559 235 HD23 LEU 36 HD23 LEU 36 1.005 9.864 -0.786 236 H1 MAN 101 H1 MAN 101 -9.258 5.851 2.263 237 H2 MAN 101 H2 MAN 101 -7.229 5.228 3.571 238 H3 MAN 101 H3 MAN 101 -7.028 2.932 2.804 239 H4 MAN 101 H4 MAN 101 -9.489 2.450 4.532 240 H5 MAN 101 H5 MAN 101 -9.187 2.255 1.482 241 H61 MAN 101 H61 MAN 101 -10.852 0.688 2.384 242 H62 MAN 101 H62 MAN 101 -11.630 2.005 1.476 243 HO2 MAN 101 HO2 MAN 101 -9.090 5.821 4.681 244 HO3 MAN 101 HO3 MAN 101 -7.640 3.264 5.542 245 HO4 MAN 101 HO4 MAN 101 -9.210 0.304 3.676 246 HO6 MAN 101 HO6 MAN 101 -11.607 3.016 3.790 Start of MODEL 20 1 H1 THR 1 H1 THR 1 -10.614 -2.022 -5.881 2 H2 THR 1 H2 THR 1 -11.340 -1.163 -4.653 3 H3 THR 1 H3 THR 1 -10.236 -2.381 -4.258 4 HA THR 1 HA THR 1 -8.542 -0.971 -5.363 5 HB THR 1 HB THR 1 -9.381 1.473 -5.420 6 HG1 THR 1 HG1 THR 1 -11.721 1.274 -6.257 7 HG21 THR 1 HG21 THR 1 -10.180 -0.509 -7.573 8 HG22 THR 1 HG22 THR 1 -8.596 0.260 -7.404 9 HG23 THR 1 HG23 THR 1 -10.003 1.232 -7.799 10 H GLN 2 H GLN 2 -7.275 0.089 -3.985 11 HA GLN 2 HA GLN 2 -8.238 0.518 -1.293 12 HB2 GLN 2 HB2 GLN 2 -6.181 -0.831 -1.582 13 HB3 GLN 2 HB3 GLN 2 -5.435 0.503 -2.449 14 HG2 GLN 2 HG2 GLN 2 -4.674 0.371 -0.148 15 HG3 GLN 2 HG3 GLN 2 -5.517 1.880 -0.497 16 HE21 GLN 2 HE21 GLN 2 -6.285 2.365 1.333 17 HE22 GLN 2 HE22 GLN 2 -7.342 1.457 2.370 18 H SER 3 H SER 3 -8.000 2.566 -0.315 19 HA SER 3 HA SER 3 -8.410 4.709 -2.138 20 HB2 SER 3 HB2 SER 3 -8.930 5.973 -0.151 21 HB3 SER 3 HB3 SER 3 -9.742 4.407 -0.068 22 H HIS 4 H HIS 4 -7.418 6.776 -1.466 23 HA HIS 4 HA HIS 4 -4.586 6.705 -1.916 24 HB2 HIS 4 HB2 HIS 4 -6.215 8.411 -2.831 25 HB3 HIS 4 HB3 HIS 4 -6.355 9.053 -1.211 26 HD1 HIS 4 HD1 HIS 4 -5.498 11.312 -2.085 27 HD2 HIS 4 HD2 HIS 4 -2.776 8.229 -2.505 28 HE1 HIS 4 HE1 HIS 4 -3.342 12.412 -2.692 29 HE2 HIS 4 HE2 HIS 4 -1.757 10.523 -3.130 30 H TYR 5 H TYR 5 -2.978 6.958 -0.431 31 HA TYR 5 HA TYR 5 -1.877 7.152 1.461 32 HB2 TYR 5 HB2 TYR 5 -4.323 8.600 2.376 33 HB3 TYR 5 HB3 TYR 5 -3.015 8.267 3.512 34 HD1 TYR 5 HD1 TYR 5 -4.191 10.391 0.845 35 HD2 TYR 5 HD2 TYR 5 -0.750 9.223 3.033 36 HE1 TYR 5 HE1 TYR 5 -3.020 12.406 0.082 37 HE2 TYR 5 HE2 TYR 5 0.429 11.237 2.285 38 HH TYR 5 HH TYR 5 -1.162 13.823 0.798 39 H GLY 6 H GLY 6 -4.121 5.106 0.896 40 HA2 GLY 6 HA2 GLY 6 -4.299 3.930 3.535 41 HA3 GLY 6 HA3 GLY 6 -5.063 3.380 2.064 42 H GLN 7 H GLN 7 -3.789 1.562 3.641 43 HA GLN 7 HA GLN 7 -1.112 1.121 2.682 44 HB2 GLN 7 HB2 GLN 7 -1.970 0.523 4.987 45 HB3 GLN 7 HB3 GLN 7 -2.922 -0.740 4.229 46 HG2 GLN 7 HG2 GLN 7 -0.906 -1.848 3.478 47 HG3 GLN 7 HG3 GLN 7 0.086 -0.563 4.165 48 HE21 GLN 7 HE21 GLN 7 0.221 -3.356 4.874 49 HE22 GLN 7 HE22 GLN 7 -0.223 -3.444 6.519 50 H CYS 8 H CYS 8 -0.628 -0.076 0.898 51 HA CYS 8 HA CYS 8 -2.931 -1.282 -0.496 52 HB2 CYS 8 HB2 CYS 8 -1.585 -0.989 -2.528 53 HB3 CYS 8 HB3 CYS 8 -2.056 0.502 -1.733 54 H GLY 9 H GLY 9 -0.749 -2.529 1.374 55 HA2 GLY 9 HA2 GLY 9 -0.877 -5.059 1.046 56 HA3 GLY 9 HA3 GLY 9 -0.270 -4.707 -0.556 57 H GLY 10 H GLY 10 0.463 -4.641 2.826 58 HA2 GLY 10 HA2 GLY 10 3.291 -4.868 2.143 59 HA3 GLY 10 HA3 GLY 10 2.637 -4.567 3.765 60 H ILE 11 H ILE 11 4.286 -6.590 3.785 61 HA ILE 11 HA ILE 11 3.177 -9.108 3.173 62 HB ILE 11 HB ILE 11 5.084 -8.401 5.425 63 HG12 ILE 11 HG12 ILE 11 5.705 -9.373 2.626 64 HG13 ILE 11 HG13 ILE 11 5.880 -7.709 3.174 65 HG21 ILE 11 HG21 ILE 11 5.770 -10.763 5.318 66 HG22 ILE 11 HG22 ILE 11 4.550 -11.065 4.087 67 HG23 ILE 11 HG23 ILE 11 4.056 -10.609 5.717 68 HD11 ILE 11 HD11 ILE 11 7.363 -10.092 4.230 69 HD12 ILE 11 HD12 ILE 11 7.541 -8.435 4.804 70 HD13 ILE 11 HD13 ILE 11 8.012 -8.853 3.152 71 H GLY 12 H GLY 12 1.207 -9.682 3.889 72 HA2 GLY 12 HA2 GLY 12 0.109 -10.736 5.755 73 HA3 GLY 12 HA3 GLY 12 0.725 -9.450 6.778 74 H TYR 13 H TYR 13 -0.073 -7.725 4.242 75 HA TYR 13 HA TYR 13 -2.582 -6.924 5.415 76 HB2 TYR 13 HB2 TYR 13 -0.979 -5.243 4.563 77 HB3 TYR 13 HB3 TYR 13 -1.189 -5.887 2.943 78 HD1 TYR 13 HD1 TYR 13 -2.776 -4.890 1.542 79 HD2 TYR 13 HD2 TYR 13 -3.136 -4.379 5.744 80 HE1 TYR 13 HE1 TYR 13 -4.569 -3.275 1.185 81 HE2 TYR 13 HE2 TYR 13 -4.952 -2.751 5.385 82 HH TYR 13 HH TYR 13 -6.203 -2.099 2.148 83 H SER 14 H SER 14 -4.325 -8.017 5.046 84 HA SER 14 HA SER 14 -4.640 -9.521 2.616 85 HB2 SER 14 HB2 SER 14 -6.639 -10.368 3.993 86 HB3 SER 14 HB3 SER 14 -5.016 -10.779 4.552 87 HG SER 14 HG SER 14 -6.826 -8.861 5.546 88 H GLY 15 H GLY 15 -5.280 -6.464 3.473 89 HA2 GLY 15 HA2 GLY 15 -8.032 -6.219 2.608 90 HA3 GLY 15 HA3 GLY 15 -6.956 -4.902 3.055 91 HA PRO 16 HA PRO 16 -7.617 -4.862 -1.572 92 HB2 PRO 16 HB2 PRO 16 -7.800 -1.956 -0.961 93 HB3 PRO 16 HB3 PRO 16 -8.829 -2.939 -2.002 94 HG2 PRO 16 HG2 PRO 16 -9.728 -2.136 0.353 95 HG3 PRO 16 HG3 PRO 16 -10.050 -3.789 -0.205 96 HD2 PRO 16 HD2 PRO 16 -7.966 -2.829 1.727 97 HD3 PRO 16 HD3 PRO 16 -9.061 -4.219 1.874 98 H THR 17 H THR 17 -5.780 -5.002 -2.690 99 HA THR 17 HA THR 17 -3.412 -3.460 -1.886 100 HB THR 17 HB THR 17 -2.272 -5.170 -3.331 101 HG1 THR 17 HG1 THR 17 -3.444 -6.591 -4.367 102 HG21 THR 17 HG21 THR 17 -2.445 -6.984 -1.675 103 HG22 THR 17 HG22 THR 17 -3.918 -6.256 -1.032 104 HG23 THR 17 HG23 THR 17 -2.380 -5.413 -0.878 105 H VAL 18 H VAL 18 -5.822 -3.513 -4.208 106 HA VAL 18 HA VAL 18 -4.086 -2.523 -6.343 107 HB VAL 18 HB VAL 18 -7.092 -2.945 -6.398 108 HG11 VAL 18 HG11 VAL 18 -5.137 -2.555 -8.656 109 HG12 VAL 18 HG12 VAL 18 -6.332 -1.385 -8.095 110 HG13 VAL 18 HG13 VAL 18 -6.856 -2.896 -8.839 111 HG21 VAL 18 HG21 VAL 18 -6.645 -5.026 -7.626 112 HG22 VAL 18 HG22 VAL 18 -5.968 -5.073 -5.999 113 HG23 VAL 18 HG23 VAL 18 -4.916 -4.788 -7.386 114 H CYS 19 H CYS 19 -3.604 -0.428 -6.114 115 HA CYS 19 HA CYS 19 -5.137 1.376 -4.608 116 HB2 CYS 19 HB2 CYS 19 -2.901 1.794 -6.571 117 HB3 CYS 19 HB3 CYS 19 -3.574 3.045 -5.535 118 H ALA 20 H ALA 20 -6.246 3.201 -5.288 119 HA ALA 20 HA ALA 20 -7.956 2.984 -7.483 120 HB1 ALA 20 HB1 ALA 20 -7.111 5.418 -5.910 121 HB2 ALA 20 HB2 ALA 20 -8.443 4.332 -5.508 122 HB3 ALA 20 HB3 ALA 20 -8.522 5.321 -6.965 123 H SER 21 H SER 21 -7.906 4.053 -9.476 124 HA SER 21 HA SER 21 -5.404 4.257 -10.723 125 HB2 SER 21 HB2 SER 21 -8.068 5.369 -11.604 126 HB3 SER 21 HB3 SER 21 -6.665 5.086 -12.643 127 HG SER 21 HG SER 21 -6.918 2.848 -11.539 128 H GLY 22 H GLY 22 -3.947 5.800 -10.667 129 HA2 GLY 22 HA2 GLY 22 -3.379 8.126 -10.881 130 HA3 GLY 22 HA3 GLY 22 -4.825 8.501 -9.940 131 H THR 23 H THR 23 -3.934 5.933 -8.342 132 HA THR 23 HA THR 23 -1.906 7.370 -6.801 133 HB THR 23 HB THR 23 -2.625 6.155 -4.794 134 HG1 THR 23 HG1 THR 23 -4.410 4.934 -6.616 135 HG21 THR 23 HG21 THR 23 -3.659 8.306 -5.210 136 HG22 THR 23 HG22 THR 23 -4.817 7.218 -4.449 137 HG23 THR 23 HG23 THR 23 -4.917 7.542 -6.182 138 H THR 24 H THR 24 -0.123 6.231 -6.085 139 HA THR 24 HA THR 24 0.329 3.757 -7.589 140 HB THR 24 HB THR 24 2.782 4.359 -7.393 141 HG1 THR 24 HG1 THR 24 1.656 6.722 -6.222 142 HG21 THR 24 HG21 THR 24 1.032 6.428 -8.734 143 HG22 THR 24 HG22 THR 24 1.493 4.881 -9.431 144 HG23 THR 24 HG23 THR 24 2.722 6.106 -9.117 145 H CYS 25 H CYS 25 0.853 1.908 -6.490 146 HA CYS 25 HA CYS 25 0.798 2.018 -3.621 147 HB2 CYS 25 HB2 CYS 25 -0.301 0.107 -4.695 148 HB3 CYS 25 HB3 CYS 25 1.196 -0.417 -5.442 149 H GLN 26 H GLN 26 2.485 2.883 -2.758 150 HA GLN 26 HA GLN 26 5.094 2.142 -3.780 151 HB2 GLN 26 HB2 GLN 26 4.272 4.372 -1.932 152 HB3 GLN 26 HB3 GLN 26 5.914 4.066 -2.482 153 HG2 GLN 26 HG2 GLN 26 5.240 4.453 -4.780 154 HG3 GLN 26 HG3 GLN 26 3.576 4.704 -4.262 155 HE21 GLN 26 HE21 GLN 26 3.479 6.703 -5.065 156 HE22 GLN 26 HE22 GLN 26 4.314 8.064 -4.387 157 H VAL 27 H VAL 27 5.873 0.422 -2.872 158 HA VAL 27 HA VAL 27 5.343 -0.321 -0.182 159 HB VAL 27 HB VAL 27 7.528 -1.269 -2.084 160 HG11 VAL 27 HG11 VAL 27 7.699 -3.233 -0.615 161 HG12 VAL 27 HG12 VAL 27 6.538 -2.495 0.494 162 HG13 VAL 27 HG13 VAL 27 8.111 -1.742 0.236 163 HG21 VAL 27 HG21 VAL 27 6.082 -3.212 -2.462 164 HG22 VAL 27 HG22 VAL 27 5.274 -1.717 -2.936 165 HG23 VAL 27 HG23 VAL 27 4.854 -2.506 -1.417 166 H LEU 28 H LEU 28 5.947 1.013 1.289 167 HA LEU 28 HA LEU 28 8.339 2.647 1.087 168 HB2 LEU 28 HB2 LEU 28 6.204 2.470 3.222 169 HB3 LEU 28 HB3 LEU 28 7.471 3.682 3.157 170 HG LEU 28 HG LEU 28 5.328 3.360 1.042 171 HD11 LEU 28 HD11 LEU 28 4.335 4.078 3.147 172 HD12 LEU 28 HD12 LEU 28 4.337 5.382 1.968 173 HD13 LEU 28 HD13 LEU 28 5.526 5.375 3.273 174 HD21 LEU 28 HD21 LEU 28 7.372 4.342 0.216 175 HD22 LEU 28 HD22 LEU 28 7.362 5.489 1.561 176 HD23 LEU 28 HD23 LEU 28 6.097 5.567 0.326 177 H ASN 29 H ASN 29 7.016 0.039 2.975 178 HA ASN 29 HA ASN 29 9.660 -0.685 3.953 179 HB2 ASN 29 HB2 ASN 29 7.147 -0.573 5.683 180 HB3 ASN 29 HB3 ASN 29 8.705 -1.211 6.157 181 HD21 ASN 29 HD21 ASN 29 6.879 1.695 5.553 182 HD22 ASN 29 HD22 ASN 29 7.954 2.806 6.280 183 HA PRO 30 HA PRO 30 8.319 -4.690 2.595 184 HB2 PRO 30 HB2 PRO 30 8.709 -5.761 5.355 185 HB3 PRO 30 HB3 PRO 30 9.346 -6.367 3.819 186 HG2 PRO 30 HG2 PRO 30 10.938 -5.051 5.468 187 HG3 PRO 30 HG3 PRO 30 11.009 -4.727 3.725 188 HD2 PRO 30 HD2 PRO 30 9.727 -3.129 5.900 189 HD3 PRO 30 HD3 PRO 30 10.653 -2.552 4.512 190 H TYR 31 H TYR 31 6.942 -3.692 5.696 191 HA TYR 31 HA TYR 31 4.541 -5.268 5.044 192 HB2 TYR 31 HB2 TYR 31 5.308 -4.001 7.692 193 HB3 TYR 31 HB3 TYR 31 3.920 -5.039 7.407 194 HD1 TYR 31 HD1 TYR 31 7.624 -5.008 7.291 195 HD2 TYR 31 HD2 TYR 31 4.136 -7.379 7.719 196 HE1 TYR 31 HE1 TYR 31 9.025 -6.909 7.858 197 HE2 TYR 31 HE2 TYR 31 5.533 -9.324 8.285 198 HH TYR 31 HH TYR 31 8.893 -9.017 8.964 199 H TYR 32 H TYR 32 5.720 -2.026 5.500 200 HA TYR 32 HA TYR 32 3.002 -1.032 5.311 201 HB2 TYR 32 HB2 TYR 32 4.436 -0.076 7.064 202 HB3 TYR 32 HB3 TYR 32 5.517 0.542 5.821 203 HD1 TYR 32 HD1 TYR 32 5.303 2.804 5.387 204 HD2 TYR 32 HD2 TYR 32 1.845 0.568 6.483 205 HE1 TYR 32 HE1 TYR 32 3.978 4.811 5.275 206 HE2 TYR 32 HE2 TYR 32 0.492 2.602 6.359 207 HH TYR 32 HH TYR 32 1.727 5.491 4.992 208 H SER 33 H SER 33 2.181 -0.681 3.385 209 HA SER 33 HA SER 33 3.849 0.581 1.327 210 HB2 SER 33 HB2 SER 33 1.747 -1.565 0.846 211 HB3 SER 33 HB3 SER 33 2.783 -0.820 -0.371 212 HG SER 33 HG SER 33 3.438 -2.948 0.451 213 H GLN 34 H GLN 34 2.693 2.239 0.221 214 HA GLN 34 HA GLN 34 -0.060 2.639 1.126 215 HB2 GLN 34 HB2 GLN 34 1.171 3.924 2.714 216 HB3 GLN 34 HB3 GLN 34 2.213 4.584 1.472 217 HG2 GLN 34 HG2 GLN 34 0.430 5.957 0.614 218 HG3 GLN 34 HG3 GLN 34 -0.718 5.186 1.707 219 HE21 GLN 34 HE21 GLN 34 -0.924 5.955 3.756 220 HE22 GLN 34 HE22 GLN 34 -0.017 7.259 4.395 221 H CYS 35 H CYS 35 -1.431 3.511 -0.308 222 HA CYS 35 HA CYS 35 -0.573 3.871 -3.048 223 HB2 CYS 35 HB2 CYS 35 -3.288 4.430 -1.825 224 HB3 CYS 35 HB3 CYS 35 -2.914 4.383 -3.537 225 H LEU 36 H LEU 36 0.499 5.663 -3.479 226 HA LEU 36 HA LEU 36 -0.602 8.201 -2.509 227 HB2 LEU 36 HB2 LEU 36 2.246 7.502 -3.229 228 HB3 LEU 36 HB3 LEU 36 1.683 9.130 -2.911 229 HG LEU 36 HG LEU 36 1.617 6.877 -0.907 230 HD11 LEU 36 HD11 LEU 36 3.472 9.251 -1.110 231 HD12 LEU 36 HD12 LEU 36 3.907 7.564 -1.405 232 HD13 LEU 36 HD13 LEU 36 3.410 8.079 0.207 233 HD21 LEU 36 HD21 LEU 36 1.117 8.685 0.679 234 HD22 LEU 36 HD22 LEU 36 -0.141 8.494 -0.531 235 HD23 LEU 36 HD23 LEU 36 1.014 9.822 -0.664 236 H1 MAN 101 H1 MAN 101 -9.197 6.099 2.118 237 H2 MAN 101 H2 MAN 101 -7.074 5.766 3.285 238 H3 MAN 101 H3 MAN 101 -6.909 3.327 2.921 239 H4 MAN 101 H4 MAN 101 -9.163 3.165 4.952 240 H5 MAN 101 H5 MAN 101 -9.080 2.392 1.994 241 H61 MAN 101 H61 MAN 101 -10.567 1.044 3.436 242 H62 MAN 101 H62 MAN 101 -11.464 1.996 2.222 243 HO2 MAN 101 HO2 MAN 101 -9.013 6.455 4.366 244 HO3 MAN 101 HO3 MAN 101 -7.081 4.071 5.663 245 HO4 MAN 101 HO4 MAN 101 -7.553 1.540 5.005 246 HO6 MAN 101 HO6 MAN 101 -11.861 3.555 3.875
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