NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
616860 | 5x38 | 36054 | 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 4.537 1.667 8.883 2 H2 THR 1 H2 THR 1 4.302 2.652 10.283 3 H3 THR 1 H3 THR 1 5.466 3.053 9.130 4 HA THR 1 HA THR 1 2.598 2.991 8.630 5 HB THR 1 HB THR 1 4.423 5.372 9.014 6 HG1 THR 1 HG1 THR 1 3.171 5.363 11.121 7 HG21 THR 1 HG21 THR 1 2.291 6.538 9.371 8 HG22 THR 1 HG22 THR 1 1.420 5.022 9.142 9 HG23 THR 1 HG23 THR 1 2.303 5.740 7.797 10 H GLN 2 H GLN 2 2.226 2.944 6.487 11 HA GLN 2 HA GLN 2 4.371 2.599 4.667 12 HB2 GLN 2 HB2 GLN 2 2.188 1.406 4.522 13 HB3 GLN 2 HB3 GLN 2 1.419 2.926 4.129 14 HG2 GLN 2 HG2 GLN 2 1.789 1.625 2.128 15 HG3 GLN 2 HG3 GLN 2 2.753 3.101 2.098 16 HE21 GLN 2 HE21 GLN 2 2.801 -0.332 2.301 17 HE22 GLN 2 HE22 GLN 2 4.481 -0.535 2.029 18 H SER 3 H SER 3 5.375 4.049 3.506 19 HA SER 3 HA SER 3 4.694 6.775 3.643 20 HB2 SER 3 HB2 SER 3 6.691 7.168 2.376 21 HB3 SER 3 HB3 SER 3 7.042 5.957 3.593 22 H HIS 4 H HIS 4 4.803 8.062 1.556 23 HA HIS 4 HA HIS 4 2.434 7.621 0.118 24 HB2 HIS 4 HB2 HIS 4 3.687 9.816 0.633 25 HB3 HIS 4 HB3 HIS 4 4.704 9.417 -0.741 26 HD1 HIS 4 HD1 HIS 4 3.885 11.559 -1.962 27 HD2 HIS 4 HD2 HIS 4 0.875 8.864 -1.066 28 HE1 HIS 4 HE1 HIS 4 1.834 12.421 -3.127 29 HE2 HIS 4 HE2 HIS 4 0.007 10.971 -2.238 30 H TYR 5 H TYR 5 2.049 6.599 -1.775 31 HA TYR 5 HA TYR 5 2.239 5.497 -3.658 32 HB2 TYR 5 HB2 TYR 5 5.154 6.302 -3.706 33 HB3 TYR 5 HB3 TYR 5 4.394 5.341 -4.958 34 HD1 TYR 5 HD1 TYR 5 2.719 6.321 -6.452 35 HD2 TYR 5 HD2 TYR 5 4.705 8.681 -3.532 36 HE1 TYR 5 HE1 TYR 5 1.970 8.361 -7.599 37 HE2 TYR 5 HE2 TYR 5 3.957 10.722 -4.669 38 HH TYR 5 HH TYR 5 3.250 11.413 -6.870 39 H GLY 6 H GLY 6 3.289 4.501 -0.856 40 HA2 GLY 6 HA2 GLY 6 4.408 1.981 -1.744 41 HA3 GLY 6 HA3 GLY 6 4.089 2.467 -0.082 42 H GLN 7 H GLN 7 3.425 -0.044 -1.099 43 HA GLN 7 HA GLN 7 0.629 -0.097 -1.747 44 HB2 GLN 7 HB2 GLN 7 2.178 -1.799 -2.653 45 HB3 GLN 7 HB3 GLN 7 2.536 -2.342 -1.026 46 HG2 GLN 7 HG2 GLN 7 0.222 -3.083 -0.757 47 HG3 GLN 7 HG3 GLN 7 -0.146 -2.522 -2.384 48 HE21 GLN 7 HE21 GLN 7 -0.758 -4.707 -3.033 49 HE22 GLN 7 HE22 GLN 7 0.459 -5.868 -3.292 50 H CYS 8 H CYS 8 -0.851 0.228 -0.288 51 HA CYS 8 HA CYS 8 -0.180 0.081 2.541 52 HB2 CYS 8 HB2 CYS 8 -2.371 1.238 2.826 53 HB3 CYS 8 HB3 CYS 8 -1.170 2.101 1.868 54 H GLY 9 H GLY 9 -1.352 -2.148 0.521 55 HA2 GLY 9 HA2 GLY 9 -1.872 -4.204 1.896 56 HA3 GLY 9 HA3 GLY 9 -3.061 -3.190 2.683 57 H GLY 10 H GLY 10 -2.218 -4.911 -0.185 58 HA2 GLY 10 HA2 GLY 10 -4.994 -4.757 -1.092 59 HA3 GLY 10 HA3 GLY 10 -3.629 -5.421 -1.999 60 H ILE 11 H ILE 11 -5.478 -7.169 -2.039 61 HA ILE 11 HA ILE 11 -5.926 -8.838 0.133 62 HB ILE 11 HB ILE 11 -5.690 -9.549 -2.804 63 HG12 ILE 11 HG12 ILE 11 -8.123 -9.097 -1.062 64 HG13 ILE 11 HG13 ILE 11 -7.476 -7.944 -2.225 65 HG21 ILE 11 HG21 ILE 11 -5.334 -11.552 -1.503 66 HG22 ILE 11 HG22 ILE 11 -6.920 -11.615 -2.278 67 HG23 ILE 11 HG23 ILE 11 -6.789 -11.240 -0.553 68 HD11 ILE 11 HD11 ILE 11 -8.613 -10.659 -2.858 69 HD12 ILE 11 HD12 ILE 11 -7.955 -9.520 -4.033 70 HD13 ILE 11 HD13 ILE 11 -9.406 -9.104 -3.118 71 H GLY 12 H GLY 12 -4.525 -9.843 1.400 72 HA2 GLY 12 HA2 GLY 12 -2.989 -11.569 1.803 73 HA3 GLY 12 HA3 GLY 12 -2.387 -11.379 0.167 74 H TYR 13 H TYR 13 -2.371 -8.330 0.976 75 HA TYR 13 HA TYR 13 0.422 -8.461 1.701 76 HB2 TYR 13 HB2 TYR 13 -0.374 -6.828 -0.010 77 HB3 TYR 13 HB3 TYR 13 -1.312 -6.023 1.239 78 HD1 TYR 13 HD1 TYR 13 -0.178 -4.569 2.877 79 HD2 TYR 13 HD2 TYR 13 2.017 -6.659 -0.092 80 HE1 TYR 13 HE1 TYR 13 1.753 -3.143 3.317 81 HE2 TYR 13 HE2 TYR 13 3.972 -5.235 0.345 82 HH TYR 13 HH TYR 13 4.261 -2.845 1.238 83 H SER 14 H SER 14 0.828 -8.878 3.742 84 HA SER 14 HA SER 14 -0.845 -7.740 5.856 85 HB2 SER 14 HB2 SER 14 1.216 -9.855 5.936 86 HB3 SER 14 HB3 SER 14 0.100 -9.465 7.253 87 HG SER 14 HG SER 14 -1.305 -9.889 5.022 88 H GLY 15 H GLY 15 1.531 -6.516 4.286 89 HA2 GLY 15 HA2 GLY 15 3.466 -5.993 6.387 90 HA3 GLY 15 HA3 GLY 15 3.504 -5.354 4.746 91 HA PRO 16 HA PRO 16 2.378 -1.780 7.478 92 HB2 PRO 16 HB2 PRO 16 3.282 0.092 5.641 93 HB3 PRO 16 HB3 PRO 16 4.246 -0.597 6.948 94 HG2 PRO 16 HG2 PRO 16 4.183 -1.336 4.059 95 HG3 PRO 16 HG3 PRO 16 5.560 -1.254 5.167 96 HD2 PRO 16 HD2 PRO 16 4.424 -3.579 4.446 97 HD3 PRO 16 HD3 PRO 16 5.129 -3.340 6.056 98 H THR 17 H THR 17 0.299 -1.321 7.461 99 HA THR 17 HA THR 17 -1.103 -1.148 4.894 100 HB THR 17 HB THR 17 -3.113 -1.648 6.426 101 HG1 THR 17 HG1 THR 17 -1.092 -2.783 8.069 102 HG21 THR 17 HG21 THR 17 -0.969 -3.743 5.972 103 HG22 THR 17 HG22 THR 17 -2.189 -3.255 4.802 104 HG23 THR 17 HG23 THR 17 -2.673 -4.077 6.284 105 H VAL 18 H VAL 18 -0.467 0.573 7.839 106 HA VAL 18 HA VAL 18 -2.528 2.528 7.244 107 HB VAL 18 HB VAL 18 -0.470 2.503 9.473 108 HG11 VAL 18 HG11 VAL 18 -1.905 4.176 10.547 109 HG12 VAL 18 HG12 VAL 18 -2.987 4.141 9.158 110 HG13 VAL 18 HG13 VAL 18 -1.338 4.745 8.976 111 HG21 VAL 18 HG21 VAL 18 -3.356 1.649 9.479 112 HG22 VAL 18 HG22 VAL 18 -2.316 1.768 10.897 113 HG23 VAL 18 HG23 VAL 18 -1.953 0.591 9.633 114 H CYS 19 H CYS 19 -2.137 4.326 6.162 115 HA CYS 19 HA CYS 19 0.506 4.768 5.094 116 HB2 CYS 19 HB2 CYS 19 -2.060 6.289 4.642 117 HB3 CYS 19 HB3 CYS 19 -0.581 6.403 3.694 118 H ALA 20 H ALA 20 1.517 6.848 5.148 119 HA ALA 20 HA ALA 20 1.728 8.089 7.649 120 HB1 ALA 20 HB1 ALA 20 2.388 9.252 4.939 121 HB2 ALA 20 HB2 ALA 20 3.460 8.238 5.897 122 HB3 ALA 20 HB3 ALA 20 2.997 9.834 6.486 123 H SER 21 H SER 21 0.911 10.046 8.448 124 HA SER 21 HA SER 21 -1.767 10.594 7.903 125 HB2 SER 21 HB2 SER 21 0.273 12.365 9.252 126 HB3 SER 21 HB3 SER 21 -1.482 12.509 9.387 127 HG SER 21 HG SER 21 -0.628 9.990 9.901 128 H GLY 22 H GLY 22 -2.647 11.556 6.224 129 HA2 GLY 22 HA2 GLY 22 -2.848 13.621 4.970 130 HA3 GLY 22 HA3 GLY 22 -1.093 13.598 4.786 131 H THR 23 H THR 23 -1.311 10.601 4.520 132 HA THR 23 HA THR 23 -2.162 10.625 1.721 133 HB THR 23 HB THR 23 -0.666 8.702 1.338 134 HG1 THR 23 HG1 THR 23 -0.326 8.902 4.113 135 HG21 THR 23 HG21 THR 23 0.233 10.937 0.969 136 HG22 THR 23 HG22 THR 23 1.489 9.861 1.575 137 HG23 THR 23 HG23 THR 23 0.728 11.025 2.658 138 H THR 24 H THR 24 -3.455 8.986 1.011 139 HA THR 24 HA THR 24 -4.788 7.530 3.174 140 HB THR 24 HB THR 24 -6.859 7.744 1.752 141 HG1 THR 24 HG1 THR 24 -5.030 9.194 0.170 142 HG21 THR 24 HG21 THR 24 -7.325 10.046 2.441 143 HG22 THR 24 HG22 THR 24 -5.602 10.332 2.679 144 HG23 THR 24 HG23 THR 24 -6.456 9.188 3.715 145 H CYS 25 H CYS 25 -5.280 5.408 2.813 146 HA CYS 25 HA CYS 25 -3.828 4.056 0.778 147 HB2 CYS 25 HB2 CYS 25 -4.227 3.004 2.987 148 HB3 CYS 25 HB3 CYS 25 -5.960 3.001 2.664 149 H GLN 26 H GLN 26 -4.422 4.016 -1.249 150 HA GLN 26 HA GLN 26 -7.255 4.161 -1.944 151 HB2 GLN 26 HB2 GLN 26 -4.773 4.668 -3.591 152 HB3 GLN 26 HB3 GLN 26 -6.424 4.802 -4.177 153 HG2 GLN 26 HG2 GLN 26 -5.224 6.454 -1.970 154 HG3 GLN 26 HG3 GLN 26 -5.425 6.974 -3.643 155 HE21 GLN 26 HE21 GLN 26 -6.521 8.028 -1.172 156 HE22 GLN 26 HE22 GLN 26 -8.228 8.048 -1.410 157 H VAL 27 H VAL 27 -8.063 2.206 -2.220 158 HA VAL 27 HA VAL 27 -6.449 -0.010 -3.075 159 HB VAL 27 HB VAL 27 -9.477 0.162 -2.859 160 HG11 VAL 27 HG11 VAL 27 -7.658 -2.240 -2.980 161 HG12 VAL 27 HG12 VAL 27 -8.718 -1.680 -4.267 162 HG13 VAL 27 HG13 VAL 27 -9.410 -2.286 -2.759 163 HG21 VAL 27 HG21 VAL 27 -9.215 -0.958 -0.685 164 HG22 VAL 27 HG22 VAL 27 -8.426 0.621 -0.702 165 HG23 VAL 27 HG23 VAL 27 -7.462 -0.847 -0.848 166 H LEU 28 H LEU 28 -5.690 0.238 -5.046 167 HA LEU 28 HA LEU 28 -7.249 1.458 -7.158 168 HB2 LEU 28 HB2 LEU 28 -4.507 0.202 -7.294 169 HB3 LEU 28 HB3 LEU 28 -5.240 1.212 -8.516 170 HG LEU 28 HG LEU 28 -4.341 2.106 -5.772 171 HD11 LEU 28 HD11 LEU 28 -3.268 2.705 -8.518 172 HD12 LEU 28 HD12 LEU 28 -2.509 1.687 -7.295 173 HD13 LEU 28 HD13 LEU 28 -2.699 3.416 -7.009 174 HD21 LEU 28 HD21 LEU 28 -6.311 3.359 -6.471 175 HD22 LEU 28 HD22 LEU 28 -5.532 3.689 -8.029 176 HD23 LEU 28 HD23 LEU 28 -4.844 4.349 -6.544 177 H ASN 29 H ASN 29 -5.997 -1.674 -6.248 178 HA ASN 29 HA ASN 29 -7.765 -2.962 -8.167 179 HB2 ASN 29 HB2 ASN 29 -4.835 -3.731 -7.818 180 HB3 ASN 29 HB3 ASN 29 -6.013 -4.536 -8.839 181 HD21 ASN 29 HD21 ASN 29 -3.872 -1.865 -8.513 182 HD22 ASN 29 HD22 ASN 29 -4.006 -1.279 -10.125 183 HA PRO 30 HA PRO 30 -8.545 -5.743 -4.774 184 HB2 PRO 30 HB2 PRO 30 -7.429 -7.989 -6.403 185 HB3 PRO 30 HB3 PRO 30 -8.957 -7.904 -5.514 186 HG2 PRO 30 HG2 PRO 30 -8.968 -7.640 -8.139 187 HG3 PRO 30 HG3 PRO 30 -9.974 -6.577 -7.141 188 HD2 PRO 30 HD2 PRO 30 -7.386 -6.003 -8.505 189 HD3 PRO 30 HD3 PRO 30 -8.790 -4.949 -8.319 190 H TYR 31 H TYR 31 -5.399 -6.492 -6.360 191 HA TYR 31 HA TYR 31 -4.396 -7.072 -3.668 192 HB2 TYR 31 HB2 TYR 31 -3.217 -7.605 -6.385 193 HB3 TYR 31 HB3 TYR 31 -2.325 -7.826 -4.890 194 HD1 TYR 31 HD1 TYR 31 -5.466 -8.931 -6.582 195 HD2 TYR 31 HD2 TYR 31 -2.374 -9.896 -3.842 196 HE1 TYR 31 HE1 TYR 31 -6.305 -11.248 -6.443 197 HE2 TYR 31 HE2 TYR 31 -3.203 -12.188 -3.686 198 HH TYR 31 HH TYR 31 -5.210 -13.421 -4.042 199 H TYR 32 H TYR 32 -4.046 -4.677 -6.202 200 HA TYR 32 HA TYR 32 -1.904 -3.571 -4.616 201 HB2 TYR 32 HB2 TYR 32 -1.437 -3.740 -7.027 202 HB3 TYR 32 HB3 TYR 32 -2.697 -2.539 -7.331 203 HD1 TYR 32 HD1 TYR 32 0.373 -3.065 -5.316 204 HD2 TYR 32 HD2 TYR 32 -2.108 -0.283 -7.339 205 HE1 TYR 32 HE1 TYR 32 1.983 -1.303 -4.811 206 HE2 TYR 32 HE2 TYR 32 -0.510 1.516 -6.840 207 HH TYR 32 HH TYR 32 2.637 0.830 -5.570 208 H SER 33 H SER 33 -2.236 -2.207 -3.117 209 HA SER 33 HA SER 33 -4.219 -0.089 -3.538 210 HB2 SER 33 HB2 SER 33 -3.371 -1.320 -0.893 211 HB3 SER 33 HB3 SER 33 -4.627 -0.112 -1.133 212 HG SER 33 HG SER 33 -5.177 -2.472 -0.915 213 H GLN 34 H GLN 34 -3.351 1.987 -3.160 214 HA GLN 34 HA GLN 34 -0.527 2.079 -2.319 215 HB2 GLN 34 HB2 GLN 34 -0.492 2.237 -4.712 216 HB3 GLN 34 HB3 GLN 34 -1.778 3.433 -4.709 217 HG2 GLN 34 HG2 GLN 34 -0.333 5.063 -3.730 218 HG3 GLN 34 HG3 GLN 34 0.953 3.865 -3.532 219 HE21 GLN 34 HE21 GLN 34 2.163 3.312 -5.308 220 HE22 GLN 34 HE22 GLN 34 2.089 4.161 -6.805 221 H CYS 35 H CYS 35 0.031 3.731 -0.988 222 HA CYS 35 HA CYS 35 -2.057 5.390 0.094 223 HB2 CYS 35 HB2 CYS 35 0.920 5.626 0.622 224 HB3 CYS 35 HB3 CYS 35 -0.394 6.338 1.525 225 H LEU 36 H LEU 36 -2.746 7.114 -0.850 226 HA LEU 36 HA LEU 36 -0.871 8.839 -2.252 227 HB2 LEU 36 HB2 LEU 36 -3.701 8.149 -3.006 228 HB3 LEU 36 HB3 LEU 36 -2.824 9.500 -3.696 229 HG LEU 36 HG LEU 36 -1.957 6.618 -3.921 230 HD11 LEU 36 HD11 LEU 36 -3.290 8.402 -5.946 231 HD12 LEU 36 HD12 LEU 36 -4.008 6.994 -5.150 232 HD13 LEU 36 HD13 LEU 36 -2.639 6.788 -6.240 233 HD21 LEU 36 HD21 LEU 36 -0.090 8.191 -4.020 234 HD22 LEU 36 HD22 LEU 36 -0.940 9.134 -5.242 235 HD23 LEU 36 HD23 LEU 36 -0.405 7.495 -5.607 236 H2 BGC 101 H2 BGC 101 8.668 3.479 0.696 237 H3 BGC 101 H3 BGC 101 6.483 1.375 1.028 238 H4 BGC 101 H4 BGC 101 9.274 1.684 2.168 239 H5 BGC 101 H5 BGC 101 6.470 1.762 3.420 240 H6C1 BGC 101 H61 BGC 101 9.269 2.039 4.610 241 H6C2 BGC 101 H62 BGC 101 8.075 0.781 4.983 242 H1 BGC 101 H1 BGC 101 5.873 3.577 1.883 243 HB BGC 101 HO2 BGC 101 7.010 4.467 -0.568 244 HC BGC 101 HO3 BGC 101 8.080 0.013 0.137 245 HD BGC 101 HO4 BGC 101 8.727 -0.261 3.232 246 H6 BGC 101 HO6 BGC 101 7.749 3.575 5.520 Start of MODEL 2 1 H1 THR 1 H1 THR 1 3.925 1.787 10.051 2 H2 THR 1 H2 THR 1 5.225 1.760 8.970 3 H3 THR 1 H3 THR 1 3.885 0.780 8.694 4 HA THR 1 HA THR 1 2.532 2.666 8.334 5 HB THR 1 HB THR 1 5.015 4.296 8.905 6 HG1 THR 1 HG1 THR 1 3.708 4.860 10.823 7 HG21 THR 1 HG21 THR 1 3.372 5.357 7.385 8 HG22 THR 1 HG22 THR 1 3.449 6.188 8.936 9 HG23 THR 1 HG23 THR 1 2.108 5.098 8.588 10 H GLN 2 H GLN 2 2.283 3.254 6.244 11 HA GLN 2 HA GLN 2 4.429 2.539 4.406 12 HB2 GLN 2 HB2 GLN 2 2.245 1.372 4.197 13 HB3 GLN 2 HB3 GLN 2 1.471 2.921 3.921 14 HG2 GLN 2 HG2 GLN 2 1.842 1.676 1.854 15 HG3 GLN 2 HG3 GLN 2 2.699 3.215 1.875 16 HE21 GLN 2 HE21 GLN 2 3.036 -0.228 1.907 17 HE22 GLN 2 HE22 GLN 2 4.729 -0.249 1.635 18 H SER 3 H SER 3 5.459 4.115 3.356 19 HA SER 3 HA SER 3 4.780 6.817 3.707 20 HB2 SER 3 HB2 SER 3 6.741 7.302 2.374 21 HB3 SER 3 HB3 SER 3 7.124 5.997 3.475 22 H HIS 4 H HIS 4 4.898 8.269 1.564 23 HA HIS 4 HA HIS 4 2.386 7.860 0.329 24 HB2 HIS 4 HB2 HIS 4 3.584 10.084 0.820 25 HB3 HIS 4 HB3 HIS 4 4.540 9.762 -0.617 26 HD1 HIS 4 HD1 HIS 4 3.418 12.083 -1.440 27 HD2 HIS 4 HD2 HIS 4 0.845 8.860 -1.065 28 HE1 HIS 4 HE1 HIS 4 1.304 12.767 -2.591 29 HE2 HIS 4 HE2 HIS 4 -0.306 10.966 -1.864 30 H TYR 5 H TYR 5 1.879 6.901 -1.533 31 HA TYR 5 HA TYR 5 1.946 5.922 -3.480 32 HB2 TYR 5 HB2 TYR 5 4.787 6.913 -3.690 33 HB3 TYR 5 HB3 TYR 5 4.049 5.890 -4.917 34 HD1 TYR 5 HD1 TYR 5 2.194 6.707 -6.260 35 HD2 TYR 5 HD2 TYR 5 4.166 9.244 -3.488 36 HE1 TYR 5 HE1 TYR 5 1.189 8.659 -7.348 37 HE2 TYR 5 HE2 TYR 5 3.162 11.213 -4.573 38 HH TYR 5 HH TYR 5 2.215 11.828 -6.723 39 H GLY 6 H GLY 6 3.156 4.785 -0.837 40 HA2 GLY 6 HA2 GLY 6 4.298 2.379 -1.975 41 HA3 GLY 6 HA3 GLY 6 4.069 2.731 -0.261 42 H GLN 7 H GLN 7 3.365 0.323 -1.699 43 HA GLN 7 HA GLN 7 0.500 0.236 -1.866 44 HB2 GLN 7 HB2 GLN 7 1.983 -1.279 -3.193 45 HB3 GLN 7 HB3 GLN 7 2.520 -2.025 -1.699 46 HG2 GLN 7 HG2 GLN 7 0.183 -2.737 -1.269 47 HG3 GLN 7 HG3 GLN 7 -0.258 -2.080 -2.842 48 HE21 GLN 7 HE21 GLN 7 -0.459 -4.817 -1.943 49 HE22 GLN 7 HE22 GLN 7 0.462 -5.767 -3.012 50 H CYS 8 H CYS 8 -0.671 0.428 -0.028 51 HA CYS 8 HA CYS 8 0.494 -0.022 2.537 52 HB2 CYS 8 HB2 CYS 8 -1.620 0.589 3.494 53 HB3 CYS 8 HB3 CYS 8 -1.421 1.603 2.073 54 H GLY 9 H GLY 9 -1.760 -1.773 0.513 55 HA2 GLY 9 HA2 GLY 9 -0.985 -4.235 0.926 56 HA3 GLY 9 HA3 GLY 9 -1.818 -3.910 2.438 57 H GLY 10 H GLY 10 -2.110 -5.156 -0.529 58 HA2 GLY 10 HA2 GLY 10 -4.982 -4.691 -0.774 59 HA3 GLY 10 HA3 GLY 10 -3.907 -5.459 -1.940 60 H ILE 11 H ILE 11 -5.557 -7.149 -1.857 61 HA ILE 11 HA ILE 11 -5.984 -8.788 0.344 62 HB ILE 11 HB ILE 11 -5.828 -9.541 -2.590 63 HG12 ILE 11 HG12 ILE 11 -8.209 -8.931 -0.824 64 HG13 ILE 11 HG13 ILE 11 -7.530 -7.844 -2.030 65 HG21 ILE 11 HG21 ILE 11 -7.133 -11.523 -2.004 66 HG22 ILE 11 HG22 ILE 11 -6.981 -11.108 -0.289 67 HG23 ILE 11 HG23 ILE 11 -5.544 -11.505 -1.241 68 HD11 ILE 11 HD11 ILE 11 -8.127 -9.444 -3.788 69 HD12 ILE 11 HD12 ILE 11 -9.528 -8.930 -2.854 70 HD13 ILE 11 HD13 ILE 11 -8.810 -10.515 -2.563 71 H GLY 12 H GLY 12 -4.607 -9.936 1.554 72 HA2 GLY 12 HA2 GLY 12 -3.029 -11.650 1.897 73 HA3 GLY 12 HA3 GLY 12 -2.410 -11.369 0.281 74 H TYR 13 H TYR 13 -2.443 -8.382 1.105 75 HA TYR 13 HA TYR 13 0.264 -8.499 2.221 76 HB2 TYR 13 HB2 TYR 13 -0.173 -7.373 0.031 77 HB3 TYR 13 HB3 TYR 13 -1.183 -6.209 0.865 78 HD1 TYR 13 HD1 TYR 13 0.318 -5.200 3.049 79 HD2 TYR 13 HD2 TYR 13 1.797 -6.563 -0.688 80 HE1 TYR 13 HE1 TYR 13 2.242 -3.765 3.323 81 HE2 TYR 13 HE2 TYR 13 3.771 -5.137 -0.437 82 HH TYR 13 HH TYR 13 4.222 -2.912 0.845 83 H SER 14 H SER 14 0.394 -8.132 4.330 84 HA SER 14 HA SER 14 -1.513 -6.312 5.582 85 HB2 SER 14 HB2 SER 14 -0.653 -8.980 6.526 86 HB3 SER 14 HB3 SER 14 -1.671 -7.895 7.483 87 HG SER 14 HG SER 14 -3.169 -7.981 5.715 88 H GLY 15 H GLY 15 1.282 -6.034 4.709 89 HA2 GLY 15 HA2 GLY 15 2.870 -5.877 7.125 90 HA3 GLY 15 HA3 GLY 15 3.352 -5.374 5.517 91 HA PRO 16 HA PRO 16 2.793 -1.278 7.344 92 HB2 PRO 16 HB2 PRO 16 3.625 0.106 5.117 93 HB3 PRO 16 HB3 PRO 16 4.728 -0.555 6.323 94 HG2 PRO 16 HG2 PRO 16 3.929 -1.673 3.670 95 HG3 PRO 16 HG3 PRO 16 5.523 -1.653 4.441 96 HD2 PRO 16 HD2 PRO 16 3.965 -3.864 4.424 97 HD3 PRO 16 HD3 PRO 16 5.038 -3.469 5.780 98 H THR 17 H THR 17 0.492 -1.793 7.238 99 HA THR 17 HA THR 17 -0.996 -1.096 4.879 100 HB THR 17 HB THR 17 -2.896 -1.812 6.429 101 HG1 THR 17 HG1 THR 17 -1.902 -3.192 8.172 102 HG21 THR 17 HG21 THR 17 -0.634 -3.732 5.783 103 HG22 THR 17 HG22 THR 17 -1.945 -3.284 4.704 104 HG23 THR 17 HG23 THR 17 -2.290 -4.211 6.163 105 H VAL 18 H VAL 18 -0.053 0.411 7.810 106 HA VAL 18 HA VAL 18 -2.217 2.343 7.724 107 HB VAL 18 HB VAL 18 0.222 2.268 9.528 108 HG11 VAL 18 HG11 VAL 18 -0.710 4.497 9.369 109 HG12 VAL 18 HG12 VAL 18 -1.041 3.818 10.963 110 HG13 VAL 18 HG13 VAL 18 -2.320 3.885 9.749 111 HG21 VAL 18 HG21 VAL 18 -2.594 1.320 10.072 112 HG22 VAL 18 HG22 VAL 18 -1.289 1.389 11.259 113 HG23 VAL 18 HG23 VAL 18 -1.170 0.299 9.878 114 H CYS 19 H CYS 19 -2.048 3.968 6.326 115 HA CYS 19 HA CYS 19 0.446 4.597 5.078 116 HB2 CYS 19 HB2 CYS 19 -2.230 5.989 4.886 117 HB3 CYS 19 HB3 CYS 19 -0.855 6.230 3.814 118 H ALA 20 H ALA 20 1.570 6.519 5.216 119 HA ALA 20 HA ALA 20 1.818 7.755 7.686 120 HB1 ALA 20 HB1 ALA 20 3.209 9.403 6.528 121 HB2 ALA 20 HB2 ALA 20 2.590 8.841 4.975 122 HB3 ALA 20 HB3 ALA 20 3.572 7.769 5.975 123 H SER 21 H SER 21 1.076 9.666 8.523 124 HA SER 21 HA SER 21 -1.519 10.409 8.087 125 HB2 SER 21 HB2 SER 21 0.689 12.100 9.250 126 HB3 SER 21 HB3 SER 21 -1.034 12.194 9.628 127 HG SER 21 HG SER 21 -0.934 10.393 10.755 128 H GLY 22 H GLY 22 -2.409 11.400 6.411 129 HA2 GLY 22 HA2 GLY 22 -2.528 13.543 5.213 130 HA3 GLY 22 HA3 GLY 22 -0.806 13.338 4.894 131 H THR 23 H THR 23 -1.311 10.392 4.602 132 HA THR 23 HA THR 23 -2.272 10.555 1.830 133 HB THR 23 HB THR 23 -0.852 8.618 1.311 134 HG1 THR 23 HG1 THR 23 -0.251 8.724 4.102 135 HG21 THR 23 HG21 THR 23 0.181 10.818 1.154 136 HG22 THR 23 HG22 THR 23 1.360 9.625 1.710 137 HG23 THR 23 HG23 THR 23 0.620 10.741 2.858 138 H THR 24 H THR 24 -3.566 8.858 1.035 139 HA THR 24 HA THR 24 -4.814 7.170 3.076 140 HB THR 24 HB THR 24 -6.919 7.558 1.582 141 HG1 THR 24 HG1 THR 24 -5.174 9.223 0.408 142 HG21 THR 24 HG21 THR 24 -7.580 9.459 2.985 143 HG22 THR 24 HG22 THR 24 -5.897 9.726 3.431 144 HG23 THR 24 HG23 THR 24 -6.722 8.254 3.944 145 H CYS 25 H CYS 25 -5.034 5.073 2.481 146 HA CYS 25 HA CYS 25 -3.761 4.264 0.052 147 HB2 CYS 25 HB2 CYS 25 -3.601 2.997 2.241 148 HB3 CYS 25 HB3 CYS 25 -5.276 2.508 1.972 149 H GLN 26 H GLN 26 -4.640 4.330 -1.773 150 HA GLN 26 HA GLN 26 -7.507 4.040 -2.029 151 HB2 GLN 26 HB2 GLN 26 -5.410 4.830 -4.053 152 HB3 GLN 26 HB3 GLN 26 -7.152 4.891 -4.285 153 HG2 GLN 26 HG2 GLN 26 -5.594 6.488 -2.274 154 HG3 GLN 26 HG3 GLN 26 -6.219 7.109 -3.796 155 HE21 GLN 26 HE21 GLN 26 -6.764 7.948 -1.057 156 HE22 GLN 26 HE22 GLN 26 -8.470 7.781 -0.843 157 H VAL 27 H VAL 27 -8.279 2.159 -2.549 158 HA VAL 27 HA VAL 27 -6.562 -0.013 -3.297 159 HB VAL 27 HB VAL 27 -9.591 0.048 -3.132 160 HG11 VAL 27 HG11 VAL 27 -7.669 -2.268 -3.043 161 HG12 VAL 27 HG12 VAL 27 -8.721 -1.846 -4.388 162 HG13 VAL 27 HG13 VAL 27 -9.422 -2.375 -2.854 163 HG21 VAL 27 HG21 VAL 27 -9.335 -0.903 -0.878 164 HG22 VAL 27 HG22 VAL 27 -8.632 0.713 -0.995 165 HG23 VAL 27 HG23 VAL 27 -7.586 -0.705 -1.010 166 H LEU 28 H LEU 28 -5.780 0.375 -5.253 167 HA LEU 28 HA LEU 28 -7.355 1.390 -7.455 168 HB2 LEU 28 HB2 LEU 28 -4.549 0.285 -7.414 169 HB3 LEU 28 HB3 LEU 28 -5.267 1.235 -8.695 170 HG LEU 28 HG LEU 28 -4.688 2.255 -5.906 171 HD11 LEU 28 HD11 LEU 28 -3.249 2.725 -8.506 172 HD12 LEU 28 HD12 LEU 28 -2.653 1.820 -7.112 173 HD13 LEU 28 HD13 LEU 28 -2.931 3.557 -6.984 174 HD21 LEU 28 HD21 LEU 28 -6.566 3.377 -6.964 175 HD22 LEU 28 HD22 LEU 28 -5.557 3.669 -8.391 176 HD23 LEU 28 HD23 LEU 28 -5.146 4.430 -6.852 177 H ASN 29 H ASN 29 -6.114 -1.633 -6.303 178 HA ASN 29 HA ASN 29 -7.614 -3.103 -8.295 179 HB2 ASN 29 HB2 ASN 29 -4.658 -3.515 -7.718 180 HB3 ASN 29 HB3 ASN 29 -5.685 -4.640 -8.589 181 HD21 ASN 29 HD21 ASN 29 -3.990 -1.620 -8.739 182 HD22 ASN 29 HD22 ASN 29 -4.154 -1.413 -10.444 183 HA PRO 30 HA PRO 30 -8.465 -5.758 -4.784 184 HB2 PRO 30 HB2 PRO 30 -7.209 -8.032 -6.255 185 HB3 PRO 30 HB3 PRO 30 -8.788 -7.946 -5.460 186 HG2 PRO 30 HG2 PRO 30 -8.673 -7.808 -8.083 187 HG3 PRO 30 HG3 PRO 30 -9.729 -6.692 -7.195 188 HD2 PRO 30 HD2 PRO 30 -7.040 -6.191 -8.402 189 HD3 PRO 30 HD3 PRO 30 -8.482 -5.152 -8.432 190 H TYR 31 H TYR 31 -5.214 -6.418 -6.181 191 HA TYR 31 HA TYR 31 -4.334 -6.957 -3.432 192 HB2 TYR 31 HB2 TYR 31 -2.922 -7.521 -6.060 193 HB3 TYR 31 HB3 TYR 31 -2.317 -7.940 -4.472 194 HD1 TYR 31 HD1 TYR 31 -5.078 -8.637 -6.870 195 HD2 TYR 31 HD2 TYR 31 -2.937 -9.952 -3.447 196 HE1 TYR 31 HE1 TYR 31 -6.224 -10.810 -6.993 197 HE2 TYR 31 HE2 TYR 31 -4.077 -12.116 -3.557 198 HH TYR 31 HH TYR 31 -5.896 -13.075 -6.256 199 H TYR 32 H TYR 32 -3.955 -4.743 -6.105 200 HA TYR 32 HA TYR 32 -1.760 -3.456 -4.701 201 HB2 TYR 32 HB2 TYR 32 -1.607 -3.790 -7.186 202 HB3 TYR 32 HB3 TYR 32 -2.921 -2.636 -7.369 203 HD1 TYR 32 HD1 TYR 32 0.456 -2.920 -5.821 204 HD2 TYR 32 HD2 TYR 32 -2.403 -0.378 -7.692 205 HE1 TYR 32 HE1 TYR 32 2.101 -1.097 -5.841 206 HE2 TYR 32 HE2 TYR 32 -0.772 1.454 -7.712 207 HH TYR 32 HH TYR 32 1.264 2.137 -6.592 208 H SER 33 H SER 33 -2.196 -2.061 -3.206 209 HA SER 33 HA SER 33 -4.269 -0.054 -3.660 210 HB2 SER 33 HB2 SER 33 -3.667 -1.463 -1.026 211 HB3 SER 33 HB3 SER 33 -4.880 -0.206 -1.276 212 HG SER 33 HG SER 33 -5.246 -2.222 -3.037 213 H GLN 34 H GLN 34 -3.421 1.989 -3.372 214 HA GLN 34 HA GLN 34 -0.683 2.105 -2.293 215 HB2 GLN 34 HB2 GLN 34 -0.414 2.189 -4.626 216 HB3 GLN 34 HB3 GLN 34 -1.787 3.260 -4.840 217 HG2 GLN 34 HG2 GLN 34 -0.554 5.098 -3.923 218 HG3 GLN 34 HG3 GLN 34 0.797 4.035 -3.509 219 HE21 GLN 34 HE21 GLN 34 2.242 3.469 -5.089 220 HE22 GLN 34 HE22 GLN 34 2.197 4.131 -6.679 221 H CYS 35 H CYS 35 -0.218 3.674 -0.892 222 HA CYS 35 HA CYS 35 -2.294 5.384 0.128 223 HB2 CYS 35 HB2 CYS 35 0.663 5.502 0.742 224 HB3 CYS 35 HB3 CYS 35 -0.658 6.190 1.671 225 H LEU 36 H LEU 36 -2.983 6.993 -0.976 226 HA LEU 36 HA LEU 36 -1.094 8.737 -2.330 227 HB2 LEU 36 HB2 LEU 36 -3.997 8.141 -2.924 228 HB3 LEU 36 HB3 LEU 36 -3.058 9.385 -3.723 229 HG LEU 36 HG LEU 36 -2.484 6.423 -3.851 230 HD11 LEU 36 HD11 LEU 36 -3.188 6.600 -6.172 231 HD12 LEU 36 HD12 LEU 36 -3.645 8.289 -5.919 232 HD13 LEU 36 HD13 LEU 36 -4.506 7.001 -5.076 233 HD21 LEU 36 HD21 LEU 36 -0.889 7.074 -5.603 234 HD22 LEU 36 HD22 LEU 36 -0.461 7.719 -4.026 235 HD23 LEU 36 HD23 LEU 36 -1.206 8.770 -5.237 236 H2 BGC 101 H2 BGC 101 8.576 3.670 0.340 237 H3 BGC 101 H3 BGC 101 6.258 1.752 0.630 238 H4 BGC 101 H4 BGC 101 9.143 1.681 1.628 239 H5 BGC 101 H5 BGC 101 6.433 1.933 3.082 240 H6C1 BGC 101 H61 BGC 101 9.306 2.012 4.116 241 H6C2 BGC 101 H62 BGC 101 8.075 0.800 4.546 242 H1 BGC 101 H1 BGC 101 5.852 3.805 1.670 243 HB BGC 101 HO2 BGC 101 6.965 4.816 -0.835 244 HC BGC 101 HO3 BGC 101 7.343 1.805 -1.360 245 HD BGC 101 HO4 BGC 101 8.414 -0.295 2.621 246 H6 BGC 101 HO6 BGC 101 6.929 2.396 5.700 Start of MODEL 3 1 H1 THR 1 H1 THR 1 5.906 2.440 8.644 2 H2 THR 1 H2 THR 1 4.716 1.265 8.403 3 H3 THR 1 H3 THR 1 4.785 2.133 9.863 4 HA THR 1 HA THR 1 3.026 2.913 8.447 5 HB THR 1 HB THR 1 5.259 4.940 8.735 6 HG1 THR 1 HG1 THR 1 4.403 5.084 10.928 7 HG21 THR 1 HG21 THR 1 2.259 5.119 9.133 8 HG22 THR 1 HG22 THR 1 3.122 5.688 7.708 9 HG23 THR 1 HG23 THR 1 3.406 6.451 9.271 10 H GLN 2 H GLN 2 2.450 2.931 6.358 11 HA GLN 2 HA GLN 2 4.473 2.644 4.352 12 HB2 GLN 2 HB2 GLN 2 2.364 1.317 4.321 13 HB3 GLN 2 HB3 GLN 2 1.467 2.802 4.041 14 HG2 GLN 2 HG2 GLN 2 1.807 1.550 1.979 15 HG3 GLN 2 HG3 GLN 2 2.603 3.124 1.929 16 HE21 GLN 2 HE21 GLN 2 3.052 -0.293 2.008 17 HE22 GLN 2 HE22 GLN 2 4.743 -0.288 1.673 18 H SER 3 H SER 3 5.210 4.134 3.025 19 HA SER 3 HA SER 3 4.490 6.833 3.538 20 HB2 SER 3 HB2 SER 3 6.449 7.426 2.320 21 HB3 SER 3 HB3 SER 3 6.852 6.075 3.349 22 H HIS 4 H HIS 4 4.657 8.288 1.409 23 HA HIS 4 HA HIS 4 2.150 7.908 0.136 24 HB2 HIS 4 HB2 HIS 4 3.423 10.122 0.642 25 HB3 HIS 4 HB3 HIS 4 4.323 9.786 -0.829 26 HD1 HIS 4 HD1 HIS 4 3.159 12.212 -1.487 27 HD2 HIS 4 HD2 HIS 4 0.644 8.916 -1.241 28 HE1 HIS 4 HE1 HIS 4 1.034 12.906 -2.579 29 HE2 HIS 4 HE2 HIS 4 -0.532 11.066 -1.865 30 H TYR 5 H TYR 5 1.694 6.806 -1.658 31 HA TYR 5 HA TYR 5 1.793 5.810 -3.587 32 HB2 TYR 5 HB2 TYR 5 4.615 6.839 -3.821 33 HB3 TYR 5 HB3 TYR 5 3.908 5.770 -5.029 34 HD1 TYR 5 HD1 TYR 5 2.206 6.564 -6.540 35 HD2 TYR 5 HD2 TYR 5 3.787 9.134 -3.546 36 HE1 TYR 5 HE1 TYR 5 1.192 8.490 -7.671 37 HE2 TYR 5 HE2 TYR 5 2.775 11.069 -4.669 38 HH TYR 5 HH TYR 5 0.584 10.673 -7.367 39 H GLY 6 H GLY 6 3.186 4.778 -0.900 40 HA2 GLY 6 HA2 GLY 6 4.328 2.344 -1.920 41 HA3 GLY 6 HA3 GLY 6 4.043 2.748 -0.230 42 H GLN 7 H GLN 7 3.475 0.227 -1.109 43 HA GLN 7 HA GLN 7 0.698 0.032 -1.850 44 HB2 GLN 7 HB2 GLN 7 2.509 -1.576 -2.624 45 HB3 GLN 7 HB3 GLN 7 2.514 -2.219 -0.988 46 HG2 GLN 7 HG2 GLN 7 0.181 -2.867 -1.213 47 HG3 GLN 7 HG3 GLN 7 0.130 -2.177 -2.832 48 HE21 GLN 7 HE21 GLN 7 -0.478 -4.883 -2.177 49 HE22 GLN 7 HE22 GLN 7 0.682 -5.852 -2.978 50 H CYS 8 H CYS 8 -0.787 0.370 -0.390 51 HA CYS 8 HA CYS 8 -0.163 0.185 2.440 52 HB2 CYS 8 HB2 CYS 8 -2.346 1.275 2.733 53 HB3 CYS 8 HB3 CYS 8 -1.213 2.164 1.724 54 H GLY 9 H GLY 9 -1.158 -2.131 0.471 55 HA2 GLY 9 HA2 GLY 9 -1.727 -4.200 1.739 56 HA3 GLY 9 HA3 GLY 9 -2.849 -3.197 2.641 57 H GLY 10 H GLY 10 -2.266 -4.999 -0.153 58 HA2 GLY 10 HA2 GLY 10 -5.017 -4.624 -1.066 59 HA3 GLY 10 HA3 GLY 10 -3.708 -5.458 -1.920 60 H ILE 11 H ILE 11 -5.583 -7.088 -1.987 61 HA ILE 11 HA ILE 11 -6.246 -8.577 0.273 62 HB ILE 11 HB ILE 11 -6.033 -9.468 -2.614 63 HG12 ILE 11 HG12 ILE 11 -8.438 -8.648 -0.965 64 HG13 ILE 11 HG13 ILE 11 -7.651 -7.651 -2.180 65 HG21 ILE 11 HG21 ILE 11 -7.341 -10.870 -0.289 66 HG22 ILE 11 HG22 ILE 11 -5.904 -11.394 -1.174 67 HG23 ILE 11 HG23 ILE 11 -7.469 -11.342 -1.989 68 HD11 ILE 11 HD11 ILE 11 -9.068 -10.263 -2.668 69 HD12 ILE 11 HD12 ILE 11 -8.274 -9.276 -3.897 70 HD13 ILE 11 HD13 ILE 11 -9.681 -8.651 -3.039 71 H GLY 12 H GLY 12 -4.933 -9.516 1.632 72 HA2 GLY 12 HA2 GLY 12 -3.548 -11.274 2.291 73 HA3 GLY 12 HA3 GLY 12 -2.982 -11.435 0.636 74 H TYR 13 H TYR 13 -2.887 -8.217 1.408 75 HA TYR 13 HA TYR 13 -0.041 -8.472 2.090 76 HB2 TYR 13 HB2 TYR 13 -0.663 -7.254 -0.058 77 HB3 TYR 13 HB3 TYR 13 -1.485 -6.071 0.944 78 HD1 TYR 13 HD1 TYR 13 1.633 -7.138 -0.459 79 HD2 TYR 13 HD2 TYR 13 -0.054 -4.668 2.566 80 HE1 TYR 13 HE1 TYR 13 3.742 -5.880 -0.301 81 HE2 TYR 13 HE2 TYR 13 2.041 -3.417 2.720 82 HH TYR 13 HH TYR 13 4.395 -3.707 2.220 83 H SER 14 H SER 14 0.125 -8.358 4.235 84 HA SER 14 HA SER 14 -1.651 -6.513 5.659 85 HB2 SER 14 HB2 SER 14 -1.390 -8.161 7.554 86 HB3 SER 14 HB3 SER 14 -2.303 -8.729 6.156 87 HG SER 14 HG SER 14 -0.943 -10.321 6.170 88 H GLY 15 H GLY 15 1.304 -6.458 4.611 89 HA2 GLY 15 HA2 GLY 15 2.848 -6.051 7.010 90 HA3 GLY 15 HA3 GLY 15 3.357 -5.689 5.369 91 HA PRO 16 HA PRO 16 2.888 -1.461 6.926 92 HB2 PRO 16 HB2 PRO 16 3.813 -0.284 4.589 93 HB3 PRO 16 HB3 PRO 16 4.852 -0.795 5.922 94 HG2 PRO 16 HG2 PRO 16 4.247 -2.167 3.354 95 HG3 PRO 16 HG3 PRO 16 5.764 -2.096 4.266 96 HD2 PRO 16 HD2 PRO 16 4.160 -4.271 4.271 97 HD3 PRO 16 HD3 PRO 16 5.152 -3.813 5.667 98 H THR 17 H THR 17 0.770 -1.361 6.987 99 HA THR 17 HA THR 17 -0.736 -1.040 4.497 100 HB THR 17 HB THR 17 -2.649 -1.846 6.040 101 HG1 THR 17 HG1 THR 17 -0.423 -2.965 7.400 102 HG21 THR 17 HG21 THR 17 -2.113 -4.180 5.558 103 HG22 THR 17 HG22 THR 17 -0.418 -3.756 5.327 104 HG23 THR 17 HG23 THR 17 -1.626 -3.171 4.191 105 H VAL 18 H VAL 18 -0.022 0.283 7.603 106 HA VAL 18 HA VAL 18 -2.164 2.197 7.545 107 HB VAL 18 HB VAL 18 0.266 2.009 9.356 108 HG11 VAL 18 HG11 VAL 18 -0.636 4.278 9.293 109 HG12 VAL 18 HG12 VAL 18 -0.954 3.519 10.850 110 HG13 VAL 18 HG13 VAL 18 -2.246 3.656 9.657 111 HG21 VAL 18 HG21 VAL 18 -2.585 1.134 9.825 112 HG22 VAL 18 HG22 VAL 18 -1.275 1.062 11.006 113 HG23 VAL 18 HG23 VAL 18 -1.210 0.069 9.552 114 H CYS 19 H CYS 19 -2.046 3.854 6.214 115 HA CYS 19 HA CYS 19 0.403 4.706 5.037 116 HB2 CYS 19 HB2 CYS 19 -2.357 5.956 4.883 117 HB3 CYS 19 HB3 CYS 19 -0.964 6.306 3.853 118 H ALA 20 H ALA 20 1.442 6.582 5.331 119 HA ALA 20 HA ALA 20 1.600 7.675 7.901 120 HB1 ALA 20 HB1 ALA 20 3.447 7.699 6.310 121 HB2 ALA 20 HB2 ALA 20 3.091 9.326 6.899 122 HB3 ALA 20 HB3 ALA 20 2.560 8.831 5.294 123 H SER 21 H SER 21 1.214 9.866 8.571 124 HA SER 21 HA SER 21 -1.366 10.769 8.199 125 HB2 SER 21 HB2 SER 21 -0.383 12.855 9.325 126 HB3 SER 21 HB3 SER 21 -0.203 11.318 10.183 127 HG SER 21 HG SER 21 1.736 12.325 8.419 128 H GLY 22 H GLY 22 -2.212 11.639 6.429 129 HA2 GLY 22 HA2 GLY 22 -2.264 13.572 4.973 130 HA3 GLY 22 HA3 GLY 22 -0.523 13.393 4.778 131 H THR 23 H THR 23 -1.624 10.316 4.784 132 HA THR 23 HA THR 23 -2.242 10.378 1.922 133 HB THR 23 HB THR 23 -0.958 8.292 1.613 134 HG1 THR 23 HG1 THR 23 -0.446 8.669 4.365 135 HG21 THR 23 HG21 THR 23 1.294 9.271 1.746 136 HG22 THR 23 HG22 THR 23 0.633 10.587 2.723 137 HG23 THR 23 HG23 THR 23 0.104 10.372 1.055 138 H THR 24 H THR 24 -3.679 8.795 1.171 139 HA THR 24 HA THR 24 -5.077 7.320 3.293 140 HB THR 24 HB THR 24 -7.082 7.522 1.715 141 HG1 THR 24 HG1 THR 24 -5.213 9.113 0.366 142 HG21 THR 24 HG21 THR 24 -5.993 10.054 2.965 143 HG22 THR 24 HG22 THR 24 -6.915 8.804 3.801 144 HG23 THR 24 HG23 THR 24 -7.678 9.759 2.530 145 H CYS 25 H CYS 25 -5.686 5.169 2.823 146 HA CYS 25 HA CYS 25 -4.050 3.937 0.823 147 HB2 CYS 25 HB2 CYS 25 -4.341 2.849 3.017 148 HB3 CYS 25 HB3 CYS 25 -6.068 2.704 2.715 149 H GLN 26 H GLN 26 -4.678 4.132 -1.196 150 HA GLN 26 HA GLN 26 -7.504 3.879 -1.838 151 HB2 GLN 26 HB2 GLN 26 -5.177 4.811 -3.531 152 HB3 GLN 26 HB3 GLN 26 -6.869 4.825 -4.002 153 HG2 GLN 26 HG2 GLN 26 -5.633 6.438 -1.775 154 HG3 GLN 26 HG3 GLN 26 -6.138 7.050 -3.350 155 HE21 GLN 26 HE21 GLN 26 -7.017 7.841 -0.699 156 HE22 GLN 26 HE22 GLN 26 -8.709 7.592 -0.663 157 H VAL 27 H VAL 27 -8.101 1.890 -2.330 158 HA VAL 27 HA VAL 27 -6.194 -0.081 -3.177 159 HB VAL 27 HB VAL 27 -9.227 -0.279 -3.031 160 HG11 VAL 27 HG11 VAL 27 -8.250 -1.989 -4.478 161 HG12 VAL 27 HG12 VAL 27 -8.863 -2.708 -2.988 162 HG13 VAL 27 HG13 VAL 27 -7.133 -2.452 -3.194 163 HG21 VAL 27 HG21 VAL 27 -8.871 -1.431 -0.896 164 HG22 VAL 27 HG22 VAL 27 -8.256 0.225 -0.857 165 HG23 VAL 27 HG23 VAL 27 -7.137 -1.128 -1.032 166 H LEU 28 H LEU 28 -5.452 0.026 -5.124 167 HA LEU 28 HA LEU 28 -6.953 1.311 -7.268 168 HB2 LEU 28 HB2 LEU 28 -4.174 0.156 -7.287 169 HB3 LEU 28 HB3 LEU 28 -4.876 1.200 -8.499 170 HG LEU 28 HG LEU 28 -4.172 1.993 -5.669 171 HD11 LEU 28 HD11 LEU 28 -2.248 1.661 -7.051 172 HD12 LEU 28 HD12 LEU 28 -2.493 3.390 -6.778 173 HD13 LEU 28 HD13 LEU 28 -2.935 2.665 -8.324 174 HD21 LEU 28 HD21 LEU 28 -6.112 3.198 -6.495 175 HD22 LEU 28 HD22 LEU 28 -5.187 3.619 -7.954 176 HD23 LEU 28 HD23 LEU 28 -4.676 4.237 -6.376 177 H ASN 29 H ASN 29 -5.441 -1.737 -6.443 178 HA ASN 29 HA ASN 29 -6.959 -3.104 -8.543 179 HB2 ASN 29 HB2 ASN 29 -4.108 -3.752 -7.646 180 HB3 ASN 29 HB3 ASN 29 -5.065 -4.669 -8.774 181 HD21 ASN 29 HD21 ASN 29 -4.875 -1.198 -8.922 182 HD22 ASN 29 HD22 ASN 29 -3.921 -1.107 -10.359 183 HA PRO 30 HA PRO 30 -8.225 -5.701 -5.115 184 HB2 PRO 30 HB2 PRO 30 -6.982 -8.084 -6.405 185 HB3 PRO 30 HB3 PRO 30 -8.629 -7.868 -5.802 186 HG2 PRO 30 HG2 PRO 30 -8.157 -7.818 -8.403 187 HG3 PRO 30 HG3 PRO 30 -9.295 -6.662 -7.682 188 HD2 PRO 30 HD2 PRO 30 -6.473 -6.237 -8.582 189 HD3 PRO 30 HD3 PRO 30 -7.872 -5.167 -8.758 190 H TYR 31 H TYR 31 -4.931 -6.482 -6.248 191 HA TYR 31 HA TYR 31 -4.256 -7.079 -3.459 192 HB2 TYR 31 HB2 TYR 31 -2.604 -7.677 -5.937 193 HB3 TYR 31 HB3 TYR 31 -2.269 -8.204 -4.299 194 HD1 TYR 31 HD1 TYR 31 -3.801 -9.830 -3.201 195 HD2 TYR 31 HD2 TYR 31 -4.107 -8.916 -7.333 196 HE1 TYR 31 HE1 TYR 31 -5.124 -11.850 -3.541 197 HE2 TYR 31 HE2 TYR 31 -5.444 -10.942 -7.692 198 HH TYR 31 HH TYR 31 -5.744 -13.119 -6.588 199 H TYR 32 H TYR 32 -3.648 -4.842 -6.051 200 HA TYR 32 HA TYR 32 -1.496 -3.629 -4.510 201 HB2 TYR 32 HB2 TYR 32 -1.131 -3.932 -6.951 202 HB3 TYR 32 HB3 TYR 32 -2.444 -2.801 -7.259 203 HD1 TYR 32 HD1 TYR 32 -1.964 -0.498 -7.502 204 HD2 TYR 32 HD2 TYR 32 0.801 -3.038 -5.463 205 HE1 TYR 32 HE1 TYR 32 -0.357 1.345 -7.360 206 HE2 TYR 32 HE2 TYR 32 2.398 -1.175 -5.318 207 HH TYR 32 HH TYR 32 1.512 2.035 -6.086 208 H SER 33 H SER 33 -1.990 -2.202 -3.039 209 HA SER 33 HA SER 33 -4.067 -0.221 -3.627 210 HB2 SER 33 HB2 SER 33 -3.231 -1.284 -0.912 211 HB3 SER 33 HB3 SER 33 -4.557 -0.169 -1.242 212 HG SER 33 HG SER 33 -4.981 -2.528 -0.940 213 H GLN 34 H GLN 34 -3.422 1.946 -2.992 214 HA GLN 34 HA GLN 34 -0.602 2.186 -2.264 215 HB2 GLN 34 HB2 GLN 34 -0.512 2.247 -4.618 216 HB3 GLN 34 HB3 GLN 34 -1.940 3.251 -4.724 217 HG2 GLN 34 HG2 GLN 34 -0.733 5.162 -3.974 218 HG3 GLN 34 HG3 GLN 34 0.673 4.157 -3.585 219 HE21 GLN 34 HE21 GLN 34 2.093 3.613 -5.176 220 HE22 GLN 34 HE22 GLN 34 1.945 4.176 -6.804 221 H CYS 35 H CYS 35 -0.148 3.814 -0.910 222 HA CYS 35 HA CYS 35 -2.311 5.367 0.168 223 HB2 CYS 35 HB2 CYS 35 0.653 5.762 0.772 224 HB3 CYS 35 HB3 CYS 35 -0.730 6.335 1.670 225 H LEU 36 H LEU 36 -3.084 7.024 -0.830 226 HA LEU 36 HA LEU 36 -1.293 8.817 -2.283 227 HB2 LEU 36 HB2 LEU 36 -4.200 8.191 -2.786 228 HB3 LEU 36 HB3 LEU 36 -3.299 9.449 -3.606 229 HG LEU 36 HG LEU 36 -2.675 6.499 -3.762 230 HD11 LEU 36 HD11 LEU 36 -3.500 6.659 -6.048 231 HD12 LEU 36 HD12 LEU 36 -3.958 8.342 -5.772 232 HD13 LEU 36 HD13 LEU 36 -4.761 7.051 -4.881 233 HD21 LEU 36 HD21 LEU 36 -1.142 7.163 -5.560 234 HD22 LEU 36 HD22 LEU 36 -0.685 7.892 -4.024 235 HD23 LEU 36 HD23 LEU 36 -1.512 8.858 -5.248 236 H2 BGC 101 H2 BGC 101 8.511 4.102 0.051 237 H3 BGC 101 H3 BGC 101 6.459 1.871 0.216 238 H4 BGC 101 H4 BGC 101 9.304 2.241 1.169 239 H5 BGC 101 H5 BGC 101 6.617 1.901 2.647 240 H6C1 BGC 101 H61 BGC 101 9.483 2.231 3.614 241 H6C2 BGC 101 H62 BGC 101 8.404 0.867 3.978 242 H1 BGC 101 H1 BGC 101 5.776 3.877 1.387 243 HB BGC 101 HO2 BGC 101 7.232 3.784 -1.818 244 HC BGC 101 HO3 BGC 101 8.024 0.776 -1.020 245 HD BGC 101 HO4 BGC 101 9.053 0.105 1.923 246 H6 BGC 101 HO6 BGC 101 7.642 3.525 4.618 Start of MODEL 4 1 H1 THR 1 H1 THR 1 5.747 2.657 9.041 2 H2 THR 1 H2 THR 1 4.573 1.427 9.032 3 H3 THR 1 H3 THR 1 4.640 2.568 10.301 4 HA THR 1 HA THR 1 2.856 3.015 8.755 5 HB THR 1 HB THR 1 5.054 5.106 8.809 6 HG1 THR 1 HG1 THR 1 4.169 5.578 10.910 7 HG21 THR 1 HG21 THR 1 2.031 5.318 8.957 8 HG22 THR 1 HG22 THR 1 3.007 5.688 7.538 9 HG23 THR 1 HG23 THR 1 3.170 6.665 8.997 10 H GLN 2 H GLN 2 2.231 3.145 6.645 11 HA GLN 2 HA GLN 2 4.190 2.394 4.681 12 HB2 GLN 2 HB2 GLN 2 1.912 1.381 4.736 13 HB3 GLN 2 HB3 GLN 2 1.235 2.956 4.372 14 HG2 GLN 2 HG2 GLN 2 1.362 1.506 2.399 15 HG3 GLN 2 HG3 GLN 2 2.311 2.979 2.216 16 HE21 GLN 2 HE21 GLN 2 2.424 -0.435 2.663 17 HE22 GLN 2 HE22 GLN 2 4.075 -0.644 2.232 18 H SER 3 H SER 3 5.280 3.769 3.530 19 HA SER 3 HA SER 3 4.828 6.531 3.690 20 HB2 SER 3 HB2 SER 3 6.834 6.749 2.355 21 HB3 SER 3 HB3 SER 3 7.081 5.486 3.540 22 H HIS 4 H HIS 4 4.740 7.921 1.752 23 HA HIS 4 HA HIS 4 2.373 7.537 0.306 24 HB2 HIS 4 HB2 HIS 4 3.549 9.730 0.853 25 HB3 HIS 4 HB3 HIS 4 4.689 9.346 -0.421 26 HD1 HIS 4 HD1 HIS 4 3.885 11.655 -1.443 27 HD2 HIS 4 HD2 HIS 4 1.011 8.674 -1.372 28 HE1 HIS 4 HE1 HIS 4 2.019 12.463 -2.928 29 HE2 HIS 4 HE2 HIS 4 0.212 10.892 -2.435 30 H TYR 5 H TYR 5 1.959 6.572 -1.634 31 HA TYR 5 HA TYR 5 2.165 5.573 -3.579 32 HB2 TYR 5 HB2 TYR 5 5.126 6.219 -3.509 33 HB3 TYR 5 HB3 TYR 5 4.328 5.420 -4.852 34 HD1 TYR 5 HD1 TYR 5 5.330 8.526 -3.496 35 HD2 TYR 5 HD2 TYR 5 2.325 6.720 -5.903 36 HE1 TYR 5 HE1 TYR 5 4.790 10.717 -4.457 37 HE2 TYR 5 HE2 TYR 5 1.782 8.907 -6.871 38 HH TYR 5 HH TYR 5 3.771 11.604 -6.494 39 H GLY 6 H GLY 6 3.219 4.448 -0.763 40 HA2 GLY 6 HA2 GLY 6 4.283 1.939 -1.696 41 HA3 GLY 6 HA3 GLY 6 3.933 2.391 -0.032 42 H GLN 7 H GLN 7 3.269 -0.113 -1.052 43 HA GLN 7 HA GLN 7 0.520 -0.108 -1.842 44 HB2 GLN 7 HB2 GLN 7 2.247 -1.793 -2.582 45 HB3 GLN 7 HB3 GLN 7 2.213 -2.455 -0.953 46 HG2 GLN 7 HG2 GLN 7 -0.171 -2.989 -1.252 47 HG3 GLN 7 HG3 GLN 7 -0.097 -2.334 -2.885 48 HE21 GLN 7 HE21 GLN 7 -0.803 -5.039 -2.206 49 HE22 GLN 7 HE22 GLN 7 0.379 -6.044 -2.911 50 H CYS 8 H CYS 8 -0.997 0.318 -0.420 51 HA CYS 8 HA CYS 8 -0.432 0.215 2.420 52 HB2 CYS 8 HB2 CYS 8 -2.623 1.342 2.644 53 HB3 CYS 8 HB3 CYS 8 -1.449 2.184 1.640 54 H GLY 9 H GLY 9 -1.249 -2.244 0.691 55 HA2 GLY 9 HA2 GLY 9 -1.884 -4.197 2.085 56 HA3 GLY 9 HA3 GLY 9 -3.129 -3.167 2.771 57 H GLY 10 H GLY 10 -2.111 -4.894 -0.021 58 HA2 GLY 10 HA2 GLY 10 -4.858 -4.879 -1.008 59 HA3 GLY 10 HA3 GLY 10 -3.442 -5.435 -1.909 60 H ILE 11 H ILE 11 -5.220 -7.265 -2.021 61 HA ILE 11 HA ILE 11 -5.512 -9.024 0.136 62 HB ILE 11 HB ILE 11 -5.414 -9.732 -2.816 63 HG12 ILE 11 HG12 ILE 11 -7.809 -9.065 -1.088 64 HG13 ILE 11 HG13 ILE 11 -7.074 -7.962 -2.242 65 HG21 ILE 11 HG21 ILE 11 -5.208 -11.686 -1.356 66 HG22 ILE 11 HG22 ILE 11 -6.766 -11.675 -2.181 67 HG23 ILE 11 HG23 ILE 11 -6.666 -11.205 -0.487 68 HD11 ILE 11 HD11 ILE 11 -9.055 -8.985 -3.170 69 HD12 ILE 11 HD12 ILE 11 -8.387 -10.589 -2.886 70 HD13 ILE 11 HD13 ILE 11 -7.627 -9.512 -4.058 71 H GLY 12 H GLY 12 -3.970 -10.057 1.196 72 HA2 GLY 12 HA2 GLY 12 -2.293 -11.713 1.344 73 HA3 GLY 12 HA3 GLY 12 -1.765 -11.296 -0.278 74 H TYR 13 H TYR 13 -2.100 -8.374 0.917 75 HA TYR 13 HA TYR 13 0.680 -8.310 1.824 76 HB2 TYR 13 HB2 TYR 13 -0.009 -6.877 -0.149 77 HB3 TYR 13 HB3 TYR 13 -1.073 -6.000 0.940 78 HD1 TYR 13 HD1 TYR 13 -0.012 -4.688 2.867 79 HD2 TYR 13 HD2 TYR 13 2.273 -6.324 -0.327 80 HE1 TYR 13 HE1 TYR 13 1.823 -3.181 3.426 81 HE2 TYR 13 HE2 TYR 13 4.129 -4.819 0.226 82 HH TYR 13 HH TYR 13 4.412 -2.621 1.354 83 H SER 14 H SER 14 0.713 -8.529 3.966 84 HA SER 14 HA SER 14 -1.350 -7.172 5.537 85 HB2 SER 14 HB2 SER 14 0.409 -9.435 6.266 86 HB3 SER 14 HB3 SER 14 -0.965 -8.855 7.217 87 HG SER 14 HG SER 14 -2.326 -9.438 5.482 88 H GLY 15 H GLY 15 1.528 -6.437 4.465 89 HA2 GLY 15 HA2 GLY 15 3.080 -5.837 6.787 90 HA3 GLY 15 HA3 GLY 15 3.358 -5.247 5.156 91 HA PRO 16 HA PRO 16 2.189 -1.515 7.556 92 HB2 PRO 16 HB2 PRO 16 3.291 0.265 5.753 93 HB3 PRO 16 HB3 PRO 16 4.169 -0.464 7.099 94 HG2 PRO 16 HG2 PRO 16 4.127 -1.245 4.224 95 HG3 PRO 16 HG3 PRO 16 5.493 -1.203 5.351 96 HD2 PRO 16 HD2 PRO 16 4.262 -3.495 4.670 97 HD3 PRO 16 HD3 PRO 16 4.936 -3.232 6.292 98 H THR 17 H THR 17 0.053 -1.479 7.315 99 HA THR 17 HA THR 17 -1.125 -0.936 4.739 100 HB THR 17 HB THR 17 -3.255 -1.424 6.062 101 HG1 THR 17 HG1 THR 17 -2.974 -1.590 8.152 102 HG21 THR 17 HG21 THR 17 -2.177 -3.080 4.584 103 HG22 THR 17 HG22 THR 17 -2.867 -3.863 6.004 104 HG23 THR 17 HG23 THR 17 -1.127 -3.575 5.906 105 H VAL 18 H VAL 18 -0.645 0.501 7.881 106 HA VAL 18 HA VAL 18 -2.508 2.635 7.435 107 HB VAL 18 HB VAL 18 -0.320 2.392 9.522 108 HG11 VAL 18 HG11 VAL 18 -2.625 4.332 9.325 109 HG12 VAL 18 HG12 VAL 18 -0.905 4.719 9.204 110 HG13 VAL 18 HG13 VAL 18 -1.579 4.143 10.730 111 HG21 VAL 18 HG21 VAL 18 -3.284 1.870 9.698 112 HG22 VAL 18 HG22 VAL 18 -2.152 1.822 11.049 113 HG23 VAL 18 HG23 VAL 18 -2.009 0.653 9.731 114 H CYS 19 H CYS 19 -2.171 4.172 6.069 115 HA CYS 19 HA CYS 19 0.382 4.797 4.957 116 HB2 CYS 19 HB2 CYS 19 -2.258 6.235 4.670 117 HB3 CYS 19 HB3 CYS 19 -0.839 6.410 3.641 118 H ALA 20 H ALA 20 1.515 6.705 5.131 119 HA ALA 20 HA ALA 20 1.782 7.900 7.620 120 HB1 ALA 20 HB1 ALA 20 3.252 9.500 6.526 121 HB2 ALA 20 HB2 ALA 20 2.617 9.028 4.952 122 HB3 ALA 20 HB3 ALA 20 3.540 7.872 5.914 123 H SER 21 H SER 21 1.484 10.146 8.249 124 HA SER 21 HA SER 21 -1.130 10.924 8.062 125 HB2 SER 21 HB2 SER 21 -0.121 13.071 9.142 126 HB3 SER 21 HB3 SER 21 -0.001 11.533 10.002 127 HG SER 21 HG SER 21 2.026 12.188 10.053 128 H GLY 22 H GLY 22 -2.160 11.762 6.403 129 HA2 GLY 22 HA2 GLY 22 -2.476 13.705 4.970 130 HA3 GLY 22 HA3 GLY 22 -0.742 13.690 4.676 131 H THR 23 H THR 23 -1.328 10.560 4.617 132 HA THR 23 HA THR 23 -2.131 10.592 1.798 133 HB THR 23 HB THR 23 -0.775 8.547 1.472 134 HG1 THR 23 HG1 THR 23 -0.314 8.905 4.219 135 HG21 THR 23 HG21 THR 23 0.193 10.704 0.926 136 HG22 THR 23 HG22 THR 23 1.432 9.620 1.559 137 HG23 THR 23 HG23 THR 23 0.755 10.888 2.586 138 H THR 24 H THR 24 -3.542 8.921 1.118 139 HA THR 24 HA THR 24 -4.742 7.408 3.318 140 HB THR 24 HB THR 24 -6.936 7.643 2.076 141 HG1 THR 24 HG1 THR 24 -5.288 9.182 0.444 142 HG21 THR 24 HG21 THR 24 -7.403 9.903 2.953 143 HG22 THR 24 HG22 THR 24 -5.674 10.174 3.152 144 HG23 THR 24 HG23 THR 24 -6.487 8.930 4.103 145 H CYS 25 H CYS 25 -5.614 5.359 2.761 146 HA CYS 25 HA CYS 25 -4.051 4.043 0.771 147 HB2 CYS 25 HB2 CYS 25 -4.533 2.959 2.915 148 HB3 CYS 25 HB3 CYS 25 -6.254 2.969 2.545 149 H GLN 26 H GLN 26 -4.544 4.172 -1.280 150 HA GLN 26 HA GLN 26 -7.334 4.234 -2.083 151 HB2 GLN 26 HB2 GLN 26 -4.816 4.768 -3.670 152 HB3 GLN 26 HB3 GLN 26 -6.460 4.893 -4.287 153 HG2 GLN 26 HG2 GLN 26 -5.256 6.562 -2.095 154 HG3 GLN 26 HG3 GLN 26 -5.547 7.075 -3.756 155 HE21 GLN 26 HE21 GLN 26 -6.562 8.102 -1.231 156 HE22 GLN 26 HE22 GLN 26 -8.281 8.060 -1.391 157 H VAL 27 H VAL 27 -8.117 2.263 -2.362 158 HA VAL 27 HA VAL 27 -6.389 0.105 -3.159 159 HB VAL 27 HB VAL 27 -9.406 0.104 -2.787 160 HG11 VAL 27 HG11 VAL 27 -9.168 -2.339 -2.650 161 HG12 VAL 27 HG12 VAL 27 -7.443 -2.182 -2.981 162 HG13 VAL 27 HG13 VAL 27 -8.616 -1.723 -4.212 163 HG21 VAL 27 HG21 VAL 27 -8.930 -0.982 -0.631 164 HG22 VAL 27 HG22 VAL 27 -8.277 0.655 -0.704 165 HG23 VAL 27 HG23 VAL 27 -7.205 -0.733 -0.897 166 H LEU 28 H LEU 28 -5.744 0.199 -5.123 167 HA LEU 28 HA LEU 28 -7.334 1.382 -7.231 168 HB2 LEU 28 HB2 LEU 28 -4.577 0.151 -7.267 169 HB3 LEU 28 HB3 LEU 28 -5.315 1.015 -8.598 170 HG LEU 28 HG LEU 28 -4.668 2.266 -5.918 171 HD11 LEU 28 HD11 LEU 28 -3.195 2.420 -8.537 172 HD12 LEU 28 HD12 LEU 28 -2.642 1.600 -7.079 173 HD13 LEU 28 HD13 LEU 28 -2.828 3.354 -7.086 174 HD21 LEU 28 HD21 LEU 28 -5.005 4.349 -7.105 175 HD22 LEU 28 HD22 LEU 28 -6.480 3.365 -7.128 176 HD23 LEU 28 HD23 LEU 28 -5.430 3.449 -8.559 177 H ASN 29 H ASN 29 -5.907 -1.701 -6.396 178 HA ASN 29 HA ASN 29 -7.719 -3.065 -8.228 179 HB2 ASN 29 HB2 ASN 29 -4.730 -3.586 -7.906 180 HB3 ASN 29 HB3 ASN 29 -5.856 -4.635 -8.752 181 HD21 ASN 29 HD21 ASN 29 -4.103 -1.642 -8.872 182 HD22 ASN 29 HD22 ASN 29 -4.387 -1.316 -10.533 183 HA PRO 30 HA PRO 30 -8.498 -5.717 -4.743 184 HB2 PRO 30 HB2 PRO 30 -7.320 -8.032 -6.217 185 HB3 PRO 30 HB3 PRO 30 -8.880 -7.903 -5.394 186 HG2 PRO 30 HG2 PRO 30 -8.782 -7.794 -8.029 187 HG3 PRO 30 HG3 PRO 30 -9.837 -6.682 -7.132 188 HD2 PRO 30 HD2 PRO 30 -7.191 -6.173 -8.409 189 HD3 PRO 30 HD3 PRO 30 -8.631 -5.134 -8.368 190 H TYR 31 H TYR 31 -5.351 -6.512 -6.266 191 HA TYR 31 HA TYR 31 -4.345 -7.113 -3.585 192 HB2 TYR 31 HB2 TYR 31 -2.985 -7.534 -6.263 193 HB3 TYR 31 HB3 TYR 31 -2.425 -8.103 -4.706 194 HD1 TYR 31 HD1 TYR 31 -5.166 -8.512 -7.198 195 HD2 TYR 31 HD2 TYR 31 -3.137 -10.201 -3.866 196 HE1 TYR 31 HE1 TYR 31 -6.362 -10.608 -7.545 197 HE2 TYR 31 HE2 TYR 31 -4.343 -12.311 -4.212 198 HH TYR 31 HH TYR 31 -6.415 -13.089 -5.247 199 H TYR 32 H TYR 32 -4.076 -4.783 -6.183 200 HA TYR 32 HA TYR 32 -1.853 -3.589 -4.756 201 HB2 TYR 32 HB2 TYR 32 -1.588 -3.861 -7.186 202 HB3 TYR 32 HB3 TYR 32 -2.907 -2.715 -7.437 203 HD1 TYR 32 HD1 TYR 32 -2.276 -0.527 -7.902 204 HD2 TYR 32 HD2 TYR 32 0.248 -2.939 -5.455 205 HE1 TYR 32 HE1 TYR 32 -0.672 1.301 -7.755 206 HE2 TYR 32 HE2 TYR 32 1.865 -1.099 -5.295 207 HH TYR 32 HH TYR 32 1.138 2.072 -6.442 208 H SER 33 H SER 33 -2.198 -2.206 -3.267 209 HA SER 33 HA SER 33 -4.269 -0.165 -3.618 210 HB2 SER 33 HB2 SER 33 -3.320 -1.443 -1.025 211 HB3 SER 33 HB3 SER 33 -4.613 -0.257 -1.193 212 HG SER 33 HG SER 33 -5.229 -2.539 -0.998 213 H GLN 34 H GLN 34 -3.443 1.963 -3.096 214 HA GLN 34 HA GLN 34 -0.629 2.038 -2.275 215 HB2 GLN 34 HB2 GLN 34 -0.492 2.163 -4.657 216 HB3 GLN 34 HB3 GLN 34 -1.794 3.338 -4.740 217 HG2 GLN 34 HG2 GLN 34 -0.390 5.010 -3.709 218 HG3 GLN 34 HG3 GLN 34 0.898 3.828 -3.494 219 HE21 GLN 34 HE21 GLN 34 2.192 3.316 -5.223 220 HE22 GLN 34 HE22 GLN 34 2.111 4.167 -6.723 221 H CYS 35 H CYS 35 -0.085 3.686 -0.958 222 HA CYS 35 HA CYS 35 -2.186 5.319 0.115 223 HB2 CYS 35 HB2 CYS 35 0.785 5.506 0.660 224 HB3 CYS 35 HB3 CYS 35 -0.505 6.286 1.549 225 H LEU 36 H LEU 36 -2.906 7.014 -0.838 226 HA LEU 36 HA LEU 36 -1.063 8.916 -2.045 227 HB2 LEU 36 HB2 LEU 36 -3.824 8.129 -3.008 228 HB3 LEU 36 HB3 LEU 36 -2.907 9.484 -3.630 229 HG LEU 36 HG LEU 36 -2.045 6.596 -3.848 230 HD11 LEU 36 HD11 LEU 36 -2.595 6.818 -6.217 231 HD12 LEU 36 HD12 LEU 36 -3.263 8.425 -5.916 232 HD13 LEU 36 HD13 LEU 36 -4.017 7.000 -5.194 233 HD21 LEU 36 HD21 LEU 36 -0.928 9.116 -5.086 234 HD22 LEU 36 HD22 LEU 36 -0.392 7.469 -5.426 235 HD23 LEU 36 HD23 LEU 36 -0.165 8.152 -3.820 236 H2 BGC 101 H2 BGC 101 8.292 2.832 0.540 237 H3 BGC 101 H3 BGC 101 5.741 1.277 0.881 238 H4 BGC 101 H4 BGC 101 8.617 0.834 1.770 239 H5 BGC 101 H5 BGC 101 6.025 1.387 3.348 240 H6C1 BGC 101 H61 BGC 101 8.958 1.134 4.121 241 H6C2 BGC 101 H62 BGC 101 7.620 0.095 4.671 242 H1 BGC 101 H1 BGC 101 5.609 3.325 1.844 243 HB BGC 101 HO2 BGC 101 6.881 4.169 -0.677 244 HC BGC 101 HO3 BGC 101 6.805 1.093 -1.184 245 HD BGC 101 HO4 BGC 101 7.489 -1.051 1.211 246 H6 BGC 101 HO6 BGC 101 7.555 2.902 5.116 Start of MODEL 5 1 H1 THR 1 H1 THR 1 5.044 2.273 9.306 2 H2 THR 1 H2 THR 1 3.629 1.321 9.258 3 H3 THR 1 H3 THR 1 3.830 2.566 10.411 4 HA THR 1 HA THR 1 2.350 3.203 8.637 5 HB THR 1 HB THR 1 4.823 4.917 8.742 6 HG1 THR 1 HG1 THR 1 3.547 5.443 10.912 7 HG21 THR 1 HG21 THR 1 3.129 6.671 9.085 8 HG22 THR 1 HG22 THR 1 1.858 5.444 9.077 9 HG23 THR 1 HG23 THR 1 2.800 5.750 7.620 10 H GLN 2 H GLN 2 2.080 3.484 6.454 11 HA GLN 2 HA GLN 2 4.239 2.511 4.760 12 HB2 GLN 2 HB2 GLN 2 1.971 1.455 4.648 13 HB3 GLN 2 HB3 GLN 2 1.343 2.984 4.047 14 HG2 GLN 2 HG2 GLN 2 1.740 1.421 2.223 15 HG3 GLN 2 HG3 GLN 2 2.788 2.833 2.108 16 HE21 GLN 2 HE21 GLN 2 2.654 -0.534 2.859 17 HE22 GLN 2 HE22 GLN 2 4.339 -0.850 2.754 18 H SER 3 H SER 3 5.316 3.862 3.452 19 HA SER 3 HA SER 3 4.871 6.617 3.473 20 HB2 SER 3 HB2 SER 3 6.720 6.763 1.898 21 HB3 SER 3 HB3 SER 3 7.124 5.708 3.237 22 H HIS 4 H HIS 4 4.838 7.923 1.458 23 HA HIS 4 HA HIS 4 2.399 7.569 0.102 24 HB2 HIS 4 HB2 HIS 4 3.772 9.717 0.592 25 HB3 HIS 4 HB3 HIS 4 4.680 9.309 -0.851 26 HD1 HIS 4 HD1 HIS 4 3.602 11.819 -1.393 27 HD2 HIS 4 HD2 HIS 4 1.033 8.572 -1.485 28 HE1 HIS 4 HE1 HIS 4 1.587 12.601 -2.664 29 HE2 HIS 4 HE2 HIS 4 -0.061 10.773 -2.121 30 H TYR 5 H TYR 5 1.943 6.542 -1.771 31 HA TYR 5 HA TYR 5 2.062 5.455 -3.655 32 HB2 TYR 5 HB2 TYR 5 4.973 6.256 -3.855 33 HB3 TYR 5 HB3 TYR 5 4.067 5.433 -5.116 34 HD1 TYR 5 HD1 TYR 5 4.984 8.606 -3.835 35 HD2 TYR 5 HD2 TYR 5 1.897 6.549 -5.886 36 HE1 TYR 5 HE1 TYR 5 4.106 10.746 -4.640 37 HE2 TYR 5 HE2 TYR 5 1.005 8.690 -6.705 38 HH TYR 5 HH TYR 5 1.058 11.074 -5.921 39 H GLY 6 H GLY 6 3.197 4.457 -0.934 40 HA2 GLY 6 HA2 GLY 6 4.272 1.966 -1.927 41 HA3 GLY 6 HA3 GLY 6 4.102 2.422 -0.231 42 H GLN 7 H GLN 7 3.256 -0.030 -1.544 43 HA GLN 7 HA GLN 7 0.420 -0.027 -1.725 44 HB2 GLN 7 HB2 GLN 7 1.727 -1.857 -2.710 45 HB3 GLN 7 HB3 GLN 7 2.281 -2.329 -1.112 46 HG2 GLN 7 HG2 GLN 7 -0.189 -2.748 -0.507 47 HG3 GLN 7 HG3 GLN 7 -0.515 -2.472 -2.190 48 HE21 GLN 7 HE21 GLN 7 -1.336 -4.684 -2.323 49 HE22 GLN 7 HE22 GLN 7 -0.207 -5.952 -2.530 50 H CYS 8 H CYS 8 -0.794 0.473 -0.122 51 HA CYS 8 HA CYS 8 0.030 0.334 2.595 52 HB2 CYS 8 HB2 CYS 8 -2.411 0.988 2.960 53 HB3 CYS 8 HB3 CYS 8 -1.376 2.111 2.086 54 H GLY 9 H GLY 9 -2.412 -1.441 0.726 55 HA2 GLY 9 HA2 GLY 9 -2.242 -3.589 2.616 56 HA3 GLY 9 HA3 GLY 9 -3.711 -2.643 2.772 57 H GLY 10 H GLY 10 -1.954 -4.842 0.926 58 HA2 GLY 10 HA2 GLY 10 -4.102 -5.035 -1.048 59 HA3 GLY 10 HA3 GLY 10 -2.528 -5.792 -1.163 60 H ILE 11 H ILE 11 -5.113 -7.014 -1.393 61 HA ILE 11 HA ILE 11 -5.607 -8.580 0.904 62 HB ILE 11 HB ILE 11 -6.129 -9.221 -2.016 63 HG12 ILE 11 HG12 ILE 11 -7.994 -8.141 0.106 64 HG13 ILE 11 HG13 ILE 11 -7.269 -7.179 -1.176 65 HG21 ILE 11 HG21 ILE 11 -6.070 -11.215 -0.651 66 HG22 ILE 11 HG22 ILE 11 -7.713 -10.868 -1.219 67 HG23 ILE 11 HG23 ILE 11 -7.263 -10.524 0.459 68 HD11 ILE 11 HD11 ILE 11 -9.203 -9.459 -1.531 69 HD12 ILE 11 HD12 ILE 11 -8.475 -8.526 -2.833 70 HD13 ILE 11 HD13 ILE 11 -9.568 -7.744 -1.696 71 H GLY 12 H GLY 12 -4.108 -9.839 1.816 72 HA2 GLY 12 HA2 GLY 12 -2.769 -11.803 1.781 73 HA3 GLY 12 HA3 GLY 12 -2.481 -11.502 0.072 74 H TYR 13 H TYR 13 -2.260 -8.600 1.540 75 HA TYR 13 HA TYR 13 0.655 -8.784 1.816 76 HB2 TYR 13 HB2 TYR 13 -0.141 -7.182 0.062 77 HB3 TYR 13 HB3 TYR 13 -1.159 -6.419 1.259 78 HD1 TYR 13 HD1 TYR 13 2.397 -7.027 0.373 79 HD2 TYR 13 HD2 TYR 13 -0.360 -4.653 2.572 80 HE1 TYR 13 HE1 TYR 13 4.196 -5.427 0.902 81 HE2 TYR 13 HE2 TYR 13 1.430 -3.055 3.106 82 HH TYR 13 HH TYR 13 4.365 -3.068 1.507 83 H SER 14 H SER 14 1.458 -8.533 3.854 84 HA SER 14 HA SER 14 -0.365 -7.439 5.867 85 HB2 SER 14 HB2 SER 14 0.824 -9.022 7.466 86 HB3 SER 14 HB3 SER 14 -0.256 -9.770 6.284 87 HG SER 14 HG SER 14 1.340 -10.744 5.447 88 H GLY 15 H GLY 15 1.833 -6.227 4.245 89 HA2 GLY 15 HA2 GLY 15 3.890 -5.502 6.115 90 HA3 GLY 15 HA3 GLY 15 3.579 -4.746 4.560 91 HA PRO 16 HA PRO 16 2.251 -1.748 7.913 92 HB2 PRO 16 HB2 PRO 16 3.242 0.454 6.560 93 HB3 PRO 16 HB3 PRO 16 4.115 -0.419 7.818 94 HG2 PRO 16 HG2 PRO 16 4.382 -0.575 4.861 95 HG3 PRO 16 HG3 PRO 16 5.631 -0.719 6.107 96 HD2 PRO 16 HD2 PRO 16 4.606 -2.847 4.763 97 HD3 PRO 16 HD3 PRO 16 5.217 -2.956 6.424 98 H THR 17 H THR 17 0.100 -1.644 7.604 99 HA THR 17 HA THR 17 -0.959 -1.047 4.991 100 HB THR 17 HB THR 17 -3.152 -1.508 6.102 101 HG1 THR 17 HG1 THR 17 -3.077 -1.385 8.138 102 HG21 THR 17 HG21 THR 17 -1.022 -3.640 6.329 103 HG22 THR 17 HG22 THR 17 -1.970 -3.262 4.889 104 HG23 THR 17 HG23 THR 17 -2.764 -3.931 6.314 105 H VAL 18 H VAL 18 -0.559 0.557 8.016 106 HA VAL 18 HA VAL 18 -2.543 2.556 7.434 107 HB VAL 18 HB VAL 18 -0.479 2.421 9.640 108 HG11 VAL 18 HG11 VAL 18 -1.069 4.715 9.286 109 HG12 VAL 18 HG12 VAL 18 -1.864 4.151 10.759 110 HG13 VAL 18 HG13 VAL 18 -2.790 4.325 9.268 111 HG21 VAL 18 HG21 VAL 18 -2.124 0.633 9.799 112 HG22 VAL 18 HG22 VAL 18 -3.430 1.810 9.682 113 HG23 VAL 18 HG23 VAL 18 -2.365 1.813 11.086 114 H CYS 19 H CYS 19 -2.157 4.083 6.037 115 HA CYS 19 HA CYS 19 0.444 4.701 5.065 116 HB2 CYS 19 HB2 CYS 19 -2.151 6.187 4.649 117 HB3 CYS 19 HB3 CYS 19 -0.678 6.329 3.688 118 H ALA 20 H ALA 20 1.503 6.693 5.156 119 HA ALA 20 HA ALA 20 1.735 7.902 7.650 120 HB1 ALA 20 HB1 ALA 20 3.074 9.590 6.502 121 HB2 ALA 20 HB2 ALA 20 2.469 9.026 4.943 122 HB3 ALA 20 HB3 ALA 20 3.482 7.971 5.933 123 H SER 21 H SER 21 0.928 9.809 8.509 124 HA SER 21 HA SER 21 -1.703 10.460 7.998 125 HB2 SER 21 HB2 SER 21 0.402 12.182 9.316 126 HB3 SER 21 HB3 SER 21 -1.346 12.241 9.593 127 HG SER 21 HG SER 21 -1.283 10.334 10.597 128 H GLY 22 H GLY 22 -2.481 11.356 6.220 129 HA2 GLY 22 HA2 GLY 22 -2.658 13.526 5.019 130 HA3 GLY 22 HA3 GLY 22 -0.907 13.457 4.880 131 H THR 23 H THR 23 -1.372 10.407 4.561 132 HA THR 23 HA THR 23 -2.134 10.571 1.744 133 HB THR 23 HB THR 23 -0.653 8.639 1.306 134 HG1 THR 23 HG1 THR 23 -0.241 8.827 4.086 135 HG21 THR 23 HG21 THR 23 1.504 9.806 1.517 136 HG22 THR 23 HG22 THR 23 0.758 10.947 2.637 137 HG23 THR 23 HG23 THR 23 0.224 10.886 0.959 138 H THR 24 H THR 24 -3.431 8.915 0.951 139 HA THR 24 HA THR 24 -4.840 7.470 3.085 140 HB THR 24 HB THR 24 -6.830 7.662 1.542 141 HG1 THR 24 HG1 THR 24 -4.922 9.121 0.070 142 HG21 THR 24 HG21 THR 24 -7.345 9.980 2.213 143 HG22 THR 24 HG22 THR 24 -5.644 10.236 2.608 144 HG23 THR 24 HG23 THR 24 -6.601 9.078 3.533 145 H CYS 25 H CYS 25 -5.314 5.341 2.751 146 HA CYS 25 HA CYS 25 -3.865 3.945 0.726 147 HB2 CYS 25 HB2 CYS 25 -4.179 2.949 2.948 148 HB3 CYS 25 HB3 CYS 25 -5.929 2.945 2.722 149 H GLN 26 H GLN 26 -4.544 4.138 -1.307 150 HA GLN 26 HA GLN 26 -7.406 4.038 -1.851 151 HB2 GLN 26 HB2 GLN 26 -5.093 4.897 -3.578 152 HB3 GLN 26 HB3 GLN 26 -6.787 4.940 -4.053 153 HG2 GLN 26 HG2 GLN 26 -5.560 6.507 -1.792 154 HG3 GLN 26 HG3 GLN 26 -5.941 7.150 -3.383 155 HE21 GLN 26 HE21 GLN 26 -6.878 7.876 -0.756 156 HE22 GLN 26 HE22 GLN 26 -8.597 7.797 -0.791 157 H VAL 27 H VAL 27 -8.091 2.092 -2.338 158 HA VAL 27 HA VAL 27 -6.409 0.005 -3.291 159 HB VAL 27 HB VAL 27 -9.441 0.173 -3.297 160 HG11 VAL 27 HG11 VAL 27 -8.574 -1.572 -4.767 161 HG12 VAL 27 HG12 VAL 27 -9.383 -2.277 -3.371 162 HG13 VAL 27 HG13 VAL 27 -7.617 -2.221 -3.439 163 HG21 VAL 27 HG21 VAL 27 -7.589 -0.983 -1.218 164 HG22 VAL 27 HG22 VAL 27 -9.351 -1.103 -1.200 165 HG23 VAL 27 HG23 VAL 27 -8.575 0.473 -1.040 166 H LEU 28 H LEU 28 -5.547 0.218 -5.242 167 HA LEU 28 HA LEU 28 -6.922 1.711 -7.337 168 HB2 LEU 28 HB2 LEU 28 -4.223 0.373 -7.424 169 HB3 LEU 28 HB3 LEU 28 -4.849 1.532 -8.570 170 HG LEU 28 HG LEU 28 -4.013 2.065 -5.725 171 HD11 LEU 28 HD11 LEU 28 -2.929 3.002 -8.364 172 HD12 LEU 28 HD12 LEU 28 -2.209 1.778 -7.330 173 HD13 LEU 28 HD13 LEU 28 -2.312 3.453 -6.776 174 HD21 LEU 28 HD21 LEU 28 -4.501 4.382 -6.175 175 HD22 LEU 28 HD22 LEU 28 -5.966 3.397 -6.312 176 HD23 LEU 28 HD23 LEU 28 -5.123 3.953 -7.771 177 H ASN 29 H ASN 29 -5.659 -1.478 -6.672 178 HA ASN 29 HA ASN 29 -7.139 -2.569 -8.956 179 HB2 ASN 29 HB2 ASN 29 -4.493 -3.592 -7.809 180 HB3 ASN 29 HB3 ASN 29 -5.413 -4.354 -9.080 181 HD21 ASN 29 HD21 ASN 29 -4.773 -0.905 -8.964 182 HD22 ASN 29 HD22 ASN 29 -3.683 -0.879 -10.307 183 HA PRO 30 HA PRO 30 -9.102 -5.175 -5.892 184 HB2 PRO 30 HB2 PRO 30 -8.029 -7.608 -7.244 185 HB3 PRO 30 HB3 PRO 30 -9.695 -7.222 -6.793 186 HG2 PRO 30 HG2 PRO 30 -8.974 -7.027 -9.318 187 HG3 PRO 30 HG3 PRO 30 -9.983 -5.762 -8.593 188 HD2 PRO 30 HD2 PRO 30 -7.042 -5.731 -9.169 189 HD3 PRO 30 HD3 PRO 30 -8.242 -4.444 -9.411 190 H TYR 31 H TYR 31 -5.765 -6.033 -6.618 191 HA TYR 31 HA TYR 31 -5.431 -6.852 -3.788 192 HB2 TYR 31 HB2 TYR 31 -3.820 -7.717 -6.196 193 HB3 TYR 31 HB3 TYR 31 -3.467 -8.156 -4.528 194 HD1 TYR 31 HD1 TYR 31 -4.788 -9.802 -3.378 195 HD2 TYR 31 HD2 TYR 31 -5.762 -8.666 -7.344 196 HE1 TYR 31 HE1 TYR 31 -6.313 -11.720 -3.542 197 HE2 TYR 31 HE2 TYR 31 -7.289 -10.579 -7.531 198 HH TYR 31 HH TYR 31 -7.628 -12.775 -6.487 199 H TYR 32 H TYR 32 -4.351 -4.670 -6.244 200 HA TYR 32 HA TYR 32 -2.193 -3.810 -4.497 201 HB2 TYR 32 HB2 TYR 32 -1.626 -4.016 -6.900 202 HB3 TYR 32 HB3 TYR 32 -2.790 -2.740 -7.268 203 HD1 TYR 32 HD1 TYR 32 -2.126 -0.457 -7.168 204 HD2 TYR 32 HD2 TYR 32 0.253 -3.441 -5.284 205 HE1 TYR 32 HE1 TYR 32 -0.414 1.231 -6.650 206 HE2 TYR 32 HE2 TYR 32 1.961 -1.772 -4.773 207 HH TYR 32 HH TYR 32 2.708 0.376 -5.540 208 H SER 33 H SER 33 -2.481 -2.296 -3.065 209 HA SER 33 HA SER 33 -4.332 -0.109 -3.656 210 HB2 SER 33 HB2 SER 33 -3.782 -1.357 -0.944 211 HB3 SER 33 HB3 SER 33 -4.956 -0.083 -1.303 212 HG SER 33 HG SER 33 -5.439 -2.135 -2.929 213 H GLN 34 H GLN 34 -3.456 1.950 -3.129 214 HA GLN 34 HA GLN 34 -0.649 1.944 -2.242 215 HB2 GLN 34 HB2 GLN 34 -0.541 2.018 -4.615 216 HB3 GLN 34 HB3 GLN 34 -1.843 3.185 -4.713 217 HG2 GLN 34 HG2 GLN 34 -0.441 4.905 -3.852 218 HG3 GLN 34 HG3 GLN 34 0.863 3.744 -3.537 219 HE21 GLN 34 HE21 GLN 34 2.106 3.062 -5.264 220 HE22 GLN 34 HE22 GLN 34 2.018 3.765 -6.826 221 H CYS 35 H CYS 35 -0.059 3.650 -0.965 222 HA CYS 35 HA CYS 35 -2.153 5.323 0.069 223 HB2 CYS 35 HB2 CYS 35 0.817 5.584 0.599 224 HB3 CYS 35 HB3 CYS 35 -0.531 6.278 1.492 225 H LEU 36 H LEU 36 -2.836 7.017 -0.911 226 HA LEU 36 HA LEU 36 -1.010 8.619 -2.523 227 HB2 LEU 36 HB2 LEU 36 -3.950 8.055 -2.903 228 HB3 LEU 36 HB3 LEU 36 -3.039 9.231 -3.838 229 HG LEU 36 HG LEU 36 -2.358 6.291 -3.762 230 HD11 LEU 36 HD11 LEU 36 -3.323 6.153 -5.963 231 HD12 LEU 36 HD12 LEU 36 -3.898 7.822 -5.843 232 HD13 LEU 36 HD13 LEU 36 -4.546 6.579 -4.772 233 HD21 LEU 36 HD21 LEU 36 -1.476 8.538 -5.555 234 HD22 LEU 36 HD22 LEU 36 -1.042 6.842 -5.740 235 HD23 LEU 36 HD23 LEU 36 -0.500 7.740 -4.324 236 H2 BGC 101 H2 BGC 101 8.542 2.781 0.721 237 H3 BGC 101 H3 BGC 101 6.291 0.890 1.429 238 H4 BGC 101 H4 BGC 101 9.122 1.232 2.533 239 H5 BGC 101 H5 BGC 101 6.341 1.700 3.757 240 H6C1 BGC 101 H61 BGC 101 9.161 2.188 4.800 241 H6C2 BGC 101 H62 BGC 101 7.981 1.049 5.492 242 H1 BGC 101 H1 BGC 101 5.758 3.156 1.925 243 HB BGC 101 HO2 BGC 101 7.319 1.957 -1.020 244 HC BGC 101 HO3 BGC 101 7.737 -0.695 0.681 245 HD BGC 101 HO4 BGC 101 8.382 -0.952 2.498 246 H6 BGC 101 HO6 BGC 101 6.691 2.808 6.134 Start of MODEL 6 1 H1 THR 1 H1 THR 1 5.001 1.849 8.956 2 H2 THR 1 H2 THR 1 4.801 2.866 10.330 3 H3 THR 1 H3 THR 1 5.861 3.292 9.067 4 HA THR 1 HA THR 1 2.976 3.049 8.791 5 HB THR 1 HB THR 1 4.731 5.517 8.938 6 HG1 THR 1 HG1 THR 1 3.946 5.756 11.009 7 HG21 THR 1 HG21 THR 1 2.646 5.761 7.647 8 HG22 THR 1 HG22 THR 1 2.594 6.690 9.146 9 HG23 THR 1 HG23 THR 1 1.727 5.161 9.027 10 H GLN 2 H GLN 2 2.378 3.037 6.655 11 HA GLN 2 HA GLN 2 4.408 2.688 4.686 12 HB2 GLN 2 HB2 GLN 2 2.272 1.423 4.677 13 HB3 GLN 2 HB3 GLN 2 1.404 2.922 4.407 14 HG2 GLN 2 HG2 GLN 2 1.619 1.646 2.354 15 HG3 GLN 2 HG3 GLN 2 2.472 3.181 2.247 16 HE21 GLN 2 HE21 GLN 2 2.794 -0.257 2.415 17 HE22 GLN 2 HE22 GLN 2 4.442 -0.319 1.934 18 H SER 3 H SER 3 5.239 4.167 3.400 19 HA SER 3 HA SER 3 4.518 6.885 3.792 20 HB2 SER 3 HB2 SER 3 6.490 7.409 2.599 21 HB3 SER 3 HB3 SER 3 6.875 6.058 3.645 22 H HIS 4 H HIS 4 4.822 8.208 1.529 23 HA HIS 4 HA HIS 4 2.324 7.758 0.211 24 HB2 HIS 4 HB2 HIS 4 3.434 10.031 0.702 25 HB3 HIS 4 HB3 HIS 4 4.521 9.669 -0.626 26 HD1 HIS 4 HD1 HIS 4 3.546 11.891 -1.759 27 HD2 HIS 4 HD2 HIS 4 0.809 8.808 -1.290 28 HE1 HIS 4 HE1 HIS 4 1.589 12.521 -3.153 29 HE2 HIS 4 HE2 HIS 4 -0.145 10.913 -2.492 30 H TYR 5 H TYR 5 1.959 6.722 -1.660 31 HA TYR 5 HA TYR 5 2.198 5.653 -3.557 32 HB2 TYR 5 HB2 TYR 5 5.087 6.552 -3.576 33 HB3 TYR 5 HB3 TYR 5 4.364 5.585 -4.850 34 HD1 TYR 5 HD1 TYR 5 4.846 8.904 -3.549 35 HD2 TYR 5 HD2 TYR 5 2.449 6.567 -6.164 36 HE1 TYR 5 HE1 TYR 5 4.101 10.951 -4.685 37 HE2 TYR 5 HE2 TYR 5 1.692 8.609 -7.305 38 HH TYR 5 HH TYR 5 1.483 10.957 -6.880 39 H GLY 6 H GLY 6 3.246 4.658 -0.749 40 HA2 GLY 6 HA2 GLY 6 4.472 2.193 -1.649 41 HA3 GLY 6 HA3 GLY 6 4.102 2.642 0.015 42 H GLN 7 H GLN 7 3.524 0.113 -1.277 43 HA GLN 7 HA GLN 7 0.707 0.052 -1.789 44 HB2 GLN 7 HB2 GLN 7 2.344 -1.560 -2.797 45 HB3 GLN 7 HB3 GLN 7 2.545 -2.271 -1.201 46 HG2 GLN 7 HG2 GLN 7 0.121 -2.809 -1.182 47 HG3 GLN 7 HG3 GLN 7 0.008 -2.164 -2.808 48 HE21 GLN 7 HE21 GLN 7 -0.563 -4.875 -1.996 49 HE22 GLN 7 HE22 GLN 7 0.514 -5.868 -2.906 50 H CYS 8 H CYS 8 -0.587 0.475 -0.168 51 HA CYS 8 HA CYS 8 0.065 0.081 2.558 52 HB2 CYS 8 HB2 CYS 8 -2.430 0.636 2.836 53 HB3 CYS 8 HB3 CYS 8 -1.360 1.862 2.155 54 H GLY 9 H GLY 9 -2.009 -1.727 0.330 55 HA2 GLY 9 HA2 GLY 9 -1.624 -4.161 1.380 56 HA3 GLY 9 HA3 GLY 9 -2.765 -3.459 2.512 57 H GLY 10 H GLY 10 -2.326 -5.034 -0.390 58 HA2 GLY 10 HA2 GLY 10 -5.153 -4.754 -1.126 59 HA3 GLY 10 HA3 GLY 10 -3.886 -5.493 -2.109 60 H ILE 11 H ILE 11 -5.730 -7.180 -2.056 61 HA ILE 11 HA ILE 11 -6.125 -8.808 0.168 62 HB ILE 11 HB ILE 11 -6.083 -9.600 -2.766 63 HG12 ILE 11 HG12 ILE 11 -8.407 -8.951 -0.930 64 HG13 ILE 11 HG13 ILE 11 -7.751 -7.867 -2.150 65 HG21 ILE 11 HG21 ILE 11 -7.186 -11.135 -0.406 66 HG22 ILE 11 HG22 ILE 11 -5.792 -11.586 -1.390 67 HG23 ILE 11 HG23 ILE 11 -7.405 -11.568 -2.103 68 HD11 ILE 11 HD11 ILE 11 -9.792 -8.945 -2.912 69 HD12 ILE 11 HD12 ILE 11 -9.061 -10.533 -2.667 70 HD13 ILE 11 HD13 ILE 11 -8.419 -9.446 -3.897 71 H GLY 12 H GLY 12 -4.646 -9.761 1.360 72 HA2 GLY 12 HA2 GLY 12 -3.170 -11.623 1.628 73 HA3 GLY 12 HA3 GLY 12 -2.517 -11.285 0.032 74 H TYR 13 H TYR 13 -2.372 -8.406 0.596 75 HA TYR 13 HA TYR 13 0.305 -8.476 1.642 76 HB2 TYR 13 HB2 TYR 13 -0.368 -6.975 -0.250 77 HB3 TYR 13 HB3 TYR 13 -1.338 -6.050 0.880 78 HD1 TYR 13 HD1 TYR 13 1.953 -6.600 -0.473 79 HD2 TYR 13 HD2 TYR 13 -0.140 -4.781 2.752 80 HE1 TYR 13 HE1 TYR 13 3.923 -5.234 0.028 81 HE2 TYR 13 HE2 TYR 13 1.804 -3.410 3.269 82 HH TYR 13 HH TYR 13 4.421 -3.093 1.128 83 H SER 14 H SER 14 0.673 -8.554 3.714 84 HA SER 14 HA SER 14 -1.168 -7.193 5.563 85 HB2 SER 14 HB2 SER 14 0.449 -9.636 5.980 86 HB3 SER 14 HB3 SER 14 -0.754 -9.003 7.110 87 HG SER 14 HG SER 14 -1.201 -10.016 4.484 88 H GLY 15 H GLY 15 1.228 -6.044 4.355 89 HA2 GLY 15 HA2 GLY 15 3.227 -6.052 6.490 90 HA3 GLY 15 HA3 GLY 15 3.413 -5.319 4.906 91 HA PRO 16 HA PRO 16 2.646 -1.621 7.524 92 HB2 PRO 16 HB2 PRO 16 3.575 0.149 5.617 93 HB3 PRO 16 HB3 PRO 16 4.587 -0.602 6.848 94 HG2 PRO 16 HG2 PRO 16 4.258 -1.310 3.980 95 HG3 PRO 16 HG3 PRO 16 5.702 -1.385 4.995 96 HD2 PRO 16 HD2 PRO 16 4.244 -3.566 4.308 97 HD3 PRO 16 HD3 PRO 16 5.169 -3.465 5.818 98 H THR 17 H THR 17 0.488 -1.663 7.471 99 HA THR 17 HA THR 17 -0.945 -1.251 5.024 100 HB THR 17 HB THR 17 -2.899 -1.713 6.595 101 HG1 THR 17 HG1 THR 17 -2.323 -1.677 8.606 102 HG21 THR 17 HG21 THR 17 -1.954 -3.394 5.062 103 HG22 THR 17 HG22 THR 17 -2.377 -4.145 6.606 104 HG23 THR 17 HG23 THR 17 -0.694 -3.762 6.232 105 H VAL 18 H VAL 18 -0.316 0.551 7.981 106 HA VAL 18 HA VAL 18 -2.420 2.447 7.346 107 HB VAL 18 HB VAL 18 -0.390 2.562 9.600 108 HG11 VAL 18 HG11 VAL 18 -2.920 4.141 9.146 109 HG12 VAL 18 HG12 VAL 18 -1.265 4.762 9.088 110 HG13 VAL 18 HG13 VAL 18 -1.944 4.188 10.612 111 HG21 VAL 18 HG21 VAL 18 -2.225 1.815 11.042 112 HG22 VAL 18 HG22 VAL 18 -1.841 0.615 9.805 113 HG23 VAL 18 HG23 VAL 18 -3.263 1.641 9.628 114 H CYS 19 H CYS 19 -2.154 4.241 6.273 115 HA CYS 19 HA CYS 19 0.437 4.848 5.148 116 HB2 CYS 19 HB2 CYS 19 -2.227 6.198 4.711 117 HB3 CYS 19 HB3 CYS 19 -0.785 6.323 3.706 118 H ALA 20 H ALA 20 1.466 6.821 5.374 119 HA ALA 20 HA ALA 20 1.433 8.079 7.878 120 HB1 ALA 20 HB1 ALA 20 2.951 9.707 6.894 121 HB2 ALA 20 HB2 ALA 20 2.513 9.159 5.278 122 HB3 ALA 20 HB3 ALA 20 3.370 8.075 6.373 123 H SER 21 H SER 21 0.829 10.213 8.492 124 HA SER 21 HA SER 21 -1.722 11.025 7.835 125 HB2 SER 21 HB2 SER 21 0.521 12.707 8.959 126 HB3 SER 21 HB3 SER 21 -1.214 12.974 9.169 127 HG SER 21 HG SER 21 -0.348 11.962 10.963 128 H GLY 22 H GLY 22 -2.432 11.859 5.958 129 HA2 GLY 22 HA2 GLY 22 -2.338 13.820 4.497 130 HA3 GLY 22 HA3 GLY 22 -0.597 13.560 4.402 131 H THR 23 H THR 23 -1.476 10.556 4.506 132 HA THR 23 HA THR 23 -2.215 10.381 1.682 133 HB THR 23 HB THR 23 -0.769 8.394 1.442 134 HG1 THR 23 HG1 THR 23 -0.309 8.890 4.183 135 HG21 THR 23 HG21 THR 23 0.706 10.779 2.553 136 HG22 THR 23 HG22 THR 23 0.188 10.557 0.879 137 HG23 THR 23 HG23 THR 23 1.417 9.500 1.571 138 H THR 24 H THR 24 -3.539 8.612 1.130 139 HA THR 24 HA THR 24 -4.603 7.064 3.377 140 HB THR 24 HB THR 24 -6.812 7.190 2.000 141 HG1 THR 24 HG1 THR 24 -5.316 8.868 0.542 142 HG21 THR 24 HG21 THR 24 -5.840 9.524 3.652 143 HG22 THR 24 HG22 THR 24 -6.577 8.039 4.268 144 HG23 THR 24 HG23 THR 24 -7.526 9.152 3.285 145 H CYS 25 H CYS 25 -5.186 4.932 2.904 146 HA CYS 25 HA CYS 25 -3.800 3.762 0.747 147 HB2 CYS 25 HB2 CYS 25 -4.155 2.578 2.865 148 HB3 CYS 25 HB3 CYS 25 -5.893 2.566 2.585 149 H GLN 26 H GLN 26 -4.421 4.059 -1.276 150 HA GLN 26 HA GLN 26 -7.256 4.088 -1.958 151 HB2 GLN 26 HB2 GLN 26 -4.811 4.515 -3.683 152 HB3 GLN 26 HB3 GLN 26 -6.473 4.740 -4.189 153 HG2 GLN 26 HG2 GLN 26 -4.984 6.366 -2.143 154 HG3 GLN 26 HG3 GLN 26 -5.389 6.849 -3.790 155 HE21 GLN 26 HE21 GLN 26 -6.029 8.135 -1.344 156 HE22 GLN 26 HE22 GLN 26 -7.748 8.233 -1.241 157 H VAL 27 H VAL 27 -8.070 2.104 -2.278 158 HA VAL 27 HA VAL 27 -6.397 -0.063 -3.121 159 HB VAL 27 HB VAL 27 -9.438 0.071 -2.941 160 HG11 VAL 27 HG11 VAL 27 -8.683 -1.696 -4.451 161 HG12 VAL 27 HG12 VAL 27 -9.366 -2.373 -2.972 162 HG13 VAL 27 HG13 VAL 27 -7.616 -2.320 -3.196 163 HG21 VAL 27 HG21 VAL 27 -8.367 0.413 -0.772 164 HG22 VAL 27 HG22 VAL 27 -7.410 -1.048 -1.005 165 HG23 VAL 27 HG23 VAL 27 -9.163 -1.162 -0.835 166 H LEU 28 H LEU 28 -5.557 0.259 -5.028 167 HA LEU 28 HA LEU 28 -6.974 1.503 -7.200 168 HB2 LEU 28 HB2 LEU 28 -4.277 0.145 -7.134 169 HB3 LEU 28 HB3 LEU 28 -4.906 1.064 -8.484 170 HG LEU 28 HG LEU 28 -4.276 2.218 -5.757 171 HD11 LEU 28 HD11 LEU 28 -2.274 1.539 -6.917 172 HD12 LEU 28 HD12 LEU 28 -2.403 3.299 -6.907 173 HD13 LEU 28 HD13 LEU 28 -2.789 2.392 -8.370 174 HD21 LEU 28 HD21 LEU 28 -6.049 3.433 -6.909 175 HD22 LEU 28 HD22 LEU 28 -5.024 3.524 -8.352 176 HD23 LEU 28 HD23 LEU 28 -4.539 4.361 -6.876 177 H ASN 29 H ASN 29 -5.880 -1.685 -6.305 178 HA ASN 29 HA ASN 29 -7.748 -2.887 -8.167 179 HB2 ASN 29 HB2 ASN 29 -4.807 -3.690 -7.954 180 HB3 ASN 29 HB3 ASN 29 -6.056 -4.548 -8.843 181 HD21 ASN 29 HD21 ASN 29 -3.903 -1.869 -8.823 182 HD22 ASN 29 HD22 ASN 29 -4.130 -1.401 -10.467 183 HA PRO 30 HA PRO 30 -8.598 -5.488 -4.691 184 HB2 PRO 30 HB2 PRO 30 -7.724 -7.863 -6.289 185 HB3 PRO 30 HB3 PRO 30 -9.202 -7.625 -5.346 186 HG2 PRO 30 HG2 PRO 30 -9.343 -7.408 -7.960 187 HG3 PRO 30 HG3 PRO 30 -10.142 -6.195 -6.946 188 HD2 PRO 30 HD2 PRO 30 -7.536 -5.993 -8.407 189 HD3 PRO 30 HD3 PRO 30 -8.838 -4.793 -8.274 190 H TYR 31 H TYR 31 -5.519 -6.425 -6.296 191 HA TYR 31 HA TYR 31 -4.518 -7.148 -3.621 192 HB2 TYR 31 HB2 TYR 31 -3.293 -7.640 -6.344 193 HB3 TYR 31 HB3 TYR 31 -2.577 -8.102 -4.817 194 HD1 TYR 31 HD1 TYR 31 -3.030 -10.181 -3.898 195 HD2 TYR 31 HD2 TYR 31 -5.573 -8.696 -6.963 196 HE1 TYR 31 HE1 TYR 31 -4.117 -12.365 -4.045 197 HE2 TYR 31 HE2 TYR 31 -6.677 -10.885 -7.114 198 HH TYR 31 HH TYR 31 -6.107 -13.362 -4.794 199 H TYR 32 H TYR 32 -4.095 -4.815 -6.201 200 HA TYR 32 HA TYR 32 -1.824 -3.750 -4.741 201 HB2 TYR 32 HB2 TYR 32 -1.528 -4.035 -7.195 202 HB3 TYR 32 HB3 TYR 32 -2.762 -2.805 -7.450 203 HD1 TYR 32 HD1 TYR 32 -2.042 -0.594 -7.763 204 HD2 TYR 32 HD2 TYR 32 0.421 -3.270 -5.542 205 HE1 TYR 32 HE1 TYR 32 -0.341 1.154 -7.544 206 HE2 TYR 32 HE2 TYR 32 2.137 -1.516 -5.318 207 HH TYR 32 HH TYR 32 1.533 1.750 -6.193 208 H SER 33 H SER 33 -2.144 -2.312 -3.245 209 HA SER 33 HA SER 33 -4.116 -0.199 -3.734 210 HB2 SER 33 HB2 SER 33 -3.388 -1.417 -1.049 211 HB3 SER 33 HB3 SER 33 -4.613 -0.189 -1.344 212 HG SER 33 HG SER 33 -5.202 -2.533 -1.125 213 H GLN 34 H GLN 34 -3.316 1.898 -3.120 214 HA GLN 34 HA GLN 34 -0.532 1.947 -2.207 215 HB2 GLN 34 HB2 GLN 34 -0.323 2.053 -4.593 216 HB3 GLN 34 HB3 GLN 34 -1.600 3.247 -4.709 217 HG2 GLN 34 HG2 GLN 34 -0.190 4.908 -3.660 218 HG3 GLN 34 HG3 GLN 34 1.075 3.707 -3.417 219 HE21 GLN 34 HE21 GLN 34 2.449 3.220 -5.080 220 HE22 GLN 34 HE22 GLN 34 2.392 4.000 -6.610 221 H CYS 35 H CYS 35 -0.015 3.596 -0.875 222 HA CYS 35 HA CYS 35 -2.140 5.185 0.182 223 HB2 CYS 35 HB2 CYS 35 0.828 5.346 0.749 224 HB3 CYS 35 HB3 CYS 35 -0.440 6.155 1.650 225 H LEU 36 H LEU 36 -2.916 6.801 -0.838 226 HA LEU 36 HA LEU 36 -1.168 8.847 -1.940 227 HB2 LEU 36 HB2 LEU 36 -3.813 7.913 -3.083 228 HB3 LEU 36 HB3 LEU 36 -2.877 9.269 -3.658 229 HG LEU 36 HG LEU 36 -2.011 6.378 -3.809 230 HD11 LEU 36 HD11 LEU 36 -2.356 6.629 -6.218 231 HD12 LEU 36 HD12 LEU 36 -3.001 8.249 -5.958 232 HD13 LEU 36 HD13 LEU 36 -3.855 6.844 -5.320 233 HD21 LEU 36 HD21 LEU 36 -0.209 7.227 -5.229 234 HD22 LEU 36 HD22 LEU 36 -0.114 7.900 -3.603 235 HD23 LEU 36 HD23 LEU 36 -0.747 8.879 -4.930 236 H2 BGC 101 H2 BGC 101 8.392 3.974 0.379 237 H3 BGC 101 H3 BGC 101 6.189 1.895 0.481 238 H4 BGC 101 H4 BGC 101 9.044 1.939 1.540 239 H5 BGC 101 H5 BGC 101 6.287 1.889 2.896 240 H6C1 BGC 101 H61 BGC 101 9.096 2.009 4.061 241 H6C2 BGC 101 H62 BGC 101 7.933 0.678 4.286 242 H1 BGC 101 H1 BGC 101 5.655 3.915 1.695 243 HB BGC 101 HO2 BGC 101 6.701 5.131 -0.680 244 HC BGC 101 HO3 BGC 101 7.318 2.130 -1.496 245 HD BGC 101 HO4 BGC 101 8.458 -0.180 2.310 246 H6 BGC 101 HO6 BGC 101 7.548 3.392 5.086 Start of MODEL 7 1 H1 THR 1 H1 THR 1 3.770 0.877 8.846 2 H2 THR 1 H2 THR 1 3.980 1.943 10.163 3 H3 THR 1 H3 THR 1 5.142 1.845 8.952 4 HA THR 1 HA THR 1 2.401 2.759 8.493 5 HB THR 1 HB THR 1 4.919 4.425 8.696 6 HG1 THR 1 HG1 THR 1 4.640 4.370 10.801 7 HG21 THR 1 HG21 THR 1 1.972 5.144 8.803 8 HG22 THR 1 HG22 THR 1 3.038 5.403 7.424 9 HG23 THR 1 HG23 THR 1 3.313 6.281 8.929 10 H GLN 2 H GLN 2 2.065 3.314 6.335 11 HA GLN 2 HA GLN 2 4.120 2.345 4.499 12 HB2 GLN 2 HB2 GLN 2 1.852 1.315 4.419 13 HB3 GLN 2 HB3 GLN 2 1.189 2.880 3.994 14 HG2 GLN 2 HG2 GLN 2 1.458 1.449 2.036 15 HG3 GLN 2 HG3 GLN 2 2.447 2.905 1.938 16 HE21 GLN 2 HE21 GLN 2 2.462 -0.517 2.355 17 HE22 GLN 2 HE22 GLN 2 4.138 -0.753 2.074 18 H SER 3 H SER 3 5.203 3.722 3.282 19 HA SER 3 HA SER 3 4.813 6.482 3.486 20 HB2 SER 3 HB2 SER 3 6.733 6.677 1.987 21 HB3 SER 3 HB3 SER 3 7.058 5.503 3.241 22 H HIS 4 H HIS 4 4.711 7.924 1.558 23 HA HIS 4 HA HIS 4 2.261 7.588 0.210 24 HB2 HIS 4 HB2 HIS 4 3.505 9.771 0.780 25 HB3 HIS 4 HB3 HIS 4 4.502 9.448 -0.626 26 HD1 HIS 4 HD1 HIS 4 3.628 11.711 -1.661 27 HD2 HIS 4 HD2 HIS 4 0.678 8.870 -1.003 28 HE1 HIS 4 HE1 HIS 4 1.591 12.566 -2.849 29 HE2 HIS 4 HE2 HIS 4 -0.231 10.976 -2.154 30 H TYR 5 H TYR 5 1.776 6.640 -1.689 31 HA TYR 5 HA TYR 5 1.870 5.600 -3.589 32 HB2 TYR 5 HB2 TYR 5 4.740 6.522 -3.797 33 HB3 TYR 5 HB3 TYR 5 3.988 5.504 -5.008 34 HD1 TYR 5 HD1 TYR 5 3.910 8.858 -3.469 35 HD2 TYR 5 HD2 TYR 5 2.406 6.373 -6.563 36 HE1 TYR 5 HE1 TYR 5 2.947 10.819 -4.580 37 HE2 TYR 5 HE2 TYR 5 1.451 8.325 -7.683 38 HH TYR 5 HH TYR 5 2.271 11.451 -6.880 39 H GLY 6 H GLY 6 3.118 4.570 -0.886 40 HA2 GLY 6 HA2 GLY 6 4.250 2.090 -1.829 41 HA3 GLY 6 HA3 GLY 6 3.940 2.545 -0.156 42 H GLN 7 H GLN 7 3.297 0.020 -0.978 43 HA GLN 7 HA GLN 7 0.546 -0.057 -1.836 44 HB2 GLN 7 HB2 GLN 7 2.339 -1.713 -2.521 45 HB3 GLN 7 HB3 GLN 7 2.253 -2.356 -0.892 46 HG2 GLN 7 HG2 GLN 7 -0.129 -2.867 -1.255 47 HG3 GLN 7 HG3 GLN 7 0.026 -2.297 -2.913 48 HE21 GLN 7 HE21 GLN 7 -0.685 -4.999 -2.135 49 HE22 GLN 7 HE22 GLN 7 0.548 -6.012 -2.759 50 H CYS 8 H CYS 8 -0.922 0.449 -0.379 51 HA CYS 8 HA CYS 8 -0.380 0.287 2.459 52 HB2 CYS 8 HB2 CYS 8 -2.573 1.380 2.731 53 HB3 CYS 8 HB3 CYS 8 -1.465 2.245 1.668 54 H GLY 9 H GLY 9 -1.134 -2.133 0.685 55 HA2 GLY 9 HA2 GLY 9 -1.675 -4.173 1.882 56 HA3 GLY 9 HA3 GLY 9 -2.854 -3.244 2.790 57 H GLY 10 H GLY 10 -2.195 -4.967 -0.086 58 HA2 GLY 10 HA2 GLY 10 -4.985 -4.676 -0.952 59 HA3 GLY 10 HA3 GLY 10 -3.673 -5.409 -1.872 60 H ILE 11 H ILE 11 -5.403 -7.148 -1.997 61 HA ILE 11 HA ILE 11 -5.821 -8.806 0.241 62 HB ILE 11 HB ILE 11 -5.759 -9.540 -2.711 63 HG12 ILE 11 HG12 ILE 11 -8.107 -8.917 -0.903 64 HG13 ILE 11 HG13 ILE 11 -7.460 -7.852 -2.147 65 HG21 ILE 11 HG21 ILE 11 -6.894 -11.090 -0.385 66 HG22 ILE 11 HG22 ILE 11 -5.457 -11.518 -1.314 67 HG23 ILE 11 HG23 ILE 11 -7.045 -11.526 -2.086 68 HD11 ILE 11 HD11 ILE 11 -8.082 -9.467 -3.858 69 HD12 ILE 11 HD12 ILE 11 -9.479 -8.997 -2.885 70 HD13 ILE 11 HD13 ILE 11 -8.699 -10.553 -2.612 71 H GLY 12 H GLY 12 -4.396 -10.010 1.300 72 HA2 GLY 12 HA2 GLY 12 -2.730 -11.623 1.564 73 HA3 GLY 12 HA3 GLY 12 -2.277 -11.395 -0.118 74 H TYR 13 H TYR 13 -2.568 -8.457 1.522 75 HA TYR 13 HA TYR 13 0.342 -8.416 1.955 76 HB2 TYR 13 HB2 TYR 13 -0.501 -6.975 0.069 77 HB3 TYR 13 HB3 TYR 13 -1.427 -6.063 1.248 78 HD1 TYR 13 HD1 TYR 13 1.731 -6.482 -0.381 79 HD2 TYR 13 HD2 TYR 13 -0.087 -4.763 3.056 80 HE1 TYR 13 HE1 TYR 13 3.687 -5.018 -0.085 81 HE2 TYR 13 HE2 TYR 13 1.861 -3.297 3.359 82 HH TYR 13 HH TYR 13 4.162 -2.801 0.979 83 H SER 14 H SER 14 0.605 -8.632 4.118 84 HA SER 14 HA SER 14 -1.192 -7.108 5.849 85 HB2 SER 14 HB2 SER 14 -0.502 -8.785 7.600 86 HB3 SER 14 HB3 SER 14 -1.419 -9.455 6.250 87 HG SER 14 HG SER 14 0.162 -10.787 6.182 88 H GLY 15 H GLY 15 1.476 -6.444 4.450 89 HA2 GLY 15 HA2 GLY 15 3.264 -5.898 6.640 90 HA3 GLY 15 HA3 GLY 15 3.451 -5.364 4.974 91 HA PRO 16 HA PRO 16 2.538 -1.492 7.268 92 HB2 PRO 16 HB2 PRO 16 3.507 0.114 5.205 93 HB3 PRO 16 HB3 PRO 16 4.431 -0.418 6.609 94 HG2 PRO 16 HG2 PRO 16 4.442 -1.445 3.832 95 HG3 PRO 16 HG3 PRO 16 5.746 -1.418 5.027 96 HD2 PRO 16 HD2 PRO 16 4.335 -3.648 4.335 97 HD3 PRO 16 HD3 PRO 16 5.133 -3.438 5.906 98 H THR 17 H THR 17 0.397 -1.346 7.227 99 HA THR 17 HA THR 17 -1.036 -0.968 4.728 100 HB THR 17 HB THR 17 -2.979 -1.326 6.377 101 HG1 THR 17 HG1 THR 17 -2.387 -2.250 8.336 102 HG21 THR 17 HG21 THR 17 -0.958 -3.529 5.883 103 HG22 THR 17 HG22 THR 17 -2.214 -3.019 4.754 104 HG23 THR 17 HG23 THR 17 -2.657 -3.765 6.290 105 H VAL 18 H VAL 18 -0.656 0.439 7.937 106 HA VAL 18 HA VAL 18 -2.462 2.594 7.503 107 HB VAL 18 HB VAL 18 -0.280 2.332 9.596 108 HG11 VAL 18 HG11 VAL 18 -2.647 4.198 9.471 109 HG12 VAL 18 HG12 VAL 18 -0.942 4.637 9.345 110 HG13 VAL 18 HG13 VAL 18 -1.579 4.002 10.861 111 HG21 VAL 18 HG21 VAL 18 -2.087 1.624 11.098 112 HG22 VAL 18 HG22 VAL 18 -1.906 0.517 9.737 113 HG23 VAL 18 HG23 VAL 18 -3.226 1.684 9.754 114 H CYS 19 H CYS 19 -2.099 4.204 6.208 115 HA CYS 19 HA CYS 19 0.456 4.728 5.084 116 HB2 CYS 19 HB2 CYS 19 -2.133 6.262 4.831 117 HB3 CYS 19 HB3 CYS 19 -0.712 6.412 3.797 118 H ALA 20 H ALA 20 1.493 6.778 5.069 119 HA ALA 20 HA ALA 20 1.959 7.957 7.572 120 HB1 ALA 20 HB1 ALA 20 3.275 9.611 6.314 121 HB2 ALA 20 HB2 ALA 20 2.555 9.032 4.814 122 HB3 ALA 20 HB3 ALA 20 3.595 7.968 5.761 123 H SER 21 H SER 21 1.570 10.178 8.238 124 HA SER 21 HA SER 21 -1.105 10.945 8.149 125 HB2 SER 21 HB2 SER 21 1.268 12.686 8.810 126 HB3 SER 21 HB3 SER 21 -0.374 12.835 9.435 127 HG SER 21 HG SER 21 -0.091 10.855 10.526 128 H GLY 22 H GLY 22 -2.150 11.837 6.467 129 HA2 GLY 22 HA2 GLY 22 -2.422 13.782 5.074 130 HA3 GLY 22 HA3 GLY 22 -0.691 13.739 4.775 131 H THR 23 H THR 23 -1.403 10.606 4.702 132 HA THR 23 HA THR 23 -2.125 10.692 1.857 133 HB THR 23 HB THR 23 -0.793 8.652 1.506 134 HG1 THR 23 HG1 THR 23 -0.380 8.873 4.303 135 HG21 THR 23 HG21 THR 23 0.770 10.821 2.908 136 HG22 THR 23 HG22 THR 23 0.398 10.733 1.179 137 HG23 THR 23 HG23 THR 23 1.472 9.550 1.910 138 H THR 24 H THR 24 -3.544 9.079 1.107 139 HA THR 24 HA THR 24 -4.864 7.601 3.247 140 HB THR 24 HB THR 24 -6.971 7.929 1.723 141 HG1 THR 24 HG1 THR 24 -5.194 9.563 0.472 142 HG21 THR 24 HG21 THR 24 -6.769 8.731 4.033 143 HG22 THR 24 HG22 THR 24 -7.573 9.932 3.027 144 HG23 THR 24 HG23 THR 24 -5.879 10.145 3.468 145 H CYS 25 H CYS 25 -5.411 5.526 2.882 146 HA CYS 25 HA CYS 25 -4.041 4.154 0.810 147 HB2 CYS 25 HB2 CYS 25 -4.298 3.113 2.983 148 HB3 CYS 25 HB3 CYS 25 -6.054 3.146 2.834 149 H GLN 26 H GLN 26 -4.676 4.138 -1.208 150 HA GLN 26 HA GLN 26 -7.529 4.068 -1.823 151 HB2 GLN 26 HB2 GLN 26 -5.179 4.694 -3.619 152 HB3 GLN 26 HB3 GLN 26 -6.881 4.877 -4.012 153 HG2 GLN 26 HG2 GLN 26 -5.359 6.443 -1.942 154 HG3 GLN 26 HG3 GLN 26 -5.848 7.021 -3.535 155 HE21 GLN 26 HE21 GLN 26 -6.466 7.995 -0.880 156 HE22 GLN 26 HE22 GLN 26 -8.184 8.049 -0.773 157 H VAL 27 H VAL 27 -8.214 2.032 -2.249 158 HA VAL 27 HA VAL 27 -6.333 0.016 -3.075 159 HB VAL 27 HB VAL 27 -9.363 -0.159 -2.814 160 HG11 VAL 27 HG11 VAL 27 -8.466 -1.824 -4.370 161 HG12 VAL 27 HG12 VAL 27 -9.024 -2.597 -2.885 162 HG13 VAL 27 HG13 VAL 27 -7.299 -2.338 -3.157 163 HG21 VAL 27 HG21 VAL 27 -8.917 -1.359 -0.743 164 HG22 VAL 27 HG22 VAL 27 -8.220 0.265 -0.678 165 HG23 VAL 27 HG23 VAL 27 -7.186 -1.133 -0.973 166 H LEU 28 H LEU 28 -5.663 0.024 -5.031 167 HA LEU 28 HA LEU 28 -7.216 1.259 -7.156 168 HB2 LEU 28 HB2 LEU 28 -4.417 0.126 -7.134 169 HB3 LEU 28 HB3 LEU 28 -5.150 0.994 -8.468 170 HG LEU 28 HG LEU 28 -4.600 2.210 -5.753 171 HD11 LEU 28 HD11 LEU 28 -2.780 3.389 -6.884 172 HD12 LEU 28 HD12 LEU 28 -3.074 2.431 -8.339 173 HD13 LEU 28 HD13 LEU 28 -2.532 1.645 -6.857 174 HD21 LEU 28 HD21 LEU 28 -4.991 4.306 -6.903 175 HD22 LEU 28 HD22 LEU 28 -6.426 3.272 -6.980 176 HD23 LEU 28 HD23 LEU 28 -5.356 3.423 -8.386 177 H ASN 29 H ASN 29 -5.394 -1.725 -6.647 178 HA ASN 29 HA ASN 29 -7.176 -3.112 -8.535 179 HB2 ASN 29 HB2 ASN 29 -4.265 -3.745 -7.854 180 HB3 ASN 29 HB3 ASN 29 -5.285 -4.691 -8.908 181 HD21 ASN 29 HD21 ASN 29 -5.007 -1.189 -8.928 182 HD22 ASN 29 HD22 ASN 29 -4.255 -1.034 -10.456 183 HA PRO 30 HA PRO 30 -8.295 -5.810 -5.184 184 HB2 PRO 30 HB2 PRO 30 -6.969 -8.129 -6.520 185 HB3 PRO 30 HB3 PRO 30 -8.609 -8.004 -5.873 186 HG2 PRO 30 HG2 PRO 30 -8.231 -7.880 -8.486 187 HG3 PRO 30 HG3 PRO 30 -9.373 -6.770 -7.703 188 HD2 PRO 30 HD2 PRO 30 -6.600 -6.259 -8.683 189 HD3 PRO 30 HD3 PRO 30 -8.038 -5.218 -8.797 190 H TYR 31 H TYR 31 -4.952 -6.456 -6.291 191 HA TYR 31 HA TYR 31 -4.271 -7.031 -3.482 192 HB2 TYR 31 HB2 TYR 31 -2.555 -7.558 -5.932 193 HB3 TYR 31 HB3 TYR 31 -2.285 -8.128 -4.301 194 HD1 TYR 31 HD1 TYR 31 -3.351 -10.106 -3.486 195 HD2 TYR 31 HD2 TYR 31 -4.417 -8.539 -7.291 196 HE1 TYR 31 HE1 TYR 31 -4.562 -12.177 -4.005 197 HE2 TYR 31 HE2 TYR 31 -5.624 -10.596 -7.814 198 HH TYR 31 HH TYR 31 -5.610 -12.927 -7.132 199 H TYR 32 H TYR 32 -3.750 -4.816 -6.098 200 HA TYR 32 HA TYR 32 -1.619 -3.558 -4.591 201 HB2 TYR 32 HB2 TYR 32 -1.281 -3.866 -7.021 202 HB3 TYR 32 HB3 TYR 32 -2.617 -2.754 -7.326 203 HD1 TYR 32 HD1 TYR 32 0.572 -2.926 -5.429 204 HD2 TYR 32 HD2 TYR 32 -2.123 -0.493 -7.666 205 HE1 TYR 32 HE1 TYR 32 2.130 -1.046 -5.240 206 HE2 TYR 32 HE2 TYR 32 -0.561 1.396 -7.483 207 HH TYR 32 HH TYR 32 2.645 0.990 -6.433 208 H SER 33 H SER 33 -2.087 -2.161 -3.138 209 HA SER 33 HA SER 33 -4.211 -0.211 -3.615 210 HB2 SER 33 HB2 SER 33 -3.262 -1.360 -0.965 211 HB3 SER 33 HB3 SER 33 -4.595 -0.231 -1.197 212 HG SER 33 HG SER 33 -5.115 -2.553 -0.953 213 H GLN 34 H GLN 34 -3.522 1.955 -2.977 214 HA GLN 34 HA GLN 34 -0.669 2.139 -2.325 215 HB2 GLN 34 HB2 GLN 34 -0.752 2.302 -4.709 216 HB3 GLN 34 HB3 GLN 34 -2.065 3.464 -4.643 217 HG2 GLN 34 HG2 GLN 34 -0.587 5.112 -3.666 218 HG3 GLN 34 HG3 GLN 34 0.711 3.924 -3.618 219 HE21 GLN 34 HE21 GLN 34 1.829 3.477 -5.446 220 HE22 GLN 34 HE22 GLN 34 1.656 4.346 -6.911 221 H CYS 35 H CYS 35 -0.141 3.735 -0.942 222 HA CYS 35 HA CYS 35 -2.242 5.346 0.204 223 HB2 CYS 35 HB2 CYS 35 0.748 5.581 0.713 224 HB3 CYS 35 HB3 CYS 35 -0.546 6.316 1.622 225 H LEU 36 H LEU 36 -2.976 7.038 -0.748 226 HA LEU 36 HA LEU 36 -1.126 8.808 -2.106 227 HB2 LEU 36 HB2 LEU 36 -3.941 8.042 -2.862 228 HB3 LEU 36 HB3 LEU 36 -3.127 9.449 -3.514 229 HG LEU 36 HG LEU 36 -2.164 6.606 -3.849 230 HD11 LEU 36 HD11 LEU 36 -3.561 8.440 -5.786 231 HD12 LEU 36 HD12 LEU 36 -4.244 6.984 -5.057 232 HD13 LEU 36 HD13 LEU 36 -2.881 6.860 -6.168 233 HD21 LEU 36 HD21 LEU 36 -0.663 7.605 -5.512 234 HD22 LEU 36 HD22 LEU 36 -0.349 8.218 -3.896 235 HD23 LEU 36 HD23 LEU 36 -1.234 9.210 -5.059 236 H2 BGC 101 H2 BGC 101 8.419 2.737 0.514 237 H3 BGC 101 H3 BGC 101 6.022 0.939 0.903 238 H4 BGC 101 H4 BGC 101 8.845 0.894 2.068 239 H5 BGC 101 H5 BGC 101 6.086 1.392 3.333 240 H6C1 BGC 101 H61 BGC 101 8.932 1.434 4.429 241 H6C2 BGC 101 H62 BGC 101 7.609 0.356 4.922 242 H1 BGC 101 H1 BGC 101 5.639 3.109 1.690 243 HB BGC 101 HO2 BGC 101 6.901 3.784 -0.855 244 HC BGC 101 HO3 BGC 101 7.257 0.633 -1.036 245 HD BGC 101 HO4 BGC 101 7.916 -1.147 1.676 246 H6 BGC 101 HO6 BGC 101 6.438 2.277 5.637 Start of MODEL 8 1 H1 THR 1 H1 THR 1 5.223 2.428 9.882 2 H2 THR 1 H2 THR 1 6.195 2.962 8.601 3 H3 THR 1 H3 THR 1 5.312 1.544 8.434 4 HA THR 1 HA THR 1 3.274 2.789 8.542 5 HB THR 1 HB THR 1 5.090 5.211 8.655 6 HG1 THR 1 HG1 THR 1 3.826 5.091 10.913 7 HG21 THR 1 HG21 THR 1 3.005 6.388 9.229 8 HG22 THR 1 HG22 THR 1 2.110 4.874 9.109 9 HG23 THR 1 HG23 THR 1 2.849 5.576 7.672 10 H GLN 2 H GLN 2 2.485 2.954 6.478 11 HA GLN 2 HA GLN 2 4.368 2.620 4.367 12 HB2 GLN 2 HB2 GLN 2 2.173 1.427 4.495 13 HB3 GLN 2 HB3 GLN 2 1.374 2.961 4.182 14 HG2 GLN 2 HG2 GLN 2 1.562 1.596 2.173 15 HG3 GLN 2 HG3 GLN 2 2.456 3.113 2.022 16 HE21 GLN 2 HE21 GLN 2 2.703 -0.313 2.355 17 HE22 GLN 2 HE22 GLN 2 4.374 -0.436 1.960 18 H SER 3 H SER 3 5.215 4.104 3.151 19 HA SER 3 HA SER 3 4.547 6.827 3.546 20 HB2 SER 3 HB2 SER 3 6.498 7.318 2.256 21 HB3 SER 3 HB3 SER 3 6.894 5.981 3.310 22 H HIS 4 H HIS 4 4.724 8.170 1.310 23 HA HIS 4 HA HIS 4 2.196 7.754 0.076 24 HB2 HIS 4 HB2 HIS 4 3.552 9.960 0.504 25 HB3 HIS 4 HB3 HIS 4 4.365 9.553 -1.000 26 HD1 HIS 4 HD1 HIS 4 3.143 12.064 -1.464 27 HD2 HIS 4 HD2 HIS 4 0.755 8.678 -1.412 28 HE1 HIS 4 HE1 HIS 4 0.972 12.766 -2.461 29 HE2 HIS 4 HE2 HIS 4 -0.502 10.845 -1.827 30 H TYR 5 H TYR 5 1.754 6.658 -1.764 31 HA TYR 5 HA TYR 5 1.911 5.637 -3.705 32 HB2 TYR 5 HB2 TYR 5 4.862 6.338 -3.781 33 HB3 TYR 5 HB3 TYR 5 4.003 5.522 -5.077 34 HD1 TYR 5 HD1 TYR 5 4.807 8.694 -3.561 35 HD2 TYR 5 HD2 TYR 5 2.166 6.776 -6.283 36 HE1 TYR 5 HE1 TYR 5 4.219 10.871 -4.509 37 HE2 TYR 5 HE2 TYR 5 1.567 8.958 -7.248 38 HH TYR 5 HH TYR 5 3.362 11.757 -6.597 39 H GLY 6 H GLY 6 3.118 4.590 -0.905 40 HA2 GLY 6 HA2 GLY 6 4.239 2.085 -1.821 41 HA3 GLY 6 HA3 GLY 6 3.923 2.560 -0.160 42 H GLN 7 H GLN 7 3.323 -0.006 -1.066 43 HA GLN 7 HA GLN 7 0.533 -0.139 -1.773 44 HB2 GLN 7 HB2 GLN 7 2.291 -1.821 -2.529 45 HB3 GLN 7 HB3 GLN 7 2.301 -2.419 -0.877 46 HG2 GLN 7 HG2 GLN 7 -0.075 -3.010 -1.083 47 HG3 GLN 7 HG3 GLN 7 -0.068 -2.433 -2.748 48 HE21 GLN 7 HE21 GLN 7 -0.712 -5.126 -1.916 49 HE22 GLN 7 HE22 GLN 7 0.481 -6.126 -2.612 50 H CYS 8 H CYS 8 -0.919 0.293 -0.296 51 HA CYS 8 HA CYS 8 -0.289 0.059 2.519 52 HB2 CYS 8 HB2 CYS 8 -2.454 1.193 2.844 53 HB3 CYS 8 HB3 CYS 8 -1.313 2.084 1.845 54 H GLY 9 H GLY 9 -1.068 -2.317 0.710 55 HA2 GLY 9 HA2 GLY 9 -1.704 -4.376 1.932 56 HA3 GLY 9 HA3 GLY 9 -2.886 -3.392 2.765 57 H GLY 10 H GLY 10 -2.153 -5.193 -0.038 58 HA2 GLY 10 HA2 GLY 10 -4.902 -4.857 -0.972 59 HA3 GLY 10 HA3 GLY 10 -3.585 -5.618 -1.869 60 H ILE 11 H ILE 11 -5.337 -7.283 -2.044 61 HA ILE 11 HA ILE 11 -6.048 -8.932 0.108 62 HB ILE 11 HB ILE 11 -5.661 -9.666 -2.822 63 HG12 ILE 11 HG12 ILE 11 -8.179 -8.857 -1.349 64 HG13 ILE 11 HG13 ILE 11 -7.267 -7.824 -2.445 65 HG21 ILE 11 HG21 ILE 11 -5.715 -11.646 -1.429 66 HG22 ILE 11 HG22 ILE 11 -7.194 -11.525 -2.385 67 HG23 ILE 11 HG23 ILE 11 -7.214 -11.103 -0.673 68 HD11 ILE 11 HD11 ILE 11 -7.766 -9.335 -4.290 69 HD12 ILE 11 HD12 ILE 11 -9.248 -8.767 -3.514 70 HD13 ILE 11 HD13 ILE 11 -8.650 -10.393 -3.192 71 H GLY 12 H GLY 12 -4.617 -9.929 1.426 72 HA2 GLY 12 HA2 GLY 12 -3.101 -11.639 1.874 73 HA3 GLY 12 HA3 GLY 12 -2.535 -11.552 0.218 74 H TYR 13 H TYR 13 -2.577 -8.413 1.355 75 HA TYR 13 HA TYR 13 0.215 -8.710 2.236 76 HB2 TYR 13 HB2 TYR 13 -0.064 -7.433 0.092 77 HB3 TYR 13 HB3 TYR 13 -0.985 -6.220 0.979 78 HD1 TYR 13 HD1 TYR 13 0.185 -4.480 2.191 79 HD2 TYR 13 HD2 TYR 13 2.333 -7.826 0.664 80 HE1 TYR 13 HE1 TYR 13 2.283 -3.356 2.723 81 HE2 TYR 13 HE2 TYR 13 4.454 -6.704 1.195 82 HH TYR 13 HH TYR 13 5.317 -4.496 1.568 83 H SER 14 H SER 14 0.221 -8.729 4.349 84 HA SER 14 HA SER 14 -1.433 -6.838 5.823 85 HB2 SER 14 HB2 SER 14 -0.743 -8.524 7.674 86 HB3 SER 14 HB3 SER 14 -1.975 -8.988 6.497 87 HG SER 14 HG SER 14 0.344 -10.146 7.007 88 H GLY 15 H GLY 15 1.166 -6.220 4.538 89 HA2 GLY 15 HA2 GLY 15 3.104 -5.968 6.686 90 HA3 GLY 15 HA3 GLY 15 3.263 -5.357 5.041 91 HA PRO 16 HA PRO 16 2.516 -1.574 7.475 92 HB2 PRO 16 HB2 PRO 16 3.640 0.117 5.614 93 HB3 PRO 16 HB3 PRO 16 4.548 -0.660 6.912 94 HG2 PRO 16 HG2 PRO 16 4.328 -1.413 4.040 95 HG3 PRO 16 HG3 PRO 16 5.728 -1.499 5.118 96 HD2 PRO 16 HD2 PRO 16 4.239 -3.653 4.430 97 HD3 PRO 16 HD3 PRO 16 5.091 -3.532 5.979 98 H THR 17 H THR 17 0.339 -1.604 7.221 99 HA THR 17 HA THR 17 -0.777 -0.907 4.638 100 HB THR 17 HB THR 17 -2.881 -1.794 5.731 101 HG1 THR 17 HG1 THR 17 -2.253 -3.215 7.587 102 HG21 THR 17 HG21 THR 17 -2.190 -4.138 5.457 103 HG22 THR 17 HG22 THR 17 -0.501 -3.657 5.589 104 HG23 THR 17 HG23 THR 17 -1.450 -3.137 4.205 105 H VAL 18 H VAL 18 0.028 0.507 7.532 106 HA VAL 18 HA VAL 18 -2.230 2.331 7.544 107 HB VAL 18 HB VAL 18 0.149 2.203 9.423 108 HG11 VAL 18 HG11 VAL 18 -2.470 3.687 9.635 109 HG12 VAL 18 HG12 VAL 18 -0.867 4.395 9.400 110 HG13 VAL 18 HG13 VAL 18 -1.256 3.562 10.907 111 HG21 VAL 18 HG21 VAL 18 -1.389 1.149 11.031 112 HG22 VAL 18 HG22 VAL 18 -1.166 0.160 9.587 113 HG23 VAL 18 HG23 VAL 18 -2.640 1.103 9.788 114 H CYS 19 H CYS 19 -2.079 4.137 6.400 115 HA CYS 19 HA CYS 19 0.395 4.789 5.109 116 HB2 CYS 19 HB2 CYS 19 -2.284 6.191 4.981 117 HB3 CYS 19 HB3 CYS 19 -0.913 6.446 3.901 118 H ALA 20 H ALA 20 1.470 6.728 5.229 119 HA ALA 20 HA ALA 20 1.801 7.893 7.744 120 HB1 ALA 20 HB1 ALA 20 2.568 8.999 5.043 121 HB2 ALA 20 HB2 ALA 20 3.536 7.892 6.018 122 HB3 ALA 20 HB3 ALA 20 3.212 9.527 6.596 123 H SER 21 H SER 21 1.316 9.982 8.456 124 HA SER 21 HA SER 21 -1.333 10.764 8.150 125 HB2 SER 21 HB2 SER 21 1.005 12.346 9.224 126 HB3 SER 21 HB3 SER 21 -0.702 12.708 9.505 127 HG SER 21 HG SER 21 0.321 10.167 10.134 128 H GLY 22 H GLY 22 -2.229 11.646 6.430 129 HA2 GLY 22 HA2 GLY 22 -2.381 13.762 5.185 130 HA3 GLY 22 HA3 GLY 22 -0.654 13.602 4.889 131 H THR 23 H THR 23 -1.459 10.569 4.685 132 HA THR 23 HA THR 23 -2.337 10.774 1.893 133 HB THR 23 HB THR 23 -0.980 8.758 1.391 134 HG1 THR 23 HG1 THR 23 -0.376 8.962 4.161 135 HG21 THR 23 HG21 THR 23 0.022 10.955 1.017 136 HG22 THR 23 HG22 THR 23 1.247 9.796 1.531 137 HG23 THR 23 HG23 THR 23 0.612 10.980 2.676 138 H THR 24 H THR 24 -3.594 8.923 1.132 139 HA THR 24 HA THR 24 -4.834 7.476 3.341 140 HB THR 24 HB THR 24 -6.964 7.671 1.819 141 HG1 THR 24 HG1 THR 24 -5.317 9.138 0.401 142 HG21 THR 24 HG21 THR 24 -5.936 9.966 3.498 143 HG22 THR 24 HG22 THR 24 -6.795 8.547 4.101 144 HG23 THR 24 HG23 THR 24 -7.621 9.703 3.055 145 H CYS 25 H CYS 25 -5.415 5.363 2.958 146 HA CYS 25 HA CYS 25 -4.010 4.015 0.883 147 HB2 CYS 25 HB2 CYS 25 -4.346 2.993 3.105 148 HB3 CYS 25 HB3 CYS 25 -6.081 2.958 2.827 149 H GLN 26 H GLN 26 -4.657 3.934 -1.143 150 HA GLN 26 HA GLN 26 -7.517 3.991 -1.743 151 HB2 GLN 26 HB2 GLN 26 -5.171 4.700 -3.497 152 HB3 GLN 26 HB3 GLN 26 -6.867 5.007 -3.818 153 HG2 GLN 26 HG2 GLN 26 -5.288 6.263 -1.579 154 HG3 GLN 26 HG3 GLN 26 -5.598 6.993 -3.149 155 HE21 GLN 26 HE21 GLN 26 -6.451 8.679 -1.960 156 HE22 GLN 26 HE22 GLN 26 -8.093 8.655 -1.393 157 H VAL 27 H VAL 27 -8.258 2.186 -2.765 158 HA VAL 27 HA VAL 27 -6.306 0.098 -3.301 159 HB VAL 27 HB VAL 27 -9.328 -0.112 -3.396 160 HG11 VAL 27 HG11 VAL 27 -7.168 -2.199 -3.210 161 HG12 VAL 27 HG12 VAL 27 -8.221 -1.889 -4.594 162 HG13 VAL 27 HG13 VAL 27 -8.896 -2.512 -3.086 163 HG21 VAL 27 HG21 VAL 27 -9.188 -1.105 -1.157 164 HG22 VAL 27 HG22 VAL 27 -8.644 0.572 -1.168 165 HG23 VAL 27 HG23 VAL 27 -7.462 -0.738 -1.112 166 H LEU 28 H LEU 28 -5.432 0.273 -5.238 167 HA LEU 28 HA LEU 28 -6.883 1.493 -7.445 168 HB2 LEU 28 HB2 LEU 28 -4.114 0.317 -7.464 169 HB3 LEU 28 HB3 LEU 28 -4.806 1.393 -8.652 170 HG LEU 28 HG LEU 28 -3.989 2.079 -5.835 171 HD11 LEU 28 HD11 LEU 28 -2.989 3.033 -8.501 172 HD12 LEU 28 HD12 LEU 28 -2.215 1.837 -7.481 173 HD13 LEU 28 HD13 LEU 28 -2.364 3.507 -6.916 174 HD21 LEU 28 HD21 LEU 28 -4.612 4.372 -6.392 175 HD22 LEU 28 HD22 LEU 28 -6.009 3.288 -6.373 176 HD23 LEU 28 HD23 LEU 28 -5.308 3.803 -7.914 177 H ASN 29 H ASN 29 -5.621 -1.603 -6.495 178 HA ASN 29 HA ASN 29 -7.102 -2.888 -8.645 179 HB2 ASN 29 HB2 ASN 29 -4.241 -3.603 -7.841 180 HB3 ASN 29 HB3 ASN 29 -5.238 -4.446 -9.008 181 HD21 ASN 29 HD21 ASN 29 -3.339 -1.609 -8.420 182 HD22 ASN 29 HD22 ASN 29 -3.185 -1.092 -10.041 183 HA PRO 30 HA PRO 30 -8.419 -5.541 -5.321 184 HB2 PRO 30 HB2 PRO 30 -7.212 -7.909 -6.671 185 HB3 PRO 30 HB3 PRO 30 -8.858 -7.675 -6.072 186 HG2 PRO 30 HG2 PRO 30 -8.374 -7.558 -8.673 187 HG3 PRO 30 HG3 PRO 30 -9.495 -6.411 -7.917 188 HD2 PRO 30 HD2 PRO 30 -6.669 -5.992 -8.799 189 HD3 PRO 30 HD3 PRO 30 -8.054 -4.891 -8.928 190 H TYR 31 H TYR 31 -5.166 -6.510 -6.458 191 HA TYR 31 HA TYR 31 -4.485 -7.077 -3.665 192 HB2 TYR 31 HB2 TYR 31 -2.948 -7.705 -6.208 193 HB3 TYR 31 HB3 TYR 31 -2.388 -8.066 -4.592 194 HD1 TYR 31 HD1 TYR 31 -5.327 -8.754 -6.825 195 HD2 TYR 31 HD2 TYR 31 -2.788 -10.159 -3.730 196 HE1 TYR 31 HE1 TYR 31 -6.443 -10.946 -6.915 197 HE2 TYR 31 HE2 TYR 31 -3.886 -12.353 -3.804 198 HH TYR 31 HH TYR 31 -5.919 -13.261 -6.341 199 H TYR 32 H TYR 32 -3.852 -4.761 -6.176 200 HA TYR 32 HA TYR 32 -1.701 -3.695 -4.538 201 HB2 TYR 32 HB2 TYR 32 -1.268 -3.911 -6.963 202 HB3 TYR 32 HB3 TYR 32 -2.542 -2.741 -7.273 203 HD1 TYR 32 HD1 TYR 32 -2.060 -0.427 -7.271 204 HD2 TYR 32 HD2 TYR 32 0.706 -3.161 -5.536 205 HE1 TYR 32 HE1 TYR 32 -0.414 1.382 -7.030 206 HE2 TYR 32 HE2 TYR 32 2.346 -1.352 -5.299 207 HH TYR 32 HH TYR 32 1.463 1.938 -5.868 208 H SER 33 H SER 33 -2.197 -2.373 -3.010 209 HA SER 33 HA SER 33 -4.228 -0.309 -3.477 210 HB2 SER 33 HB2 SER 33 -3.235 -1.445 -0.838 211 HB3 SER 33 HB3 SER 33 -4.561 -0.303 -1.052 212 HG SER 33 HG SER 33 -4.844 -2.756 -0.804 213 H GLN 34 H GLN 34 -3.504 1.845 -2.826 214 HA GLN 34 HA GLN 34 -0.668 2.056 -2.170 215 HB2 GLN 34 HB2 GLN 34 -0.586 2.104 -4.530 216 HB3 GLN 34 HB3 GLN 34 -2.000 3.132 -4.636 217 HG2 GLN 34 HG2 GLN 34 -0.760 5.016 -3.835 218 HG3 GLN 34 HG3 GLN 34 0.638 3.990 -3.497 219 HE21 GLN 34 HE21 GLN 34 2.018 3.461 -5.133 220 HE22 GLN 34 HE22 GLN 34 1.820 4.057 -6.744 221 H CYS 35 H CYS 35 -0.208 3.731 -0.842 222 HA CYS 35 HA CYS 35 -2.398 5.345 0.099 223 HB2 CYS 35 HB2 CYS 35 0.527 5.750 0.776 224 HB3 CYS 35 HB3 CYS 35 -0.897 6.366 1.597 225 H LEU 36 H LEU 36 -3.066 7.046 -0.877 226 HA LEU 36 HA LEU 36 -1.181 8.753 -2.300 227 HB2 LEU 36 HB2 LEU 36 -4.061 8.164 -2.996 228 HB3 LEU 36 HB3 LEU 36 -3.097 9.409 -3.751 229 HG LEU 36 HG LEU 36 -2.492 6.449 -3.906 230 HD11 LEU 36 HD11 LEU 36 -3.661 8.309 -5.964 231 HD12 LEU 36 HD12 LEU 36 -4.525 7.020 -5.128 232 HD13 LEU 36 HD13 LEU 36 -3.205 6.626 -6.229 233 HD21 LEU 36 HD21 LEU 36 -0.884 7.121 -5.622 234 HD22 LEU 36 HD22 LEU 36 -0.492 7.835 -4.062 235 HD23 LEU 36 HD23 LEU 36 -1.251 8.818 -5.315 236 H2 BGC 101 H2 BGC 101 8.311 3.833 0.015 237 H3 BGC 101 H3 BGC 101 6.147 1.720 0.327 238 H4 BGC 101 H4 BGC 101 9.048 1.907 1.211 239 H5 BGC 101 H5 BGC 101 6.412 1.821 2.795 240 H6C1 BGC 101 H61 BGC 101 9.332 2.111 3.580 241 H6C2 BGC 101 H62 BGC 101 8.289 0.732 3.993 242 H1 BGC 101 H1 BGC 101 5.633 3.802 1.465 243 HB BGC 101 HO2 BGC 101 6.935 3.551 -1.794 244 HC BGC 101 HO3 BGC 101 7.677 0.503 -0.926 245 HD BGC 101 HO4 BGC 101 7.094 -0.177 1.472 246 H6 BGC 101 HO6 BGC 101 7.606 3.425 4.713 Start of MODEL 9 1 H1 THR 1 H1 THR 1 5.344 2.492 8.925 2 H2 THR 1 H2 THR 1 4.364 1.251 8.406 3 H3 THR 1 H3 THR 1 4.128 1.952 9.950 4 HA THR 1 HA THR 1 2.482 2.747 8.412 5 HB THR 1 HB THR 1 4.551 4.814 9.223 6 HG1 THR 1 HG1 THR 1 3.154 4.781 11.180 7 HG21 THR 1 HG21 THR 1 1.537 4.976 8.983 8 HG22 THR 1 HG22 THR 1 2.689 5.694 7.858 9 HG23 THR 1 HG23 THR 1 2.602 6.276 9.522 10 H GLN 2 H GLN 2 2.119 2.761 6.328 11 HA GLN 2 HA GLN 2 4.242 2.561 4.485 12 HB2 GLN 2 HB2 GLN 2 2.124 1.292 4.320 13 HB3 GLN 2 HB3 GLN 2 1.281 2.789 3.963 14 HG2 GLN 2 HG2 GLN 2 1.734 1.487 1.953 15 HG3 GLN 2 HG3 GLN 2 2.550 3.050 1.923 16 HE21 GLN 2 HE21 GLN 2 2.975 -0.372 2.141 17 HE22 GLN 2 HE22 GLN 2 4.675 -0.380 1.896 18 H SER 3 H SER 3 5.176 4.067 3.321 19 HA SER 3 HA SER 3 4.491 6.789 3.596 20 HB2 SER 3 HB2 SER 3 6.475 7.227 2.290 21 HB3 SER 3 HB3 SER 3 6.826 5.973 3.465 22 H HIS 4 H HIS 4 4.550 8.210 1.585 23 HA HIS 4 HA HIS 4 2.241 7.802 0.067 24 HB2 HIS 4 HB2 HIS 4 3.481 9.979 0.629 25 HB3 HIS 4 HB3 HIS 4 4.549 9.587 -0.710 26 HD1 HIS 4 HD1 HIS 4 3.738 11.807 -1.832 27 HD2 HIS 4 HD2 HIS 4 0.777 8.957 -1.276 28 HE1 HIS 4 HE1 HIS 4 1.718 12.667 -3.073 29 HE2 HIS 4 HE2 HIS 4 0.065 10.831 -2.957 30 H TYR 5 H TYR 5 1.867 6.798 -1.800 31 HA TYR 5 HA TYR 5 2.069 5.724 -3.717 32 HB2 TYR 5 HB2 TYR 5 4.963 6.589 -3.707 33 HB3 TYR 5 HB3 TYR 5 4.278 5.586 -4.977 34 HD1 TYR 5 HD1 TYR 5 2.680 6.528 -6.562 35 HD2 TYR 5 HD2 TYR 5 4.430 8.937 -3.535 36 HE1 TYR 5 HE1 TYR 5 1.975 8.546 -7.769 37 HE2 TYR 5 HE2 TYR 5 3.717 10.959 -4.727 38 HH TYR 5 HH TYR 5 1.519 10.829 -7.338 39 H GLY 6 H GLY 6 3.257 4.743 -0.902 40 HA2 GLY 6 HA2 GLY 6 4.435 2.287 -1.798 41 HA3 GLY 6 HA3 GLY 6 4.079 2.744 -0.136 42 H GLN 7 H GLN 7 3.538 0.191 -1.231 43 HA GLN 7 HA GLN 7 0.705 0.122 -1.761 44 HB2 GLN 7 HB2 GLN 7 2.228 -1.490 -2.881 45 HB3 GLN 7 HB3 GLN 7 2.622 -2.176 -1.310 46 HG2 GLN 7 HG2 GLN 7 0.230 -2.777 -1.003 47 HG3 GLN 7 HG3 GLN 7 -0.089 -2.132 -2.597 48 HE21 GLN 7 HE21 GLN 7 -0.450 -4.838 -1.622 49 HE22 GLN 7 HE22 GLN 7 0.449 -5.843 -2.682 50 H CYS 8 H CYS 8 -0.552 0.526 -0.113 51 HA CYS 8 HA CYS 8 0.186 0.085 2.583 52 HB2 CYS 8 HB2 CYS 8 -2.317 0.615 2.951 53 HB3 CYS 8 HB3 CYS 8 -1.257 1.869 2.314 54 H GLY 9 H GLY 9 -1.967 -1.692 0.406 55 HA2 GLY 9 HA2 GLY 9 -1.474 -4.126 1.391 56 HA3 GLY 9 HA3 GLY 9 -2.570 -3.466 2.589 57 H GLY 10 H GLY 10 -2.239 -4.946 -0.402 58 HA2 GLY 10 HA2 GLY 10 -5.104 -4.747 -0.903 59 HA3 GLY 10 HA3 GLY 10 -3.896 -5.401 -2.011 60 H ILE 11 H ILE 11 -5.590 -7.179 -1.942 61 HA ILE 11 HA ILE 11 -5.775 -8.912 0.255 62 HB ILE 11 HB ILE 11 -5.908 -9.614 -2.700 63 HG12 ILE 11 HG12 ILE 11 -8.157 -8.958 -0.780 64 HG13 ILE 11 HG13 ILE 11 -7.504 -7.841 -1.967 65 HG21 ILE 11 HG21 ILE 11 -5.601 -11.602 -1.310 66 HG22 ILE 11 HG22 ILE 11 -7.237 -11.556 -1.970 67 HG23 ILE 11 HG23 ILE 11 -6.954 -11.114 -0.288 68 HD11 ILE 11 HD11 ILE 11 -8.843 -10.460 -2.571 69 HD12 ILE 11 HD12 ILE 11 -8.223 -9.317 -3.762 70 HD13 ILE 11 HD13 ILE 11 -9.579 -8.862 -2.726 71 H GLY 12 H GLY 12 -4.124 -9.881 1.231 72 HA2 GLY 12 HA2 GLY 12 -2.515 -11.654 1.216 73 HA3 GLY 12 HA3 GLY 12 -2.094 -11.209 -0.431 74 H TYR 13 H TYR 13 -2.414 -8.403 1.300 75 HA TYR 13 HA TYR 13 0.451 -8.417 1.969 76 HB2 TYR 13 HB2 TYR 13 -0.231 -6.930 0.044 77 HB3 TYR 13 HB3 TYR 13 -1.243 -6.040 1.169 78 HD1 TYR 13 HD1 TYR 13 -0.092 -4.761 3.059 79 HD2 TYR 13 HD2 TYR 13 2.076 -6.485 -0.169 80 HE1 TYR 13 HE1 TYR 13 1.812 -3.313 3.578 81 HE2 TYR 13 HE2 TYR 13 3.995 -5.040 0.346 82 HH TYR 13 HH TYR 13 4.328 -2.824 1.449 83 H SER 14 H SER 14 0.868 -8.145 4.089 84 HA SER 14 HA SER 14 -1.230 -6.995 5.788 85 HB2 SER 14 HB2 SER 14 -0.543 -8.781 7.436 86 HB3 SER 14 HB3 SER 14 -1.416 -9.349 6.008 87 HG SER 14 HG SER 14 0.759 -10.327 6.823 88 H GLY 15 H GLY 15 1.367 -5.958 4.682 89 HA2 GLY 15 HA2 GLY 15 3.091 -5.776 7.021 90 HA3 GLY 15 HA3 GLY 15 3.426 -5.118 5.427 91 HA PRO 16 HA PRO 16 2.353 -1.369 7.673 92 HB2 PRO 16 HB2 PRO 16 3.328 0.352 5.792 93 HB3 PRO 16 HB3 PRO 16 4.327 -0.410 7.032 94 HG2 PRO 16 HG2 PRO 16 3.983 -1.155 4.165 95 HG3 PRO 16 HG3 PRO 16 5.449 -1.154 5.155 96 HD2 PRO 16 HD2 PRO 16 4.042 -3.414 4.583 97 HD3 PRO 16 HD3 PRO 16 4.982 -3.205 6.073 98 H THR 17 H THR 17 0.190 -1.597 7.458 99 HA THR 17 HA THR 17 -1.130 -1.199 4.926 100 HB THR 17 HB THR 17 -3.175 -1.692 6.362 101 HG1 THR 17 HG1 THR 17 -1.726 -2.919 8.304 102 HG21 THR 17 HG21 THR 17 -0.947 -3.745 6.279 103 HG22 THR 17 HG22 THR 17 -2.086 -3.420 4.976 104 HG23 THR 17 HG23 THR 17 -2.658 -4.107 6.497 105 H VAL 18 H VAL 18 -0.715 0.332 7.999 106 HA VAL 18 HA VAL 18 -2.593 2.424 7.436 107 HB VAL 18 HB VAL 18 -0.508 2.287 9.638 108 HG11 VAL 18 HG11 VAL 18 -1.282 4.554 9.229 109 HG12 VAL 18 HG12 VAL 18 -1.915 3.954 10.762 110 HG13 VAL 18 HG13 VAL 18 -2.959 4.023 9.345 111 HG21 VAL 18 HG21 VAL 18 -3.432 1.539 9.704 112 HG22 VAL 18 HG22 VAL 18 -2.345 1.559 11.091 113 HG23 VAL 18 HG23 VAL 18 -2.078 0.415 9.774 114 H CYS 19 H CYS 19 -2.181 4.002 6.169 115 HA CYS 19 HA CYS 19 0.399 4.571 5.083 116 HB2 CYS 19 HB2 CYS 19 -2.204 6.074 4.846 117 HB3 CYS 19 HB3 CYS 19 -0.784 6.264 3.820 118 H ALA 20 H ALA 20 1.466 6.587 5.202 119 HA ALA 20 HA ALA 20 1.638 7.694 7.796 120 HB1 ALA 20 HB1 ALA 20 2.752 8.729 5.185 121 HB2 ALA 20 HB2 ALA 20 3.559 7.615 6.288 122 HB3 ALA 20 HB3 ALA 20 3.230 9.271 6.793 123 H SER 21 H SER 21 1.253 9.882 8.409 124 HA SER 21 HA SER 21 -1.320 10.768 7.942 125 HB2 SER 21 HB2 SER 21 1.030 12.390 8.912 126 HB3 SER 21 HB3 SER 21 -0.674 12.693 9.249 127 HG SER 21 HG SER 21 1.073 11.016 10.470 128 H GLY 22 H GLY 22 -2.132 11.585 6.135 129 HA2 GLY 22 HA2 GLY 22 -2.120 13.611 4.737 130 HA3 GLY 22 HA3 GLY 22 -0.414 13.278 4.461 131 H THR 23 H THR 23 -1.260 10.322 4.492 132 HA THR 23 HA THR 23 -2.110 10.328 1.689 133 HB THR 23 HB THR 23 -0.875 8.233 1.399 134 HG1 THR 23 HG1 THR 23 -0.250 8.672 4.143 135 HG21 THR 23 HG21 THR 23 0.742 10.507 2.503 136 HG22 THR 23 HG22 THR 23 0.255 10.261 0.819 137 HG23 THR 23 HG23 THR 23 1.408 9.167 1.577 138 H THR 24 H THR 24 -3.611 8.777 1.036 139 HA THR 24 HA THR 24 -4.918 7.279 3.182 140 HB THR 24 HB THR 24 -6.983 7.448 1.690 141 HG1 THR 24 HG1 THR 24 -5.239 9.088 0.231 142 HG21 THR 24 HG21 THR 24 -7.607 9.691 2.530 143 HG22 THR 24 HG22 THR 24 -5.921 9.976 2.970 144 HG23 THR 24 HG23 THR 24 -6.841 8.699 3.767 145 H CYS 25 H CYS 25 -5.356 5.152 2.789 146 HA CYS 25 HA CYS 25 -3.822 3.901 0.763 147 HB2 CYS 25 HB2 CYS 25 -4.168 2.832 2.952 148 HB3 CYS 25 HB3 CYS 25 -5.898 2.736 2.647 149 H GLN 26 H GLN 26 -4.449 4.214 -1.268 150 HA GLN 26 HA GLN 26 -7.244 4.170 -1.999 151 HB2 GLN 26 HB2 GLN 26 -4.736 4.678 -3.601 152 HB3 GLN 26 HB3 GLN 26 -6.374 4.799 -4.230 153 HG2 GLN 26 HG2 GLN 26 -5.289 6.442 -1.962 154 HG3 GLN 26 HG3 GLN 26 -5.378 6.968 -3.643 155 HE21 GLN 26 HE21 GLN 26 -6.660 7.956 -1.178 156 HE22 GLN 26 HE22 GLN 26 -8.334 7.982 -1.558 157 H VAL 27 H VAL 27 -8.118 2.296 -2.445 158 HA VAL 27 HA VAL 27 -6.479 0.039 -3.165 159 HB VAL 27 HB VAL 27 -9.514 0.216 -3.105 160 HG11 VAL 27 HG11 VAL 27 -9.422 -2.236 -2.914 161 HG12 VAL 27 HG12 VAL 27 -7.665 -2.164 -3.039 162 HG13 VAL 27 HG13 VAL 27 -8.660 -1.665 -4.400 163 HG21 VAL 27 HG21 VAL 27 -8.615 0.750 -0.899 164 HG22 VAL 27 HG22 VAL 27 -7.629 -0.713 -0.929 165 HG23 VAL 27 HG23 VAL 27 -9.388 -0.835 -0.882 166 H LEU 28 H LEU 28 -5.667 0.221 -5.095 167 HA LEU 28 HA LEU 28 -7.114 1.476 -7.265 168 HB2 LEU 28 HB2 LEU 28 -4.391 0.173 -7.204 169 HB3 LEU 28 HB3 LEU 28 -5.045 1.085 -8.548 170 HG LEU 28 HG LEU 28 -4.420 2.236 -5.817 171 HD11 LEU 28 HD11 LEU 28 -2.599 3.383 -6.967 172 HD12 LEU 28 HD12 LEU 28 -2.972 2.490 -8.442 173 HD13 LEU 28 HD13 LEU 28 -2.412 1.632 -6.999 174 HD21 LEU 28 HD21 LEU 28 -5.224 3.541 -8.386 175 HD22 LEU 28 HD22 LEU 28 -4.762 4.379 -6.900 176 HD23 LEU 28 HD23 LEU 28 -6.240 3.402 -6.947 177 H ASN 29 H ASN 29 -5.886 -1.638 -6.331 178 HA ASN 29 HA ASN 29 -7.634 -2.982 -8.224 179 HB2 ASN 29 HB2 ASN 29 -4.673 -3.600 -7.773 180 HB3 ASN 29 HB3 ASN 29 -5.806 -4.585 -8.683 181 HD21 ASN 29 HD21 ASN 29 -3.951 -1.667 -8.679 182 HD22 ASN 29 HD22 ASN 29 -4.120 -1.304 -10.354 183 HA PRO 30 HA PRO 30 -8.569 -5.397 -4.634 184 HB2 PRO 30 HB2 PRO 30 -7.731 -7.919 -5.958 185 HB3 PRO 30 HB3 PRO 30 -9.287 -7.490 -5.249 186 HG2 PRO 30 HG2 PRO 30 -8.953 -7.589 -7.896 187 HG3 PRO 30 HG3 PRO 30 -9.996 -6.370 -7.139 188 HD2 PRO 30 HD2 PRO 30 -7.248 -6.084 -8.267 189 HD3 PRO 30 HD3 PRO 30 -8.606 -4.950 -8.318 190 H TYR 31 H TYR 31 -5.487 -6.313 -6.159 191 HA TYR 31 HA TYR 31 -4.522 -7.055 -3.484 192 HB2 TYR 31 HB2 TYR 31 -3.270 -7.585 -6.192 193 HB3 TYR 31 HB3 TYR 31 -2.661 -8.168 -4.654 194 HD1 TYR 31 HD1 TYR 31 -5.756 -8.350 -6.776 195 HD2 TYR 31 HD2 TYR 31 -3.219 -10.344 -4.014 196 HE1 TYR 31 HE1 TYR 31 -7.059 -10.392 -7.074 197 HE2 TYR 31 HE2 TYR 31 -4.530 -12.404 -4.312 198 HH TYR 31 HH TYR 31 -6.629 -13.114 -5.038 199 H TYR 32 H TYR 32 -4.103 -4.765 -6.091 200 HA TYR 32 HA TYR 32 -1.833 -3.651 -4.665 201 HB2 TYR 32 HB2 TYR 32 -1.574 -3.931 -7.107 202 HB3 TYR 32 HB3 TYR 32 -2.864 -2.759 -7.352 203 HD1 TYR 32 HD1 TYR 32 -2.192 -0.567 -7.831 204 HD2 TYR 32 HD2 TYR 32 0.306 -3.025 -5.401 205 HE1 TYR 32 HE1 TYR 32 -0.540 1.231 -7.698 206 HE2 TYR 32 HE2 TYR 32 1.957 -1.218 -5.267 207 HH TYR 32 HH TYR 32 1.278 1.950 -6.353 208 H SER 33 H SER 33 -2.181 -2.270 -3.160 209 HA SER 33 HA SER 33 -4.169 -0.154 -3.578 210 HB2 SER 33 HB2 SER 33 -3.330 -1.409 -0.936 211 HB3 SER 33 HB3 SER 33 -4.554 -0.154 -1.157 212 HG SER 33 HG SER 33 -5.299 -2.387 -0.931 213 H GLN 34 H GLN 34 -3.389 1.946 -3.015 214 HA GLN 34 HA GLN 34 -0.565 2.091 -2.242 215 HB2 GLN 34 HB2 GLN 34 -0.445 2.162 -4.616 216 HB3 GLN 34 HB3 GLN 34 -1.798 3.275 -4.719 217 HG2 GLN 34 HG2 GLN 34 -0.466 5.046 -3.807 218 HG3 GLN 34 HG3 GLN 34 0.872 3.932 -3.520 219 HE21 GLN 34 HE21 GLN 34 2.184 3.368 -5.186 220 HE22 GLN 34 HE22 GLN 34 2.087 4.105 -6.746 221 H CYS 35 H CYS 35 -0.074 3.729 -0.903 222 HA CYS 35 HA CYS 35 -2.214 5.334 0.131 223 HB2 CYS 35 HB2 CYS 35 0.742 5.518 0.755 224 HB3 CYS 35 HB3 CYS 35 -0.586 6.237 1.658 225 H LEU 36 H LEU 36 -2.933 7.034 -0.875 226 HA LEU 36 HA LEU 36 -1.054 8.900 -2.112 227 HB2 LEU 36 HB2 LEU 36 -3.875 8.248 -2.977 228 HB3 LEU 36 HB3 LEU 36 -2.876 9.504 -3.675 229 HG LEU 36 HG LEU 36 -2.321 6.534 -3.821 230 HD11 LEU 36 HD11 LEU 36 -4.202 7.196 -5.221 231 HD12 LEU 36 HD12 LEU 36 -2.795 6.787 -6.195 232 HD13 LEU 36 HD13 LEU 36 -3.223 8.478 -5.935 233 HD21 LEU 36 HD21 LEU 36 -0.252 7.857 -3.771 234 HD22 LEU 36 HD22 LEU 36 -0.863 8.849 -5.099 235 HD23 LEU 36 HD23 LEU 36 -0.528 7.142 -5.357 236 H2 BGC 101 H2 BGC 101 8.479 3.547 0.510 237 H3 BGC 101 H3 BGC 101 6.199 1.568 0.749 238 H4 BGC 101 H4 BGC 101 9.049 1.605 1.810 239 H5 BGC 101 H5 BGC 101 6.340 1.860 3.295 240 H6C1 BGC 101 H61 BGC 101 9.261 1.980 4.107 241 H6C2 BGC 101 H62 BGC 101 8.035 0.854 4.718 242 H1 BGC 101 H1 BGC 101 5.701 3.636 1.715 243 HB BGC 101 HO2 BGC 101 7.315 3.196 -1.425 244 HC BGC 101 HO3 BGC 101 8.768 1.348 -0.512 245 HD BGC 101 HO4 BGC 101 8.133 -0.464 1.280 246 H6 BGC 101 HO6 BGC 101 7.772 3.690 4.989 Start of MODEL 10 1 H1 THR 1 H1 THR 1 4.667 1.898 9.038 2 H2 THR 1 H2 THR 1 4.655 3.058 10.318 3 H3 THR 1 H3 THR 1 5.666 3.251 8.990 4 HA THR 1 HA THR 1 2.775 3.302 8.818 5 HB THR 1 HB THR 1 4.722 5.610 8.776 6 HG1 THR 1 HG1 THR 1 3.411 5.635 11.053 7 HG21 THR 1 HG21 THR 1 2.473 5.938 7.821 8 HG22 THR 1 HG22 THR 1 2.702 6.892 9.288 9 HG23 THR 1 HG23 THR 1 1.753 5.402 9.339 10 H GLN 2 H GLN 2 2.164 3.201 6.711 11 HA GLN 2 HA GLN 2 4.191 2.599 4.796 12 HB2 GLN 2 HB2 GLN 2 1.997 1.384 4.987 13 HB3 GLN 2 HB3 GLN 2 1.214 2.824 4.389 14 HG2 GLN 2 HG2 GLN 2 1.512 1.067 2.671 15 HG3 GLN 2 HG3 GLN 2 2.243 2.608 2.253 16 HE21 GLN 2 HE21 GLN 2 2.721 -0.305 1.558 17 HE22 GLN 2 HE22 GLN 2 4.419 -0.508 1.666 18 H SER 3 H SER 3 5.179 3.933 3.641 19 HA SER 3 HA SER 3 4.637 6.660 3.569 20 HB2 SER 3 HB2 SER 3 6.588 6.841 2.158 21 HB3 SER 3 HB3 SER 3 6.909 5.729 3.473 22 H HIS 4 H HIS 4 4.692 7.899 1.480 23 HA HIS 4 HA HIS 4 2.279 7.533 0.104 24 HB2 HIS 4 HB2 HIS 4 3.636 9.677 0.560 25 HB3 HIS 4 HB3 HIS 4 4.610 9.219 -0.824 26 HD1 HIS 4 HD1 HIS 4 3.863 11.347 -2.064 27 HD2 HIS 4 HD2 HIS 4 0.753 8.830 -1.034 28 HE1 HIS 4 HE1 HIS 4 1.823 12.283 -3.213 29 HE2 HIS 4 HE2 HIS 4 -0.053 10.938 -2.223 30 H TYR 5 H TYR 5 1.810 6.501 -1.756 31 HA TYR 5 HA TYR 5 1.897 5.277 -3.533 32 HB2 TYR 5 HB2 TYR 5 4.795 6.091 -3.789 33 HB3 TYR 5 HB3 TYR 5 4.012 5.010 -4.917 34 HD1 TYR 5 HD1 TYR 5 2.454 5.776 -6.523 35 HD2 TYR 5 HD2 TYR 5 4.035 8.483 -3.671 36 HE1 TYR 5 HE1 TYR 5 1.529 7.640 -7.802 37 HE2 TYR 5 HE2 TYR 5 3.110 10.374 -4.957 38 HH TYR 5 HH TYR 5 2.415 10.842 -7.240 39 H GLY 6 H GLY 6 3.002 4.415 -0.745 40 HA2 GLY 6 HA2 GLY 6 4.172 1.882 -1.434 41 HA3 GLY 6 HA3 GLY 6 3.733 2.447 0.173 42 H GLN 7 H GLN 7 3.175 -0.134 -0.934 43 HA GLN 7 HA GLN 7 0.400 -0.174 -1.637 44 HB2 GLN 7 HB2 GLN 7 2.095 -1.933 -2.371 45 HB3 GLN 7 HB3 GLN 7 2.063 -2.536 -0.719 46 HG2 GLN 7 HG2 GLN 7 -0.339 -2.989 -0.932 47 HG3 GLN 7 HG3 GLN 7 -0.303 -2.386 -2.584 48 HE21 GLN 7 HE21 GLN 7 -1.139 -4.975 -1.745 49 HE22 GLN 7 HE22 GLN 7 -0.117 -6.128 -2.453 50 H CYS 8 H CYS 8 -1.089 0.247 -0.211 51 HA CYS 8 HA CYS 8 -0.477 0.149 2.619 52 HB2 CYS 8 HB2 CYS 8 -2.679 1.273 2.840 53 HB3 CYS 8 HB3 CYS 8 -1.494 2.117 1.843 54 H GLY 9 H GLY 9 -1.465 -2.240 0.764 55 HA2 GLY 9 HA2 GLY 9 -2.065 -4.212 2.213 56 HA3 GLY 9 HA3 GLY 9 -3.318 -3.175 2.866 57 H GLY 10 H GLY 10 -2.259 -4.949 0.122 58 HA2 GLY 10 HA2 GLY 10 -4.966 -4.855 -1.017 59 HA3 GLY 10 HA3 GLY 10 -3.518 -5.453 -1.827 60 H ILE 11 H ILE 11 -5.476 -7.173 -1.974 61 HA ILE 11 HA ILE 11 -5.753 -8.976 0.146 62 HB ILE 11 HB ILE 11 -5.779 -9.505 -2.848 63 HG12 ILE 11 HG12 ILE 11 -8.062 -9.083 -0.904 64 HG13 ILE 11 HG13 ILE 11 -7.483 -7.897 -2.068 65 HG21 ILE 11 HG21 ILE 11 -6.726 -11.280 -0.598 66 HG22 ILE 11 HG22 ILE 11 -5.376 -11.587 -1.687 67 HG23 ILE 11 HG23 ILE 11 -7.025 -11.566 -2.312 68 HD11 ILE 11 HD11 ILE 11 -8.162 -9.361 -3.896 69 HD12 ILE 11 HD12 ILE 11 -9.519 -9.007 -2.822 70 HD13 ILE 11 HD13 ILE 11 -8.705 -10.567 -2.730 71 H GLY 12 H GLY 12 -4.207 -10.074 1.167 72 HA2 GLY 12 HA2 GLY 12 -2.546 -11.774 1.154 73 HA3 GLY 12 HA3 GLY 12 -2.020 -11.197 -0.418 74 H TYR 13 H TYR 13 -2.300 -8.381 0.941 75 HA TYR 13 HA TYR 13 0.513 -8.350 1.699 76 HB2 TYR 13 HB2 TYR 13 -0.549 -6.707 0.056 77 HB3 TYR 13 HB3 TYR 13 -1.363 -6.005 1.446 78 HD1 TYR 13 HD1 TYR 13 1.815 -6.450 -0.280 79 HD2 TYR 13 HD2 TYR 13 -0.099 -4.662 3.067 80 HE1 TYR 13 HE1 TYR 13 3.771 -5.010 0.055 81 HE2 TYR 13 HE2 TYR 13 1.859 -3.216 3.408 82 HH TYR 13 HH TYR 13 4.202 -3.161 2.866 83 H SER 14 H SER 14 1.168 -8.124 3.776 84 HA SER 14 HA SER 14 -0.876 -7.500 5.778 85 HB2 SER 14 HB2 SER 14 0.178 -9.318 7.169 86 HB3 SER 14 HB3 SER 14 -0.700 -9.864 5.739 87 HG SER 14 HG SER 14 1.935 -10.038 6.368 88 H GLY 15 H GLY 15 1.948 -6.497 4.503 89 HA2 GLY 15 HA2 GLY 15 3.448 -5.987 6.905 90 HA3 GLY 15 HA3 GLY 15 3.817 -5.399 5.292 91 HA PRO 16 HA PRO 16 2.632 -1.534 7.400 92 HB2 PRO 16 HB2 PRO 16 3.460 0.055 5.274 93 HB3 PRO 16 HB3 PRO 16 4.479 -0.439 6.623 94 HG2 PRO 16 HG2 PRO 16 4.285 -1.570 3.879 95 HG3 PRO 16 HG3 PRO 16 5.708 -1.358 4.912 96 HD2 PRO 16 HD2 PRO 16 4.530 -3.741 4.551 97 HD3 PRO 16 HD3 PRO 16 5.304 -3.288 6.083 98 H THR 17 H THR 17 0.485 -1.333 7.405 99 HA THR 17 HA THR 17 -0.954 -1.043 4.853 100 HB THR 17 HB THR 17 -2.928 -1.761 6.351 101 HG1 THR 17 HG1 THR 17 -2.369 -2.053 8.363 102 HG21 THR 17 HG21 THR 17 -0.704 -3.727 5.735 103 HG22 THR 17 HG22 THR 17 -1.951 -3.203 4.602 104 HG23 THR 17 HG23 THR 17 -2.391 -4.151 6.022 105 H VAL 18 H VAL 18 -0.273 0.542 7.865 106 HA VAL 18 HA VAL 18 -2.450 2.422 7.429 107 HB VAL 18 HB VAL 18 -0.367 2.325 9.639 108 HG11 VAL 18 HG11 VAL 18 -2.834 4.039 9.376 109 HG12 VAL 18 HG12 VAL 18 -1.161 4.596 9.295 110 HG13 VAL 18 HG13 VAL 18 -1.803 3.946 10.804 111 HG21 VAL 18 HG21 VAL 18 -1.878 0.432 9.761 112 HG22 VAL 18 HG22 VAL 18 -3.268 1.504 9.623 113 HG23 VAL 18 HG23 VAL 18 -2.249 1.572 11.057 114 H CYS 19 H CYS 19 -2.129 4.065 6.127 115 HA CYS 19 HA CYS 19 0.433 4.684 5.072 116 HB2 CYS 19 HB2 CYS 19 -2.181 6.166 4.747 117 HB3 CYS 19 HB3 CYS 19 -0.743 6.320 3.742 118 H ALA 20 H ALA 20 1.366 6.790 5.040 119 HA ALA 20 HA ALA 20 1.710 7.921 7.612 120 HB1 ALA 20 HB1 ALA 20 2.552 9.029 4.935 121 HB2 ALA 20 HB2 ALA 20 3.480 7.893 5.912 122 HB3 ALA 20 HB3 ALA 20 3.169 9.524 6.512 123 H SER 21 H SER 21 1.315 10.102 8.270 124 HA SER 21 HA SER 21 -1.294 10.946 7.953 125 HB2 SER 21 HB2 SER 21 -0.296 13.061 9.068 126 HB3 SER 21 HB3 SER 21 -0.210 11.536 9.948 127 HG SER 21 HG SER 21 1.800 12.983 8.656 128 H GLY 22 H GLY 22 -2.191 11.811 6.247 129 HA2 GLY 22 HA2 GLY 22 -2.312 13.842 4.878 130 HA3 GLY 22 HA3 GLY 22 -0.596 13.609 4.547 131 H THR 23 H THR 23 -1.226 10.625 4.502 132 HA THR 23 HA THR 23 -2.125 10.649 1.713 133 HB THR 23 HB THR 23 -0.775 8.626 1.358 134 HG1 THR 23 HG1 THR 23 -0.455 8.829 4.140 135 HG21 THR 23 HG21 THR 23 0.778 10.861 2.661 136 HG22 THR 23 HG22 THR 23 0.287 10.784 0.970 137 HG23 THR 23 HG23 THR 23 1.459 9.627 1.603 138 H THR 24 H THR 24 -3.533 9.043 1.021 139 HA THR 24 HA THR 24 -4.909 7.609 3.175 140 HB THR 24 HB THR 24 -6.923 7.770 1.567 141 HG1 THR 24 HG1 THR 24 -5.070 9.338 0.221 142 HG21 THR 24 HG21 THR 24 -5.889 10.244 2.959 143 HG22 THR 24 HG22 THR 24 -6.831 8.953 3.701 144 HG23 THR 24 HG23 THR 24 -7.560 9.981 2.467 145 H CYS 25 H CYS 25 -5.384 5.472 2.854 146 HA CYS 25 HA CYS 25 -3.945 4.068 0.849 147 HB2 CYS 25 HB2 CYS 25 -4.320 2.979 3.004 148 HB3 CYS 25 HB3 CYS 25 -6.072 3.094 2.789 149 H GLN 26 H GLN 26 -4.529 4.177 -1.217 150 HA GLN 26 HA GLN 26 -7.366 4.227 -1.906 151 HB2 GLN 26 HB2 GLN 26 -4.903 4.812 -3.560 152 HB3 GLN 26 HB3 GLN 26 -6.557 4.927 -4.135 153 HG2 GLN 26 HG2 GLN 26 -5.349 6.589 -1.931 154 HG3 GLN 26 HG3 GLN 26 -5.597 7.109 -3.595 155 HE21 GLN 26 HE21 GLN 26 -6.643 8.197 -1.120 156 HE22 GLN 26 HE22 GLN 26 -8.354 8.187 -1.288 157 H VAL 27 H VAL 27 -8.191 2.308 -2.419 158 HA VAL 27 HA VAL 27 -6.505 0.104 -3.156 159 HB VAL 27 HB VAL 27 -9.537 0.326 -3.132 160 HG11 VAL 27 HG11 VAL 27 -7.770 -2.089 -3.451 161 HG12 VAL 27 HG12 VAL 27 -8.873 -1.422 -4.655 162 HG13 VAL 27 HG13 VAL 27 -9.511 -2.153 -3.180 163 HG21 VAL 27 HG21 VAL 27 -9.415 -0.981 -1.061 164 HG22 VAL 27 HG22 VAL 27 -8.566 0.559 -0.905 165 HG23 VAL 27 HG23 VAL 27 -7.655 -0.936 -1.141 166 H LEU 28 H LEU 28 -5.566 0.326 -5.060 167 HA LEU 28 HA LEU 28 -6.922 1.590 -7.279 168 HB2 LEU 28 HB2 LEU 28 -4.219 0.270 -7.154 169 HB3 LEU 28 HB3 LEU 28 -4.828 1.203 -8.496 170 HG LEU 28 HG LEU 28 -4.151 2.265 -5.750 171 HD11 LEU 28 HD11 LEU 28 -2.222 1.702 -7.056 172 HD12 LEU 28 HD12 LEU 28 -2.381 3.458 -6.947 173 HD13 LEU 28 HD13 LEU 28 -2.837 2.613 -8.429 174 HD21 LEU 28 HD21 LEU 28 -6.018 3.517 -6.706 175 HD22 LEU 28 HD22 LEU 28 -5.097 3.706 -8.209 176 HD23 LEU 28 HD23 LEU 28 -4.518 4.459 -6.723 177 H ASN 29 H ASN 29 -5.838 -1.599 -6.327 178 HA ASN 29 HA ASN 29 -7.487 -2.835 -8.390 179 HB2 ASN 29 HB2 ASN 29 -4.545 -3.473 -7.917 180 HB3 ASN 29 HB3 ASN 29 -5.633 -4.446 -8.890 181 HD21 ASN 29 HD21 ASN 29 -3.682 -1.625 -8.739 182 HD22 ASN 29 HD22 ASN 29 -3.839 -1.154 -10.380 183 HA PRO 30 HA PRO 30 -8.546 -5.739 -5.176 184 HB2 PRO 30 HB2 PRO 30 -7.218 -7.918 -6.740 185 HB3 PRO 30 HB3 PRO 30 -8.821 -7.891 -5.997 186 HG2 PRO 30 HG2 PRO 30 -8.610 -7.560 -8.597 187 HG3 PRO 30 HG3 PRO 30 -9.713 -6.523 -7.672 188 HD2 PRO 30 HD2 PRO 30 -7.010 -5.916 -8.773 189 HD3 PRO 30 HD3 PRO 30 -8.443 -4.878 -8.721 190 H TYR 31 H TYR 31 -5.279 -6.450 -6.478 191 HA TYR 31 HA TYR 31 -4.499 -7.094 -3.713 192 HB2 TYR 31 HB2 TYR 31 -2.892 -7.435 -6.244 193 HB3 TYR 31 HB3 TYR 31 -2.463 -8.031 -4.651 194 HD1 TYR 31 HD1 TYR 31 -3.662 -9.996 -3.727 195 HD2 TYR 31 HD2 TYR 31 -4.413 -8.572 -7.649 196 HE1 TYR 31 HE1 TYR 31 -4.720 -12.140 -4.295 197 HE2 TYR 31 HE2 TYR 31 -5.481 -10.702 -8.236 198 HH TYR 31 HH TYR 31 -5.338 -13.061 -7.453 199 H TYR 32 H TYR 32 -4.002 -4.705 -6.227 200 HA TYR 32 HA TYR 32 -1.861 -3.629 -4.607 201 HB2 TYR 32 HB2 TYR 32 -1.471 -3.852 -7.057 202 HB3 TYR 32 HB3 TYR 32 -2.690 -2.607 -7.315 203 HD1 TYR 32 HD1 TYR 32 -1.984 -0.389 -7.445 204 HD2 TYR 32 HD2 TYR 32 0.425 -3.212 -5.380 205 HE1 TYR 32 HE1 TYR 32 -0.279 1.353 -7.062 206 HE2 TYR 32 HE2 TYR 32 2.145 -1.504 -5.000 207 HH TYR 32 HH TYR 32 2.877 0.580 -5.997 208 H SER 33 H SER 33 -2.274 -2.282 -3.102 209 HA SER 33 HA SER 33 -4.283 -0.198 -3.553 210 HB2 SER 33 HB2 SER 33 -3.427 -1.442 -0.914 211 HB3 SER 33 HB3 SER 33 -4.676 -0.213 -1.123 212 HG SER 33 HG SER 33 -5.386 -2.456 -0.912 213 H GLN 34 H GLN 34 -3.500 1.920 -3.005 214 HA GLN 34 HA GLN 34 -0.651 2.035 -2.318 215 HB2 GLN 34 HB2 GLN 34 -0.724 2.065 -4.707 216 HB3 GLN 34 HB3 GLN 34 -2.008 3.259 -4.710 217 HG2 GLN 34 HG2 GLN 34 -0.492 4.932 -3.879 218 HG3 GLN 34 HG3 GLN 34 0.789 3.709 -3.752 219 HE21 GLN 34 HE21 GLN 34 1.890 3.103 -5.584 220 HE22 GLN 34 HE22 GLN 34 1.659 3.850 -7.108 221 H CYS 35 H CYS 35 -0.157 3.638 -0.929 222 HA CYS 35 HA CYS 35 -2.235 5.332 0.097 223 HB2 CYS 35 HB2 CYS 35 0.739 5.547 0.652 224 HB3 CYS 35 HB3 CYS 35 -0.578 6.262 1.562 225 H LEU 36 H LEU 36 -2.897 7.110 -0.832 226 HA LEU 36 HA LEU 36 -0.977 8.770 -2.259 227 HB2 LEU 36 HB2 LEU 36 -3.843 8.189 -2.984 228 HB3 LEU 36 HB3 LEU 36 -2.897 9.469 -3.712 229 HG LEU 36 HG LEU 36 -2.225 6.526 -3.880 230 HD11 LEU 36 HD11 LEU 36 -2.877 6.710 -6.212 231 HD12 LEU 36 HD12 LEU 36 -3.392 8.380 -5.950 232 HD13 LEU 36 HD13 LEU 36 -4.235 7.054 -5.145 233 HD21 LEU 36 HD21 LEU 36 -0.242 7.928 -3.982 234 HD22 LEU 36 HD22 LEU 36 -1.000 8.945 -5.205 235 HD23 LEU 36 HD23 LEU 36 -0.602 7.269 -5.579 236 H2 BGC 101 H2 BGC 101 8.295 2.909 0.717 237 H3 BGC 101 H3 BGC 101 6.057 0.961 1.384 238 H4 BGC 101 H4 BGC 101 8.954 1.197 2.211 239 H5 BGC 101 H5 BGC 101 6.313 1.502 3.754 240 H6C1 BGC 101 H61 BGC 101 9.207 1.918 4.608 241 H6C2 BGC 101 H62 BGC 101 8.148 0.602 5.159 242 H1 BGC 101 H1 BGC 101 5.605 3.229 2.090 243 HB BGC 101 HO2 BGC 101 6.645 3.846 -0.569 244 HC BGC 101 HO3 BGC 101 6.991 0.625 -0.607 245 HD BGC 101 HO4 BGC 101 8.059 -0.887 1.898 246 H6 BGC 101 HO6 BGC 101 7.649 3.409 5.555 Start of MODEL 11 1 H1 THR 1 H1 THR 1 5.194 2.926 10.119 2 H2 THR 1 H2 THR 1 6.174 3.484 8.861 3 H3 THR 1 H3 THR 1 5.497 1.927 8.779 4 HA THR 1 HA THR 1 3.309 2.888 8.675 5 HB THR 1 HB THR 1 4.740 5.553 8.548 6 HG1 THR 1 HG1 THR 1 3.693 5.668 10.774 7 HG21 THR 1 HG21 THR 1 2.507 6.427 9.000 8 HG22 THR 1 HG22 THR 1 1.869 4.789 9.103 9 HG23 THR 1 HG23 THR 1 2.477 5.404 7.565 10 H GLN 2 H GLN 2 2.494 3.020 6.561 11 HA GLN 2 HA GLN 2 4.427 2.648 4.483 12 HB2 GLN 2 HB2 GLN 2 2.298 1.347 4.568 13 HB3 GLN 2 HB3 GLN 2 1.408 2.835 4.353 14 HG2 GLN 2 HG2 GLN 2 1.573 1.538 2.276 15 HG3 GLN 2 HG3 GLN 2 2.310 3.127 2.124 16 HE21 GLN 2 HE21 GLN 2 2.856 -0.275 2.160 17 HE22 GLN 2 HE22 GLN 2 4.493 -0.200 1.623 18 H SER 3 H SER 3 5.230 4.155 3.236 19 HA SER 3 HA SER 3 4.429 6.862 3.563 20 HB2 SER 3 HB2 SER 3 6.393 7.408 2.327 21 HB3 SER 3 HB3 SER 3 6.822 6.077 3.390 22 H HIS 4 H HIS 4 4.396 8.222 1.495 23 HA HIS 4 HA HIS 4 2.096 7.657 0.019 24 HB2 HIS 4 HB2 HIS 4 3.206 9.917 0.544 25 HB3 HIS 4 HB3 HIS 4 4.310 9.559 -0.766 26 HD1 HIS 4 HD1 HIS 4 3.268 11.852 -1.696 27 HD2 HIS 4 HD2 HIS 4 0.718 8.603 -1.653 28 HE1 HIS 4 HE1 HIS 4 1.365 12.481 -3.189 29 HE2 HIS 4 HE2 HIS 4 -0.283 10.655 -2.879 30 H TYR 5 H TYR 5 1.789 6.597 -1.859 31 HA TYR 5 HA TYR 5 2.055 5.514 -3.741 32 HB2 TYR 5 HB2 TYR 5 4.916 6.470 -3.759 33 HB3 TYR 5 HB3 TYR 5 4.218 5.490 -5.036 34 HD1 TYR 5 HD1 TYR 5 4.648 8.825 -3.794 35 HD2 TYR 5 HD2 TYR 5 2.186 6.390 -6.255 36 HE1 TYR 5 HE1 TYR 5 3.763 10.837 -4.894 37 HE2 TYR 5 HE2 TYR 5 1.296 8.379 -7.359 38 HH TYR 5 HH TYR 5 2.719 11.425 -7.010 39 H GLY 6 H GLY 6 3.138 4.572 -0.939 40 HA2 GLY 6 HA2 GLY 6 4.425 2.117 -1.753 41 HA3 GLY 6 HA3 GLY 6 3.981 2.606 -0.121 42 H GLN 7 H GLN 7 3.498 0.026 -0.996 43 HA GLN 7 HA GLN 7 0.737 -0.115 -1.839 44 HB2 GLN 7 HB2 GLN 7 2.525 -1.751 -2.598 45 HB3 GLN 7 HB3 GLN 7 2.523 -2.390 -0.961 46 HG2 GLN 7 HG2 GLN 7 0.163 -2.996 -1.202 47 HG3 GLN 7 HG3 GLN 7 0.163 -2.353 -2.838 48 HE21 GLN 7 HE21 GLN 7 -0.453 -5.077 -2.126 49 HE22 GLN 7 HE22 GLN 7 0.735 -6.052 -2.889 50 H CYS 8 H CYS 8 -0.737 0.300 -0.375 51 HA CYS 8 HA CYS 8 -0.128 0.087 2.458 52 HB2 CYS 8 HB2 CYS 8 -2.299 1.204 2.789 53 HB3 CYS 8 HB3 CYS 8 -1.185 2.096 1.762 54 H GLY 9 H GLY 9 -1.030 -2.199 0.515 55 HA2 GLY 9 HA2 GLY 9 -1.584 -4.293 1.689 56 HA3 GLY 9 HA3 GLY 9 -2.717 -3.347 2.634 57 H GLY 10 H GLY 10 -2.152 -5.075 -0.193 58 HA2 GLY 10 HA2 GLY 10 -4.904 -4.643 -1.069 59 HA3 GLY 10 HA3 GLY 10 -3.637 -5.484 -1.969 60 H ILE 11 H ILE 11 -5.608 -7.047 -1.953 61 HA ILE 11 HA ILE 11 -6.261 -8.529 0.297 62 HB ILE 11 HB ILE 11 -6.023 -9.476 -2.577 63 HG12 ILE 11 HG12 ILE 11 -8.447 -8.537 -1.026 64 HG13 ILE 11 HG13 ILE 11 -7.568 -7.561 -2.195 65 HG21 ILE 11 HG21 ILE 11 -6.032 -11.362 -1.068 66 HG22 ILE 11 HG22 ILE 11 -7.571 -11.262 -1.926 67 HG23 ILE 11 HG23 ILE 11 -7.462 -10.736 -0.242 68 HD11 ILE 11 HD11 ILE 11 -8.163 -9.148 -3.957 69 HD12 ILE 11 HD12 ILE 11 -9.590 -8.485 -3.159 70 HD13 ILE 11 HD13 ILE 11 -9.043 -10.119 -2.776 71 H GLY 12 H GLY 12 -5.009 -9.642 1.637 72 HA2 GLY 12 HA2 GLY 12 -3.610 -11.445 2.175 73 HA3 GLY 12 HA3 GLY 12 -2.933 -11.375 0.554 74 H TYR 13 H TYR 13 -2.598 -8.380 0.959 75 HA TYR 13 HA TYR 13 0.098 -8.644 2.003 76 HB2 TYR 13 HB2 TYR 13 -0.452 -7.326 -0.089 77 HB3 TYR 13 HB3 TYR 13 -1.253 -6.152 0.941 78 HD1 TYR 13 HD1 TYR 13 0.136 -4.722 2.502 79 HD2 TYR 13 HD2 TYR 13 1.920 -7.410 -0.284 80 HE1 TYR 13 HE1 TYR 13 2.266 -3.548 2.750 81 HE2 TYR 13 HE2 TYR 13 4.067 -6.246 -0.027 82 HH TYR 13 HH TYR 13 4.699 -4.044 2.440 83 H SER 14 H SER 14 0.427 -8.472 4.085 84 HA SER 14 HA SER 14 -1.405 -6.844 5.697 85 HB2 SER 14 HB2 SER 14 0.066 -9.288 6.452 86 HB3 SER 14 HB3 SER 14 -1.200 -8.502 7.405 87 HG SER 14 HG SER 14 -1.462 -9.807 4.884 88 H GLY 15 H GLY 15 1.336 -6.369 4.419 89 HA2 GLY 15 HA2 GLY 15 3.114 -6.025 6.657 90 HA3 GLY 15 HA3 GLY 15 3.411 -5.513 5.005 91 HA PRO 16 HA PRO 16 2.799 -1.472 7.020 92 HB2 PRO 16 HB2 PRO 16 3.638 -0.064 4.758 93 HB3 PRO 16 HB3 PRO 16 4.699 -0.580 6.063 94 HG2 PRO 16 HG2 PRO 16 4.234 -1.799 3.395 95 HG3 PRO 16 HG3 PRO 16 5.721 -1.719 4.350 96 HD2 PRO 16 HD2 PRO 16 4.218 -3.949 4.118 97 HD3 PRO 16 HD3 PRO 16 5.182 -3.594 5.561 98 H THR 17 H THR 17 0.672 -1.278 7.119 99 HA THR 17 HA THR 17 -0.858 -1.087 4.630 100 HB THR 17 HB THR 17 -2.753 -1.966 6.210 101 HG1 THR 17 HG1 THR 17 -0.416 -2.975 7.484 102 HG21 THR 17 HG21 THR 17 -2.152 -4.269 5.649 103 HG22 THR 17 HG22 THR 17 -0.481 -3.782 5.374 104 HG23 THR 17 HG23 THR 17 -1.749 -3.203 4.298 105 H VAL 18 H VAL 18 -0.036 0.547 7.488 106 HA VAL 18 HA VAL 18 -2.354 2.306 7.290 107 HB VAL 18 HB VAL 18 -0.146 2.286 9.370 108 HG11 VAL 18 HG11 VAL 18 -1.650 3.721 10.676 109 HG12 VAL 18 HG12 VAL 18 -2.782 3.738 9.324 110 HG13 VAL 18 HG13 VAL 18 -1.184 4.463 9.143 111 HG21 VAL 18 HG21 VAL 18 -2.952 1.181 9.567 112 HG22 VAL 18 HG22 VAL 18 -1.793 1.282 10.894 113 HG23 VAL 18 HG23 VAL 18 -1.465 0.235 9.515 114 H CYS 19 H CYS 19 -2.135 4.163 6.237 115 HA CYS 19 HA CYS 19 0.409 4.779 5.059 116 HB2 CYS 19 HB2 CYS 19 -2.231 6.228 4.803 117 HB3 CYS 19 HB3 CYS 19 -0.803 6.418 3.778 118 H ALA 20 H ALA 20 1.471 6.739 5.207 119 HA ALA 20 HA ALA 20 1.745 7.907 7.732 120 HB1 ALA 20 HB1 ALA 20 2.486 9.062 5.040 121 HB2 ALA 20 HB2 ALA 20 3.486 7.975 5.998 122 HB3 ALA 20 HB3 ALA 20 3.115 9.589 6.598 123 H SER 21 H SER 21 1.065 9.862 8.567 124 HA SER 21 HA SER 21 -1.559 10.597 8.137 125 HB2 SER 21 HB2 SER 21 0.691 12.189 9.384 126 HB3 SER 21 HB3 SER 21 -1.038 12.457 9.640 127 HG SER 21 HG SER 21 -1.156 10.328 10.442 128 H GLY 22 H GLY 22 -2.425 11.569 6.451 129 HA2 GLY 22 HA2 GLY 22 -2.481 13.720 5.201 130 HA3 GLY 22 HA3 GLY 22 -0.763 13.457 4.928 131 H THR 23 H THR 23 -1.252 10.536 4.652 132 HA THR 23 HA THR 23 -2.275 10.680 1.920 133 HB THR 23 HB THR 23 -0.911 8.643 1.436 134 HG1 THR 23 HG1 THR 23 -0.313 8.903 4.173 135 HG21 THR 23 HG21 THR 23 -0.009 10.851 0.925 136 HG22 THR 23 HG22 THR 23 1.270 9.748 1.437 137 HG23 THR 23 HG23 THR 23 0.656 10.966 2.556 138 H THR 24 H THR 24 -3.553 8.931 1.181 139 HA THR 24 HA THR 24 -4.774 7.393 3.353 140 HB THR 24 HB THR 24 -6.948 7.673 1.887 141 HG1 THR 24 HG1 THR 24 -5.397 9.207 0.441 142 HG21 THR 24 HG21 THR 24 -5.875 9.852 3.683 143 HG22 THR 24 HG22 THR 24 -6.744 8.408 4.207 144 HG23 THR 24 HG23 THR 24 -7.570 9.638 3.249 145 H CYS 25 H CYS 25 -5.259 5.291 2.977 146 HA CYS 25 HA CYS 25 -3.917 3.991 0.862 147 HB2 CYS 25 HB2 CYS 25 -4.266 2.954 3.089 148 HB3 CYS 25 HB3 CYS 25 -5.994 2.900 2.780 149 H GLN 26 H GLN 26 -4.566 3.876 -1.168 150 HA GLN 26 HA GLN 26 -7.432 3.951 -1.774 151 HB2 GLN 26 HB2 GLN 26 -5.080 4.491 -3.574 152 HB3 GLN 26 HB3 GLN 26 -6.772 4.705 -3.964 153 HG2 GLN 26 HG2 GLN 26 -5.160 6.297 -1.992 154 HG3 GLN 26 HG3 GLN 26 -5.708 6.814 -3.586 155 HE21 GLN 26 HE21 GLN 26 -6.140 8.037 -1.085 156 HE22 GLN 26 HE22 GLN 26 -7.845 8.127 -0.815 157 H VAL 27 H VAL 27 -8.238 2.147 -2.604 158 HA VAL 27 HA VAL 27 -6.525 -0.079 -3.251 159 HB VAL 27 HB VAL 27 -9.537 0.228 -3.523 160 HG11 VAL 27 HG11 VAL 27 -9.585 -2.240 -3.637 161 HG12 VAL 27 HG12 VAL 27 -7.818 -2.243 -3.670 162 HG13 VAL 27 HG13 VAL 27 -8.723 -1.510 -4.991 163 HG21 VAL 27 HG21 VAL 27 -9.682 -1.109 -1.474 164 HG22 VAL 27 HG22 VAL 27 -8.822 0.407 -1.201 165 HG23 VAL 27 HG23 VAL 27 -7.924 -1.102 -1.347 166 H LEU 28 H LEU 28 -5.452 0.174 -5.105 167 HA LEU 28 HA LEU 28 -6.685 1.528 -7.358 168 HB2 LEU 28 HB2 LEU 28 -3.956 0.284 -7.051 169 HB3 LEU 28 HB3 LEU 28 -4.497 1.161 -8.464 170 HG LEU 28 HG LEU 28 -4.126 2.343 -5.705 171 HD11 LEU 28 HD11 LEU 28 -2.273 3.539 -6.749 172 HD12 LEU 28 HD12 LEU 28 -2.531 2.628 -8.240 173 HD13 LEU 28 HD13 LEU 28 -2.041 1.795 -6.760 174 HD21 LEU 28 HD21 LEU 28 -5.907 3.464 -6.933 175 HD22 LEU 28 HD22 LEU 28 -4.819 3.615 -8.326 176 HD23 LEU 28 HD23 LEU 28 -4.454 4.472 -6.829 177 H ASN 29 H ASN 29 -5.607 -1.645 -6.392 178 HA ASN 29 HA ASN 29 -7.281 -2.853 -8.410 179 HB2 ASN 29 HB2 ASN 29 -4.328 -3.556 -8.039 180 HB3 ASN 29 HB3 ASN 29 -5.468 -4.465 -9.014 181 HD21 ASN 29 HD21 ASN 29 -3.431 -1.708 -8.844 182 HD22 ASN 29 HD22 ASN 29 -3.642 -1.176 -10.467 183 HA PRO 30 HA PRO 30 -8.365 -5.615 -5.123 184 HB2 PRO 30 HB2 PRO 30 -7.121 -7.899 -6.589 185 HB3 PRO 30 HB3 PRO 30 -8.727 -7.783 -5.857 186 HG2 PRO 30 HG2 PRO 30 -8.473 -7.561 -8.472 187 HG3 PRO 30 HG3 PRO 30 -9.562 -6.467 -7.593 188 HD2 PRO 30 HD2 PRO 30 -6.851 -5.952 -8.716 189 HD3 PRO 30 HD3 PRO 30 -8.264 -4.879 -8.670 190 H TYR 31 H TYR 31 -5.094 -6.480 -6.330 191 HA TYR 31 HA TYR 31 -4.400 -7.098 -3.554 192 HB2 TYR 31 HB2 TYR 31 -2.888 -7.744 -6.108 193 HB3 TYR 31 HB3 TYR 31 -2.389 -8.197 -4.486 194 HD1 TYR 31 HD1 TYR 31 -4.764 -8.896 -7.209 195 HD2 TYR 31 HD2 TYR 31 -3.484 -10.012 -3.310 196 HE1 TYR 31 HE1 TYR 31 -6.028 -10.999 -7.398 197 HE2 TYR 31 HE2 TYR 31 -4.750 -12.111 -3.488 198 HH TYR 31 HH TYR 31 -6.674 -12.988 -4.724 199 H TYR 32 H TYR 32 -3.764 -4.855 -6.132 200 HA TYR 32 HA TYR 32 -1.602 -3.708 -4.567 201 HB2 TYR 32 HB2 TYR 32 -1.283 -3.974 -7.030 202 HB3 TYR 32 HB3 TYR 32 -2.543 -2.764 -7.274 203 HD1 TYR 32 HD1 TYR 32 -1.878 -0.514 -7.498 204 HD2 TYR 32 HD2 TYR 32 0.622 -3.237 -5.390 205 HE1 TYR 32 HE1 TYR 32 -0.188 1.250 -7.228 206 HE2 TYR 32 HE2 TYR 32 2.312 -1.493 -5.114 207 HH TYR 32 HH TYR 32 2.991 0.491 -6.065 208 H SER 33 H SER 33 -2.081 -2.321 -3.055 209 HA SER 33 HA SER 33 -4.104 -0.287 -3.616 210 HB2 SER 33 HB2 SER 33 -3.314 -1.446 -0.927 211 HB3 SER 33 HB3 SER 33 -4.596 -0.278 -1.225 212 HG SER 33 HG SER 33 -5.115 -2.607 -0.970 213 H GLN 34 H GLN 34 -3.396 1.841 -2.925 214 HA GLN 34 HA GLN 34 -0.577 1.990 -2.168 215 HB2 GLN 34 HB2 GLN 34 -0.504 2.076 -4.550 216 HB3 GLN 34 HB3 GLN 34 -1.831 3.227 -4.604 217 HG2 GLN 34 HG2 GLN 34 -0.422 4.928 -3.612 218 HG3 GLN 34 HG3 GLN 34 0.893 3.765 -3.479 219 HE21 GLN 34 HE21 GLN 34 2.092 3.275 -5.256 220 HE22 GLN 34 HE22 GLN 34 1.923 4.095 -6.762 221 H CYS 35 H CYS 35 -0.068 3.700 -0.904 222 HA CYS 35 HA CYS 35 -2.237 5.248 0.163 223 HB2 CYS 35 HB2 CYS 35 0.732 5.621 0.714 224 HB3 CYS 35 HB3 CYS 35 -0.605 6.328 1.586 225 H LEU 36 H LEU 36 -3.051 6.901 -0.734 226 HA LEU 36 HA LEU 36 -1.430 8.924 -2.022 227 HB2 LEU 36 HB2 LEU 36 -4.016 7.749 -3.082 228 HB3 LEU 36 HB3 LEU 36 -3.234 9.169 -3.728 229 HG LEU 36 HG LEU 36 -2.076 6.381 -3.811 230 HD11 LEU 36 HD11 LEU 36 -2.603 6.474 -6.204 231 HD12 LEU 36 HD12 LEU 36 -3.404 8.026 -5.955 232 HD13 LEU 36 HD13 LEU 36 -4.060 6.570 -5.214 233 HD21 LEU 36 HD21 LEU 36 -1.201 8.942 -5.145 234 HD22 LEU 36 HD22 LEU 36 -0.464 7.353 -5.356 235 HD23 LEU 36 HD23 LEU 36 -0.384 8.156 -3.793 236 H2 BGC 101 H2 BGC 101 8.213 3.913 0.075 237 H3 BGC 101 H3 BGC 101 5.922 1.917 0.282 238 H4 BGC 101 H4 BGC 101 8.828 1.860 1.126 239 H5 BGC 101 H5 BGC 101 6.210 1.937 2.740 240 H6C1 BGC 101 H61 BGC 101 9.137 1.943 3.565 241 H6C2 BGC 101 H62 BGC 101 7.923 0.702 3.964 242 H1 BGC 101 H1 BGC 101 5.545 3.944 1.499 243 HB BGC 101 HO2 BGC 101 6.567 5.177 -0.885 244 HC BGC 101 HO3 BGC 101 6.919 2.008 -1.793 245 HD BGC 101 HO4 BGC 101 7.848 -0.119 0.407 246 H6 BGC 101 HO6 BGC 101 7.574 3.431 4.674 Start of MODEL 12 1 H1 THR 1 H1 THR 1 4.029 1.246 9.008 2 H2 THR 1 H2 THR 1 4.148 2.403 10.291 3 H3 THR 1 H3 THR 1 5.305 2.345 9.068 4 HA THR 1 HA THR 1 2.516 3.032 8.626 5 HB THR 1 HB THR 1 4.929 4.849 8.755 6 HG1 THR 1 HG1 THR 1 3.439 5.247 10.880 7 HG21 THR 1 HG21 THR 1 3.197 6.581 9.042 8 HG22 THR 1 HG22 THR 1 1.941 5.343 8.970 9 HG23 THR 1 HG23 THR 1 2.931 5.678 7.551 10 H GLN 2 H GLN 2 2.098 3.217 6.462 11 HA GLN 2 HA GLN 2 4.173 2.316 4.652 12 HB2 GLN 2 HB2 GLN 2 1.864 1.352 4.608 13 HB3 GLN 2 HB3 GLN 2 1.268 2.922 4.098 14 HG2 GLN 2 HG2 GLN 2 1.495 1.448 2.200 15 HG3 GLN 2 HG3 GLN 2 2.633 2.788 2.083 16 HE21 GLN 2 HE21 GLN 2 2.272 -0.575 2.679 17 HE22 GLN 2 HE22 GLN 2 3.893 -1.044 2.431 18 H SER 3 H SER 3 5.354 3.684 3.508 19 HA SER 3 HA SER 3 4.961 6.429 3.557 20 HB2 SER 3 HB2 SER 3 6.878 6.549 2.039 21 HB3 SER 3 HB3 SER 3 7.197 5.431 3.355 22 H HIS 4 H HIS 4 4.788 7.832 1.713 23 HA HIS 4 HA HIS 4 2.424 7.485 0.253 24 HB2 HIS 4 HB2 HIS 4 3.594 9.657 0.866 25 HB3 HIS 4 HB3 HIS 4 4.735 9.316 -0.421 26 HD1 HIS 4 HD1 HIS 4 4.044 11.512 -1.646 27 HD2 HIS 4 HD2 HIS 4 0.937 8.809 -1.132 28 HE1 HIS 4 HE1 HIS 4 2.116 12.423 -2.952 29 HE2 HIS 4 HE2 HIS 4 0.220 10.922 -2.434 30 H TYR 5 H TYR 5 2.011 6.516 -1.659 31 HA TYR 5 HA TYR 5 2.179 5.454 -3.577 32 HB2 TYR 5 HB2 TYR 5 5.104 6.218 -3.618 33 HB3 TYR 5 HB3 TYR 5 4.318 5.304 -4.897 34 HD1 TYR 5 HD1 TYR 5 4.980 8.564 -3.549 35 HD2 TYR 5 HD2 TYR 5 2.440 6.397 -6.171 36 HE1 TYR 5 HE1 TYR 5 4.318 10.662 -4.634 37 HE2 TYR 5 HE2 TYR 5 1.770 8.492 -7.266 38 HH TYR 5 HH TYR 5 3.433 11.354 -6.851 39 H GLY 6 H GLY 6 3.170 4.416 -0.787 40 HA2 GLY 6 HA2 GLY 6 4.322 1.908 -1.626 41 HA3 GLY 6 HA3 GLY 6 3.901 2.392 0.015 42 H GLN 7 H GLN 7 3.258 -0.126 -1.034 43 HA GLN 7 HA GLN 7 0.523 -0.106 -1.899 44 HB2 GLN 7 HB2 GLN 7 2.272 -1.818 -2.600 45 HB3 GLN 7 HB3 GLN 7 2.175 -2.466 -0.970 46 HG2 GLN 7 HG2 GLN 7 -0.214 -2.946 -1.340 47 HG3 GLN 7 HG3 GLN 7 -0.054 -2.349 -2.986 48 HE21 GLN 7 HE21 GLN 7 -0.833 -5.031 -2.221 49 HE22 GLN 7 HE22 GLN 7 0.361 -6.082 -2.854 50 H CYS 8 H CYS 8 -0.970 0.370 -0.457 51 HA CYS 8 HA CYS 8 -0.370 0.251 2.364 52 HB2 CYS 8 HB2 CYS 8 -2.535 1.384 2.659 53 HB3 CYS 8 HB3 CYS 8 -1.422 2.211 1.577 54 H GLY 9 H GLY 9 -1.246 -2.197 0.633 55 HA2 GLY 9 HA2 GLY 9 -1.825 -4.171 2.021 56 HA3 GLY 9 HA3 GLY 9 -2.995 -3.129 2.801 57 H GLY 10 H GLY 10 -2.250 -4.874 -0.063 58 HA2 GLY 10 HA2 GLY 10 -5.072 -4.757 -0.864 59 HA3 GLY 10 HA3 GLY 10 -3.738 -5.387 -1.835 60 H ILE 11 H ILE 11 -5.571 -7.181 -1.788 61 HA ILE 11 HA ILE 11 -5.694 -8.897 0.417 62 HB ILE 11 HB ILE 11 -5.808 -9.593 -2.540 63 HG12 ILE 11 HG12 ILE 11 -8.040 -9.087 -0.555 64 HG13 ILE 11 HG13 ILE 11 -7.530 -7.982 -1.826 65 HG21 ILE 11 HG21 ILE 11 -6.958 -11.655 -1.877 66 HG22 ILE 11 HG22 ILE 11 -6.715 -11.247 -0.184 67 HG23 ILE 11 HG23 ILE 11 -5.322 -11.585 -1.215 68 HD11 ILE 11 HD11 ILE 11 -9.562 -9.188 -2.425 69 HD12 ILE 11 HD12 ILE 11 -8.708 -10.722 -2.248 70 HD13 ILE 11 HD13 ILE 11 -8.233 -9.590 -3.514 71 H GLY 12 H GLY 12 -3.978 -9.788 1.439 72 HA2 GLY 12 HA2 GLY 12 -2.345 -11.511 1.430 73 HA3 GLY 12 HA3 GLY 12 -1.940 -11.079 -0.222 74 H TYR 13 H TYR 13 -2.148 -8.162 1.087 75 HA TYR 13 HA TYR 13 0.718 -8.187 1.736 76 HB2 TYR 13 HB2 TYR 13 -0.111 -6.632 -0.067 77 HB3 TYR 13 HB3 TYR 13 -1.053 -5.793 1.151 78 HD1 TYR 13 HD1 TYR 13 0.194 -4.505 2.971 79 HD2 TYR 13 HD2 TYR 13 2.183 -6.191 -0.392 80 HE1 TYR 13 HE1 TYR 13 2.109 -3.025 3.367 81 HE2 TYR 13 HE2 TYR 13 4.109 -4.720 -0.000 82 HH TYR 13 HH TYR 13 4.547 -2.591 1.036 83 H SER 14 H SER 14 1.052 -8.467 3.812 84 HA SER 14 HA SER 14 -0.861 -7.351 5.721 85 HB2 SER 14 HB2 SER 14 0.997 -9.634 5.978 86 HB3 SER 14 HB3 SER 14 -0.200 -9.161 7.188 87 HG SER 14 HG SER 14 -1.715 -9.410 5.288 88 H GLY 15 H GLY 15 1.739 -6.306 4.447 89 HA2 GLY 15 HA2 GLY 15 3.447 -5.862 6.732 90 HA3 GLY 15 HA3 GLY 15 3.645 -5.174 5.125 91 HA PRO 16 HA PRO 16 2.303 -1.616 7.610 92 HB2 PRO 16 HB2 PRO 16 3.295 0.236 5.795 93 HB3 PRO 16 HB3 PRO 16 4.163 -0.384 7.196 94 HG2 PRO 16 HG2 PRO 16 4.459 -1.068 4.341 95 HG3 PRO 16 HG3 PRO 16 5.647 -1.156 5.646 96 HD2 PRO 16 HD2 PRO 16 4.324 -3.312 4.523 97 HD3 PRO 16 HD3 PRO 16 5.119 -3.318 6.108 98 H THR 17 H THR 17 0.163 -1.465 7.411 99 HA THR 17 HA THR 17 -0.962 -0.931 4.769 100 HB THR 17 HB THR 17 -3.129 -1.653 5.846 101 HG1 THR 17 HG1 THR 17 -2.883 -2.823 7.813 102 HG21 THR 17 HG21 THR 17 -0.860 -3.654 5.928 103 HG22 THR 17 HG22 THR 17 -1.759 -3.198 4.486 104 HG23 THR 17 HG23 THR 17 -2.574 -4.046 5.803 105 H VAL 18 H VAL 18 -0.405 0.538 7.816 106 HA VAL 18 HA VAL 18 -2.486 2.516 7.411 107 HB VAL 18 HB VAL 18 -0.382 2.263 9.593 108 HG11 VAL 18 HG11 VAL 18 -0.950 4.604 9.274 109 HG12 VAL 18 HG12 VAL 18 -1.657 4.013 10.781 110 HG13 VAL 18 HG13 VAL 18 -2.669 4.214 9.350 111 HG21 VAL 18 HG21 VAL 18 -2.103 0.535 9.684 112 HG22 VAL 18 HG22 VAL 18 -3.357 1.771 9.643 113 HG23 VAL 18 HG23 VAL 18 -2.273 1.662 11.029 114 H CYS 19 H CYS 19 -2.127 4.092 6.068 115 HA CYS 19 HA CYS 19 0.452 4.707 5.040 116 HB2 CYS 19 HB2 CYS 19 -2.151 6.193 4.710 117 HB3 CYS 19 HB3 CYS 19 -0.708 6.364 3.716 118 H ALA 20 H ALA 20 1.429 6.815 5.047 119 HA ALA 20 HA ALA 20 1.776 7.967 7.576 120 HB1 ALA 20 HB1 ALA 20 2.373 9.132 4.851 121 HB2 ALA 20 HB2 ALA 20 3.452 8.100 5.788 122 HB3 ALA 20 HB3 ALA 20 3.037 9.707 6.377 123 H SER 21 H SER 21 1.142 10.048 8.344 124 HA SER 21 HA SER 21 -1.577 10.606 8.005 125 HB2 SER 21 HB2 SER 21 0.587 12.337 9.203 126 HB3 SER 21 HB3 SER 21 -1.143 12.457 9.523 127 HG SER 21 HG SER 21 -0.792 10.068 10.057 128 H GLY 22 H GLY 22 -2.501 11.562 6.354 129 HA2 GLY 22 HA2 GLY 22 -2.760 13.622 5.083 130 HA3 GLY 22 HA3 GLY 22 -1.008 13.635 4.890 131 H THR 23 H THR 23 -1.339 10.560 4.604 132 HA THR 23 HA THR 23 -2.061 10.701 1.775 133 HB THR 23 HB THR 23 -0.656 8.714 1.394 134 HG1 THR 23 HG1 THR 23 -0.375 8.832 4.198 135 HG21 THR 23 HG21 THR 23 0.381 10.898 1.134 136 HG22 THR 23 HG22 THR 23 1.557 9.743 1.765 137 HG23 THR 23 HG23 THR 23 0.811 10.922 2.842 138 H THR 24 H THR 24 -3.412 9.098 0.944 139 HA THR 24 HA THR 24 -4.845 7.648 3.037 140 HB THR 24 HB THR 24 -6.865 7.866 1.456 141 HG1 THR 24 HG1 THR 24 -5.014 9.456 0.119 142 HG21 THR 24 HG21 THR 24 -6.700 8.986 3.625 143 HG22 THR 24 HG22 THR 24 -7.470 10.035 2.436 144 HG23 THR 24 HG23 THR 24 -5.784 10.301 2.887 145 H CYS 25 H CYS 25 -5.224 5.555 2.785 146 HA CYS 25 HA CYS 25 -3.901 4.097 0.765 147 HB2 CYS 25 HB2 CYS 25 -4.285 3.101 2.969 148 HB3 CYS 25 HB3 CYS 25 -6.031 3.192 2.732 149 H GLN 26 H GLN 26 -4.505 4.199 -1.266 150 HA GLN 26 HA GLN 26 -7.343 4.220 -1.894 151 HB2 GLN 26 HB2 GLN 26 -4.935 4.892 -3.589 152 HB3 GLN 26 HB3 GLN 26 -6.604 4.985 -4.124 153 HG2 GLN 26 HG2 GLN 26 -5.364 6.613 -1.919 154 HG3 GLN 26 HG3 GLN 26 -5.718 7.186 -3.547 155 HE21 GLN 26 HE21 GLN 26 -6.684 8.161 -0.984 156 HE22 GLN 26 HE22 GLN 26 -8.406 8.070 -1.093 157 H VAL 27 H VAL 27 -8.141 2.281 -2.375 158 HA VAL 27 HA VAL 27 -6.388 0.128 -3.161 159 HB VAL 27 HB VAL 27 -9.418 0.142 -2.892 160 HG11 VAL 27 HG11 VAL 27 -9.227 -2.297 -2.854 161 HG12 VAL 27 HG12 VAL 27 -7.484 -2.166 -3.098 162 HG13 VAL 27 HG13 VAL 27 -8.586 -1.638 -4.362 163 HG21 VAL 27 HG21 VAL 27 -7.286 -0.803 -0.981 164 HG22 VAL 27 HG22 VAL 27 -9.019 -1.032 -0.774 165 HG23 VAL 27 HG23 VAL 27 -8.339 0.601 -0.762 166 H LEU 28 H LEU 28 -5.739 0.067 -5.142 167 HA LEU 28 HA LEU 28 -7.295 1.308 -7.279 168 HB2 LEU 28 HB2 LEU 28 -4.497 0.170 -7.232 169 HB3 LEU 28 HB3 LEU 28 -5.234 0.933 -8.625 170 HG LEU 28 HG LEU 28 -4.707 2.351 -6.001 171 HD11 LEU 28 HD11 LEU 28 -2.625 1.705 -7.080 172 HD12 LEU 28 HD12 LEU 28 -2.879 3.449 -7.191 173 HD13 LEU 28 HD13 LEU 28 -3.171 2.421 -8.597 174 HD21 LEU 28 HD21 LEU 28 -5.107 4.351 -7.322 175 HD22 LEU 28 HD22 LEU 28 -6.529 3.291 -7.319 176 HD23 LEU 28 HD23 LEU 28 -5.448 3.336 -8.724 177 H ASN 29 H ASN 29 -5.657 -1.729 -6.599 178 HA ASN 29 HA ASN 29 -7.445 -3.112 -8.494 179 HB2 ASN 29 HB2 ASN 29 -4.579 -3.813 -7.712 180 HB3 ASN 29 HB3 ASN 29 -5.629 -4.825 -8.662 181 HD21 ASN 29 HD21 ASN 29 -5.343 -1.354 -9.138 182 HD22 ASN 29 HD22 ASN 29 -4.546 -1.457 -10.670 183 HA PRO 30 HA PRO 30 -8.686 -5.650 -5.008 184 HB2 PRO 30 HB2 PRO 30 -7.480 -8.025 -6.371 185 HB3 PRO 30 HB3 PRO 30 -9.094 -7.848 -5.679 186 HG2 PRO 30 HG2 PRO 30 -8.809 -7.755 -8.292 187 HG3 PRO 30 HG3 PRO 30 -9.862 -6.574 -7.487 188 HD2 PRO 30 HD2 PRO 30 -7.089 -6.232 -8.536 189 HD3 PRO 30 HD3 PRO 30 -8.464 -5.119 -8.660 190 H TYR 31 H TYR 31 -5.452 -6.419 -6.271 191 HA TYR 31 HA TYR 31 -4.612 -7.037 -3.519 192 HB2 TYR 31 HB2 TYR 31 -3.176 -7.555 -6.124 193 HB3 TYR 31 HB3 TYR 31 -2.620 -8.043 -4.536 194 HD1 TYR 31 HD1 TYR 31 -3.414 -10.042 -3.538 195 HD2 TYR 31 HD2 TYR 31 -5.207 -8.614 -7.102 196 HE1 TYR 31 HE1 TYR 31 -4.574 -12.186 -3.809 197 HE2 TYR 31 HE2 TYR 31 -6.378 -10.745 -7.375 198 HH TYR 31 HH TYR 31 -6.680 -12.973 -4.968 199 H TYR 32 H TYR 32 -4.146 -4.756 -6.115 200 HA TYR 32 HA TYR 32 -1.913 -3.611 -4.675 201 HB2 TYR 32 HB2 TYR 32 -1.629 -3.891 -7.096 202 HB3 TYR 32 HB3 TYR 32 -2.969 -2.785 -7.373 203 HD1 TYR 32 HD1 TYR 32 0.123 -2.811 -5.295 204 HD2 TYR 32 HD2 TYR 32 -2.343 -0.639 -8.017 205 HE1 TYR 32 HE1 TYR 32 1.687 -0.940 -5.208 206 HE2 TYR 32 HE2 TYR 32 -0.766 1.228 -7.933 207 HH TYR 32 HH TYR 32 0.956 2.125 -6.585 208 H SER 33 H SER 33 -2.244 -2.195 -3.208 209 HA SER 33 HA SER 33 -4.293 -0.149 -3.598 210 HB2 SER 33 HB2 SER 33 -3.358 -1.401 -0.985 211 HB3 SER 33 HB3 SER 33 -4.638 -0.200 -1.169 212 HG SER 33 HG SER 33 -5.380 -2.379 -0.950 213 H GLN 34 H GLN 34 -3.483 1.982 -3.016 214 HA GLN 34 HA GLN 34 -0.639 2.079 -2.304 215 HB2 GLN 34 HB2 GLN 34 -0.562 2.193 -4.676 216 HB3 GLN 34 HB3 GLN 34 -1.899 3.328 -4.738 217 HG2 GLN 34 HG2 GLN 34 -0.517 5.054 -3.766 218 HG3 GLN 34 HG3 GLN 34 0.826 3.911 -3.601 219 HE21 GLN 34 HE21 GLN 34 2.056 3.420 -5.410 220 HE22 GLN 34 HE22 GLN 34 1.822 4.247 -6.910 221 H CYS 35 H CYS 35 -0.095 3.692 -0.949 222 HA CYS 35 HA CYS 35 -2.158 5.402 0.102 223 HB2 CYS 35 HB2 CYS 35 0.812 5.607 0.647 224 HB3 CYS 35 HB3 CYS 35 -0.518 6.307 1.548 225 H LEU 36 H LEU 36 -2.804 7.120 -0.883 226 HA LEU 36 HA LEU 36 -0.877 8.830 -2.247 227 HB2 LEU 36 HB2 LEU 36 -3.764 8.255 -2.900 228 HB3 LEU 36 HB3 LEU 36 -2.842 9.550 -3.636 229 HG LEU 36 HG LEU 36 -2.126 6.629 -3.855 230 HD11 LEU 36 HD11 LEU 36 -4.226 7.093 -4.992 231 HD12 LEU 36 HD12 LEU 36 -2.925 6.799 -6.144 232 HD13 LEU 36 HD13 LEU 36 -3.477 8.450 -5.835 233 HD21 LEU 36 HD21 LEU 36 -0.625 7.418 -5.627 234 HD22 LEU 36 HD22 LEU 36 -0.207 8.115 -4.069 235 HD23 LEU 36 HD23 LEU 36 -1.073 9.082 -5.265 236 H2 BGC 101 H2 BGC 101 8.506 2.480 0.794 237 H3 BGC 101 H3 BGC 101 6.049 0.768 1.229 238 H4 BGC 101 H4 BGC 101 8.846 0.699 2.473 239 H5 BGC 101 H5 BGC 101 6.110 1.461 3.707 240 H6C1 BGC 101 H61 BGC 101 8.985 1.404 4.717 241 H6C2 BGC 101 H62 BGC 101 7.590 0.555 5.410 242 H1 BGC 101 H1 BGC 101 5.718 3.028 1.900 243 HB BGC 101 HO2 BGC 101 7.308 1.889 -1.065 244 HC BGC 101 HO3 BGC 101 8.639 0.167 0.174 245 HD BGC 101 HO4 BGC 101 6.444 -0.775 2.906 246 H6 BGC 101 HO6 BGC 101 6.730 2.478 6.131 Start of MODEL 13 1 H1 THR 1 H1 THR 1 3.725 1.134 9.208 2 H2 THR 1 H2 THR 1 3.701 2.241 10.522 3 H3 THR 1 H3 THR 1 4.912 2.300 9.370 4 HA THR 1 HA THR 1 2.126 2.801 8.734 5 HB THR 1 HB THR 1 4.352 4.787 9.230 6 HG1 THR 1 HG1 THR 1 3.565 4.999 11.226 7 HG21 THR 1 HG21 THR 1 2.508 6.397 9.258 8 HG22 THR 1 HG22 THR 1 1.360 5.094 8.943 9 HG23 THR 1 HG23 THR 1 2.554 5.533 7.721 10 H GLN 2 H GLN 2 1.834 3.163 6.560 11 HA GLN 2 HA GLN 2 3.997 2.380 4.828 12 HB2 GLN 2 HB2 GLN 2 1.712 1.442 4.573 13 HB3 GLN 2 HB3 GLN 2 1.104 3.051 4.239 14 HG2 GLN 2 HG2 GLN 2 1.378 1.704 2.221 15 HG3 GLN 2 HG3 GLN 2 2.383 3.152 2.201 16 HE21 GLN 2 HE21 GLN 2 2.373 -0.310 2.454 17 HE22 GLN 2 HE22 GLN 2 4.058 -0.514 2.193 18 H SER 3 H SER 3 5.200 3.743 3.676 19 HA SER 3 HA SER 3 4.879 6.530 3.948 20 HB2 SER 3 HB2 SER 3 6.927 6.717 2.721 21 HB3 SER 3 HB3 SER 3 7.093 5.321 3.750 22 H HIS 4 H HIS 4 5.135 7.886 1.788 23 HA HIS 4 HA HIS 4 2.632 7.578 0.468 24 HB2 HIS 4 HB2 HIS 4 3.877 9.778 0.941 25 HB3 HIS 4 HB3 HIS 4 4.905 9.369 -0.428 26 HD1 HIS 4 HD1 HIS 4 3.800 11.800 -1.244 27 HD2 HIS 4 HD2 HIS 4 1.301 8.491 -1.225 28 HE1 HIS 4 HE1 HIS 4 1.808 12.440 -2.598 29 HE2 HIS 4 HE2 HIS 4 0.192 10.624 -2.038 30 H TYR 5 H TYR 5 2.155 6.578 -1.392 31 HA TYR 5 HA TYR 5 2.277 5.650 -3.372 32 HB2 TYR 5 HB2 TYR 5 5.228 6.340 -3.394 33 HB3 TYR 5 HB3 TYR 5 4.408 5.531 -4.726 34 HD1 TYR 5 HD1 TYR 5 2.271 6.740 -5.591 35 HD2 TYR 5 HD2 TYR 5 5.368 8.679 -3.431 36 HE1 TYR 5 HE1 TYR 5 1.536 8.888 -6.488 37 HE2 TYR 5 HE2 TYR 5 4.634 10.851 -4.334 38 HH TYR 5 HH TYR 5 3.379 11.717 -6.234 39 H GLY 6 H GLY 6 3.067 4.377 -0.679 40 HA2 GLY 6 HA2 GLY 6 4.130 1.877 -1.753 41 HA3 GLY 6 HA3 GLY 6 3.952 2.293 -0.052 42 H GLN 7 H GLN 7 3.107 -0.134 -1.136 43 HA GLN 7 HA GLN 7 0.309 -0.047 -1.676 44 HB2 GLN 7 HB2 GLN 7 1.830 -1.810 -2.564 45 HB3 GLN 7 HB3 GLN 7 2.019 -2.427 -0.931 46 HG2 GLN 7 HG2 GLN 7 -0.324 -2.995 -0.829 47 HG3 GLN 7 HG3 GLN 7 -0.601 -2.262 -2.406 48 HE21 GLN 7 HE21 GLN 7 -1.144 -4.941 -1.605 49 HE22 GLN 7 HE22 GLN 7 -0.201 -5.968 -2.610 50 H CYS 8 H CYS 8 -1.177 0.334 -0.217 51 HA CYS 8 HA CYS 8 -0.596 0.127 2.612 52 HB2 CYS 8 HB2 CYS 8 -2.869 1.181 2.838 53 HB3 CYS 8 HB3 CYS 8 -1.644 2.122 1.997 54 H GLY 9 H GLY 9 -1.409 -2.232 0.737 55 HA2 GLY 9 HA2 GLY 9 -1.903 -4.190 2.299 56 HA3 GLY 9 HA3 GLY 9 -3.351 -3.280 2.691 57 H GLY 10 H GLY 10 -1.781 -5.300 0.501 58 HA2 GLY 10 HA2 GLY 10 -4.150 -5.356 -1.201 59 HA3 GLY 10 HA3 GLY 10 -2.579 -6.027 -1.623 60 H ILE 11 H ILE 11 -4.354 -7.749 -2.063 61 HA ILE 11 HA ILE 11 -5.083 -9.326 0.203 62 HB ILE 11 HB ILE 11 -5.007 -10.002 -2.753 63 HG12 ILE 11 HG12 ILE 11 -7.345 -9.235 -0.994 64 HG13 ILE 11 HG13 ILE 11 -6.573 -8.181 -2.174 65 HG21 ILE 11 HG21 ILE 11 -6.328 -11.501 -0.501 66 HG22 ILE 11 HG22 ILE 11 -4.874 -11.994 -1.374 67 HG23 ILE 11 HG23 ILE 11 -6.424 -11.894 -2.225 68 HD11 ILE 11 HD11 ILE 11 -8.654 -9.133 -3.027 69 HD12 ILE 11 HD12 ILE 11 -8.003 -10.754 -2.789 70 HD13 ILE 11 HD13 ILE 11 -7.264 -9.674 -3.967 71 H GLY 12 H GLY 12 -3.539 -10.278 1.346 72 HA2 GLY 12 HA2 GLY 12 -1.978 -12.047 1.573 73 HA3 GLY 12 HA3 GLY 12 -1.460 -11.744 -0.085 74 H TYR 13 H TYR 13 -1.877 -8.842 1.439 75 HA TYR 13 HA TYR 13 1.017 -8.528 1.760 76 HB2 TYR 13 HB2 TYR 13 -0.360 -6.915 0.352 77 HB3 TYR 13 HB3 TYR 13 -1.140 -6.411 1.839 78 HD1 TYR 13 HD1 TYR 13 2.062 -6.475 0.019 79 HD2 TYR 13 HD2 TYR 13 -0.088 -4.829 3.298 80 HE1 TYR 13 HE1 TYR 13 3.838 -4.811 0.340 81 HE2 TYR 13 HE2 TYR 13 1.687 -3.164 3.630 82 HH TYR 13 HH TYR 13 4.133 -2.647 1.311 83 H SER 14 H SER 14 1.908 -8.140 3.756 84 HA SER 14 HA SER 14 0.054 -8.097 6.018 85 HB2 SER 14 HB2 SER 14 1.949 -9.435 7.120 86 HB3 SER 14 HB3 SER 14 0.908 -10.255 5.951 87 HG SER 14 HG SER 14 3.528 -9.996 5.866 88 H GLY 15 H GLY 15 2.268 -6.268 4.453 89 HA2 GLY 15 HA2 GLY 15 3.827 -5.356 6.688 90 HA3 GLY 15 HA3 GLY 15 3.848 -4.701 5.057 91 HA PRO 16 HA PRO 16 1.918 -1.499 7.623 92 HB2 PRO 16 HB2 PRO 16 2.779 0.609 6.132 93 HB3 PRO 16 HB3 PRO 16 3.725 -0.149 7.403 94 HG2 PRO 16 HG2 PRO 16 3.947 -0.438 4.458 95 HG3 PRO 16 HG3 PRO 16 5.219 -0.466 5.684 96 HD2 PRO 16 HD2 PRO 16 4.153 -2.687 4.451 97 HD3 PRO 16 HD3 PRO 16 4.991 -2.709 6.013 98 H THR 17 H THR 17 -0.181 -1.474 7.369 99 HA THR 17 HA THR 17 -1.390 -0.980 4.754 100 HB THR 17 HB THR 17 -3.460 -1.697 6.044 101 HG1 THR 17 HG1 THR 17 -3.081 -2.727 7.985 102 HG21 THR 17 HG21 THR 17 -2.220 -3.195 4.538 103 HG22 THR 17 HG22 THR 17 -2.866 -4.061 5.930 104 HG23 THR 17 HG23 THR 17 -1.150 -3.644 5.868 105 H VAL 18 H VAL 18 -0.823 0.535 7.747 106 HA VAL 18 HA VAL 18 -2.908 2.530 7.348 107 HB VAL 18 HB VAL 18 -0.800 2.303 9.531 108 HG11 VAL 18 HG11 VAL 18 -2.166 3.932 10.764 109 HG12 VAL 18 HG12 VAL 18 -3.240 4.081 9.373 110 HG13 VAL 18 HG13 VAL 18 -1.562 4.607 9.249 111 HG21 VAL 18 HG21 VAL 18 -2.390 0.449 9.548 112 HG22 VAL 18 HG22 VAL 18 -3.733 1.592 9.583 113 HG23 VAL 18 HG23 VAL 18 -2.615 1.496 10.946 114 H CYS 19 H CYS 19 -2.514 4.450 6.403 115 HA CYS 19 HA CYS 19 0.075 4.775 5.161 116 HB2 CYS 19 HB2 CYS 19 -2.456 6.406 4.835 117 HB3 CYS 19 HB3 CYS 19 -1.007 6.469 3.828 118 H ALA 20 H ALA 20 1.289 6.664 5.236 119 HA ALA 20 HA ALA 20 1.570 7.844 7.779 120 HB1 ALA 20 HB1 ALA 20 2.755 8.695 5.140 121 HB2 ALA 20 HB2 ALA 20 3.448 7.502 6.236 122 HB3 ALA 20 HB3 ALA 20 3.316 9.191 6.737 123 H SER 21 H SER 21 1.553 10.166 8.212 124 HA SER 21 HA SER 21 -0.891 11.345 7.860 125 HB2 SER 21 HB2 SER 21 1.737 12.716 8.408 126 HB3 SER 21 HB3 SER 21 0.128 13.218 8.940 127 HG SER 21 HG SER 21 1.091 12.194 10.627 128 H GLY 22 H GLY 22 -1.738 12.207 6.092 129 HA2 GLY 22 HA2 GLY 22 -1.713 13.983 4.479 130 HA3 GLY 22 HA3 GLY 22 -0.002 13.673 4.237 131 H THR 23 H THR 23 -1.354 10.680 4.451 132 HA THR 23 HA THR 23 -1.917 10.653 1.575 133 HB THR 23 HB THR 23 -0.745 8.487 1.361 134 HG1 THR 23 HG1 THR 23 -0.323 8.880 4.146 135 HG21 THR 23 HG21 THR 23 0.514 10.527 0.931 136 HG22 THR 23 HG22 THR 23 1.553 9.289 1.642 137 HG23 THR 23 HG23 THR 23 0.957 10.621 2.635 138 H THR 24 H THR 24 -3.346 9.007 0.848 139 HA THR 24 HA THR 24 -4.979 7.803 2.977 140 HB THR 24 HB THR 24 -6.881 8.066 1.260 141 HG1 THR 24 HG1 THR 24 -4.808 9.412 -0.044 142 HG21 THR 24 HG21 THR 24 -6.771 9.415 3.313 143 HG22 THR 24 HG22 THR 24 -7.366 10.377 1.957 144 HG23 THR 24 HG23 THR 24 -5.700 10.562 2.502 145 H CYS 25 H CYS 25 -5.728 5.670 2.560 146 HA CYS 25 HA CYS 25 -4.125 4.231 0.652 147 HB2 CYS 25 HB2 CYS 25 -4.509 3.194 2.844 148 HB3 CYS 25 HB3 CYS 25 -6.253 3.258 2.580 149 H GLN 26 H GLN 26 -4.697 4.334 -1.392 150 HA GLN 26 HA GLN 26 -7.526 4.390 -2.122 151 HB2 GLN 26 HB2 GLN 26 -5.049 4.821 -3.804 152 HB3 GLN 26 HB3 GLN 26 -6.707 5.050 -4.335 153 HG2 GLN 26 HG2 GLN 26 -5.349 6.647 -2.170 154 HG3 GLN 26 HG3 GLN 26 -5.536 7.165 -3.841 155 HE21 GLN 26 HE21 GLN 26 -6.481 8.367 -1.373 156 HE22 GLN 26 HE22 GLN 26 -8.179 8.531 -1.564 157 H VAL 27 H VAL 27 -8.354 2.385 -2.460 158 HA VAL 27 HA VAL 27 -6.672 0.212 -3.296 159 HB VAL 27 HB VAL 27 -9.713 0.318 -3.098 160 HG11 VAL 27 HG11 VAL 27 -7.868 -2.056 -3.379 161 HG12 VAL 27 HG12 VAL 27 -8.946 -1.437 -4.626 162 HG13 VAL 27 HG13 VAL 27 -9.616 -2.135 -3.149 163 HG21 VAL 27 HG21 VAL 27 -9.415 -0.939 -1.028 164 HG22 VAL 27 HG22 VAL 27 -8.621 0.642 -0.942 165 HG23 VAL 27 HG23 VAL 27 -7.668 -0.816 -1.214 166 H LEU 28 H LEU 28 -5.843 0.658 -5.196 167 HA LEU 28 HA LEU 28 -7.340 1.825 -7.342 168 HB2 LEU 28 HB2 LEU 28 -4.648 0.475 -7.417 169 HB3 LEU 28 HB3 LEU 28 -5.318 1.508 -8.657 170 HG LEU 28 HG LEU 28 -4.439 2.361 -5.894 171 HD11 LEU 28 HD11 LEU 28 -3.303 2.960 -8.613 172 HD12 LEU 28 HD12 LEU 28 -2.637 1.840 -7.431 173 HD13 LEU 28 HD13 LEU 28 -2.698 3.566 -7.067 174 HD21 LEU 28 HD21 LEU 28 -5.541 3.999 -8.164 175 HD22 LEU 28 HD22 LEU 28 -4.841 4.627 -6.672 176 HD23 LEU 28 HD23 LEU 28 -6.341 3.694 -6.614 177 H ASN 29 H ASN 29 -6.183 -1.370 -6.447 178 HA ASN 29 HA ASN 29 -7.878 -2.547 -8.501 179 HB2 ASN 29 HB2 ASN 29 -4.955 -3.262 -8.069 180 HB3 ASN 29 HB3 ASN 29 -6.071 -4.113 -9.131 181 HD21 ASN 29 HD21 ASN 29 -4.004 -1.380 -8.753 182 HD22 ASN 29 HD22 ASN 29 -4.187 -0.769 -10.346 183 HA PRO 30 HA PRO 30 -9.089 -5.463 -5.399 184 HB2 PRO 30 HB2 PRO 30 -7.880 -7.702 -6.954 185 HB3 PRO 30 HB3 PRO 30 -9.510 -7.552 -6.280 186 HG2 PRO 30 HG2 PRO 30 -9.118 -7.221 -8.877 187 HG3 PRO 30 HG3 PRO 30 -10.229 -6.170 -7.984 188 HD2 PRO 30 HD2 PRO 30 -7.473 -5.612 -8.973 189 HD3 PRO 30 HD3 PRO 30 -8.878 -4.530 -8.912 190 H TYR 31 H TYR 31 -5.805 -6.189 -6.614 191 HA TYR 31 HA TYR 31 -5.113 -7.093 -3.907 192 HB2 TYR 31 HB2 TYR 31 -3.510 -7.371 -6.479 193 HB3 TYR 31 HB3 TYR 31 -3.077 -8.007 -4.908 194 HD1 TYR 31 HD1 TYR 31 -3.750 -10.143 -4.280 195 HD2 TYR 31 HD2 TYR 31 -5.673 -8.243 -7.555 196 HE1 TYR 31 HE1 TYR 31 -4.951 -12.231 -4.782 197 HE2 TYR 31 HE2 TYR 31 -6.865 -10.311 -8.070 198 HH TYR 31 HH TYR 31 -6.902 -12.993 -5.915 199 H TYR 32 H TYR 32 -4.544 -4.571 -6.255 200 HA TYR 32 HA TYR 32 -2.360 -3.630 -4.614 201 HB2 TYR 32 HB2 TYR 32 -1.950 -3.752 -7.039 202 HB3 TYR 32 HB3 TYR 32 -3.165 -2.498 -7.279 203 HD1 TYR 32 HD1 TYR 32 -2.477 -0.264 -7.302 204 HD2 TYR 32 HD2 TYR 32 -0.081 -3.170 -5.330 205 HE1 TYR 32 HE1 TYR 32 -0.783 1.451 -6.812 206 HE2 TYR 32 HE2 TYR 32 1.615 -1.471 -4.852 207 HH TYR 32 HH TYR 32 2.337 0.636 -5.635 208 H SER 33 H SER 33 -2.695 -2.322 -3.037 209 HA SER 33 HA SER 33 -4.618 -0.113 -3.344 210 HB2 SER 33 HB2 SER 33 -3.660 -1.480 -0.796 211 HB3 SER 33 HB3 SER 33 -4.839 -0.173 -0.887 212 HG SER 33 HG SER 33 -5.224 -2.800 -1.071 213 H GLN 34 H GLN 34 -3.662 1.970 -2.944 214 HA GLN 34 HA GLN 34 -0.824 1.920 -2.155 215 HB2 GLN 34 HB2 GLN 34 -0.969 1.987 -4.602 216 HB3 GLN 34 HB3 GLN 34 -1.981 3.417 -4.507 217 HG2 GLN 34 HG2 GLN 34 -0.183 4.688 -3.581 218 HG3 GLN 34 HG3 GLN 34 0.880 3.267 -3.551 219 HE21 GLN 34 HE21 GLN 34 2.408 4.069 -4.943 220 HE22 GLN 34 HE22 GLN 34 2.089 4.481 -6.589 221 H CYS 35 H CYS 35 -0.229 3.536 -0.769 222 HA CYS 35 HA CYS 35 -2.259 5.379 0.124 223 HB2 CYS 35 HB2 CYS 35 0.673 5.364 0.944 224 HB3 CYS 35 HB3 CYS 35 -0.653 6.239 1.676 225 H LEU 36 H LEU 36 -2.738 7.020 -1.007 226 HA LEU 36 HA LEU 36 -0.657 8.518 -2.381 227 HB2 LEU 36 HB2 LEU 36 -3.549 8.070 -3.131 228 HB3 LEU 36 HB3 LEU 36 -2.468 9.171 -3.966 229 HG LEU 36 HG LEU 36 -2.035 6.185 -3.775 230 HD11 LEU 36 HD11 LEU 36 -3.999 6.691 -5.127 231 HD12 LEU 36 HD12 LEU 36 -2.646 6.097 -6.088 232 HD13 LEU 36 HD13 LEU 36 -3.036 7.821 -6.092 233 HD21 LEU 36 HD21 LEU 36 0.027 7.417 -4.028 234 HD22 LEU 36 HD22 LEU 36 -0.657 8.326 -5.373 235 HD23 LEU 36 HD23 LEU 36 -0.379 6.593 -5.532 236 H2 BGC 101 H2 BGC 101 8.144 3.027 0.393 237 H3 BGC 101 H3 BGC 101 5.680 1.318 0.834 238 H4 BGC 101 H4 BGC 101 8.619 0.927 1.485 239 H5 BGC 101 H5 BGC 101 6.135 1.359 3.277 240 H6C1 BGC 101 H61 BGC 101 9.107 1.056 3.899 241 H6C2 BGC 101 H62 BGC 101 7.800 -0.007 4.441 242 H1 BGC 101 H1 BGC 101 5.601 3.363 1.993 243 HB BGC 101 HO2 BGC 101 6.575 4.407 -0.509 244 HC BGC 101 HO3 BGC 101 6.554 1.269 -1.305 245 HD BGC 101 HO4 BGC 101 7.388 -0.902 0.875 246 H6 BGC 101 HO6 BGC 101 7.490 1.275 6.066 Start of MODEL 14 1 H1 THR 1 H1 THR 1 3.537 0.938 9.120 2 H2 THR 1 H2 THR 1 3.509 1.953 10.478 3 H3 THR 1 H3 THR 1 4.871 1.904 9.481 4 HA THR 1 HA THR 1 2.229 2.888 8.696 5 HB THR 1 HB THR 1 4.766 4.484 9.134 6 HG1 THR 1 HG1 THR 1 3.223 5.056 11.084 7 HG21 THR 1 HG21 THR 1 3.016 5.519 7.753 8 HG22 THR 1 HG22 THR 1 3.140 6.350 9.306 9 HG23 THR 1 HG23 THR 1 1.829 5.207 9.016 10 H GLN 2 H GLN 2 2.115 3.503 6.525 11 HA GLN 2 HA GLN 2 4.322 2.592 4.824 12 HB2 GLN 2 HB2 GLN 2 2.118 1.360 4.746 13 HB3 GLN 2 HB3 GLN 2 1.393 2.837 4.180 14 HG2 GLN 2 HG2 GLN 2 1.829 1.171 2.398 15 HG3 GLN 2 HG3 GLN 2 2.563 2.741 2.113 16 HE21 GLN 2 HE21 GLN 2 3.112 -0.141 1.319 17 HE22 GLN 2 HE22 GLN 2 4.808 -0.354 1.570 18 H SER 3 H SER 3 5.267 4.035 3.601 19 HA SER 3 HA SER 3 4.529 6.758 3.667 20 HB2 SER 3 HB2 SER 3 6.529 7.167 2.417 21 HB3 SER 3 HB3 SER 3 6.894 5.918 3.592 22 H HIS 4 H HIS 4 4.574 8.028 1.591 23 HA HIS 4 HA HIS 4 2.289 7.561 0.062 24 HB2 HIS 4 HB2 HIS 4 3.549 9.749 0.580 25 HB3 HIS 4 HB3 HIS 4 4.618 9.314 -0.738 26 HD1 HIS 4 HD1 HIS 4 3.909 11.388 -2.085 27 HD2 HIS 4 HD2 HIS 4 0.777 8.857 -1.149 28 HE1 HIS 4 HE1 HIS 4 1.936 12.244 -3.382 29 HE2 HIS 4 HE2 HIS 4 0.033 10.945 -2.444 30 H TYR 5 H TYR 5 1.951 6.540 -1.855 31 HA TYR 5 HA TYR 5 2.182 5.372 -3.691 32 HB2 TYR 5 HB2 TYR 5 5.051 6.300 -3.723 33 HB3 TYR 5 HB3 TYR 5 4.392 5.229 -4.940 34 HD1 TYR 5 HD1 TYR 5 4.532 8.665 -3.766 35 HD2 TYR 5 HD2 TYR 5 2.596 6.002 -6.446 36 HE1 TYR 5 HE1 TYR 5 3.670 10.577 -5.048 37 HE2 TYR 5 HE2 TYR 5 1.731 7.904 -7.729 38 HH TYR 5 HH TYR 5 1.241 10.249 -7.422 39 H GLY 6 H GLY 6 3.204 4.415 -0.879 40 HA2 GLY 6 HA2 GLY 6 4.394 1.919 -1.732 41 HA3 GLY 6 HA3 GLY 6 4.057 2.418 -0.076 42 H GLN 7 H GLN 7 3.438 -0.099 -1.352 43 HA GLN 7 HA GLN 7 0.643 -0.175 -1.855 44 HB2 GLN 7 HB2 GLN 7 2.208 -1.877 -2.734 45 HB3 GLN 7 HB3 GLN 7 2.549 -2.400 -1.095 46 HG2 GLN 7 HG2 GLN 7 0.227 -3.141 -0.846 47 HG3 GLN 7 HG3 GLN 7 -0.120 -2.600 -2.485 48 HE21 GLN 7 HE21 GLN 7 -0.708 -4.810 -3.123 49 HE22 GLN 7 HE22 GLN 7 0.555 -5.922 -3.405 50 H CYS 8 H CYS 8 -0.820 0.183 -0.384 51 HA CYS 8 HA CYS 8 -0.130 0.092 2.448 52 HB2 CYS 8 HB2 CYS 8 -2.300 1.278 2.737 53 HB3 CYS 8 HB3 CYS 8 -1.120 2.121 1.741 54 H GLY 9 H GLY 9 -1.114 -2.226 0.604 55 HA2 GLY 9 HA2 GLY 9 -1.721 -4.247 1.894 56 HA3 GLY 9 HA3 GLY 9 -2.847 -3.220 2.762 57 H GLY 10 H GLY 10 -2.180 -4.864 -0.176 58 HA2 GLY 10 HA2 GLY 10 -4.995 -4.645 -0.951 59 HA3 GLY 10 HA3 GLY 10 -3.669 -5.322 -1.916 60 H ILE 11 H ILE 11 -5.684 -6.993 -1.783 61 HA ILE 11 HA ILE 11 -5.837 -8.627 0.490 62 HB ILE 11 HB ILE 11 -6.215 -9.440 -2.415 63 HG12 ILE 11 HG12 ILE 11 -8.265 -8.545 -0.368 64 HG13 ILE 11 HG13 ILE 11 -7.667 -7.557 -1.697 65 HG21 ILE 11 HG21 ILE 11 -7.602 -11.268 -1.507 66 HG22 ILE 11 HG22 ILE 11 -7.156 -10.775 0.129 67 HG23 ILE 11 HG23 ILE 11 -5.924 -11.383 -0.975 68 HD11 ILE 11 HD11 ILE 11 -9.229 -10.119 -1.955 69 HD12 ILE 11 HD12 ILE 11 -8.632 -9.141 -3.295 70 HD13 ILE 11 HD13 ILE 11 -9.853 -8.488 -2.203 71 H GLY 12 H GLY 12 -4.215 -9.715 1.437 72 HA2 GLY 12 HA2 GLY 12 -2.764 -11.625 1.334 73 HA3 GLY 12 HA3 GLY 12 -2.357 -11.168 -0.313 74 H TYR 13 H TYR 13 -2.291 -8.294 0.981 75 HA TYR 13 HA TYR 13 0.557 -8.521 1.615 76 HB2 TYR 13 HB2 TYR 13 -0.192 -6.905 -0.163 77 HB3 TYR 13 HB3 TYR 13 -1.077 -6.025 1.071 78 HD1 TYR 13 HD1 TYR 13 0.094 -4.539 2.610 79 HD2 TYR 13 HD2 TYR 13 2.254 -6.936 -0.161 80 HE1 TYR 13 HE1 TYR 13 2.115 -3.249 3.080 81 HE2 TYR 13 HE2 TYR 13 4.289 -5.648 0.307 82 HH TYR 13 HH TYR 13 4.901 -3.406 1.164 83 H SER 14 H SER 14 1.162 -8.480 3.698 84 HA SER 14 HA SER 14 -0.716 -7.303 5.607 85 HB2 SER 14 HB2 SER 14 0.183 -9.084 7.192 86 HB3 SER 14 HB3 SER 14 -0.875 -9.641 5.896 87 HG SER 14 HG SER 14 0.653 -10.843 5.253 88 H GLY 15 H GLY 15 1.737 -6.248 4.246 89 HA2 GLY 15 HA2 GLY 15 3.623 -5.829 6.411 90 HA3 GLY 15 HA3 GLY 15 3.700 -5.128 4.800 91 HA PRO 16 HA PRO 16 2.478 -1.628 7.431 92 HB2 PRO 16 HB2 PRO 16 3.473 0.319 5.769 93 HB3 PRO 16 HB3 PRO 16 4.445 -0.520 6.973 94 HG2 PRO 16 HG2 PRO 16 4.290 -0.960 4.036 95 HG3 PRO 16 HG3 PRO 16 5.685 -1.072 5.120 96 HD2 PRO 16 HD2 PRO 16 4.297 -3.232 4.160 97 HD3 PRO 16 HD3 PRO 16 5.226 -3.237 5.668 98 H THR 17 H THR 17 0.332 -1.470 7.285 99 HA THR 17 HA THR 17 -0.894 -1.041 4.684 100 HB THR 17 HB THR 17 -2.985 -1.734 5.955 101 HG1 THR 17 HG1 THR 17 -2.775 -2.104 8.001 102 HG21 THR 17 HG21 THR 17 -1.733 -3.261 4.464 103 HG22 THR 17 HG22 THR 17 -2.390 -4.125 5.855 104 HG23 THR 17 HG23 THR 17 -0.681 -3.697 5.805 105 H VAL 18 H VAL 18 -0.320 0.546 7.669 106 HA VAL 18 HA VAL 18 -2.489 2.444 7.275 107 HB VAL 18 HB VAL 18 -0.430 2.245 9.482 108 HG11 VAL 18 HG11 VAL 18 -1.104 4.555 9.205 109 HG12 VAL 18 HG12 VAL 18 -1.817 3.901 10.682 110 HG13 VAL 18 HG13 VAL 18 -2.806 4.092 9.232 111 HG21 VAL 18 HG21 VAL 18 -3.359 1.578 9.407 112 HG22 VAL 18 HG22 VAL 18 -2.341 1.550 10.844 113 HG23 VAL 18 HG23 VAL 18 -2.023 0.429 9.516 114 H CYS 19 H CYS 19 -2.162 4.082 5.988 115 HA CYS 19 HA CYS 19 0.447 4.857 5.139 116 HB2 CYS 19 HB2 CYS 19 -2.188 6.252 4.635 117 HB3 CYS 19 HB3 CYS 19 -0.690 6.407 3.713 118 H ALA 20 H ALA 20 1.480 6.781 5.524 119 HA ALA 20 HA ALA 20 1.220 7.973 8.065 120 HB1 ALA 20 HB1 ALA 20 2.810 9.645 7.245 121 HB2 ALA 20 HB2 ALA 20 2.570 9.074 5.593 122 HB3 ALA 20 HB3 ALA 20 3.322 8.018 6.790 123 H SER 21 H SER 21 0.273 9.926 8.708 124 HA SER 21 HA SER 21 -2.089 10.595 7.402 125 HB2 SER 21 HB2 SER 21 -0.543 12.137 9.485 126 HB3 SER 21 HB3 SER 21 -2.249 12.366 9.073 127 HG SER 21 HG SER 21 -2.366 9.983 9.535 128 H GLY 22 H GLY 22 -2.549 11.952 5.860 129 HA2 GLY 22 HA2 GLY 22 -2.049 14.057 4.693 130 HA3 GLY 22 HA3 GLY 22 -0.352 13.561 4.750 131 H THR 23 H THR 23 -1.408 10.717 4.433 132 HA THR 23 HA THR 23 -2.057 10.798 1.575 133 HB THR 23 HB THR 23 -0.676 8.767 1.249 134 HG1 THR 23 HG1 THR 23 -0.266 9.017 4.046 135 HG21 THR 23 HG21 THR 23 1.554 9.736 1.542 136 HG22 THR 23 HG22 THR 23 0.878 10.971 2.604 137 HG23 THR 23 HG23 THR 23 0.418 10.923 0.902 138 H THR 24 H THR 24 -3.452 9.035 0.928 139 HA THR 24 HA THR 24 -4.715 7.648 3.200 140 HB THR 24 HB THR 24 -6.844 7.746 1.822 141 HG1 THR 24 HG1 THR 24 -5.116 9.239 0.194 142 HG21 THR 24 HG21 THR 24 -6.515 9.228 3.750 143 HG22 THR 24 HG22 THR 24 -7.378 10.072 2.463 144 HG23 THR 24 HG23 THR 24 -5.660 10.378 2.725 145 H CYS 25 H CYS 25 -5.303 5.465 2.845 146 HA CYS 25 HA CYS 25 -3.813 4.162 0.788 147 HB2 CYS 25 HB2 CYS 25 -4.125 3.064 2.941 148 HB3 CYS 25 HB3 CYS 25 -5.874 3.053 2.723 149 H GLN 26 H GLN 26 -4.415 4.075 -1.237 150 HA GLN 26 HA GLN 26 -7.257 4.210 -1.886 151 HB2 GLN 26 HB2 GLN 26 -4.806 4.728 -3.570 152 HB3 GLN 26 HB3 GLN 26 -6.463 4.815 -4.149 153 HG2 GLN 26 HG2 GLN 26 -5.292 6.530 -1.977 154 HG3 GLN 26 HG3 GLN 26 -5.527 7.016 -3.653 155 HE21 GLN 26 HE21 GLN 26 -6.626 8.041 -1.150 156 HE22 GLN 26 HE22 GLN 26 -8.334 8.033 -1.375 157 H VAL 27 H VAL 27 -8.133 2.331 -2.253 158 HA VAL 27 HA VAL 27 -6.576 0.056 -3.038 159 HB VAL 27 HB VAL 27 -9.604 0.363 -2.951 160 HG11 VAL 27 HG11 VAL 27 -7.888 -2.120 -3.018 161 HG12 VAL 27 HG12 VAL 27 -8.824 -1.489 -4.361 162 HG13 VAL 27 HG13 VAL 27 -9.653 -2.088 -2.917 163 HG21 VAL 27 HG21 VAL 27 -9.486 -0.793 -0.783 164 HG22 VAL 27 HG22 VAL 27 -8.614 0.738 -0.742 165 HG23 VAL 27 HG23 VAL 27 -7.725 -0.777 -0.874 166 H LEU 28 H LEU 28 -5.774 0.148 -4.968 167 HA LEU 28 HA LEU 28 -7.189 1.471 -7.137 168 HB2 LEU 28 HB2 LEU 28 -4.454 0.195 -7.045 169 HB3 LEU 28 HB3 LEU 28 -5.105 1.084 -8.405 170 HG LEU 28 HG LEU 28 -4.516 2.278 -5.686 171 HD11 LEU 28 HD11 LEU 28 -2.495 1.627 -6.826 172 HD12 LEU 28 HD12 LEU 28 -2.659 3.385 -6.826 173 HD13 LEU 28 HD13 LEU 28 -3.017 2.461 -8.289 174 HD21 LEU 28 HD21 LEU 28 -5.286 3.533 -8.300 175 HD22 LEU 28 HD22 LEU 28 -4.806 4.400 -6.840 176 HD23 LEU 28 HD23 LEU 28 -6.303 3.450 -6.852 177 H ASN 29 H ASN 29 -5.866 -1.675 -6.288 178 HA ASN 29 HA ASN 29 -7.659 -2.947 -8.212 179 HB2 ASN 29 HB2 ASN 29 -4.740 -3.742 -7.731 180 HB3 ASN 29 HB3 ASN 29 -5.873 -4.615 -8.733 181 HD21 ASN 29 HD21 ASN 29 -5.089 -1.169 -8.643 182 HD22 ASN 29 HD22 ASN 29 -4.527 -1.050 -10.268 183 HA PRO 30 HA PRO 30 -8.595 -5.556 -4.697 184 HB2 PRO 30 HB2 PRO 30 -7.541 -8.014 -5.992 185 HB3 PRO 30 HB3 PRO 30 -9.146 -7.700 -5.324 186 HG2 PRO 30 HG2 PRO 30 -8.776 -7.775 -7.950 187 HG3 PRO 30 HG3 PRO 30 -9.862 -6.582 -7.218 188 HD2 PRO 30 HD2 PRO 30 -7.082 -6.233 -8.258 189 HD3 PRO 30 HD3 PRO 30 -8.479 -5.146 -8.414 190 H TYR 31 H TYR 31 -5.465 -6.482 -6.137 191 HA TYR 31 HA TYR 31 -4.540 -7.107 -3.426 192 HB2 TYR 31 HB2 TYR 31 -3.129 -7.714 -6.048 193 HB3 TYR 31 HB3 TYR 31 -2.726 -8.326 -4.459 194 HD1 TYR 31 HD1 TYR 31 -5.029 -8.668 -7.312 195 HD2 TYR 31 HD2 TYR 31 -4.030 -10.133 -3.448 196 HE1 TYR 31 HE1 TYR 31 -6.424 -10.640 -7.709 197 HE2 TYR 31 HE2 TYR 31 -5.427 -12.109 -3.837 198 HH TYR 31 HH TYR 31 -7.279 -12.744 -5.187 199 H TYR 32 H TYR 32 -4.102 -4.881 -6.071 200 HA TYR 32 HA TYR 32 -1.840 -3.725 -4.668 201 HB2 TYR 32 HB2 TYR 32 -1.648 -4.018 -7.139 202 HB3 TYR 32 HB3 TYR 32 -2.911 -2.805 -7.338 203 HD1 TYR 32 HD1 TYR 32 -2.268 -0.555 -7.582 204 HD2 TYR 32 HD2 TYR 32 0.342 -3.287 -5.627 205 HE1 TYR 32 HE1 TYR 32 -0.578 1.217 -7.357 206 HE2 TYR 32 HE2 TYR 32 2.040 -1.536 -5.406 207 HH TYR 32 HH TYR 32 2.652 0.565 -6.485 208 H SER 33 H SER 33 -2.159 -2.282 -3.161 209 HA SER 33 HA SER 33 -4.182 -0.208 -3.574 210 HB2 SER 33 HB2 SER 33 -3.325 -1.483 -0.952 211 HB3 SER 33 HB3 SER 33 -4.536 -0.218 -1.136 212 HG SER 33 HG SER 33 -5.272 -2.481 -0.935 213 H GLN 34 H GLN 34 -3.365 1.897 -3.005 214 HA GLN 34 HA GLN 34 -0.526 1.980 -2.246 215 HB2 GLN 34 HB2 GLN 34 -0.462 2.041 -4.635 216 HB3 GLN 34 HB3 GLN 34 -1.768 3.211 -4.702 217 HG2 GLN 34 HG2 GLN 34 -0.328 4.913 -3.767 218 HG3 GLN 34 HG3 GLN 34 0.966 3.729 -3.581 219 HE21 GLN 34 HE21 GLN 34 2.187 3.186 -5.331 220 HE22 GLN 34 HE22 GLN 34 2.041 3.927 -6.868 221 H CYS 35 H CYS 35 0.012 3.656 -0.920 222 HA CYS 35 HA CYS 35 -2.091 5.344 0.083 223 HB2 CYS 35 HB2 CYS 35 0.875 5.669 0.654 224 HB3 CYS 35 HB3 CYS 35 -0.489 6.340 1.518 225 H LEU 36 H LEU 36 -2.776 7.042 -0.887 226 HA LEU 36 HA LEU 36 -0.915 8.737 -2.345 227 HB2 LEU 36 HB2 LEU 36 -3.754 8.003 -3.026 228 HB3 LEU 36 HB3 LEU 36 -2.883 9.320 -3.787 229 HG LEU 36 HG LEU 36 -2.009 6.432 -3.893 230 HD11 LEU 36 HD11 LEU 36 -4.102 6.730 -5.084 231 HD12 LEU 36 HD12 LEU 36 -2.768 6.496 -6.219 232 HD13 LEU 36 HD13 LEU 36 -3.425 8.110 -5.942 233 HD21 LEU 36 HD21 LEU 36 -0.517 7.243 -5.671 234 HD22 LEU 36 HD22 LEU 36 -0.167 8.002 -4.125 235 HD23 LEU 36 HD23 LEU 36 -1.057 8.893 -5.362 236 H2 BGC 101 H2 BGC 101 8.362 3.512 0.467 237 H3 BGC 101 H3 BGC 101 6.156 1.503 1.025 238 H4 BGC 101 H4 BGC 101 9.112 1.659 1.671 239 H5 BGC 101 H5 BGC 101 6.607 1.788 3.471 240 H6C1 BGC 101 H61 BGC 101 9.574 2.146 4.040 241 H6C2 BGC 101 H62 BGC 101 8.550 0.829 4.645 242 H1 BGC 101 H1 BGC 101 5.746 3.611 1.974 243 HB BGC 101 HO2 BGC 101 6.694 4.610 -0.573 244 HC BGC 101 HO3 BGC 101 7.036 1.397 -1.121 245 HD BGC 101 HO4 BGC 101 8.711 -0.277 2.767 246 H6 BGC 101 HO6 BGC 101 8.490 3.609 5.297 Start of MODEL 15 1 H1 THR 1 H1 THR 1 4.598 2.591 10.503 2 H2 THR 1 H2 THR 1 5.779 2.817 9.316 3 H3 THR 1 H3 THR 1 4.704 1.518 9.198 4 HA THR 1 HA THR 1 2.885 3.014 8.878 5 HB THR 1 HB THR 1 4.981 5.216 9.007 6 HG1 THR 1 HG1 THR 1 2.994 5.095 10.915 7 HG21 THR 1 HG21 THR 1 2.983 5.721 7.638 8 HG22 THR 1 HG22 THR 1 3.014 6.694 9.105 9 HG23 THR 1 HG23 THR 1 1.952 5.291 9.000 10 H GLN 2 H GLN 2 2.330 3.406 6.698 11 HA GLN 2 HA GLN 2 4.394 2.607 4.830 12 HB2 GLN 2 HB2 GLN 2 2.145 1.463 4.947 13 HB3 GLN 2 HB3 GLN 2 1.439 2.950 4.380 14 HG2 GLN 2 HG2 GLN 2 1.697 1.243 2.599 15 HG3 GLN 2 HG3 GLN 2 2.509 2.763 2.255 16 HE21 GLN 2 HE21 GLN 2 2.889 -0.157 1.442 17 HE22 GLN 2 HE22 GLN 2 4.571 -0.432 1.657 18 H SER 3 H SER 3 5.445 4.005 3.718 19 HA SER 3 HA SER 3 4.975 6.728 3.670 20 HB2 SER 3 HB2 SER 3 6.801 6.860 2.072 21 HB3 SER 3 HB3 SER 3 7.198 5.764 3.379 22 H HIS 4 H HIS 4 4.684 8.124 1.848 23 HA HIS 4 HA HIS 4 2.320 7.711 0.406 24 HB2 HIS 4 HB2 HIS 4 3.416 9.929 0.992 25 HB3 HIS 4 HB3 HIS 4 4.558 9.631 -0.309 26 HD1 HIS 4 HD1 HIS 4 3.658 11.865 -1.435 27 HD2 HIS 4 HD2 HIS 4 0.836 8.844 -1.080 28 HE1 HIS 4 HE1 HIS 4 1.712 12.605 -2.792 29 HE2 HIS 4 HE2 HIS 4 -0.076 10.981 -2.137 30 H TYR 5 H TYR 5 1.898 6.717 -1.464 31 HA TYR 5 HA TYR 5 2.043 5.694 -3.375 32 HB2 TYR 5 HB2 TYR 5 4.892 6.697 -3.548 33 HB3 TYR 5 HB3 TYR 5 4.181 5.660 -4.781 34 HD1 TYR 5 HD1 TYR 5 2.065 6.483 -5.941 35 HD2 TYR 5 HD2 TYR 5 4.547 9.023 -3.615 36 HE1 TYR 5 HE1 TYR 5 1.072 8.444 -7.037 37 HE2 TYR 5 HE2 TYR 5 3.564 10.993 -4.703 38 HH TYR 5 HH TYR 5 2.396 11.516 -6.833 39 H GLY 6 H GLY 6 3.118 4.631 -0.665 40 HA2 GLY 6 HA2 GLY 6 4.366 2.204 -1.606 41 HA3 GLY 6 HA3 GLY 6 3.950 2.607 0.056 42 H GLN 7 H GLN 7 3.429 0.139 -1.439 43 HA GLN 7 HA GLN 7 0.642 0.017 -1.987 44 HB2 GLN 7 HB2 GLN 7 2.416 -1.620 -2.828 45 HB3 GLN 7 HB3 GLN 7 2.422 -2.319 -1.210 46 HG2 GLN 7 HG2 GLN 7 0.003 -2.827 -1.484 47 HG3 GLN 7 HG3 GLN 7 0.100 -2.217 -3.132 48 HE21 GLN 7 HE21 GLN 7 -0.694 -4.869 -2.418 49 HE22 GLN 7 HE22 GLN 7 0.479 -5.938 -3.040 50 H CYS 8 H CYS 8 -0.810 0.378 -0.449 51 HA CYS 8 HA CYS 8 -0.114 0.082 2.345 52 HB2 CYS 8 HB2 CYS 8 -2.314 1.131 2.775 53 HB3 CYS 8 HB3 CYS 8 -1.256 2.082 1.743 54 H GLY 9 H GLY 9 -1.049 -2.132 0.326 55 HA2 GLY 9 HA2 GLY 9 -1.391 -4.305 1.305 56 HA3 GLY 9 HA3 GLY 9 -2.398 -3.540 2.520 57 H GLY 10 H GLY 10 -2.222 -5.046 -0.477 58 HA2 GLY 10 HA2 GLY 10 -5.103 -4.758 -0.914 59 HA3 GLY 10 HA3 GLY 10 -3.910 -5.466 -2.015 60 H ILE 11 H ILE 11 -5.623 -7.249 -1.916 61 HA ILE 11 HA ILE 11 -5.779 -8.870 0.379 62 HB ILE 11 HB ILE 11 -6.108 -9.602 -2.548 63 HG12 ILE 11 HG12 ILE 11 -8.170 -9.029 -0.405 64 HG13 ILE 11 HG13 ILE 11 -7.696 -7.936 -1.701 65 HG21 ILE 11 HG21 ILE 11 -6.857 -11.217 -0.110 66 HG22 ILE 11 HG22 ILE 11 -5.571 -11.576 -1.265 67 HG23 ILE 11 HG23 ILE 11 -7.257 -11.622 -1.786 68 HD11 ILE 11 HD11 ILE 11 -8.573 -9.508 -3.349 69 HD12 ILE 11 HD12 ILE 11 -9.805 -9.032 -2.180 70 HD13 ILE 11 HD13 ILE 11 -9.032 -10.613 -2.053 71 H GLY 12 H GLY 12 -4.147 -9.862 1.349 72 HA2 GLY 12 HA2 GLY 12 -2.598 -11.722 1.263 73 HA3 GLY 12 HA3 GLY 12 -2.155 -11.192 -0.352 74 H TYR 13 H TYR 13 -2.247 -8.366 0.710 75 HA TYR 13 HA TYR 13 0.508 -8.406 1.722 76 HB2 TYR 13 HB2 TYR 13 -0.019 -7.119 -0.382 77 HB3 TYR 13 HB3 TYR 13 -1.071 -6.082 0.563 78 HD1 TYR 13 HD1 TYR 13 2.231 -6.609 -0.641 79 HD2 TYR 13 HD2 TYR 13 0.086 -4.766 2.541 80 HE1 TYR 13 HE1 TYR 13 4.174 -5.184 -0.142 81 HE2 TYR 13 HE2 TYR 13 2.014 -3.347 3.031 82 HH TYR 13 HH TYR 13 4.716 -3.062 0.960 83 H SER 14 H SER 14 0.452 -8.473 3.882 84 HA SER 14 HA SER 14 -1.549 -6.839 5.253 85 HB2 SER 14 HB2 SER 14 -0.225 -9.347 6.062 86 HB3 SER 14 HB3 SER 14 -1.402 -8.477 7.053 87 HG SER 14 HG SER 14 -2.524 -8.791 4.706 88 H GLY 15 H GLY 15 1.440 -6.366 4.411 89 HA2 GLY 15 HA2 GLY 15 2.767 -6.027 6.935 90 HA3 GLY 15 HA3 GLY 15 3.342 -5.502 5.368 91 HA PRO 16 HA PRO 16 2.456 -1.514 7.199 92 HB2 PRO 16 HB2 PRO 16 3.410 -0.051 5.053 93 HB3 PRO 16 HB3 PRO 16 4.420 -0.668 6.361 94 HG2 PRO 16 HG2 PRO 16 3.957 -1.771 3.635 95 HG3 PRO 16 HG3 PRO 16 5.451 -1.710 4.574 96 HD2 PRO 16 HD2 PRO 16 3.972 -3.957 4.331 97 HD3 PRO 16 HD3 PRO 16 4.914 -3.589 5.790 98 H THR 17 H THR 17 0.337 -1.389 7.204 99 HA THR 17 HA THR 17 -1.091 -0.969 4.702 100 HB THR 17 HB THR 17 -3.094 -1.756 6.143 101 HG1 THR 17 HG1 THR 17 -1.020 -2.975 7.632 102 HG21 THR 17 HG21 THR 17 -2.543 -4.126 5.750 103 HG22 THR 17 HG22 THR 17 -0.849 -3.687 5.498 104 HG23 THR 17 HG23 THR 17 -2.076 -3.120 4.376 105 H VAL 18 H VAL 18 -0.286 0.457 7.722 106 HA VAL 18 HA VAL 18 -2.403 2.446 7.579 107 HB VAL 18 HB VAL 18 -0.087 2.219 9.536 108 HG11 VAL 18 HG11 VAL 18 -1.373 3.784 10.938 109 HG12 VAL 18 HG12 VAL 18 -2.561 3.940 9.642 110 HG13 VAL 18 HG13 VAL 18 -0.907 4.500 9.396 111 HG21 VAL 18 HG21 VAL 18 -1.593 0.317 9.733 112 HG22 VAL 18 HG22 VAL 18 -2.972 1.408 9.855 113 HG23 VAL 18 HG23 VAL 18 -1.760 1.382 11.132 114 H CYS 19 H CYS 19 -2.139 4.097 6.300 115 HA CYS 19 HA CYS 19 0.399 4.741 5.146 116 HB2 CYS 19 HB2 CYS 19 -2.275 6.092 4.829 117 HB3 CYS 19 HB3 CYS 19 -0.854 6.335 3.818 118 H ALA 20 H ALA 20 1.388 6.770 5.148 119 HA ALA 20 HA ALA 20 1.669 7.983 7.673 120 HB1 ALA 20 HB1 ALA 20 2.618 8.965 4.985 121 HB2 ALA 20 HB2 ALA 20 3.481 7.836 6.030 122 HB3 ALA 20 HB3 ALA 20 3.213 9.497 6.557 123 H SER 21 H SER 21 1.572 10.349 7.976 124 HA SER 21 HA SER 21 -1.061 11.270 7.868 125 HB2 SER 21 HB2 SER 21 1.483 12.834 8.322 126 HB3 SER 21 HB3 SER 21 -0.140 13.362 8.764 127 HG SER 21 HG SER 21 1.236 11.078 9.763 128 H GLY 22 H GLY 22 -2.165 12.060 6.202 129 HA2 GLY 22 HA2 GLY 22 -2.482 13.788 4.606 130 HA3 GLY 22 HA3 GLY 22 -0.761 13.728 4.239 131 H THR 23 H THR 23 -1.517 10.609 4.513 132 HA THR 23 HA THR 23 -2.277 10.451 1.694 133 HB THR 23 HB THR 23 -0.910 8.439 1.439 134 HG1 THR 23 HG1 THR 23 -0.430 8.859 4.214 135 HG21 THR 23 HG21 THR 23 0.611 10.699 2.697 136 HG22 THR 23 HG22 THR 23 0.140 10.577 1.001 137 HG23 THR 23 HG23 THR 23 1.307 9.437 1.684 138 H THR 24 H THR 24 -3.563 8.736 1.070 139 HA THR 24 HA THR 24 -4.984 7.415 3.253 140 HB THR 24 HB THR 24 -7.012 7.640 1.746 141 HG1 THR 24 HG1 THR 24 -5.116 9.067 0.222 142 HG21 THR 24 HG21 THR 24 -5.748 10.171 2.815 143 HG22 THR 24 HG22 THR 24 -6.723 9.031 3.744 144 HG23 THR 24 HG23 THR 24 -7.456 9.966 2.444 145 H CYS 25 H CYS 25 -5.495 5.289 2.900 146 HA CYS 25 HA CYS 25 -3.986 3.933 0.892 147 HB2 CYS 25 HB2 CYS 25 -4.279 2.949 3.127 148 HB3 CYS 25 HB3 CYS 25 -6.017 2.870 2.863 149 H GLN 26 H GLN 26 -4.646 4.024 -1.130 150 HA GLN 26 HA GLN 26 -7.504 3.825 -1.689 151 HB2 GLN 26 HB2 GLN 26 -5.215 4.690 -3.456 152 HB3 GLN 26 HB3 GLN 26 -6.915 4.688 -3.903 153 HG2 GLN 26 HG2 GLN 26 -5.653 6.341 -1.735 154 HG3 GLN 26 HG3 GLN 26 -6.156 6.929 -3.315 155 HE21 GLN 26 HE21 GLN 26 -6.987 7.728 -0.668 156 HE22 GLN 26 HE22 GLN 26 -8.709 7.543 -0.641 157 H VAL 27 H VAL 27 -8.131 1.815 -2.084 158 HA VAL 27 HA VAL 27 -6.324 -0.201 -2.995 159 HB VAL 27 HB VAL 27 -9.365 -0.251 -2.837 160 HG11 VAL 27 HG11 VAL 27 -8.490 -2.003 -4.288 161 HG12 VAL 27 HG12 VAL 27 -9.135 -2.689 -2.794 162 HG13 VAL 27 HG13 VAL 27 -7.393 -2.530 -3.010 163 HG21 VAL 27 HG21 VAL 27 -8.390 0.201 -0.657 164 HG22 VAL 27 HG22 VAL 27 -7.308 -1.175 -0.834 165 HG23 VAL 27 HG23 VAL 27 -9.050 -1.435 -0.704 166 H LEU 28 H LEU 28 -5.521 0.164 -4.941 167 HA LEU 28 HA LEU 28 -7.010 1.432 -7.063 168 HB2 LEU 28 HB2 LEU 28 -4.227 0.296 -6.926 169 HB3 LEU 28 HB3 LEU 28 -4.863 1.124 -8.326 170 HG LEU 28 HG LEU 28 -4.479 2.376 -5.595 171 HD11 LEU 28 HD11 LEU 28 -2.668 3.612 -6.680 172 HD12 LEU 28 HD12 LEU 28 -2.905 2.667 -8.150 173 HD13 LEU 28 HD13 LEU 28 -2.361 1.879 -6.668 174 HD21 LEU 28 HD21 LEU 28 -5.226 3.548 -8.246 175 HD22 LEU 28 HD22 LEU 28 -4.916 4.463 -6.765 176 HD23 LEU 28 HD23 LEU 28 -6.316 3.378 -6.862 177 H ASN 29 H ASN 29 -5.892 -1.738 -6.229 178 HA ASN 29 HA ASN 29 -7.540 -2.962 -8.279 179 HB2 ASN 29 HB2 ASN 29 -4.608 -3.655 -7.793 180 HB3 ASN 29 HB3 ASN 29 -5.704 -4.533 -8.832 181 HD21 ASN 29 HD21 ASN 29 -3.795 -1.684 -8.480 182 HD22 ASN 29 HD22 ASN 29 -3.828 -1.183 -10.127 183 HA PRO 30 HA PRO 30 -8.542 -5.648 -4.884 184 HB2 PRO 30 HB2 PRO 30 -7.440 -8.007 -6.345 185 HB3 PRO 30 HB3 PRO 30 -9.023 -7.792 -5.588 186 HG2 PRO 30 HG2 PRO 30 -8.812 -7.645 -8.211 187 HG3 PRO 30 HG3 PRO 30 -9.829 -6.486 -7.335 188 HD2 PRO 30 HD2 PRO 30 -7.092 -6.099 -8.488 189 HD3 PRO 30 HD3 PRO 30 -8.484 -4.994 -8.492 190 H TYR 31 H TYR 31 -5.302 -6.283 -6.225 191 HA TYR 31 HA TYR 31 -4.486 -7.062 -3.508 192 HB2 TYR 31 HB2 TYR 31 -3.010 -7.532 -6.105 193 HB3 TYR 31 HB3 TYR 31 -2.594 -8.168 -4.521 194 HD1 TYR 31 HD1 TYR 31 -4.001 -9.931 -3.500 195 HD2 TYR 31 HD2 TYR 31 -4.709 -8.565 -7.449 196 HE1 TYR 31 HE1 TYR 31 -5.377 -11.904 -3.930 197 HE2 TYR 31 HE2 TYR 31 -6.092 -10.538 -7.889 198 HH TYR 31 HH TYR 31 -7.140 -12.565 -5.386 199 H TYR 32 H TYR 32 -4.003 -4.772 -6.081 200 HA TYR 32 HA TYR 32 -1.745 -3.625 -4.667 201 HB2 TYR 32 HB2 TYR 32 -1.598 -3.915 -7.123 202 HB3 TYR 32 HB3 TYR 32 -2.917 -2.769 -7.308 203 HD1 TYR 32 HD1 TYR 32 -2.317 -0.598 -7.877 204 HD2 TYR 32 HD2 TYR 32 0.363 -2.960 -5.547 205 HE1 TYR 32 HE1 TYR 32 -0.683 1.205 -7.930 206 HE2 TYR 32 HE2 TYR 32 2.001 -1.138 -5.578 207 HH TYR 32 HH TYR 32 2.541 0.741 -6.994 208 H SER 33 H SER 33 -2.152 -2.241 -3.124 209 HA SER 33 HA SER 33 -4.214 -0.207 -3.541 210 HB2 SER 33 HB2 SER 33 -3.324 -1.429 -0.909 211 HB3 SER 33 HB3 SER 33 -4.601 -0.237 -1.130 212 HG SER 33 HG SER 33 -5.183 -2.555 -0.909 213 H GLN 34 H GLN 34 -3.473 1.912 -2.911 214 HA GLN 34 HA GLN 34 -0.673 2.032 -2.109 215 HB2 GLN 34 HB2 GLN 34 -0.445 2.117 -4.440 216 HB3 GLN 34 HB3 GLN 34 -1.840 3.163 -4.626 217 HG2 GLN 34 HG2 GLN 34 -0.659 5.033 -3.850 218 HG3 GLN 34 HG3 GLN 34 0.694 4.043 -3.277 219 HE21 GLN 34 HE21 GLN 34 2.193 3.322 -4.768 220 HE22 GLN 34 HE22 GLN 34 2.250 3.901 -6.377 221 H CYS 35 H CYS 35 -0.128 3.682 -0.818 222 HA CYS 35 HA CYS 35 -2.242 5.302 0.248 223 HB2 CYS 35 HB2 CYS 35 0.727 5.606 0.771 224 HB3 CYS 35 HB3 CYS 35 -0.626 6.265 1.682 225 H LEU 36 H LEU 36 -2.984 6.853 -0.918 226 HA LEU 36 HA LEU 36 -1.147 8.572 -2.375 227 HB2 LEU 36 HB2 LEU 36 -4.089 8.024 -2.784 228 HB3 LEU 36 HB3 LEU 36 -3.178 9.239 -3.660 229 HG LEU 36 HG LEU 36 -2.588 6.278 -3.757 230 HD11 LEU 36 HD11 LEU 36 -3.501 6.353 -5.994 231 HD12 LEU 36 HD12 LEU 36 -3.966 8.045 -5.767 232 HD13 LEU 36 HD13 LEU 36 -4.727 6.773 -4.798 233 HD21 LEU 36 HD21 LEU 36 -1.183 6.902 -5.669 234 HD22 LEU 36 HD22 LEU 36 -0.625 7.628 -4.171 235 HD23 LEU 36 HD23 LEU 36 -1.510 8.602 -5.348 236 H2 BGC 101 H2 BGC 101 8.344 2.817 0.695 237 H3 BGC 101 H3 BGC 101 6.020 1.065 1.560 238 H4 BGC 101 H4 BGC 101 8.990 1.091 2.232 239 H5 BGC 101 H5 BGC 101 6.474 1.705 3.895 240 H6C1 BGC 101 H61 BGC 101 9.441 2.024 4.474 241 H6C2 BGC 101 H62 BGC 101 8.360 0.859 5.259 242 H1 BGC 101 H1 BGC 101 5.737 3.309 2.145 243 HB BGC 101 HO2 BGC 101 6.693 3.782 -0.579 244 HC BGC 101 HO3 BGC 101 6.792 0.546 -0.503 245 HD BGC 101 HO4 BGC 101 7.940 -1.004 2.207 246 H6 BGC 101 HO6 BGC 101 7.320 2.455 6.302 Start of MODEL 16 1 H1 THR 1 H1 THR 1 4.359 1.515 9.328 2 H2 THR 1 H2 THR 1 4.302 2.724 10.548 3 H3 THR 1 H3 THR 1 5.423 2.819 9.304 4 HA THR 1 HA THR 1 2.545 2.970 8.885 5 HB THR 1 HB THR 1 4.597 5.205 8.957 6 HG1 THR 1 HG1 THR 1 3.259 5.643 10.980 7 HG21 THR 1 HG21 THR 1 2.605 6.625 9.089 8 HG22 THR 1 HG22 THR 1 1.575 5.197 9.044 9 HG23 THR 1 HG23 THR 1 2.558 5.621 7.642 10 H GLN 2 H GLN 2 2.054 3.428 6.670 11 HA GLN 2 HA GLN 2 4.205 2.699 4.873 12 HB2 GLN 2 HB2 GLN 2 2.050 1.432 4.877 13 HB3 GLN 2 HB3 GLN 2 1.252 2.883 4.308 14 HG2 GLN 2 HG2 GLN 2 1.701 1.254 2.509 15 HG3 GLN 2 HG3 GLN 2 2.467 2.810 2.237 16 HE21 GLN 2 HE21 GLN 2 3.031 -0.060 1.406 17 HE22 GLN 2 HE22 GLN 2 4.698 -0.275 1.728 18 H SER 3 H SER 3 5.205 4.164 3.827 19 HA SER 3 HA SER 3 4.512 6.872 3.849 20 HB2 SER 3 HB2 SER 3 6.523 7.226 2.596 21 HB3 SER 3 HB3 SER 3 6.835 5.991 3.799 22 H HIS 4 H HIS 4 4.855 8.083 1.601 23 HA HIS 4 HA HIS 4 2.409 7.728 0.223 24 HB2 HIS 4 HB2 HIS 4 3.775 9.891 0.676 25 HB3 HIS 4 HB3 HIS 4 4.733 9.408 -0.713 26 HD1 HIS 4 HD1 HIS 4 3.883 11.708 -1.807 27 HD2 HIS 4 HD2 HIS 4 0.951 8.855 -1.100 28 HE1 HIS 4 HE1 HIS 4 1.852 12.520 -2.987 29 HE2 HIS 4 HE2 HIS 4 0.055 11.006 -2.130 30 H TYR 5 H TYR 5 2.002 6.688 -1.645 31 HA TYR 5 HA TYR 5 2.173 5.598 -3.552 32 HB2 TYR 5 HB2 TYR 5 5.134 6.212 -3.533 33 HB3 TYR 5 HB3 TYR 5 4.309 5.368 -4.838 34 HD1 TYR 5 HD1 TYR 5 5.157 8.531 -3.427 35 HD2 TYR 5 HD2 TYR 5 2.456 6.593 -6.064 36 HE1 TYR 5 HE1 TYR 5 4.596 10.681 -4.411 37 HE2 TYR 5 HE2 TYR 5 1.879 8.761 -7.074 38 HH TYR 5 HH TYR 5 3.710 11.576 -6.395 39 H GLY 6 H GLY 6 3.296 4.570 -0.732 40 HA2 GLY 6 HA2 GLY 6 4.323 2.034 -1.616 41 HA3 GLY 6 HA3 GLY 6 3.959 2.506 0.040 42 H GLN 7 H GLN 7 3.272 0.041 -1.409 43 HA GLN 7 HA GLN 7 0.421 0.135 -1.737 44 HB2 GLN 7 HB2 GLN 7 1.912 -1.467 -2.987 45 HB3 GLN 7 HB3 GLN 7 2.286 -2.244 -1.460 46 HG2 GLN 7 HG2 GLN 7 -0.080 -2.882 -1.210 47 HG3 GLN 7 HG3 GLN 7 -0.437 -2.080 -2.729 48 HE21 GLN 7 HE21 GLN 7 -0.787 -4.903 -2.086 49 HE22 GLN 7 HE22 GLN 7 0.157 -5.759 -3.237 50 H CYS 8 H CYS 8 -0.853 0.272 0.012 51 HA CYS 8 HA CYS 8 0.265 -0.111 2.621 52 HB2 CYS 8 HB2 CYS 8 -1.816 0.614 3.531 53 HB3 CYS 8 HB3 CYS 8 -1.568 1.577 2.084 54 H GLY 9 H GLY 9 -2.000 -1.902 0.614 55 HA2 GLY 9 HA2 GLY 9 -1.305 -4.351 1.300 56 HA3 GLY 9 HA3 GLY 9 -2.246 -3.873 2.702 57 H GLY 10 H GLY 10 -2.289 -5.131 -0.353 58 HA2 GLY 10 HA2 GLY 10 -5.188 -4.885 -0.620 59 HA3 GLY 10 HA3 GLY 10 -4.063 -5.507 -1.824 60 H ILE 11 H ILE 11 -5.584 -7.332 -1.837 61 HA ILE 11 HA ILE 11 -5.884 -9.134 0.271 62 HB ILE 11 HB ILE 11 -5.677 -9.735 -2.692 63 HG12 ILE 11 HG12 ILE 11 -8.122 -9.297 -0.975 64 HG13 ILE 11 HG13 ILE 11 -7.455 -8.107 -2.092 65 HG21 ILE 11 HG21 ILE 11 -5.361 -11.737 -1.399 66 HG22 ILE 11 HG22 ILE 11 -6.940 -11.769 -2.187 67 HG23 ILE 11 HG23 ILE 11 -6.819 -11.406 -0.457 68 HD11 ILE 11 HD11 ILE 11 -7.918 -9.615 -3.953 69 HD12 ILE 11 HD12 ILE 11 -9.379 -9.251 -3.036 70 HD13 ILE 11 HD13 ILE 11 -8.571 -10.806 -2.829 71 H GLY 12 H GLY 12 -4.203 -9.990 1.446 72 HA2 GLY 12 HA2 GLY 12 -2.659 -11.762 1.646 73 HA3 GLY 12 HA3 GLY 12 -2.278 -11.597 -0.057 74 H TYR 13 H TYR 13 -2.308 -8.582 1.267 75 HA TYR 13 HA TYR 13 0.610 -8.635 1.518 76 HB2 TYR 13 HB2 TYR 13 -0.414 -7.048 -0.128 77 HB3 TYR 13 HB3 TYR 13 -1.266 -6.280 1.200 78 HD1 TYR 13 HD1 TYR 13 1.791 -6.416 -0.700 79 HD2 TYR 13 HD2 TYR 13 0.130 -5.088 2.971 80 HE1 TYR 13 HE1 TYR 13 3.695 -4.887 -0.396 81 HE2 TYR 13 HE2 TYR 13 1.983 -3.573 3.301 82 HH TYR 13 HH TYR 13 4.469 -3.538 2.474 83 H SER 14 H SER 14 1.345 -8.770 3.524 84 HA SER 14 HA SER 14 -0.369 -7.941 5.743 85 HB2 SER 14 HB2 SER 14 1.182 -9.563 6.971 86 HB3 SER 14 HB3 SER 14 0.020 -10.248 5.829 87 HG SER 14 HG SER 14 1.798 -11.192 5.246 88 H GLY 15 H GLY 15 1.540 -6.191 4.240 89 HA2 GLY 15 HA2 GLY 15 3.679 -5.730 6.178 90 HA3 GLY 15 HA3 GLY 15 3.526 -4.961 4.604 91 HA PRO 16 HA PRO 16 2.253 -1.786 7.702 92 HB2 PRO 16 HB2 PRO 16 3.250 0.348 6.291 93 HB3 PRO 16 HB3 PRO 16 4.204 -0.587 7.441 94 HG2 PRO 16 HG2 PRO 16 4.168 -0.737 4.455 95 HG3 PRO 16 HG3 PRO 16 5.523 -0.903 5.575 96 HD2 PRO 16 HD2 PRO 16 4.282 -3.014 4.374 97 HD3 PRO 16 HD3 PRO 16 5.115 -3.124 5.934 98 H THR 17 H THR 17 0.109 -1.623 7.501 99 HA THR 17 HA THR 17 -1.046 -1.049 4.909 100 HB THR 17 HB THR 17 -3.194 -1.730 6.083 101 HG1 THR 17 HG1 THR 17 -2.203 -3.226 7.938 102 HG21 THR 17 HG21 THR 17 -0.930 -3.745 5.989 103 HG22 THR 17 HG22 THR 17 -1.901 -3.250 4.629 104 HG23 THR 17 HG23 THR 17 -2.653 -4.140 5.961 105 H VAL 18 H VAL 18 -0.662 0.419 8.022 106 HA VAL 18 HA VAL 18 -2.657 2.442 7.456 107 HB VAL 18 HB VAL 18 -0.631 2.334 9.724 108 HG11 VAL 18 HG11 VAL 18 -1.358 4.623 9.288 109 HG12 VAL 18 HG12 VAL 18 -2.027 4.040 10.811 110 HG13 VAL 18 HG13 VAL 18 -3.048 4.114 9.375 111 HG21 VAL 18 HG21 VAL 18 -2.226 0.493 9.832 112 HG22 VAL 18 HG22 VAL 18 -3.565 1.631 9.684 113 HG23 VAL 18 HG23 VAL 18 -2.539 1.665 11.116 114 H CYS 19 H CYS 19 -2.309 4.178 6.310 115 HA CYS 19 HA CYS 19 0.314 4.663 5.241 116 HB2 CYS 19 HB2 CYS 19 -2.253 6.192 4.796 117 HB3 CYS 19 HB3 CYS 19 -0.792 6.276 3.823 118 H ALA 20 H ALA 20 1.208 6.827 5.195 119 HA ALA 20 HA ALA 20 1.421 7.899 7.815 120 HB1 ALA 20 HB1 ALA 20 3.006 9.466 6.835 121 HB2 ALA 20 HB2 ALA 20 2.507 8.974 5.216 122 HB3 ALA 20 HB3 ALA 20 3.324 7.822 6.276 123 H SER 21 H SER 21 1.176 10.203 8.317 124 HA SER 21 HA SER 21 -1.385 11.129 7.874 125 HB2 SER 21 HB2 SER 21 -0.362 13.239 8.910 126 HB3 SER 21 HB3 SER 21 -0.246 11.753 9.856 127 HG SER 21 HG SER 21 1.752 12.961 8.255 128 H GLY 22 H GLY 22 -2.220 12.175 6.195 129 HA2 GLY 22 HA2 GLY 22 -2.193 13.899 4.571 130 HA3 GLY 22 HA3 GLY 22 -0.447 13.729 4.463 131 H THR 23 H THR 23 -1.664 10.650 4.556 132 HA THR 23 HA THR 23 -2.102 10.578 1.667 133 HB THR 23 HB THR 23 -0.778 8.499 1.473 134 HG1 THR 23 HG1 THR 23 -0.506 8.895 4.232 135 HG21 THR 23 HG21 THR 23 0.796 10.785 2.658 136 HG22 THR 23 HG22 THR 23 0.333 10.608 0.965 137 HG23 THR 23 HG23 THR 23 1.469 9.471 1.693 138 H THR 24 H THR 24 -3.489 8.995 0.944 139 HA THR 24 HA THR 24 -4.889 7.469 3.023 140 HB THR 24 HB THR 24 -6.940 7.770 1.544 141 HG1 THR 24 HG1 THR 24 -5.083 9.321 0.143 142 HG21 THR 24 HG21 THR 24 -7.463 10.023 2.407 143 HG22 THR 24 HG22 THR 24 -5.758 10.260 2.799 144 HG23 THR 24 HG23 THR 24 -6.694 9.025 3.640 145 H CYS 25 H CYS 25 -5.116 5.300 2.533 146 HA CYS 25 HA CYS 25 -3.775 4.371 0.163 147 HB2 CYS 25 HB2 CYS 25 -3.653 3.085 2.322 148 HB3 CYS 25 HB3 CYS 25 -5.358 2.688 2.096 149 H GLN 26 H GLN 26 -4.569 4.323 -1.701 150 HA GLN 26 HA GLN 26 -7.439 4.134 -2.046 151 HB2 GLN 26 HB2 GLN 26 -5.246 4.904 -3.967 152 HB3 GLN 26 HB3 GLN 26 -6.975 4.980 -4.288 153 HG2 GLN 26 HG2 GLN 26 -5.513 6.548 -2.183 154 HG3 GLN 26 HG3 GLN 26 -6.061 7.180 -3.731 155 HE21 GLN 26 HE21 GLN 26 -6.737 7.927 -0.970 156 HE22 GLN 26 HE22 GLN 26 -8.456 7.790 -0.858 157 H VAL 27 H VAL 27 -8.243 2.290 -2.628 158 HA VAL 27 HA VAL 27 -6.589 0.072 -3.365 159 HB VAL 27 HB VAL 27 -9.618 0.304 -3.323 160 HG11 VAL 27 HG11 VAL 27 -9.607 -2.153 -3.253 161 HG12 VAL 27 HG12 VAL 27 -7.845 -2.135 -3.374 162 HG13 VAL 27 HG13 VAL 27 -8.816 -1.546 -4.712 163 HG21 VAL 27 HG21 VAL 27 -9.508 -0.824 -1.155 164 HG22 VAL 27 HG22 VAL 27 -8.646 0.718 -1.117 165 HG23 VAL 27 HG23 VAL 27 -7.747 -0.794 -1.228 166 H LEU 28 H LEU 28 -5.718 0.291 -5.270 167 HA LEU 28 HA LEU 28 -7.160 1.468 -7.497 168 HB2 LEU 28 HB2 LEU 28 -4.373 0.318 -7.342 169 HB3 LEU 28 HB3 LEU 28 -5.026 1.200 -8.708 170 HG LEU 28 HG LEU 28 -4.554 2.368 -5.953 171 HD11 LEU 28 HD11 LEU 28 -2.753 3.621 -7.029 172 HD12 LEU 28 HD12 LEU 28 -3.012 2.698 -8.515 173 HD13 LEU 28 HD13 LEU 28 -2.473 1.882 -7.042 174 HD21 LEU 28 HD21 LEU 28 -4.971 4.504 -7.029 175 HD22 LEU 28 HD22 LEU 28 -6.394 3.455 -7.139 176 HD23 LEU 28 HD23 LEU 28 -5.328 3.673 -8.539 177 H ASN 29 H ASN 29 -5.857 -1.607 -6.476 178 HA ASN 29 HA ASN 29 -7.554 -3.008 -8.417 179 HB2 ASN 29 HB2 ASN 29 -4.688 -3.855 -7.689 180 HB3 ASN 29 HB3 ASN 29 -5.806 -4.763 -8.667 181 HD21 ASN 29 HD21 ASN 29 -5.186 -1.316 -9.020 182 HD22 ASN 29 HD22 ASN 29 -4.418 -1.415 -10.559 183 HA PRO 30 HA PRO 30 -8.764 -5.180 -4.710 184 HB2 PRO 30 HB2 PRO 30 -7.993 -7.792 -5.926 185 HB3 PRO 30 HB3 PRO 30 -9.534 -7.296 -5.221 186 HG2 PRO 30 HG2 PRO 30 -9.289 -7.479 -7.846 187 HG3 PRO 30 HG3 PRO 30 -10.178 -6.124 -7.125 188 HD2 PRO 30 HD2 PRO 30 -7.401 -6.194 -8.234 189 HD3 PRO 30 HD3 PRO 30 -8.641 -4.944 -8.441 190 H TYR 31 H TYR 31 -5.736 -6.286 -6.130 191 HA TYR 31 HA TYR 31 -4.731 -6.969 -3.450 192 HB2 TYR 31 HB2 TYR 31 -3.594 -7.431 -6.212 193 HB3 TYR 31 HB3 TYR 31 -2.725 -7.801 -4.735 194 HD1 TYR 31 HD1 TYR 31 -6.058 -8.566 -6.310 195 HD2 TYR 31 HD2 TYR 31 -2.766 -9.980 -4.031 196 HE1 TYR 31 HE1 TYR 31 -7.035 -10.831 -6.306 197 HE2 TYR 31 HE2 TYR 31 -3.724 -12.231 -4.020 198 HH TYR 31 HH TYR 31 -5.728 -13.324 -4.296 199 H TYR 32 H TYR 32 -4.419 -4.564 -5.969 200 HA TYR 32 HA TYR 32 -2.057 -3.507 -4.641 201 HB2 TYR 32 HB2 TYR 32 -2.013 -3.794 -7.118 202 HB3 TYR 32 HB3 TYR 32 -3.239 -2.534 -7.235 203 HD1 TYR 32 HD1 TYR 32 -2.457 -0.450 -7.801 204 HD2 TYR 32 HD2 TYR 32 0.038 -3.022 -5.517 205 HE1 TYR 32 HE1 TYR 32 -0.695 1.253 -7.818 206 HE2 TYR 32 HE2 TYR 32 1.815 -1.327 -5.524 207 HH TYR 32 HH TYR 32 1.307 1.866 -6.532 208 H SER 33 H SER 33 -2.347 -2.110 -3.108 209 HA SER 33 HA SER 33 -4.382 -0.041 -3.435 210 HB2 SER 33 HB2 SER 33 -3.718 -1.543 -0.874 211 HB3 SER 33 HB3 SER 33 -4.933 -0.266 -1.056 212 HG SER 33 HG SER 33 -5.480 -2.064 -2.884 213 H GLN 34 H GLN 34 -3.398 1.921 -3.319 214 HA GLN 34 HA GLN 34 -0.670 1.999 -2.204 215 HB2 GLN 34 HB2 GLN 34 -0.417 2.029 -4.564 216 HB3 GLN 34 HB3 GLN 34 -1.741 3.154 -4.772 217 HG2 GLN 34 HG2 GLN 34 -0.429 4.955 -3.889 218 HG3 GLN 34 HG3 GLN 34 0.882 3.844 -3.470 219 HE21 GLN 34 HE21 GLN 34 2.307 3.211 -5.064 220 HE22 GLN 34 HE22 GLN 34 2.278 3.867 -6.657 221 H CYS 35 H CYS 35 -0.155 3.613 -0.850 222 HA CYS 35 HA CYS 35 -2.213 5.381 0.105 223 HB2 CYS 35 HB2 CYS 35 0.735 5.412 0.791 224 HB3 CYS 35 HB3 CYS 35 -0.586 6.188 1.658 225 H LEU 36 H LEU 36 -2.838 7.037 -0.962 226 HA LEU 36 HA LEU 36 -0.880 8.698 -2.339 227 HB2 LEU 36 HB2 LEU 36 -3.785 8.176 -2.971 228 HB3 LEU 36 HB3 LEU 36 -2.790 9.372 -3.784 229 HG LEU 36 HG LEU 36 -2.277 6.396 -3.829 230 HD11 LEU 36 HD11 LEU 36 -3.461 8.201 -5.935 231 HD12 LEU 36 HD12 LEU 36 -4.326 6.971 -5.010 232 HD13 LEU 36 HD13 LEU 36 -3.049 6.495 -6.131 233 HD21 LEU 36 HD21 LEU 36 -0.704 6.957 -5.621 234 HD22 LEU 36 HD22 LEU 36 -0.245 7.725 -4.104 235 HD23 LEU 36 HD23 LEU 36 -1.029 8.670 -5.373 236 H2 BGC 101 H2 BGC 101 8.342 3.469 0.831 237 H3 BGC 101 H3 BGC 101 6.103 1.496 1.330 238 H4 BGC 101 H4 BGC 101 9.015 1.627 2.229 239 H5 BGC 101 H5 BGC 101 6.356 1.883 3.780 240 H6C1 BGC 101 H61 BGC 101 9.277 2.147 4.604 241 H6C2 BGC 101 H62 BGC 101 8.100 0.966 5.226 242 H1 BGC 101 H1 BGC 101 5.632 3.665 2.189 243 HB BGC 101 HO2 BGC 101 6.755 4.473 -0.432 244 HC BGC 101 HO3 BGC 101 7.129 1.364 -0.710 245 HD BGC 101 HO4 BGC 101 8.174 -0.474 1.813 246 H6 BGC 101 HO6 BGC 101 6.858 2.779 6.081 Start of MODEL 17 1 H1 THR 1 H1 THR 1 4.834 2.465 10.029 2 H2 THR 1 H2 THR 1 5.873 2.861 8.742 3 H3 THR 1 H3 THR 1 4.972 1.453 8.669 4 HA THR 1 HA THR 1 2.956 2.778 8.571 5 HB THR 1 HB THR 1 4.852 5.147 8.499 6 HG1 THR 1 HG1 THR 1 3.228 4.712 10.734 7 HG21 THR 1 HG21 THR 1 2.811 6.427 8.958 8 HG22 THR 1 HG22 THR 1 1.878 4.933 9.002 9 HG23 THR 1 HG23 THR 1 2.617 5.467 7.489 10 H GLN 2 H GLN 2 2.247 3.024 6.402 11 HA GLN 2 HA GLN 2 4.281 2.441 4.469 12 HB2 GLN 2 HB2 GLN 2 2.092 1.250 4.453 13 HB3 GLN 2 HB3 GLN 2 1.303 2.767 4.075 14 HG2 GLN 2 HG2 GLN 2 1.633 1.360 2.086 15 HG3 GLN 2 HG3 GLN 2 2.444 2.921 1.974 16 HE21 GLN 2 HE21 GLN 2 2.877 -0.494 2.268 17 HE22 GLN 2 HE22 GLN 2 4.566 -0.519 1.926 18 H SER 3 H SER 3 5.204 3.899 3.207 19 HA SER 3 HA SER 3 4.531 6.622 3.553 20 HB2 SER 3 HB2 SER 3 6.514 7.108 2.340 21 HB3 SER 3 HB3 SER 3 6.884 5.766 3.400 22 H HIS 4 H HIS 4 4.576 8.025 1.539 23 HA HIS 4 HA HIS 4 2.225 7.632 0.068 24 HB2 HIS 4 HB2 HIS 4 3.476 9.801 0.645 25 HB3 HIS 4 HB3 HIS 4 4.538 9.420 -0.696 26 HD1 HIS 4 HD1 HIS 4 3.719 11.733 -1.678 27 HD2 HIS 4 HD2 HIS 4 0.779 8.820 -1.386 28 HE1 HIS 4 HE1 HIS 4 1.814 12.570 -3.042 29 HE2 HIS 4 HE2 HIS 4 0.083 10.804 -2.948 30 H TYR 5 H TYR 5 1.833 6.583 -1.809 31 HA TYR 5 HA TYR 5 2.005 5.459 -3.673 32 HB2 TYR 5 HB2 TYR 5 4.829 6.503 -3.845 33 HB3 TYR 5 HB3 TYR 5 4.166 5.407 -5.036 34 HD1 TYR 5 HD1 TYR 5 3.869 8.812 -3.633 35 HD2 TYR 5 HD2 TYR 5 2.593 6.138 -6.681 36 HE1 TYR 5 HE1 TYR 5 2.854 10.685 -4.855 37 HE2 TYR 5 HE2 TYR 5 1.573 8.005 -7.907 38 HH TYR 5 HH TYR 5 0.741 10.211 -7.516 39 H GLY 6 H GLY 6 2.993 4.447 -0.949 40 HA2 GLY 6 HA2 GLY 6 4.246 1.990 -1.894 41 HA3 GLY 6 HA3 GLY 6 4.020 2.475 -0.215 42 H GLN 7 H GLN 7 3.347 -0.057 -1.189 43 HA GLN 7 HA GLN 7 0.538 -0.176 -1.700 44 HB2 GLN 7 HB2 GLN 7 2.075 -1.842 -2.616 45 HB3 GLN 7 HB3 GLN 7 2.503 -2.361 -0.996 46 HG2 GLN 7 HG2 GLN 7 0.175 -3.116 -0.662 47 HG3 GLN 7 HG3 GLN 7 -0.195 -2.632 -2.312 48 HE21 GLN 7 HE21 GLN 7 -0.728 -4.854 -2.916 49 HE22 GLN 7 HE22 GLN 7 0.533 -5.970 -3.158 50 H CYS 8 H CYS 8 -0.883 0.208 -0.226 51 HA CYS 8 HA CYS 8 -0.218 0.056 2.604 52 HB2 CYS 8 HB2 CYS 8 -2.404 1.210 2.917 53 HB3 CYS 8 HB3 CYS 8 -1.227 2.082 1.941 54 H GLY 9 H GLY 9 -1.224 -2.229 0.680 55 HA2 GLY 9 HA2 GLY 9 -1.812 -4.285 1.940 56 HA3 GLY 9 HA3 GLY 9 -2.952 -3.283 2.819 57 H GLY 10 H GLY 10 -2.254 -4.881 -0.139 58 HA2 GLY 10 HA2 GLY 10 -5.075 -4.672 -0.930 59 HA3 GLY 10 HA3 GLY 10 -3.742 -5.314 -1.893 60 H ILE 11 H ILE 11 -5.559 -7.046 -1.955 61 HA ILE 11 HA ILE 11 -5.692 -8.816 0.231 62 HB ILE 11 HB ILE 11 -5.921 -9.442 -2.738 63 HG12 ILE 11 HG12 ILE 11 -8.109 -8.863 -0.723 64 HG13 ILE 11 HG13 ILE 11 -7.519 -7.716 -1.919 65 HG21 ILE 11 HG21 ILE 11 -7.192 -11.430 -2.013 66 HG22 ILE 11 HG22 ILE 11 -6.859 -11.020 -0.330 67 HG23 ILE 11 HG23 ILE 11 -5.535 -11.457 -1.407 68 HD11 ILE 11 HD11 ILE 11 -8.871 -10.337 -2.491 69 HD12 ILE 11 HD12 ILE 11 -8.282 -9.199 -3.703 70 HD13 ILE 11 HD13 ILE 11 -9.603 -8.739 -2.625 71 H GLY 12 H GLY 12 -4.114 -10.040 1.048 72 HA2 GLY 12 HA2 GLY 12 -2.399 -11.648 0.897 73 HA3 GLY 12 HA3 GLY 12 -2.027 -11.068 -0.717 74 H TYR 13 H TYR 13 -2.330 -8.337 1.068 75 HA TYR 13 HA TYR 13 0.516 -8.425 1.803 76 HB2 TYR 13 HB2 TYR 13 -0.064 -6.822 -0.052 77 HB3 TYR 13 HB3 TYR 13 -1.106 -5.969 1.070 78 HD1 TYR 13 HD1 TYR 13 -0.122 -4.554 2.850 79 HD2 TYR 13 HD2 TYR 13 2.351 -6.685 0.120 80 HE1 TYR 13 HE1 TYR 13 1.789 -3.193 3.530 81 HE2 TYR 13 HE2 TYR 13 4.281 -5.321 0.804 82 HH TYR 13 HH TYR 13 4.660 -3.069 1.799 83 H SER 14 H SER 14 0.828 -8.450 3.905 84 HA SER 14 HA SER 14 -1.282 -7.381 5.637 85 HB2 SER 14 HB2 SER 14 0.626 -9.571 6.166 86 HB3 SER 14 HB3 SER 14 -0.760 -9.136 7.174 87 HG SER 14 HG SER 14 -2.116 -10.035 5.728 88 H GLY 15 H GLY 15 1.531 -6.436 4.520 89 HA2 GLY 15 HA2 GLY 15 3.064 -5.942 6.908 90 HA3 GLY 15 HA3 GLY 15 3.398 -5.307 5.304 91 HA PRO 16 HA PRO 16 2.155 -1.613 7.732 92 HB2 PRO 16 HB2 PRO 16 3.228 0.196 5.938 93 HB3 PRO 16 HB3 PRO 16 4.110 -0.509 7.291 94 HG2 PRO 16 HG2 PRO 16 4.126 -1.290 4.414 95 HG3 PRO 16 HG3 PRO 16 5.469 -1.233 5.568 96 HD2 PRO 16 HD2 PRO 16 4.281 -3.535 4.852 97 HD3 PRO 16 HD3 PRO 16 4.932 -3.286 6.487 98 H THR 17 H THR 17 0.056 -1.500 7.506 99 HA THR 17 HA THR 17 -1.148 -1.023 4.900 100 HB THR 17 HB THR 17 -3.284 -1.549 6.211 101 HG1 THR 17 HG1 THR 17 -2.764 -1.431 8.306 102 HG21 THR 17 HG21 THR 17 -1.142 -3.686 6.052 103 HG22 THR 17 HG22 THR 17 -2.159 -3.170 4.713 104 HG23 THR 17 HG23 THR 17 -2.885 -3.971 6.109 105 H VAL 18 H VAL 18 -0.489 0.455 7.893 106 HA VAL 18 HA VAL 18 -2.412 2.590 7.591 107 HB VAL 18 HB VAL 18 -0.153 2.231 9.598 108 HG11 VAL 18 HG11 VAL 18 -1.219 4.012 10.892 109 HG12 VAL 18 HG12 VAL 18 -2.419 4.216 9.619 110 HG13 VAL 18 HG13 VAL 18 -0.726 4.601 9.300 111 HG21 VAL 18 HG21 VAL 18 -3.125 1.814 9.882 112 HG22 VAL 18 HG22 VAL 18 -1.941 1.668 11.179 113 HG23 VAL 18 HG23 VAL 18 -1.905 0.547 9.818 114 H CYS 19 H CYS 19 -2.047 4.215 6.319 115 HA CYS 19 HA CYS 19 0.495 4.676 5.064 116 HB2 CYS 19 HB2 CYS 19 -2.125 6.158 4.848 117 HB3 CYS 19 HB3 CYS 19 -0.723 6.358 3.802 118 H ALA 20 H ALA 20 1.483 6.710 5.011 119 HA ALA 20 HA ALA 20 1.930 8.024 7.435 120 HB1 ALA 20 HB1 ALA 20 3.085 9.711 6.082 121 HB2 ALA 20 HB2 ALA 20 2.339 9.049 4.627 122 HB3 ALA 20 HB3 ALA 20 3.487 8.080 5.546 123 H SER 21 H SER 21 1.263 10.077 8.173 124 HA SER 21 HA SER 21 -1.471 10.634 7.811 125 HB2 SER 21 HB2 SER 21 -0.142 11.134 9.899 126 HB3 SER 21 HB3 SER 21 0.634 12.455 9.028 127 HG SER 21 HG SER 21 -2.040 12.154 9.824 128 H GLY 22 H GLY 22 -2.429 11.697 6.235 129 HA2 GLY 22 HA2 GLY 22 -2.576 13.713 4.895 130 HA3 GLY 22 HA3 GLY 22 -0.835 13.588 4.638 131 H THR 23 H THR 23 -1.272 10.582 4.473 132 HA THR 23 HA THR 23 -2.178 10.612 1.693 133 HB THR 23 HB THR 23 -0.768 8.683 1.267 134 HG1 THR 23 HG1 THR 23 -0.342 8.809 4.068 135 HG21 THR 23 HG21 THR 23 0.758 10.885 2.659 136 HG22 THR 23 HG22 THR 23 0.249 10.873 0.968 137 HG23 THR 23 HG23 THR 23 1.451 9.714 1.538 138 H THR 24 H THR 24 -3.560 8.994 1.002 139 HA THR 24 HA THR 24 -4.826 7.557 3.223 140 HB THR 24 HB THR 24 -6.964 7.761 1.916 141 HG1 THR 24 HG1 THR 24 -5.264 9.291 0.218 142 HG21 THR 24 HG21 THR 24 -7.386 10.095 2.595 143 HG22 THR 24 HG22 THR 24 -5.651 10.350 2.766 144 HG23 THR 24 HG23 THR 24 -6.481 9.219 3.831 145 H CYS 25 H CYS 25 -5.482 5.433 2.863 146 HA CYS 25 HA CYS 25 -3.957 4.073 0.879 147 HB2 CYS 25 HB2 CYS 25 -4.344 3.077 3.098 148 HB3 CYS 25 HB3 CYS 25 -6.072 3.016 2.776 149 H GLN 26 H GLN 26 -4.555 4.148 -1.178 150 HA GLN 26 HA GLN 26 -7.395 4.090 -1.875 151 HB2 GLN 26 HB2 GLN 26 -4.952 4.767 -3.527 152 HB3 GLN 26 HB3 GLN 26 -6.609 4.822 -4.094 153 HG2 GLN 26 HG2 GLN 26 -5.480 6.521 -1.883 154 HG3 GLN 26 HG3 GLN 26 -5.690 7.034 -3.556 155 HE21 GLN 26 HE21 GLN 26 -6.812 8.072 -1.088 156 HE22 GLN 26 HE22 GLN 26 -8.530 8.071 -1.343 157 H VAL 27 H VAL 27 -8.070 2.057 -2.213 158 HA VAL 27 HA VAL 27 -6.266 0.005 -3.058 159 HB VAL 27 HB VAL 27 -9.307 -0.046 -2.886 160 HG11 VAL 27 HG11 VAL 27 -8.410 -1.816 -4.312 161 HG12 VAL 27 HG12 VAL 27 -9.080 -2.473 -2.821 162 HG13 VAL 27 HG13 VAL 27 -7.333 -2.322 -3.012 163 HG21 VAL 27 HG21 VAL 27 -7.243 -0.949 -0.878 164 HG22 VAL 27 HG22 VAL 27 -8.985 -1.177 -0.733 165 HG23 VAL 27 HG23 VAL 27 -8.307 0.449 -0.717 166 H LEU 28 H LEU 28 -5.471 0.297 -5.022 167 HA LEU 28 HA LEU 28 -7.019 1.505 -7.163 168 HB2 LEU 28 HB2 LEU 28 -4.250 0.319 -7.241 169 HB3 LEU 28 HB3 LEU 28 -4.979 1.320 -8.474 170 HG LEU 28 HG LEU 28 -4.159 2.203 -5.707 171 HD11 LEU 28 HD11 LEU 28 -2.311 1.809 -7.217 172 HD12 LEU 28 HD12 LEU 28 -2.508 3.538 -6.905 173 HD13 LEU 28 HD13 LEU 28 -3.058 2.841 -8.431 174 HD21 LEU 28 HD21 LEU 28 -4.700 4.444 -6.469 175 HD22 LEU 28 HD22 LEU 28 -6.139 3.414 -6.431 176 HD23 LEU 28 HD23 LEU 28 -5.348 3.785 -7.973 177 H ASN 29 H ASN 29 -5.789 -1.602 -6.226 178 HA ASN 29 HA ASN 29 -7.380 -2.906 -8.271 179 HB2 ASN 29 HB2 ASN 29 -4.462 -3.537 -7.681 180 HB3 ASN 29 HB3 ASN 29 -5.532 -4.476 -8.714 181 HD21 ASN 29 HD21 ASN 29 -3.566 -1.660 -8.432 182 HD22 ASN 29 HD22 ASN 29 -3.626 -1.196 -10.078 183 HA PRO 30 HA PRO 30 -8.441 -5.578 -4.887 184 HB2 PRO 30 HB2 PRO 30 -7.284 -7.891 -6.382 185 HB3 PRO 30 HB3 PRO 30 -8.873 -7.727 -5.619 186 HG2 PRO 30 HG2 PRO 30 -8.681 -7.518 -8.242 187 HG3 PRO 30 HG3 PRO 30 -9.700 -6.380 -7.340 188 HD2 PRO 30 HD2 PRO 30 -6.970 -5.983 -8.483 189 HD3 PRO 30 HD3 PRO 30 -8.348 -4.870 -8.492 190 H TYR 31 H TYR 31 -5.196 -6.342 -6.227 191 HA TYR 31 HA TYR 31 -4.396 -7.042 -3.478 192 HB2 TYR 31 HB2 TYR 31 -2.775 -7.450 -6.000 193 HB3 TYR 31 HB3 TYR 31 -2.479 -8.135 -4.418 194 HD1 TYR 31 HD1 TYR 31 -3.899 -9.994 -3.596 195 HD2 TYR 31 HD2 TYR 31 -4.322 -8.468 -7.536 196 HE1 TYR 31 HE1 TYR 31 -5.114 -12.022 -4.248 197 HE2 TYR 31 HE2 TYR 31 -5.544 -10.485 -8.191 198 HH TYR 31 HH TYR 31 -6.756 -12.668 -5.960 199 H TYR 32 H TYR 32 -3.866 -4.738 -6.035 200 HA TYR 32 HA TYR 32 -1.743 -3.609 -4.427 201 HB2 TYR 32 HB2 TYR 32 -1.338 -3.838 -6.863 202 HB3 TYR 32 HB3 TYR 32 -2.595 -2.634 -7.147 203 HD1 TYR 32 HD1 TYR 32 0.639 -3.178 -5.447 204 HD2 TYR 32 HD2 TYR 32 -2.103 -0.332 -7.010 205 HE1 TYR 32 HE1 TYR 32 2.282 -1.403 -5.064 206 HE2 TYR 32 HE2 TYR 32 -0.463 1.461 -6.636 207 HH TYR 32 HH TYR 32 2.751 0.841 -6.032 208 H SER 33 H SER 33 -2.225 -2.267 -2.911 209 HA SER 33 HA SER 33 -4.234 -0.199 -3.420 210 HB2 SER 33 HB2 SER 33 -3.364 -1.368 -0.756 211 HB3 SER 33 HB3 SER 33 -4.655 -0.197 -1.013 212 HG SER 33 HG SER 33 -5.168 -2.547 -0.757 213 H GLN 34 H GLN 34 -3.433 1.911 -3.021 214 HA GLN 34 HA GLN 34 -0.608 2.061 -2.241 215 HB2 GLN 34 HB2 GLN 34 -0.604 2.133 -4.620 216 HB3 GLN 34 HB3 GLN 34 -1.941 3.269 -4.660 217 HG2 GLN 34 HG2 GLN 34 -0.531 5.011 -3.791 218 HG3 GLN 34 HG3 GLN 34 0.799 3.862 -3.583 219 HE21 GLN 34 HE21 GLN 34 2.012 3.292 -5.364 220 HE22 GLN 34 HE22 GLN 34 1.844 4.048 -6.894 221 H CYS 35 H CYS 35 -0.112 3.702 -0.899 222 HA CYS 35 HA CYS 35 -2.234 5.343 0.127 223 HB2 CYS 35 HB2 CYS 35 0.721 5.632 0.693 224 HB3 CYS 35 HB3 CYS 35 -0.639 6.313 1.579 225 H LEU 36 H LEU 36 -2.941 7.007 -0.868 226 HA LEU 36 HA LEU 36 -1.105 8.819 -2.229 227 HB2 LEU 36 HB2 LEU 36 -3.954 8.111 -2.933 228 HB3 LEU 36 HB3 LEU 36 -3.042 9.403 -3.684 229 HG LEU 36 HG LEU 36 -2.326 6.473 -3.830 230 HD11 LEU 36 HD11 LEU 36 -3.542 8.289 -5.906 231 HD12 LEU 36 HD12 LEU 36 -4.351 6.951 -5.086 232 HD13 LEU 36 HD13 LEU 36 -2.996 6.632 -6.166 233 HD21 LEU 36 HD21 LEU 36 -0.717 7.210 -5.530 234 HD22 LEU 36 HD22 LEU 36 -0.367 7.901 -3.954 235 HD23 LEU 36 HD23 LEU 36 -1.139 8.888 -5.196 236 H2 BGC 101 H2 BGC 101 8.372 3.631 0.154 237 H3 BGC 101 H3 BGC 101 6.198 1.507 0.393 238 H4 BGC 101 H4 BGC 101 9.084 1.679 1.321 239 H5 BGC 101 H5 BGC 101 6.391 1.589 2.800 240 H6C1 BGC 101 H61 BGC 101 9.269 1.777 3.769 241 H6C2 BGC 101 H62 BGC 101 8.121 0.464 4.118 242 H1 BGC 101 H1 BGC 101 5.669 3.582 1.525 243 HB BGC 101 HO2 BGC 101 6.621 4.759 -0.865 244 HC BGC 101 HO3 BGC 101 7.177 1.530 -1.675 245 HD BGC 101 HO4 BGC 101 8.410 -0.364 0.602 246 H6 BGC 101 HO6 BGC 101 7.276 3.058 4.724 Start of MODEL 18 1 H1 THR 1 H1 THR 1 5.499 2.672 9.072 2 H2 THR 1 H2 THR 1 4.265 1.490 9.090 3 H3 THR 1 H3 THR 1 4.358 2.695 10.308 4 HA THR 1 HA THR 1 2.643 3.140 8.707 5 HB THR 1 HB THR 1 4.852 5.189 8.728 6 HG1 THR 1 HG1 THR 1 4.621 5.385 10.853 7 HG21 THR 1 HG21 THR 1 2.719 5.769 7.672 8 HG22 THR 1 HG22 THR 1 2.960 6.693 9.158 9 HG23 THR 1 HG23 THR 1 1.862 5.314 9.143 10 H GLN 2 H GLN 2 2.144 3.079 6.618 11 HA GLN 2 HA GLN 2 4.119 2.313 4.701 12 HB2 GLN 2 HB2 GLN 2 1.801 1.430 4.708 13 HB3 GLN 2 HB3 GLN 2 1.208 3.034 4.328 14 HG2 GLN 2 HG2 GLN 2 1.262 1.619 2.355 15 HG3 GLN 2 HG3 GLN 2 2.366 2.982 2.198 16 HE21 GLN 2 HE21 GLN 2 2.121 -0.422 2.648 17 HE22 GLN 2 HE22 GLN 2 3.725 -0.829 2.238 18 H SER 3 H SER 3 5.237 3.585 3.377 19 HA SER 3 HA SER 3 5.037 6.379 3.603 20 HB2 SER 3 HB2 SER 3 6.972 6.442 2.130 21 HB3 SER 3 HB3 SER 3 7.209 5.204 3.344 22 H HIS 4 H HIS 4 5.058 7.776 1.561 23 HA HIS 4 HA HIS 4 2.533 7.491 0.308 24 HB2 HIS 4 HB2 HIS 4 3.776 9.677 0.785 25 HB3 HIS 4 HB3 HIS 4 4.805 9.293 -0.586 26 HD1 HIS 4 HD1 HIS 4 3.876 11.601 -1.558 27 HD2 HIS 4 HD2 HIS 4 1.067 8.585 -1.184 28 HE1 HIS 4 HE1 HIS 4 1.867 12.391 -2.857 29 HE2 HIS 4 HE2 HIS 4 0.097 10.734 -2.109 30 H TYR 5 H TYR 5 1.987 6.536 -1.566 31 HA TYR 5 HA TYR 5 2.051 5.458 -3.465 32 HB2 TYR 5 HB2 TYR 5 4.968 6.234 -3.634 33 HB3 TYR 5 HB3 TYR 5 4.194 5.235 -4.847 34 HD1 TYR 5 HD1 TYR 5 2.416 6.175 -6.267 35 HD2 TYR 5 HD2 TYR 5 4.594 8.606 -3.548 36 HE1 TYR 5 HE1 TYR 5 1.645 8.179 -7.456 37 HE2 TYR 5 HE2 TYR 5 3.821 10.619 -4.727 38 HH TYR 5 HH TYR 5 3.012 11.247 -6.906 39 H GLY 6 H GLY 6 3.104 4.438 -0.709 40 HA2 GLY 6 HA2 GLY 6 4.226 1.916 -1.531 41 HA3 GLY 6 HA3 GLY 6 3.814 2.411 0.108 42 H GLN 7 H GLN 7 3.189 -0.104 -0.881 43 HA GLN 7 HA GLN 7 0.466 -0.125 -1.795 44 HB2 GLN 7 HB2 GLN 7 2.249 -1.831 -2.418 45 HB3 GLN 7 HB3 GLN 7 2.075 -2.476 -0.796 46 HG2 GLN 7 HG2 GLN 7 -0.253 -2.998 -1.238 47 HG3 GLN 7 HG3 GLN 7 -0.118 -2.295 -2.842 48 HE21 GLN 7 HE21 GLN 7 -0.856 -5.062 -2.303 49 HE22 GLN 7 HE22 GLN 7 0.370 -5.992 -3.050 50 H CYS 8 H CYS 8 -1.078 0.331 -0.434 51 HA CYS 8 HA CYS 8 -0.590 0.362 2.411 52 HB2 CYS 8 HB2 CYS 8 -2.851 1.356 2.550 53 HB3 CYS 8 HB3 CYS 8 -1.693 2.221 1.546 54 H GLY 9 H GLY 9 -1.478 -2.153 0.652 55 HA2 GLY 9 HA2 GLY 9 -1.924 -4.104 2.141 56 HA3 GLY 9 HA3 GLY 9 -3.158 -3.092 2.871 57 H GLY 10 H GLY 10 -2.245 -4.815 0.028 58 HA2 GLY 10 HA2 GLY 10 -5.033 -4.820 -0.843 59 HA3 GLY 10 HA3 GLY 10 -3.645 -5.382 -1.776 60 H ILE 11 H ILE 11 -5.449 -7.177 -1.779 61 HA ILE 11 HA ILE 11 -5.685 -8.875 0.434 62 HB ILE 11 HB ILE 11 -5.742 -9.650 -2.494 63 HG12 ILE 11 HG12 ILE 11 -8.047 -8.842 -0.690 64 HG13 ILE 11 HG13 ILE 11 -7.319 -7.813 -1.914 65 HG21 ILE 11 HG21 ILE 11 -7.119 -11.546 -1.750 66 HG22 ILE 11 HG22 ILE 11 -6.895 -11.040 -0.071 67 HG23 ILE 11 HG23 ILE 11 -5.509 -11.566 -1.026 68 HD11 ILE 11 HD11 ILE 11 -8.735 -10.416 -2.419 69 HD12 ILE 11 HD12 ILE 11 -8.026 -9.374 -3.648 70 HD13 ILE 11 HD13 ILE 11 -9.395 -8.803 -2.692 71 H GLY 12 H GLY 12 -4.014 -9.765 1.483 72 HA2 GLY 12 HA2 GLY 12 -2.459 -11.596 1.484 73 HA3 GLY 12 HA3 GLY 12 -1.991 -11.128 -0.142 74 H TYR 13 H TYR 13 -2.066 -8.236 0.929 75 HA TYR 13 HA TYR 13 0.754 -8.212 1.631 76 HB2 TYR 13 HB2 TYR 13 -0.277 -6.563 0.003 77 HB3 TYR 13 HB3 TYR 13 -1.155 -5.873 1.355 78 HD1 TYR 13 HD1 TYR 13 2.039 -6.105 -0.357 79 HD2 TYR 13 HD2 TYR 13 0.094 -4.577 3.099 80 HE1 TYR 13 HE1 TYR 13 3.937 -4.598 0.032 81 HE2 TYR 13 HE2 TYR 13 2.000 -3.064 3.495 82 HH TYR 13 HH TYR 13 4.403 -2.566 1.105 83 H SER 14 H SER 14 1.289 -8.489 3.690 84 HA SER 14 HA SER 14 -0.609 -7.674 5.763 85 HB2 SER 14 HB2 SER 14 1.600 -9.618 5.904 86 HB3 SER 14 HB3 SER 14 0.331 -9.381 7.107 87 HG SER 14 HG SER 14 -1.112 -9.847 5.205 88 H GLY 15 H GLY 15 1.909 -6.345 4.365 89 HA2 GLY 15 HA2 GLY 15 3.568 -5.756 6.655 90 HA3 GLY 15 HA3 GLY 15 3.750 -5.103 5.031 91 HA PRO 16 HA PRO 16 2.326 -1.562 7.513 92 HB2 PRO 16 HB2 PRO 16 3.304 0.350 5.797 93 HB3 PRO 16 HB3 PRO 16 4.251 -0.407 7.080 94 HG2 PRO 16 HG2 PRO 16 4.214 -0.990 4.157 95 HG3 PRO 16 HG3 PRO 16 5.578 -0.991 5.286 96 HD2 PRO 16 HD2 PRO 16 4.349 -3.243 4.397 97 HD3 PRO 16 HD3 PRO 16 5.162 -3.143 5.968 98 H THR 17 H THR 17 0.217 -1.446 7.333 99 HA THR 17 HA THR 17 -1.042 -0.898 4.764 100 HB THR 17 HB THR 17 -3.129 -1.504 6.107 101 HG1 THR 17 HG1 THR 17 -2.010 -3.070 7.859 102 HG21 THR 17 HG21 THR 17 -2.020 -3.016 4.500 103 HG22 THR 17 HG22 THR 17 -2.688 -3.900 5.872 104 HG23 THR 17 HG23 THR 17 -0.954 -3.583 5.784 105 H VAL 18 H VAL 18 -0.555 0.496 7.926 106 HA VAL 18 HA VAL 18 -2.528 2.550 7.512 107 HB VAL 18 HB VAL 18 -0.384 2.314 9.654 108 HG11 VAL 18 HG11 VAL 18 -2.746 4.190 9.479 109 HG12 VAL 18 HG12 VAL 18 -1.041 4.640 9.386 110 HG13 VAL 18 HG13 VAL 18 -1.705 3.996 10.889 111 HG21 VAL 18 HG21 VAL 18 -3.336 1.700 9.737 112 HG22 VAL 18 HG22 VAL 18 -2.240 1.629 11.115 113 HG23 VAL 18 HG23 VAL 18 -2.031 0.516 9.762 114 H CYS 19 H CYS 19 -2.215 4.139 6.201 115 HA CYS 19 HA CYS 19 0.317 4.812 5.103 116 HB2 CYS 19 HB2 CYS 19 -2.305 6.294 4.862 117 HB3 CYS 19 HB3 CYS 19 -0.897 6.428 3.806 118 H ALA 20 H ALA 20 1.418 6.748 5.259 119 HA ALA 20 HA ALA 20 1.583 7.914 7.818 120 HB1 ALA 20 HB1 ALA 20 2.700 8.895 5.201 121 HB2 ALA 20 HB2 ALA 20 3.490 7.763 6.300 122 HB3 ALA 20 HB3 ALA 20 3.200 9.428 6.804 123 H SER 21 H SER 21 1.146 10.028 8.477 124 HA SER 21 HA SER 21 -1.319 11.064 8.073 125 HB2 SER 21 HB2 SER 21 1.166 12.612 8.796 126 HB3 SER 21 HB3 SER 21 -0.498 12.986 9.263 127 HG SER 21 HG SER 21 1.054 11.720 10.745 128 H GLY 22 H GLY 22 -2.246 11.861 6.335 129 HA2 GLY 22 HA2 GLY 22 -2.396 13.811 4.890 130 HA3 GLY 22 HA3 GLY 22 -0.678 13.616 4.571 131 H THR 23 H THR 23 -1.363 10.584 4.568 132 HA THR 23 HA THR 23 -2.308 10.582 1.770 133 HB THR 23 HB THR 23 -0.865 8.608 1.341 134 HG1 THR 23 HG1 THR 23 -0.274 8.941 4.089 135 HG21 THR 23 HG21 THR 23 0.639 10.945 2.514 136 HG22 THR 23 HG22 THR 23 0.029 10.827 0.864 137 HG23 THR 23 HG23 THR 23 1.305 9.741 1.409 138 H THR 24 H THR 24 -3.650 8.850 1.115 139 HA THR 24 HA THR 24 -4.593 7.181 3.320 140 HB THR 24 HB THR 24 -6.915 7.375 2.160 141 HG1 THR 24 HG1 THR 24 -5.654 9.778 1.378 142 HG21 THR 24 HG21 THR 24 -6.462 8.146 4.434 143 HG22 THR 24 HG22 THR 24 -7.512 9.282 3.591 144 HG23 THR 24 HG23 THR 24 -5.799 9.654 3.802 145 H CYS 25 H CYS 25 -5.494 5.194 2.752 146 HA CYS 25 HA CYS 25 -4.094 3.916 0.662 147 HB2 CYS 25 HB2 CYS 25 -4.595 2.806 2.787 148 HB3 CYS 25 HB3 CYS 25 -6.319 2.906 2.438 149 H GLN 26 H GLN 26 -4.649 4.146 -1.382 150 HA GLN 26 HA GLN 26 -7.470 4.266 -2.083 151 HB2 GLN 26 HB2 GLN 26 -5.032 4.718 -3.815 152 HB3 GLN 26 HB3 GLN 26 -6.702 5.044 -4.249 153 HG2 GLN 26 HG2 GLN 26 -5.106 6.475 -2.135 154 HG3 GLN 26 HG3 GLN 26 -5.496 7.086 -3.740 155 HE21 GLN 26 HE21 GLN 26 -6.060 8.116 -1.104 156 HE22 GLN 26 HE22 GLN 26 -7.745 8.368 -1.012 157 H VAL 27 H VAL 27 -8.279 2.326 -2.555 158 HA VAL 27 HA VAL 27 -6.542 0.145 -3.240 159 HB VAL 27 HB VAL 27 -9.583 0.212 -3.196 160 HG11 VAL 27 HG11 VAL 27 -7.681 -2.134 -3.210 161 HG12 VAL 27 HG12 VAL 27 -8.638 -1.592 -4.576 162 HG13 VAL 27 HG13 VAL 27 -9.444 -2.231 -3.134 163 HG21 VAL 27 HG21 VAL 27 -7.636 -0.760 -1.107 164 HG22 VAL 27 HG22 VAL 27 -9.392 -0.901 -1.021 165 HG23 VAL 27 HG23 VAL 27 -8.630 0.692 -0.998 166 H LEU 28 H LEU 28 -5.631 0.502 -5.110 167 HA LEU 28 HA LEU 28 -6.924 1.637 -7.398 168 HB2 LEU 28 HB2 LEU 28 -4.301 0.173 -7.103 169 HB3 LEU 28 HB3 LEU 28 -4.825 0.968 -8.566 170 HG LEU 28 HG LEU 28 -4.347 2.408 -5.949 171 HD11 LEU 28 HD11 LEU 28 -2.617 2.176 -8.412 172 HD12 LEU 28 HD12 LEU 28 -2.273 1.466 -6.832 173 HD13 LEU 28 HD13 LEU 28 -2.304 3.217 -7.024 174 HD21 LEU 28 HD21 LEU 28 -5.915 3.520 -7.428 175 HD22 LEU 28 HD22 LEU 28 -4.765 3.307 -8.757 176 HD23 LEU 28 HD23 LEU 28 -4.356 4.374 -7.410 177 H ASN 29 H ASN 29 -5.844 -1.542 -6.439 178 HA ASN 29 HA ASN 29 -7.449 -2.813 -8.509 179 HB2 ASN 29 HB2 ASN 29 -4.520 -3.293 -7.827 180 HB3 ASN 29 HB3 ASN 29 -5.485 -4.353 -8.841 181 HD21 ASN 29 HD21 ASN 29 -3.051 -2.535 -9.293 182 HD22 ASN 29 HD22 ASN 29 -3.478 -1.678 -10.718 183 HA PRO 30 HA PRO 30 -8.679 -5.465 -5.176 184 HB2 PRO 30 HB2 PRO 30 -7.536 -7.860 -6.516 185 HB3 PRO 30 HB3 PRO 30 -9.182 -7.569 -5.941 186 HG2 PRO 30 HG2 PRO 30 -8.651 -7.488 -8.539 187 HG3 PRO 30 HG3 PRO 30 -9.756 -6.312 -7.802 188 HD2 PRO 30 HD2 PRO 30 -6.906 -5.971 -8.638 189 HD3 PRO 30 HD3 PRO 30 -8.277 -4.853 -8.818 190 H TYR 31 H TYR 31 -5.430 -6.362 -6.342 191 HA TYR 31 HA TYR 31 -4.758 -7.038 -3.561 192 HB2 TYR 31 HB2 TYR 31 -3.284 -7.804 -6.112 193 HB3 TYR 31 HB3 TYR 31 -2.848 -8.293 -4.486 194 HD1 TYR 31 HD1 TYR 31 -3.780 -10.226 -3.535 195 HD2 TYR 31 HD2 TYR 31 -5.559 -8.603 -7.030 196 HE1 TYR 31 HE1 TYR 31 -5.236 -12.203 -3.708 197 HE2 TYR 31 HE2 TYR 31 -7.021 -10.572 -7.207 198 HH TYR 31 HH TYR 31 -7.006 -12.903 -6.472 199 H TYR 32 H TYR 32 -3.978 -4.897 -6.217 200 HA TYR 32 HA TYR 32 -1.831 -3.786 -4.605 201 HB2 TYR 32 HB2 TYR 32 -1.379 -4.114 -7.025 202 HB3 TYR 32 HB3 TYR 32 -2.608 -2.909 -7.393 203 HD1 TYR 32 HD1 TYR 32 -1.885 -0.711 -7.727 204 HD2 TYR 32 HD2 TYR 32 0.407 -3.300 -5.266 205 HE1 TYR 32 HE1 TYR 32 -0.211 1.063 -7.429 206 HE2 TYR 32 HE2 TYR 32 2.096 -1.552 -4.968 207 HH TYR 32 HH TYR 32 2.881 0.425 -6.096 208 H SER 33 H SER 33 -2.257 -2.327 -3.196 209 HA SER 33 HA SER 33 -4.271 -0.290 -3.788 210 HB2 SER 33 HB2 SER 33 -3.580 -1.497 -1.088 211 HB3 SER 33 HB3 SER 33 -4.886 -0.364 -1.432 212 HG SER 33 HG SER 33 -5.944 -2.262 -1.538 213 H GLN 34 H GLN 34 -3.541 1.864 -3.063 214 HA GLN 34 HA GLN 34 -0.743 1.935 -2.202 215 HB2 GLN 34 HB2 GLN 34 -0.544 2.020 -4.555 216 HB3 GLN 34 HB3 GLN 34 -1.852 3.172 -4.710 217 HG2 GLN 34 HG2 GLN 34 -0.512 4.897 -3.738 218 HG3 GLN 34 HG3 GLN 34 0.788 3.746 -3.393 219 HE21 GLN 34 HE21 GLN 34 2.082 3.071 -5.050 220 HE22 GLN 34 HE22 GLN 34 2.101 3.832 -6.588 221 H CYS 35 H CYS 35 -0.208 3.588 -0.859 222 HA CYS 35 HA CYS 35 -2.306 5.321 0.109 223 HB2 CYS 35 HB2 CYS 35 0.652 5.470 0.804 224 HB3 CYS 35 HB3 CYS 35 -0.669 6.254 1.624 225 H LEU 36 H LEU 36 -2.875 7.063 -0.898 226 HA LEU 36 HA LEU 36 -0.857 8.587 -2.330 227 HB2 LEU 36 HB2 LEU 36 -3.739 8.090 -3.045 228 HB3 LEU 36 HB3 LEU 36 -2.791 9.371 -3.769 229 HG LEU 36 HG LEU 36 -2.111 6.433 -3.949 230 HD11 LEU 36 HD11 LEU 36 -2.777 6.621 -6.280 231 HD12 LEU 36 HD12 LEU 36 -3.341 8.274 -5.999 232 HD13 LEU 36 HD13 LEU 36 -4.135 6.912 -5.202 233 HD21 LEU 36 HD21 LEU 36 -0.527 7.188 -5.665 234 HD22 LEU 36 HD22 LEU 36 -0.147 7.839 -4.080 235 HD23 LEU 36 HD23 LEU 36 -0.931 8.861 -5.287 236 H2 BGC 101 H2 BGC 101 8.282 2.404 0.488 237 H3 BGC 101 H3 BGC 101 5.696 0.893 0.791 238 H4 BGC 101 H4 BGC 101 8.499 0.427 1.940 239 H5 BGC 101 H5 BGC 101 5.850 1.217 3.307 240 H6C1 BGC 101 H61 BGC 101 8.724 0.898 4.231 241 H6C2 BGC 101 H62 BGC 101 7.329 -0.028 4.812 242 H1 BGC 101 H1 BGC 101 5.558 3.035 1.709 243 HB BGC 101 HO2 BGC 101 7.002 2.129 -1.399 244 HC BGC 101 HO3 BGC 101 8.187 0.067 -0.390 245 HD BGC 101 HO4 BGC 101 6.016 -0.967 2.231 246 H6 BGC 101 HO6 BGC 101 7.513 2.810 4.990 Start of MODEL 19 1 H1 THR 1 H1 THR 1 5.199 2.726 9.365 2 H2 THR 1 H2 THR 1 3.874 1.661 9.247 3 H3 THR 1 H3 THR 1 3.986 2.759 10.526 4 HA THR 1 HA THR 1 2.380 3.379 8.857 5 HB THR 1 HB THR 1 4.669 5.335 9.198 6 HG1 THR 1 HG1 THR 1 2.706 5.284 11.148 7 HG21 THR 1 HG21 THR 1 1.658 5.653 9.202 8 HG22 THR 1 HG22 THR 1 2.734 6.081 7.873 9 HG23 THR 1 HG23 THR 1 2.834 6.954 9.403 10 H GLN 2 H GLN 2 2.042 2.995 6.778 11 HA GLN 2 HA GLN 2 4.139 2.473 4.933 12 HB2 GLN 2 HB2 GLN 2 1.964 1.301 4.895 13 HB3 GLN 2 HB3 GLN 2 1.165 2.807 4.480 14 HG2 GLN 2 HG2 GLN 2 1.453 1.387 2.536 15 HG3 GLN 2 HG3 GLN 2 2.379 2.879 2.373 16 HE21 GLN 2 HE21 GLN 2 2.513 -0.511 2.832 17 HE22 GLN 2 HE22 GLN 2 4.186 -0.729 2.504 18 H SER 3 H SER 3 5.143 3.824 3.631 19 HA SER 3 HA SER 3 4.595 6.583 3.790 20 HB2 SER 3 HB2 SER 3 6.594 6.903 2.521 21 HB3 SER 3 HB3 SER 3 6.910 5.658 3.712 22 H HIS 4 H HIS 4 4.744 7.908 1.748 23 HA HIS 4 HA HIS 4 2.414 7.562 0.235 24 HB2 HIS 4 HB2 HIS 4 3.712 9.720 0.726 25 HB3 HIS 4 HB3 HIS 4 4.814 9.232 -0.545 26 HD1 HIS 4 HD1 HIS 4 4.062 11.556 -1.669 27 HD2 HIS 4 HD2 HIS 4 1.102 8.655 -1.415 28 HE1 HIS 4 HE1 HIS 4 2.215 12.330 -3.166 29 HE2 HIS 4 HE2 HIS 4 0.372 10.775 -2.746 30 H TYR 5 H TYR 5 2.014 6.519 -1.636 31 HA TYR 5 HA TYR 5 2.178 5.376 -3.484 32 HB2 TYR 5 HB2 TYR 5 5.125 6.038 -3.477 33 HB3 TYR 5 HB3 TYR 5 4.382 5.032 -4.709 34 HD1 TYR 5 HD1 TYR 5 4.877 8.406 -3.494 35 HD2 TYR 5 HD2 TYR 5 2.700 6.020 -6.250 36 HE1 TYR 5 HE1 TYR 5 4.271 10.418 -4.752 37 HE2 TYR 5 HE2 TYR 5 2.087 8.031 -7.519 38 HH TYR 5 HH TYR 5 3.613 10.990 -7.036 39 H GLY 6 H GLY 6 3.244 4.388 -0.616 40 HA2 GLY 6 HA2 GLY 6 4.283 1.839 -1.420 41 HA3 GLY 6 HA3 GLY 6 3.890 2.353 0.215 42 H GLN 7 H GLN 7 3.249 -0.153 -1.190 43 HA GLN 7 HA GLN 7 0.483 -0.225 -1.695 44 HB2 GLN 7 HB2 GLN 7 1.966 -1.952 -2.557 45 HB3 GLN 7 HB3 GLN 7 2.417 -2.429 -0.926 46 HG2 GLN 7 HG2 GLN 7 0.108 -3.171 -0.532 47 HG3 GLN 7 HG3 GLN 7 -0.312 -2.704 -2.175 48 HE21 GLN 7 HE21 GLN 7 -0.922 -4.907 -2.656 49 HE22 GLN 7 HE22 GLN 7 0.283 -6.082 -2.929 50 H CYS 8 H CYS 8 -1.032 0.148 -0.291 51 HA CYS 8 HA CYS 8 -0.425 0.170 2.555 52 HB2 CYS 8 HB2 CYS 8 -2.612 1.325 2.740 53 HB3 CYS 8 HB3 CYS 8 -1.410 2.134 1.745 54 H GLY 9 H GLY 9 -1.513 -2.224 0.728 55 HA2 GLY 9 HA2 GLY 9 -2.142 -4.142 2.267 56 HA3 GLY 9 HA3 GLY 9 -3.353 -3.034 2.886 57 H GLY 10 H GLY 10 -2.264 -4.526 -0.057 58 HA2 GLY 10 HA2 GLY 10 -5.052 -4.779 -0.927 59 HA3 GLY 10 HA3 GLY 10 -3.614 -5.060 -1.914 60 H ILE 11 H ILE 11 -5.513 -7.040 -1.768 61 HA ILE 11 HA ILE 11 -5.019 -8.908 0.248 62 HB ILE 11 HB ILE 11 -5.883 -9.398 -2.616 63 HG12 ILE 11 HG12 ILE 11 -7.510 -9.202 -0.066 64 HG13 ILE 11 HG13 ILE 11 -7.373 -7.928 -1.268 65 HG21 ILE 11 HG21 ILE 11 -4.958 -11.425 -1.613 66 HG22 ILE 11 HG22 ILE 11 -6.708 -11.571 -1.814 67 HG23 ILE 11 HG23 ILE 11 -6.021 -11.236 -0.218 68 HD11 ILE 11 HD11 ILE 11 -8.459 -9.359 -2.910 69 HD12 ILE 11 HD12 ILE 11 -9.464 -9.148 -1.477 70 HD13 ILE 11 HD13 ILE 11 -8.570 -10.652 -1.718 71 H GLY 12 H GLY 12 -3.315 -10.042 0.726 72 HA2 GLY 12 HA2 GLY 12 -1.629 -11.629 0.098 73 HA3 GLY 12 HA3 GLY 12 -1.378 -10.694 -1.373 74 H TYR 13 H TYR 13 -1.841 -8.435 0.898 75 HA TYR 13 HA TYR 13 1.040 -8.221 1.396 76 HB2 TYR 13 HB2 TYR 13 0.013 -6.409 0.023 77 HB3 TYR 13 HB3 TYR 13 -1.044 -6.025 1.374 78 HD1 TYR 13 HD1 TYR 13 -0.331 -4.482 2.996 79 HD2 TYR 13 HD2 TYR 13 2.497 -6.252 0.403 80 HE1 TYR 13 HE1 TYR 13 1.387 -2.977 3.871 81 HE2 TYR 13 HE2 TYR 13 4.256 -4.741 1.271 82 HH TYR 13 HH TYR 13 3.655 -2.772 4.053 83 H SER 14 H SER 14 1.713 -8.463 3.432 84 HA SER 14 HA SER 14 -0.255 -8.317 5.614 85 HB2 SER 14 HB2 SER 14 2.240 -9.897 5.448 86 HB3 SER 14 HB3 SER 14 0.977 -10.076 6.669 87 HG SER 14 HG SER 14 -0.272 -11.098 5.274 88 H GLY 15 H GLY 15 1.621 -6.242 4.469 89 HA2 GLY 15 HA2 GLY 15 3.448 -5.823 6.746 90 HA3 GLY 15 HA3 GLY 15 3.563 -5.035 5.178 91 HA PRO 16 HA PRO 16 1.742 -1.883 8.149 92 HB2 PRO 16 HB2 PRO 16 2.870 0.193 6.683 93 HB3 PRO 16 HB3 PRO 16 3.605 -0.544 8.111 94 HG2 PRO 16 HG2 PRO 16 4.097 -1.119 5.215 95 HG3 PRO 16 HG3 PRO 16 5.272 -0.960 6.533 96 HD2 PRO 16 HD2 PRO 16 4.590 -3.358 5.660 97 HD3 PRO 16 HD3 PRO 16 4.742 -3.073 7.406 98 H THR 17 H THR 17 -0.257 -1.332 7.770 99 HA THR 17 HA THR 17 -1.137 -0.963 5.016 100 HB THR 17 HB THR 17 -3.439 -1.492 6.051 101 HG1 THR 17 HG1 THR 17 -1.870 -2.779 8.030 102 HG21 THR 17 HG21 THR 17 -3.022 -3.905 5.906 103 HG22 THR 17 HG22 THR 17 -1.285 -3.616 6.017 104 HG23 THR 17 HG23 THR 17 -2.182 -3.048 4.613 105 H VAL 18 H VAL 18 -0.961 0.578 8.118 106 HA VAL 18 HA VAL 18 -2.792 2.679 7.410 107 HB VAL 18 HB VAL 18 -0.804 2.512 9.707 108 HG11 VAL 18 HG11 VAL 18 -2.071 4.407 10.682 109 HG12 VAL 18 HG12 VAL 18 -2.982 4.544 9.176 110 HG13 VAL 18 HG13 VAL 18 -1.242 4.836 9.186 111 HG21 VAL 18 HG21 VAL 18 -2.628 0.867 9.846 112 HG22 VAL 18 HG22 VAL 18 -3.802 2.162 9.664 113 HG23 VAL 18 HG23 VAL 18 -2.775 2.100 11.097 114 H CYS 19 H CYS 19 -2.329 4.193 6.061 115 HA CYS 19 HA CYS 19 0.292 4.698 5.074 116 HB2 CYS 19 HB2 CYS 19 -2.261 6.253 4.638 117 HB3 CYS 19 HB3 CYS 19 -0.770 6.364 3.690 118 H ALA 20 H ALA 20 1.322 6.737 5.059 119 HA ALA 20 HA ALA 20 1.573 7.927 7.603 120 HB1 ALA 20 HB1 ALA 20 2.631 8.846 4.943 121 HB2 ALA 20 HB2 ALA 20 3.427 7.711 6.033 122 HB3 ALA 20 HB3 ALA 20 3.174 9.388 6.530 123 H SER 21 H SER 21 1.404 10.187 8.044 124 HA SER 21 HA SER 21 -1.126 11.218 7.659 125 HB2 SER 21 HB2 SER 21 -0.034 13.298 8.648 126 HB3 SER 21 HB3 SER 21 0.112 11.813 9.590 127 HG SER 21 HG SER 21 2.013 12.945 7.853 128 H GLY 22 H GLY 22 -2.010 12.367 6.063 129 HA2 GLY 22 HA2 GLY 22 -1.976 14.068 4.425 130 HA3 GLY 22 HA3 GLY 22 -0.260 13.760 4.188 131 H THR 23 H THR 23 -1.234 10.747 4.341 132 HA THR 23 HA THR 23 -2.040 10.653 1.513 133 HB THR 23 HB THR 23 -0.733 8.572 1.252 134 HG1 THR 23 HG1 THR 23 -0.351 8.916 4.001 135 HG21 THR 23 HG21 THR 23 0.895 10.841 2.383 136 HG22 THR 23 HG22 THR 23 0.358 10.674 0.709 137 HG23 THR 23 HG23 THR 23 1.514 9.527 1.385 138 H THR 24 H THR 24 -3.493 8.953 0.962 139 HA THR 24 HA THR 24 -4.570 7.495 3.249 140 HB THR 24 HB THR 24 -6.816 7.633 1.996 141 HG1 THR 24 HG1 THR 24 -5.284 9.090 0.340 142 HG21 THR 24 HG21 THR 24 -7.387 9.796 3.037 143 HG22 THR 24 HG22 THR 24 -5.670 10.127 3.268 144 HG23 THR 24 HG23 THR 24 -6.431 8.785 4.118 145 H CYS 25 H CYS 25 -5.278 5.416 2.833 146 HA CYS 25 HA CYS 25 -3.877 4.068 0.787 147 HB2 CYS 25 HB2 CYS 25 -4.360 2.995 2.937 148 HB3 CYS 25 HB3 CYS 25 -6.087 3.091 2.614 149 H GLN 26 H GLN 26 -4.432 3.963 -1.291 150 HA GLN 26 HA GLN 26 -7.252 4.258 -2.063 151 HB2 GLN 26 HB2 GLN 26 -4.793 4.310 -3.820 152 HB3 GLN 26 HB3 GLN 26 -6.430 4.718 -4.288 153 HG2 GLN 26 HG2 GLN 26 -4.663 6.255 -2.408 154 HG3 GLN 26 HG3 GLN 26 -5.056 6.671 -4.075 155 HE21 GLN 26 HE21 GLN 26 -5.409 8.210 -1.718 156 HE22 GLN 26 HE22 GLN 26 -7.081 8.560 -1.588 157 H VAL 27 H VAL 27 -8.249 2.352 -2.469 158 HA VAL 27 HA VAL 27 -6.684 0.032 -3.145 159 HB VAL 27 HB VAL 27 -9.715 0.372 -3.118 160 HG11 VAL 27 HG11 VAL 27 -8.033 -2.134 -3.168 161 HG12 VAL 27 HG12 VAL 27 -8.978 -1.500 -4.508 162 HG13 VAL 27 HG13 VAL 27 -9.794 -2.081 -3.051 163 HG21 VAL 27 HG21 VAL 27 -7.883 -0.783 -1.012 164 HG22 VAL 27 HG22 VAL 27 -9.645 -0.782 -0.950 165 HG23 VAL 27 HG23 VAL 27 -8.761 0.740 -0.899 166 H LEU 28 H LEU 28 -5.779 0.253 -5.045 167 HA LEU 28 HA LEU 28 -7.118 1.510 -7.291 168 HB2 LEU 28 HB2 LEU 28 -4.407 0.183 -7.092 169 HB3 LEU 28 HB3 LEU 28 -4.997 1.067 -8.485 170 HG LEU 28 HG LEU 28 -4.517 2.287 -5.754 171 HD11 LEU 28 HD11 LEU 28 -2.593 3.362 -6.802 172 HD12 LEU 28 HD12 LEU 28 -2.885 2.435 -8.276 173 HD13 LEU 28 HD13 LEU 28 -2.426 1.608 -6.790 174 HD21 LEU 28 HD21 LEU 28 -6.232 3.438 -7.044 175 HD22 LEU 28 HD22 LEU 28 -5.112 3.503 -8.418 176 HD23 LEU 28 HD23 LEU 28 -4.743 4.397 -6.940 177 H ASN 29 H ASN 29 -6.099 -1.643 -6.245 178 HA ASN 29 HA ASN 29 -7.882 -2.903 -8.146 179 HB2 ASN 29 HB2 ASN 29 -4.972 -3.724 -7.737 180 HB3 ASN 29 HB3 ASN 29 -6.171 -4.643 -8.626 181 HD21 ASN 29 HD21 ASN 29 -4.030 -1.960 -8.688 182 HD22 ASN 29 HD22 ASN 29 -4.193 -1.583 -10.361 183 HA PRO 30 HA PRO 30 -8.873 -5.263 -4.525 184 HB2 PRO 30 HB2 PRO 30 -8.186 -7.797 -5.925 185 HB3 PRO 30 HB3 PRO 30 -9.696 -7.340 -5.120 186 HG2 PRO 30 HG2 PRO 30 -9.563 -7.384 -7.772 187 HG3 PRO 30 HG3 PRO 30 -10.436 -6.088 -6.937 188 HD2 PRO 30 HD2 PRO 30 -7.724 -6.031 -8.201 189 HD3 PRO 30 HD3 PRO 30 -8.990 -4.790 -8.215 190 H TYR 31 H TYR 31 -5.900 -6.262 -6.158 191 HA TYR 31 HA TYR 31 -4.842 -7.127 -3.549 192 HB2 TYR 31 HB2 TYR 31 -3.657 -7.607 -6.292 193 HB3 TYR 31 HB3 TYR 31 -3.165 -8.351 -4.781 194 HD1 TYR 31 HD1 TYR 31 -4.391 -10.229 -3.870 195 HD2 TYR 31 HD2 TYR 31 -5.759 -8.321 -7.412 196 HE1 TYR 31 HE1 TYR 31 -5.906 -12.113 -4.294 197 HE2 TYR 31 HE2 TYR 31 -7.287 -10.200 -7.841 198 HH TYR 31 HH TYR 31 -7.962 -12.561 -5.488 199 H TYR 32 H TYR 32 -4.426 -4.783 -6.114 200 HA TYR 32 HA TYR 32 -2.060 -3.801 -4.751 201 HB2 TYR 32 HB2 TYR 32 -1.901 -4.042 -7.199 202 HB3 TYR 32 HB3 TYR 32 -3.166 -2.829 -7.374 203 HD1 TYR 32 HD1 TYR 32 -0.022 -3.140 -5.380 204 HD2 TYR 32 HD2 TYR 32 -2.354 -0.740 -8.026 205 HE1 TYR 32 HE1 TYR 32 1.701 -1.401 -5.313 206 HE2 TYR 32 HE2 TYR 32 -0.639 0.987 -7.969 207 HH TYR 32 HH TYR 32 1.202 1.722 -6.544 208 H SER 33 H SER 33 -2.294 -2.389 -3.208 209 HA SER 33 HA SER 33 -4.256 -0.245 -3.558 210 HB2 SER 33 HB2 SER 33 -3.423 -1.550 -0.939 211 HB3 SER 33 HB3 SER 33 -4.651 -0.300 -1.144 212 HG SER 33 HG SER 33 -5.660 -2.300 -1.002 213 H GLN 34 H GLN 34 -3.396 1.833 -2.967 214 HA GLN 34 HA GLN 34 -0.580 1.876 -2.153 215 HB2 GLN 34 HB2 GLN 34 -0.408 1.881 -4.540 216 HB3 GLN 34 HB3 GLN 34 -1.682 3.074 -4.693 217 HG2 GLN 34 HG2 GLN 34 -0.241 4.769 -3.728 218 HG3 GLN 34 HG3 GLN 34 1.016 3.560 -3.470 219 HE21 GLN 34 HE21 GLN 34 2.303 2.955 -5.157 220 HE22 GLN 34 HE22 GLN 34 2.245 3.707 -6.702 221 H CYS 35 H CYS 35 -0.037 3.570 -0.865 222 HA CYS 35 HA CYS 35 -2.119 5.282 0.113 223 HB2 CYS 35 HB2 CYS 35 0.853 5.477 0.701 224 HB3 CYS 35 HB3 CYS 35 -0.451 6.256 1.558 225 H LEU 36 H LEU 36 -2.826 6.955 -0.906 226 HA LEU 36 HA LEU 36 -0.989 8.863 -2.090 227 HB2 LEU 36 HB2 LEU 36 -3.627 7.928 -3.245 228 HB3 LEU 36 HB3 LEU 36 -2.697 9.272 -3.853 229 HG LEU 36 HG LEU 36 -1.778 6.390 -3.879 230 HD11 LEU 36 HD11 LEU 36 -3.611 6.715 -5.415 231 HD12 LEU 36 HD12 LEU 36 -2.103 6.548 -6.309 232 HD13 LEU 36 HD13 LEU 36 -2.826 8.142 -6.090 233 HD21 LEU 36 HD21 LEU 36 0.015 7.212 -5.323 234 HD22 LEU 36 HD22 LEU 36 0.080 7.979 -3.740 235 HD23 LEU 36 HD23 LEU 36 -0.575 8.860 -5.122 236 H2 BGC 101 H2 BGC 101 8.369 3.144 0.778 237 H3 BGC 101 H3 BGC 101 6.000 1.257 1.049 238 H4 BGC 101 H4 BGC 101 8.850 1.206 2.124 239 H5 BGC 101 H5 BGC 101 6.115 1.546 3.522 240 H6C1 BGC 101 H61 BGC 101 8.987 1.581 4.543 241 H6C2 BGC 101 H62 BGC 101 7.705 0.450 5.045 242 H1 BGC 101 H1 BGC 101 5.610 3.387 1.990 243 HB BGC 101 HO2 BGC 101 6.769 4.323 -0.404 244 HC BGC 101 HO3 BGC 101 7.182 1.118 -0.948 245 HD BGC 101 HO4 BGC 101 7.891 -0.819 1.561 246 H6 BGC 101 HO6 BGC 101 7.160 3.196 5.299 Start of MODEL 20 1 H1 THR 1 H1 THR 1 4.840 2.423 10.059 2 H2 THR 1 H2 THR 1 5.925 2.851 8.835 3 H3 THR 1 H3 THR 1 5.024 1.440 8.691 4 HA THR 1 HA THR 1 3.002 2.762 8.584 5 HB THR 1 HB THR 1 4.886 5.126 8.478 6 HG1 THR 1 HG1 THR 1 4.350 5.452 10.664 7 HG21 THR 1 HG21 THR 1 2.834 6.377 9.008 8 HG22 THR 1 HG22 THR 1 1.928 4.868 9.078 9 HG23 THR 1 HG23 THR 1 2.612 5.414 7.546 10 H GLN 2 H GLN 2 2.296 3.182 6.425 11 HA GLN 2 HA GLN 2 4.313 2.501 4.483 12 HB2 GLN 2 HB2 GLN 2 2.128 1.310 4.544 13 HB3 GLN 2 HB3 GLN 2 1.337 2.820 4.111 14 HG2 GLN 2 HG2 GLN 2 1.654 1.339 2.185 15 HG3 GLN 2 HG3 GLN 2 2.501 2.878 2.003 16 HE21 GLN 2 HE21 GLN 2 2.847 -0.522 2.484 17 HE22 GLN 2 HE22 GLN 2 4.536 -0.605 2.156 18 H SER 3 H SER 3 5.305 3.969 3.306 19 HA SER 3 HA SER 3 4.676 6.681 3.414 20 HB2 SER 3 HB2 SER 3 6.550 7.009 1.912 21 HB3 SER 3 HB3 SER 3 6.985 5.854 3.155 22 H HIS 4 H HIS 4 4.603 8.028 1.376 23 HA HIS 4 HA HIS 4 2.127 7.601 0.084 24 HB2 HIS 4 HB2 HIS 4 3.282 9.809 0.682 25 HB3 HIS 4 HB3 HIS 4 4.344 9.515 -0.673 26 HD1 HIS 4 HD1 HIS 4 3.557 11.678 -1.814 27 HD2 HIS 4 HD2 HIS 4 0.512 8.960 -1.139 28 HE1 HIS 4 HE1 HIS 4 1.533 12.605 -2.993 29 HE2 HIS 4 HE2 HIS 4 -0.295 11.164 -2.254 30 H TYR 5 H TYR 5 1.709 6.616 -1.803 31 HA TYR 5 HA TYR 5 1.851 5.557 -3.711 32 HB2 TYR 5 HB2 TYR 5 4.758 6.381 -3.914 33 HB3 TYR 5 HB3 TYR 5 3.893 5.497 -5.146 34 HD1 TYR 5 HD1 TYR 5 4.356 8.764 -3.615 35 HD2 TYR 5 HD2 TYR 5 2.131 6.559 -6.475 36 HE1 TYR 5 HE1 TYR 5 3.563 10.859 -4.605 37 HE2 TYR 5 HE2 TYR 5 1.330 8.655 -7.475 38 HH TYR 5 HH TYR 5 2.708 11.627 -6.815 39 H GLY 6 H GLY 6 3.050 4.569 -0.968 40 HA2 GLY 6 HA2 GLY 6 4.230 2.092 -1.884 41 HA3 GLY 6 HA3 GLY 6 3.970 2.585 -0.214 42 H GLN 7 H GLN 7 3.346 0.072 -0.793 43 HA GLN 7 HA GLN 7 0.586 -0.134 -1.616 44 HB2 GLN 7 HB2 GLN 7 2.228 -1.784 -2.408 45 HB3 GLN 7 HB3 GLN 7 2.534 -2.271 -0.749 46 HG2 GLN 7 HG2 GLN 7 0.254 -3.095 -0.555 47 HG3 GLN 7 HG3 GLN 7 -0.090 -2.558 -2.196 48 HE21 GLN 7 HE21 GLN 7 -0.589 -4.727 -2.872 49 HE22 GLN 7 HE22 GLN 7 0.704 -5.825 -3.112 50 H CYS 8 H CYS 8 -0.952 0.183 -0.244 51 HA CYS 8 HA CYS 8 -0.396 0.117 2.623 52 HB2 CYS 8 HB2 CYS 8 -2.558 1.343 2.768 53 HB3 CYS 8 HB3 CYS 8 -1.272 2.140 1.861 54 H GLY 9 H GLY 9 -1.210 -2.339 0.926 55 HA2 GLY 9 HA2 GLY 9 -2.006 -4.249 2.341 56 HA3 GLY 9 HA3 GLY 9 -3.193 -3.126 2.961 57 H GLY 10 H GLY 10 -2.204 -4.851 0.104 58 HA2 GLY 10 HA2 GLY 10 -4.978 -4.796 -0.862 59 HA3 GLY 10 HA3 GLY 10 -3.562 -5.331 -1.761 60 H ILE 11 H ILE 11 -5.440 -7.107 -1.911 61 HA ILE 11 HA ILE 11 -5.738 -8.963 0.136 62 HB ILE 11 HB ILE 11 -5.626 -9.481 -2.855 63 HG12 ILE 11 HG12 ILE 11 -7.987 -9.058 -1.007 64 HG13 ILE 11 HG13 ILE 11 -7.376 -7.885 -2.162 65 HG21 ILE 11 HG21 ILE 11 -6.883 -11.552 -2.365 66 HG22 ILE 11 HG22 ILE 11 -6.668 -11.246 -0.639 67 HG23 ILE 11 HG23 ILE 11 -5.265 -11.556 -1.662 68 HD11 ILE 11 HD11 ILE 11 -9.366 -8.987 -3.008 69 HD12 ILE 11 HD12 ILE 11 -8.591 -10.561 -2.825 70 HD13 ILE 11 HD13 ILE 11 -7.963 -9.405 -3.996 71 H GLY 12 H GLY 12 -4.229 -10.030 1.225 72 HA2 GLY 12 HA2 GLY 12 -2.627 -11.801 1.275 73 HA3 GLY 12 HA3 GLY 12 -2.018 -11.238 -0.272 74 H TYR 13 H TYR 13 -2.067 -8.446 0.593 75 HA TYR 13 HA TYR 13 0.529 -8.525 1.901 76 HB2 TYR 13 HB2 TYR 13 0.279 -7.249 -0.224 77 HB3 TYR 13 HB3 TYR 13 -0.875 -6.191 0.576 78 HD1 TYR 13 HD1 TYR 13 2.651 -7.172 0.382 79 HD2 TYR 13 HD2 TYR 13 -0.123 -4.455 2.075 80 HE1 TYR 13 HE1 TYR 13 4.513 -5.722 1.092 81 HE2 TYR 13 HE2 TYR 13 1.704 -3.008 2.797 82 HH TYR 13 HH TYR 13 4.857 -3.375 1.633 83 H SER 14 H SER 14 0.343 -8.577 3.999 84 HA SER 14 HA SER 14 -1.589 -6.838 5.332 85 HB2 SER 14 HB2 SER 14 -0.244 -9.310 6.248 86 HB3 SER 14 HB3 SER 14 -1.526 -8.470 7.132 87 HG SER 14 HG SER 14 -2.545 -8.859 4.797 88 H GLY 15 H GLY 15 1.110 -6.151 4.350 89 HA2 GLY 15 HA2 GLY 15 2.869 -6.012 6.628 90 HA3 GLY 15 HA3 GLY 15 3.148 -5.277 5.055 91 HA PRO 16 HA PRO 16 2.179 -1.662 7.650 92 HB2 PRO 16 HB2 PRO 16 3.368 0.157 5.944 93 HB3 PRO 16 HB3 PRO 16 4.202 -0.655 7.269 94 HG2 PRO 16 HG2 PRO 16 4.270 -1.232 4.355 95 HG3 PRO 16 HG3 PRO 16 5.543 -1.419 5.568 96 HD2 PRO 16 HD2 PRO 16 4.061 -3.489 4.537 97 HD3 PRO 16 HD3 PRO 16 4.862 -3.529 6.117 98 H THR 17 H THR 17 0.060 -1.521 7.354 99 HA THR 17 HA THR 17 -0.978 -0.929 4.709 100 HB THR 17 HB THR 17 -3.179 -1.570 5.730 101 HG1 THR 17 HG1 THR 17 -3.226 -2.365 7.737 102 HG21 THR 17 HG21 THR 17 -2.689 -3.972 5.766 103 HG22 THR 17 HG22 THR 17 -0.976 -3.623 5.995 104 HG23 THR 17 HG23 THR 17 -1.757 -3.187 4.483 105 H VAL 18 H VAL 18 -0.486 0.502 7.787 106 HA VAL 18 HA VAL 18 -2.481 2.547 7.394 107 HB VAL 18 HB VAL 18 -0.261 2.396 9.457 108 HG11 VAL 18 HG11 VAL 18 -1.604 4.010 10.728 109 HG12 VAL 18 HG12 VAL 18 -2.751 4.090 9.390 110 HG13 VAL 18 HG13 VAL 18 -1.096 4.659 9.169 111 HG21 VAL 18 HG21 VAL 18 -3.153 1.572 9.698 112 HG22 VAL 18 HG22 VAL 18 -1.978 1.596 11.014 113 HG23 VAL 18 HG23 VAL 18 -1.765 0.487 9.660 114 H CYS 19 H CYS 19 -2.144 4.286 6.234 115 HA CYS 19 HA CYS 19 0.407 4.696 5.013 116 HB2 CYS 19 HB2 CYS 19 -2.182 6.224 4.722 117 HB3 CYS 19 HB3 CYS 19 -0.745 6.405 3.721 118 H ALA 20 H ALA 20 1.505 6.633 4.970 119 HA ALA 20 HA ALA 20 2.122 7.859 7.361 120 HB1 ALA 20 HB1 ALA 20 3.585 7.854 5.393 121 HB2 ALA 20 HB2 ALA 20 3.347 9.489 6.014 122 HB3 ALA 20 HB3 ALA 20 2.481 8.956 4.574 123 H SER 21 H SER 21 1.764 9.968 8.127 124 HA SER 21 HA SER 21 -0.839 10.825 8.290 125 HB2 SER 21 HB2 SER 21 1.615 12.524 8.687 126 HB3 SER 21 HB3 SER 21 0.091 12.587 9.578 127 HG SER 21 HG SER 21 1.419 11.491 10.871 128 H GLY 22 H GLY 22 -2.031 11.610 6.662 129 HA2 GLY 22 HA2 GLY 22 -2.514 13.597 5.375 130 HA3 GLY 22 HA3 GLY 22 -0.805 13.662 4.953 131 H THR 23 H THR 23 -1.345 10.525 4.786 132 HA THR 23 HA THR 23 -2.270 10.713 1.995 133 HB THR 23 HB THR 23 -0.832 8.745 1.445 134 HG1 THR 23 HG1 THR 23 -0.338 8.894 4.196 135 HG21 THR 23 HG21 THR 23 0.035 11.002 1.085 136 HG22 THR 23 HG22 THR 23 1.322 9.899 1.568 137 HG23 THR 23 HG23 THR 23 0.651 11.034 2.738 138 H THR 24 H THR 24 -3.610 9.035 1.237 139 HA THR 24 HA THR 24 -4.747 7.366 3.374 140 HB THR 24 HB THR 24 -6.963 7.633 2.081 141 HG1 THR 24 HG1 THR 24 -5.472 9.073 0.448 142 HG21 THR 24 HG21 THR 24 -6.568 8.583 4.310 143 HG22 THR 24 HG22 THR 24 -7.504 9.693 3.306 144 HG23 THR 24 HG23 THR 24 -5.788 9.982 3.574 145 H CYS 25 H CYS 25 -5.457 5.299 2.841 146 HA CYS 25 HA CYS 25 -3.982 4.105 0.729 147 HB2 CYS 25 HB2 CYS 25 -4.350 2.970 2.865 148 HB3 CYS 25 HB3 CYS 25 -6.083 2.928 2.535 149 H GLN 26 H GLN 26 -4.586 4.141 -1.341 150 HA GLN 26 HA GLN 26 -7.428 4.115 -1.968 151 HB2 GLN 26 HB2 GLN 26 -5.085 4.542 -3.818 152 HB3 GLN 26 HB3 GLN 26 -6.778 4.820 -4.173 153 HG2 GLN 26 HG2 GLN 26 -5.050 6.367 -2.276 154 HG3 GLN 26 HG3 GLN 26 -5.639 6.912 -3.840 155 HE21 GLN 26 HE21 GLN 26 -5.915 8.132 -1.322 156 HE22 GLN 26 HE22 GLN 26 -7.586 8.284 -0.951 157 H VAL 27 H VAL 27 -8.248 2.231 -2.698 158 HA VAL 27 HA VAL 27 -6.399 0.057 -3.216 159 HB VAL 27 HB VAL 27 -9.434 0.000 -3.295 160 HG11 VAL 27 HG11 VAL 27 -9.173 -2.440 -3.118 161 HG12 VAL 27 HG12 VAL 27 -7.421 -2.237 -3.131 162 HG13 VAL 27 HG13 VAL 27 -8.358 -1.805 -4.554 163 HG21 VAL 27 HG21 VAL 27 -9.310 -1.042 -1.070 164 HG22 VAL 27 HG22 VAL 27 -8.659 0.599 -1.064 165 HG23 VAL 27 HG23 VAL 27 -7.565 -0.782 -1.059 166 H LEU 28 H LEU 28 -5.512 0.152 -5.119 167 HA LEU 28 HA LEU 28 -6.903 1.306 -7.397 168 HB2 LEU 28 HB2 LEU 28 -4.132 0.120 -7.198 169 HB3 LEU 28 HB3 LEU 28 -4.765 0.984 -8.577 170 HG LEU 28 HG LEU 28 -4.226 2.179 -5.854 171 HD11 LEU 28 HD11 LEU 28 -2.779 2.458 -8.481 172 HD12 LEU 28 HD12 LEU 28 -2.205 1.609 -7.044 173 HD13 LEU 28 HD13 LEU 28 -2.419 3.357 -7.005 174 HD21 LEU 28 HD21 LEU 28 -4.618 4.299 -6.944 175 HD22 LEU 28 HD22 LEU 28 -6.073 3.287 -7.000 176 HD23 LEU 28 HD23 LEU 28 -5.039 3.455 -8.434 177 H ASN 29 H ASN 29 -5.377 -1.723 -6.474 178 HA ASN 29 HA ASN 29 -7.009 -3.146 -8.455 179 HB2 ASN 29 HB2 ASN 29 -4.175 -3.895 -7.551 180 HB3 ASN 29 HB3 ASN 29 -5.195 -4.820 -8.629 181 HD21 ASN 29 HD21 ASN 29 -4.723 -1.349 -8.843 182 HD22 ASN 29 HD22 ASN 29 -3.837 -1.389 -10.328 183 HA PRO 30 HA PRO 30 -8.296 -5.348 -4.823 184 HB2 PRO 30 HB2 PRO 30 -7.497 -7.952 -6.021 185 HB3 PRO 30 HB3 PRO 30 -9.067 -7.443 -5.398 186 HG2 PRO 30 HG2 PRO 30 -8.669 -7.634 -8.004 187 HG3 PRO 30 HG3 PRO 30 -9.623 -6.294 -7.337 188 HD2 PRO 30 HD2 PRO 30 -6.793 -6.317 -8.304 189 HD3 PRO 30 HD3 PRO 30 -8.037 -5.083 -8.558 190 H TYR 31 H TYR 31 -5.210 -6.466 -6.182 191 HA TYR 31 HA TYR 31 -4.325 -7.098 -3.454 192 HB2 TYR 31 HB2 TYR 31 -3.015 -7.632 -6.132 193 HB3 TYR 31 HB3 TYR 31 -2.315 -8.042 -4.582 194 HD1 TYR 31 HD1 TYR 31 -5.579 -8.607 -6.362 195 HD2 TYR 31 HD2 TYR 31 -2.466 -10.244 -3.988 196 HE1 TYR 31 HE1 TYR 31 -6.671 -10.800 -6.456 197 HE2 TYR 31 HE2 TYR 31 -3.546 -12.424 -4.060 198 HH TYR 31 HH TYR 31 -6.105 -13.101 -6.213 199 H TYR 32 H TYR 32 -3.845 -4.785 -6.007 200 HA TYR 32 HA TYR 32 -1.650 -3.665 -4.476 201 HB2 TYR 32 HB2 TYR 32 -1.267 -3.925 -6.909 202 HB3 TYR 32 HB3 TYR 32 -2.533 -2.734 -7.212 203 HD1 TYR 32 HD1 TYR 32 -1.870 -0.524 -7.527 204 HD2 TYR 32 HD2 TYR 32 0.543 -3.105 -5.151 205 HE1 TYR 32 HE1 TYR 32 -0.243 1.291 -7.211 206 HE2 TYR 32 HE2 TYR 32 2.179 -1.310 -4.834 207 HH TYR 32 HH TYR 32 2.867 0.672 -5.749 208 H SER 33 H SER 33 -2.079 -2.274 -2.986 209 HA SER 33 HA SER 33 -4.140 -0.265 -3.477 210 HB2 SER 33 HB2 SER 33 -3.214 -1.449 -0.828 211 HB3 SER 33 HB3 SER 33 -4.489 -0.247 -1.038 212 HG SER 33 HG SER 33 -5.736 -1.928 -1.172 213 H GLN 34 H GLN 34 -3.431 1.889 -2.968 214 HA GLN 34 HA GLN 34 -0.581 2.129 -2.322 215 HB2 GLN 34 HB2 GLN 34 -0.699 2.180 -4.723 216 HB3 GLN 34 HB3 GLN 34 -2.002 3.356 -4.677 217 HG2 GLN 34 HG2 GLN 34 -0.501 5.020 -3.770 218 HG3 GLN 34 HG3 GLN 34 0.797 3.825 -3.730 219 HE21 GLN 34 HE21 GLN 34 1.854 3.326 -5.576 220 HE22 GLN 34 HE22 GLN 34 1.596 4.137 -7.079 221 H CYS 35 H CYS 35 -0.102 3.775 -0.992 222 HA CYS 35 HA CYS 35 -2.232 5.338 0.134 223 HB2 CYS 35 HB2 CYS 35 0.745 5.687 0.623 224 HB3 CYS 35 HB3 CYS 35 -0.568 6.361 1.548 225 H LEU 36 H LEU 36 -3.042 7.051 -0.704 226 HA LEU 36 HA LEU 36 -1.415 9.109 -1.930 227 HB2 LEU 36 HB2 LEU 36 -4.004 8.010 -3.077 228 HB3 LEU 36 HB3 LEU 36 -3.137 9.400 -3.677 229 HG LEU 36 HG LEU 36 -2.110 6.564 -3.772 230 HD11 LEU 36 HD11 LEU 36 -4.010 6.854 -5.251 231 HD12 LEU 36 HD12 LEU 36 -2.521 6.748 -6.188 232 HD13 LEU 36 HD13 LEU 36 -3.287 8.313 -5.922 233 HD21 LEU 36 HD21 LEU 36 -0.398 7.496 -5.249 234 HD22 LEU 36 HD22 LEU 36 -0.327 8.225 -3.645 235 HD23 LEU 36 HD23 LEU 36 -1.055 9.111 -4.988 236 H2 BGC 101 H2 BGC 101 8.385 3.183 0.327 237 H3 BGC 101 H3 BGC 101 6.161 1.211 0.924 238 H4 BGC 101 H4 BGC 101 9.059 1.404 1.865 239 H5 BGC 101 H5 BGC 101 6.373 1.790 3.355 240 H6C1 BGC 101 H61 BGC 101 9.292 1.910 4.223 241 H6C2 BGC 101 H62 BGC 101 7.987 0.949 4.943 242 H1 BGC 101 H1 BGC 101 5.695 3.402 1.699 243 HB BGC 101 HO2 BGC 101 6.689 4.110 -0.928 244 HC BGC 101 HO3 BGC 101 7.169 1.058 -1.028 245 HD BGC 101 HO4 BGC 101 8.414 -0.418 3.148 246 H6 BGC 101 HO6 BGC 101 6.968 2.852 5.666
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