NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
616852 | 5x37 | 36053 | 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 -6.699 -7.359 5.634 2 H2 THR 1 H2 THR 1 -5.156 -7.292 6.219 3 H3 THR 1 H3 THR 1 -5.690 -8.708 5.441 4 HA THR 1 HA THR 1 -4.321 -7.424 3.936 5 HB THR 1 HB THR 1 -6.141 -6.789 2.232 6 HG1 THR 1 HG1 THR 1 -8.191 -8.030 3.230 7 HG21 THR 1 HG21 THR 1 -5.062 -9.010 2.258 8 HG22 THR 1 HG22 THR 1 -6.767 -9.124 1.820 9 HG23 THR 1 HG23 THR 1 -6.247 -9.557 3.447 10 H GLN 2 H GLN 2 -3.911 -5.351 2.923 11 HA GLN 2 HA GLN 2 -4.427 -3.251 4.797 12 HB2 GLN 2 HB2 GLN 2 -2.336 -3.875 3.081 13 HB3 GLN 2 HB3 GLN 2 -3.042 -2.444 2.356 14 HG2 GLN 2 HG2 GLN 2 -2.185 -2.661 5.240 15 HG3 GLN 2 HG3 GLN 2 -1.199 -1.952 3.979 16 HE21 GLN 2 HE21 GLN 2 -3.456 -0.678 2.676 17 HE22 GLN 2 HE22 GLN 2 -3.946 0.616 3.690 18 H SER 3 H SER 3 -5.650 -1.491 4.550 19 HA SER 3 HA SER 3 -7.906 -1.749 2.885 20 HB2 SER 3 HB2 SER 3 -8.437 0.417 4.183 21 HB3 SER 3 HB3 SER 3 -8.347 -1.114 5.055 22 HG SER 3 HG SER 3 -6.694 1.094 5.173 23 H HIS 4 H HIS 4 -8.832 0.079 1.785 24 HA HIS 4 HA HIS 4 -7.257 1.055 -0.344 25 HB2 HIS 4 HB2 HIS 4 -9.773 0.555 -0.255 26 HB3 HIS 4 HB3 HIS 4 -9.949 2.106 0.545 27 HD1 HIS 4 HD1 HIS 4 -11.464 2.826 -1.476 28 HD2 HIS 4 HD2 HIS 4 -7.534 1.992 -2.478 29 HE1 HIS 4 HE1 HIS 4 -11.186 3.633 -3.832 30 HE2 HIS 4 HE2 HIS 4 -8.956 2.698 -4.487 31 H TYR 5 H TYR 5 -6.076 2.867 -0.509 32 HA TYR 5 HA TYR 5 -5.139 4.824 -0.192 33 HB2 TYR 5 HB2 TYR 5 -7.655 5.462 1.328 34 HB3 TYR 5 HB3 TYR 5 -6.319 6.611 1.280 35 HD1 TYR 5 HD1 TYR 5 -8.989 5.028 -0.659 36 HD2 TYR 5 HD2 TYR 5 -5.671 7.677 -0.811 37 HE1 TYR 5 HE1 TYR 5 -9.729 5.824 -2.866 38 HE2 TYR 5 HE2 TYR 5 -6.405 8.484 -3.009 39 HH TYR 5 HH TYR 5 -7.735 7.719 -4.877 40 H GLY 6 H GLY 6 -4.812 2.537 1.690 41 HA2 GLY 6 HA2 GLY 6 -3.303 4.064 3.699 42 HA3 GLY 6 HA3 GLY 6 -3.837 2.397 3.914 43 H GLN 7 H GLN 7 -1.187 2.980 4.293 44 HA GLN 7 HA GLN 7 0.248 2.555 1.839 45 HB2 GLN 7 HB2 GLN 7 1.248 3.985 3.583 46 HB3 GLN 7 HB3 GLN 7 1.281 2.618 4.688 47 HG2 GLN 7 HG2 GLN 7 2.893 1.475 3.339 48 HG3 GLN 7 HG3 GLN 7 2.787 2.674 2.063 49 HE21 GLN 7 HE21 GLN 7 5.132 1.826 3.457 50 HE22 GLN 7 HE22 GLN 7 5.786 3.193 4.261 51 H CYS 8 H CYS 8 0.523 0.713 0.956 52 HA CYS 8 HA CYS 8 -0.186 -1.716 2.320 53 HB2 CYS 8 HB2 CYS 8 0.289 -2.747 0.070 54 HB3 CYS 8 HB3 CYS 8 -1.004 -1.554 0.134 55 H GLY 9 H GLY 9 2.768 -0.560 0.687 56 HA2 GLY 9 HA2 GLY 9 4.474 -1.777 2.537 57 HA3 GLY 9 HA3 GLY 9 4.188 -2.890 1.206 58 H GLY 10 H GLY 10 5.672 -0.010 2.205 59 HA2 GLY 10 HA2 GLY 10 7.018 0.155 -0.396 60 HA3 GLY 10 HA3 GLY 10 6.861 1.507 0.735 61 H ILE 11 H ILE 11 9.332 1.249 0.176 62 HA ILE 11 HA ILE 11 10.825 -0.747 1.451 63 HB ILE 11 HB ILE 11 11.589 2.134 0.854 64 HG12 ILE 11 HG12 ILE 11 12.089 -0.396 -0.737 65 HG13 ILE 11 HG13 ILE 11 10.910 0.848 -1.142 66 HG21 ILE 11 HG21 ILE 11 13.365 -0.227 1.463 67 HG22 ILE 11 HG22 ILE 11 13.082 1.160 2.517 68 HG23 ILE 11 HG23 ILE 11 13.910 1.377 0.973 69 HD11 ILE 11 HD11 ILE 11 13.899 1.214 -1.034 70 HD12 ILE 11 HD12 ILE 11 12.722 2.457 -1.463 71 HD13 ILE 11 HD13 ILE 11 12.927 1.043 -2.495 72 H GLY 12 H GLY 12 10.827 -1.191 3.572 73 HA2 GLY 12 HA2 GLY 12 11.535 -0.566 5.745 74 HA3 GLY 12 HA3 GLY 12 10.965 1.065 5.427 75 H TYR 13 H TYR 13 8.518 -0.486 4.173 76 HA TYR 13 HA TYR 13 7.040 -0.394 6.687 77 HB2 TYR 13 HB2 TYR 13 6.099 0.749 4.679 78 HB3 TYR 13 HB3 TYR 13 5.999 -0.811 3.875 79 HD1 TYR 13 HD1 TYR 13 4.305 -2.482 4.620 80 HD2 TYR 13 HD2 TYR 13 4.481 1.400 6.344 81 HE1 TYR 13 HE1 TYR 13 2.056 -2.806 5.547 82 HE2 TYR 13 HE2 TYR 13 2.227 1.088 7.282 83 HH TYR 13 HH TYR 13 0.215 -0.294 6.664 84 H SER 14 H SER 14 6.923 -2.169 7.806 85 HA SER 14 HA SER 14 7.003 -4.772 6.453 86 HB2 SER 14 HB2 SER 14 7.659 -3.954 9.295 87 HB3 SER 14 HB3 SER 14 7.782 -5.592 8.664 88 H GLY 15 H GLY 15 5.077 -5.791 6.386 89 HA2 GLY 15 HA2 GLY 15 3.429 -6.347 8.440 90 HA3 GLY 15 HA3 GLY 15 2.867 -4.776 7.870 91 HA PRO 16 HA PRO 16 0.800 -7.898 5.235 92 HB2 PRO 16 HB2 PRO 16 -1.581 -6.237 5.505 93 HB3 PRO 16 HB3 PRO 16 -1.354 -7.913 6.009 94 HG2 PRO 16 HG2 PRO 16 -1.631 -5.859 7.772 95 HG3 PRO 16 HG3 PRO 16 -0.710 -7.328 8.131 96 HD2 PRO 16 HD2 PRO 16 0.279 -4.629 7.283 97 HD3 PRO 16 HD3 PRO 16 0.942 -5.742 8.502 98 H THR 17 H THR 17 1.724 -7.355 3.328 99 HA THR 17 HA THR 17 1.417 -4.716 2.242 100 HB THR 17 HB THR 17 2.974 -5.708 0.459 101 HG1 THR 17 HG1 THR 17 3.064 -7.843 0.614 102 HG21 THR 17 HG21 THR 17 3.723 -4.329 2.406 103 HG22 THR 17 HG22 THR 17 4.918 -5.528 1.914 104 HG23 THR 17 HG23 THR 17 3.913 -5.811 3.333 105 H VAL 18 H VAL 18 -0.219 -7.595 2.087 106 HA VAL 18 HA VAL 18 -1.189 -7.346 -0.628 107 HB VAL 18 HB VAL 18 -2.186 -9.120 1.632 108 HG11 VAL 18 HG11 VAL 18 -2.743 -9.278 -1.333 109 HG12 VAL 18 HG12 VAL 18 -3.891 -8.789 -0.088 110 HG13 VAL 18 HG13 VAL 18 -3.279 -10.441 -0.120 111 HG21 VAL 18 HG21 VAL 18 -0.327 -9.758 -0.657 112 HG22 VAL 18 HG22 VAL 18 -0.942 -10.921 0.518 113 HG23 VAL 18 HG23 VAL 18 0.126 -9.619 1.040 114 H CYS 19 H CYS 19 -2.832 -6.088 -1.221 115 HA CYS 19 HA CYS 19 -4.272 -4.602 0.785 116 HB2 CYS 19 HB2 CYS 19 -4.333 -4.363 -2.260 117 HB3 CYS 19 HB3 CYS 19 -5.080 -3.266 -1.098 118 H ALA 20 H ALA 20 -6.640 -4.263 0.394 119 HA ALA 20 HA ALA 20 -7.995 -6.749 0.468 120 HB1 ALA 20 HB1 ALA 20 -9.116 -3.956 0.209 121 HB2 ALA 20 HB2 ALA 20 -8.774 -4.794 1.722 122 HB3 ALA 20 HB3 ALA 20 -10.035 -5.398 0.646 123 H SER 21 H SER 21 -9.675 -7.461 -0.967 124 HA SER 21 HA SER 21 -8.953 -7.734 -3.581 125 HB2 SER 21 HB2 SER 21 -11.722 -7.944 -2.399 126 HB3 SER 21 HB3 SER 21 -11.211 -8.631 -3.941 127 HG SER 21 HG SER 21 -11.056 -10.216 -2.474 128 H GLY 22 H GLY 22 -8.882 -6.424 -5.211 129 HA2 GLY 22 HA2 GLY 22 -9.995 -5.095 -6.818 130 HA3 GLY 22 HA3 GLY 22 -11.020 -4.462 -5.539 131 H THR 23 H THR 23 -8.252 -4.302 -4.017 132 HA THR 23 HA THR 23 -7.615 -1.706 -5.206 133 HB THR 23 HB THR 23 -6.763 -0.992 -2.972 134 HG1 THR 23 HG1 THR 23 -7.366 -3.638 -2.332 135 HG21 THR 23 HG21 THR 23 -9.622 -1.941 -3.007 136 HG22 THR 23 HG22 THR 23 -9.016 -0.414 -3.650 137 HG23 THR 23 HG23 THR 23 -8.958 -0.725 -1.917 138 H THR 24 H THR 24 -5.546 -1.177 -5.622 139 HA THR 24 HA THR 24 -3.760 -3.494 -5.625 140 HB THR 24 HB THR 24 -2.654 -2.328 -7.584 141 HG1 THR 24 HG1 THR 24 -4.829 -0.561 -7.116 142 HG21 THR 24 HG21 THR 24 -5.565 -3.064 -7.873 143 HG22 THR 24 HG22 THR 24 -4.208 -4.190 -7.887 144 HG23 THR 24 HG23 THR 24 -4.386 -3.004 -9.183 145 H CYS 25 H CYS 25 -1.771 -3.352 -4.811 146 HA CYS 25 HA CYS 25 -1.050 -1.065 -3.255 147 HB2 CYS 25 HB2 CYS 25 -0.463 -3.343 -2.505 148 HB3 CYS 25 HB3 CYS 25 0.517 -3.575 -3.947 149 H GLN 26 H GLN 26 -0.683 0.670 -4.525 150 HA GLN 26 HA GLN 26 1.170 0.362 -6.763 151 HB2 GLN 26 HB2 GLN 26 -0.679 2.643 -6.080 152 HB3 GLN 26 HB3 GLN 26 0.384 2.581 -7.476 153 HG2 GLN 26 HG2 GLN 26 -0.842 0.581 -8.261 154 HG3 GLN 26 HG3 GLN 26 -1.951 0.779 -6.904 155 HE21 GLN 26 HE21 GLN 26 -3.676 1.086 -8.252 156 HE22 GLN 26 HE22 GLN 26 -3.906 2.544 -9.164 157 H VAL 27 H VAL 27 3.129 1.059 -6.585 158 HA VAL 27 HA VAL 27 4.001 2.366 -4.181 159 HB VAL 27 HB VAL 27 5.585 1.771 -6.698 160 HG11 VAL 27 HG11 VAL 27 7.532 1.801 -5.214 161 HG12 VAL 27 HG12 VAL 27 6.487 2.247 -3.866 162 HG13 VAL 27 HG13 VAL 27 6.685 3.349 -5.229 163 HG21 VAL 27 HG21 VAL 27 5.216 0.029 -4.261 164 HG22 VAL 27 HG22 VAL 27 6.338 -0.290 -5.584 165 HG23 VAL 27 HG23 VAL 27 4.600 -0.294 -5.881 166 H LEU 28 H LEU 28 3.487 4.454 -4.030 167 HA LEU 28 HA LEU 28 3.248 6.113 -6.408 168 HB2 LEU 28 HB2 LEU 28 2.849 6.876 -3.515 169 HB3 LEU 28 HB3 LEU 28 2.362 7.798 -4.920 170 HG LEU 28 HG LEU 28 1.167 5.194 -3.976 171 HD11 LEU 28 HD11 LEU 28 -0.836 6.552 -3.619 172 HD12 LEU 28 HD12 LEU 28 0.068 7.992 -4.082 173 HD13 LEU 28 HD13 LEU 28 0.520 7.095 -2.633 174 HD21 LEU 28 HD21 LEU 28 0.441 6.893 -6.354 175 HD22 LEU 28 HD22 LEU 28 -0.463 5.492 -5.770 176 HD23 LEU 28 HD23 LEU 28 1.169 5.283 -6.411 177 H ASN 29 H ASN 29 5.107 5.895 -3.456 178 HA ASN 29 HA ASN 29 7.119 7.719 -4.562 179 HB2 ASN 29 HB2 ASN 29 6.245 7.514 -1.650 180 HB3 ASN 29 HB3 ASN 29 7.490 8.568 -2.285 181 HD21 ASN 29 HD21 ASN 29 5.097 9.264 -0.747 182 HD22 ASN 29 HD22 ASN 29 4.219 10.340 -1.746 183 HA PRO 30 HA PRO 30 10.106 4.525 -3.661 184 HB2 PRO 30 HB2 PRO 30 11.330 6.253 -1.559 185 HB3 PRO 30 HB3 PRO 30 12.108 5.398 -2.895 186 HG2 PRO 30 HG2 PRO 30 11.733 8.003 -3.054 187 HG3 PRO 30 HG3 PRO 30 11.434 6.973 -4.467 188 HD2 PRO 30 HD2 PRO 30 9.485 8.248 -2.606 189 HD3 PRO 30 HD3 PRO 30 9.366 8.019 -4.362 190 H TYR 31 H TYR 31 8.885 6.097 -0.694 191 HA TYR 31 HA TYR 31 9.068 3.451 0.577 192 HB2 TYR 31 HB2 TYR 31 8.778 6.147 1.923 193 HB3 TYR 31 HB3 TYR 31 9.037 4.602 2.718 194 HD1 TYR 31 HD1 TYR 31 10.602 7.271 0.757 195 HD2 TYR 31 HD2 TYR 31 11.236 3.553 2.706 196 HE1 TYR 31 HE1 TYR 31 13.016 7.602 0.584 197 HE2 TYR 31 HE2 TYR 31 13.661 3.877 2.548 198 HH TYR 31 HH TYR 31 15.037 6.850 1.733 199 H TYR 32 H TYR 32 6.891 5.957 -0.420 200 HA TYR 32 HA TYR 32 4.744 4.775 1.131 201 HB2 TYR 32 HB2 TYR 32 5.030 7.280 0.938 202 HB3 TYR 32 HB3 TYR 32 4.503 7.123 -0.734 203 HD1 TYR 32 HD1 TYR 32 3.470 6.502 2.751 204 HD2 TYR 32 HD2 TYR 32 2.178 7.052 -1.266 205 HE1 TYR 32 HE1 TYR 32 1.154 6.650 3.527 206 HE2 TYR 32 HE2 TYR 32 -0.156 7.202 -0.486 207 HH TYR 32 HH TYR 32 -0.876 7.561 2.837 208 H SER 33 H SER 33 3.730 3.131 0.344 209 HA SER 33 HA SER 33 2.955 3.155 -2.477 210 HB2 SER 33 HB2 SER 33 3.493 0.729 -0.731 211 HB3 SER 33 HB3 SER 33 3.102 0.718 -2.454 212 HG SER 33 HG SER 33 5.216 2.328 -1.926 213 H GLN 34 H GLN 34 0.738 2.770 -2.774 214 HA GLN 34 HA GLN 34 -0.827 2.637 -0.284 215 HB2 GLN 34 HB2 GLN 34 -0.578 4.956 -0.935 216 HB3 GLN 34 HB3 GLN 34 -1.103 4.585 -2.563 217 HG2 GLN 34 HG2 GLN 34 -3.329 4.095 -1.760 218 HG3 GLN 34 HG3 GLN 34 -2.807 4.358 -0.096 219 HE21 GLN 34 HE21 GLN 34 -2.408 6.456 0.607 220 HE22 GLN 34 HE22 GLN 34 -2.954 7.822 -0.281 221 H CYS 35 H CYS 35 -2.752 1.492 -0.411 222 HA CYS 35 HA CYS 35 -3.184 -0.114 -2.733 223 HB2 CYS 35 HB2 CYS 35 -4.957 0.151 -0.291 224 HB3 CYS 35 HB3 CYS 35 -4.961 -1.100 -1.505 225 H LEU 36 H LEU 36 -4.037 0.819 -4.414 226 HA LEU 36 HA LEU 36 -6.296 2.649 -4.092 227 HB2 LEU 36 HB2 LEU 36 -4.275 2.391 -6.318 228 HB3 LEU 36 HB3 LEU 36 -5.705 3.401 -6.408 229 HG LEU 36 HG LEU 36 -3.463 3.744 -4.420 230 HD11 LEU 36 HD11 LEU 36 -2.778 4.324 -6.688 231 HD12 LEU 36 HD12 LEU 36 -2.940 5.765 -5.685 232 HD13 LEU 36 HD13 LEU 36 -4.194 5.360 -6.857 233 HD21 LEU 36 HD21 LEU 36 -5.589 4.459 -3.503 234 HD22 LEU 36 HD22 LEU 36 -5.935 5.377 -4.965 235 HD23 LEU 36 HD23 LEU 36 -4.609 5.865 -3.914 236 H1 MAN 101 H1 MAN 101 9.811 -6.214 7.855 237 H2 MAN 101 H2 MAN 101 11.794 -4.678 7.871 238 H3 MAN 101 H3 MAN 101 10.943 -2.949 6.331 239 H4 MAN 101 H4 MAN 101 11.151 -5.116 4.173 240 H5 MAN 101 H5 MAN 101 8.674 -3.737 5.338 241 H61 MAN 101 H61 MAN 101 7.437 -5.384 4.101 242 H62 MAN 101 H62 MAN 101 8.908 -6.152 3.456 243 HO2 MAN 101 HO2 MAN 101 11.413 -6.441 5.644 244 HO3 MAN 101 HO3 MAN 101 13.129 -4.493 5.328 245 HO4 MAN 101 HO4 MAN 101 10.148 -3.432 2.985 246 HO6 MAN 101 HO6 MAN 101 7.747 -3.596 2.946 Start of MODEL 2 1 H1 THR 1 H1 THR 1 -6.370 -9.064 5.111 2 H2 THR 1 H2 THR 1 -7.259 -7.625 5.177 3 H3 THR 1 H3 THR 1 -5.885 -7.798 6.149 4 HA THR 1 HA THR 1 -4.531 -7.808 4.207 5 HB THR 1 HB THR 1 -5.777 -7.003 2.076 6 HG1 THR 1 HG1 THR 1 -7.984 -8.011 2.103 7 HG21 THR 1 HG21 THR 1 -4.725 -9.214 2.268 8 HG22 THR 1 HG22 THR 1 -6.244 -9.316 1.381 9 HG23 THR 1 HG23 THR 1 -6.171 -9.833 3.064 10 H GLN 2 H GLN 2 -4.071 -5.665 2.981 11 HA GLN 2 HA GLN 2 -4.379 -3.710 5.047 12 HB2 GLN 2 HB2 GLN 2 -2.245 -4.383 3.656 13 HB3 GLN 2 HB3 GLN 2 -2.849 -3.205 2.508 14 HG2 GLN 2 HG2 GLN 2 -2.356 -2.574 5.415 15 HG3 GLN 2 HG3 GLN 2 -1.117 -2.380 4.187 16 HE21 GLN 2 HE21 GLN 2 -2.931 -1.406 2.167 17 HE22 GLN 2 HE22 GLN 2 -3.420 0.155 2.660 18 H SER 3 H SER 3 -5.425 -1.849 4.965 19 HA SER 3 HA SER 3 -7.841 -1.659 3.634 20 HB2 SER 3 HB2 SER 3 -6.344 0.514 5.071 21 HB3 SER 3 HB3 SER 3 -8.091 0.363 4.874 22 HG SER 3 HG SER 3 -8.158 -1.219 6.289 23 H HIS 4 H HIS 4 -8.686 -0.023 2.300 24 HA HIS 4 HA HIS 4 -7.180 0.712 0.005 25 HB2 HIS 4 HB2 HIS 4 -9.710 0.271 0.172 26 HB3 HIS 4 HB3 HIS 4 -9.835 1.852 0.917 27 HD1 HIS 4 HD1 HIS 4 -11.466 2.175 -1.237 28 HD2 HIS 4 HD2 HIS 4 -7.411 1.949 -2.014 29 HE1 HIS 4 HE1 HIS 4 -11.181 2.956 -3.616 30 HE2 HIS 4 HE2 HIS 4 -8.808 2.225 -4.089 31 H TYR 5 H TYR 5 -6.091 2.595 -0.378 32 HA TYR 5 HA TYR 5 -5.137 4.536 -0.130 33 HB2 TYR 5 HB2 TYR 5 -7.468 5.163 1.669 34 HB3 TYR 5 HB3 TYR 5 -6.148 6.305 1.458 35 HD1 TYR 5 HD1 TYR 5 -9.114 4.840 -0.049 36 HD2 TYR 5 HD2 TYR 5 -5.714 7.288 -0.754 37 HE1 TYR 5 HE1 TYR 5 -10.162 5.709 -2.101 38 HE2 TYR 5 HE2 TYR 5 -6.747 8.158 -2.796 39 HH TYR 5 HH TYR 5 -10.013 7.690 -3.500 40 H GLY 6 H GLY 6 -4.933 2.226 1.942 41 HA2 GLY 6 HA2 GLY 6 -3.328 3.680 3.879 42 HA3 GLY 6 HA3 GLY 6 -3.721 1.961 3.940 43 H GLN 7 H GLN 7 -1.146 2.971 4.303 44 HA GLN 7 HA GLN 7 0.412 2.646 1.929 45 HB2 GLN 7 HB2 GLN 7 1.239 3.990 3.799 46 HB3 GLN 7 HB3 GLN 7 1.208 2.586 4.846 47 HG2 GLN 7 HG2 GLN 7 2.984 1.556 3.590 48 HG3 GLN 7 HG3 GLN 7 3.023 2.872 2.431 49 HE21 GLN 7 HE21 GLN 7 5.205 3.547 2.953 50 HE22 GLN 7 HE22 GLN 7 5.541 4.224 4.487 51 H CYS 8 H CYS 8 0.674 0.841 0.943 52 HA CYS 8 HA CYS 8 0.024 -1.668 2.237 53 HB2 CYS 8 HB2 CYS 8 0.240 -2.568 -0.084 54 HB3 CYS 8 HB3 CYS 8 -1.020 -1.368 0.178 55 H GLY 9 H GLY 9 2.946 -0.245 0.781 56 HA2 GLY 9 HA2 GLY 9 4.616 -2.001 2.168 57 HA3 GLY 9 HA3 GLY 9 4.217 -2.771 0.647 58 H GLY 10 H GLY 10 5.474 0.164 2.037 59 HA2 GLY 10 HA2 GLY 10 7.182 0.406 -0.335 60 HA3 GLY 10 HA3 GLY 10 6.728 1.754 0.717 61 H ILE 11 H ILE 11 9.337 1.416 0.322 62 HA ILE 11 HA ILE 11 10.688 -0.289 2.084 63 HB ILE 11 HB ILE 11 11.487 2.460 1.077 64 HG12 ILE 11 HG12 ILE 11 12.186 -0.296 0.040 65 HG13 ILE 11 HG13 ILE 11 11.046 0.815 -0.702 66 HG21 ILE 11 HG21 ILE 11 12.799 1.861 3.039 67 HG22 ILE 11 HG22 ILE 11 13.806 1.785 1.590 68 HG23 ILE 11 HG23 ILE 11 13.191 0.301 2.319 69 HD11 ILE 11 HD11 ILE 11 13.173 0.835 -1.864 70 HD12 ILE 11 HD12 ILE 11 13.999 1.271 -0.369 71 HD13 ILE 11 HD13 ILE 11 12.859 2.396 -1.107 72 H GLY 12 H GLY 12 10.748 -0.299 4.231 73 HA2 GLY 12 HA2 GLY 12 11.119 0.951 6.308 74 HA3 GLY 12 HA3 GLY 12 10.085 2.204 5.633 75 H TYR 13 H TYR 13 8.276 0.165 4.507 76 HA TYR 13 HA TYR 13 6.775 -0.352 6.966 77 HB2 TYR 13 HB2 TYR 13 5.609 1.041 5.292 78 HB3 TYR 13 HB3 TYR 13 5.861 -0.197 4.074 79 HD1 TYR 13 HD1 TYR 13 3.919 0.725 7.059 80 HD2 TYR 13 HD2 TYR 13 4.468 -2.177 4.020 81 HE1 TYR 13 HE1 TYR 13 1.756 -0.304 7.645 82 HE2 TYR 13 HE2 TYR 13 2.324 -3.202 4.583 83 HH TYR 13 HH TYR 13 0.651 -3.227 5.944 84 H SER 14 H SER 14 5.951 -2.437 7.354 85 HA SER 14 HA SER 14 6.194 -4.456 5.407 86 HB2 SER 14 HB2 SER 14 7.597 -5.949 6.934 87 HB3 SER 14 HB3 SER 14 8.432 -4.665 6.064 88 H GLY 15 H GLY 15 5.205 -6.476 6.095 89 HA2 GLY 15 HA2 GLY 15 3.924 -7.532 7.948 90 HA3 GLY 15 HA3 GLY 15 3.210 -5.941 8.188 91 HA PRO 16 HA PRO 16 0.202 -7.627 5.285 92 HB2 PRO 16 HB2 PRO 16 -1.408 -5.267 5.752 93 HB3 PRO 16 HB3 PRO 16 -1.740 -6.922 6.264 94 HG2 PRO 16 HG2 PRO 16 -1.120 -4.855 7.970 95 HG3 PRO 16 HG3 PRO 16 -0.889 -6.564 8.350 96 HD2 PRO 16 HD2 PRO 16 1.089 -4.520 7.483 97 HD3 PRO 16 HD3 PRO 16 1.286 -5.883 8.614 98 H THR 17 H THR 17 1.303 -7.322 3.396 99 HA THR 17 HA THR 17 1.548 -4.647 2.325 100 HB THR 17 HB THR 17 2.910 -5.942 0.597 101 HG1 THR 17 HG1 THR 17 3.382 -8.010 1.039 102 HG21 THR 17 HG21 THR 17 3.798 -5.941 3.487 103 HG22 THR 17 HG22 THR 17 3.898 -4.572 2.382 104 HG23 THR 17 HG23 THR 17 4.864 -6.021 2.081 105 H VAL 18 H VAL 18 -0.302 -7.449 2.035 106 HA VAL 18 HA VAL 18 -1.116 -6.924 -0.685 107 HB VAL 18 HB VAL 18 -2.100 -9.019 1.268 108 HG11 VAL 18 HG11 VAL 18 -3.729 -8.566 -0.498 109 HG12 VAL 18 HG12 VAL 18 -2.983 -10.151 -0.710 110 HG13 VAL 18 HG13 VAL 18 -2.477 -8.795 -1.720 111 HG21 VAL 18 HG21 VAL 18 -0.688 -10.548 -0.020 112 HG22 VAL 18 HG22 VAL 18 0.248 -9.280 0.779 113 HG23 VAL 18 HG23 VAL 18 -0.076 -9.180 -0.949 114 H CYS 19 H CYS 19 -2.750 -5.740 -1.205 115 HA CYS 19 HA CYS 19 -4.306 -4.377 0.768 116 HB2 CYS 19 HB2 CYS 19 -4.480 -4.308 -2.252 117 HB3 CYS 19 HB3 CYS 19 -5.142 -3.128 -1.123 118 H ALA 20 H ALA 20 -6.684 -4.206 0.461 119 HA ALA 20 HA ALA 20 -7.952 -6.728 0.494 120 HB1 ALA 20 HB1 ALA 20 -8.808 -4.777 1.729 121 HB2 ALA 20 HB2 ALA 20 -10.039 -5.443 0.656 122 HB3 ALA 20 HB3 ALA 20 -9.173 -3.974 0.202 123 H SER 21 H SER 21 -9.382 -7.655 -1.061 124 HA SER 21 HA SER 21 -8.602 -7.579 -3.685 125 HB2 SER 21 HB2 SER 21 -11.323 -8.353 -2.621 126 HB3 SER 21 HB3 SER 21 -10.607 -8.882 -4.142 127 HG SER 21 HG SER 21 -8.935 -9.838 -2.942 128 H GLY 22 H GLY 22 -8.887 -6.174 -5.246 129 HA2 GLY 22 HA2 GLY 22 -10.373 -4.870 -6.617 130 HA3 GLY 22 HA3 GLY 22 -11.195 -4.355 -5.147 131 H THR 23 H THR 23 -8.288 -4.259 -4.025 132 HA THR 23 HA THR 23 -7.690 -1.651 -5.183 133 HB THR 23 HB THR 23 -6.821 -0.912 -2.983 134 HG1 THR 23 HG1 THR 23 -7.428 -3.580 -2.287 135 HG21 THR 23 HG21 THR 23 -8.952 -0.789 -1.782 136 HG22 THR 23 HG22 THR 23 -9.605 -2.041 -2.840 137 HG23 THR 23 HG23 THR 23 -9.151 -0.474 -3.506 138 H THR 24 H THR 24 -5.567 -1.170 -5.579 139 HA THR 24 HA THR 24 -3.833 -3.533 -5.606 140 HB THR 24 HB THR 24 -2.824 -2.446 -7.647 141 HG1 THR 24 HG1 THR 24 -4.975 -0.641 -7.159 142 HG21 THR 24 HG21 THR 24 -4.627 -3.197 -9.154 143 HG22 THR 24 HG22 THR 24 -5.752 -3.195 -7.796 144 HG23 THR 24 HG23 THR 24 -4.406 -4.328 -7.818 145 H CYS 25 H CYS 25 -1.675 -3.276 -4.986 146 HA CYS 25 HA CYS 25 -1.115 -0.928 -3.421 147 HB2 CYS 25 HB2 CYS 25 -0.409 -3.159 -2.601 148 HB3 CYS 25 HB3 CYS 25 0.604 -3.352 -4.028 149 H GLN 26 H GLN 26 -0.697 0.819 -4.605 150 HA GLN 26 HA GLN 26 1.124 0.451 -6.826 151 HB2 GLN 26 HB2 GLN 26 -0.895 2.644 -6.340 152 HB3 GLN 26 HB3 GLN 26 0.246 2.626 -7.682 153 HG2 GLN 26 HG2 GLN 26 -0.706 0.491 -8.454 154 HG3 GLN 26 HG3 GLN 26 -1.872 0.549 -7.140 155 HE21 GLN 26 HE21 GLN 26 -3.587 0.496 -8.553 156 HE22 GLN 26 HE22 GLN 26 -4.037 1.805 -9.566 157 H VAL 27 H VAL 27 3.051 1.028 -6.648 158 HA VAL 27 HA VAL 27 4.068 2.401 -4.361 159 HB VAL 27 HB VAL 27 5.468 1.473 -6.897 160 HG11 VAL 27 HG11 VAL 27 6.647 2.283 -4.242 161 HG12 VAL 27 HG12 VAL 27 6.766 3.190 -5.750 162 HG13 VAL 27 HG13 VAL 27 7.544 1.614 -5.603 163 HG21 VAL 27 HG21 VAL 27 5.272 0.151 -4.200 164 HG22 VAL 27 HG22 VAL 27 6.204 -0.443 -5.575 165 HG23 VAL 27 HG23 VAL 27 4.442 -0.363 -5.666 166 H LEU 28 H LEU 28 3.766 4.501 -4.246 167 HA LEU 28 HA LEU 28 3.765 6.114 -6.668 168 HB2 LEU 28 HB2 LEU 28 3.209 6.931 -3.810 169 HB3 LEU 28 HB3 LEU 28 2.936 7.909 -5.234 170 HG LEU 28 HG LEU 28 1.428 5.420 -4.452 171 HD11 LEU 28 HD11 LEU 28 0.566 8.290 -4.668 172 HD12 LEU 28 HD12 LEU 28 0.798 7.368 -3.181 173 HD13 LEU 28 HD13 LEU 28 -0.485 6.920 -4.305 174 HD21 LEU 28 HD21 LEU 28 1.682 5.450 -6.863 175 HD22 LEU 28 HD22 LEU 28 1.165 7.131 -6.918 176 HD23 LEU 28 HD23 LEU 28 0.023 5.874 -6.434 177 H ASN 29 H ASN 29 5.426 5.797 -3.604 178 HA ASN 29 HA ASN 29 7.778 7.145 -4.742 179 HB2 ASN 29 HB2 ASN 29 6.829 7.272 -1.848 180 HB3 ASN 29 HB3 ASN 29 8.339 7.924 -2.447 181 HD21 ASN 29 HD21 ASN 29 6.344 9.251 -1.000 182 HD22 ASN 29 HD22 ASN 29 5.734 10.542 -1.968 183 HA PRO 30 HA PRO 30 9.857 3.383 -3.547 184 HB2 PRO 30 HB2 PRO 30 11.633 4.907 -1.695 185 HB3 PRO 30 HB3 PRO 30 12.065 3.782 -2.987 186 HG2 PRO 30 HG2 PRO 30 12.373 6.376 -3.353 187 HG3 PRO 30 HG3 PRO 30 11.727 5.366 -4.659 188 HD2 PRO 30 HD2 PRO 30 10.290 7.202 -2.792 189 HD3 PRO 30 HD3 PRO 30 10.025 6.956 -4.530 190 H TYR 31 H TYR 31 9.122 5.604 -0.883 191 HA TYR 31 HA TYR 31 8.919 3.317 0.960 192 HB2 TYR 31 HB2 TYR 31 8.606 6.231 1.688 193 HB3 TYR 31 HB3 TYR 31 9.072 4.889 2.718 194 HD1 TYR 31 HD1 TYR 31 10.225 7.432 0.405 195 HD2 TYR 31 HD2 TYR 31 11.364 3.940 2.537 196 HE1 TYR 31 HE1 TYR 31 12.582 7.957 -0.014 197 HE2 TYR 31 HE2 TYR 31 13.725 4.457 2.119 198 HH TYR 31 HH TYR 31 15.026 5.715 0.451 199 H TYR 32 H TYR 32 7.045 5.792 -0.674 200 HA TYR 32 HA TYR 32 4.720 5.049 0.876 201 HB2 TYR 32 HB2 TYR 32 5.233 7.485 0.429 202 HB3 TYR 32 HB3 TYR 32 4.763 7.188 -1.244 203 HD1 TYR 32 HD1 TYR 32 2.537 7.577 -1.823 204 HD2 TYR 32 HD2 TYR 32 3.512 6.651 2.211 205 HE1 TYR 32 HE1 TYR 32 0.186 7.924 -1.167 206 HE2 TYR 32 HE2 TYR 32 1.179 6.998 2.869 207 HH TYR 32 HH TYR 32 -1.333 7.335 0.573 208 H SER 33 H SER 33 3.548 3.459 0.243 209 HA SER 33 HA SER 33 2.872 3.243 -2.583 210 HB2 SER 33 HB2 SER 33 3.444 0.921 -0.714 211 HB3 SER 33 HB3 SER 33 3.020 0.809 -2.423 212 HG SER 33 HG SER 33 5.102 2.424 -2.217 213 H GLN 34 H GLN 34 0.673 3.055 -2.811 214 HA GLN 34 HA GLN 34 -0.834 2.747 -0.317 215 HB2 GLN 34 HB2 GLN 34 -0.733 5.101 -0.703 216 HB3 GLN 34 HB3 GLN 34 -1.090 4.905 -2.406 217 HG2 GLN 34 HG2 GLN 34 -3.361 4.316 -1.917 218 HG3 GLN 34 HG3 GLN 34 -3.015 4.284 -0.187 219 HE21 GLN 34 HE21 GLN 34 -3.032 6.172 0.956 220 HE22 GLN 34 HE22 GLN 34 -3.437 7.693 0.275 221 H CYS 35 H CYS 35 -2.685 1.573 -0.446 222 HA CYS 35 HA CYS 35 -3.143 0.049 -2.800 223 HB2 CYS 35 HB2 CYS 35 -4.877 0.282 -0.326 224 HB3 CYS 35 HB3 CYS 35 -4.963 -0.931 -1.580 225 H LEU 36 H LEU 36 -4.050 0.919 -4.463 226 HA LEU 36 HA LEU 36 -6.226 2.837 -4.126 227 HB2 LEU 36 HB2 LEU 36 -4.365 2.356 -6.465 228 HB3 LEU 36 HB3 LEU 36 -5.700 3.489 -6.474 229 HG LEU 36 HG LEU 36 -3.284 3.685 -4.666 230 HD11 LEU 36 HD11 LEU 36 -2.711 4.092 -7.003 231 HD12 LEU 36 HD12 LEU 36 -2.627 5.571 -6.045 232 HD13 LEU 36 HD13 LEU 36 -4.005 5.288 -7.109 233 HD21 LEU 36 HD21 LEU 36 -4.144 5.926 -4.163 234 HD22 LEU 36 HD22 LEU 36 -5.270 4.672 -3.659 235 HD23 LEU 36 HD23 LEU 36 -5.576 5.593 -5.135 236 H1 MAN 101 H1 MAN 101 9.650 -5.807 8.232 237 H2 MAN 101 H2 MAN 101 9.319 -4.667 10.464 238 H3 MAN 101 H3 MAN 101 9.081 -2.362 9.728 239 H4 MAN 101 H4 MAN 101 11.996 -2.673 8.857 240 H5 MAN 101 H5 MAN 101 9.429 -2.268 7.279 241 H61 MAN 101 H61 MAN 101 12.283 -2.637 6.267 242 H62 MAN 101 H62 MAN 101 11.423 -1.088 6.285 243 HO2 MAN 101 HO2 MAN 101 11.271 -5.749 9.981 244 HO3 MAN 101 HO3 MAN 101 11.549 -2.886 11.054 245 HO4 MAN 101 HO4 MAN 101 10.178 -0.465 8.675 246 HO6 MAN 101 HO6 MAN 101 9.751 -2.747 5.074 Start of MODEL 3 1 H1 THR 1 H1 THR 1 -6.580 -9.426 4.561 2 H2 THR 1 H2 THR 1 -7.388 -8.007 4.974 3 H3 THR 1 H3 THR 1 -5.883 -8.333 5.671 4 HA THR 1 HA THR 1 -4.895 -8.105 3.489 5 HB THR 1 HB THR 1 -6.450 -7.007 1.785 6 HG1 THR 1 HG1 THR 1 -8.727 -7.980 2.301 7 HG21 THR 1 HG21 THR 1 -7.326 -9.171 0.978 8 HG22 THR 1 HG22 THR 1 -6.961 -9.899 2.543 9 HG23 THR 1 HG23 THR 1 -5.653 -9.316 1.515 10 H GLN 2 H GLN 2 -4.402 -5.886 2.669 11 HA GLN 2 HA GLN 2 -4.628 -3.998 4.827 12 HB2 GLN 2 HB2 GLN 2 -2.671 -4.581 3.053 13 HB3 GLN 2 HB3 GLN 2 -3.435 -3.250 2.207 14 HG2 GLN 2 HG2 GLN 2 -2.247 -3.157 4.977 15 HG3 GLN 2 HG3 GLN 2 -1.556 -2.468 3.517 16 HE21 GLN 2 HE21 GLN 2 -2.633 -0.765 2.570 17 HE22 GLN 2 HE22 GLN 2 -3.653 0.279 3.494 18 H SER 3 H SER 3 -5.621 -1.935 4.643 19 HA SER 3 HA SER 3 -8.089 -1.981 3.173 20 HB2 SER 3 HB2 SER 3 -6.979 0.020 5.139 21 HB3 SER 3 HB3 SER 3 -8.650 -0.068 4.580 22 HG SER 3 HG SER 3 -8.741 -1.205 6.360 23 H HIS 4 H HIS 4 -8.897 0.057 2.193 24 HA HIS 4 HA HIS 4 -7.183 0.900 0.053 25 HB2 HIS 4 HB2 HIS 4 -9.736 0.509 -0.015 26 HB3 HIS 4 HB3 HIS 4 -9.884 2.040 0.823 27 HD1 HIS 4 HD1 HIS 4 -11.220 2.970 -1.235 28 HD2 HIS 4 HD2 HIS 4 -7.323 1.862 -2.072 29 HE1 HIS 4 HE1 HIS 4 -10.772 3.799 -3.564 30 HE2 HIS 4 HE2 HIS 4 -8.588 2.636 -4.112 31 H TYR 5 H TYR 5 -6.074 2.824 -0.112 32 HA TYR 5 HA TYR 5 -5.152 4.785 0.375 33 HB2 TYR 5 HB2 TYR 5 -7.579 5.205 2.119 34 HB3 TYR 5 HB3 TYR 5 -6.292 6.399 2.002 35 HD1 TYR 5 HD1 TYR 5 -9.259 5.091 0.478 36 HD2 TYR 5 HD2 TYR 5 -5.746 7.354 -0.271 37 HE1 TYR 5 HE1 TYR 5 -10.282 6.000 -1.554 38 HE2 TYR 5 HE2 TYR 5 -6.760 8.274 -2.311 39 HH TYR 5 HH TYR 5 -8.516 7.724 -3.912 40 H GLY 6 H GLY 6 -4.735 2.333 1.936 41 HA2 GLY 6 HA2 GLY 6 -3.219 3.650 4.070 42 HA3 GLY 6 HA3 GLY 6 -3.766 1.972 4.157 43 H GLN 7 H GLN 7 -1.065 2.997 4.349 44 HA GLN 7 HA GLN 7 0.327 2.469 1.938 45 HB2 GLN 7 HB2 GLN 7 1.278 3.891 3.683 46 HB3 GLN 7 HB3 GLN 7 1.277 2.547 4.811 47 HG2 GLN 7 HG2 GLN 7 2.954 1.404 3.484 48 HG3 GLN 7 HG3 GLN 7 2.917 2.698 2.287 49 HE21 GLN 7 HE21 GLN 7 5.151 3.142 2.598 50 HE22 GLN 7 HE22 GLN 7 5.694 3.929 4.013 51 H CYS 8 H CYS 8 0.736 0.588 1.035 52 HA CYS 8 HA CYS 8 0.073 -1.854 2.441 53 HB2 CYS 8 HB2 CYS 8 0.503 -2.885 0.149 54 HB3 CYS 8 HB3 CYS 8 -0.857 -1.774 0.283 55 H GLY 9 H GLY 9 2.916 -0.448 0.858 56 HA2 GLY 9 HA2 GLY 9 4.688 -1.478 2.687 57 HA3 GLY 9 HA3 GLY 9 4.507 -2.724 1.464 58 H GLY 10 H GLY 10 5.843 0.281 2.289 59 HA2 GLY 10 HA2 GLY 10 7.186 0.375 -0.319 60 HA3 GLY 10 HA3 GLY 10 6.998 1.762 0.767 61 H ILE 11 H ILE 11 9.499 1.455 0.174 62 HA ILE 11 HA ILE 11 10.983 -0.480 1.532 63 HB ILE 11 HB ILE 11 11.794 2.375 0.881 64 HG12 ILE 11 HG12 ILE 11 12.274 -0.200 -0.641 65 HG13 ILE 11 HG13 ILE 11 11.096 1.029 -1.075 66 HG21 ILE 11 HG21 ILE 11 14.114 1.586 1.045 67 HG22 ILE 11 HG22 ILE 11 13.538 -0.004 1.536 68 HG23 ILE 11 HG23 ILE 11 13.270 1.391 2.582 69 HD11 ILE 11 HD11 ILE 11 13.092 1.182 -2.446 70 HD12 ILE 11 HD12 ILE 11 14.082 1.394 -1.000 71 HD13 ILE 11 HD13 ILE 11 12.903 2.628 -1.454 72 H GLY 12 H GLY 12 11.044 -0.913 3.618 73 HA2 GLY 12 HA2 GLY 12 11.821 -0.310 5.791 74 HA3 GLY 12 HA3 GLY 12 11.196 1.310 5.525 75 H TYR 13 H TYR 13 8.752 -0.189 4.317 76 HA TYR 13 HA TYR 13 7.292 -0.007 6.787 77 HB2 TYR 13 HB2 TYR 13 6.273 0.997 4.821 78 HB3 TYR 13 HB3 TYR 13 6.327 -0.533 3.962 79 HD1 TYR 13 HD1 TYR 13 4.570 1.425 6.512 80 HD2 TYR 13 HD2 TYR 13 4.707 -2.312 4.491 81 HE1 TYR 13 HE1 TYR 13 2.324 0.876 7.362 82 HE2 TYR 13 HE2 TYR 13 2.480 -2.858 5.315 83 HH TYR 13 HH TYR 13 0.417 -0.647 6.604 84 H SER 14 H SER 14 6.415 -1.604 7.933 85 HA SER 14 HA SER 14 6.625 -4.371 6.955 86 HB2 SER 14 HB2 SER 14 6.886 -3.399 9.793 87 HB3 SER 14 HB3 SER 14 7.101 -5.059 9.237 88 H GLY 15 H GLY 15 4.550 -5.055 6.609 89 HA2 GLY 15 HA2 GLY 15 2.607 -5.159 8.586 90 HA3 GLY 15 HA3 GLY 15 2.296 -3.735 7.596 91 HA PRO 16 HA PRO 16 0.378 -7.336 5.411 92 HB2 PRO 16 HB2 PRO 16 -1.884 -5.546 4.974 93 HB3 PRO 16 HB3 PRO 16 -1.860 -7.102 5.804 94 HG2 PRO 16 HG2 PRO 16 -2.254 -4.745 7.100 95 HG3 PRO 16 HG3 PRO 16 -1.484 -6.147 7.858 96 HD2 PRO 16 HD2 PRO 16 -0.224 -3.693 6.695 97 HD3 PRO 16 HD3 PRO 16 0.193 -4.575 8.178 98 H THR 17 H THR 17 1.262 -7.400 3.442 99 HA THR 17 HA THR 17 1.476 -4.943 1.952 100 HB THR 17 HB THR 17 2.889 -6.446 0.410 101 HG1 THR 17 HG1 THR 17 2.995 -8.077 2.729 102 HG21 THR 17 HG21 THR 17 3.732 -5.947 3.275 103 HG22 THR 17 HG22 THR 17 3.853 -4.796 1.950 104 HG23 THR 17 HG23 THR 17 4.831 -6.265 1.933 105 H VAL 18 H VAL 18 -0.385 -7.832 1.886 106 HA VAL 18 HA VAL 18 -1.257 -7.360 -0.836 107 HB VAL 18 HB VAL 18 -2.192 -9.439 1.180 108 HG11 VAL 18 HG11 VAL 18 -3.322 -10.515 -0.736 109 HG12 VAL 18 HG12 VAL 18 -2.870 -9.148 -1.754 110 HG13 VAL 18 HG13 VAL 18 -3.977 -8.911 -0.405 111 HG21 VAL 18 HG21 VAL 18 -0.957 -11.028 -0.215 112 HG22 VAL 18 HG22 VAL 18 0.111 -9.763 0.399 113 HG23 VAL 18 HG23 VAL 18 -0.449 -9.711 -1.269 114 H CYS 19 H CYS 19 -2.820 -6.058 -1.327 115 HA CYS 19 HA CYS 19 -4.363 -4.779 0.733 116 HB2 CYS 19 HB2 CYS 19 -4.359 -4.376 -2.264 117 HB3 CYS 19 HB3 CYS 19 -5.072 -3.306 -1.061 118 H ALA 20 H ALA 20 -6.707 -4.502 0.417 119 HA ALA 20 HA ALA 20 -8.108 -6.907 0.188 120 HB1 ALA 20 HB1 ALA 20 -8.943 -4.985 1.455 121 HB2 ALA 20 HB2 ALA 20 -10.121 -5.486 0.240 122 HB3 ALA 20 HB3 ALA 20 -9.114 -4.067 -0.042 123 H SER 21 H SER 21 -9.266 -7.815 -1.491 124 HA SER 21 HA SER 21 -8.418 -7.485 -4.096 125 HB2 SER 21 HB2 SER 21 -11.113 -8.517 -3.183 126 HB3 SER 21 HB3 SER 21 -10.266 -8.933 -4.672 127 HG SER 21 HG SER 21 -8.571 -9.761 -3.343 128 H GLY 22 H GLY 22 -8.773 -5.913 -5.524 129 HA2 GLY 22 HA2 GLY 22 -10.325 -4.517 -6.736 130 HA3 GLY 22 HA3 GLY 22 -11.173 -4.243 -5.217 131 H THR 23 H THR 23 -8.210 -4.140 -4.119 132 HA THR 23 HA THR 23 -7.705 -1.422 -5.053 133 HB THR 23 HB THR 23 -6.811 -0.851 -2.808 134 HG1 THR 23 HG1 THR 23 -7.427 -3.558 -2.292 135 HG21 THR 23 HG21 THR 23 -9.600 -1.989 -2.687 136 HG22 THR 23 HG22 THR 23 -9.152 -0.375 -3.241 137 HG23 THR 23 HG23 THR 23 -8.914 -0.824 -1.553 138 H THR 24 H THR 24 -5.550 -0.948 -5.477 139 HA THR 24 HA THR 24 -3.900 -3.369 -5.587 140 HB THR 24 HB THR 24 -2.806 -2.237 -7.589 141 HG1 THR 24 HG1 THR 24 -4.836 -0.392 -6.999 142 HG21 THR 24 HG21 THR 24 -5.722 -2.995 -7.794 143 HG22 THR 24 HG22 THR 24 -4.370 -4.123 -7.777 144 HG23 THR 24 HG23 THR 24 -4.561 -2.997 -9.122 145 H CYS 25 H CYS 25 -1.881 -3.323 -4.782 146 HA CYS 25 HA CYS 25 -1.067 -1.048 -3.253 147 HB2 CYS 25 HB2 CYS 25 -0.509 -3.339 -2.512 148 HB3 CYS 25 HB3 CYS 25 0.439 -3.586 -3.971 149 H GLN 26 H GLN 26 -0.654 0.688 -4.463 150 HA GLN 26 HA GLN 26 1.031 0.389 -6.827 151 HB2 GLN 26 HB2 GLN 26 -0.778 2.650 -5.973 152 HB3 GLN 26 HB3 GLN 26 0.228 2.660 -7.414 153 HG2 GLN 26 HG2 GLN 26 -1.008 0.753 -8.295 154 HG3 GLN 26 HG3 GLN 26 -2.005 0.727 -6.845 155 HE21 GLN 26 HE21 GLN 26 -3.841 1.030 -8.024 156 HE22 GLN 26 HE22 GLN 26 -4.278 2.548 -8.717 157 H VAL 27 H VAL 27 2.826 1.598 -7.081 158 HA VAL 27 HA VAL 27 4.062 2.497 -4.645 159 HB VAL 27 HB VAL 27 5.138 2.267 -7.478 160 HG11 VAL 27 HG11 VAL 27 6.358 3.955 -6.208 161 HG12 VAL 27 HG12 VAL 27 7.355 2.535 -6.507 162 HG13 VAL 27 HG13 VAL 27 6.640 2.791 -4.915 163 HG21 VAL 27 HG21 VAL 27 5.547 0.496 -5.075 164 HG22 VAL 27 HG22 VAL 27 6.340 0.306 -6.640 165 HG23 VAL 27 HG23 VAL 27 4.590 0.117 -6.505 166 H LEU 28 H LEU 28 3.621 4.543 -4.093 167 HA LEU 28 HA LEU 28 3.088 6.560 -6.120 168 HB2 LEU 28 HB2 LEU 28 3.013 6.679 -3.117 169 HB3 LEU 28 HB3 LEU 28 2.786 8.085 -4.125 170 HG LEU 28 HG LEU 28 0.862 6.718 -5.193 171 HD11 LEU 28 HD11 LEU 28 -0.240 5.161 -3.728 172 HD12 LEU 28 HD12 LEU 28 1.095 5.288 -2.581 173 HD13 LEU 28 HD13 LEU 28 1.371 4.593 -4.181 174 HD21 LEU 28 HD21 LEU 28 0.658 7.828 -2.411 175 HD22 LEU 28 HD22 LEU 28 -0.691 7.560 -3.533 176 HD23 LEU 28 HD23 LEU 28 0.589 8.718 -3.935 177 H ASN 29 H ASN 29 5.408 5.807 -3.630 178 HA ASN 29 HA ASN 29 7.502 7.398 -4.931 179 HB2 ASN 29 HB2 ASN 29 6.847 7.422 -1.930 180 HB3 ASN 29 HB3 ASN 29 8.367 7.961 -2.588 181 HD21 ASN 29 HD21 ASN 29 5.322 8.774 -4.093 182 HD22 ASN 29 HD22 ASN 29 5.308 10.425 -3.618 183 HA PRO 30 HA PRO 30 9.727 3.564 -4.079 184 HB2 PRO 30 HB2 PRO 30 11.739 4.983 -2.397 185 HB3 PRO 30 HB3 PRO 30 11.995 3.949 -3.806 186 HG2 PRO 30 HG2 PRO 30 12.273 6.583 -4.011 187 HG3 PRO 30 HG3 PRO 30 11.506 5.660 -5.313 188 HD2 PRO 30 HD2 PRO 30 10.265 7.365 -3.201 189 HD3 PRO 30 HD3 PRO 30 9.825 7.215 -4.913 190 H TYR 31 H TYR 31 9.218 5.697 -1.360 191 HA TYR 31 HA TYR 31 9.200 3.409 0.489 192 HB2 TYR 31 HB2 TYR 31 9.083 6.372 1.069 193 HB3 TYR 31 HB3 TYR 31 9.231 5.094 2.265 194 HD1 TYR 31 HD1 TYR 31 10.960 6.893 -0.440 195 HD2 TYR 31 HD2 TYR 31 11.365 4.070 2.706 196 HE1 TYR 31 HE1 TYR 31 13.396 7.040 -0.630 197 HE2 TYR 31 HE2 TYR 31 13.809 4.213 2.521 198 HH TYR 31 HH TYR 31 15.482 4.838 0.875 199 H TYR 32 H TYR 32 7.162 5.731 -1.068 200 HA TYR 32 HA TYR 32 4.930 5.158 0.714 201 HB2 TYR 32 HB2 TYR 32 5.478 7.534 -0.159 202 HB3 TYR 32 HB3 TYR 32 4.904 6.952 -1.705 203 HD1 TYR 32 HD1 TYR 32 2.817 5.294 0.462 204 HD2 TYR 32 HD2 TYR 32 3.623 9.237 -0.907 205 HE1 TYR 32 HE1 TYR 32 0.548 5.969 1.087 206 HE2 TYR 32 HE2 TYR 32 1.351 9.925 -0.270 207 HH TYR 32 HH TYR 32 -0.875 8.848 0.105 208 H SER 33 H SER 33 3.832 3.351 0.220 209 HA SER 33 HA SER 33 2.973 3.040 -2.534 210 HB2 SER 33 HB2 SER 33 3.847 0.663 -0.835 211 HB3 SER 33 HB3 SER 33 3.416 0.706 -2.556 212 HG SER 33 HG SER 33 5.317 2.343 -2.523 213 H GLN 34 H GLN 34 0.819 2.623 -2.594 214 HA GLN 34 HA GLN 34 -0.496 2.116 -0.029 215 HB2 GLN 34 HB2 GLN 34 -0.340 4.496 -0.152 216 HB3 GLN 34 HB3 GLN 34 -0.944 4.537 -1.786 217 HG2 GLN 34 HG2 GLN 34 -3.122 3.765 -0.976 218 HG3 GLN 34 HG3 GLN 34 -2.487 3.748 0.668 219 HE21 GLN 34 HE21 GLN 34 -2.113 5.699 1.710 220 HE22 GLN 34 HE22 GLN 34 -2.729 7.186 1.093 221 H CYS 35 H CYS 35 -2.523 1.187 -0.161 222 HA CYS 35 HA CYS 35 -3.121 -0.212 -2.561 223 HB2 CYS 35 HB2 CYS 35 -4.832 0.054 -0.085 224 HB3 CYS 35 HB3 CYS 35 -4.908 -1.173 -1.327 225 H LEU 36 H LEU 36 -3.908 0.892 -4.158 226 HA LEU 36 HA LEU 36 -6.091 2.763 -3.688 227 HB2 LEU 36 HB2 LEU 36 -4.062 2.677 -5.928 228 HB3 LEU 36 HB3 LEU 36 -5.441 3.754 -5.878 229 HG LEU 36 HG LEU 36 -3.137 3.779 -3.928 230 HD11 LEU 36 HD11 LEU 36 -2.507 4.586 -6.140 231 HD12 LEU 36 HD12 LEU 36 -2.575 5.909 -4.975 232 HD13 LEU 36 HD13 LEU 36 -3.883 5.688 -6.134 233 HD21 LEU 36 HD21 LEU 36 -5.211 4.471 -2.861 234 HD22 LEU 36 HD22 LEU 36 -5.543 5.585 -4.184 235 HD23 LEU 36 HD23 LEU 36 -4.163 5.864 -3.123 236 H1 MAN 101 H1 MAN 101 9.321 -5.139 10.100 237 H2 MAN 101 H2 MAN 101 8.091 -3.243 11.317 238 H3 MAN 101 H3 MAN 101 8.848 -1.380 9.942 239 H4 MAN 101 H4 MAN 101 11.601 -1.976 11.161 240 H5 MAN 101 H5 MAN 101 10.583 -2.243 8.294 241 H61 MAN 101 H61 MAN 101 13.279 -2.814 9.576 242 H62 MAN 101 H62 MAN 101 12.938 -1.592 8.331 243 HO2 MAN 101 HO2 MAN 101 9.740 -2.934 12.836 244 HO3 MAN 101 HO3 MAN 101 9.479 -0.051 11.738 245 HO4 MAN 101 HO4 MAN 101 11.170 0.240 10.749 246 HO6 MAN 101 HO6 MAN 101 11.972 -3.896 7.426 Start of MODEL 4 1 H1 THR 1 H1 THR 1 -6.776 -7.760 5.017 2 H2 THR 1 H2 THR 1 -5.302 -7.814 5.828 3 H3 THR 1 H3 THR 1 -5.724 -9.071 4.765 4 HA THR 1 HA THR 1 -4.187 -7.628 3.696 5 HB THR 1 HB THR 1 -5.776 -6.727 1.893 6 HG1 THR 1 HG1 THR 1 -7.936 -7.850 2.267 7 HG21 THR 1 HG21 THR 1 -6.010 -9.642 2.686 8 HG22 THR 1 HG22 THR 1 -4.694 -8.941 1.744 9 HG23 THR 1 HG23 THR 1 -6.326 -8.979 1.080 10 H GLN 2 H GLN 2 -3.862 -5.385 2.821 11 HA GLN 2 HA GLN 2 -4.415 -3.545 4.979 12 HB2 GLN 2 HB2 GLN 2 -2.153 -4.046 3.755 13 HB3 GLN 2 HB3 GLN 2 -2.725 -2.911 2.561 14 HG2 GLN 2 HG2 GLN 2 -2.479 -2.262 5.499 15 HG3 GLN 2 HG3 GLN 2 -1.175 -1.996 4.352 16 HE21 GLN 2 HE21 GLN 2 -2.878 -1.120 2.218 17 HE22 GLN 2 HE22 GLN 2 -3.504 0.402 2.675 18 H SER 3 H SER 3 -5.365 -1.492 4.712 19 HA SER 3 HA SER 3 -7.775 -1.559 3.245 20 HB2 SER 3 HB2 SER 3 -6.584 0.681 4.838 21 HB3 SER 3 HB3 SER 3 -8.295 0.351 4.533 22 HG SER 3 HG SER 3 -8.272 -0.878 6.182 23 H HIS 4 H HIS 4 -8.632 0.197 1.972 24 HA HIS 4 HA HIS 4 -7.033 1.028 -0.237 25 HB2 HIS 4 HB2 HIS 4 -9.501 0.520 -0.301 26 HB3 HIS 4 HB3 HIS 4 -9.779 1.950 0.663 27 HD1 HIS 4 HD1 HIS 4 -11.273 2.972 -1.091 28 HD2 HIS 4 HD2 HIS 4 -7.465 2.175 -2.521 29 HE1 HIS 4 HE1 HIS 4 -11.169 4.061 -3.347 30 HE2 HIS 4 HE2 HIS 4 -9.006 3.259 -4.312 31 H TYR 5 H TYR 5 -5.936 2.910 -0.529 32 HA TYR 5 HA TYR 5 -4.960 4.845 -0.185 33 HB2 TYR 5 HB2 TYR 5 -7.434 5.503 1.421 34 HB3 TYR 5 HB3 TYR 5 -6.095 6.636 1.276 35 HD1 TYR 5 HD1 TYR 5 -5.357 7.270 -1.090 36 HD2 TYR 5 HD2 TYR 5 -9.099 5.452 -0.234 37 HE1 TYR 5 HE1 TYR 5 -6.219 8.058 -3.246 38 HE2 TYR 5 HE2 TYR 5 -9.970 6.238 -2.399 39 HH TYR 5 HH TYR 5 -9.494 7.994 -4.077 40 H GLY 6 H GLY 6 -4.712 2.532 1.689 41 HA2 GLY 6 HA2 GLY 6 -3.204 3.980 3.747 42 HA3 GLY 6 HA3 GLY 6 -3.760 2.310 3.891 43 H GLN 7 H GLN 7 -1.139 2.897 4.317 44 HA GLN 7 HA GLN 7 0.387 2.451 1.907 45 HB2 GLN 7 HB2 GLN 7 1.275 3.930 3.647 46 HB3 GLN 7 HB3 GLN 7 1.249 2.614 4.805 47 HG2 GLN 7 HG2 GLN 7 2.962 1.435 3.518 48 HG3 GLN 7 HG3 GLN 7 2.971 2.736 2.326 49 HE21 GLN 7 HE21 GLN 7 5.224 3.191 2.731 50 HE22 GLN 7 HE22 GLN 7 5.697 3.948 4.184 51 H CYS 8 H CYS 8 0.410 0.517 1.068 52 HA CYS 8 HA CYS 8 -0.154 -1.873 2.532 53 HB2 CYS 8 HB2 CYS 8 0.502 -2.925 0.269 54 HB3 CYS 8 HB3 CYS 8 -0.933 -1.902 0.342 55 H GLY 9 H GLY 9 2.790 -0.513 1.120 56 HA2 GLY 9 HA2 GLY 9 4.514 -1.216 3.023 57 HA3 GLY 9 HA3 GLY 9 4.297 -2.745 2.193 58 H GLY 10 H GLY 10 5.690 0.326 2.193 59 HA2 GLY 10 HA2 GLY 10 7.129 -0.311 -0.287 60 HA3 GLY 10 HA3 GLY 10 6.924 1.322 0.358 61 H ILE 11 H ILE 11 9.231 1.557 0.444 62 HA ILE 11 HA ILE 11 10.735 -0.136 2.169 63 HB ILE 11 HB ILE 11 11.366 2.743 1.385 64 HG12 ILE 11 HG12 ILE 11 12.259 0.173 0.037 65 HG13 ILE 11 HG13 ILE 11 11.032 1.264 -0.595 66 HG21 ILE 11 HG21 ILE 11 13.692 2.103 1.860 67 HG22 ILE 11 HG22 ILE 11 13.147 0.503 2.365 68 HG23 ILE 11 HG23 ILE 11 12.669 1.930 3.288 69 HD11 ILE 11 HD11 ILE 11 12.721 3.032 -0.782 70 HD12 ILE 11 HD12 ILE 11 13.133 1.598 -1.717 71 HD13 ILE 11 HD13 ILE 11 13.943 1.907 -0.180 72 H GLY 12 H GLY 12 10.763 -0.123 4.337 73 HA2 GLY 12 HA2 GLY 12 10.828 1.026 6.437 74 HA3 GLY 12 HA3 GLY 12 9.802 2.271 5.745 75 H TYR 13 H TYR 13 8.167 -0.039 4.525 76 HA TYR 13 HA TYR 13 6.738 -0.730 6.995 77 HB2 TYR 13 HB2 TYR 13 5.580 1.146 5.835 78 HB3 TYR 13 HB3 TYR 13 5.450 0.156 4.392 79 HD1 TYR 13 HD1 TYR 13 3.756 1.228 7.303 80 HD2 TYR 13 HD2 TYR 13 4.160 -2.170 4.771 81 HE1 TYR 13 HE1 TYR 13 1.585 0.369 8.088 82 HE2 TYR 13 HE2 TYR 13 2.027 -3.025 5.519 83 HH TYR 13 HH TYR 13 -0.207 -1.176 7.151 84 H SER 14 H SER 14 6.649 -2.833 7.177 85 HA SER 14 HA SER 14 5.967 -4.425 4.858 86 HB2 SER 14 HB2 SER 14 8.250 -4.986 6.754 87 HB3 SER 14 HB3 SER 14 7.611 -6.156 5.594 88 H GLY 15 H GLY 15 4.105 -5.277 5.377 89 HA2 GLY 15 HA2 GLY 15 3.742 -6.826 7.742 90 HA3 GLY 15 HA3 GLY 15 2.811 -5.322 7.743 91 HA PRO 16 HA PRO 16 0.105 -7.777 5.141 92 HB2 PRO 16 HB2 PRO 16 -1.846 -5.665 5.206 93 HB3 PRO 16 HB3 PRO 16 -1.916 -7.211 6.049 94 HG2 PRO 16 HG2 PRO 16 -1.619 -4.729 7.267 95 HG3 PRO 16 HG3 PRO 16 -1.253 -6.289 8.014 96 HD2 PRO 16 HD2 PRO 16 0.592 -4.268 6.845 97 HD3 PRO 16 HD3 PRO 16 0.850 -5.416 8.176 98 H THR 17 H THR 17 1.450 -7.456 3.351 99 HA THR 17 HA THR 17 1.515 -4.902 2.100 100 HB THR 17 HB THR 17 3.050 -6.217 0.482 101 HG1 THR 17 HG1 THR 17 3.101 -8.283 0.888 102 HG21 THR 17 HG21 THR 17 3.830 -4.650 2.183 103 HG22 THR 17 HG22 THR 17 4.910 -6.049 2.130 104 HG23 THR 17 HG23 THR 17 3.707 -5.888 3.416 105 H VAL 18 H VAL 18 -0.256 -7.771 1.758 106 HA VAL 18 HA VAL 18 -1.134 -7.114 -0.920 107 HB VAL 18 HB VAL 18 -2.218 -9.210 1.004 108 HG11 VAL 18 HG11 VAL 18 -2.728 -8.841 -1.952 109 HG12 VAL 18 HG12 VAL 18 -3.884 -8.518 -0.666 110 HG13 VAL 18 HG13 VAL 18 -3.335 -10.168 -0.959 111 HG21 VAL 18 HG21 VAL 18 0.100 -9.638 0.322 112 HG22 VAL 18 HG22 VAL 18 -0.383 -9.525 -1.374 113 HG23 VAL 18 HG23 VAL 18 -1.011 -10.824 -0.360 114 H CYS 19 H CYS 19 -2.798 -5.873 -1.369 115 HA CYS 19 HA CYS 19 -4.156 -4.498 0.743 116 HB2 CYS 19 HB2 CYS 19 -4.413 -4.253 -2.254 117 HB3 CYS 19 HB3 CYS 19 -5.076 -3.151 -1.052 118 H ALA 20 H ALA 20 -6.497 -4.227 0.654 119 HA ALA 20 HA ALA 20 -7.833 -6.699 0.632 120 HB1 ALA 20 HB1 ALA 20 -8.543 -4.892 2.084 121 HB2 ALA 20 HB2 ALA 20 -9.876 -5.351 1.020 122 HB3 ALA 20 HB3 ALA 20 -8.932 -3.899 0.689 123 H SER 21 H SER 21 -9.589 -7.364 -0.670 124 HA SER 21 HA SER 21 -8.991 -7.546 -3.325 125 HB2 SER 21 HB2 SER 21 -11.665 -7.903 -1.988 126 HB3 SER 21 HB3 SER 21 -11.112 -8.685 -3.473 127 HG SER 21 HG SER 21 -9.261 -9.332 -1.962 128 H GLY 22 H GLY 22 -9.233 -6.226 -4.971 129 HA2 GLY 22 HA2 GLY 22 -10.659 -4.847 -6.306 130 HA3 GLY 22 HA3 GLY 22 -11.281 -4.138 -4.821 131 H THR 23 H THR 23 -8.363 -4.216 -3.838 132 HA THR 23 HA THR 23 -7.574 -1.815 -5.302 133 HB THR 23 HB THR 23 -6.564 -0.963 -3.132 134 HG1 THR 23 HG1 THR 23 -7.531 -3.391 -2.249 135 HG21 THR 23 HG21 THR 23 -8.719 -0.196 -2.254 136 HG22 THR 23 HG22 THR 23 -9.542 -1.425 -3.225 137 HG23 THR 23 HG23 THR 23 -8.666 -0.118 -4.012 138 H THR 24 H THR 24 -5.372 -1.380 -5.559 139 HA THR 24 HA THR 24 -3.703 -3.779 -5.360 140 HB THR 24 HB THR 24 -2.486 -2.773 -7.358 141 HG1 THR 24 HG1 THR 24 -4.567 -0.925 -7.089 142 HG21 THR 24 HG21 THR 24 -4.091 -3.681 -8.978 143 HG22 THR 24 HG22 THR 24 -5.345 -3.647 -7.736 144 HG23 THR 24 HG23 THR 24 -3.958 -4.719 -7.556 145 H CYS 25 H CYS 25 -1.564 -3.500 -4.790 146 HA CYS 25 HA CYS 25 -1.010 -1.157 -3.215 147 HB2 CYS 25 HB2 CYS 25 -0.357 -3.397 -2.394 148 HB3 CYS 25 HB3 CYS 25 0.670 -3.616 -3.804 149 H GLN 26 H GLN 26 -0.623 0.577 -4.467 150 HA GLN 26 HA GLN 26 1.191 0.232 -6.729 151 HB2 GLN 26 HB2 GLN 26 -0.732 2.478 -6.106 152 HB3 GLN 26 HB3 GLN 26 0.335 2.420 -7.503 153 HG2 GLN 26 HG2 GLN 26 -0.797 0.374 -8.260 154 HG3 GLN 26 HG3 GLN 26 -1.878 0.479 -6.879 155 HE21 GLN 26 HE21 GLN 26 -3.664 0.631 -8.145 156 HE22 GLN 26 HE22 GLN 26 -4.083 2.036 -9.056 157 H VAL 27 H VAL 27 3.130 1.019 -6.670 158 HA VAL 27 HA VAL 27 4.055 2.350 -4.300 159 HB VAL 27 HB VAL 27 5.567 1.677 -6.847 160 HG11 VAL 27 HG11 VAL 27 6.675 3.405 -5.531 161 HG12 VAL 27 HG12 VAL 27 7.585 1.897 -5.465 162 HG13 VAL 27 HG13 VAL 27 6.588 2.386 -4.098 163 HG21 VAL 27 HG21 VAL 27 5.383 0.130 -4.261 164 HG22 VAL 27 HG22 VAL 27 6.416 -0.280 -5.629 165 HG23 VAL 27 HG23 VAL 27 4.662 -0.337 -5.798 166 H LEU 28 H LEU 28 3.581 4.404 -4.123 167 HA LEU 28 HA LEU 28 3.294 6.111 -6.464 168 HB2 LEU 28 HB2 LEU 28 3.016 6.825 -3.541 169 HB3 LEU 28 HB3 LEU 28 2.472 7.768 -4.909 170 HG LEU 28 HG LEU 28 1.326 5.152 -3.944 171 HD11 LEU 28 HD11 LEU 28 0.221 7.944 -3.978 172 HD12 LEU 28 HD12 LEU 28 0.692 7.010 -2.557 173 HD13 LEU 28 HD13 LEU 28 -0.685 6.502 -3.533 174 HD21 LEU 28 HD21 LEU 28 0.538 6.838 -6.315 175 HD22 LEU 28 HD22 LEU 28 -0.381 5.472 -5.681 176 HD23 LEU 28 HD23 LEU 28 1.226 5.211 -6.359 177 H ASN 29 H ASN 29 5.092 5.979 -3.457 178 HA ASN 29 HA ASN 29 7.183 7.658 -4.641 179 HB2 ASN 29 HB2 ASN 29 6.265 7.569 -1.737 180 HB3 ASN 29 HB3 ASN 29 7.608 8.508 -2.364 181 HD21 ASN 29 HD21 ASN 29 5.160 9.343 -0.954 182 HD22 ASN 29 HD22 ASN 29 4.399 10.487 -1.987 183 HA PRO 30 HA PRO 30 10.004 4.360 -3.839 184 HB2 PRO 30 HB2 PRO 30 11.449 6.101 -1.879 185 HB3 PRO 30 HB3 PRO 30 12.101 5.144 -3.220 186 HG2 PRO 30 HG2 PRO 30 11.846 7.741 -3.545 187 HG3 PRO 30 HG3 PRO 30 11.312 6.649 -4.836 188 HD2 PRO 30 HD2 PRO 30 9.677 8.099 -2.796 189 HD3 PRO 30 HD3 PRO 30 9.359 7.893 -4.529 190 H TYR 31 H TYR 31 9.144 6.033 -0.773 191 HA TYR 31 HA TYR 31 9.327 3.440 0.585 192 HB2 TYR 31 HB2 TYR 31 8.816 6.192 1.769 193 HB3 TYR 31 HB3 TYR 31 9.098 4.712 2.651 194 HD1 TYR 31 HD1 TYR 31 10.736 7.102 0.322 195 HD2 TYR 31 HD2 TYR 31 11.275 4.101 3.278 196 HE1 TYR 31 HE1 TYR 31 13.116 7.641 0.422 197 HE2 TYR 31 HE2 TYR 31 13.675 4.633 3.378 198 HH TYR 31 HH TYR 31 15.380 5.646 1.888 199 H TYR 32 H TYR 32 7.052 5.803 -0.571 200 HA TYR 32 HA TYR 32 4.962 4.580 1.021 201 HB2 TYR 32 HB2 TYR 32 5.177 7.083 0.858 202 HB3 TYR 32 HB3 TYR 32 4.564 6.934 -0.790 203 HD1 TYR 32 HD1 TYR 32 2.223 6.853 -1.164 204 HD2 TYR 32 HD2 TYR 32 3.775 6.096 2.720 205 HE1 TYR 32 HE1 TYR 32 -0.056 6.796 -0.254 206 HE2 TYR 32 HE2 TYR 32 1.508 6.031 3.629 207 HH TYR 32 HH TYR 32 -0.721 6.838 3.098 208 H SER 33 H SER 33 3.955 2.907 0.281 209 HA SER 33 HA SER 33 3.089 2.908 -2.512 210 HB2 SER 33 HB2 SER 33 3.586 0.512 -0.707 211 HB3 SER 33 HB3 SER 33 3.164 0.471 -2.423 212 HG SER 33 HG SER 33 5.285 1.962 -2.315 213 H GLN 34 H GLN 34 0.865 2.691 -2.746 214 HA GLN 34 HA GLN 34 -0.657 2.516 -0.239 215 HB2 GLN 34 HB2 GLN 34 -0.331 4.857 -0.848 216 HB3 GLN 34 HB3 GLN 34 -0.999 4.548 -2.442 217 HG2 GLN 34 HG2 GLN 34 -3.153 4.076 -1.486 218 HG3 GLN 34 HG3 GLN 34 -2.506 4.251 0.143 219 HE21 GLN 34 HE21 GLN 34 -2.017 6.326 0.913 220 HE22 GLN 34 HE22 GLN 34 -2.621 7.728 0.137 221 H CYS 35 H CYS 35 -2.644 1.519 -0.399 222 HA CYS 35 HA CYS 35 -3.089 -0.067 -2.723 223 HB2 CYS 35 HB2 CYS 35 -4.866 0.266 -0.314 224 HB3 CYS 35 HB3 CYS 35 -4.921 -0.987 -1.524 225 H LEU 36 H LEU 36 -3.902 0.765 -4.418 226 HA LEU 36 HA LEU 36 -6.173 2.590 -4.247 227 HB2 LEU 36 HB2 LEU 36 -4.039 2.387 -6.380 228 HB3 LEU 36 HB3 LEU 36 -5.445 3.428 -6.453 229 HG LEU 36 HG LEU 36 -3.211 3.670 -4.436 230 HD11 LEU 36 HD11 LEU 36 -2.476 4.270 -6.672 231 HD12 LEU 36 HD12 LEU 36 -2.637 5.712 -5.665 232 HD13 LEU 36 HD13 LEU 36 -3.874 5.326 -6.859 233 HD21 LEU 36 HD21 LEU 36 -5.343 4.439 -3.544 234 HD22 LEU 36 HD22 LEU 36 -5.607 5.421 -4.981 235 HD23 LEU 36 HD23 LEU 36 -4.286 5.809 -3.877 236 H1 MAN 101 H1 MAN 101 9.836 -6.167 4.762 237 H2 MAN 101 H2 MAN 101 10.250 -4.629 6.806 238 H3 MAN 101 H3 MAN 101 10.015 -2.467 5.615 239 H4 MAN 101 H4 MAN 101 12.555 -3.397 4.291 240 H5 MAN 101 H5 MAN 101 9.761 -2.847 3.142 241 H61 MAN 101 H61 MAN 101 11.637 -2.318 1.579 242 H62 MAN 101 H62 MAN 101 10.637 -3.677 1.021 243 HO2 MAN 101 HO2 MAN 101 12.514 -4.718 6.547 244 HO3 MAN 101 HO3 MAN 101 12.049 -1.571 6.328 245 HO4 MAN 101 HO4 MAN 101 12.480 -1.442 3.251 246 HO6 MAN 101 HO6 MAN 101 12.245 -4.996 2.278 Start of MODEL 5 1 H1 THR 1 H1 THR 1 -5.207 -8.832 5.814 2 H2 THR 1 H2 THR 1 -5.992 -7.467 6.455 3 H3 THR 1 H3 THR 1 -4.309 -7.516 6.389 4 HA THR 1 HA THR 1 -4.409 -7.551 3.999 5 HB THR 1 HB THR 1 -7.404 -7.369 4.389 6 HG1 THR 1 HG1 THR 1 -6.970 -9.697 3.448 7 HG21 THR 1 HG21 THR 1 -6.502 -6.527 2.239 8 HG22 THR 1 HG22 THR 1 -7.449 -8.000 2.013 9 HG23 THR 1 HG23 THR 1 -5.687 -8.070 1.991 10 H GLN 2 H GLN 2 -4.165 -5.488 3.041 11 HA GLN 2 HA GLN 2 -4.754 -3.288 4.850 12 HB2 GLN 2 HB2 GLN 2 -2.484 -3.994 3.486 13 HB3 GLN 2 HB3 GLN 2 -3.152 -2.771 2.420 14 HG2 GLN 2 HG2 GLN 2 -2.620 -2.361 5.373 15 HG3 GLN 2 HG3 GLN 2 -1.505 -1.916 4.089 16 HE21 GLN 2 HE21 GLN 2 -3.439 -0.952 2.292 17 HE22 GLN 2 HE22 GLN 2 -4.107 0.490 2.937 18 H SER 3 H SER 3 -6.012 -1.547 4.268 19 HA SER 3 HA SER 3 -7.873 -2.122 2.128 20 HB2 SER 3 HB2 SER 3 -9.203 -0.321 3.389 21 HB3 SER 3 HB3 SER 3 -8.964 -1.887 4.170 22 HG SER 3 HG SER 3 -8.180 0.554 4.956 23 H HIS 4 H HIS 4 -8.955 0.001 1.290 24 HA HIS 4 HA HIS 4 -7.191 1.238 -0.501 25 HB2 HIS 4 HB2 HIS 4 -9.657 0.922 -0.817 26 HB3 HIS 4 HB3 HIS 4 -9.933 2.135 0.410 27 HD1 HIS 4 HD1 HIS 4 -10.876 4.067 -0.769 28 HD2 HIS 4 HD2 HIS 4 -7.726 2.386 -2.887 29 HE1 HIS 4 HE1 HIS 4 -10.596 5.506 -2.770 30 HE2 HIS 4 HE2 HIS 4 -8.878 4.314 -4.173 31 H TYR 5 H TYR 5 -5.904 2.979 -0.317 32 HA TYR 5 HA TYR 5 -4.867 4.767 0.434 33 HB2 TYR 5 HB2 TYR 5 -7.574 5.405 1.443 34 HB3 TYR 5 HB3 TYR 5 -6.238 6.327 2.126 35 HD1 TYR 5 HD1 TYR 5 -5.443 8.164 1.020 36 HD2 TYR 5 HD2 TYR 5 -7.667 5.287 -1.162 37 HE1 TYR 5 HE1 TYR 5 -5.352 9.614 -0.959 38 HE2 TYR 5 HE2 TYR 5 -7.585 6.725 -3.152 39 HH TYR 5 HH TYR 5 -5.445 9.256 -3.377 40 H GLY 6 H GLY 6 -3.726 2.920 1.427 41 HA2 GLY 6 HA2 GLY 6 -2.837 3.881 3.979 42 HA3 GLY 6 HA3 GLY 6 -3.487 2.236 3.984 43 H GLN 7 H GLN 7 -0.719 2.979 4.451 44 HA GLN 7 HA GLN 7 0.727 2.404 2.065 45 HB2 GLN 7 HB2 GLN 7 1.711 3.741 3.927 46 HB3 GLN 7 HB3 GLN 7 1.705 2.306 4.937 47 HG2 GLN 7 HG2 GLN 7 3.286 1.222 3.424 48 HG3 GLN 7 HG3 GLN 7 3.285 2.636 2.377 49 HE21 GLN 7 HE21 GLN 7 5.582 2.994 2.672 50 HE22 GLN 7 HE22 GLN 7 6.192 3.504 4.182 51 H CYS 8 H CYS 8 0.805 0.553 1.157 52 HA CYS 8 HA CYS 8 0.112 -1.891 2.586 53 HB2 CYS 8 HB2 CYS 8 0.207 -2.856 0.262 54 HB3 CYS 8 HB3 CYS 8 -1.016 -1.624 0.540 55 H GLY 9 H GLY 9 2.907 -0.541 0.935 56 HA2 GLY 9 HA2 GLY 9 4.723 -2.115 2.340 57 HA3 GLY 9 HA3 GLY 9 4.320 -2.985 0.866 58 H GLY 10 H GLY 10 5.759 -0.177 2.211 59 HA2 GLY 10 HA2 GLY 10 7.066 0.318 -0.367 60 HA3 GLY 10 HA3 GLY 10 6.842 1.543 0.889 61 H ILE 11 H ILE 11 9.338 1.393 0.212 62 HA ILE 11 HA ILE 11 10.853 -0.664 1.410 63 HB ILE 11 HB ILE 11 11.734 2.204 0.923 64 HG12 ILE 11 HG12 ILE 11 12.007 -0.183 -0.925 65 HG13 ILE 11 HG13 ILE 11 10.843 1.123 -1.138 66 HG21 ILE 11 HG21 ILE 11 14.003 1.236 0.821 67 HG22 ILE 11 HG22 ILE 11 13.334 -0.340 1.242 68 HG23 ILE 11 HG23 ILE 11 13.238 0.989 2.392 69 HD11 ILE 11 HD11 ILE 11 12.711 2.713 -1.373 70 HD12 ILE 11 HD12 ILE 11 12.742 1.450 -2.597 71 HD13 ILE 11 HD13 ILE 11 13.847 1.372 -1.223 72 H GLY 12 H GLY 12 10.910 -1.092 3.498 73 HA2 GLY 12 HA2 GLY 12 11.724 -0.478 5.663 74 HA3 GLY 12 HA3 GLY 12 11.144 1.156 5.373 75 H TYR 13 H TYR 13 8.694 -0.507 4.201 76 HA TYR 13 HA TYR 13 7.219 -0.287 6.688 77 HB2 TYR 13 HB2 TYR 13 6.204 0.598 4.622 78 HB3 TYR 13 HB3 TYR 13 6.256 -1.001 3.900 79 HD1 TYR 13 HD1 TYR 13 4.705 1.026 6.577 80 HD2 TYR 13 HD2 TYR 13 4.510 -2.594 4.357 81 HE1 TYR 13 HE1 TYR 13 2.470 0.591 7.490 82 HE2 TYR 13 HE2 TYR 13 2.273 -3.033 5.258 83 HH TYR 13 HH TYR 13 0.430 -0.732 6.660 84 H SER 14 H SER 14 6.182 -1.970 7.709 85 HA SER 14 HA SER 14 6.831 -4.667 6.820 86 HB2 SER 14 HB2 SER 14 7.245 -3.657 9.641 87 HB3 SER 14 HB3 SER 14 7.786 -5.199 8.952 88 H GLY 15 H GLY 15 4.677 -5.210 6.399 89 HA2 GLY 15 HA2 GLY 15 2.977 -5.747 8.579 90 HA3 GLY 15 HA3 GLY 15 2.493 -4.240 7.814 91 HA PRO 16 HA PRO 16 0.311 -7.405 5.405 92 HB2 PRO 16 HB2 PRO 16 -1.895 -5.647 5.064 93 HB3 PRO 16 HB3 PRO 16 -1.784 -7.016 6.171 94 HG2 PRO 16 HG2 PRO 16 -1.920 -4.330 6.921 95 HG3 PRO 16 HG3 PRO 16 -1.419 -5.685 7.944 96 HD2 PRO 16 HD2 PRO 16 0.244 -3.680 6.509 97 HD3 PRO 16 HD3 PRO 16 0.517 -4.491 8.069 98 H THR 17 H THR 17 1.311 -7.410 3.447 99 HA THR 17 HA THR 17 1.440 -4.992 1.904 100 HB THR 17 HB THR 17 2.872 -6.407 0.423 101 HG1 THR 17 HG1 THR 17 3.346 -8.377 2.153 102 HG21 THR 17 HG21 THR 17 3.574 -6.374 3.358 103 HG22 THR 17 HG22 THR 17 3.805 -5.038 2.235 104 HG23 THR 17 HG23 THR 17 4.727 -6.533 2.032 105 H VAL 18 H VAL 18 -0.659 -7.553 2.198 106 HA VAL 18 HA VAL 18 -1.509 -7.588 -0.580 107 HB VAL 18 HB VAL 18 -2.695 -8.983 1.842 108 HG11 VAL 18 HG11 VAL 18 -3.908 -10.371 0.229 109 HG12 VAL 18 HG12 VAL 18 -3.238 -9.422 -1.097 110 HG13 VAL 18 HG13 VAL 18 -4.343 -8.671 0.053 111 HG21 VAL 18 HG21 VAL 18 -0.431 -9.712 1.294 112 HG22 VAL 18 HG22 VAL 18 -0.965 -10.104 -0.348 113 HG23 VAL 18 HG23 VAL 18 -1.621 -10.979 1.036 114 H CYS 19 H CYS 19 -2.903 -6.173 -1.287 115 HA CYS 19 HA CYS 19 -4.435 -4.606 0.604 116 HB2 CYS 19 HB2 CYS 19 -4.234 -4.362 -2.413 117 HB3 CYS 19 HB3 CYS 19 -5.050 -3.233 -1.327 118 H ALA 20 H ALA 20 -6.677 -4.386 0.397 119 HA ALA 20 HA ALA 20 -8.147 -6.734 0.230 120 HB1 ALA 20 HB1 ALA 20 -10.118 -5.295 0.299 121 HB2 ALA 20 HB2 ALA 20 -9.115 -3.900 -0.100 122 HB3 ALA 20 HB3 ALA 20 -8.889 -4.738 1.435 123 H SER 21 H SER 21 -9.595 -7.523 -1.314 124 HA SER 21 HA SER 21 -8.689 -7.493 -3.934 125 HB2 SER 21 HB2 SER 21 -11.383 -8.314 -2.846 126 HB3 SER 21 HB3 SER 21 -10.740 -8.767 -4.427 127 HG SER 21 HG SER 21 -10.313 -9.923 -2.069 128 H GLY 22 H GLY 22 -8.900 -6.057 -5.476 129 HA2 GLY 22 HA2 GLY 22 -10.314 -4.643 -6.818 130 HA3 GLY 22 HA3 GLY 22 -11.145 -4.176 -5.339 131 H THR 23 H THR 23 -8.304 -4.166 -4.094 132 HA THR 23 HA THR 23 -7.531 -1.565 -5.191 133 HB THR 23 HB THR 23 -6.595 -0.989 -2.947 134 HG1 THR 23 HG1 THR 23 -7.438 -3.578 -2.362 135 HG21 THR 23 HG21 THR 23 -9.518 -1.707 -2.904 136 HG22 THR 23 HG22 THR 23 -8.814 -0.204 -3.508 137 HG23 THR 23 HG23 THR 23 -8.711 -0.605 -1.793 138 H THR 24 H THR 24 -5.390 -1.214 -5.580 139 HA THR 24 HA THR 24 -3.726 -3.629 -5.491 140 HB THR 24 HB THR 24 -2.558 -2.545 -7.483 141 HG1 THR 24 HG1 THR 24 -4.695 -0.746 -7.116 142 HG21 THR 24 HG21 THR 24 -5.423 -3.466 -7.789 143 HG22 THR 24 HG22 THR 24 -4.006 -4.510 -7.692 144 HG23 THR 24 HG23 THR 24 -4.217 -3.437 -9.075 145 H CYS 25 H CYS 25 -1.597 -3.452 -4.832 146 HA CYS 25 HA CYS 25 -1.012 -1.126 -3.242 147 HB2 CYS 25 HB2 CYS 25 -0.441 -3.404 -2.423 148 HB3 CYS 25 HB3 CYS 25 0.642 -3.624 -3.793 149 H GLN 26 H GLN 26 -0.603 0.578 -4.521 150 HA GLN 26 HA GLN 26 1.299 0.199 -6.706 151 HB2 GLN 26 HB2 GLN 26 -0.618 2.475 -6.187 152 HB3 GLN 26 HB3 GLN 26 0.483 2.365 -7.551 153 HG2 GLN 26 HG2 GLN 26 -0.686 0.306 -8.282 154 HG3 GLN 26 HG3 GLN 26 -1.821 0.520 -6.953 155 HE21 GLN 26 HE21 GLN 26 -3.540 0.687 -8.350 156 HE22 GLN 26 HE22 GLN 26 -3.836 2.091 -9.302 157 H VAL 27 H VAL 27 3.194 1.235 -6.718 158 HA VAL 27 HA VAL 27 4.029 2.382 -4.225 159 HB VAL 27 HB VAL 27 5.604 1.995 -6.801 160 HG11 VAL 27 HG11 VAL 27 6.537 2.436 -3.970 161 HG12 VAL 27 HG12 VAL 27 6.638 3.598 -5.293 162 HG13 VAL 27 HG13 VAL 27 7.577 2.104 -5.352 163 HG21 VAL 27 HG21 VAL 27 5.413 0.183 -4.395 164 HG22 VAL 27 HG22 VAL 27 6.495 -0.043 -5.769 165 HG23 VAL 27 HG23 VAL 27 4.747 -0.142 -5.994 166 H LEU 28 H LEU 28 3.260 4.335 -3.948 167 HA LEU 28 HA LEU 28 2.731 6.166 -6.119 168 HB2 LEU 28 HB2 LEU 28 1.485 5.773 -3.782 169 HB3 LEU 28 HB3 LEU 28 2.674 6.909 -3.219 170 HG LEU 28 HG LEU 28 0.630 7.502 -5.364 171 HD11 LEU 28 HD11 LEU 28 0.715 8.317 -2.472 172 HD12 LEU 28 HD12 LEU 28 -0.425 7.198 -3.220 173 HD13 LEU 28 HD13 LEU 28 -0.437 8.901 -3.670 174 HD21 LEU 28 HD21 LEU 28 2.540 9.346 -3.924 175 HD22 LEU 28 HD22 LEU 28 1.299 9.834 -5.082 176 HD23 LEU 28 HD23 LEU 28 2.664 8.851 -5.612 177 H ASN 29 H ASN 29 4.890 5.907 -3.375 178 HA ASN 29 HA ASN 29 6.716 7.849 -4.578 179 HB2 ASN 29 HB2 ASN 29 6.035 7.572 -1.621 180 HB3 ASN 29 HB3 ASN 29 7.283 8.606 -2.288 181 HD21 ASN 29 HD21 ASN 29 3.888 8.220 -1.741 182 HD22 ASN 29 HD22 ASN 29 3.454 9.824 -2.199 183 HA PRO 30 HA PRO 30 9.791 4.712 -4.124 184 HB2 PRO 30 HB2 PRO 30 11.278 6.407 -2.171 185 HB3 PRO 30 HB3 PRO 30 11.861 5.589 -3.627 186 HG2 PRO 30 HG2 PRO 30 11.440 8.191 -3.689 187 HG3 PRO 30 HG3 PRO 30 10.932 7.177 -5.052 188 HD2 PRO 30 HD2 PRO 30 9.279 8.375 -2.863 189 HD3 PRO 30 HD3 PRO 30 8.910 8.216 -4.594 190 H TYR 31 H TYR 31 8.867 6.158 -1.006 191 HA TYR 31 HA TYR 31 9.239 3.495 0.175 192 HB2 TYR 31 HB2 TYR 31 9.117 6.177 1.591 193 HB3 TYR 31 HB3 TYR 31 9.331 4.618 2.367 194 HD1 TYR 31 HD1 TYR 31 10.941 7.146 0.209 195 HD2 TYR 31 HD2 TYR 31 11.429 3.531 2.373 196 HE1 TYR 31 HE1 TYR 31 13.386 7.324 -0.055 197 HE2 TYR 31 HE2 TYR 31 13.857 3.690 2.114 198 HH TYR 31 HH TYR 31 15.429 4.744 0.504 199 H TYR 32 H TYR 32 6.893 5.960 -0.523 200 HA TYR 32 HA TYR 32 4.947 4.593 1.151 201 HB2 TYR 32 HB2 TYR 32 5.001 7.153 1.093 202 HB3 TYR 32 HB3 TYR 32 4.438 6.993 -0.565 203 HD1 TYR 32 HD1 TYR 32 2.184 7.035 -1.018 204 HD2 TYR 32 HD2 TYR 32 3.485 5.860 2.854 205 HE1 TYR 32 HE1 TYR 32 -0.152 6.865 -0.289 206 HE2 TYR 32 HE2 TYR 32 1.145 5.691 3.593 207 HH TYR 32 HH TYR 32 -1.016 6.475 3.008 208 H SER 33 H SER 33 3.955 2.898 0.349 209 HA SER 33 HA SER 33 3.021 3.007 -2.429 210 HB2 SER 33 HB2 SER 33 3.475 0.554 -0.693 211 HB3 SER 33 HB3 SER 33 3.051 0.565 -2.405 212 HG SER 33 HG SER 33 5.349 0.267 -1.730 213 H GLN 34 H GLN 34 0.777 2.634 -2.694 214 HA GLN 34 HA GLN 34 -0.740 2.484 -0.183 215 HB2 GLN 34 HB2 GLN 34 -0.477 4.838 -0.865 216 HB3 GLN 34 HB3 GLN 34 -1.203 4.460 -2.417 217 HG2 GLN 34 HG2 GLN 34 -3.289 3.874 -1.305 218 HG3 GLN 34 HG3 GLN 34 -2.561 4.234 0.258 219 HE21 GLN 34 HE21 GLN 34 -2.185 6.379 0.821 220 HE22 GLN 34 HE22 GLN 34 -2.918 7.682 -0.037 221 H CYS 35 H CYS 35 -2.656 1.346 -0.323 222 HA CYS 35 HA CYS 35 -3.144 -0.154 -2.683 223 HB2 CYS 35 HB2 CYS 35 -4.933 0.111 -0.247 224 HB3 CYS 35 HB3 CYS 35 -4.968 -1.116 -1.484 225 H LEU 36 H LEU 36 -3.859 0.869 -4.354 226 HA LEU 36 HA LEU 36 -6.073 2.764 -4.130 227 HB2 LEU 36 HB2 LEU 36 -3.997 2.346 -6.288 228 HB3 LEU 36 HB3 LEU 36 -5.408 3.363 -6.494 229 HG LEU 36 HG LEU 36 -3.253 3.833 -4.427 230 HD11 LEU 36 HD11 LEU 36 -3.775 5.233 -7.046 231 HD12 LEU 36 HD12 LEU 36 -2.419 4.154 -6.716 232 HD13 LEU 36 HD13 LEU 36 -2.560 5.686 -5.852 233 HD21 LEU 36 HD21 LEU 36 -5.434 4.705 -3.770 234 HD22 LEU 36 HD22 LEU 36 -5.588 5.519 -5.325 235 HD23 LEU 36 HD23 LEU 36 -4.333 6.014 -4.191 236 H1 MAN 101 H1 MAN 101 9.515 -3.165 10.213 237 H2 MAN 101 H2 MAN 101 10.590 -1.612 8.577 238 H3 MAN 101 H3 MAN 101 10.845 -3.148 6.700 239 H4 MAN 101 H4 MAN 101 12.926 -4.552 8.455 240 H5 MAN 101 H5 MAN 101 10.161 -5.510 7.488 241 H61 MAN 101 H61 MAN 101 12.354 -6.708 9.198 242 H62 MAN 101 H62 MAN 101 11.716 -7.366 7.673 243 HO2 MAN 101 HO2 MAN 101 12.301 -3.435 9.972 244 HO3 MAN 101 HO3 MAN 101 13.326 -2.362 7.880 245 HO4 MAN 101 HO4 MAN 101 13.378 -4.479 6.245 246 HO6 MAN 101 HO6 MAN 101 9.742 -6.851 9.516 Start of MODEL 6 1 H1 THR 1 H1 THR 1 -7.505 -7.844 5.139 2 H2 THR 1 H2 THR 1 -5.957 -8.163 5.734 3 H3 THR 1 H3 THR 1 -6.678 -9.237 4.644 4 HA THR 1 HA THR 1 -5.035 -7.907 3.563 5 HB THR 1 HB THR 1 -6.581 -6.856 1.849 6 HG1 THR 1 HG1 THR 1 -8.870 -7.631 2.291 7 HG21 THR 1 HG21 THR 1 -7.500 -9.010 1.092 8 HG22 THR 1 HG22 THR 1 -7.195 -9.703 2.684 9 HG23 THR 1 HG23 THR 1 -5.845 -9.195 1.669 10 H GLN 2 H GLN 2 -4.299 -5.833 2.952 11 HA GLN 2 HA GLN 2 -4.557 -3.867 5.018 12 HB2 GLN 2 HB2 GLN 2 -2.563 -4.605 3.352 13 HB3 GLN 2 HB3 GLN 2 -3.216 -3.264 2.430 14 HG2 GLN 2 HG2 GLN 2 -2.178 -3.119 5.260 15 HG3 GLN 2 HG3 GLN 2 -1.328 -2.587 3.817 16 HE21 GLN 2 HE21 GLN 2 -2.096 -0.839 2.733 17 HE22 GLN 2 HE22 GLN 2 -3.066 0.360 3.498 18 H SER 3 H SER 3 -5.436 -1.762 4.745 19 HA SER 3 HA SER 3 -7.802 -1.845 3.135 20 HB2 SER 3 HB2 SER 3 -6.896 0.103 5.237 21 HB3 SER 3 HB3 SER 3 -8.497 0.068 4.486 22 HG SER 3 HG SER 3 -7.987 -1.146 6.588 23 H HIS 4 H HIS 4 -8.625 -0.004 2.065 24 HA HIS 4 HA HIS 4 -7.017 0.916 -0.062 25 HB2 HIS 4 HB2 HIS 4 -9.498 0.454 -0.054 26 HB3 HIS 4 HB3 HIS 4 -9.711 1.915 0.886 27 HD1 HIS 4 HD1 HIS 4 -11.131 3.091 -0.878 28 HD2 HIS 4 HD2 HIS 4 -7.434 1.864 -2.296 29 HE1 HIS 4 HE1 HIS 4 -10.959 4.009 -3.202 30 HE2 HIS 4 HE2 HIS 4 -8.939 2.870 -4.115 31 H TYR 5 H TYR 5 -5.897 2.765 -0.275 32 HA TYR 5 HA TYR 5 -4.991 4.764 0.050 33 HB2 TYR 5 HB2 TYR 5 -7.191 5.245 2.059 34 HB3 TYR 5 HB3 TYR 5 -5.953 6.442 1.685 35 HD1 TYR 5 HD1 TYR 5 -5.714 6.897 -0.930 36 HD2 TYR 5 HD2 TYR 5 -9.193 5.411 0.993 37 HE1 TYR 5 HE1 TYR 5 -7.082 7.733 -2.785 38 HE2 TYR 5 HE2 TYR 5 -10.572 6.234 -0.856 39 HH TYR 5 HH TYR 5 -10.439 7.941 -2.546 40 H GLY 6 H GLY 6 -4.748 2.305 1.970 41 HA2 GLY 6 HA2 GLY 6 -3.050 3.697 3.889 42 HA3 GLY 6 HA3 GLY 6 -3.573 2.016 4.013 43 H GLN 7 H GLN 7 -0.936 2.806 4.281 44 HA GLN 7 HA GLN 7 0.457 2.359 1.830 45 HB2 GLN 7 HB2 GLN 7 1.488 3.714 3.570 46 HB3 GLN 7 HB3 GLN 7 1.443 2.359 4.688 47 HG2 GLN 7 HG2 GLN 7 2.987 1.139 3.370 48 HG3 GLN 7 HG3 GLN 7 3.015 2.375 2.118 49 HE21 GLN 7 HE21 GLN 7 5.300 2.776 2.340 50 HE22 GLN 7 HE22 GLN 7 5.889 3.569 3.732 51 H CYS 8 H CYS 8 0.779 0.539 0.901 52 HA CYS 8 HA CYS 8 0.006 -1.948 2.149 53 HB2 CYS 8 HB2 CYS 8 0.533 -2.881 -0.137 54 HB3 CYS 8 HB3 CYS 8 -0.754 -1.683 -0.056 55 H GLY 9 H GLY 9 2.967 -0.772 0.569 56 HA2 GLY 9 HA2 GLY 9 4.654 -2.011 2.426 57 HA3 GLY 9 HA3 GLY 9 4.424 -3.087 1.054 58 H GLY 10 H GLY 10 5.577 -0.009 2.084 59 HA2 GLY 10 HA2 GLY 10 7.150 0.169 -0.391 60 HA3 GLY 10 HA3 GLY 10 6.720 1.555 0.622 61 H ILE 11 H ILE 11 9.291 1.476 0.264 62 HA ILE 11 HA ILE 11 10.789 -0.274 1.877 63 HB ILE 11 HB ILE 11 11.518 2.586 1.153 64 HG12 ILE 11 HG12 ILE 11 12.122 0.046 -0.379 65 HG13 ILE 11 HG13 ILE 11 10.908 1.235 -0.839 66 HG21 ILE 11 HG21 ILE 11 13.836 1.794 1.373 67 HG22 ILE 11 HG22 ILE 11 13.244 0.206 1.862 68 HG23 ILE 11 HG23 ILE 11 12.943 1.613 2.882 69 HD11 ILE 11 HD11 ILE 11 12.952 1.488 -2.141 70 HD12 ILE 11 HD12 ILE 11 13.876 1.723 -0.655 71 HD13 ILE 11 HD13 ILE 11 12.660 2.906 -1.134 72 H GLY 12 H GLY 12 10.566 -0.485 3.990 73 HA2 GLY 12 HA2 GLY 12 11.060 0.497 6.157 74 HA3 GLY 12 HA3 GLY 12 10.215 1.938 5.608 75 H TYR 13 H TYR 13 8.202 -0.072 4.332 76 HA TYR 13 HA TYR 13 6.623 -0.215 6.777 77 HB2 TYR 13 HB2 TYR 13 5.535 0.846 4.793 78 HB3 TYR 13 HB3 TYR 13 5.687 -0.680 3.923 79 HD1 TYR 13 HD1 TYR 13 4.214 -2.569 4.447 80 HD2 TYR 13 HD2 TYR 13 3.921 1.068 6.627 81 HE1 TYR 13 HE1 TYR 13 2.109 -3.342 5.434 82 HE2 TYR 13 HE2 TYR 13 1.804 0.302 7.620 83 HH TYR 13 HH TYR 13 -0.013 -1.338 7.091 84 H SER 14 H SER 14 5.905 -2.078 7.647 85 HA SER 14 HA SER 14 6.552 -4.603 6.311 86 HB2 SER 14 HB2 SER 14 6.902 -4.185 9.268 87 HB3 SER 14 HB3 SER 14 7.627 -5.417 8.225 88 H GLY 15 H GLY 15 4.822 -6.040 6.534 89 HA2 GLY 15 HA2 GLY 15 3.165 -6.637 8.446 90 HA3 GLY 15 HA3 GLY 15 2.550 -5.035 8.045 91 HA PRO 16 HA PRO 16 0.199 -7.809 5.344 92 HB2 PRO 16 HB2 PRO 16 -1.800 -5.677 5.297 93 HB3 PRO 16 HB3 PRO 16 -1.959 -7.320 5.913 94 HG2 PRO 16 HG2 PRO 16 -1.918 -5.141 7.530 95 HG3 PRO 16 HG3 PRO 16 -1.314 -6.727 8.036 96 HD2 PRO 16 HD2 PRO 16 0.218 -4.329 7.094 97 HD3 PRO 16 HD3 PRO 16 0.579 -5.461 8.416 98 H THR 17 H THR 17 1.398 -7.641 3.487 99 HA THR 17 HA THR 17 1.411 -5.161 2.039 100 HB THR 17 HB THR 17 2.931 -6.565 0.499 101 HG1 THR 17 HG1 THR 17 2.829 -8.608 1.049 102 HG21 THR 17 HG21 THR 17 4.835 -6.235 2.008 103 HG22 THR 17 HG22 THR 17 3.736 -6.072 3.375 104 HG23 THR 17 HG23 THR 17 3.735 -4.859 2.097 105 H VAL 18 H VAL 18 -0.723 -7.618 2.222 106 HA VAL 18 HA VAL 18 -1.410 -7.530 -0.619 107 HB VAL 18 HB VAL 18 -2.571 -9.337 1.538 108 HG11 VAL 18 HG11 VAL 18 -2.872 -9.429 -1.460 109 HG12 VAL 18 HG12 VAL 18 -4.110 -8.948 -0.300 110 HG13 VAL 18 HG13 VAL 18 -3.522 -10.610 -0.321 111 HG21 VAL 18 HG21 VAL 18 -1.263 -11.138 0.510 112 HG22 VAL 18 HG22 VAL 18 -0.218 -9.864 1.142 113 HG23 VAL 18 HG23 VAL 18 -0.528 -9.972 -0.590 114 H CYS 19 H CYS 19 -2.786 -6.004 -1.106 115 HA CYS 19 HA CYS 19 -4.303 -4.625 0.890 116 HB2 CYS 19 HB2 CYS 19 -4.323 -4.318 -2.118 117 HB3 CYS 19 HB3 CYS 19 -4.994 -3.186 -0.953 118 H ALA 20 H ALA 20 -6.647 -4.164 0.494 119 HA ALA 20 HA ALA 20 -8.190 -6.490 0.540 120 HB1 ALA 20 HB1 ALA 20 -10.116 -4.988 0.522 121 HB2 ALA 20 HB2 ALA 20 -9.084 -3.652 0.019 122 HB3 ALA 20 HB3 ALA 20 -8.863 -4.385 1.607 123 H SER 21 H SER 21 -9.805 -7.209 -0.906 124 HA SER 21 HA SER 21 -8.995 -7.549 -3.511 125 HB2 SER 21 HB2 SER 21 -11.486 -8.313 -3.692 126 HB3 SER 21 HB3 SER 21 -10.369 -9.196 -2.645 127 HG SER 21 HG SER 21 -12.374 -7.329 -1.930 128 H GLY 22 H GLY 22 -8.866 -6.086 -5.023 129 HA2 GLY 22 HA2 GLY 22 -10.082 -4.780 -6.633 130 HA3 GLY 22 HA3 GLY 22 -11.044 -4.147 -5.300 131 H THR 23 H THR 23 -8.170 -4.210 -3.925 132 HA THR 23 HA THR 23 -7.462 -1.582 -5.000 133 HB THR 23 HB THR 23 -6.597 -0.966 -2.759 134 HG1 THR 23 HG1 THR 23 -7.283 -3.632 -2.226 135 HG21 THR 23 HG21 THR 23 -9.429 -2.006 -2.679 136 HG22 THR 23 HG22 THR 23 -8.920 -0.427 -3.283 137 HG23 THR 23 HG23 THR 23 -8.736 -0.821 -1.574 138 H THR 24 H THR 24 -5.336 -1.145 -5.411 139 HA THR 24 HA THR 24 -3.645 -3.546 -5.468 140 HB THR 24 HB THR 24 -2.529 -2.409 -7.433 141 HG1 THR 24 HG1 THR 24 -4.676 -0.635 -6.972 142 HG21 THR 24 HG21 THR 24 -4.267 -3.143 -9.029 143 HG22 THR 24 HG22 THR 24 -5.419 -3.244 -7.694 144 HG23 THR 24 HG23 THR 24 -4.013 -4.309 -7.730 145 H CYS 25 H CYS 25 -1.485 -3.377 -4.971 146 HA CYS 25 HA CYS 25 -0.773 -1.153 -3.290 147 HB2 CYS 25 HB2 CYS 25 -0.084 -3.469 -2.691 148 HB3 CYS 25 HB3 CYS 25 0.867 -3.562 -4.167 149 H GLN 26 H GLN 26 -0.437 0.648 -4.420 150 HA GLN 26 HA GLN 26 1.181 0.447 -6.841 151 HB2 GLN 26 HB2 GLN 26 -0.695 2.609 -5.916 152 HB3 GLN 26 HB3 GLN 26 0.263 2.675 -7.385 153 HG2 GLN 26 HG2 GLN 26 -0.908 0.647 -8.185 154 HG3 GLN 26 HG3 GLN 26 -1.921 0.712 -6.743 155 HE21 GLN 26 HE21 GLN 26 -3.782 0.988 -7.926 156 HE22 GLN 26 HE22 GLN 26 -4.154 2.469 -8.740 157 H VAL 27 H VAL 27 3.081 1.338 -6.939 158 HA VAL 27 HA VAL 27 4.143 2.558 -4.557 159 HB VAL 27 HB VAL 27 5.506 1.955 -7.205 160 HG11 VAL 27 HG11 VAL 27 7.606 2.209 -5.972 161 HG12 VAL 27 HG12 VAL 27 6.701 2.682 -4.534 162 HG13 VAL 27 HG13 VAL 27 6.667 3.702 -5.971 163 HG21 VAL 27 HG21 VAL 27 6.485 0.039 -6.047 164 HG22 VAL 27 HG22 VAL 27 4.723 -0.071 -6.106 165 HG23 VAL 27 HG23 VAL 27 5.530 0.423 -4.616 166 H LEU 28 H LEU 28 3.383 4.564 -4.348 167 HA LEU 28 HA LEU 28 3.241 6.388 -6.577 168 HB2 LEU 28 HB2 LEU 28 2.803 6.722 -3.632 169 HB3 LEU 28 HB3 LEU 28 2.775 8.097 -4.699 170 HG LEU 28 HG LEU 28 0.937 6.737 -5.951 171 HD11 LEU 28 HD11 LEU 28 0.816 5.484 -3.239 172 HD12 LEU 28 HD12 LEU 28 1.200 4.670 -4.756 173 HD13 LEU 28 HD13 LEU 28 -0.416 5.342 -4.496 174 HD21 LEU 28 HD21 LEU 28 0.467 8.052 -3.297 175 HD22 LEU 28 HD22 LEU 28 -0.758 7.763 -4.549 176 HD23 LEU 28 HD23 LEU 28 0.621 8.826 -4.878 177 H ASN 29 H ASN 29 5.015 6.194 -3.582 178 HA ASN 29 HA ASN 29 7.101 7.927 -4.716 179 HB2 ASN 29 HB2 ASN 29 6.345 7.463 -1.811 180 HB3 ASN 29 HB3 ASN 29 7.610 8.512 -2.414 181 HD21 ASN 29 HD21 ASN 29 6.695 10.186 -1.253 182 HD22 ASN 29 HD22 ASN 29 5.286 11.017 -1.773 183 HA PRO 30 HA PRO 30 9.997 4.569 -4.168 184 HB2 PRO 30 HB2 PRO 30 11.530 6.206 -2.203 185 HB3 PRO 30 HB3 PRO 30 12.101 5.373 -3.656 186 HG2 PRO 30 HG2 PRO 30 11.806 8.000 -3.673 187 HG3 PRO 30 HG3 PRO 30 11.310 7.033 -5.074 188 HD2 PRO 30 HD2 PRO 30 9.633 8.268 -2.933 189 HD3 PRO 30 HD3 PRO 30 9.311 8.159 -4.675 190 H TYR 31 H TYR 31 9.148 6.197 -1.090 191 HA TYR 31 HA TYR 31 9.405 3.582 0.228 192 HB2 TYR 31 HB2 TYR 31 9.053 6.308 1.527 193 HB3 TYR 31 HB3 TYR 31 9.424 4.798 2.325 194 HD1 TYR 31 HD1 TYR 31 10.805 7.358 0.019 195 HD2 TYR 31 HD2 TYR 31 11.652 4.042 2.534 196 HE1 TYR 31 HE1 TYR 31 13.190 7.824 -0.194 197 HE2 TYR 31 HE2 TYR 31 14.050 4.496 2.317 198 HH TYR 31 HH TYR 31 15.229 7.399 1.034 199 H TYR 32 H TYR 32 7.136 6.038 -0.738 200 HA TYR 32 HA TYR 32 5.104 4.791 0.905 201 HB2 TYR 32 HB2 TYR 32 5.264 7.320 0.799 202 HB3 TYR 32 HB3 TYR 32 4.653 7.196 -0.848 203 HD1 TYR 32 HD1 TYR 32 3.856 6.019 2.570 204 HD2 TYR 32 HD2 TYR 32 2.351 7.296 -1.203 205 HE1 TYR 32 HE1 TYR 32 1.584 5.876 3.446 206 HE2 TYR 32 HE2 TYR 32 0.055 7.154 -0.318 207 HH TYR 32 HH TYR 32 -0.570 6.746 3.027 208 H SER 33 H SER 33 4.041 3.157 0.189 209 HA SER 33 HA SER 33 3.113 3.165 -2.587 210 HB2 SER 33 HB2 SER 33 3.775 0.738 -0.883 211 HB3 SER 33 HB3 SER 33 3.317 0.742 -2.589 212 HG SER 33 HG SER 33 5.347 2.291 -2.576 213 H GLN 34 H GLN 34 0.884 2.889 -2.740 214 HA GLN 34 HA GLN 34 -0.542 2.578 -0.178 215 HB2 GLN 34 HB2 GLN 34 -0.378 4.942 -0.764 216 HB3 GLN 34 HB3 GLN 34 -1.065 4.616 -2.348 217 HG2 GLN 34 HG2 GLN 34 -3.164 3.998 -1.314 218 HG3 GLN 34 HG3 GLN 34 -2.465 4.248 0.283 219 HE21 GLN 34 HE21 GLN 34 -2.027 6.363 0.970 220 HE22 GLN 34 HE22 GLN 34 -2.783 7.712 0.216 221 H CYS 35 H CYS 35 -2.504 1.483 -0.264 222 HA CYS 35 HA CYS 35 -2.993 -0.130 -2.570 223 HB2 CYS 35 HB2 CYS 35 -4.668 0.190 -0.077 224 HB3 CYS 35 HB3 CYS 35 -4.792 -1.060 -1.285 225 H LEU 36 H LEU 36 -3.793 0.917 -4.234 226 HA LEU 36 HA LEU 36 -6.154 2.606 -3.862 227 HB2 LEU 36 HB2 LEU 36 -4.123 2.548 -6.095 228 HB3 LEU 36 HB3 LEU 36 -5.624 3.442 -6.177 229 HG LEU 36 HG LEU 36 -3.418 3.952 -4.177 230 HD11 LEU 36 HD11 LEU 36 -2.763 4.550 -6.454 231 HD12 LEU 36 HD12 LEU 36 -3.018 5.988 -5.465 232 HD13 LEU 36 HD13 LEU 36 -4.240 5.496 -6.638 233 HD21 LEU 36 HD21 LEU 36 -5.617 4.538 -3.302 234 HD22 LEU 36 HD22 LEU 36 -5.980 5.444 -4.766 235 HD23 LEU 36 HD23 LEU 36 -4.702 5.993 -3.683 236 H1 MAN 101 H1 MAN 101 9.080 -3.836 10.037 237 H2 MAN 101 H2 MAN 101 9.791 -1.660 9.196 238 H3 MAN 101 H3 MAN 101 10.243 -2.329 6.896 239 H4 MAN 101 H4 MAN 101 12.593 -3.789 8.164 240 H5 MAN 101 H5 MAN 101 10.107 -4.740 6.645 241 H61 MAN 101 H61 MAN 101 12.497 -6.242 7.788 242 H62 MAN 101 H62 MAN 101 11.938 -6.168 6.094 243 HO2 MAN 101 HO2 MAN 101 10.995 -2.722 10.836 244 HO3 MAN 101 HO3 MAN 101 12.241 -1.225 6.693 245 HO4 MAN 101 HO4 MAN 101 13.133 -2.799 6.160 246 HO6 MAN 101 HO6 MAN 101 10.214 -7.134 8.121 Start of MODEL 7 1 H1 THR 1 H1 THR 1 -4.575 -7.798 6.617 2 H2 THR 1 H2 THR 1 -5.575 -9.035 5.992 3 H3 THR 1 H3 THR 1 -6.250 -7.605 6.588 4 HA THR 1 HA THR 1 -4.476 -7.753 4.279 5 HB THR 1 HB THR 1 -7.505 -7.506 4.368 6 HG1 THR 1 HG1 THR 1 -7.050 -9.759 3.340 7 HG21 THR 1 HG21 THR 1 -5.571 -8.069 2.112 8 HG22 THR 1 HG22 THR 1 -6.403 -6.538 2.374 9 HG23 THR 1 HG23 THR 1 -7.325 -7.989 1.972 10 H GLN 2 H GLN 2 -4.164 -5.664 3.295 11 HA GLN 2 HA GLN 2 -4.610 -3.532 5.211 12 HB2 GLN 2 HB2 GLN 2 -2.380 -4.233 3.931 13 HB3 GLN 2 HB3 GLN 2 -3.016 -3.178 2.696 14 HG2 GLN 2 HG2 GLN 2 -2.605 -2.317 5.561 15 HG3 GLN 2 HG3 GLN 2 -1.383 -2.130 4.310 16 HE21 GLN 2 HE21 GLN 2 -3.118 -1.417 2.220 17 HE22 GLN 2 HE22 GLN 2 -3.794 0.112 2.583 18 H SER 3 H SER 3 -5.839 -1.768 4.836 19 HA SER 3 HA SER 3 -7.975 -2.089 2.967 20 HB2 SER 3 HB2 SER 3 -7.461 0.073 4.990 21 HB3 SER 3 HB3 SER 3 -8.995 -0.266 4.188 22 HG SER 3 HG SER 3 -8.119 -1.310 6.407 23 H HIS 4 H HIS 4 -8.905 -0.054 1.971 24 HA HIS 4 HA HIS 4 -7.249 0.797 -0.147 25 HB2 HIS 4 HB2 HIS 4 -9.802 0.505 -0.070 26 HB3 HIS 4 HB3 HIS 4 -9.847 2.068 0.723 27 HD1 HIS 4 HD1 HIS 4 -11.346 2.663 -1.429 28 HD2 HIS 4 HD2 HIS 4 -7.328 1.984 -2.148 29 HE1 HIS 4 HE1 HIS 4 -10.939 3.464 -3.761 30 HE2 HIS 4 HE2 HIS 4 -8.642 2.514 -4.236 31 H TYR 5 H TYR 5 -6.004 2.563 -0.356 32 HA TYR 5 HA TYR 5 -5.026 4.495 -0.100 33 HB2 TYR 5 HB2 TYR 5 -7.266 5.223 1.788 34 HB3 TYR 5 HB3 TYR 5 -5.979 6.335 1.346 35 HD1 TYR 5 HD1 TYR 5 -5.608 6.549 -1.285 36 HD2 TYR 5 HD2 TYR 5 -9.232 5.328 0.569 37 HE1 TYR 5 HE1 TYR 5 -6.850 7.213 -3.295 38 HE2 TYR 5 HE2 TYR 5 -10.484 5.985 -1.437 39 HH TYR 5 HH TYR 5 -9.034 6.574 -4.389 40 H GLY 6 H GLY 6 -4.877 2.183 1.995 41 HA2 GLY 6 HA2 GLY 6 -3.150 3.614 3.878 42 HA3 GLY 6 HA3 GLY 6 -3.618 1.916 3.985 43 H GLN 7 H GLN 7 -1.010 2.402 4.346 44 HA GLN 7 HA GLN 7 0.362 2.185 1.803 45 HB2 GLN 7 HB2 GLN 7 1.402 3.574 3.536 46 HB3 GLN 7 HB3 GLN 7 1.405 2.217 4.648 47 HG2 GLN 7 HG2 GLN 7 3.045 1.058 3.297 48 HG3 GLN 7 HG3 GLN 7 2.993 2.324 2.073 49 HE21 GLN 7 HE21 GLN 7 5.283 2.765 2.338 50 HE22 GLN 7 HE22 GLN 7 5.846 3.540 3.747 51 H CYS 8 H CYS 8 0.703 0.356 0.860 52 HA CYS 8 HA CYS 8 -0.021 -2.124 2.135 53 HB2 CYS 8 HB2 CYS 8 0.618 -3.023 -0.180 54 HB3 CYS 8 HB3 CYS 8 -0.781 -1.960 -0.058 55 H GLY 9 H GLY 9 2.932 -0.871 0.617 56 HA2 GLY 9 HA2 GLY 9 4.617 -2.037 2.504 57 HA3 GLY 9 HA3 GLY 9 4.417 -3.171 1.176 58 H GLY 10 H GLY 10 5.524 -0.054 2.116 59 HA2 GLY 10 HA2 GLY 10 7.125 0.063 -0.340 60 HA3 GLY 10 HA3 GLY 10 6.691 1.467 0.646 61 H ILE 11 H ILE 11 9.210 1.479 0.371 62 HA ILE 11 HA ILE 11 10.719 -0.233 2.028 63 HB ILE 11 HB ILE 11 11.394 2.626 1.229 64 HG12 ILE 11 HG12 ILE 11 12.143 0.040 -0.164 65 HG13 ILE 11 HG13 ILE 11 10.901 1.151 -0.721 66 HG21 ILE 11 HG21 ILE 11 13.731 1.933 1.578 67 HG22 ILE 11 HG22 ILE 11 13.177 0.342 2.099 68 HG23 ILE 11 HG23 ILE 11 12.783 1.770 3.058 69 HD11 ILE 11 HD11 ILE 11 13.833 1.787 -0.454 70 HD12 ILE 11 HD12 ILE 11 12.584 2.881 -1.048 71 HD13 ILE 11 HD13 ILE 11 12.983 1.426 -1.957 72 H GLY 12 H GLY 12 10.893 -0.288 4.150 73 HA2 GLY 12 HA2 GLY 12 11.195 0.692 6.298 74 HA3 GLY 12 HA3 GLY 12 10.294 2.097 5.747 75 H TYR 13 H TYR 13 8.474 -0.200 4.550 76 HA TYR 13 HA TYR 13 6.800 -0.344 6.962 77 HB2 TYR 13 HB2 TYR 13 5.830 0.879 5.013 78 HB3 TYR 13 HB3 TYR 13 5.994 -0.578 4.047 79 HD1 TYR 13 HD1 TYR 13 3.968 1.199 6.463 80 HD2 TYR 13 HD2 TYR 13 4.541 -2.579 4.595 81 HE1 TYR 13 HE1 TYR 13 1.715 0.519 7.148 82 HE2 TYR 13 HE2 TYR 13 2.289 -3.266 5.284 83 HH TYR 13 HH TYR 13 0.017 -1.167 6.183 84 H SER 14 H SER 14 6.030 -2.320 7.624 85 HA SER 14 HA SER 14 6.385 -4.631 5.938 86 HB2 SER 14 HB2 SER 14 7.473 -5.910 7.736 87 HB3 SER 14 HB3 SER 14 8.453 -4.497 7.336 88 H GLY 15 H GLY 15 4.684 -6.098 6.328 89 HA2 GLY 15 HA2 GLY 15 3.162 -6.593 8.417 90 HA3 GLY 15 HA3 GLY 15 2.580 -4.992 7.959 91 HA PRO 16 HA PRO 16 0.117 -7.685 5.332 92 HB2 PRO 16 HB2 PRO 16 -1.931 -5.719 5.200 93 HB3 PRO 16 HB3 PRO 16 -1.928 -7.183 6.171 94 HG2 PRO 16 HG2 PRO 16 -1.811 -4.577 7.163 95 HG3 PRO 16 HG3 PRO 16 -1.435 -6.063 8.047 96 HD2 PRO 16 HD2 PRO 16 0.400 -4.084 6.810 97 HD3 PRO 16 HD3 PRO 16 0.612 -5.093 8.260 98 H THR 17 H THR 17 1.393 -7.457 3.513 99 HA THR 17 HA THR 17 1.434 -4.992 2.070 100 HB THR 17 HB THR 17 2.851 -6.303 0.453 101 HG1 THR 17 HG1 THR 17 3.270 -8.404 0.861 102 HG21 THR 17 HG21 THR 17 3.837 -5.034 2.303 103 HG22 THR 17 HG22 THR 17 4.748 -6.523 2.028 104 HG23 THR 17 HG23 THR 17 3.616 -6.413 3.374 105 H VAL 18 H VAL 18 -0.492 -7.770 2.103 106 HA VAL 18 HA VAL 18 -1.445 -7.490 -0.605 107 HB VAL 18 HB VAL 18 -2.580 -9.173 1.656 108 HG11 VAL 18 HG11 VAL 18 -4.225 -8.737 -0.088 109 HG12 VAL 18 HG12 VAL 18 -3.726 -10.428 -0.104 110 HG13 VAL 18 HG13 VAL 18 -3.093 -9.311 -1.314 111 HG21 VAL 18 HG21 VAL 18 -0.724 -9.963 -0.593 112 HG22 VAL 18 HG22 VAL 18 -1.448 -11.066 0.579 113 HG23 VAL 18 HG23 VAL 18 -0.295 -9.844 1.114 114 H CYS 19 H CYS 19 -2.925 -6.108 -1.198 115 HA CYS 19 HA CYS 19 -4.337 -4.510 0.743 116 HB2 CYS 19 HB2 CYS 19 -4.383 -4.425 -2.282 117 HB3 CYS 19 HB3 CYS 19 -5.029 -3.211 -1.190 118 H ALA 20 H ALA 20 -6.664 -4.156 0.431 119 HA ALA 20 HA ALA 20 -8.138 -6.537 0.428 120 HB1 ALA 20 HB1 ALA 20 -8.903 -4.518 1.578 121 HB2 ALA 20 HB2 ALA 20 -10.121 -5.092 0.432 122 HB3 ALA 20 HB3 ALA 20 -9.111 -3.709 0.023 123 H SER 21 H SER 21 -9.660 -7.341 -1.101 124 HA SER 21 HA SER 21 -8.785 -7.379 -3.714 125 HB2 SER 21 HB2 SER 21 -11.141 -8.394 -4.093 126 HB3 SER 21 HB3 SER 21 -10.020 -9.235 -3.013 127 HG SER 21 HG SER 21 -12.117 -7.469 -2.245 128 H GLY 22 H GLY 22 -8.981 -6.033 -5.311 129 HA2 GLY 22 HA2 GLY 22 -10.381 -4.642 -6.708 130 HA3 GLY 22 HA3 GLY 22 -11.164 -4.055 -5.244 131 H THR 23 H THR 23 -8.371 -4.045 -4.005 132 HA THR 23 HA THR 23 -7.590 -1.477 -5.192 133 HB THR 23 HB THR 23 -6.680 -0.821 -2.996 134 HG1 THR 23 HG1 THR 23 -7.319 -3.497 -2.364 135 HG21 THR 23 HG21 THR 23 -8.768 -0.711 -1.723 136 HG22 THR 23 HG22 THR 23 -9.465 -1.939 -2.778 137 HG23 THR 23 HG23 THR 23 -9.032 -0.357 -3.432 138 H THR 24 H THR 24 -5.422 -1.098 -5.611 139 HA THR 24 HA THR 24 -3.790 -3.530 -5.619 140 HB THR 24 HB THR 24 -2.700 -2.471 -7.663 141 HG1 THR 24 HG1 THR 24 -4.802 -0.634 -7.210 142 HG21 THR 24 HG21 THR 24 -5.606 -3.287 -7.835 143 HG22 THR 24 HG22 THR 24 -4.218 -4.377 -7.840 144 HG23 THR 24 HG23 THR 24 -4.471 -3.269 -9.185 145 H CYS 25 H CYS 25 -1.663 -3.366 -5.000 146 HA CYS 25 HA CYS 25 -0.953 -1.099 -3.405 147 HB2 CYS 25 HB2 CYS 25 -0.253 -3.371 -2.755 148 HB3 CYS 25 HB3 CYS 25 0.680 -3.521 -4.240 149 H GLN 26 H GLN 26 -0.522 0.729 -4.453 150 HA GLN 26 HA GLN 26 1.165 0.525 -6.806 151 HB2 GLN 26 HB2 GLN 26 -0.843 2.643 -6.073 152 HB3 GLN 26 HB3 GLN 26 0.236 2.740 -7.455 153 HG2 GLN 26 HG2 GLN 26 -0.774 0.628 -8.308 154 HG3 GLN 26 HG3 GLN 26 -1.925 0.700 -6.979 155 HE21 GLN 26 HE21 GLN 26 -3.660 0.863 -8.312 156 HE22 GLN 26 HE22 GLN 26 -4.028 2.286 -9.220 157 H VAL 27 H VAL 27 3.036 1.388 -6.798 158 HA VAL 27 HA VAL 27 4.039 2.589 -4.383 159 HB VAL 27 HB VAL 27 5.454 2.054 -7.019 160 HG11 VAL 27 HG11 VAL 27 6.618 3.699 -5.657 161 HG12 VAL 27 HG12 VAL 27 7.522 2.186 -5.722 162 HG13 VAL 27 HG13 VAL 27 6.587 2.596 -4.282 163 HG21 VAL 27 HG21 VAL 27 5.325 0.366 -4.524 164 HG22 VAL 27 HG22 VAL 27 6.350 0.045 -5.923 165 HG23 VAL 27 HG23 VAL 27 4.592 -0.008 -6.084 166 H LEU 28 H LEU 28 3.651 4.665 -4.088 167 HA LEU 28 HA LEU 28 3.231 6.423 -6.376 168 HB2 LEU 28 HB2 LEU 28 2.935 6.968 -3.420 169 HB3 LEU 28 HB3 LEU 28 2.497 8.077 -4.702 170 HG LEU 28 HG LEU 28 1.177 5.423 -4.117 171 HD11 LEU 28 HD11 LEU 28 -0.760 6.794 -3.540 172 HD12 LEU 28 HD12 LEU 28 0.210 8.250 -3.782 173 HD13 LEU 28 HD13 LEU 28 0.628 7.110 -2.500 174 HD21 LEU 28 HD21 LEU 28 0.556 7.495 -6.205 175 HD22 LEU 28 HD22 LEU 28 -0.449 6.096 -5.813 176 HD23 LEU 28 HD23 LEU 28 1.160 5.859 -6.498 177 H ASN 29 H ASN 29 5.211 6.160 -3.509 178 HA ASN 29 HA ASN 29 7.234 7.897 -4.750 179 HB2 ASN 29 HB2 ASN 29 6.680 7.619 -1.756 180 HB3 ASN 29 HB3 ASN 29 7.918 8.596 -2.516 181 HD21 ASN 29 HD21 ASN 29 5.880 9.383 -0.663 182 HD22 ASN 29 HD22 ASN 29 4.938 10.597 -1.435 183 HA PRO 30 HA PRO 30 10.006 4.445 -4.260 184 HB2 PRO 30 HB2 PRO 30 11.620 6.097 -2.359 185 HB3 PRO 30 HB3 PRO 30 12.155 5.146 -3.752 186 HG2 PRO 30 HG2 PRO 30 11.994 7.749 -3.996 187 HG3 PRO 30 HG3 PRO 30 11.344 6.720 -5.289 188 HD2 PRO 30 HD2 PRO 30 9.885 8.186 -3.131 189 HD3 PRO 30 HD3 PRO 30 9.458 8.018 -4.846 190 H TYR 31 H TYR 31 9.276 6.100 -1.217 191 HA TYR 31 HA TYR 31 9.511 3.522 0.184 192 HB2 TYR 31 HB2 TYR 31 9.192 6.313 1.318 193 HB3 TYR 31 HB3 TYR 31 9.443 4.853 2.255 194 HD1 TYR 31 HD1 TYR 31 11.643 4.176 2.793 195 HD2 TYR 31 HD2 TYR 31 11.070 7.025 -0.307 196 HE1 TYR 31 HE1 TYR 31 14.075 4.565 2.689 197 HE2 TYR 31 HE2 TYR 31 13.483 7.410 -0.417 198 HH TYR 31 HH TYR 31 15.679 5.367 0.952 199 H TYR 32 H TYR 32 7.199 5.872 -0.886 200 HA TYR 32 HA TYR 32 5.159 4.775 0.883 201 HB2 TYR 32 HB2 TYR 32 5.379 7.250 0.720 202 HB3 TYR 32 HB3 TYR 32 4.872 7.142 -0.962 203 HD1 TYR 32 HD1 TYR 32 2.621 7.623 -1.386 204 HD2 TYR 32 HD2 TYR 32 3.713 5.915 2.366 205 HE1 TYR 32 HE1 TYR 32 0.283 7.748 -0.629 206 HE2 TYR 32 HE2 TYR 32 1.376 6.043 3.101 207 HH TYR 32 HH TYR 32 -1.166 6.874 0.917 208 H SER 33 H SER 33 4.050 3.112 0.219 209 HA SER 33 HA SER 33 3.132 3.038 -2.560 210 HB2 SER 33 HB2 SER 33 3.759 0.652 -0.788 211 HB3 SER 33 HB3 SER 33 3.338 0.626 -2.504 212 HG SER 33 HG SER 33 5.462 0.606 -2.673 213 H GLN 34 H GLN 34 0.937 2.853 -2.726 214 HA GLN 34 HA GLN 34 -0.555 2.476 -0.231 215 HB2 GLN 34 HB2 GLN 34 -0.487 4.811 -0.478 216 HB3 GLN 34 HB3 GLN 34 -0.724 4.746 -2.206 217 HG2 GLN 34 HG2 GLN 34 -3.042 4.074 -1.865 218 HG3 GLN 34 HG3 GLN 34 -2.785 4.083 -0.117 219 HE21 GLN 34 HE21 GLN 34 -2.798 6.018 0.967 220 HE22 GLN 34 HE22 GLN 34 -3.152 7.515 0.187 221 H CYS 35 H CYS 35 -2.494 1.411 -0.389 222 HA CYS 35 HA CYS 35 -2.970 -0.091 -2.770 223 HB2 CYS 35 HB2 CYS 35 -4.669 0.140 -0.287 224 HB3 CYS 35 HB3 CYS 35 -4.786 -1.073 -1.543 225 H LEU 36 H LEU 36 -3.795 0.924 -4.423 226 HA LEU 36 HA LEU 36 -6.038 2.757 -4.057 227 HB2 LEU 36 HB2 LEU 36 -4.082 2.462 -6.336 228 HB3 LEU 36 HB3 LEU 36 -5.492 3.502 -6.381 229 HG LEU 36 HG LEU 36 -3.154 3.813 -4.487 230 HD11 LEU 36 HD11 LEU 36 -2.554 4.356 -6.785 231 HD12 LEU 36 HD12 LEU 36 -2.655 5.816 -5.794 232 HD13 LEU 36 HD13 LEU 36 -3.959 5.416 -6.911 233 HD21 LEU 36 HD21 LEU 36 -5.588 5.533 -4.945 234 HD22 LEU 36 HD22 LEU 36 -4.201 5.960 -3.947 235 HD23 LEU 36 HD23 LEU 36 -5.221 4.602 -3.491 236 H1 MAN 101 H1 MAN 101 8.945 -5.690 9.634 237 H2 MAN 101 H2 MAN 101 7.316 -4.913 11.569 238 H3 MAN 101 H3 MAN 101 7.888 -3.114 12.792 239 H4 MAN 101 H4 MAN 101 8.592 -1.148 11.368 240 H5 MAN 101 H5 MAN 101 8.714 -2.045 8.766 241 H61 MAN 101 H61 MAN 101 11.122 -1.725 8.842 242 H62 MAN 101 H62 MAN 101 11.138 -1.837 10.618 243 HO2 MAN 101 HO2 MAN 101 9.113 -6.367 11.705 244 HO3 MAN 101 HO3 MAN 101 9.947 -3.988 12.970 245 HO4 MAN 101 HO4 MAN 101 6.762 -2.964 10.128 246 HO6 MAN 101 HO6 MAN 101 9.715 0.122 9.060 Start of MODEL 8 1 H1 THR 1 H1 THR 1 -6.084 -7.279 6.650 2 H2 THR 1 H2 THR 1 -4.422 -7.468 6.450 3 H3 THR 1 H3 THR 1 -5.510 -8.698 5.967 4 HA THR 1 HA THR 1 -4.700 -7.468 4.089 5 HB THR 1 HB THR 1 -7.631 -7.001 4.701 6 HG1 THR 1 HG1 THR 1 -7.142 -9.345 3.461 7 HG21 THR 1 HG21 THR 1 -6.836 -6.102 2.565 8 HG22 THR 1 HG22 THR 1 -7.882 -7.501 2.301 9 HG23 THR 1 HG23 THR 1 -6.134 -7.666 2.164 10 H GLN 2 H GLN 2 -4.123 -5.464 3.306 11 HA GLN 2 HA GLN 2 -4.374 -3.282 5.181 12 HB2 GLN 2 HB2 GLN 2 -2.272 -4.179 3.779 13 HB3 GLN 2 HB3 GLN 2 -2.877 -3.039 2.601 14 HG2 GLN 2 HG2 GLN 2 -2.243 -2.294 5.457 15 HG3 GLN 2 HG3 GLN 2 -1.076 -2.173 4.148 16 HE21 GLN 2 HE21 GLN 2 -2.932 -1.271 2.194 17 HE22 GLN 2 HE22 GLN 2 -3.411 0.313 2.618 18 H SER 3 H SER 3 -5.475 -1.442 4.800 19 HA SER 3 HA SER 3 -7.732 -1.641 3.121 20 HB2 SER 3 HB2 SER 3 -6.833 0.631 4.879 21 HB3 SER 3 HB3 SER 3 -8.454 0.390 4.224 22 HG SER 3 HG SER 3 -8.680 -0.553 6.075 23 H HIS 4 H HIS 4 -8.543 0.075 1.810 24 HA HIS 4 HA HIS 4 -6.905 0.826 -0.353 25 HB2 HIS 4 HB2 HIS 4 -9.468 0.471 -0.246 26 HB3 HIS 4 HB3 HIS 4 -9.544 2.094 0.410 27 HD1 HIS 4 HD1 HIS 4 -11.008 2.700 -1.738 28 HD2 HIS 4 HD2 HIS 4 -7.085 1.623 -2.519 29 HE1 HIS 4 HE1 HIS 4 -10.631 3.234 -4.146 30 HE2 HIS 4 HE2 HIS 4 -8.428 2.062 -4.604 31 H TYR 5 H TYR 5 -5.772 2.708 -0.723 32 HA TYR 5 HA TYR 5 -4.780 4.649 -0.438 33 HB2 TYR 5 HB2 TYR 5 -7.116 5.337 1.353 34 HB3 TYR 5 HB3 TYR 5 -5.845 6.477 0.930 35 HD1 TYR 5 HD1 TYR 5 -8.970 5.077 -0.013 36 HD2 TYR 5 HD2 TYR 5 -5.491 6.952 -1.567 37 HE1 TYR 5 HE1 TYR 5 -10.204 5.671 -2.046 38 HE2 TYR 5 HE2 TYR 5 -6.718 7.557 -3.607 39 HH TYR 5 HH TYR 5 -10.066 7.363 -3.779 40 H GLY 6 H GLY 6 -4.460 2.340 1.475 41 HA2 GLY 6 HA2 GLY 6 -2.952 3.852 3.482 42 HA3 GLY 6 HA3 GLY 6 -3.501 2.187 3.695 43 H GLN 7 H GLN 7 -0.879 2.811 4.154 44 HA GLN 7 HA GLN 7 0.729 2.335 1.826 45 HB2 GLN 7 HB2 GLN 7 1.557 3.682 3.737 46 HB3 GLN 7 HB3 GLN 7 1.525 2.244 4.743 47 HG2 GLN 7 HG2 GLN 7 3.207 1.199 3.295 48 HG3 GLN 7 HG3 GLN 7 3.253 2.649 2.298 49 HE21 GLN 7 HE21 GLN 7 5.497 3.040 2.743 50 HE22 GLN 7 HE22 GLN 7 5.994 3.512 4.301 51 H CYS 8 H CYS 8 0.820 0.481 0.904 52 HA CYS 8 HA CYS 8 0.133 -1.971 2.303 53 HB2 CYS 8 HB2 CYS 8 0.298 -2.921 -0.027 54 HB3 CYS 8 HB3 CYS 8 -0.946 -1.703 0.258 55 H GLY 9 H GLY 9 2.998 -0.542 0.878 56 HA2 GLY 9 HA2 GLY 9 4.752 -2.200 2.252 57 HA3 GLY 9 HA3 GLY 9 4.435 -2.981 0.712 58 H GLY 10 H GLY 10 5.489 0.013 2.168 59 HA2 GLY 10 HA2 GLY 10 6.974 0.613 -0.289 60 HA3 GLY 10 HA3 GLY 10 6.631 1.759 1.012 61 H ILE 11 H ILE 11 9.149 1.805 0.433 62 HA ILE 11 HA ILE 11 10.785 -0.213 1.518 63 HB ILE 11 HB ILE 11 11.441 2.740 1.199 64 HG12 ILE 11 HG12 ILE 11 11.954 0.416 -0.678 65 HG13 ILE 11 HG13 ILE 11 10.725 1.651 -0.908 66 HG21 ILE 11 HG21 ILE 11 13.787 2.006 1.175 67 HG22 ILE 11 HG22 ILE 11 13.270 0.350 1.489 68 HG23 ILE 11 HG23 ILE 11 12.992 1.605 2.701 69 HD11 ILE 11 HD11 ILE 11 12.669 2.063 -2.298 70 HD12 ILE 11 HD12 ILE 11 13.703 2.094 -0.870 71 HD13 ILE 11 HD13 ILE 11 12.481 3.346 -1.102 72 H GLY 12 H GLY 12 10.800 -0.838 3.559 73 HA2 GLY 12 HA2 GLY 12 11.522 -0.347 5.801 74 HA3 GLY 12 HA3 GLY 12 10.750 1.229 5.651 75 H TYR 13 H TYR 13 8.487 -0.364 4.241 76 HA TYR 13 HA TYR 13 7.022 -0.744 6.710 77 HB2 TYR 13 HB2 TYR 13 6.014 0.512 4.787 78 HB3 TYR 13 HB3 TYR 13 6.011 -0.976 3.858 79 HD1 TYR 13 HD1 TYR 13 4.342 -2.737 4.340 80 HD2 TYR 13 HD2 TYR 13 4.463 0.847 6.630 81 HE1 TYR 13 HE1 TYR 13 2.120 -3.253 5.250 82 HE2 TYR 13 HE2 TYR 13 2.247 0.345 7.552 83 HH TYR 13 HH TYR 13 0.258 -0.965 6.745 84 H SER 14 H SER 14 6.296 -2.628 7.456 85 HA SER 14 HA SER 14 6.726 -5.077 5.946 86 HB2 SER 14 HB2 SER 14 7.738 -6.060 8.025 87 HB3 SER 14 HB3 SER 14 8.734 -4.790 7.303 88 H GLY 15 H GLY 15 4.898 -6.354 6.177 89 HA2 GLY 15 HA2 GLY 15 3.497 -7.144 8.224 90 HA3 GLY 15 HA3 GLY 15 2.987 -5.461 8.178 91 HA PRO 16 HA PRO 16 -0.175 -7.345 5.594 92 HB2 PRO 16 HB2 PRO 16 -1.425 -4.696 5.640 93 HB3 PRO 16 HB3 PRO 16 -2.050 -6.227 6.255 94 HG2 PRO 16 HG2 PRO 16 -1.264 -4.237 7.887 95 HG3 PRO 16 HG3 PRO 16 -1.071 -5.948 8.317 96 HD2 PRO 16 HD2 PRO 16 0.966 -4.017 7.274 97 HD3 PRO 16 HD3 PRO 16 1.094 -5.238 8.564 98 H THR 17 H THR 17 0.932 -7.545 3.669 99 HA THR 17 HA THR 17 1.340 -5.175 2.063 100 HB THR 17 HB THR 17 2.533 -6.925 0.577 101 HG1 THR 17 HG1 THR 17 3.184 -8.529 2.564 102 HG21 THR 17 HG21 THR 17 3.548 -6.316 3.362 103 HG22 THR 17 HG22 THR 17 3.705 -5.259 1.964 104 HG23 THR 17 HG23 THR 17 4.549 -6.812 1.996 105 H VAL 18 H VAL 18 -0.853 -7.743 2.391 106 HA VAL 18 HA VAL 18 -1.739 -7.693 -0.367 107 HB VAL 18 HB VAL 18 -2.947 -9.108 2.040 108 HG11 VAL 18 HG11 VAL 18 -3.535 -9.463 -0.898 109 HG12 VAL 18 HG12 VAL 18 -4.608 -8.728 0.291 110 HG13 VAL 18 HG13 VAL 18 -4.204 -10.442 0.409 111 HG21 VAL 18 HG21 VAL 18 -1.192 -10.184 -0.166 112 HG22 VAL 18 HG22 VAL 18 -1.954 -11.151 1.095 113 HG23 VAL 18 HG23 VAL 18 -0.721 -9.962 1.517 114 H CYS 19 H CYS 19 -3.136 -6.252 -1.090 115 HA CYS 19 HA CYS 19 -4.458 -4.462 0.735 116 HB2 CYS 19 HB2 CYS 19 -4.419 -4.548 -2.289 117 HB3 CYS 19 HB3 CYS 19 -5.117 -3.265 -1.316 118 H ALA 20 H ALA 20 -6.783 -3.885 0.231 119 HA ALA 20 HA ALA 20 -8.403 -6.162 0.633 120 HB1 ALA 20 HB1 ALA 20 -9.241 -3.334 -0.002 121 HB2 ALA 20 HB2 ALA 20 -8.895 -3.966 1.609 122 HB3 ALA 20 HB3 ALA 20 -10.260 -4.598 0.690 123 H SER 21 H SER 21 -10.449 -6.520 -0.620 124 HA SER 21 HA SER 21 -9.943 -7.550 -3.091 125 HB2 SER 21 HB2 SER 21 -12.605 -6.634 -2.011 126 HB3 SER 21 HB3 SER 21 -12.313 -7.925 -3.183 127 HG SER 21 HG SER 21 -12.626 -8.603 -0.929 128 H GLY 22 H GLY 22 -9.380 -6.464 -4.876 129 HA2 GLY 22 HA2 GLY 22 -10.083 -5.291 -6.787 130 HA3 GLY 22 HA3 GLY 22 -11.148 -4.327 -5.778 131 H THR 23 H THR 23 -8.262 -4.484 -4.171 132 HA THR 23 HA THR 23 -7.462 -1.977 -5.451 133 HB THR 23 HB THR 23 -6.591 -1.186 -3.276 134 HG1 THR 23 HG1 THR 23 -7.436 -3.752 -2.467 135 HG21 THR 23 HG21 THR 23 -8.746 -0.875 -2.146 136 HG22 THR 23 HG22 THR 23 -9.446 -2.123 -3.186 137 HG23 THR 23 HG23 THR 23 -8.867 -0.613 -3.885 138 H THR 24 H THR 24 -5.350 -1.561 -5.824 139 HA THR 24 HA THR 24 -3.633 -3.920 -5.636 140 HB THR 24 HB THR 24 -2.484 -2.932 -7.657 141 HG1 THR 24 HG1 THR 24 -4.685 -1.169 -7.455 142 HG21 THR 24 HG21 THR 24 -4.159 -3.853 -9.235 143 HG22 THR 24 HG22 THR 24 -5.346 -3.852 -7.930 144 HG23 THR 24 HG23 THR 24 -3.927 -4.890 -7.827 145 H CYS 25 H CYS 25 -1.509 -3.644 -5.019 146 HA CYS 25 HA CYS 25 -0.978 -1.254 -3.493 147 HB2 CYS 25 HB2 CYS 25 -0.370 -3.466 -2.588 148 HB3 CYS 25 HB3 CYS 25 0.684 -3.742 -3.969 149 H GLN 26 H GLN 26 -0.243 0.484 -4.562 150 HA GLN 26 HA GLN 26 1.685 0.022 -6.729 151 HB2 GLN 26 HB2 GLN 26 -0.357 2.232 -6.518 152 HB3 GLN 26 HB3 GLN 26 0.795 2.011 -7.824 153 HG2 GLN 26 HG2 GLN 26 -0.280 -0.089 -8.427 154 HG3 GLN 26 HG3 GLN 26 -1.426 0.119 -7.103 155 HE21 GLN 26 HE21 GLN 26 -3.185 0.154 -8.411 156 HE22 GLN 26 HE22 GLN 26 -3.546 1.462 -9.468 157 H VAL 27 H VAL 27 3.467 1.268 -6.687 158 HA VAL 27 HA VAL 27 4.152 2.541 -4.234 159 HB VAL 27 HB VAL 27 5.613 2.567 -6.899 160 HG11 VAL 27 HG11 VAL 27 6.640 3.124 -4.122 161 HG12 VAL 27 HG12 VAL 27 6.349 4.325 -5.376 162 HG13 VAL 27 HG13 VAL 27 7.602 3.105 -5.602 163 HG21 VAL 27 HG21 VAL 27 5.270 0.282 -6.110 164 HG22 VAL 27 HG22 VAL 27 5.959 0.711 -4.544 165 HG23 VAL 27 HG23 VAL 27 6.967 0.736 -5.989 166 H LEU 28 H LEU 28 3.668 4.615 -3.746 167 HA LEU 28 HA LEU 28 2.716 6.333 -5.925 168 HB2 LEU 28 HB2 LEU 28 1.394 5.825 -3.713 169 HB3 LEU 28 HB3 LEU 28 2.520 6.942 -2.982 170 HG LEU 28 HG LEU 28 0.593 7.665 -5.209 171 HD11 LEU 28 HD11 LEU 28 -0.610 7.093 -3.192 172 HD12 LEU 28 HD12 LEU 28 -0.678 8.831 -3.485 173 HD13 LEU 28 HD13 LEU 28 0.405 8.187 -2.254 174 HD21 LEU 28 HD21 LEU 28 1.109 9.987 -4.634 175 HD22 LEU 28 HD22 LEU 28 2.575 9.131 -5.119 176 HD23 LEU 28 HD23 LEU 28 2.259 9.439 -3.416 177 H ASN 29 H ASN 29 4.930 6.211 -3.192 178 HA ASN 29 HA ASN 29 6.646 8.194 -4.483 179 HB2 ASN 29 HB2 ASN 29 6.013 8.143 -1.496 180 HB3 ASN 29 HB3 ASN 29 7.178 9.192 -2.278 181 HD21 ASN 29 HD21 ASN 29 3.964 8.788 -1.307 182 HD22 ASN 29 HD22 ASN 29 3.356 10.253 -1.968 183 HA PRO 30 HA PRO 30 9.997 5.361 -3.780 184 HB2 PRO 30 HB2 PRO 30 11.066 7.165 -1.635 185 HB3 PRO 30 HB3 PRO 30 11.933 6.355 -2.945 186 HG2 PRO 30 HG2 PRO 30 11.350 8.903 -3.193 187 HG3 PRO 30 HG3 PRO 30 11.095 7.817 -4.570 188 HD2 PRO 30 HD2 PRO 30 9.109 9.010 -2.707 189 HD3 PRO 30 HD3 PRO 30 8.952 8.699 -4.447 190 H TYR 31 H TYR 31 8.892 6.660 -0.626 191 HA TYR 31 HA TYR 31 9.279 3.970 0.495 192 HB2 TYR 31 HB2 TYR 31 8.766 6.615 1.863 193 HB3 TYR 31 HB3 TYR 31 8.895 5.078 2.697 194 HD1 TYR 31 HD1 TYR 31 10.782 7.528 0.653 195 HD2 TYR 31 HD2 TYR 31 10.998 4.188 3.269 196 HE1 TYR 31 HE1 TYR 31 13.205 7.858 0.871 197 HE2 TYR 31 HE2 TYR 31 13.419 4.513 3.487 198 HH TYR 31 HH TYR 31 15.215 5.515 2.282 199 H TYR 32 H TYR 32 6.814 6.196 -0.441 200 HA TYR 32 HA TYR 32 4.871 4.733 1.159 201 HB2 TYR 32 HB2 TYR 32 4.824 7.282 1.106 202 HB3 TYR 32 HB3 TYR 32 4.301 7.124 -0.556 203 HD1 TYR 32 HD1 TYR 32 2.056 7.054 -1.036 204 HD2 TYR 32 HD2 TYR 32 3.358 5.899 2.835 205 HE1 TYR 32 HE1 TYR 32 -0.273 6.783 -0.334 206 HE2 TYR 32 HE2 TYR 32 1.018 5.635 3.549 207 HH TYR 32 HH TYR 32 -1.180 6.358 2.929 208 H SER 33 H SER 33 4.031 2.961 0.304 209 HA SER 33 HA SER 33 3.187 3.046 -2.506 210 HB2 SER 33 HB2 SER 33 3.652 0.618 -0.732 211 HB3 SER 33 HB3 SER 33 3.220 0.596 -2.445 212 HG SER 33 HG SER 33 5.329 0.411 -2.550 213 H GLN 34 H GLN 34 0.984 2.670 -2.877 214 HA GLN 34 HA GLN 34 -0.635 2.520 -0.442 215 HB2 GLN 34 HB2 GLN 34 -0.373 4.847 -1.108 216 HB3 GLN 34 HB3 GLN 34 -0.945 4.469 -2.722 217 HG2 GLN 34 HG2 GLN 34 -3.124 3.939 -1.871 218 HG3 GLN 34 HG3 GLN 34 -2.561 4.159 -0.214 219 HE21 GLN 34 HE21 GLN 34 -2.231 6.231 0.562 220 HE22 GLN 34 HE22 GLN 34 -2.832 7.621 -0.248 221 H CYS 35 H CYS 35 -2.522 1.372 -0.629 222 HA CYS 35 HA CYS 35 -2.914 -0.235 -2.952 223 HB2 CYS 35 HB2 CYS 35 -4.770 0.145 -0.596 224 HB3 CYS 35 HB3 CYS 35 -4.807 -1.124 -1.789 225 H LEU 36 H LEU 36 -3.869 0.461 -4.686 226 HA LEU 36 HA LEU 36 -5.988 2.465 -4.516 227 HB2 LEU 36 HB2 LEU 36 -3.991 1.960 -6.728 228 HB3 LEU 36 HB3 LEU 36 -5.336 3.075 -6.840 229 HG LEU 36 HG LEU 36 -3.030 3.340 -4.902 230 HD11 LEU 36 HD11 LEU 36 -2.332 3.707 -7.213 231 HD12 LEU 36 HD12 LEU 36 -2.338 5.214 -6.295 232 HD13 LEU 36 HD13 LEU 36 -3.647 4.865 -7.425 233 HD21 LEU 36 HD21 LEU 36 -3.951 5.576 -4.492 234 HD22 LEU 36 HD22 LEU 36 -5.084 4.314 -4.029 235 HD23 LEU 36 HD23 LEU 36 -5.321 5.203 -5.536 236 H1 MAN 101 H1 MAN 101 9.005 -5.551 10.027 237 H2 MAN 101 H2 MAN 101 7.894 -2.986 11.127 238 H3 MAN 101 H3 MAN 101 9.547 -2.879 12.855 239 H4 MAN 101 H4 MAN 101 11.673 -2.467 11.183 240 H5 MAN 101 H5 MAN 101 9.324 -1.997 9.315 241 H61 MAN 101 H61 MAN 101 11.522 -0.994 8.813 242 H62 MAN 101 H62 MAN 101 10.989 -2.135 7.572 243 HO2 MAN 101 HO2 MAN 101 8.665 -5.532 12.133 244 HO3 MAN 101 HO3 MAN 101 10.946 -4.885 11.389 245 HO4 MAN 101 HO4 MAN 101 10.731 -0.412 10.884 246 HO6 MAN 101 HO6 MAN 101 12.295 -3.697 9.093 Start of MODEL 9 1 H1 THR 1 H1 THR 1 -7.863 -7.070 6.536 2 H2 THR 1 H2 THR 1 -6.286 -7.537 6.946 3 H3 THR 1 H3 THR 1 -7.335 -8.630 6.176 4 HA THR 1 HA THR 1 -5.712 -7.770 4.661 5 HB THR 1 HB THR 1 -8.465 -6.682 4.029 6 HG1 THR 1 HG1 THR 1 -9.218 -8.725 3.924 7 HG21 THR 1 HG21 THR 1 -6.429 -8.236 2.428 8 HG22 THR 1 HG22 THR 1 -6.734 -6.500 2.300 9 HG23 THR 1 HG23 THR 1 -7.982 -7.657 1.834 10 H GLN 2 H GLN 2 -4.897 -5.816 3.528 11 HA GLN 2 HA GLN 2 -4.921 -3.524 5.270 12 HB2 GLN 2 HB2 GLN 2 -2.955 -4.678 3.901 13 HB3 GLN 2 HB3 GLN 2 -3.545 -3.664 2.602 14 HG2 GLN 2 HG2 GLN 2 -2.526 -2.710 5.270 15 HG3 GLN 2 HG3 GLN 2 -1.624 -2.682 3.766 16 HE21 GLN 2 HE21 GLN 2 -2.389 -1.328 2.128 17 HE22 GLN 2 HE22 GLN 2 -3.296 0.090 2.495 18 H SER 3 H SER 3 -5.876 -1.584 4.786 19 HA SER 3 HA SER 3 -8.207 -1.725 3.134 20 HB2 SER 3 HB2 SER 3 -7.171 0.546 4.828 21 HB3 SER 3 HB3 SER 3 -8.804 0.358 4.190 22 HG SER 3 HG SER 3 -8.596 -0.290 6.363 23 H HIS 4 H HIS 4 -8.875 -0.009 1.721 24 HA HIS 4 HA HIS 4 -7.065 0.695 -0.335 25 HB2 HIS 4 HB2 HIS 4 -9.586 0.367 -0.512 26 HB3 HIS 4 HB3 HIS 4 -9.755 1.881 0.344 27 HD1 HIS 4 HD1 HIS 4 -11.209 2.419 -1.866 28 HD2 HIS 4 HD2 HIS 4 -7.107 2.200 -2.395 29 HE1 HIS 4 HE1 HIS 4 -10.753 3.499 -4.075 30 HE2 HIS 4 HE2 HIS 4 -8.368 2.965 -4.511 31 H TYR 5 H TYR 5 -5.892 2.523 -0.577 32 HA TYR 5 HA TYR 5 -4.937 4.500 -0.299 33 HB2 TYR 5 HB2 TYR 5 -7.125 5.165 1.678 34 HB3 TYR 5 HB3 TYR 5 -5.890 6.288 1.143 35 HD1 TYR 5 HD1 TYR 5 -5.789 6.671 -1.462 36 HD2 TYR 5 HD2 TYR 5 -9.153 5.114 0.611 37 HE1 TYR 5 HE1 TYR 5 -7.256 7.375 -3.310 38 HE2 TYR 5 HE2 TYR 5 -10.618 5.808 -1.224 39 HH TYR 5 HH TYR 5 -10.610 7.473 -3.010 40 H GLY 6 H GLY 6 -4.905 2.125 1.799 41 HA2 GLY 6 HA2 GLY 6 -3.308 3.509 3.807 42 HA3 GLY 6 HA3 GLY 6 -3.760 1.802 3.829 43 H GLN 7 H GLN 7 -1.154 2.584 4.337 44 HA GLN 7 HA GLN 7 0.322 2.294 1.896 45 HB2 GLN 7 HB2 GLN 7 1.203 3.687 3.719 46 HB3 GLN 7 HB3 GLN 7 1.246 2.284 4.774 47 HG2 GLN 7 HG2 GLN 7 2.922 1.249 3.322 48 HG3 GLN 7 HG3 GLN 7 2.875 2.659 2.267 49 HE21 GLN 7 HE21 GLN 7 5.155 3.087 2.669 50 HE22 GLN 7 HE22 GLN 7 5.596 3.701 4.198 51 H CYS 8 H CYS 8 0.625 0.463 0.967 52 HA CYS 8 HA CYS 8 -0.044 -2.031 2.248 53 HB2 CYS 8 HB2 CYS 8 0.591 -2.943 -0.044 54 HB3 CYS 8 HB3 CYS 8 -0.792 -1.856 0.044 55 H GLY 9 H GLY 9 2.870 -0.565 0.894 56 HA2 GLY 9 HA2 GLY 9 4.642 -1.561 2.681 57 HA3 GLY 9 HA3 GLY 9 4.442 -2.862 1.509 58 H GLY 10 H GLY 10 5.761 0.214 2.138 59 HA2 GLY 10 HA2 GLY 10 6.977 0.219 -0.536 60 HA3 GLY 10 HA3 GLY 10 6.782 1.649 0.483 61 H ILE 11 H ILE 11 9.207 1.658 -0.046 62 HA ILE 11 HA ILE 11 10.895 -0.183 1.252 63 HB ILE 11 HB ILE 11 11.436 2.749 0.646 64 HG12 ILE 11 HG12 ILE 11 12.078 0.300 -1.016 65 HG13 ILE 11 HG13 ILE 11 10.770 1.427 -1.348 66 HG21 ILE 11 HG21 ILE 11 13.340 0.462 1.166 67 HG22 ILE 11 HG22 ILE 11 13.030 1.830 2.236 68 HG23 ILE 11 HG23 ILE 11 13.801 2.091 0.672 69 HD11 ILE 11 HD11 ILE 11 12.691 1.865 -2.767 70 HD12 ILE 11 HD12 ILE 11 13.704 2.085 -1.339 71 HD13 ILE 11 HD13 ILE 11 12.394 3.218 -1.673 72 H GLY 12 H GLY 12 11.119 -0.502 3.379 73 HA2 GLY 12 HA2 GLY 12 11.724 0.314 5.533 74 HA3 GLY 12 HA3 GLY 12 10.897 1.818 5.154 75 H TYR 13 H TYR 13 8.789 -0.249 3.998 76 HA TYR 13 HA TYR 13 7.318 -0.390 6.527 77 HB2 TYR 13 HB2 TYR 13 6.204 0.733 4.618 78 HB3 TYR 13 HB3 TYR 13 6.350 -0.728 3.665 79 HD1 TYR 13 HD1 TYR 13 4.345 1.105 5.952 80 HD2 TYR 13 HD2 TYR 13 5.030 -2.831 4.532 81 HE1 TYR 13 HE1 TYR 13 2.130 0.423 6.773 82 HE2 TYR 13 HE2 TYR 13 2.815 -3.520 5.352 83 HH TYR 13 HH TYR 13 0.457 -1.387 6.134 84 H SER 14 H SER 14 6.780 -2.322 7.392 85 HA SER 14 HA SER 14 7.188 -4.724 5.809 86 HB2 SER 14 HB2 SER 14 8.253 -4.362 8.597 87 HB3 SER 14 HB3 SER 14 8.500 -5.767 7.561 88 H GLY 15 H GLY 15 5.105 -5.488 5.849 89 HA2 GLY 15 HA2 GLY 15 3.938 -6.376 8.205 90 HA3 GLY 15 HA3 GLY 15 3.251 -4.800 7.808 91 HA PRO 16 HA PRO 16 0.742 -7.851 5.541 92 HB2 PRO 16 HB2 PRO 16 -1.508 -6.081 5.913 93 HB3 PRO 16 HB3 PRO 16 -1.250 -7.677 6.614 94 HG2 PRO 16 HG2 PRO 16 -1.242 -5.343 8.065 95 HG3 PRO 16 HG3 PRO 16 -0.400 -6.817 8.558 96 HD2 PRO 16 HD2 PRO 16 0.684 -4.358 7.257 97 HD3 PRO 16 HD3 PRO 16 1.400 -5.379 8.530 98 H THR 17 H THR 17 1.441 -7.549 3.505 99 HA THR 17 HA THR 17 1.101 -5.052 2.147 100 HB THR 17 HB THR 17 2.096 -6.469 0.247 101 HG1 THR 17 HG1 THR 17 2.738 -8.442 0.740 102 HG21 THR 17 HG21 THR 17 3.648 -6.130 2.825 103 HG22 THR 17 HG22 THR 17 3.379 -4.868 1.625 104 HG23 THR 17 HG23 THR 17 4.336 -6.289 1.206 105 H VAL 18 H VAL 18 -0.767 -7.830 2.572 106 HA VAL 18 HA VAL 18 -1.963 -8.029 -0.012 107 HB VAL 18 HB VAL 18 -3.110 -9.005 2.619 108 HG11 VAL 18 HG11 VAL 18 -4.751 -8.975 0.827 109 HG12 VAL 18 HG12 VAL 18 -4.325 -10.638 1.243 110 HG13 VAL 18 HG13 VAL 18 -3.661 -9.896 -0.210 111 HG21 VAL 18 HG21 VAL 18 -1.296 -10.438 0.679 112 HG22 VAL 18 HG22 VAL 18 -2.077 -11.175 2.078 113 HG23 VAL 18 HG23 VAL 18 -0.870 -9.907 2.306 114 H CYS 19 H CYS 19 -3.118 -6.436 -0.853 115 HA CYS 19 HA CYS 19 -4.551 -4.558 0.796 116 HB2 CYS 19 HB2 CYS 19 -4.345 -4.707 -2.242 117 HB3 CYS 19 HB3 CYS 19 -5.028 -3.393 -1.308 118 H ALA 20 H ALA 20 -6.780 -3.975 0.254 119 HA ALA 20 HA ALA 20 -8.586 -6.098 0.434 120 HB1 ALA 20 HB1 ALA 20 -9.064 -3.850 1.266 121 HB2 ALA 20 HB2 ALA 20 -10.308 -4.364 0.126 122 HB3 ALA 20 HB3 ALA 20 -9.060 -3.232 -0.386 123 H SER 21 H SER 21 -10.207 -6.759 -1.073 124 HA SER 21 HA SER 21 -9.206 -7.449 -3.566 125 HB2 SER 21 HB2 SER 21 -12.087 -7.395 -2.655 126 HB3 SER 21 HB3 SER 21 -11.411 -8.375 -3.958 127 HG SER 21 HG SER 21 -9.907 -8.941 -1.968 128 H GLY 22 H GLY 22 -8.956 -6.257 -5.297 129 HA2 GLY 22 HA2 GLY 22 -9.881 -4.960 -7.065 130 HA3 GLY 22 HA3 GLY 22 -10.940 -4.188 -5.895 131 H THR 23 H THR 23 -8.211 -4.209 -4.226 132 HA THR 23 HA THR 23 -7.376 -1.666 -5.402 133 HB THR 23 HB THR 23 -6.637 -0.946 -3.164 134 HG1 THR 23 HG1 THR 23 -7.263 -3.606 -2.514 135 HG21 THR 23 HG21 THR 23 -9.449 -2.033 -3.133 136 HG22 THR 23 HG22 THR 23 -8.937 -0.474 -3.787 137 HG23 THR 23 HG23 THR 23 -8.815 -0.792 -2.055 138 H THR 24 H THR 24 -5.261 -1.329 -5.829 139 HA THR 24 HA THR 24 -3.573 -3.705 -5.522 140 HB THR 24 HB THR 24 -2.429 -2.896 -7.626 141 HG1 THR 24 HG1 THR 24 -4.539 -1.012 -7.448 142 HG21 THR 24 HG21 THR 24 -4.020 -4.764 -7.665 143 HG22 THR 24 HG22 THR 24 -4.181 -3.792 -9.128 144 HG23 THR 24 HG23 THR 24 -5.359 -3.630 -7.828 145 H CYS 25 H CYS 25 -1.625 -3.473 -4.648 146 HA CYS 25 HA CYS 25 -0.843 -1.091 -3.352 147 HB2 CYS 25 HB2 CYS 25 -0.210 -3.334 -2.539 148 HB3 CYS 25 HB3 CYS 25 0.753 -3.590 -3.989 149 H GLN 26 H GLN 26 -0.175 0.669 -4.421 150 HA GLN 26 HA GLN 26 1.659 0.283 -6.658 151 HB2 GLN 26 HB2 GLN 26 -0.491 2.374 -6.367 152 HB3 GLN 26 HB3 GLN 26 0.720 2.370 -7.641 153 HG2 GLN 26 HG2 GLN 26 -0.106 0.160 -8.376 154 HG3 GLN 26 HG3 GLN 26 -1.366 0.259 -7.154 155 HE21 GLN 26 HE21 GLN 26 -2.982 0.144 -8.679 156 HE22 GLN 26 HE22 GLN 26 -3.322 1.462 -9.752 157 H VAL 27 H VAL 27 3.460 1.423 -6.714 158 HA VAL 27 HA VAL 27 4.342 2.661 -4.291 159 HB VAL 27 HB VAL 27 5.726 2.349 -6.979 160 HG11 VAL 27 HG11 VAL 27 6.786 4.066 -5.637 161 HG12 VAL 27 HG12 VAL 27 7.817 2.646 -5.758 162 HG13 VAL 27 HG13 VAL 27 6.909 2.950 -4.278 163 HG21 VAL 27 HG21 VAL 27 6.858 0.421 -5.994 164 HG22 VAL 27 HG22 VAL 27 5.110 0.187 -6.047 165 HG23 VAL 27 HG23 VAL 27 5.896 0.615 -4.529 166 H LEU 28 H LEU 28 3.509 4.670 -3.952 167 HA LEU 28 HA LEU 28 3.103 6.525 -6.161 168 HB2 LEU 28 HB2 LEU 28 2.810 6.997 -3.186 169 HB3 LEU 28 HB3 LEU 28 2.279 8.077 -4.454 170 HG LEU 28 HG LEU 28 1.102 5.385 -3.783 171 HD11 LEU 28 HD11 LEU 28 0.516 7.135 -2.214 172 HD12 LEU 28 HD12 LEU 28 -0.877 6.706 -3.210 173 HD13 LEU 28 HD13 LEU 28 0.022 8.183 -3.543 174 HD21 LEU 28 HD21 LEU 28 1.022 5.737 -6.183 175 HD22 LEU 28 HD22 LEU 28 0.338 7.347 -5.945 176 HD23 LEU 28 HD23 LEU 28 -0.587 5.912 -5.480 177 H ASN 29 H ASN 29 5.065 6.158 -3.327 178 HA ASN 29 HA ASN 29 7.090 7.976 -4.405 179 HB2 ASN 29 HB2 ASN 29 6.249 7.624 -1.503 180 HB3 ASN 29 HB3 ASN 29 7.608 8.590 -2.068 181 HD21 ASN 29 HD21 ASN 29 5.285 9.295 -0.467 182 HD22 ASN 29 HD22 ASN 29 4.497 10.585 -1.289 183 HA PRO 30 HA PRO 30 9.678 4.426 -3.794 184 HB2 PRO 30 HB2 PRO 30 11.400 5.914 -1.878 185 HB3 PRO 30 HB3 PRO 30 11.858 5.054 -3.350 186 HG2 PRO 30 HG2 PRO 30 11.792 7.698 -3.307 187 HG3 PRO 30 HG3 PRO 30 11.221 6.813 -4.733 188 HD2 PRO 30 HD2 PRO 30 9.653 8.149 -2.565 189 HD3 PRO 30 HD3 PRO 30 9.312 8.088 -4.300 190 H TYR 31 H TYR 31 9.061 6.203 -0.767 191 HA TYR 31 HA TYR 31 9.245 3.649 0.651 192 HB2 TYR 31 HB2 TYR 31 9.035 6.483 1.706 193 HB3 TYR 31 HB3 TYR 31 9.175 5.047 2.702 194 HD1 TYR 31 HD1 TYR 31 10.972 7.035 0.111 195 HD2 TYR 31 HD2 TYR 31 11.306 4.188 3.240 196 HE1 TYR 31 HE1 TYR 31 13.417 7.223 0.012 197 HE2 TYR 31 HE2 TYR 31 13.749 4.360 3.147 198 HH TYR 31 HH TYR 31 15.438 4.990 1.537 199 H TYR 32 H TYR 32 6.901 6.103 -0.289 200 HA TYR 32 HA TYR 32 4.900 4.695 1.262 201 HB2 TYR 32 HB2 TYR 32 4.971 7.219 1.292 202 HB3 TYR 32 HB3 TYR 32 4.406 7.181 -0.376 203 HD1 TYR 32 HD1 TYR 32 2.087 6.819 -0.869 204 HD2 TYR 32 HD2 TYR 32 3.541 6.259 3.086 205 HE1 TYR 32 HE1 TYR 32 -0.227 6.622 -0.044 206 HE2 TYR 32 HE2 TYR 32 1.238 6.052 3.916 207 HH TYR 32 HH TYR 32 -1.368 5.496 1.960 208 H SER 33 H SER 33 3.966 3.024 0.408 209 HA SER 33 HA SER 33 3.132 3.187 -2.390 210 HB2 SER 33 HB2 SER 33 3.769 0.679 -0.793 211 HB3 SER 33 HB3 SER 33 3.341 0.751 -2.505 212 HG SER 33 HG SER 33 5.511 0.717 -2.582 213 H GLN 34 H GLN 34 0.969 2.819 -2.732 214 HA GLN 34 HA GLN 34 -0.658 2.460 -0.304 215 HB2 GLN 34 HB2 GLN 34 -0.543 4.790 -0.780 216 HB3 GLN 34 HB3 GLN 34 -0.900 4.527 -2.479 217 HG2 GLN 34 HG2 GLN 34 -3.171 3.908 -1.923 218 HG3 GLN 34 HG3 GLN 34 -2.805 4.045 -0.199 219 HE21 GLN 34 HE21 GLN 34 -2.727 6.069 0.747 220 HE22 GLN 34 HE22 GLN 34 -3.135 7.505 -0.096 221 H CYS 35 H CYS 35 -2.519 1.260 -0.530 222 HA CYS 35 HA CYS 35 -2.836 -0.279 -2.915 223 HB2 CYS 35 HB2 CYS 35 -4.665 -0.061 -0.511 224 HB3 CYS 35 HB3 CYS 35 -4.693 -1.297 -1.754 225 H LEU 36 H LEU 36 -3.621 0.725 -4.622 226 HA LEU 36 HA LEU 36 -5.822 2.616 -4.350 227 HB2 LEU 36 HB2 LEU 36 -3.949 2.036 -6.653 228 HB3 LEU 36 HB3 LEU 36 -5.299 3.143 -6.734 229 HG LEU 36 HG LEU 36 -2.860 3.473 -4.981 230 HD11 LEU 36 HD11 LEU 36 -2.349 5.340 -6.489 231 HD12 LEU 36 HD12 LEU 36 -3.735 4.898 -7.487 232 HD13 LEU 36 HD13 LEU 36 -2.371 3.796 -7.338 233 HD21 LEU 36 HD21 LEU 36 -3.780 5.706 -4.542 234 HD22 LEU 36 HD22 LEU 36 -4.841 4.436 -3.946 235 HD23 LEU 36 HD23 LEU 36 -5.233 5.280 -5.444 236 H1 MAN 101 H1 MAN 101 10.882 -5.667 7.232 237 H2 MAN 101 H2 MAN 101 9.894 -4.532 9.533 238 H3 MAN 101 H3 MAN 101 11.311 -3.126 10.584 239 H4 MAN 101 H4 MAN 101 12.144 -1.320 9.010 240 H5 MAN 101 H5 MAN 101 11.222 -2.044 6.526 241 H61 MAN 101 H61 MAN 101 13.377 -0.924 7.049 242 H62 MAN 101 H62 MAN 101 13.520 -2.133 5.755 243 HO2 MAN 101 HO2 MAN 101 11.101 -6.496 9.239 244 HO3 MAN 101 HO3 MAN 101 12.976 -4.592 10.161 245 HO4 MAN 101 HO4 MAN 101 10.039 -0.996 8.067 246 HO6 MAN 101 HO6 MAN 101 13.905 -3.207 8.255 Start of MODEL 10 1 H1 THR 1 H1 THR 1 -5.410 -9.079 5.643 2 H2 THR 1 H2 THR 1 -6.048 -7.790 6.545 3 H3 THR 1 H3 THR 1 -4.395 -7.845 6.215 4 HA THR 1 HA THR 1 -4.870 -7.634 3.872 5 HB THR 1 HB THR 1 -7.724 -7.231 4.792 6 HG1 THR 1 HG1 THR 1 -7.786 -9.377 3.489 7 HG21 THR 1 HG21 THR 1 -7.085 -6.131 2.680 8 HG22 THR 1 HG22 THR 1 -8.216 -7.454 2.400 9 HG23 THR 1 HG23 THR 1 -6.499 -7.672 2.059 10 H GLN 2 H GLN 2 -4.162 -5.633 3.424 11 HA GLN 2 HA GLN 2 -4.676 -3.519 5.349 12 HB2 GLN 2 HB2 GLN 2 -2.350 -4.276 4.326 13 HB3 GLN 2 HB3 GLN 2 -2.828 -3.281 2.966 14 HG2 GLN 2 HG2 GLN 2 -2.674 -2.285 5.805 15 HG3 GLN 2 HG3 GLN 2 -1.327 -2.169 4.690 16 HE21 GLN 2 HE21 GLN 2 -3.014 -1.549 2.406 17 HE22 GLN 2 HE22 GLN 2 -3.620 0.033 2.656 18 H SER 3 H SER 3 -5.799 -1.624 4.763 19 HA SER 3 HA SER 3 -7.710 -2.146 2.693 20 HB2 SER 3 HB2 SER 3 -8.852 -0.182 3.862 21 HB3 SER 3 HB3 SER 3 -8.669 -1.704 4.738 22 HG SER 3 HG SER 3 -7.224 0.698 5.025 23 H HIS 4 H HIS 4 -8.716 -0.282 1.611 24 HA HIS 4 HA HIS 4 -7.068 0.931 -0.292 25 HB2 HIS 4 HB2 HIS 4 -9.510 0.403 -0.536 26 HB3 HIS 4 HB3 HIS 4 -9.861 1.702 0.574 27 HD1 HIS 4 HD1 HIS 4 -11.023 3.345 -0.857 28 HD2 HIS 4 HD2 HIS 4 -7.561 1.932 -2.625 29 HE1 HIS 4 HE1 HIS 4 -10.770 4.658 -2.980 30 HE2 HIS 4 HE2 HIS 4 -8.917 3.504 -4.175 31 H TYR 5 H TYR 5 -5.993 2.797 -0.332 32 HA TYR 5 HA TYR 5 -5.138 4.770 0.151 33 HB2 TYR 5 HB2 TYR 5 -7.548 5.100 1.897 34 HB3 TYR 5 HB3 TYR 5 -6.242 6.276 1.978 35 HD1 TYR 5 HD1 TYR 5 -5.511 7.182 -0.422 36 HD2 TYR 5 HD2 TYR 5 -9.305 5.522 0.495 37 HE1 TYR 5 HE1 TYR 5 -6.484 8.389 -2.328 38 HE2 TYR 5 HE2 TYR 5 -10.290 6.717 -1.413 39 HH TYR 5 HH TYR 5 -8.411 8.195 -3.814 40 H GLY 6 H GLY 6 -4.924 2.236 1.943 41 HA2 GLY 6 HA2 GLY 6 -3.339 3.512 4.039 42 HA3 GLY 6 HA3 GLY 6 -3.776 1.807 3.955 43 H GLN 7 H GLN 7 -1.157 2.742 4.409 44 HA GLN 7 HA GLN 7 0.315 2.605 1.963 45 HB2 GLN 7 HB2 GLN 7 1.115 3.939 3.900 46 HB3 GLN 7 HB3 GLN 7 1.245 2.472 4.848 47 HG2 GLN 7 HG2 GLN 7 3.006 1.650 3.381 48 HG3 GLN 7 HG3 GLN 7 2.856 3.092 2.380 49 HE21 GLN 7 HE21 GLN 7 5.062 3.696 2.780 50 HE22 GLN 7 HE22 GLN 7 5.532 4.294 4.303 51 H CYS 8 H CYS 8 0.597 0.775 0.951 52 HA CYS 8 HA CYS 8 -0.049 -1.736 2.215 53 HB2 CYS 8 HB2 CYS 8 0.291 -2.667 -0.065 54 HB3 CYS 8 HB3 CYS 8 -0.922 -1.398 0.048 55 H GLY 9 H GLY 9 2.835 -0.069 1.394 56 HA2 GLY 9 HA2 GLY 9 4.643 -1.224 2.815 57 HA3 GLY 9 HA3 GLY 9 4.296 -2.595 1.770 58 H GLY 10 H GLY 10 5.586 0.578 2.026 59 HA2 GLY 10 HA2 GLY 10 7.013 0.167 -0.491 60 HA3 GLY 10 HA3 GLY 10 6.859 1.708 0.364 61 H ILE 11 H ILE 11 9.289 1.590 0.144 62 HA ILE 11 HA ILE 11 10.690 -0.248 1.757 63 HB ILE 11 HB ILE 11 11.537 2.562 0.954 64 HG12 ILE 11 HG12 ILE 11 12.150 -0.100 -0.361 65 HG13 ILE 11 HG13 ILE 11 10.966 1.053 -0.949 66 HG21 ILE 11 HG21 ILE 11 13.180 0.203 1.915 67 HG22 ILE 11 HG22 ILE 11 12.868 1.688 2.817 68 HG23 ILE 11 HG23 ILE 11 13.833 1.740 1.344 69 HD11 ILE 11 HD11 ILE 11 12.731 2.676 -1.342 70 HD12 ILE 11 HD12 ILE 11 13.049 1.164 -2.195 71 HD13 ILE 11 HD13 ILE 11 13.918 1.541 -0.706 72 H GLY 12 H GLY 12 10.582 -0.456 3.842 73 HA2 GLY 12 HA2 GLY 12 11.097 0.524 6.009 74 HA3 GLY 12 HA3 GLY 12 10.168 1.934 5.517 75 H TYR 13 H TYR 13 8.124 0.135 4.235 76 HA TYR 13 HA TYR 13 6.768 -0.515 6.751 77 HB2 TYR 13 HB2 TYR 13 5.637 1.219 5.379 78 HB3 TYR 13 HB3 TYR 13 5.500 0.077 4.058 79 HD1 TYR 13 HD1 TYR 13 4.051 1.258 7.144 80 HD2 TYR 13 HD2 TYR 13 3.985 -1.997 4.401 81 HE1 TYR 13 HE1 TYR 13 1.884 0.512 8.056 82 HE2 TYR 13 HE2 TYR 13 1.848 -2.732 5.290 83 HH TYR 13 HH TYR 13 0.467 -2.514 7.174 84 H SER 14 H SER 14 6.739 -2.537 7.180 85 HA SER 14 HA SER 14 6.368 -4.496 5.050 86 HB2 SER 14 HB2 SER 14 8.286 -4.578 7.411 87 HB3 SER 14 HB3 SER 14 7.735 -6.056 6.633 88 H GLY 15 H GLY 15 5.314 -6.527 5.933 89 HA2 GLY 15 HA2 GLY 15 4.085 -7.460 7.813 90 HA3 GLY 15 HA3 GLY 15 3.587 -5.814 8.192 91 HA PRO 16 HA PRO 16 -0.069 -7.021 5.878 92 HB2 PRO 16 HB2 PRO 16 -0.847 -4.187 6.236 93 HB3 PRO 16 HB3 PRO 16 -1.707 -5.645 6.741 94 HG2 PRO 16 HG2 PRO 16 -0.514 -4.092 8.537 95 HG3 PRO 16 HG3 PRO 16 -0.465 -5.857 8.692 96 HD2 PRO 16 HD2 PRO 16 1.609 -3.997 7.597 97 HD3 PRO 16 HD3 PRO 16 1.809 -5.323 8.785 98 H THR 17 H THR 17 0.770 -7.268 3.877 99 HA THR 17 HA THR 17 1.259 -4.873 2.273 100 HB THR 17 HB THR 17 2.590 -6.549 0.849 101 HG1 THR 17 HG1 THR 17 2.677 -7.988 3.282 102 HG21 THR 17 HG21 THR 17 3.505 -5.925 3.671 103 HG22 THR 17 HG22 THR 17 3.642 -4.838 2.298 104 HG23 THR 17 HG23 THR 17 4.564 -6.345 2.324 105 H VAL 18 H VAL 18 -0.719 -7.623 2.627 106 HA VAL 18 HA VAL 18 -1.567 -7.775 -0.117 107 HB VAL 18 HB VAL 18 -2.750 -9.039 2.381 108 HG11 VAL 18 HG11 VAL 18 -3.284 -9.647 -0.521 109 HG12 VAL 18 HG12 VAL 18 -4.404 -8.876 0.597 110 HG13 VAL 18 HG13 VAL 18 -3.923 -10.558 0.848 111 HG21 VAL 18 HG21 VAL 18 -1.645 -11.093 1.634 112 HG22 VAL 18 HG22 VAL 18 -0.467 -9.808 1.923 113 HG23 VAL 18 HG23 VAL 18 -0.938 -10.223 0.274 114 H CYS 19 H CYS 19 -2.825 -6.254 -0.939 115 HA CYS 19 HA CYS 19 -4.480 -4.603 0.754 116 HB2 CYS 19 HB2 CYS 19 -4.198 -4.574 -2.279 117 HB3 CYS 19 HB3 CYS 19 -5.003 -3.360 -1.290 118 H ALA 20 H ALA 20 -6.774 -4.231 0.099 119 HA ALA 20 HA ALA 20 -8.193 -6.677 0.137 120 HB1 ALA 20 HB1 ALA 20 -9.177 -3.870 -0.323 121 HB2 ALA 20 HB2 ALA 20 -9.018 -4.666 1.241 122 HB3 ALA 20 HB3 ALA 20 -10.187 -5.263 0.060 123 H SER 21 H SER 21 -9.737 -7.435 -1.467 124 HA SER 21 HA SER 21 -8.743 -7.447 -4.056 125 HB2 SER 21 HB2 SER 21 -11.100 -8.492 -4.433 126 HB3 SER 21 HB3 SER 21 -9.940 -9.338 -3.404 127 HG SER 21 HG SER 21 -12.015 -9.175 -2.469 128 H GLY 22 H GLY 22 -8.922 -5.976 -5.584 129 HA2 GLY 22 HA2 GLY 22 -10.325 -4.590 -6.960 130 HA3 GLY 22 HA3 GLY 22 -11.203 -4.130 -5.505 131 H THR 23 H THR 23 -8.182 -4.211 -4.446 132 HA THR 23 HA THR 23 -7.559 -1.500 -5.370 133 HB THR 23 HB THR 23 -6.613 -0.983 -3.126 134 HG1 THR 23 HG1 THR 23 -7.377 -3.636 -2.634 135 HG21 THR 23 HG21 THR 23 -8.911 -0.323 -3.574 136 HG22 THR 23 HG22 THR 23 -8.715 -0.803 -1.886 137 HG23 THR 23 HG23 THR 23 -9.484 -1.901 -3.031 138 H THR 24 H THR 24 -5.311 -1.071 -5.623 139 HA THR 24 HA THR 24 -3.712 -3.526 -5.591 140 HB THR 24 HB THR 24 -2.503 -2.535 -7.558 141 HG1 THR 24 HG1 THR 24 -4.419 -0.541 -7.114 142 HG21 THR 24 HG21 THR 24 -4.184 -4.289 -7.837 143 HG22 THR 24 HG22 THR 24 -4.231 -3.147 -9.185 144 HG23 THR 24 HG23 THR 24 -5.442 -3.060 -7.905 145 H CYS 25 H CYS 25 -1.768 -3.410 -4.663 146 HA CYS 25 HA CYS 25 -0.993 -1.087 -3.236 147 HB2 CYS 25 HB2 CYS 25 -0.331 -3.337 -2.474 148 HB3 CYS 25 HB3 CYS 25 0.602 -3.567 -3.951 149 H GLN 26 H GLN 26 -0.538 0.668 -4.400 150 HA GLN 26 HA GLN 26 1.193 0.324 -6.703 151 HB2 GLN 26 HB2 GLN 26 -0.922 2.401 -6.150 152 HB3 GLN 26 HB3 GLN 26 0.274 2.578 -7.430 153 HG2 GLN 26 HG2 GLN 26 -0.513 0.509 -8.468 154 HG3 GLN 26 HG3 GLN 26 -1.704 0.318 -7.186 155 HE21 GLN 26 HE21 GLN 26 -3.569 1.509 -7.268 156 HE22 GLN 26 HE22 GLN 26 -4.030 2.486 -8.591 157 H VAL 27 H VAL 27 3.037 1.234 -6.788 158 HA VAL 27 HA VAL 27 4.124 2.475 -4.429 159 HB VAL 27 HB VAL 27 5.418 1.865 -7.110 160 HG11 VAL 27 HG11 VAL 27 7.556 2.040 -5.911 161 HG12 VAL 27 HG12 VAL 27 6.683 2.537 -4.460 162 HG13 VAL 27 HG13 VAL 27 6.657 3.559 -5.898 163 HG21 VAL 27 HG21 VAL 27 5.457 0.273 -4.547 164 HG22 VAL 27 HG22 VAL 27 6.381 -0.104 -6.002 165 HG23 VAL 27 HG23 VAL 27 4.619 -0.167 -6.034 166 H LEU 28 H LEU 28 3.782 4.558 -4.150 167 HA LEU 28 HA LEU 28 3.472 6.301 -6.483 168 HB2 LEU 28 HB2 LEU 28 2.835 6.761 -3.575 169 HB3 LEU 28 HB3 LEU 28 2.520 7.915 -4.856 170 HG LEU 28 HG LEU 28 1.232 5.187 -4.608 171 HD11 LEU 28 HD11 LEU 28 0.464 6.669 -2.874 172 HD12 LEU 28 HD12 LEU 28 -0.806 6.440 -4.072 173 HD13 LEU 28 HD13 LEU 28 0.134 7.936 -4.055 174 HD21 LEU 28 HD21 LEU 28 -0.259 5.983 -6.388 175 HD22 LEU 28 HD22 LEU 28 1.420 5.908 -6.928 176 HD23 LEU 28 HD23 LEU 28 0.694 7.461 -6.510 177 H ASN 29 H ASN 29 5.466 5.667 -3.728 178 HA ASN 29 HA ASN 29 7.566 7.365 -4.783 179 HB2 ASN 29 HB2 ASN 29 6.661 7.463 -1.854 180 HB3 ASN 29 HB3 ASN 29 8.133 8.155 -2.477 181 HD21 ASN 29 HD21 ASN 29 4.699 8.510 -2.277 182 HD22 ASN 29 HD22 ASN 29 4.639 10.131 -2.854 183 HA PRO 30 HA PRO 30 9.937 3.769 -3.749 184 HB2 PRO 30 HB2 PRO 30 11.629 5.348 -1.864 185 HB3 PRO 30 HB3 PRO 30 12.127 4.297 -3.195 186 HG2 PRO 30 HG2 PRO 30 12.230 6.926 -3.480 187 HG3 PRO 30 HG3 PRO 30 11.649 5.908 -4.812 188 HD2 PRO 30 HD2 PRO 30 10.094 7.585 -2.884 189 HD3 PRO 30 HD3 PRO 30 9.822 7.340 -4.621 190 H TYR 31 H TYR 31 9.248 5.790 -0.935 191 HA TYR 31 HA TYR 31 9.172 3.379 0.747 192 HB2 TYR 31 HB2 TYR 31 8.901 6.266 1.603 193 HB3 TYR 31 HB3 TYR 31 9.203 4.875 2.626 194 HD1 TYR 31 HD1 TYR 31 11.441 4.044 2.947 195 HD2 TYR 31 HD2 TYR 31 10.691 7.135 0.130 196 HE1 TYR 31 HE1 TYR 31 13.857 4.489 2.790 197 HE2 TYR 31 HE2 TYR 31 13.091 7.582 -0.039 198 HH TYR 31 HH TYR 31 15.400 5.474 1.076 199 H TYR 32 H TYR 32 7.144 5.833 -0.674 200 HA TYR 32 HA TYR 32 4.905 4.995 0.976 201 HB2 TYR 32 HB2 TYR 32 5.342 7.444 0.613 202 HB3 TYR 32 HB3 TYR 32 4.928 7.186 -1.077 203 HD1 TYR 32 HD1 TYR 32 3.516 6.672 2.324 204 HD2 TYR 32 HD2 TYR 32 2.753 7.513 -1.774 205 HE1 TYR 32 HE1 TYR 32 1.148 7.071 2.843 206 HE2 TYR 32 HE2 TYR 32 0.386 7.901 -1.255 207 HH TYR 32 HH TYR 32 -1.209 7.326 0.419 208 H SER 33 H SER 33 3.788 3.338 0.317 209 HA SER 33 HA SER 33 2.989 3.208 -2.483 210 HB2 SER 33 HB2 SER 33 3.691 0.837 -0.709 211 HB3 SER 33 HB3 SER 33 3.211 0.770 -2.405 212 HG SER 33 HG SER 33 5.424 0.664 -2.389 213 H GLN 34 H GLN 34 0.803 2.867 -2.653 214 HA GLN 34 HA GLN 34 -0.663 2.473 -0.137 215 HB2 GLN 34 HB2 GLN 34 -0.622 4.825 -0.412 216 HB3 GLN 34 HB3 GLN 34 -0.969 4.741 -2.120 217 HG2 GLN 34 HG2 GLN 34 -3.246 3.989 -1.605 218 HG3 GLN 34 HG3 GLN 34 -2.868 4.051 0.115 219 HE21 GLN 34 HE21 GLN 34 -2.825 6.022 1.152 220 HE22 GLN 34 HE22 GLN 34 -3.346 7.474 0.391 221 H CYS 35 H CYS 35 -2.605 1.322 -0.291 222 HA CYS 35 HA CYS 35 -3.031 -0.156 -2.689 223 HB2 CYS 35 HB2 CYS 35 -4.849 -0.004 -0.258 224 HB3 CYS 35 HB3 CYS 35 -4.842 -1.195 -1.530 225 H LEU 36 H LEU 36 -3.767 0.941 -4.324 226 HA LEU 36 HA LEU 36 -6.138 2.599 -3.991 227 HB2 LEU 36 HB2 LEU 36 -3.897 2.775 -5.999 228 HB3 LEU 36 HB3 LEU 36 -5.419 3.617 -6.192 229 HG LEU 36 HG LEU 36 -3.484 4.048 -3.910 230 HD11 LEU 36 HD11 LEU 36 -3.001 6.174 -5.014 231 HD12 LEU 36 HD12 LEU 36 -4.047 5.719 -6.358 232 HD13 LEU 36 HD13 LEU 36 -2.568 4.812 -6.047 233 HD21 LEU 36 HD21 LEU 36 -6.002 5.493 -4.732 234 HD22 LEU 36 HD22 LEU 36 -4.891 6.020 -3.473 235 HD23 LEU 36 HD23 LEU 36 -5.789 4.520 -3.275 236 H1 MAN 101 H1 MAN 101 8.269 -3.098 4.777 237 H2 MAN 101 H2 MAN 101 9.777 -4.206 3.130 238 H3 MAN 101 H3 MAN 101 11.628 -4.827 4.557 239 H4 MAN 101 H4 MAN 101 11.958 -1.821 5.003 240 H5 MAN 101 H5 MAN 101 11.059 -4.061 6.915 241 H61 MAN 101 H61 MAN 101 11.647 -1.099 7.265 242 H62 MAN 101 H62 MAN 101 12.351 -2.446 8.181 243 HO2 MAN 101 HO2 MAN 101 9.144 -1.982 3.068 244 HO3 MAN 101 HO3 MAN 101 13.304 -3.858 3.345 245 HO4 MAN 101 HO4 MAN 101 13.948 -2.993 4.979 246 HO6 MAN 101 HO6 MAN 101 9.737 -1.370 8.257 Start of MODEL 11 1 H1 THR 1 H1 THR 1 -4.647 -8.006 5.795 2 H2 THR 1 H2 THR 1 -5.912 -9.118 5.504 3 H3 THR 1 H3 THR 1 -6.176 -7.745 6.458 4 HA THR 1 HA THR 1 -5.503 -7.687 3.625 5 HB THR 1 HB THR 1 -8.161 -7.260 5.029 6 HG1 THR 1 HG1 THR 1 -7.450 -9.321 3.202 7 HG21 THR 1 HG21 THR 1 -7.885 -5.872 3.043 8 HG22 THR 1 HG22 THR 1 -9.055 -7.160 2.730 9 HG23 THR 1 HG23 THR 1 -7.404 -7.290 2.113 10 H GLN 2 H GLN 2 -4.590 -5.771 3.178 11 HA GLN 2 HA GLN 2 -4.684 -3.648 5.127 12 HB2 GLN 2 HB2 GLN 2 -2.723 -4.548 3.507 13 HB3 GLN 2 HB3 GLN 2 -3.402 -3.324 2.451 14 HG2 GLN 2 HG2 GLN 2 -2.280 -2.869 5.219 15 HG3 GLN 2 HG3 GLN 2 -1.493 -2.467 3.700 16 HE21 GLN 2 HE21 GLN 2 -2.396 -0.837 2.462 17 HE22 GLN 2 HE22 GLN 2 -3.388 0.388 3.167 18 H SER 3 H SER 3 -5.478 -1.553 4.619 19 HA SER 3 HA SER 3 -7.924 -1.697 3.096 20 HB2 SER 3 HB2 SER 3 -6.892 0.368 5.017 21 HB3 SER 3 HB3 SER 3 -8.542 0.266 4.384 22 HG SER 3 HG SER 3 -8.902 -1.490 5.540 23 H HIS 4 H HIS 4 -8.630 0.045 1.811 24 HA HIS 4 HA HIS 4 -6.929 0.945 -0.234 25 HB2 HIS 4 HB2 HIS 4 -9.392 0.608 -0.418 26 HB3 HIS 4 HB3 HIS 4 -9.638 1.980 0.642 27 HD1 HIS 4 HD1 HIS 4 -10.395 3.928 -0.629 28 HD2 HIS 4 HD2 HIS 4 -7.741 1.632 -2.836 29 HE1 HIS 4 HE1 HIS 4 -10.312 4.992 -2.895 30 HE2 HIS 4 HE2 HIS 4 -8.990 3.359 -4.269 31 H TYR 5 H TYR 5 -5.726 2.758 -0.427 32 HA TYR 5 HA TYR 5 -4.711 4.652 -0.031 33 HB2 TYR 5 HB2 TYR 5 -7.294 5.312 1.239 34 HB3 TYR 5 HB3 TYR 5 -5.930 6.351 1.671 35 HD1 TYR 5 HD1 TYR 5 -7.387 4.777 -1.377 36 HD2 TYR 5 HD2 TYR 5 -5.622 8.230 0.343 37 HE1 TYR 5 HE1 TYR 5 -7.628 5.945 -3.504 38 HE2 TYR 5 HE2 TYR 5 -5.858 9.422 -1.798 39 HH TYR 5 HH TYR 5 -6.091 8.899 -4.186 40 H GLY 6 H GLY 6 -4.685 2.345 2.013 41 HA2 GLY 6 HA2 GLY 6 -3.086 3.769 3.998 42 HA3 GLY 6 HA3 GLY 6 -3.547 2.067 4.075 43 H GLN 7 H GLN 7 -0.914 2.844 4.502 44 HA GLN 7 HA GLN 7 0.566 2.511 2.062 45 HB2 GLN 7 HB2 GLN 7 1.460 3.901 3.926 46 HB3 GLN 7 HB3 GLN 7 1.539 2.471 4.940 47 HG2 GLN 7 HG2 GLN 7 3.220 1.495 3.456 48 HG3 GLN 7 HG3 GLN 7 3.131 2.899 2.400 49 HE21 GLN 7 HE21 GLN 7 5.392 3.435 2.714 50 HE22 GLN 7 HE22 GLN 7 5.934 4.033 4.211 51 H CYS 8 H CYS 8 0.664 0.652 1.126 52 HA CYS 8 HA CYS 8 0.056 -1.785 2.535 53 HB2 CYS 8 HB2 CYS 8 0.312 -2.803 0.243 54 HB3 CYS 8 HB3 CYS 8 -0.946 -1.583 0.423 55 H GLY 9 H GLY 9 2.923 -0.353 1.092 56 HA2 GLY 9 HA2 GLY 9 4.737 -1.659 2.641 57 HA3 GLY 9 HA3 GLY 9 4.388 -2.805 1.357 58 H GLY 10 H GLY 10 5.619 0.349 2.099 59 HA2 GLY 10 HA2 GLY 10 7.096 0.283 -0.435 60 HA3 GLY 10 HA3 GLY 10 6.730 1.758 0.477 61 H ILE 11 H ILE 11 9.253 1.723 0.140 62 HA ILE 11 HA ILE 11 10.766 0.057 1.831 63 HB ILE 11 HB ILE 11 11.416 2.898 0.934 64 HG12 ILE 11 HG12 ILE 11 12.193 0.255 -0.320 65 HG13 ILE 11 HG13 ILE 11 10.924 1.311 -0.926 66 HG21 ILE 11 HG21 ILE 11 12.817 2.146 2.799 67 HG22 ILE 11 HG22 ILE 11 13.760 2.252 1.310 68 HG23 ILE 11 HG23 ILE 11 13.230 0.681 1.909 69 HD11 ILE 11 HD11 ILE 11 12.578 3.050 -1.362 70 HD12 ILE 11 HD12 ILE 11 12.980 1.553 -2.206 71 HD13 ILE 11 HD13 ILE 11 13.847 2.000 -0.737 72 H GLY 12 H GLY 12 10.888 0.004 3.982 73 HA2 GLY 12 HA2 GLY 12 11.102 1.085 6.095 74 HA3 GLY 12 HA3 GLY 12 10.121 2.412 5.483 75 H TYR 13 H TYR 13 8.541 -0.136 4.308 76 HA TYR 13 HA TYR 13 6.999 -0.598 6.771 77 HB2 TYR 13 HB2 TYR 13 5.855 0.946 5.135 78 HB3 TYR 13 HB3 TYR 13 5.875 -0.361 3.964 79 HD1 TYR 13 HD1 TYR 13 4.504 -2.494 4.520 80 HD2 TYR 13 HD2 TYR 13 4.131 1.133 6.708 81 HE1 TYR 13 HE1 TYR 13 2.309 -3.227 5.353 82 HE2 TYR 13 HE2 TYR 13 1.947 0.402 7.553 83 HH TYR 13 HH TYR 13 0.153 -1.136 6.709 84 H SER 14 H SER 14 6.530 -2.662 7.181 85 HA SER 14 HA SER 14 6.585 -4.705 5.169 86 HB2 SER 14 HB2 SER 14 8.490 -4.656 7.522 87 HB3 SER 14 HB3 SER 14 8.104 -6.129 6.638 88 H GLY 15 H GLY 15 4.559 -5.291 5.493 89 HA2 GLY 15 HA2 GLY 15 3.812 -6.623 7.870 90 HA3 GLY 15 HA3 GLY 15 3.053 -5.031 7.737 91 HA PRO 16 HA PRO 16 0.153 -7.604 5.391 92 HB2 PRO 16 HB2 PRO 16 -1.569 -5.233 5.649 93 HB3 PRO 16 HB3 PRO 16 -1.882 -6.887 6.179 94 HG2 PRO 16 HG2 PRO 16 -1.401 -4.907 7.930 95 HG3 PRO 16 HG3 PRO 16 -0.847 -6.566 8.213 96 HD2 PRO 16 HD2 PRO 16 0.701 -4.195 7.230 97 HD3 PRO 16 HD3 PRO 16 1.163 -5.441 8.411 98 H THR 17 H THR 17 1.163 -7.501 3.410 99 HA THR 17 HA THR 17 1.103 -5.008 1.964 100 HB THR 17 HB THR 17 2.371 -6.395 0.241 101 HG1 THR 17 HG1 THR 17 3.112 -8.176 2.209 102 HG21 THR 17 HG21 THR 17 3.534 -6.095 3.019 103 HG22 THR 17 HG22 THR 17 3.503 -4.847 1.770 104 HG23 THR 17 HG23 THR 17 4.467 -6.305 1.539 105 H VAL 18 H VAL 18 -0.711 -7.839 2.268 106 HA VAL 18 HA VAL 18 -1.838 -7.881 -0.376 107 HB VAL 18 HB VAL 18 -2.970 -9.138 2.142 108 HG11 VAL 18 HG11 VAL 18 -4.136 -10.655 0.594 109 HG12 VAL 18 HG12 VAL 18 -3.496 -9.739 -0.769 110 HG13 VAL 18 HG13 VAL 18 -4.609 -8.971 0.360 111 HG21 VAL 18 HG21 VAL 18 -1.141 -10.351 0.068 112 HG22 VAL 18 HG22 VAL 18 -1.885 -11.218 1.409 113 HG23 VAL 18 HG23 VAL 18 -0.699 -9.950 1.727 114 H CYS 19 H CYS 19 -3.032 -6.251 -1.038 115 HA CYS 19 HA CYS 19 -4.582 -4.652 0.810 116 HB2 CYS 19 HB2 CYS 19 -4.293 -4.439 -2.198 117 HB3 CYS 19 HB3 CYS 19 -5.078 -3.264 -1.150 118 H ALA 20 H ALA 20 -6.848 -4.224 0.444 119 HA ALA 20 HA ALA 20 -8.475 -6.451 0.297 120 HB1 ALA 20 HB1 ALA 20 -9.115 -4.335 1.357 121 HB2 ALA 20 HB2 ALA 20 -10.343 -4.894 0.219 122 HB3 ALA 20 HB3 ALA 20 -9.255 -3.584 -0.235 123 H SER 21 H SER 21 -10.028 -7.093 -1.221 124 HA SER 21 HA SER 21 -9.033 -7.441 -3.797 125 HB2 SER 21 HB2 SER 21 -11.842 -7.834 -2.768 126 HB3 SER 21 HB3 SER 21 -11.197 -8.483 -4.280 127 HG SER 21 HG SER 21 -9.961 -9.009 -1.790 128 H GLY 22 H GLY 22 -8.835 -6.001 -5.308 129 HA2 GLY 22 HA2 GLY 22 -9.993 -4.713 -7.005 130 HA3 GLY 22 HA3 GLY 22 -11.010 -4.075 -5.714 131 H THR 23 H THR 23 -8.290 -4.121 -4.143 132 HA THR 23 HA THR 23 -7.433 -1.547 -5.240 133 HB THR 23 HB THR 23 -6.690 -0.895 -2.975 134 HG1 THR 23 HG1 THR 23 -7.361 -3.552 -2.409 135 HG21 THR 23 HG21 THR 23 -9.528 -1.904 -3.003 136 HG22 THR 23 HG22 THR 23 -8.973 -0.331 -3.583 137 HG23 THR 23 HG23 THR 23 -8.877 -0.725 -1.867 138 H THR 24 H THR 24 -5.301 -1.271 -5.637 139 HA THR 24 HA THR 24 -3.708 -3.705 -5.357 140 HB THR 24 HB THR 24 -2.496 -2.878 -7.426 141 HG1 THR 24 HG1 THR 24 -4.511 -0.942 -7.191 142 HG21 THR 24 HG21 THR 24 -4.229 -3.751 -8.964 143 HG22 THR 24 HG22 THR 24 -5.430 -3.590 -7.683 144 HG23 THR 24 HG23 THR 24 -4.099 -4.733 -7.506 145 H CYS 25 H CYS 25 -1.701 -3.538 -4.564 146 HA CYS 25 HA CYS 25 -0.956 -1.167 -3.180 147 HB2 CYS 25 HB2 CYS 25 -0.378 -3.424 -2.328 148 HB3 CYS 25 HB3 CYS 25 0.645 -3.687 -3.737 149 H GLN 26 H GLN 26 -0.377 0.535 -4.344 150 HA GLN 26 HA GLN 26 1.458 0.070 -6.568 151 HB2 GLN 26 HB2 GLN 26 -0.477 2.350 -6.157 152 HB3 GLN 26 HB3 GLN 26 0.649 2.204 -7.493 153 HG2 GLN 26 HG2 GLN 26 -0.494 0.085 -8.136 154 HG3 GLN 26 HG3 GLN 26 -1.690 0.417 -6.888 155 HE21 GLN 26 HE21 GLN 26 -3.336 0.535 -8.381 156 HE22 GLN 26 HE22 GLN 26 -3.534 1.875 -9.441 157 H VAL 27 H VAL 27 3.387 0.787 -6.357 158 HA VAL 27 HA VAL 27 4.231 2.265 -4.091 159 HB VAL 27 HB VAL 27 5.690 1.614 -6.687 160 HG11 VAL 27 HG11 VAL 27 7.752 2.004 -5.434 161 HG12 VAL 27 HG12 VAL 27 6.808 2.471 -4.019 162 HG13 VAL 27 HG13 VAL 27 6.754 3.460 -5.476 163 HG21 VAL 27 HG21 VAL 27 5.738 0.202 -4.028 164 HG22 VAL 27 HG22 VAL 27 6.675 -0.245 -5.458 165 HG23 VAL 27 HG23 VAL 27 4.915 -0.362 -5.476 166 H LEU 28 H LEU 28 3.541 4.267 -3.936 167 HA LEU 28 HA LEU 28 2.939 5.888 -6.260 168 HB2 LEU 28 HB2 LEU 28 1.637 5.680 -3.974 169 HB3 LEU 28 HB3 LEU 28 2.862 6.758 -3.382 170 HG LEU 28 HG LEU 28 1.039 7.494 -5.675 171 HD11 LEU 28 HD11 LEU 28 -0.303 7.050 -3.696 172 HD12 LEU 28 HD12 LEU 28 -0.243 8.779 -4.039 173 HD13 LEU 28 HD13 LEU 28 0.739 8.105 -2.740 174 HD21 LEU 28 HD21 LEU 28 3.108 8.803 -5.498 175 HD22 LEU 28 HD22 LEU 28 2.723 9.191 -3.823 176 HD23 LEU 28 HD23 LEU 28 1.688 9.775 -5.127 177 H ASN 29 H ASN 29 5.091 5.818 -3.515 178 HA ASN 29 HA ASN 29 7.030 7.558 -4.848 179 HB2 ASN 29 HB2 ASN 29 6.246 7.621 -1.899 180 HB3 ASN 29 HB3 ASN 29 7.568 8.516 -2.620 181 HD21 ASN 29 HD21 ASN 29 5.244 9.412 -1.115 182 HD22 ASN 29 HD22 ASN 29 4.452 10.559 -2.128 183 HA PRO 30 HA PRO 30 9.871 4.287 -3.852 184 HB2 PRO 30 HB2 PRO 30 11.354 6.138 -2.032 185 HB3 PRO 30 HB3 PRO 30 11.984 5.086 -3.303 186 HG2 PRO 30 HG2 PRO 30 11.764 7.651 -3.798 187 HG3 PRO 30 HG3 PRO 30 11.200 6.490 -5.012 188 HD2 PRO 30 HD2 PRO 30 9.598 8.101 -3.064 189 HD3 PRO 30 HD3 PRO 30 9.271 7.774 -4.779 190 H TYR 31 H TYR 31 9.101 6.184 -0.897 191 HA TYR 31 HA TYR 31 9.356 3.682 0.620 192 HB2 TYR 31 HB2 TYR 31 8.794 6.444 1.740 193 HB3 TYR 31 HB3 TYR 31 9.317 5.019 2.604 194 HD1 TYR 31 HD1 TYR 31 11.676 4.348 2.602 195 HD2 TYR 31 HD2 TYR 31 10.377 7.784 0.466 196 HE1 TYR 31 HE1 TYR 31 14.010 5.122 2.411 197 HE2 TYR 31 HE2 TYR 31 12.682 8.552 0.267 198 HH TYR 31 HH TYR 31 14.754 8.296 1.257 199 H TYR 32 H TYR 32 7.035 5.955 -0.581 200 HA TYR 32 HA TYR 32 4.945 4.849 1.112 201 HB2 TYR 32 HB2 TYR 32 5.214 7.346 0.760 202 HB3 TYR 32 HB3 TYR 32 4.653 7.058 -0.885 203 HD1 TYR 32 HD1 TYR 32 2.420 7.213 -1.361 204 HD2 TYR 32 HD2 TYR 32 3.615 6.447 2.644 205 HE1 TYR 32 HE1 TYR 32 0.103 7.433 -0.635 206 HE2 TYR 32 HE2 TYR 32 1.283 6.677 3.390 207 HH TYR 32 HH TYR 32 -1.279 7.018 1.042 208 H SER 33 H SER 33 3.966 3.077 0.424 209 HA SER 33 HA SER 33 3.106 2.994 -2.376 210 HB2 SER 33 HB2 SER 33 3.638 0.646 -0.526 211 HB3 SER 33 HB3 SER 33 3.124 0.540 -2.209 212 HG SER 33 HG SER 33 5.435 0.283 -1.750 213 H GLN 34 H GLN 34 0.912 2.575 -2.660 214 HA GLN 34 HA GLN 34 -0.667 2.473 -0.197 215 HB2 GLN 34 HB2 GLN 34 -0.472 4.796 -0.695 216 HB3 GLN 34 HB3 GLN 34 -0.807 4.532 -2.392 217 HG2 GLN 34 HG2 GLN 34 -3.102 4.022 -1.904 218 HG3 GLN 34 HG3 GLN 34 -2.766 4.094 -0.171 219 HE21 GLN 34 HE21 GLN 34 -2.718 6.049 0.846 220 HE22 GLN 34 HE22 GLN 34 -3.012 7.542 0.010 221 H CYS 35 H CYS 35 -2.592 1.345 -0.358 222 HA CYS 35 HA CYS 35 -3.001 -0.256 -2.674 223 HB2 CYS 35 HB2 CYS 35 -4.849 0.129 -0.310 224 HB3 CYS 35 HB3 CYS 35 -4.874 -1.163 -1.486 225 H LEU 36 H LEU 36 -3.677 0.736 -4.406 226 HA LEU 36 HA LEU 36 -5.887 2.646 -4.273 227 HB2 LEU 36 HB2 LEU 36 -3.799 2.157 -6.405 228 HB3 LEU 36 HB3 LEU 36 -5.140 3.271 -6.566 229 HG LEU 36 HG LEU 36 -2.923 3.529 -4.526 230 HD11 LEU 36 HD11 LEU 36 -3.407 5.032 -7.089 231 HD12 LEU 36 HD12 LEU 36 -2.101 3.881 -6.799 232 HD13 LEU 36 HD13 LEU 36 -2.160 5.395 -5.899 233 HD21 LEU 36 HD21 LEU 36 -5.019 4.511 -3.777 234 HD22 LEU 36 HD22 LEU 36 -5.171 5.382 -5.302 235 HD23 LEU 36 HD23 LEU 36 -3.859 5.773 -4.192 236 H1 MAN 101 H1 MAN 101 10.544 -6.020 6.390 237 H2 MAN 101 H2 MAN 101 10.342 -3.835 7.763 238 H3 MAN 101 H3 MAN 101 10.036 -2.305 5.843 239 H4 MAN 101 H4 MAN 101 12.937 -2.987 5.232 240 H5 MAN 101 H5 MAN 101 10.372 -3.625 3.677 241 H61 MAN 101 H61 MAN 101 11.910 -4.979 2.270 242 H62 MAN 101 H62 MAN 101 13.302 -4.365 3.191 243 HO2 MAN 101 HO2 MAN 101 12.632 -3.469 7.781 244 HO3 MAN 101 HO3 MAN 101 11.775 -0.863 6.422 245 HO4 MAN 101 HO4 MAN 101 12.440 -1.681 3.445 246 HO6 MAN 101 HO6 MAN 101 11.512 -2.883 1.547 Start of MODEL 12 1 H1 THR 1 H1 THR 1 -6.500 -8.163 6.247 2 H2 THR 1 H2 THR 1 -4.809 -8.132 6.253 3 H3 THR 1 H3 THR 1 -5.631 -9.440 5.524 4 HA THR 1 HA THR 1 -4.789 -7.965 3.876 5 HB THR 1 HB THR 1 -7.791 -7.611 4.163 6 HG1 THR 1 HG1 THR 1 -7.142 -9.806 2.758 7 HG21 THR 1 HG21 THR 1 -6.005 -8.061 1.768 8 HG22 THR 1 HG22 THR 1 -6.716 -6.517 2.241 9 HG23 THR 1 HG23 THR 1 -7.753 -7.846 1.732 10 H GLN 2 H GLN 2 -4.545 -5.780 3.143 11 HA GLN 2 HA GLN 2 -4.977 -3.765 5.199 12 HB2 GLN 2 HB2 GLN 2 -2.858 -4.289 3.603 13 HB3 GLN 2 HB3 GLN 2 -3.709 -3.185 2.549 14 HG2 GLN 2 HG2 GLN 2 -2.770 -2.558 5.352 15 HG3 GLN 2 HG3 GLN 2 -1.966 -2.067 3.866 16 HE21 GLN 2 HE21 GLN 2 -2.947 -0.521 2.604 17 HE22 GLN 2 HE22 GLN 2 -4.160 0.540 3.226 18 H SER 3 H SER 3 -6.041 -1.715 4.577 19 HA SER 3 HA SER 3 -8.366 -2.237 2.902 20 HB2 SER 3 HB2 SER 3 -7.798 0.012 4.838 21 HB3 SER 3 HB3 SER 3 -9.340 -0.322 4.049 22 HG SER 3 HG SER 3 -8.114 -2.372 5.486 23 H HIS 4 H HIS 4 -9.229 -0.189 1.825 24 HA HIS 4 HA HIS 4 -7.415 0.681 -0.190 25 HB2 HIS 4 HB2 HIS 4 -9.904 0.235 -0.452 26 HB3 HIS 4 HB3 HIS 4 -10.196 1.708 0.447 27 HD1 HIS 4 HD1 HIS 4 -11.549 2.395 -1.770 28 HD2 HIS 4 HD2 HIS 4 -7.428 2.115 -2.182 29 HE1 HIS 4 HE1 HIS 4 -11.004 3.482 -3.954 30 HE2 HIS 4 HE2 HIS 4 -8.571 3.057 -4.277 31 H TYR 5 H TYR 5 -6.324 2.580 -0.341 32 HA TYR 5 HA TYR 5 -5.354 4.498 0.134 33 HB2 TYR 5 HB2 TYR 5 -7.830 5.186 1.724 34 HB3 TYR 5 HB3 TYR 5 -6.523 6.311 1.396 35 HD1 TYR 5 HD1 TYR 5 -9.673 5.221 0.362 36 HD2 TYR 5 HD2 TYR 5 -5.947 6.550 -1.182 37 HE1 TYR 5 HE1 TYR 5 -10.778 5.858 -1.730 38 HE2 TYR 5 HE2 TYR 5 -7.037 7.191 -3.277 39 HH TYR 5 HH TYR 5 -10.460 7.294 -3.595 40 H GLY 6 H GLY 6 -4.128 2.731 1.312 41 HA2 GLY 6 HA2 GLY 6 -3.224 3.986 3.737 42 HA3 GLY 6 HA3 GLY 6 -3.821 2.333 3.921 43 H GLN 7 H GLN 7 -1.096 3.246 4.271 44 HA GLN 7 HA GLN 7 0.433 2.563 2.001 45 HB2 GLN 7 HB2 GLN 7 1.327 3.989 3.818 46 HB3 GLN 7 HB3 GLN 7 1.288 2.612 4.905 47 HG2 GLN 7 HG2 GLN 7 2.937 1.459 3.504 48 HG3 GLN 7 HG3 GLN 7 2.990 2.841 2.415 49 HE21 GLN 7 HE21 GLN 7 5.244 3.235 2.802 50 HE22 GLN 7 HE22 GLN 7 5.774 3.830 4.301 51 H CYS 8 H CYS 8 0.621 0.669 1.158 52 HA CYS 8 HA CYS 8 0.027 -1.736 2.629 53 HB2 CYS 8 HB2 CYS 8 0.563 -2.821 0.362 54 HB3 CYS 8 HB3 CYS 8 -0.844 -1.772 0.447 55 H GLY 9 H GLY 9 2.861 -0.357 0.987 56 HA2 GLY 9 HA2 GLY 9 4.710 -0.951 2.818 57 HA3 GLY 9 HA3 GLY 9 4.510 -2.499 2.000 58 H GLY 10 H GLY 10 6.034 0.448 2.074 59 HA2 GLY 10 HA2 GLY 10 7.091 0.049 -0.633 60 HA3 GLY 10 HA3 GLY 10 7.120 1.582 0.244 61 H ILE 11 H ILE 11 9.475 1.498 -0.162 62 HA ILE 11 HA ILE 11 11.028 -0.480 1.124 63 HB ILE 11 HB ILE 11 11.799 2.370 0.383 64 HG12 ILE 11 HG12 ILE 11 12.292 -0.237 -1.084 65 HG13 ILE 11 HG13 ILE 11 11.082 0.962 -1.531 66 HG21 ILE 11 HG21 ILE 11 14.134 1.588 0.526 67 HG22 ILE 11 HG22 ILE 11 13.568 0.015 1.089 68 HG23 ILE 11 HG23 ILE 11 13.311 1.449 2.081 69 HD11 ILE 11 HD11 ILE 11 14.070 1.371 -1.526 70 HD12 ILE 11 HD12 ILE 11 12.864 2.575 -1.975 71 HD13 ILE 11 HD13 ILE 11 13.054 1.115 -2.944 72 H GLY 12 H GLY 12 11.329 -0.777 3.218 73 HA2 GLY 12 HA2 GLY 12 11.984 -0.067 5.356 74 HA3 GLY 12 HA3 GLY 12 11.365 1.536 4.991 75 H TYR 13 H TYR 13 8.979 -0.464 3.976 76 HA TYR 13 HA TYR 13 7.759 -0.444 6.648 77 HB2 TYR 13 HB2 TYR 13 6.664 1.165 5.111 78 HB3 TYR 13 HB3 TYR 13 6.337 -0.142 3.984 79 HD1 TYR 13 HD1 TYR 13 4.591 -1.832 4.512 80 HD2 TYR 13 HD2 TYR 13 5.352 1.427 7.136 81 HE1 TYR 13 HE1 TYR 13 2.497 -2.291 5.655 82 HE2 TYR 13 HE2 TYR 13 3.237 0.969 8.302 83 HH TYR 13 HH TYR 13 1.064 -0.150 7.823 84 H SER 14 H SER 14 6.781 -2.269 7.381 85 HA SER 14 HA SER 14 6.428 -4.506 5.560 86 HB2 SER 14 HB2 SER 14 7.643 -4.790 8.315 87 HB3 SER 14 HB3 SER 14 7.567 -6.016 7.044 88 H GLY 15 H GLY 15 4.652 -5.814 6.228 89 HA2 GLY 15 HA2 GLY 15 3.289 -6.046 8.491 90 HA3 GLY 15 HA3 GLY 15 2.820 -4.425 7.973 91 HA PRO 16 HA PRO 16 -0.185 -7.009 5.764 92 HB2 PRO 16 HB2 PRO 16 -1.787 -4.570 5.642 93 HB3 PRO 16 HB3 PRO 16 -2.183 -6.097 6.435 94 HG2 PRO 16 HG2 PRO 16 -1.635 -3.837 7.819 95 HG3 PRO 16 HG3 PRO 16 -1.256 -5.456 8.431 96 HD2 PRO 16 HD2 PRO 16 0.556 -3.442 7.156 97 HD3 PRO 16 HD3 PRO 16 0.841 -4.496 8.558 98 H THR 17 H THR 17 1.151 -7.088 3.936 99 HA THR 17 HA THR 17 1.304 -4.789 2.224 100 HB THR 17 HB THR 17 2.839 -6.432 0.974 101 HG1 THR 17 HG1 THR 17 2.885 -8.348 1.817 102 HG21 THR 17 HG21 THR 17 3.632 -4.543 2.360 103 HG22 THR 17 HG22 THR 17 4.680 -5.948 2.532 104 HG23 THR 17 HG23 THR 17 3.513 -5.558 3.797 105 H VAL 18 H VAL 18 -0.753 -7.367 2.596 106 HA VAL 18 HA VAL 18 -1.348 -7.588 -0.255 107 HB VAL 18 HB VAL 18 -2.570 -9.080 2.105 108 HG11 VAL 18 HG11 VAL 18 -2.959 -9.502 -0.866 109 HG12 VAL 18 HG12 VAL 18 -4.165 -8.901 0.269 110 HG13 VAL 18 HG13 VAL 18 -3.577 -10.556 0.405 111 HG21 VAL 18 HG21 VAL 18 -0.618 -10.020 0.001 112 HG22 VAL 18 HG22 VAL 18 -1.314 -11.014 1.284 113 HG23 VAL 18 HG23 VAL 18 -0.229 -9.687 1.685 114 H CYS 19 H CYS 19 -2.661 -6.139 -1.069 115 HA CYS 19 HA CYS 19 -4.330 -4.526 0.627 116 HB2 CYS 19 HB2 CYS 19 -3.923 -4.490 -2.370 117 HB3 CYS 19 HB3 CYS 19 -4.845 -3.303 -1.447 118 H ALA 20 H ALA 20 -6.577 -4.082 0.045 119 HA ALA 20 HA ALA 20 -8.154 -6.393 0.167 120 HB1 ALA 20 HB1 ALA 20 -8.759 -4.238 1.150 121 HB2 ALA 20 HB2 ALA 20 -10.026 -4.833 0.079 122 HB3 ALA 20 HB3 ALA 20 -8.942 -3.553 -0.463 123 H SER 21 H SER 21 -9.714 -7.183 -1.338 124 HA SER 21 HA SER 21 -8.779 -7.447 -3.943 125 HB2 SER 21 HB2 SER 21 -11.519 -7.999 -2.798 126 HB3 SER 21 HB3 SER 21 -10.934 -8.579 -4.357 127 HG SER 21 HG SER 21 -9.360 -9.761 -3.314 128 H GLY 22 H GLY 22 -8.784 -6.044 -5.489 129 HA2 GLY 22 HA2 GLY 22 -10.072 -4.761 -7.076 130 HA3 GLY 22 HA3 GLY 22 -11.021 -4.147 -5.722 131 H THR 23 H THR 23 -8.245 -4.105 -4.291 132 HA THR 23 HA THR 23 -7.520 -1.480 -5.379 133 HB THR 23 HB THR 23 -6.672 -0.875 -3.135 134 HG1 THR 23 HG1 THR 23 -7.170 -3.589 -2.632 135 HG21 THR 23 HG21 THR 23 -9.050 -0.490 -3.561 136 HG22 THR 23 HG22 THR 23 -8.760 -0.899 -1.869 137 HG23 THR 23 HG23 THR 23 -9.419 -2.110 -2.970 138 H THR 24 H THR 24 -5.339 -1.027 -5.637 139 HA THR 24 HA THR 24 -3.671 -3.428 -5.701 140 HB THR 24 HB THR 24 -2.498 -2.299 -7.645 141 HG1 THR 24 HG1 THR 24 -4.559 -0.457 -7.148 142 HG21 THR 24 HG21 THR 24 -4.080 -4.137 -7.984 143 HG22 THR 24 HG22 THR 24 -4.208 -2.958 -9.290 144 HG23 THR 24 HG23 THR 24 -5.417 -2.992 -8.005 145 H CYS 25 H CYS 25 -1.699 -3.299 -4.784 146 HA CYS 25 HA CYS 25 -1.003 -1.001 -3.212 147 HB2 CYS 25 HB2 CYS 25 -0.447 -3.294 -2.456 148 HB3 CYS 25 HB3 CYS 25 0.573 -3.520 -3.871 149 H GLN 26 H GLN 26 -0.599 0.731 -4.463 150 HA GLN 26 HA GLN 26 1.206 0.416 -6.730 151 HB2 GLN 26 HB2 GLN 26 -0.586 2.718 -5.944 152 HB3 GLN 26 HB3 GLN 26 0.473 2.714 -7.344 153 HG2 GLN 26 HG2 GLN 26 -0.756 0.826 -8.275 154 HG3 GLN 26 HG3 GLN 26 -1.814 0.816 -6.868 155 HE21 GLN 26 HE21 GLN 26 -3.601 1.141 -8.115 156 HE22 GLN 26 HE22 GLN 26 -3.983 2.654 -8.858 157 H VAL 27 H VAL 27 3.187 1.170 -6.703 158 HA VAL 27 HA VAL 27 4.175 2.329 -4.258 159 HB VAL 27 HB VAL 27 5.683 1.666 -6.815 160 HG11 VAL 27 HG11 VAL 27 6.892 3.229 -5.409 161 HG12 VAL 27 HG12 VAL 27 7.677 1.647 -5.363 162 HG13 VAL 27 HG13 VAL 27 6.676 2.175 -4.015 163 HG21 VAL 27 HG21 VAL 27 5.339 -0.006 -4.329 164 HG22 VAL 27 HG22 VAL 27 6.390 -0.396 -5.691 165 HG23 VAL 27 HG23 VAL 27 4.644 -0.345 -5.913 166 H LEU 28 H LEU 28 3.431 4.325 -4.140 167 HA LEU 28 HA LEU 28 3.292 6.140 -6.369 168 HB2 LEU 28 HB2 LEU 28 2.948 6.645 -3.413 169 HB3 LEU 28 HB3 LEU 28 2.528 7.747 -4.706 170 HG LEU 28 HG LEU 28 1.215 5.077 -4.212 171 HD11 LEU 28 HD11 LEU 28 -0.722 6.425 -3.531 172 HD12 LEU 28 HD12 LEU 28 0.266 7.885 -3.664 173 HD13 LEU 28 HD13 LEU 28 0.663 6.654 -2.465 174 HD21 LEU 28 HD21 LEU 28 1.193 5.702 -6.563 175 HD22 LEU 28 HD22 LEU 28 0.577 7.299 -6.128 176 HD23 LEU 28 HD23 LEU 28 -0.420 5.866 -5.856 177 H ASN 29 H ASN 29 5.177 5.816 -3.463 178 HA ASN 29 HA ASN 29 7.276 7.553 -4.561 179 HB2 ASN 29 HB2 ASN 29 6.351 7.310 -1.663 180 HB3 ASN 29 HB3 ASN 29 7.754 8.191 -2.203 181 HD21 ASN 29 HD21 ASN 29 6.999 10.046 -1.222 182 HD22 ASN 29 HD22 ASN 29 5.690 10.975 -1.853 183 HA PRO 30 HA PRO 30 9.863 4.026 -3.731 184 HB2 PRO 30 HB2 PRO 30 11.564 5.505 -1.795 185 HB3 PRO 30 HB3 PRO 30 12.024 4.662 -3.277 186 HG2 PRO 30 HG2 PRO 30 11.982 7.306 -3.195 187 HG3 PRO 30 HG3 PRO 30 11.425 6.441 -4.635 188 HD2 PRO 30 HD2 PRO 30 9.823 7.733 -2.463 189 HD3 PRO 30 HD3 PRO 30 9.534 7.736 -4.213 190 H TYR 31 H TYR 31 9.001 5.838 -0.805 191 HA TYR 31 HA TYR 31 9.102 3.289 0.658 192 HB2 TYR 31 HB2 TYR 31 8.798 6.039 1.858 193 HB3 TYR 31 HB3 TYR 31 9.267 4.548 2.647 194 HD1 TYR 31 HD1 TYR 31 10.444 7.371 0.630 195 HD2 TYR 31 HD2 TYR 31 11.534 3.651 2.363 196 HE1 TYR 31 HE1 TYR 31 12.796 7.917 0.308 197 HE2 TYR 31 HE2 TYR 31 13.883 4.185 2.043 198 HH TYR 31 HH TYR 31 15.253 5.623 0.622 199 H TYR 32 H TYR 32 7.002 5.861 -0.441 200 HA TYR 32 HA TYR 32 4.820 4.821 1.161 201 HB2 TYR 32 HB2 TYR 32 5.243 7.343 0.781 202 HB3 TYR 32 HB3 TYR 32 4.587 7.063 -0.823 203 HD1 TYR 32 HD1 TYR 32 2.252 7.154 -1.189 204 HD2 TYR 32 HD2 TYR 32 3.765 6.645 2.765 205 HE1 TYR 32 HE1 TYR 32 -0.017 7.456 -0.278 206 HE2 TYR 32 HE2 TYR 32 1.508 6.949 3.677 207 HH TYR 32 HH TYR 32 -1.305 6.912 1.771 208 H SER 33 H SER 33 3.755 3.183 0.419 209 HA SER 33 HA SER 33 2.967 3.162 -2.390 210 HB2 SER 33 HB2 SER 33 3.682 0.747 -0.689 211 HB3 SER 33 HB3 SER 33 3.197 0.721 -2.385 212 HG SER 33 HG SER 33 5.215 2.381 -2.262 213 H GLN 34 H GLN 34 0.766 2.739 -2.613 214 HA GLN 34 HA GLN 34 -0.650 2.300 -0.096 215 HB2 GLN 34 HB2 GLN 34 -0.491 4.693 -0.364 216 HB3 GLN 34 HB3 GLN 34 -1.135 4.597 -1.993 217 HG2 GLN 34 HG2 GLN 34 -3.282 3.980 -1.184 218 HG3 GLN 34 HG3 GLN 34 -2.657 3.730 0.442 219 HE21 GLN 34 HE21 GLN 34 -3.710 6.051 -1.867 220 HE22 GLN 34 HE22 GLN 34 -3.654 7.415 -0.813 221 H CYS 35 H CYS 35 -2.536 1.180 -0.237 222 HA CYS 35 HA CYS 35 -3.086 -0.229 -2.634 223 HB2 CYS 35 HB2 CYS 35 -4.901 -0.013 -0.223 224 HB3 CYS 35 HB3 CYS 35 -4.841 -1.252 -1.443 225 H LEU 36 H LEU 36 -3.836 0.863 -4.253 226 HA LEU 36 HA LEU 36 -6.077 2.685 -3.880 227 HB2 LEU 36 HB2 LEU 36 -3.983 2.521 -6.046 228 HB3 LEU 36 HB3 LEU 36 -5.384 3.564 -6.120 229 HG LEU 36 HG LEU 36 -3.198 3.770 -4.041 230 HD11 LEU 36 HD11 LEU 36 -2.390 4.374 -6.252 231 HD12 LEU 36 HD12 LEU 36 -2.568 5.806 -5.232 232 HD13 LEU 36 HD13 LEU 36 -3.771 5.446 -6.470 233 HD21 LEU 36 HD21 LEU 36 -5.587 5.487 -4.655 234 HD22 LEU 36 HD22 LEU 36 -4.265 5.964 -3.616 235 HD23 LEU 36 HD23 LEU 36 -5.283 4.588 -3.163 236 H1 MAN 101 H1 MAN 101 9.940 -6.315 6.776 237 H2 MAN 101 H2 MAN 101 9.250 -5.867 9.080 238 H3 MAN 101 H3 MAN 101 9.449 -3.756 9.797 239 H4 MAN 101 H4 MAN 101 11.491 -2.282 9.000 240 H5 MAN 101 H5 MAN 101 11.760 -2.774 6.430 241 H61 MAN 101 H61 MAN 101 13.632 -2.728 8.011 242 H62 MAN 101 H62 MAN 101 13.848 -3.951 6.751 243 HO2 MAN 101 HO2 MAN 101 12.040 -5.800 8.635 244 HO3 MAN 101 HO3 MAN 101 12.203 -4.439 9.976 245 HO4 MAN 101 HO4 MAN 101 10.153 -1.475 7.397 246 HO6 MAN 101 HO6 MAN 101 14.291 -5.117 8.501 Start of MODEL 13 1 H1 THR 1 H1 THR 1 -7.352 -7.116 5.342 2 H2 THR 1 H2 THR 1 -5.780 -7.391 5.905 3 H3 THR 1 H3 THR 1 -6.577 -8.570 4.964 4 HA THR 1 HA THR 1 -4.952 -7.316 3.726 5 HB THR 1 HB THR 1 -6.625 -6.486 1.945 6 HG1 THR 1 HG1 THR 1 -8.793 -7.311 2.333 7 HG21 THR 1 HG21 THR 1 -6.802 -9.340 2.946 8 HG22 THR 1 HG22 THR 1 -5.587 -8.692 1.848 9 HG23 THR 1 HG23 THR 1 -7.269 -8.790 1.335 10 H GLN 2 H GLN 2 -4.181 -5.323 3.006 11 HA GLN 2 HA GLN 2 -4.651 -3.243 4.884 12 HB2 GLN 2 HB2 GLN 2 -2.486 -3.968 3.466 13 HB3 GLN 2 HB3 GLN 2 -3.086 -2.728 2.383 14 HG2 GLN 2 HG2 GLN 2 -2.492 -2.284 5.315 15 HG3 GLN 2 HG3 GLN 2 -1.356 -1.947 4.031 16 HE21 GLN 2 HE21 GLN 2 -3.315 -0.918 2.231 17 HE22 GLN 2 HE22 GLN 2 -3.845 0.592 2.856 18 H SER 3 H SER 3 -5.807 -1.453 4.681 19 HA SER 3 HA SER 3 -8.086 -1.511 3.059 20 HB2 SER 3 HB2 SER 3 -7.008 0.676 4.821 21 HB3 SER 3 HB3 SER 3 -8.673 0.530 4.255 22 HG SER 3 HG SER 3 -8.934 -1.274 5.461 23 H HIS 4 H HIS 4 -8.894 0.205 1.720 24 HA HIS 4 HA HIS 4 -7.111 1.018 -0.342 25 HB2 HIS 4 HB2 HIS 4 -9.666 0.593 -0.522 26 HB3 HIS 4 HB3 HIS 4 -9.853 2.188 0.184 27 HD1 HIS 4 HD1 HIS 4 -11.090 2.837 -2.139 28 HD2 HIS 4 HD2 HIS 4 -7.059 1.900 -2.448 29 HE1 HIS 4 HE1 HIS 4 -10.420 3.499 -4.449 30 HE2 HIS 4 HE2 HIS 4 -8.169 2.368 -4.662 31 H TYR 5 H TYR 5 -5.825 2.758 -0.345 32 HA TYR 5 HA TYR 5 -4.845 4.665 0.138 33 HB2 TYR 5 HB2 TYR 5 -7.413 5.462 1.514 34 HB3 TYR 5 HB3 TYR 5 -5.998 6.501 1.461 35 HD1 TYR 5 HD1 TYR 5 -5.368 7.626 -0.551 36 HD2 TYR 5 HD2 TYR 5 -8.712 5.002 -0.530 37 HE1 TYR 5 HE1 TYR 5 -6.097 8.556 -2.695 38 HE2 TYR 5 HE2 TYR 5 -9.447 5.922 -2.686 39 HH TYR 5 HH TYR 5 -7.428 7.923 -4.560 40 H GLY 6 H GLY 6 -3.769 2.834 1.309 41 HA2 GLY 6 HA2 GLY 6 -2.793 4.007 3.737 42 HA3 GLY 6 HA3 GLY 6 -3.482 2.383 3.905 43 H GLN 7 H GLN 7 -0.755 2.853 4.354 44 HA GLN 7 HA GLN 7 0.683 2.256 1.937 45 HB2 GLN 7 HB2 GLN 7 1.692 3.684 3.666 46 HB3 GLN 7 HB3 GLN 7 1.651 2.343 4.799 47 HG2 GLN 7 HG2 GLN 7 3.251 1.115 3.475 48 HG3 GLN 7 HG3 GLN 7 3.248 2.358 2.231 49 HE21 GLN 7 HE21 GLN 7 5.546 2.775 2.483 50 HE22 GLN 7 HE22 GLN 7 6.099 3.525 3.919 51 H CYS 8 H CYS 8 0.802 0.366 1.130 52 HA CYS 8 HA CYS 8 0.032 -1.995 2.616 53 HB2 CYS 8 HB2 CYS 8 0.327 -3.037 0.315 54 HB3 CYS 8 HB3 CYS 8 -0.947 -1.837 0.511 55 H GLY 9 H GLY 9 2.890 -0.858 0.871 56 HA2 GLY 9 HA2 GLY 9 4.669 -2.170 2.566 57 HA3 GLY 9 HA3 GLY 9 4.310 -3.247 1.223 58 H GLY 10 H GLY 10 5.599 -0.172 2.125 59 HA2 GLY 10 HA2 GLY 10 6.962 -0.064 -0.479 60 HA3 GLY 10 HA3 GLY 10 6.636 1.343 0.543 61 H ILE 11 H ILE 11 9.083 1.444 0.100 62 HA ILE 11 HA ILE 11 10.765 -0.334 1.511 63 HB ILE 11 HB ILE 11 11.348 2.534 0.716 64 HG12 ILE 11 HG12 ILE 11 11.970 -0.037 -0.758 65 HG13 ILE 11 HG13 ILE 11 10.703 1.098 -1.207 66 HG21 ILE 11 HG21 ILE 11 13.214 0.252 1.410 67 HG22 ILE 11 HG22 ILE 11 12.899 1.672 2.402 68 HG23 ILE 11 HG23 ILE 11 13.712 1.850 0.845 69 HD11 ILE 11 HD11 ILE 11 13.665 1.663 -1.174 70 HD12 ILE 11 HD12 ILE 11 12.396 2.804 -1.629 71 HD13 ILE 11 HD13 ILE 11 12.675 1.360 -2.601 72 H GLY 12 H GLY 12 10.769 -0.577 3.606 73 HA2 GLY 12 HA2 GLY 12 11.397 0.327 5.752 74 HA3 GLY 12 HA3 GLY 12 10.517 1.790 5.338 75 H TYR 13 H TYR 13 8.561 -0.442 4.150 76 HA TYR 13 HA TYR 13 7.055 -0.555 6.652 77 HB2 TYR 13 HB2 TYR 13 5.964 0.577 4.707 78 HB3 TYR 13 HB3 TYR 13 6.035 -0.946 3.830 79 HD1 TYR 13 HD1 TYR 13 4.610 -2.886 4.618 80 HD2 TYR 13 HD2 TYR 13 4.266 0.989 6.314 81 HE1 TYR 13 HE1 TYR 13 2.423 -3.495 5.561 82 HE2 TYR 13 HE2 TYR 13 2.094 0.389 7.268 83 HH TYR 13 HH TYR 13 0.289 -1.228 6.719 84 H SER 14 H SER 14 6.572 -2.431 7.550 85 HA SER 14 HA SER 14 6.753 -4.896 6.011 86 HB2 SER 14 HB2 SER 14 8.016 -4.335 8.704 87 HB3 SER 14 HB3 SER 14 7.900 -5.938 7.960 88 H GLY 15 H GLY 15 4.782 -5.802 6.174 89 HA2 GLY 15 HA2 GLY 15 3.450 -6.465 8.462 90 HA3 GLY 15 HA3 GLY 15 2.859 -4.861 8.024 91 HA PRO 16 HA PRO 16 0.224 -7.721 5.598 92 HB2 PRO 16 HB2 PRO 16 -1.736 -5.543 5.850 93 HB3 PRO 16 HB3 PRO 16 -1.899 -7.237 6.332 94 HG2 PRO 16 HG2 PRO 16 -1.687 -5.287 8.168 95 HG3 PRO 16 HG3 PRO 16 -0.935 -6.874 8.404 96 HD2 PRO 16 HD2 PRO 16 0.334 -4.320 7.461 97 HD3 PRO 16 HD3 PRO 16 0.900 -5.470 8.694 98 H THR 17 H THR 17 1.377 -7.417 3.737 99 HA THR 17 HA THR 17 1.367 -4.959 2.309 100 HB THR 17 HB THR 17 2.637 -6.331 0.608 101 HG1 THR 17 HG1 THR 17 2.398 -8.393 0.824 102 HG21 THR 17 HG21 THR 17 4.651 -6.522 2.011 103 HG22 THR 17 HG22 THR 17 3.649 -6.413 3.460 104 HG23 THR 17 HG23 THR 17 3.776 -5.032 2.375 105 H VAL 18 H VAL 18 -0.508 -7.854 2.266 106 HA VAL 18 HA VAL 18 -1.447 -7.534 -0.420 107 HB VAL 18 HB VAL 18 -2.595 -9.254 1.808 108 HG11 VAL 18 HG11 VAL 18 -3.044 -9.400 -1.179 109 HG12 VAL 18 HG12 VAL 18 -4.212 -8.829 0.007 110 HG13 VAL 18 HG13 VAL 18 -3.698 -10.514 0.023 111 HG21 VAL 18 HG21 VAL 18 -0.695 -9.963 -0.424 112 HG22 VAL 18 HG22 VAL 18 -1.379 -11.095 0.743 113 HG23 VAL 18 HG23 VAL 18 -0.278 -9.829 1.281 114 H CYS 19 H CYS 19 -2.823 -6.092 -1.043 115 HA CYS 19 HA CYS 19 -4.366 -4.561 0.831 116 HB2 CYS 19 HB2 CYS 19 -4.251 -4.407 -2.193 117 HB3 CYS 19 HB3 CYS 19 -5.008 -3.244 -1.112 118 H ALA 20 H ALA 20 -6.692 -4.103 0.286 119 HA ALA 20 HA ALA 20 -8.155 -6.503 0.396 120 HB1 ALA 20 HB1 ALA 20 -8.893 -4.447 1.490 121 HB2 ALA 20 HB2 ALA 20 -10.126 -5.052 0.384 122 HB3 ALA 20 HB3 ALA 20 -9.117 -3.686 -0.085 123 H SER 21 H SER 21 -9.744 -7.285 -1.082 124 HA SER 21 HA SER 21 -8.957 -7.585 -3.717 125 HB2 SER 21 HB2 SER 21 -11.782 -7.761 -2.698 126 HB3 SER 21 HB3 SER 21 -11.032 -8.713 -3.980 127 HG SER 21 HG SER 21 -9.809 -9.774 -2.496 128 H GLY 22 H GLY 22 -8.944 -6.052 -5.311 129 HA2 GLY 22 HA2 GLY 22 -10.256 -4.676 -6.769 130 HA3 GLY 22 HA3 GLY 22 -11.168 -4.139 -5.358 131 H THR 23 H THR 23 -8.068 -4.293 -4.341 132 HA THR 23 HA THR 23 -7.420 -1.625 -5.333 133 HB THR 23 HB THR 23 -6.544 -0.990 -3.102 134 HG1 THR 23 HG1 THR 23 -7.304 -3.634 -2.484 135 HG21 THR 23 HG21 THR 23 -8.672 -0.789 -1.891 136 HG22 THR 23 HG22 THR 23 -9.405 -1.941 -3.011 137 HG23 THR 23 HG23 THR 23 -8.835 -0.380 -3.594 138 H THR 24 H THR 24 -5.209 -1.268 -5.671 139 HA THR 24 HA THR 24 -3.637 -3.743 -5.575 140 HB THR 24 HB THR 24 -2.430 -2.786 -7.587 141 HG1 THR 24 HG1 THR 24 -4.403 -0.802 -7.212 142 HG21 THR 24 HG21 THR 24 -4.096 -4.567 -7.804 143 HG22 THR 24 HG22 THR 24 -4.175 -3.464 -9.180 144 HG23 THR 24 HG23 THR 24 -5.380 -3.363 -7.895 145 H CYS 25 H CYS 25 -1.586 -3.646 -4.706 146 HA CYS 25 HA CYS 25 -0.920 -1.280 -3.231 147 HB2 CYS 25 HB2 CYS 25 -0.434 -3.513 -2.292 148 HB3 CYS 25 HB3 CYS 25 0.624 -3.858 -3.654 149 H GLN 26 H GLN 26 -0.261 0.399 -4.430 150 HA GLN 26 HA GLN 26 1.787 -0.140 -6.460 151 HB2 GLN 26 HB2 GLN 26 -0.417 1.904 -6.499 152 HB3 GLN 26 HB3 GLN 26 0.953 1.931 -7.591 153 HG2 GLN 26 HG2 GLN 26 0.309 -0.243 -8.469 154 HG3 GLN 26 HG3 GLN 26 -1.068 -0.284 -7.364 155 HE21 GLN 26 HE21 GLN 26 -2.825 0.976 -7.788 156 HE22 GLN 26 HE22 GLN 26 -3.047 1.791 -9.294 157 H VAL 27 H VAL 27 3.497 1.106 -6.554 158 HA VAL 27 HA VAL 27 4.342 2.523 -4.293 159 HB VAL 27 HB VAL 27 5.402 2.561 -7.147 160 HG11 VAL 27 HG11 VAL 27 6.205 4.507 -5.920 161 HG12 VAL 27 HG12 VAL 27 7.512 3.355 -6.196 162 HG13 VAL 27 HG13 VAL 27 6.751 3.466 -4.608 163 HG21 VAL 27 HG21 VAL 27 6.267 0.962 -4.745 164 HG22 VAL 27 HG22 VAL 27 7.059 0.957 -6.319 165 HG23 VAL 27 HG23 VAL 27 5.406 0.352 -6.156 166 H LEU 28 H LEU 28 3.572 4.444 -3.700 167 HA LEU 28 HA LEU 28 2.270 6.193 -5.659 168 HB2 LEU 28 HB2 LEU 28 1.263 5.463 -3.368 169 HB3 LEU 28 HB3 LEU 28 2.442 6.534 -2.666 170 HG LEU 28 HG LEU 28 0.281 7.476 -4.570 171 HD11 LEU 28 HD11 LEU 28 -0.738 6.532 -2.586 172 HD12 LEU 28 HD12 LEU 28 -0.876 8.293 -2.586 173 HD13 LEU 28 HD13 LEU 28 0.321 7.506 -1.568 174 HD21 LEU 28 HD21 LEU 28 0.756 9.675 -3.633 175 HD22 LEU 28 HD22 LEU 28 2.198 8.981 -4.381 176 HD23 LEU 28 HD23 LEU 28 2.028 8.980 -2.627 177 H ASN 29 H ASN 29 4.754 6.070 -3.214 178 HA ASN 29 HA ASN 29 6.268 8.225 -4.485 179 HB2 ASN 29 HB2 ASN 29 5.814 7.850 -1.489 180 HB3 ASN 29 HB3 ASN 29 6.966 8.966 -2.199 181 HD21 ASN 29 HD21 ASN 29 4.794 9.452 -0.366 182 HD22 ASN 29 HD22 ASN 29 3.760 10.596 -1.113 183 HA PRO 30 HA PRO 30 9.636 5.341 -4.353 184 HB2 PRO 30 HB2 PRO 30 11.018 7.000 -2.290 185 HB3 PRO 30 HB3 PRO 30 11.666 6.303 -3.782 186 HG2 PRO 30 HG2 PRO 30 11.070 8.852 -3.723 187 HG3 PRO 30 HG3 PRO 30 10.588 7.879 -5.127 188 HD2 PRO 30 HD2 PRO 30 8.935 8.878 -2.862 189 HD3 PRO 30 HD3 PRO 30 8.513 8.767 -4.582 190 H TYR 31 H TYR 31 8.813 6.428 -1.048 191 HA TYR 31 HA TYR 31 9.495 3.725 -0.118 192 HB2 TYR 31 HB2 TYR 31 9.168 6.287 1.489 193 HB3 TYR 31 HB3 TYR 31 9.600 4.711 2.146 194 HD1 TYR 31 HD1 TYR 31 10.777 7.453 -0.063 195 HD2 TYR 31 HD2 TYR 31 11.831 3.925 2.053 196 HE1 TYR 31 HE1 TYR 31 13.145 7.885 -0.534 197 HE2 TYR 31 HE2 TYR 31 14.190 4.343 1.590 198 HH TYR 31 HH TYR 31 15.341 7.270 0.462 199 H TYR 32 H TYR 32 6.930 5.954 -0.537 200 HA TYR 32 HA TYR 32 5.157 4.404 1.169 201 HB2 TYR 32 HB2 TYR 32 5.190 6.952 1.125 202 HB3 TYR 32 HB3 TYR 32 4.439 6.820 -0.459 203 HD1 TYR 32 HD1 TYR 32 2.128 6.529 -0.668 204 HD2 TYR 32 HD2 TYR 32 3.987 5.971 3.100 205 HE1 TYR 32 HE1 TYR 32 -0.080 6.398 0.398 206 HE2 TYR 32 HE2 TYR 32 1.793 5.835 4.179 207 HH TYR 32 HH TYR 32 -1.110 5.620 2.290 208 H SER 33 H SER 33 4.313 2.618 0.246 209 HA SER 33 HA SER 33 3.253 2.882 -2.466 210 HB2 SER 33 HB2 SER 33 3.819 0.303 -0.938 211 HB3 SER 33 HB3 SER 33 3.352 0.472 -2.634 212 HG SER 33 HG SER 33 5.444 0.335 -2.850 213 H GLN 34 H GLN 34 1.054 2.511 -2.708 214 HA GLN 34 HA GLN 34 -0.410 2.112 -0.211 215 HB2 GLN 34 HB2 GLN 34 -0.199 4.496 -0.506 216 HB3 GLN 34 HB3 GLN 34 -0.804 4.384 -2.148 217 HG2 GLN 34 HG2 GLN 34 -2.981 3.862 -1.410 218 HG3 GLN 34 HG3 GLN 34 -2.421 3.561 0.231 219 HE21 GLN 34 HE21 GLN 34 -3.274 5.966 -2.085 220 HE22 GLN 34 HE22 GLN 34 -3.255 7.299 -0.984 221 H CYS 35 H CYS 35 -2.353 1.123 -0.377 222 HA CYS 35 HA CYS 35 -2.958 -0.355 -2.713 223 HB2 CYS 35 HB2 CYS 35 -4.764 0.171 -0.351 224 HB3 CYS 35 HB3 CYS 35 -4.833 -1.150 -1.496 225 H LEU 36 H LEU 36 -3.644 0.645 -4.424 226 HA LEU 36 HA LEU 36 -5.727 2.694 -4.219 227 HB2 LEU 36 HB2 LEU 36 -3.585 2.299 -6.319 228 HB3 LEU 36 HB3 LEU 36 -4.883 3.463 -6.435 229 HG LEU 36 HG LEU 36 -2.713 3.503 -4.335 230 HD11 LEU 36 HD11 LEU 36 -1.869 5.456 -5.542 231 HD12 LEU 36 HD12 LEU 36 -3.110 5.236 -6.774 232 HD13 LEU 36 HD13 LEU 36 -1.850 4.019 -6.565 233 HD21 LEU 36 HD21 LEU 36 -4.737 4.504 -3.472 234 HD22 LEU 36 HD22 LEU 36 -4.961 5.406 -4.965 235 HD23 LEU 36 HD23 LEU 36 -3.615 5.799 -3.906 236 H1 MAN 101 H1 MAN 101 11.211 -4.370 7.071 237 H2 MAN 101 H2 MAN 101 9.727 -6.157 9.029 238 H3 MAN 101 H3 MAN 101 11.206 -5.297 10.624 239 H4 MAN 101 H4 MAN 101 12.950 -4.538 8.258 240 H5 MAN 101 H5 MAN 101 11.441 -2.662 10.185 241 H61 MAN 101 H61 MAN 101 11.474 -1.164 8.223 242 H62 MAN 101 H62 MAN 101 12.387 -2.357 7.276 243 HO2 MAN 101 HO2 MAN 101 10.574 -6.927 6.984 244 HO3 MAN 101 HO3 MAN 101 12.887 -6.811 8.886 245 HO4 MAN 101 HO4 MAN 101 14.046 -5.022 10.191 246 HO6 MAN 101 HO6 MAN 101 13.913 -2.178 9.258 Start of MODEL 14 1 H1 THR 1 H1 THR 1 -4.854 -8.070 6.096 2 H2 THR 1 H2 THR 1 -3.434 -8.230 5.165 3 H3 THR 1 H3 THR 1 -4.797 -9.218 4.882 4 HA THR 1 HA THR 1 -4.602 -7.495 3.243 5 HB THR 1 HB THR 1 -7.023 -7.239 5.031 6 HG1 THR 1 HG1 THR 1 -7.661 -9.155 3.703 7 HG21 THR 1 HG21 THR 1 -6.977 -5.844 3.006 8 HG22 THR 1 HG22 THR 1 -8.204 -7.105 2.882 9 HG23 THR 1 HG23 THR 1 -6.669 -7.280 2.030 10 H GLN 2 H GLN 2 -4.496 -5.280 2.822 11 HA GLN 2 HA GLN 2 -4.463 -3.515 5.154 12 HB2 GLN 2 HB2 GLN 2 -2.224 -4.119 3.954 13 HB3 GLN 2 HB3 GLN 2 -2.793 -3.076 2.670 14 HG2 GLN 2 HG2 GLN 2 -2.504 -2.154 5.527 15 HG3 GLN 2 HG3 GLN 2 -1.189 -2.066 4.366 16 HE21 GLN 2 HE21 GLN 2 -2.850 -1.335 2.145 17 HE22 GLN 2 HE22 GLN 2 -3.385 0.266 2.438 18 H SER 3 H SER 3 -5.480 -1.555 4.907 19 HA SER 3 HA SER 3 -7.841 -1.531 3.477 20 HB2 SER 3 HB2 SER 3 -6.429 0.731 4.850 21 HB3 SER 3 HB3 SER 3 -8.149 0.619 4.486 22 HG SER 3 HG SER 3 -8.062 -0.079 6.468 23 H HIS 4 H HIS 4 -8.673 -0.104 1.980 24 HA HIS 4 HA HIS 4 -7.145 0.583 -0.303 25 HB2 HIS 4 HB2 HIS 4 -9.679 0.149 -0.147 26 HB3 HIS 4 HB3 HIS 4 -9.821 1.746 0.555 27 HD1 HIS 4 HD1 HIS 4 -11.479 1.683 -1.772 28 HD2 HIS 4 HD2 HIS 4 -7.382 2.141 -2.245 29 HE1 HIS 4 HE1 HIS 4 -11.159 2.504 -4.107 30 HE2 HIS 4 HE2 HIS 4 -8.659 2.243 -4.416 31 H TYR 5 H TYR 5 -6.028 2.472 -0.723 32 HA TYR 5 HA TYR 5 -5.068 4.422 -0.491 33 HB2 TYR 5 HB2 TYR 5 -7.540 5.147 1.074 34 HB3 TYR 5 HB3 TYR 5 -6.223 6.294 0.842 35 HD1 TYR 5 HD1 TYR 5 -5.480 6.714 -1.590 36 HD2 TYR 5 HD2 TYR 5 -9.222 4.989 -0.551 37 HE1 TYR 5 HE1 TYR 5 -6.363 7.341 -3.785 38 HE2 TYR 5 HE2 TYR 5 -10.116 5.618 -2.772 39 HH TYR 5 HH TYR 5 -9.675 7.211 -4.531 40 H GLY 6 H GLY 6 -4.852 2.258 1.720 41 HA2 GLY 6 HA2 GLY 6 -3.398 3.944 3.633 42 HA3 GLY 6 HA3 GLY 6 -3.794 2.239 3.852 43 H GLN 7 H GLN 7 -1.213 3.071 4.308 44 HA GLN 7 HA GLN 7 0.400 2.645 1.969 45 HB2 GLN 7 HB2 GLN 7 1.212 4.087 3.802 46 HB3 GLN 7 HB3 GLN 7 1.184 2.716 4.898 47 HG2 GLN 7 HG2 GLN 7 2.917 1.608 3.544 48 HG3 GLN 7 HG3 GLN 7 2.960 3.002 2.469 49 HE21 GLN 7 HE21 GLN 7 5.200 3.426 2.939 50 HE22 GLN 7 HE22 GLN 7 5.662 4.020 4.460 51 H CYS 8 H CYS 8 0.492 0.747 1.093 52 HA CYS 8 HA CYS 8 -0.108 -1.651 2.578 53 HB2 CYS 8 HB2 CYS 8 0.164 -2.735 0.331 54 HB3 CYS 8 HB3 CYS 8 -1.097 -1.513 0.467 55 H GLY 9 H GLY 9 2.759 -0.230 1.139 56 HA2 GLY 9 HA2 GLY 9 4.559 -1.517 2.724 57 HA3 GLY 9 HA3 GLY 9 4.210 -2.690 1.469 58 H GLY 10 H GLY 10 5.667 0.303 2.242 59 HA2 GLY 10 HA2 GLY 10 7.004 0.226 -0.355 60 HA3 GLY 10 HA3 GLY 10 6.830 1.687 0.634 61 H ILE 11 H ILE 11 9.274 1.566 0.241 62 HA ILE 11 HA ILE 11 10.813 -0.303 1.676 63 HB ILE 11 HB ILE 11 11.452 2.613 1.066 64 HG12 ILE 11 HG12 ILE 11 12.196 0.104 -0.463 65 HG13 ILE 11 HG13 ILE 11 10.961 1.258 -0.949 66 HG21 ILE 11 HG21 ILE 11 13.303 0.340 1.824 67 HG22 ILE 11 HG22 ILE 11 12.896 1.730 2.829 68 HG23 ILE 11 HG23 ILE 11 13.813 1.959 1.340 69 HD11 ILE 11 HD11 ILE 11 12.675 2.984 -1.196 70 HD12 ILE 11 HD12 ILE 11 13.015 1.574 -2.202 71 HD13 ILE 11 HD13 ILE 11 13.909 1.823 -0.701 72 H GLY 12 H GLY 12 10.749 -0.641 3.824 73 HA2 GLY 12 HA2 GLY 12 11.284 0.228 5.998 74 HA3 GLY 12 HA3 GLY 12 10.465 1.720 5.550 75 H TYR 13 H TYR 13 8.405 -0.195 4.242 76 HA TYR 13 HA TYR 13 6.909 -0.596 6.728 77 HB2 TYR 13 HB2 TYR 13 5.876 0.941 5.012 78 HB3 TYR 13 HB3 TYR 13 5.830 -0.422 3.902 79 HD1 TYR 13 HD1 TYR 13 4.132 1.298 6.535 80 HD2 TYR 13 HD2 TYR 13 4.399 -2.476 4.597 81 HE1 TYR 13 HE1 TYR 13 1.952 0.663 7.468 82 HE2 TYR 13 HE2 TYR 13 2.219 -3.112 5.520 83 HH TYR 13 HH TYR 13 0.107 -0.932 6.880 84 H SER 14 H SER 14 6.703 -2.612 7.345 85 HA SER 14 HA SER 14 6.738 -4.730 5.328 86 HB2 SER 14 HB2 SER 14 8.117 -5.040 7.983 87 HB3 SER 14 HB3 SER 14 8.374 -5.947 6.485 88 H GLY 15 H GLY 15 4.931 -5.987 5.661 89 HA2 GLY 15 HA2 GLY 15 3.935 -7.024 7.898 90 HA3 GLY 15 HA3 GLY 15 3.329 -5.371 7.968 91 HA PRO 16 HA PRO 16 0.084 -7.316 5.532 92 HB2 PRO 16 HB2 PRO 16 -1.387 -4.808 5.841 93 HB3 PRO 16 HB3 PRO 16 -1.800 -6.409 6.458 94 HG2 PRO 16 HG2 PRO 16 -1.023 -4.366 8.070 95 HG3 PRO 16 HG3 PRO 16 -0.702 -6.069 8.443 96 HD2 PRO 16 HD2 PRO 16 1.135 -4.000 7.297 97 HD3 PRO 16 HD3 PRO 16 1.448 -5.250 8.524 98 H THR 17 H THR 17 1.099 -7.281 3.553 99 HA THR 17 HA THR 17 1.252 -4.773 2.105 100 HB THR 17 HB THR 17 2.675 -6.177 0.532 101 HG1 THR 17 HG1 THR 17 3.512 -8.084 1.550 102 HG21 THR 17 HG21 THR 17 3.622 -4.623 2.206 103 HG22 THR 17 HG22 THR 17 4.637 -6.047 2.007 104 HG23 THR 17 HG23 THR 17 3.582 -5.907 3.412 105 H VAL 18 H VAL 18 -0.798 -7.411 2.305 106 HA VAL 18 HA VAL 18 -1.460 -7.424 -0.530 107 HB VAL 18 HB VAL 18 -2.656 -9.063 1.738 108 HG11 VAL 18 HG11 VAL 18 -3.643 -10.449 -0.025 109 HG12 VAL 18 HG12 VAL 18 -3.010 -9.344 -1.245 110 HG13 VAL 18 HG13 VAL 18 -4.233 -8.788 -0.106 111 HG21 VAL 18 HG21 VAL 18 -1.372 -10.934 0.806 112 HG22 VAL 18 HG22 VAL 18 -0.312 -9.623 1.325 113 HG23 VAL 18 HG23 VAL 18 -0.661 -9.847 -0.387 114 H CYS 19 H CYS 19 -2.811 -5.961 -1.237 115 HA CYS 19 HA CYS 19 -4.377 -4.406 0.562 116 HB2 CYS 19 HB2 CYS 19 -4.291 -4.403 -2.449 117 HB3 CYS 19 HB3 CYS 19 -5.075 -3.194 -1.431 118 H ALA 20 H ALA 20 -6.629 -3.999 0.289 119 HA ALA 20 HA ALA 20 -8.158 -6.325 0.530 120 HB1 ALA 20 HB1 ALA 20 -8.635 -4.221 1.690 121 HB2 ALA 20 HB2 ALA 20 -10.033 -4.831 0.809 122 HB3 ALA 20 HB3 ALA 20 -9.092 -3.490 0.150 123 H SER 21 H SER 21 -10.318 -6.496 -0.658 124 HA SER 21 HA SER 21 -9.732 -7.368 -3.247 125 HB2 SER 21 HB2 SER 21 -11.488 -8.311 -1.730 126 HB3 SER 21 HB3 SER 21 -12.467 -6.885 -2.053 127 HG SER 21 HG SER 21 -12.475 -9.053 -3.397 128 H GLY 22 H GLY 22 -9.543 -6.256 -5.029 129 HA2 GLY 22 HA2 GLY 22 -10.473 -4.915 -6.721 130 HA3 GLY 22 HA3 GLY 22 -11.295 -3.976 -5.487 131 H THR 23 H THR 23 -8.369 -4.337 -4.177 132 HA THR 23 HA THR 23 -7.504 -1.842 -5.448 133 HB THR 23 HB THR 23 -6.641 -1.066 -3.286 134 HG1 THR 23 HG1 THR 23 -7.437 -3.663 -2.481 135 HG21 THR 23 HG21 THR 23 -8.769 -0.788 -2.120 136 HG22 THR 23 HG22 THR 23 -9.471 -2.073 -3.104 137 HG23 THR 23 HG23 THR 23 -8.956 -0.565 -3.857 138 H THR 24 H THR 24 -5.344 -1.458 -5.775 139 HA THR 24 HA THR 24 -3.632 -3.842 -5.578 140 HB THR 24 HB THR 24 -2.415 -2.856 -7.573 141 HG1 THR 24 HG1 THR 24 -4.692 -1.150 -7.496 142 HG21 THR 24 HG21 THR 24 -5.300 -3.674 -7.970 143 HG22 THR 24 HG22 THR 24 -3.926 -4.770 -7.804 144 HG23 THR 24 HG23 THR 24 -4.046 -3.714 -9.211 145 H CYS 25 H CYS 25 -1.696 -3.624 -4.593 146 HA CYS 25 HA CYS 25 -1.039 -1.202 -3.221 147 HB2 CYS 25 HB2 CYS 25 -0.490 -3.418 -2.279 148 HB3 CYS 25 HB3 CYS 25 0.585 -3.733 -3.634 149 H GLN 26 H GLN 26 -0.391 0.491 -4.437 150 HA GLN 26 HA GLN 26 1.573 -0.087 -6.532 151 HB2 GLN 26 HB2 GLN 26 -0.400 2.168 -6.362 152 HB3 GLN 26 HB3 GLN 26 0.807 1.961 -7.625 153 HG2 GLN 26 HG2 GLN 26 -0.252 -0.173 -8.242 154 HG3 GLN 26 HG3 GLN 26 -1.493 0.121 -7.025 155 HE21 GLN 26 HE21 GLN 26 -3.132 0.188 -8.460 156 HE22 GLN 26 HE22 GLN 26 -3.362 1.477 -9.587 157 H VAL 27 H VAL 27 3.375 1.072 -6.654 158 HA VAL 27 HA VAL 27 4.245 2.387 -4.275 159 HB VAL 27 HB VAL 27 5.620 1.940 -6.950 160 HG11 VAL 27 HG11 VAL 27 7.716 2.484 -5.784 161 HG12 VAL 27 HG12 VAL 27 6.784 2.936 -4.354 162 HG13 VAL 27 HG13 VAL 27 6.614 3.857 -5.842 163 HG21 VAL 27 HG21 VAL 27 5.926 0.521 -4.310 164 HG22 VAL 27 HG22 VAL 27 6.860 0.193 -5.770 165 HG23 VAL 27 HG23 VAL 27 5.122 -0.117 -5.740 166 H LEU 28 H LEU 28 3.733 4.448 -3.927 167 HA LEU 28 HA LEU 28 3.132 6.200 -6.208 168 HB2 LEU 28 HB2 LEU 28 1.638 5.806 -4.047 169 HB3 LEU 28 HB3 LEU 28 2.762 6.918 -3.318 170 HG LEU 28 HG LEU 28 1.044 7.610 -5.715 171 HD11 LEU 28 HD11 LEU 28 -0.347 8.854 -4.149 172 HD12 LEU 28 HD12 LEU 28 0.606 8.231 -2.807 173 HD13 LEU 28 HD13 LEU 28 -0.352 7.124 -3.794 174 HD21 LEU 28 HD21 LEU 28 2.602 9.377 -3.818 175 HD22 LEU 28 HD22 LEU 28 1.580 9.930 -5.143 176 HD23 LEU 28 HD23 LEU 28 3.050 9.014 -5.485 177 H ASN 29 H ASN 29 5.227 5.741 -3.459 178 HA ASN 29 HA ASN 29 7.198 7.572 -4.540 179 HB2 ASN 29 HB2 ASN 29 6.272 7.605 -1.620 180 HB3 ASN 29 HB3 ASN 29 7.688 8.414 -2.242 181 HD21 ASN 29 HD21 ASN 29 4.259 8.520 -1.948 182 HD22 ASN 29 HD22 ASN 29 4.077 10.126 -2.558 183 HA PRO 30 HA PRO 30 9.941 4.234 -3.524 184 HB2 PRO 30 HB2 PRO 30 11.379 5.948 -1.546 185 HB3 PRO 30 HB3 PRO 30 12.031 4.973 -2.869 186 HG2 PRO 30 HG2 PRO 30 11.861 7.594 -3.146 187 HG3 PRO 30 HG3 PRO 30 11.425 6.528 -4.492 188 HD2 PRO 30 HD2 PRO 30 9.663 8.038 -2.621 189 HD3 PRO 30 HD3 PRO 30 9.464 7.753 -4.361 190 H TYR 31 H TYR 31 9.090 6.050 -0.555 191 HA TYR 31 HA TYR 31 9.086 3.502 0.899 192 HB2 TYR 31 HB2 TYR 31 8.705 6.331 1.911 193 HB3 TYR 31 HB3 TYR 31 8.761 4.897 2.903 194 HD1 TYR 31 HD1 TYR 31 10.895 6.726 0.406 195 HD2 TYR 31 HD2 TYR 31 10.740 4.349 3.920 196 HE1 TYR 31 HE1 TYR 31 13.308 7.019 0.713 197 HE2 TYR 31 HE2 TYR 31 13.145 4.635 4.226 198 HH TYR 31 HH TYR 31 15.105 5.145 2.881 199 H TYR 32 H TYR 32 6.941 5.885 -0.435 200 HA TYR 32 HA TYR 32 4.748 4.812 1.135 201 HB2 TYR 32 HB2 TYR 32 5.028 7.308 0.827 202 HB3 TYR 32 HB3 TYR 32 4.580 7.043 -0.854 203 HD1 TYR 32 HD1 TYR 32 3.288 6.077 2.504 204 HD2 TYR 32 HD2 TYR 32 2.410 7.482 -1.408 205 HE1 TYR 32 HE1 TYR 32 0.921 6.257 3.108 206 HE2 TYR 32 HE2 TYR 32 0.031 7.654 -0.812 207 HH TYR 32 HH TYR 32 -1.515 6.920 0.739 208 H SER 33 H SER 33 3.782 3.073 0.394 209 HA SER 33 HA SER 33 3.033 3.060 -2.430 210 HB2 SER 33 HB2 SER 33 3.438 0.612 -0.665 211 HB3 SER 33 HB3 SER 33 3.085 0.643 -2.397 212 HG SER 33 HG SER 33 5.347 0.322 -1.632 213 H GLN 34 H GLN 34 0.859 2.671 -2.777 214 HA GLN 34 HA GLN 34 -0.793 2.523 -0.373 215 HB2 GLN 34 HB2 GLN 34 -0.657 4.846 -0.756 216 HB3 GLN 34 HB3 GLN 34 -0.818 4.668 -2.489 217 HG2 GLN 34 HG2 GLN 34 -3.145 4.108 -2.251 218 HG3 GLN 34 HG3 GLN 34 -2.985 4.093 -0.495 219 HE21 GLN 34 HE21 GLN 34 -3.051 5.991 0.615 220 HE22 GLN 34 HE22 GLN 34 -3.356 7.507 -0.118 221 H CYS 35 H CYS 35 -2.675 1.420 -0.591 222 HA CYS 35 HA CYS 35 -3.041 -0.193 -2.910 223 HB2 CYS 35 HB2 CYS 35 -4.879 0.197 -0.542 224 HB3 CYS 35 HB3 CYS 35 -4.941 -1.080 -1.741 225 H LEU 36 H LEU 36 -3.772 0.740 -4.664 226 HA LEU 36 HA LEU 36 -5.931 2.696 -4.497 227 HB2 LEU 36 HB2 LEU 36 -4.112 1.949 -6.799 228 HB3 LEU 36 HB3 LEU 36 -5.397 3.133 -6.885 229 HG LEU 36 HG LEU 36 -2.922 3.359 -5.162 230 HD11 LEU 36 HD11 LEU 36 -3.719 4.815 -7.677 231 HD12 LEU 36 HD12 LEU 36 -2.435 3.612 -7.532 232 HD13 LEU 36 HD13 LEU 36 -2.295 5.155 -6.695 233 HD21 LEU 36 HD21 LEU 36 -4.831 4.462 -4.131 234 HD22 LEU 36 HD22 LEU 36 -5.184 5.300 -5.637 235 HD23 LEU 36 HD23 LEU 36 -3.698 5.657 -4.758 236 H1 MAN 101 H1 MAN 101 10.503 -5.021 7.846 237 H2 MAN 101 H2 MAN 101 11.101 -2.528 7.188 238 H3 MAN 101 H3 MAN 101 12.527 -2.193 5.487 239 H4 MAN 101 H4 MAN 101 11.982 -3.582 3.436 240 H5 MAN 101 H5 MAN 101 9.783 -5.096 4.201 241 H61 MAN 101 H61 MAN 101 11.527 -5.789 2.606 242 H62 MAN 101 H62 MAN 101 11.076 -7.086 3.725 243 HO2 MAN 101 HO2 MAN 101 12.151 -3.928 8.668 244 HO3 MAN 101 HO3 MAN 101 13.889 -3.789 6.364 245 HO4 MAN 101 HO4 MAN 101 9.781 -2.947 3.479 246 HO6 MAN 101 HO6 MAN 101 13.089 -5.593 4.785 Start of MODEL 15 1 H1 THR 1 H1 THR 1 -7.115 -8.290 5.728 2 H2 THR 1 H2 THR 1 -5.463 -8.424 6.027 3 H3 THR 1 H3 THR 1 -6.286 -9.614 5.106 4 HA THR 1 HA THR 1 -5.016 -8.126 3.676 5 HB THR 1 HB THR 1 -7.933 -7.529 3.273 6 HG1 THR 1 HG1 THR 1 -7.222 -10.073 2.533 7 HG21 THR 1 HG21 THR 1 -5.784 -8.745 1.552 8 HG22 THR 1 HG22 THR 1 -6.245 -7.045 1.557 9 HG23 THR 1 HG23 THR 1 -7.393 -8.267 1.014 10 H GLN 2 H GLN 2 -4.487 -5.886 3.201 11 HA GLN 2 HA GLN 2 -5.359 -4.113 5.314 12 HB2 GLN 2 HB2 GLN 2 -2.967 -4.172 4.612 13 HB3 GLN 2 HB3 GLN 2 -3.447 -3.473 3.068 14 HG2 GLN 2 HG2 GLN 2 -4.359 -1.515 4.272 15 HG3 GLN 2 HG3 GLN 2 -3.794 -2.199 5.780 16 HE21 GLN 2 HE21 GLN 2 -2.028 -2.319 2.787 17 HE22 GLN 2 HE22 GLN 2 -0.792 -1.239 3.345 18 H SER 3 H SER 3 -6.326 -2.170 5.083 19 HA SER 3 HA SER 3 -8.525 -1.954 3.417 20 HB2 SER 3 HB2 SER 3 -7.031 0.040 5.023 21 HB3 SER 3 HB3 SER 3 -8.730 0.210 4.517 22 HG SER 3 HG SER 3 -8.853 -1.985 5.647 23 H HIS 4 H HIS 4 -9.031 -0.123 2.070 24 HA HIS 4 HA HIS 4 -7.202 0.541 -0.012 25 HB2 HIS 4 HB2 HIS 4 -9.744 0.360 -0.151 26 HB3 HIS 4 HB3 HIS 4 -9.828 1.854 0.759 27 HD1 HIS 4 HD1 HIS 4 -11.201 2.631 -1.392 28 HD2 HIS 4 HD2 HIS 4 -7.165 1.980 -1.996 29 HE1 HIS 4 HE1 HIS 4 -10.696 3.639 -3.627 30 HE2 HIS 4 HE2 HIS 4 -8.413 2.662 -4.087 31 H TYR 5 H TYR 5 -5.996 2.459 -0.202 32 HA TYR 5 HA TYR 5 -4.932 4.294 0.349 33 HB2 TYR 5 HB2 TYR 5 -7.351 4.852 2.075 34 HB3 TYR 5 HB3 TYR 5 -5.989 5.962 1.987 35 HD1 TYR 5 HD1 TYR 5 -5.381 6.955 -0.218 36 HD2 TYR 5 HD2 TYR 5 -8.995 4.812 0.360 37 HE1 TYR 5 HE1 TYR 5 -6.287 7.966 -2.259 38 HE2 TYR 5 HE2 TYR 5 -9.917 5.817 -1.690 39 HH TYR 5 HH TYR 5 -9.583 7.759 -3.080 40 H GLY 6 H GLY 6 -4.670 1.767 1.814 41 HA2 GLY 6 HA2 GLY 6 -3.190 2.801 4.120 42 HA3 GLY 6 HA3 GLY 6 -3.571 1.103 3.805 43 H GLN 7 H GLN 7 -0.928 2.458 4.256 44 HA GLN 7 HA GLN 7 0.396 2.393 1.763 45 HB2 GLN 7 HB2 GLN 7 1.287 3.678 3.661 46 HB3 GLN 7 HB3 GLN 7 1.507 2.193 4.574 47 HG2 GLN 7 HG2 GLN 7 3.232 1.460 3.160 48 HG3 GLN 7 HG3 GLN 7 2.912 2.700 1.955 49 HE21 GLN 7 HE21 GLN 7 5.412 2.152 3.275 50 HE22 GLN 7 HE22 GLN 7 5.815 3.559 4.164 51 H CYS 8 H CYS 8 0.621 0.597 0.666 52 HA CYS 8 HA CYS 8 0.024 -1.942 1.793 53 HB2 CYS 8 HB2 CYS 8 0.605 -2.759 -0.518 54 HB3 CYS 8 HB3 CYS 8 -0.701 -1.581 -0.401 55 H GLY 9 H GLY 9 2.999 -0.518 0.527 56 HA2 GLY 9 HA2 GLY 9 4.668 -1.900 2.229 57 HA3 GLY 9 HA3 GLY 9 4.414 -2.950 0.842 58 H GLY 10 H GLY 10 5.642 0.043 1.938 59 HA2 GLY 10 HA2 GLY 10 7.262 0.197 -0.489 60 HA3 GLY 10 HA3 GLY 10 6.889 1.584 0.546 61 H ILE 11 H ILE 11 9.466 1.306 0.223 62 HA ILE 11 HA ILE 11 10.713 -0.516 1.994 63 HB ILE 11 HB ILE 11 11.763 2.158 0.981 64 HG12 ILE 11 HG12 ILE 11 12.149 -0.637 -0.134 65 HG13 ILE 11 HG13 ILE 11 11.114 0.596 -0.831 66 HG21 ILE 11 HG21 ILE 11 13.015 1.336 2.922 67 HG22 ILE 11 HG22 ILE 11 13.995 1.227 1.460 68 HG23 ILE 11 HG23 ILE 11 13.245 -0.220 2.130 69 HD11 ILE 11 HD11 ILE 11 14.105 0.758 -0.547 70 HD12 ILE 11 HD12 ILE 11 13.070 1.992 -1.270 71 HD13 ILE 11 HD13 ILE 11 13.222 0.409 -2.031 72 H GLY 12 H GLY 12 10.576 -0.498 4.130 73 HA2 GLY 12 HA2 GLY 12 10.984 0.723 6.208 74 HA3 GLY 12 HA3 GLY 12 10.192 2.106 5.463 75 H TYR 13 H TYR 13 8.336 -0.135 4.300 76 HA TYR 13 HA TYR 13 6.541 -0.027 6.583 77 HB2 TYR 13 HB2 TYR 13 5.665 0.720 4.351 78 HB3 TYR 13 HB3 TYR 13 5.905 -0.924 3.762 79 HD1 TYR 13 HD1 TYR 13 3.951 1.194 6.043 80 HD2 TYR 13 HD2 TYR 13 4.372 -2.706 4.399 81 HE1 TYR 13 HE1 TYR 13 1.759 0.584 6.953 82 HE2 TYR 13 HE2 TYR 13 2.185 -3.334 5.287 83 HH TYR 13 HH TYR 13 -0.063 -1.168 6.338 84 H SER 14 H SER 14 6.024 -1.769 7.678 85 HA SER 14 HA SER 14 6.845 -4.394 6.701 86 HB2 SER 14 HB2 SER 14 7.309 -3.230 9.456 87 HB3 SER 14 HB3 SER 14 7.727 -4.866 8.936 88 H GLY 15 H GLY 15 4.763 -5.027 6.300 89 HA2 GLY 15 HA2 GLY 15 3.213 -5.970 8.381 90 HA3 GLY 15 HA3 GLY 15 2.560 -4.402 7.899 91 HA PRO 16 HA PRO 16 0.497 -7.481 5.238 92 HB2 PRO 16 HB2 PRO 16 -1.702 -5.571 5.223 93 HB3 PRO 16 HB3 PRO 16 -1.671 -7.222 5.835 94 HG2 PRO 16 HG2 PRO 16 -1.861 -5.081 7.479 95 HG3 PRO 16 HG3 PRO 16 -1.048 -6.584 7.949 96 HD2 PRO 16 HD2 PRO 16 0.133 -4.011 6.977 97 HD3 PRO 16 HD3 PRO 16 0.660 -5.071 8.306 98 H THR 17 H THR 17 1.471 -7.288 3.299 99 HA THR 17 HA THR 17 1.414 -4.806 1.838 100 HB THR 17 HB THR 17 2.741 -6.095 0.149 101 HG1 THR 17 HG1 THR 17 2.622 -8.187 0.293 102 HG21 THR 17 HG21 THR 17 3.856 -4.840 1.944 103 HG22 THR 17 HG22 THR 17 4.752 -6.319 1.578 104 HG23 THR 17 HG23 THR 17 3.715 -6.232 3.005 105 H VAL 18 H VAL 18 -0.524 -7.509 2.133 106 HA VAL 18 HA VAL 18 -1.461 -7.539 -0.599 107 HB VAL 18 HB VAL 18 -2.564 -9.029 1.807 108 HG11 VAL 18 HG11 VAL 18 -2.978 -9.471 -1.142 109 HG12 VAL 18 HG12 VAL 18 -4.164 -8.828 -0.006 110 HG13 VAL 18 HG13 VAL 18 -3.608 -10.495 0.147 111 HG21 VAL 18 HG21 VAL 18 -0.254 -9.666 1.399 112 HG22 VAL 18 HG22 VAL 18 -0.611 -9.940 -0.303 113 HG23 VAL 18 HG23 VAL 18 -1.334 -10.979 0.924 114 H CYS 19 H CYS 19 -2.874 -6.122 -1.289 115 HA CYS 19 HA CYS 19 -4.336 -4.495 0.584 116 HB2 CYS 19 HB2 CYS 19 -4.236 -4.368 -2.431 117 HB3 CYS 19 HB3 CYS 19 -4.926 -3.168 -1.334 118 H ALA 20 H ALA 20 -6.557 -4.161 0.508 119 HA ALA 20 HA ALA 20 -8.215 -6.320 0.566 120 HB1 ALA 20 HB1 ALA 20 -8.697 -4.160 1.586 121 HB2 ALA 20 HB2 ALA 20 -10.038 -4.726 0.599 122 HB3 ALA 20 HB3 ALA 20 -8.963 -3.464 -0.011 123 H SER 21 H SER 21 -9.810 -7.130 -0.743 124 HA SER 21 HA SER 21 -9.277 -7.543 -3.395 125 HB2 SER 21 HB2 SER 21 -11.931 -7.660 -1.958 126 HB3 SER 21 HB3 SER 21 -11.502 -8.534 -3.426 127 HG SER 21 HG SER 21 -10.255 -9.850 -2.338 128 H GLY 22 H GLY 22 -9.221 -6.041 -4.932 129 HA2 GLY 22 HA2 GLY 22 -10.559 -4.738 -6.471 130 HA3 GLY 22 HA3 GLY 22 -11.425 -4.097 -5.078 131 H THR 23 H THR 23 -8.268 -4.216 -4.137 132 HA THR 23 HA THR 23 -7.644 -1.577 -5.268 133 HB THR 23 HB THR 23 -6.756 -0.838 -3.022 134 HG1 THR 23 HG1 THR 23 -7.520 -3.450 -2.347 135 HG21 THR 23 HG21 THR 23 -8.898 -0.558 -1.896 136 HG22 THR 23 HG22 THR 23 -9.613 -1.803 -2.925 137 HG23 THR 23 HG23 THR 23 -9.069 -0.284 -3.629 138 H THR 24 H THR 24 -5.401 -1.200 -5.633 139 HA THR 24 HA THR 24 -3.775 -3.612 -5.286 140 HB THR 24 HB THR 24 -2.577 -2.840 -7.407 141 HG1 THR 24 HG1 THR 24 -5.040 -1.473 -7.772 142 HG21 THR 24 HG21 THR 24 -4.221 -3.965 -8.874 143 HG22 THR 24 HG22 THR 24 -5.417 -3.859 -7.578 144 HG23 THR 24 HG23 THR 24 -3.967 -4.836 -7.364 145 H CYS 25 H CYS 25 -1.598 -3.352 -4.910 146 HA CYS 25 HA CYS 25 -0.880 -1.029 -3.413 147 HB2 CYS 25 HB2 CYS 25 -0.064 -3.264 -2.788 148 HB3 CYS 25 HB3 CYS 25 0.750 -3.408 -4.342 149 H GLN 26 H GLN 26 -0.191 0.812 -4.359 150 HA GLN 26 HA GLN 26 1.278 0.513 -6.864 151 HB2 GLN 26 HB2 GLN 26 -0.630 2.719 -6.092 152 HB3 GLN 26 HB3 GLN 26 0.333 2.685 -7.565 153 HG2 GLN 26 HG2 GLN 26 -0.808 0.633 -8.266 154 HG3 GLN 26 HG3 GLN 26 -1.761 0.663 -6.790 155 HE21 GLN 26 HE21 GLN 26 -3.683 0.759 -7.886 156 HE22 GLN 26 HE22 GLN 26 -4.194 2.190 -8.709 157 H VAL 27 H VAL 27 3.213 1.306 -6.915 158 HA VAL 27 HA VAL 27 4.315 2.543 -4.578 159 HB VAL 27 HB VAL 27 5.605 1.894 -7.250 160 HG11 VAL 27 HG11 VAL 27 6.876 2.617 -4.606 161 HG12 VAL 27 HG12 VAL 27 6.859 3.608 -6.058 162 HG13 VAL 27 HG13 VAL 27 7.747 2.082 -6.042 163 HG21 VAL 27 HG21 VAL 27 6.552 -0.052 -6.109 164 HG22 VAL 27 HG22 VAL 27 4.787 -0.111 -6.121 165 HG23 VAL 27 HG23 VAL 27 5.649 0.356 -4.653 166 H LEU 28 H LEU 28 3.762 4.580 -4.323 167 HA LEU 28 HA LEU 28 3.512 6.388 -6.574 168 HB2 LEU 28 HB2 LEU 28 3.219 6.916 -3.611 169 HB3 LEU 28 HB3 LEU 28 2.769 8.011 -4.901 170 HG LEU 28 HG LEU 28 1.459 5.353 -4.308 171 HD11 LEU 28 HD11 LEU 28 -0.472 6.707 -3.682 172 HD12 LEU 28 HD12 LEU 28 0.483 8.172 -3.903 173 HD13 LEU 28 HD13 LEU 28 0.919 7.011 -2.642 174 HD21 LEU 28 HD21 LEU 28 0.786 7.460 -6.346 175 HD22 LEU 28 HD22 LEU 28 -0.195 6.044 -5.973 176 HD23 LEU 28 HD23 LEU 28 1.411 5.844 -6.687 177 H ASN 29 H ASN 29 5.452 6.000 -3.667 178 HA ASN 29 HA ASN 29 7.561 7.700 -4.803 179 HB2 ASN 29 HB2 ASN 29 6.663 7.626 -1.886 180 HB3 ASN 29 HB3 ASN 29 7.980 8.576 -2.528 181 HD21 ASN 29 HD21 ASN 29 5.590 9.399 -1.090 182 HD22 ASN 29 HD22 ASN 29 4.789 10.541 -2.099 183 HA PRO 30 HA PRO 30 10.277 4.325 -3.808 184 HB2 PRO 30 HB2 PRO 30 11.741 5.851 -1.711 185 HB3 PRO 30 HB3 PRO 30 12.377 5.027 -3.137 186 HG2 PRO 30 HG2 PRO 30 12.218 7.669 -3.071 187 HG3 PRO 30 HG3 PRO 30 11.824 6.778 -4.552 188 HD2 PRO 30 HD2 PRO 30 9.999 8.032 -2.547 189 HD3 PRO 30 HD3 PRO 30 9.847 7.984 -4.313 190 H TYR 31 H TYR 31 9.454 6.044 -0.804 191 HA TYR 31 HA TYR 31 9.403 3.467 0.577 192 HB2 TYR 31 HB2 TYR 31 9.100 6.246 1.741 193 HB3 TYR 31 HB3 TYR 31 9.360 4.755 2.629 194 HD1 TYR 31 HD1 TYR 31 10.969 7.350 0.568 195 HD2 TYR 31 HD2 TYR 31 11.590 3.747 2.742 196 HE1 TYR 31 HE1 TYR 31 13.383 7.739 0.509 197 HE2 TYR 31 HE2 TYR 31 14.014 4.127 2.684 198 HH TYR 31 HH TYR 31 15.380 7.106 1.742 199 H TYR 32 H TYR 32 7.323 5.963 -0.638 200 HA TYR 32 HA TYR 32 5.091 4.959 0.931 201 HB2 TYR 32 HB2 TYR 32 5.497 7.440 0.631 202 HB3 TYR 32 HB3 TYR 32 4.960 7.224 -1.036 203 HD1 TYR 32 HD1 TYR 32 3.877 6.392 2.397 204 HD2 TYR 32 HD2 TYR 32 2.694 7.629 -1.494 205 HE1 TYR 32 HE1 TYR 32 1.594 6.667 3.199 206 HE2 TYR 32 HE2 TYR 32 0.379 7.910 -0.682 207 HH TYR 32 HH TYR 32 -1.041 7.115 1.165 208 H SER 33 H SER 33 4.018 3.328 0.180 209 HA SER 33 HA SER 33 3.198 3.342 -2.615 210 HB2 SER 33 HB2 SER 33 4.115 0.882 -1.070 211 HB3 SER 33 HB3 SER 33 3.636 0.942 -2.769 212 HG SER 33 HG SER 33 5.505 2.755 -2.458 213 H GLN 34 H GLN 34 0.981 3.014 -2.713 214 HA GLN 34 HA GLN 34 -0.317 2.251 -0.198 215 HB2 GLN 34 HB2 GLN 34 -0.313 4.619 -0.144 216 HB3 GLN 34 HB3 GLN 34 -0.821 4.771 -1.807 217 HG2 GLN 34 HG2 GLN 34 -3.012 3.875 -1.201 218 HG3 GLN 34 HG3 GLN 34 -2.480 3.691 0.467 219 HE21 GLN 34 HE21 GLN 34 -2.339 5.504 1.774 220 HE22 GLN 34 HE22 GLN 34 -3.004 7.015 1.307 221 H CYS 35 H CYS 35 -2.351 1.277 -0.352 222 HA CYS 35 HA CYS 35 -2.915 -0.095 -2.785 223 HB2 CYS 35 HB2 CYS 35 -4.674 0.090 -0.329 224 HB3 CYS 35 HB3 CYS 35 -4.691 -1.102 -1.594 225 H LEU 36 H LEU 36 -3.872 0.896 -4.394 226 HA LEU 36 HA LEU 36 -5.986 2.833 -3.858 227 HB2 LEU 36 HB2 LEU 36 -4.131 2.622 -6.239 228 HB3 LEU 36 HB3 LEU 36 -5.470 3.745 -6.109 229 HG LEU 36 HG LEU 36 -3.002 3.743 -4.355 230 HD11 LEU 36 HD11 LEU 36 -2.457 5.829 -5.505 231 HD12 LEU 36 HD12 LEU 36 -3.842 5.593 -6.577 232 HD13 LEU 36 HD13 LEU 36 -2.495 4.454 -6.607 233 HD21 LEU 36 HD21 LEU 36 -3.862 5.883 -3.518 234 HD22 LEU 36 HD22 LEU 36 -4.955 4.561 -3.143 235 HD23 LEU 36 HD23 LEU 36 -5.333 5.667 -4.467 236 H1 MAN 101 H1 MAN 101 10.689 -2.497 8.573 237 H2 MAN 101 H2 MAN 101 9.122 -4.307 10.513 238 H3 MAN 101 H3 MAN 101 9.541 -2.720 12.076 239 H4 MAN 101 H4 MAN 101 11.937 -1.896 10.372 240 H5 MAN 101 H5 MAN 101 9.468 -0.239 11.106 241 H61 MAN 101 H61 MAN 101 11.259 1.013 10.053 242 H62 MAN 101 H62 MAN 101 9.926 0.816 8.904 243 HO2 MAN 101 HO2 MAN 101 11.264 -4.986 10.822 244 HO3 MAN 101 HO3 MAN 101 11.612 -3.214 12.973 245 HO4 MAN 101 HO4 MAN 101 12.085 -0.230 11.968 246 HO6 MAN 101 HO6 MAN 101 12.335 0.278 8.327 Start of MODEL 16 1 H1 THR 1 H1 THR 1 -5.289 -8.710 5.088 2 H2 THR 1 H2 THR 1 -6.117 -9.683 3.964 3 H3 THR 1 H3 THR 1 -6.942 -8.492 4.844 4 HA THR 1 HA THR 1 -4.849 -7.915 2.910 5 HB THR 1 HB THR 1 -6.807 -6.950 1.646 6 HG1 THR 1 HG1 THR 1 -8.879 -7.959 2.235 7 HG21 THR 1 HG21 THR 1 -5.788 -9.067 0.950 8 HG22 THR 1 HG22 THR 1 -7.530 -9.099 0.690 9 HG23 THR 1 HG23 THR 1 -6.827 -9.947 2.069 10 H GLN 2 H GLN 2 -4.628 -5.602 2.587 11 HA GLN 2 HA GLN 2 -5.292 -4.146 5.013 12 HB2 GLN 2 HB2 GLN 2 -2.947 -4.166 4.008 13 HB3 GLN 2 HB3 GLN 2 -3.599 -3.135 2.740 14 HG2 GLN 2 HG2 GLN 2 -4.367 -1.568 4.537 15 HG3 GLN 2 HG3 GLN 2 -3.452 -2.546 5.674 16 HE21 GLN 2 HE21 GLN 2 -1.250 -3.014 3.756 17 HE22 GLN 2 HE22 GLN 2 -0.500 -1.453 3.682 18 H SER 3 H SER 3 -6.077 -1.976 4.911 19 HA SER 3 HA SER 3 -8.444 -1.578 3.548 20 HB2 SER 3 HB2 SER 3 -6.644 0.368 4.929 21 HB3 SER 3 HB3 SER 3 -8.405 0.478 4.765 22 HG SER 3 HG SER 3 -7.961 -0.319 6.769 23 H HIS 4 H HIS 4 -8.945 0.336 2.278 24 HA HIS 4 HA HIS 4 -7.115 0.860 0.099 25 HB2 HIS 4 HB2 HIS 4 -9.636 0.595 -0.158 26 HB3 HIS 4 HB3 HIS 4 -9.821 2.086 0.736 27 HD1 HIS 4 HD1 HIS 4 -10.860 3.453 -1.080 28 HD2 HIS 4 HD2 HIS 4 -7.319 1.687 -2.282 29 HE1 HIS 4 HE1 HIS 4 -10.416 4.356 -3.378 30 HE2 HIS 4 HE2 HIS 4 -8.506 2.954 -4.191 31 H TYR 5 H TYR 5 -5.895 2.715 -0.079 32 HA TYR 5 HA TYR 5 -4.806 4.533 0.484 33 HB2 TYR 5 HB2 TYR 5 -7.352 5.281 1.893 34 HB3 TYR 5 HB3 TYR 5 -5.924 6.301 2.037 35 HD1 TYR 5 HD1 TYR 5 -8.631 5.204 -0.157 36 HD2 TYR 5 HD2 TYR 5 -5.027 7.432 0.075 37 HE1 TYR 5 HE1 TYR 5 -9.167 6.303 -2.288 38 HE2 TYR 5 HE2 TYR 5 -5.551 8.526 -2.040 39 HH TYR 5 HH TYR 5 -8.596 8.402 -3.439 40 H GLY 6 H GLY 6 -3.715 2.681 1.455 41 HA2 GLY 6 HA2 GLY 6 -2.636 3.644 3.927 42 HA3 GLY 6 HA3 GLY 6 -3.273 1.990 3.948 43 H GLN 7 H GLN 7 -0.540 2.640 4.275 44 HA GLN 7 HA GLN 7 0.772 2.263 1.764 45 HB2 GLN 7 HB2 GLN 7 1.826 3.613 3.506 46 HB3 GLN 7 HB3 GLN 7 1.836 2.237 4.594 47 HG2 GLN 7 HG2 GLN 7 3.447 1.105 3.220 48 HG3 GLN 7 HG3 GLN 7 3.378 2.371 2.000 49 HE21 GLN 7 HE21 GLN 7 5.666 2.842 2.236 50 HE22 GLN 7 HE22 GLN 7 6.230 3.591 3.667 51 H CYS 8 H CYS 8 0.732 0.421 0.816 52 HA CYS 8 HA CYS 8 0.001 -2.018 2.071 53 HB2 CYS 8 HB2 CYS 8 0.557 -2.979 -0.196 54 HB3 CYS 8 HB3 CYS 8 -0.672 -1.716 -0.162 55 H GLY 9 H GLY 9 2.997 -0.855 0.667 56 HA2 GLY 9 HA2 GLY 9 4.627 -2.199 2.483 57 HA3 GLY 9 HA3 GLY 9 4.453 -3.172 1.023 58 H GLY 10 H GLY 10 5.543 -0.216 2.343 59 HA2 GLY 10 HA2 GLY 10 6.998 0.257 -0.145 60 HA3 GLY 10 HA3 GLY 10 6.579 1.520 1.017 61 H ILE 11 H ILE 11 9.130 1.383 0.367 62 HA ILE 11 HA ILE 11 10.722 -0.355 1.908 63 HB ILE 11 HB ILE 11 11.409 2.464 0.999 64 HG12 ILE 11 HG12 ILE 11 11.889 -0.176 -0.402 65 HG13 ILE 11 HG13 ILE 11 10.679 1.009 -0.872 66 HG21 ILE 11 HG21 ILE 11 12.944 1.584 2.701 67 HG22 ILE 11 HG22 ILE 11 13.744 1.699 1.134 68 HG23 ILE 11 HG23 ILE 11 13.192 0.132 1.728 69 HD11 ILE 11 HD11 ILE 11 12.474 2.614 -1.366 70 HD12 ILE 11 HD12 ILE 11 12.622 1.135 -2.314 71 HD13 ILE 11 HD13 ILE 11 13.669 1.395 -0.918 72 H GLY 12 H GLY 12 10.662 -0.488 4.028 73 HA2 GLY 12 HA2 GLY 12 11.297 0.481 6.131 74 HA3 GLY 12 HA3 GLY 12 10.541 1.985 5.622 75 H TYR 13 H TYR 13 8.402 -0.080 4.498 76 HA TYR 13 HA TYR 13 6.894 -0.098 7.000 77 HB2 TYR 13 HB2 TYR 13 5.775 1.134 5.200 78 HB3 TYR 13 HB3 TYR 13 5.905 -0.263 4.140 79 HD1 TYR 13 HD1 TYR 13 4.093 1.210 6.976 80 HD2 TYR 13 HD2 TYR 13 4.426 -2.213 4.464 81 HE1 TYR 13 HE1 TYR 13 1.922 0.391 7.795 82 HE2 TYR 13 HE2 TYR 13 2.272 -3.031 5.262 83 HH TYR 13 HH TYR 13 0.109 -1.129 6.963 84 H SER 14 H SER 14 6.352 -1.972 7.887 85 HA SER 14 HA SER 14 6.457 -4.363 6.226 86 HB2 SER 14 HB2 SER 14 7.231 -4.177 9.145 87 HB3 SER 14 HB3 SER 14 7.348 -5.617 8.143 88 H GLY 15 H GLY 15 4.558 -5.496 6.267 89 HA2 GLY 15 HA2 GLY 15 2.903 -5.952 8.353 90 HA3 GLY 15 HA3 GLY 15 2.386 -4.384 7.739 91 HA PRO 16 HA PRO 16 0.063 -7.532 5.323 92 HB2 PRO 16 HB2 PRO 16 -2.042 -5.508 5.244 93 HB3 PRO 16 HB3 PRO 16 -2.102 -7.138 5.915 94 HG2 PRO 16 HG2 PRO 16 -2.152 -4.905 7.455 95 HG3 PRO 16 HG3 PRO 16 -1.473 -6.448 8.000 96 HD2 PRO 16 HD2 PRO 16 -0.070 -4.002 7.011 97 HD3 PRO 16 HD3 PRO 16 0.380 -5.109 8.326 98 H THR 17 H THR 17 1.229 -7.373 3.468 99 HA THR 17 HA THR 17 1.345 -4.964 1.950 100 HB THR 17 HB THR 17 2.656 -6.471 0.380 101 HG1 THR 17 HG1 THR 17 3.129 -8.302 2.372 102 HG21 THR 17 HG21 THR 17 4.614 -6.483 1.880 103 HG22 THR 17 HG22 THR 17 3.539 -6.190 3.255 104 HG23 THR 17 HG23 THR 17 3.716 -4.968 2.003 105 H VAL 18 H VAL 18 -0.615 -7.747 1.965 106 HA VAL 18 HA VAL 18 -1.473 -7.427 -0.788 107 HB VAL 18 HB VAL 18 -2.573 -9.285 1.352 108 HG11 VAL 18 HG11 VAL 18 -4.131 -8.898 -0.494 109 HG12 VAL 18 HG12 VAL 18 -3.512 -10.550 -0.522 110 HG13 VAL 18 HG13 VAL 18 -2.881 -9.356 -1.652 111 HG21 VAL 18 HG21 VAL 18 -1.220 -11.045 0.272 112 HG22 VAL 18 HG22 VAL 18 -0.218 -9.762 0.948 113 HG23 VAL 18 HG23 VAL 18 -0.512 -9.827 -0.786 114 H CYS 19 H CYS 19 -3.086 -6.101 -1.304 115 HA CYS 19 HA CYS 19 -4.489 -4.786 0.857 116 HB2 CYS 19 HB2 CYS 19 -4.608 -4.157 -2.100 117 HB3 CYS 19 HB3 CYS 19 -5.030 -3.138 -0.723 118 H ALA 20 H ALA 20 -6.850 -4.333 0.533 119 HA ALA 20 HA ALA 20 -8.376 -6.665 0.379 120 HB1 ALA 20 HB1 ALA 20 -9.064 -4.649 1.597 121 HB2 ALA 20 HB2 ALA 20 -10.313 -5.185 0.473 122 HB3 ALA 20 HB3 ALA 20 -9.294 -3.806 0.065 123 H SER 21 H SER 21 -10.115 -7.186 -1.117 124 HA SER 21 HA SER 21 -9.250 -7.440 -3.744 125 HB2 SER 21 HB2 SER 21 -12.093 -7.578 -2.723 126 HB3 SER 21 HB3 SER 21 -11.408 -8.409 -4.122 127 HG SER 21 HG SER 21 -11.622 -9.385 -1.790 128 H GLY 22 H GLY 22 -9.160 -5.913 -5.282 129 HA2 GLY 22 HA2 GLY 22 -10.354 -4.340 -6.680 130 HA3 GLY 22 HA3 GLY 22 -11.149 -3.746 -5.233 131 H THR 23 H THR 23 -8.448 -4.045 -3.849 132 HA THR 23 HA THR 23 -7.387 -1.495 -4.839 133 HB THR 23 HB THR 23 -6.541 -1.066 -2.503 134 HG1 THR 23 HG1 THR 23 -7.461 -3.686 -2.165 135 HG21 THR 23 HG21 THR 23 -8.683 -0.798 -1.391 136 HG22 THR 23 HG22 THR 23 -9.443 -1.886 -2.551 137 HG23 THR 23 HG23 THR 23 -8.812 -0.325 -3.085 138 H THR 24 H THR 24 -5.203 -1.301 -5.172 139 HA THR 24 HA THR 24 -3.692 -3.817 -5.078 140 HB THR 24 HB THR 24 -2.564 -2.966 -7.180 141 HG1 THR 24 HG1 THR 24 -4.613 -1.032 -6.896 142 HG21 THR 24 HG21 THR 24 -4.363 -3.746 -8.664 143 HG22 THR 24 HG22 THR 24 -5.523 -3.575 -7.348 144 HG23 THR 24 HG23 THR 24 -4.235 -4.772 -7.238 145 H CYS 25 H CYS 25 -1.504 -3.637 -4.616 146 HA CYS 25 HA CYS 25 -0.683 -1.331 -3.149 147 HB2 CYS 25 HB2 CYS 25 0.028 -3.627 -2.521 148 HB3 CYS 25 HB3 CYS 25 0.887 -3.772 -4.048 149 H GLN 26 H GLN 26 -0.195 0.480 -4.266 150 HA GLN 26 HA GLN 26 1.385 0.164 -6.719 151 HB2 GLN 26 HB2 GLN 26 -0.560 2.352 -6.001 152 HB3 GLN 26 HB3 GLN 26 0.422 2.308 -7.459 153 HG2 GLN 26 HG2 GLN 26 -0.720 0.268 -8.162 154 HG3 GLN 26 HG3 GLN 26 -1.712 0.319 -6.708 155 HE21 GLN 26 HE21 GLN 26 -3.593 0.474 -7.840 156 HE22 GLN 26 HE22 GLN 26 -4.086 1.879 -8.694 157 H VAL 27 H VAL 27 3.271 1.125 -6.806 158 HA VAL 27 HA VAL 27 4.299 2.495 -4.500 159 HB VAL 27 HB VAL 27 5.554 2.086 -7.240 160 HG11 VAL 27 HG11 VAL 27 7.691 2.494 -6.109 161 HG12 VAL 27 HG12 VAL 27 6.829 2.816 -4.604 162 HG13 VAL 27 HG13 VAL 27 6.620 3.890 -5.986 163 HG21 VAL 27 HG21 VAL 27 5.005 -0.043 -6.170 164 HG22 VAL 27 HG22 VAL 27 5.868 0.459 -4.718 165 HG23 VAL 27 HG23 VAL 27 6.751 0.206 -6.227 166 H LEU 28 H LEU 28 3.710 4.519 -4.150 167 HA LEU 28 HA LEU 28 2.970 6.242 -6.393 168 HB2 LEU 28 HB2 LEU 28 2.796 6.793 -3.430 169 HB3 LEU 28 HB3 LEU 28 2.109 7.755 -4.721 170 HG LEU 28 HG LEU 28 1.223 5.003 -3.866 171 HD11 LEU 28 HD11 LEU 28 -0.101 7.702 -3.707 172 HD12 LEU 28 HD12 LEU 28 0.527 6.760 -2.353 173 HD13 LEU 28 HD13 LEU 28 -0.850 6.169 -3.279 174 HD21 LEU 28 HD21 LEU 28 1.023 5.252 -6.276 175 HD22 LEU 28 HD22 LEU 28 0.157 6.783 -6.038 176 HD23 LEU 28 HD23 LEU 28 -0.559 5.262 -5.490 177 H ASN 29 H ASN 29 5.159 6.063 -3.675 178 HA ASN 29 HA ASN 29 6.875 8.118 -4.860 179 HB2 ASN 29 HB2 ASN 29 6.190 7.787 -1.903 180 HB3 ASN 29 HB3 ASN 29 7.384 8.887 -2.559 181 HD21 ASN 29 HD21 ASN 29 4.984 9.427 -0.937 182 HD22 ASN 29 HD22 ASN 29 4.077 10.550 -1.863 183 HA PRO 30 HA PRO 30 10.197 5.203 -4.400 184 HB2 PRO 30 HB2 PRO 30 11.440 6.937 -2.300 185 HB3 PRO 30 HB3 PRO 30 12.183 6.197 -3.723 186 HG2 PRO 30 HG2 PRO 30 11.582 8.761 -3.786 187 HG3 PRO 30 HG3 PRO 30 11.218 7.739 -5.190 188 HD2 PRO 30 HD2 PRO 30 9.381 8.792 -3.083 189 HD3 PRO 30 HD3 PRO 30 9.092 8.637 -4.826 190 H TYR 31 H TYR 31 9.243 6.469 -1.191 191 HA TYR 31 HA TYR 31 9.664 3.761 -0.128 192 HB2 TYR 31 HB2 TYR 31 9.310 6.385 1.335 193 HB3 TYR 31 HB3 TYR 31 9.500 4.826 2.110 194 HD1 TYR 31 HD1 TYR 31 11.640 3.938 2.512 195 HD2 TYR 31 HD2 TYR 31 11.246 7.289 -0.069 196 HE1 TYR 31 HE1 TYR 31 14.078 4.204 2.497 197 HE2 TYR 31 HE2 TYR 31 13.685 7.562 -0.088 198 HH TYR 31 HH TYR 31 15.800 5.166 1.169 199 H TYR 32 H TYR 32 7.204 6.086 -0.863 200 HA TYR 32 HA TYR 32 5.333 4.635 0.807 201 HB2 TYR 32 HB2 TYR 32 5.343 7.165 0.775 202 HB3 TYR 32 HB3 TYR 32 4.631 7.053 -0.836 203 HD1 TYR 32 HD1 TYR 32 2.271 6.800 -1.089 204 HD2 TYR 32 HD2 TYR 32 4.128 5.978 2.662 205 HE1 TYR 32 HE1 TYR 32 0.071 6.530 -0.039 206 HE2 TYR 32 HE2 TYR 32 1.929 5.699 3.698 207 HH TYR 32 HH TYR 32 -0.364 6.421 3.303 208 H SER 33 H SER 33 4.358 2.959 0.067 209 HA SER 33 HA SER 33 3.327 3.008 -2.668 210 HB2 SER 33 HB2 SER 33 4.136 0.574 -1.030 211 HB3 SER 33 HB3 SER 33 3.661 0.596 -2.731 212 HG SER 33 HG SER 33 5.608 2.303 -2.574 213 H GLN 34 H GLN 34 1.087 2.655 -2.749 214 HA GLN 34 HA GLN 34 -0.226 2.248 -0.144 215 HB2 GLN 34 HB2 GLN 34 -0.119 4.604 -0.542 216 HB3 GLN 34 HB3 GLN 34 -0.764 4.412 -2.164 217 HG2 GLN 34 HG2 GLN 34 -2.912 3.762 -1.256 218 HG3 GLN 34 HG3 GLN 34 -2.271 3.836 0.383 219 HE21 GLN 34 HE21 GLN 34 -1.905 5.852 1.329 220 HE22 GLN 34 HE22 GLN 34 -2.544 7.294 0.672 221 H CYS 35 H CYS 35 -2.227 1.255 -0.176 222 HA CYS 35 HA CYS 35 -2.887 -0.311 -2.455 223 HB2 CYS 35 HB2 CYS 35 -4.454 0.105 0.104 224 HB3 CYS 35 HB3 CYS 35 -4.714 -1.110 -1.119 225 H LEU 36 H LEU 36 -3.696 0.699 -4.113 226 HA LEU 36 HA LEU 36 -5.977 2.490 -3.740 227 HB2 LEU 36 HB2 LEU 36 -3.965 2.366 -5.993 228 HB3 LEU 36 HB3 LEU 36 -5.431 3.322 -6.043 229 HG LEU 36 HG LEU 36 -3.119 3.732 -4.141 230 HD11 LEU 36 HD11 LEU 36 -2.604 4.380 -6.431 231 HD12 LEU 36 HD12 LEU 36 -2.771 5.797 -5.395 232 HD13 LEU 36 HD13 LEU 36 -4.073 5.351 -6.492 233 HD21 LEU 36 HD21 LEU 36 -4.310 5.781 -3.498 234 HD22 LEU 36 HD22 LEU 36 -5.230 4.339 -3.091 235 HD23 LEU 36 HD23 LEU 36 -5.676 5.300 -4.502 236 H1 MAN 101 H1 MAN 101 8.380 -3.880 5.767 237 H2 MAN 101 H2 MAN 101 8.404 -6.461 6.742 238 H3 MAN 101 H3 MAN 101 10.372 -7.623 6.307 239 H4 MAN 101 H4 MAN 101 12.301 -6.351 7.163 240 H5 MAN 101 H5 MAN 101 11.541 -3.818 7.751 241 H61 MAN 101 H61 MAN 101 12.854 -3.061 5.852 242 H62 MAN 101 H62 MAN 101 12.650 -4.627 5.021 243 HO2 MAN 101 HO2 MAN 101 9.234 -5.564 4.205 244 HO3 MAN 101 HO3 MAN 101 11.969 -6.818 4.863 245 HO4 MAN 101 HO4 MAN 101 11.265 -5.574 9.049 246 HO6 MAN 101 HO6 MAN 101 14.603 -4.779 6.028 Start of MODEL 17 1 H1 THR 1 H1 THR 1 -5.663 -8.050 6.290 2 H2 THR 1 H2 THR 1 -4.006 -7.861 6.075 3 H3 THR 1 H3 THR 1 -4.820 -9.232 5.467 4 HA THR 1 HA THR 1 -4.390 -7.631 3.702 5 HB THR 1 HB THR 1 -7.321 -7.921 4.378 6 HG1 THR 1 HG1 THR 1 -6.659 -10.094 3.174 7 HG21 THR 1 HG21 THR 1 -5.773 -8.251 1.801 8 HG22 THR 1 HG22 THR 1 -6.718 -6.833 2.243 9 HG23 THR 1 HG23 THR 1 -7.521 -8.380 1.981 10 H GLN 2 H GLN 2 -4.368 -5.429 3.199 11 HA GLN 2 HA GLN 2 -5.322 -3.721 5.382 12 HB2 GLN 2 HB2 GLN 2 -2.896 -3.755 4.525 13 HB3 GLN 2 HB3 GLN 2 -3.544 -2.834 3.175 14 HG2 GLN 2 HG2 GLN 2 -4.376 -1.133 4.761 15 HG3 GLN 2 HG3 GLN 2 -3.650 -2.042 6.081 16 HE21 GLN 2 HE21 GLN 2 -2.236 -1.596 2.903 17 HE22 GLN 2 HE22 GLN 2 -0.925 -0.650 3.488 18 H SER 3 H SER 3 -6.228 -1.660 4.919 19 HA SER 3 HA SER 3 -8.427 -1.725 3.169 20 HB2 SER 3 HB2 SER 3 -7.246 0.494 4.775 21 HB3 SER 3 HB3 SER 3 -8.934 0.362 4.238 22 HG SER 3 HG SER 3 -9.162 -1.427 5.597 23 H HIS 4 H HIS 4 -8.958 0.027 1.761 24 HA HIS 4 HA HIS 4 -7.165 0.793 -0.273 25 HB2 HIS 4 HB2 HIS 4 -9.696 0.591 -0.404 26 HB3 HIS 4 HB3 HIS 4 -9.802 2.027 0.579 27 HD1 HIS 4 HD1 HIS 4 -11.010 3.453 -1.117 28 HD2 HIS 4 HD2 HIS 4 -7.489 1.850 -2.602 29 HE1 HIS 4 HE1 HIS 4 -10.713 4.481 -3.384 30 HE2 HIS 4 HE2 HIS 4 -8.699 3.398 -4.338 31 H TYR 5 H TYR 5 -5.965 2.691 -0.493 32 HA TYR 5 HA TYR 5 -4.955 4.616 -0.073 33 HB2 TYR 5 HB2 TYR 5 -7.207 5.100 1.851 34 HB3 TYR 5 HB3 TYR 5 -5.875 6.241 1.678 35 HD1 TYR 5 HD1 TYR 5 -9.071 5.264 0.520 36 HD2 TYR 5 HD2 TYR 5 -5.472 7.127 -0.732 37 HE1 TYR 5 HE1 TYR 5 -10.268 6.313 -1.345 38 HE2 TYR 5 HE2 TYR 5 -6.658 8.180 -2.607 39 HH TYR 5 HH TYR 5 -8.650 7.797 -3.924 40 H GLY 6 H GLY 6 -4.744 2.097 1.809 41 HA2 GLY 6 HA2 GLY 6 -3.098 3.432 3.804 42 HA3 GLY 6 HA3 GLY 6 -3.526 1.712 3.815 43 H GLN 7 H GLN 7 -0.915 2.820 4.152 44 HA GLN 7 HA GLN 7 0.565 2.572 1.731 45 HB2 GLN 7 HB2 GLN 7 1.473 3.857 3.614 46 HB3 GLN 7 HB3 GLN 7 1.480 2.415 4.616 47 HG2 GLN 7 HG2 GLN 7 3.138 1.394 3.108 48 HG3 GLN 7 HG3 GLN 7 3.166 2.871 2.151 49 HE21 GLN 7 HE21 GLN 7 5.441 3.185 2.601 50 HE22 GLN 7 HE22 GLN 7 5.935 3.645 4.166 51 H CYS 8 H CYS 8 0.609 0.738 0.697 52 HA CYS 8 HA CYS 8 0.016 -1.743 1.985 53 HB2 CYS 8 HB2 CYS 8 0.382 -2.693 -0.298 54 HB3 CYS 8 HB3 CYS 8 -0.861 -1.454 -0.170 55 H GLY 9 H GLY 9 2.933 -0.297 0.665 56 HA2 GLY 9 HA2 GLY 9 4.666 -1.635 2.288 57 HA3 GLY 9 HA3 GLY 9 4.362 -2.747 0.963 58 H GLY 10 H GLY 10 5.837 0.150 1.961 59 HA2 GLY 10 HA2 GLY 10 7.203 0.282 -0.623 60 HA3 GLY 10 HA3 GLY 10 7.048 1.635 0.506 61 H ILE 11 H ILE 11 9.488 1.499 0.159 62 HA ILE 11 HA ILE 11 10.931 -0.597 1.388 63 HB ILE 11 HB ILE 11 11.784 2.296 0.981 64 HG12 ILE 11 HG12 ILE 11 12.196 -0.097 -0.831 65 HG13 ILE 11 HG13 ILE 11 11.039 1.190 -1.115 66 HG21 ILE 11 HG21 ILE 11 13.437 -0.201 1.375 67 HG22 ILE 11 HG22 ILE 11 13.227 1.096 2.550 68 HG23 ILE 11 HG23 ILE 11 14.074 1.407 1.033 69 HD11 ILE 11 HD11 ILE 11 13.035 1.468 -2.476 70 HD12 ILE 11 HD12 ILE 11 14.033 1.497 -1.021 71 HD13 ILE 11 HD13 ILE 11 12.871 2.792 -1.320 72 H GLY 12 H GLY 12 10.930 -1.074 3.496 73 HA2 GLY 12 HA2 GLY 12 11.527 -0.525 5.739 74 HA3 GLY 12 HA3 GLY 12 11.017 1.128 5.436 75 H TYR 13 H TYR 13 8.679 -0.692 4.102 76 HA TYR 13 HA TYR 13 7.096 -0.504 6.548 77 HB2 TYR 13 HB2 TYR 13 6.130 0.632 4.608 78 HB3 TYR 13 HB3 TYR 13 6.174 -0.847 3.669 79 HD1 TYR 13 HD1 TYR 13 4.554 -2.702 4.214 80 HD2 TYR 13 HD2 TYR 13 4.397 1.049 6.211 81 HE1 TYR 13 HE1 TYR 13 2.288 -3.226 5.007 82 HE2 TYR 13 HE2 TYR 13 2.134 0.529 7.014 83 HH TYR 13 HH TYR 13 0.203 -1.002 6.100 84 H SER 14 H SER 14 6.468 -2.253 7.586 85 HA SER 14 HA SER 14 6.442 -4.786 6.189 86 HB2 SER 14 HB2 SER 14 7.435 -5.815 8.269 87 HB3 SER 14 HB3 SER 14 8.550 -4.781 7.372 88 H GLY 15 H GLY 15 4.642 -5.950 6.680 89 HA2 GLY 15 HA2 GLY 15 3.103 -6.186 8.810 90 HA3 GLY 15 HA3 GLY 15 2.647 -4.581 8.235 91 HA PRO 16 HA PRO 16 0.043 -7.320 5.737 92 HB2 PRO 16 HB2 PRO 16 -1.911 -5.215 5.616 93 HB3 PRO 16 HB3 PRO 16 -2.028 -6.751 6.468 94 HG2 PRO 16 HG2 PRO 16 -1.845 -4.281 7.692 95 HG3 PRO 16 HG3 PRO 16 -1.426 -5.818 8.461 96 HD2 PRO 16 HD2 PRO 16 0.349 -3.742 7.261 97 HD3 PRO 16 HD3 PRO 16 0.614 -4.782 8.681 98 H THR 17 H THR 17 1.234 -7.233 3.872 99 HA THR 17 HA THR 17 1.404 -4.789 2.355 100 HB THR 17 HB THR 17 2.812 -6.379 0.880 101 HG1 THR 17 HG1 THR 17 2.877 -8.366 1.563 102 HG21 THR 17 HG21 THR 17 3.768 -4.644 2.340 103 HG22 THR 17 HG22 THR 17 4.748 -6.110 2.377 104 HG23 THR 17 HG23 THR 17 3.656 -5.741 3.716 105 H VAL 18 H VAL 18 -0.676 -7.438 2.493 106 HA VAL 18 HA VAL 18 -1.336 -7.246 -0.336 107 HB VAL 18 HB VAL 18 -2.473 -9.101 1.789 108 HG11 VAL 18 HG11 VAL 18 -3.471 -10.338 -0.084 109 HG12 VAL 18 HG12 VAL 18 -2.877 -9.117 -1.208 110 HG13 VAL 18 HG13 VAL 18 -4.086 -8.687 -0.000 111 HG21 VAL 18 HG21 VAL 18 -1.184 -10.852 0.653 112 HG22 VAL 18 HG22 VAL 18 -0.133 -9.590 1.297 113 HG23 VAL 18 HG23 VAL 18 -0.496 -9.644 -0.428 114 H CYS 19 H CYS 19 -2.845 -5.920 -0.985 115 HA CYS 19 HA CYS 19 -4.495 -4.545 0.946 116 HB2 CYS 19 HB2 CYS 19 -4.406 -4.238 -2.066 117 HB3 CYS 19 HB3 CYS 19 -5.083 -3.116 -0.887 118 H ALA 20 H ALA 20 -6.844 -4.362 0.509 119 HA ALA 20 HA ALA 20 -8.095 -6.857 0.247 120 HB1 ALA 20 HB1 ALA 20 -10.188 -5.579 0.252 121 HB2 ALA 20 HB2 ALA 20 -9.283 -4.095 -0.038 122 HB3 ALA 20 HB3 ALA 20 -9.075 -4.971 1.480 123 H SER 21 H SER 21 -9.209 -7.794 -1.458 124 HA SER 21 HA SER 21 -8.283 -7.281 -4.034 125 HB2 SER 21 HB2 SER 21 -10.756 -8.775 -3.151 126 HB3 SER 21 HB3 SER 21 -10.023 -8.864 -4.756 127 HG SER 21 HG SER 21 -8.039 -9.343 -3.346 128 H GLY 22 H GLY 22 -8.922 -5.982 -5.576 129 HA2 GLY 22 HA2 GLY 22 -10.595 -4.656 -6.676 130 HA3 GLY 22 HA3 GLY 22 -11.311 -4.343 -5.094 131 H THR 23 H THR 23 -8.359 -4.195 -4.152 132 HA THR 23 HA THR 23 -7.755 -1.538 -5.219 133 HB THR 23 HB THR 23 -6.817 -0.898 -2.974 134 HG1 THR 23 HG1 THR 23 -7.453 -3.552 -2.409 135 HG21 THR 23 HG21 THR 23 -8.915 -0.709 -1.743 136 HG22 THR 23 HG22 THR 23 -9.671 -1.878 -2.827 137 HG23 THR 23 HG23 THR 23 -9.140 -0.313 -3.445 138 H THR 24 H THR 24 -5.545 -1.146 -5.594 139 HA THR 24 HA THR 24 -3.924 -3.588 -5.441 140 HB THR 24 HB THR 24 -2.828 -2.846 -7.566 141 HG1 THR 24 HG1 THR 24 -4.676 -0.755 -7.253 142 HG21 THR 24 HG21 THR 24 -5.812 -3.308 -7.761 143 HG22 THR 24 HG22 THR 24 -4.599 -4.567 -7.571 144 HG23 THR 24 HG23 THR 24 -4.634 -3.592 -9.043 145 H CYS 25 H CYS 25 -1.875 -3.394 -4.772 146 HA CYS 25 HA CYS 25 -1.042 -1.049 -3.402 147 HB2 CYS 25 HB2 CYS 25 -0.373 -3.291 -2.646 148 HB3 CYS 25 HB3 CYS 25 0.479 -3.556 -4.163 149 H GLN 26 H GLN 26 -0.520 0.717 -4.550 150 HA GLN 26 HA GLN 26 1.219 0.355 -6.863 151 HB2 GLN 26 HB2 GLN 26 -0.978 2.349 -6.377 152 HB3 GLN 26 HB3 GLN 26 0.242 2.579 -7.622 153 HG2 GLN 26 HG2 GLN 26 -0.448 0.569 -8.747 154 HG3 GLN 26 HG3 GLN 26 -1.566 0.180 -7.441 155 HE21 GLN 26 HE21 GLN 26 -3.499 1.209 -7.328 156 HE22 GLN 26 HE22 GLN 26 -4.110 2.226 -8.561 157 H VAL 27 H VAL 27 3.073 1.326 -6.844 158 HA VAL 27 HA VAL 27 3.967 2.593 -4.437 159 HB VAL 27 HB VAL 27 5.456 2.172 -7.046 160 HG11 VAL 27 HG11 VAL 27 7.479 2.380 -5.678 161 HG12 VAL 27 HG12 VAL 27 6.484 2.724 -4.264 162 HG13 VAL 27 HG13 VAL 27 6.505 3.847 -5.622 163 HG21 VAL 27 HG21 VAL 27 6.424 0.182 -5.970 164 HG22 VAL 27 HG22 VAL 27 4.677 0.042 -6.150 165 HG23 VAL 27 HG23 VAL 27 5.372 0.434 -4.577 166 H LEU 28 H LEU 28 3.823 4.664 -4.063 167 HA LEU 28 HA LEU 28 3.376 6.509 -6.301 168 HB2 LEU 28 HB2 LEU 28 2.954 6.914 -3.331 169 HB3 LEU 28 HB3 LEU 28 2.559 8.072 -4.581 170 HG LEU 28 HG LEU 28 1.232 5.382 -4.184 171 HD11 LEU 28 HD11 LEU 28 0.251 8.177 -3.680 172 HD12 LEU 28 HD12 LEU 28 0.613 6.948 -2.462 173 HD13 LEU 28 HD13 LEU 28 -0.727 6.718 -3.579 174 HD21 LEU 28 HD21 LEU 28 1.285 6.001 -6.538 175 HD22 LEU 28 HD22 LEU 28 0.636 7.596 -6.135 176 HD23 LEU 28 HD23 LEU 28 -0.350 6.155 -5.887 177 H ASN 29 H ASN 29 5.205 6.126 -3.322 178 HA ASN 29 HA ASN 29 7.287 7.874 -4.410 179 HB2 ASN 29 HB2 ASN 29 6.331 7.718 -1.511 180 HB3 ASN 29 HB3 ASN 29 7.683 8.669 -2.105 181 HD21 ASN 29 HD21 ASN 29 5.167 9.460 -0.724 182 HD22 ASN 29 HD22 ASN 29 4.463 10.648 -1.736 183 HA PRO 30 HA PRO 30 10.143 4.558 -3.647 184 HB2 PRO 30 HB2 PRO 30 11.447 6.130 -1.466 185 HB3 PRO 30 HB3 PRO 30 12.182 5.295 -2.843 186 HG2 PRO 30 HG2 PRO 30 11.931 7.919 -2.889 187 HG3 PRO 30 HG3 PRO 30 11.581 6.960 -4.339 188 HD2 PRO 30 HD2 PRO 30 9.695 8.243 -2.415 189 HD3 PRO 30 HD3 PRO 30 9.556 8.106 -4.176 190 H TYR 31 H TYR 31 9.156 6.081 -0.575 191 HA TYR 31 HA TYR 31 9.191 3.417 0.634 192 HB2 TYR 31 HB2 TYR 31 8.759 6.086 1.970 193 HB3 TYR 31 HB3 TYR 31 9.048 4.540 2.746 194 HD1 TYR 31 HD1 TYR 31 11.340 3.506 2.563 195 HD2 TYR 31 HD2 TYR 31 10.563 7.468 1.254 196 HE1 TYR 31 HE1 TYR 31 13.746 3.999 2.601 197 HE2 TYR 31 HE2 TYR 31 12.934 7.962 1.293 198 HH TYR 31 HH TYR 31 15.258 5.515 1.571 199 H TYR 32 H TYR 32 7.041 5.982 -0.413 200 HA TYR 32 HA TYR 32 4.896 4.697 1.049 201 HB2 TYR 32 HB2 TYR 32 5.091 7.218 1.117 202 HB3 TYR 32 HB3 TYR 32 4.587 7.217 -0.573 203 HD1 TYR 32 HD1 TYR 32 3.535 6.110 2.798 204 HD2 TYR 32 HD2 TYR 32 2.294 7.111 -1.149 205 HE1 TYR 32 HE1 TYR 32 1.191 5.943 3.501 206 HE2 TYR 32 HE2 TYR 32 -0.055 6.953 -0.441 207 HH TYR 32 HH TYR 32 -0.980 6.767 2.810 208 H SER 33 H SER 33 3.843 3.143 0.188 209 HA SER 33 HA SER 33 3.059 3.304 -2.630 210 HB2 SER 33 HB2 SER 33 3.616 0.804 -0.984 211 HB3 SER 33 HB3 SER 33 3.197 0.850 -2.703 212 HG SER 33 HG SER 33 5.469 0.615 -2.261 213 H GLN 34 H GLN 34 0.797 2.868 -2.914 214 HA GLN 34 HA GLN 34 -0.660 2.602 -0.374 215 HB2 GLN 34 HB2 GLN 34 -0.532 4.927 -0.871 216 HB3 GLN 34 HB3 GLN 34 -1.096 4.681 -2.523 217 HG2 GLN 34 HG2 GLN 34 -3.275 4.020 -1.621 218 HG3 GLN 34 HG3 GLN 34 -2.662 4.273 0.010 219 HE21 GLN 34 HE21 GLN 34 -2.276 6.391 0.725 220 HE22 GLN 34 HE22 GLN 34 -2.957 7.749 -0.069 221 H CYS 35 H CYS 35 -2.555 1.463 -0.437 222 HA CYS 35 HA CYS 35 -3.088 -0.176 -2.702 223 HB2 CYS 35 HB2 CYS 35 -4.855 0.253 -0.286 224 HB3 CYS 35 HB3 CYS 35 -4.872 -1.067 -1.415 225 H LEU 36 H LEU 36 -3.896 0.786 -4.424 226 HA LEU 36 HA LEU 36 -6.269 2.452 -4.119 227 HB2 LEU 36 HB2 LEU 36 -4.099 2.588 -6.210 228 HB3 LEU 36 HB3 LEU 36 -5.615 3.460 -6.309 229 HG LEU 36 HG LEU 36 -3.529 3.856 -4.167 230 HD11 LEU 36 HD11 LEU 36 -4.260 5.565 -6.543 231 HD12 LEU 36 HD12 LEU 36 -2.772 4.641 -6.355 232 HD13 LEU 36 HD13 LEU 36 -3.114 5.992 -5.274 233 HD21 LEU 36 HD21 LEU 36 -6.085 5.340 -4.776 234 HD22 LEU 36 HD22 LEU 36 -4.885 5.801 -3.568 235 HD23 LEU 36 HD23 LEU 36 -5.791 4.309 -3.373 236 H1 MAN 101 H1 MAN 101 8.932 -5.437 10.081 237 H2 MAN 101 H2 MAN 101 7.975 -3.464 11.579 238 H3 MAN 101 H3 MAN 101 9.300 -1.694 11.955 239 H4 MAN 101 H4 MAN 101 10.370 -0.789 9.845 240 H5 MAN 101 H5 MAN 101 9.930 -2.564 7.806 241 H61 MAN 101 H61 MAN 101 12.308 -3.264 7.965 242 H62 MAN 101 H62 MAN 101 12.399 -2.595 9.612 243 HO2 MAN 101 HO2 MAN 101 9.175 -5.339 12.213 244 HO3 MAN 101 HO3 MAN 101 10.975 -3.226 12.392 245 HO4 MAN 101 HO4 MAN 101 8.548 -0.923 8.582 246 HO6 MAN 101 HO6 MAN 101 12.334 -0.553 8.824 Start of MODEL 18 1 H1 THR 1 H1 THR 1 -4.865 -9.012 5.388 2 H2 THR 1 H2 THR 1 -5.569 -7.775 6.294 3 H3 THR 1 H3 THR 1 -3.980 -7.601 5.782 4 HA THR 1 HA THR 1 -4.765 -7.560 3.508 5 HB THR 1 HB THR 1 -7.506 -7.563 4.817 6 HG1 THR 1 HG1 THR 1 -7.612 -9.671 3.742 7 HG21 THR 1 HG21 THR 1 -7.363 -6.328 2.685 8 HG22 THR 1 HG22 THR 1 -8.313 -7.803 2.509 9 HG23 THR 1 HG23 THR 1 -6.652 -7.748 1.918 10 H GLN 2 H GLN 2 -4.103 -5.584 3.133 11 HA GLN 2 HA GLN 2 -4.506 -3.554 5.135 12 HB2 GLN 2 HB2 GLN 2 -2.322 -4.303 3.872 13 HB3 GLN 2 HB3 GLN 2 -2.880 -3.212 2.625 14 HG2 GLN 2 HG2 GLN 2 -2.487 -2.404 5.494 15 HG3 GLN 2 HG3 GLN 2 -1.213 -2.290 4.295 16 HE21 GLN 2 HE21 GLN 2 -3.021 -1.451 2.184 17 HE22 GLN 2 HE22 GLN 2 -3.517 0.140 2.573 18 H SER 3 H SER 3 -5.658 -1.731 4.878 19 HA SER 3 HA SER 3 -7.896 -1.912 3.181 20 HB2 SER 3 HB2 SER 3 -7.044 0.239 5.090 21 HB3 SER 3 HB3 SER 3 -8.671 -0.002 4.457 22 HG SER 3 HG SER 3 -8.979 -1.526 5.820 23 H HIS 4 H HIS 4 -8.815 0.055 2.110 24 HA HIS 4 HA HIS 4 -7.226 0.756 -0.138 25 HB2 HIS 4 HB2 HIS 4 -9.804 0.482 0.042 26 HB3 HIS 4 HB3 HIS 4 -9.796 2.109 0.696 27 HD1 HIS 4 HD1 HIS 4 -11.376 1.814 -1.744 28 HD2 HIS 4 HD2 HIS 4 -7.297 2.476 -1.957 29 HE1 HIS 4 HE1 HIS 4 -10.953 2.654 -4.068 30 HE2 HIS 4 HE2 HIS 4 -8.473 2.380 -4.206 31 H TYR 5 H TYR 5 -5.949 2.477 -0.433 32 HA TYR 5 HA TYR 5 -4.905 4.365 -0.242 33 HB2 TYR 5 HB2 TYR 5 -7.240 5.274 1.440 34 HB3 TYR 5 HB3 TYR 5 -5.879 6.326 1.067 35 HD1 TYR 5 HD1 TYR 5 -9.102 5.424 0.072 36 HD2 TYR 5 HD2 TYR 5 -5.299 6.384 -1.558 37 HE1 TYR 5 HE1 TYR 5 -10.166 6.026 -2.067 38 HE2 TYR 5 HE2 TYR 5 -6.359 6.988 -3.696 39 HH TYR 5 HH TYR 5 -8.528 6.340 -4.911 40 H GLY 6 H GLY 6 -4.765 2.162 1.846 41 HA2 GLY 6 HA2 GLY 6 -3.122 3.631 3.786 42 HA3 GLY 6 HA3 GLY 6 -3.593 1.935 3.907 43 H GLN 7 H GLN 7 -0.941 2.600 4.273 44 HA GLN 7 HA GLN 7 0.522 2.340 1.818 45 HB2 GLN 7 HB2 GLN 7 1.448 3.573 3.779 46 HB3 GLN 7 HB3 GLN 7 1.501 2.063 4.677 47 HG2 GLN 7 HG2 GLN 7 3.122 1.167 3.080 48 HG3 GLN 7 HG3 GLN 7 3.076 2.669 2.168 49 HE21 GLN 7 HE21 GLN 7 5.314 3.143 2.490 50 HE22 GLN 7 HE22 GLN 7 5.902 3.549 4.038 51 H CYS 8 H CYS 8 0.843 0.524 0.784 52 HA CYS 8 HA CYS 8 0.051 -2.000 2.002 53 HB2 CYS 8 HB2 CYS 8 0.383 -2.911 -0.280 54 HB3 CYS 8 HB3 CYS 8 -0.789 -1.606 -0.182 55 H GLY 9 H GLY 9 3.041 -0.568 0.822 56 HA2 GLY 9 HA2 GLY 9 4.652 -2.132 2.446 57 HA3 GLY 9 HA3 GLY 9 4.457 -3.026 0.946 58 H GLY 10 H GLY 10 5.253 0.170 2.122 59 HA2 GLY 10 HA2 GLY 10 7.117 0.456 -0.126 60 HA3 GLY 10 HA3 GLY 10 6.504 1.782 0.869 61 H ILE 11 H ILE 11 9.109 1.824 0.694 62 HA ILE 11 HA ILE 11 10.564 0.114 2.367 63 HB ILE 11 HB ILE 11 11.228 3.006 1.724 64 HG12 ILE 11 HG12 ILE 11 12.069 0.494 0.257 65 HG13 ILE 11 HG13 ILE 11 10.818 1.595 -0.303 66 HG21 ILE 11 HG21 ILE 11 13.557 2.319 2.136 67 HG22 ILE 11 HG22 ILE 11 13.002 0.698 2.552 68 HG23 ILE 11 HG23 ILE 11 12.550 2.069 3.567 69 HD11 ILE 11 HD11 ILE 11 12.472 3.380 -0.483 70 HD12 ILE 11 HD12 ILE 11 12.921 1.981 -1.460 71 HD13 ILE 11 HD13 ILE 11 13.720 2.273 0.089 72 H GLY 12 H GLY 12 10.434 -0.129 4.434 73 HA2 GLY 12 HA2 GLY 12 10.748 0.803 6.646 74 HA3 GLY 12 HA3 GLY 12 9.737 2.155 6.146 75 H TYR 13 H TYR 13 7.935 0.209 4.724 76 HA TYR 13 HA TYR 13 6.235 -0.276 7.020 77 HB2 TYR 13 HB2 TYR 13 5.293 0.629 4.891 78 HB3 TYR 13 HB3 TYR 13 5.745 -0.864 4.087 79 HD1 TYR 13 HD1 TYR 13 4.435 -2.898 4.412 80 HD2 TYR 13 HD2 TYR 13 3.438 0.678 6.485 81 HE1 TYR 13 HE1 TYR 13 2.251 -3.860 5.007 82 HE2 TYR 13 HE2 TYR 13 1.257 -0.277 7.091 83 HH TYR 13 HH TYR 13 -0.243 -1.978 6.127 84 H SER 14 H SER 14 5.862 -2.242 7.898 85 HA SER 14 HA SER 14 7.026 -4.563 6.575 86 HB2 SER 14 HB2 SER 14 7.279 -3.950 9.515 87 HB3 SER 14 HB3 SER 14 8.111 -5.212 8.597 88 H GLY 15 H GLY 15 5.137 -5.624 6.129 89 HA2 GLY 15 HA2 GLY 15 3.692 -6.893 8.093 90 HA3 GLY 15 HA3 GLY 15 2.837 -5.394 7.740 91 HA PRO 16 HA PRO 16 1.342 -8.533 4.759 92 HB2 PRO 16 HB2 PRO 16 -1.276 -7.300 5.189 93 HB3 PRO 16 HB3 PRO 16 -0.777 -8.969 5.480 94 HG2 PRO 16 HG2 PRO 16 -1.330 -7.287 7.515 95 HG3 PRO 16 HG3 PRO 16 -0.073 -8.529 7.628 96 HD2 PRO 16 HD2 PRO 16 0.236 -5.605 6.996 97 HD3 PRO 16 HD3 PRO 16 1.142 -6.612 8.163 98 H THR 17 H THR 17 1.567 -8.063 2.705 99 HA THR 17 HA THR 17 1.222 -5.336 1.783 100 HB THR 17 HB THR 17 2.343 -6.435 -0.294 101 HG1 THR 17 HG1 THR 17 2.161 -8.612 0.313 102 HG21 THR 17 HG21 THR 17 4.562 -6.100 0.711 103 HG22 THR 17 HG22 THR 17 3.849 -6.175 2.322 104 HG23 THR 17 HG23 THR 17 3.446 -4.843 1.240 105 H VAL 18 H VAL 18 -0.598 -8.090 1.919 106 HA VAL 18 HA VAL 18 -1.874 -7.938 -0.641 107 HB VAL 18 HB VAL 18 -2.861 -9.257 1.912 108 HG11 VAL 18 HG11 VAL 18 -4.370 -10.535 0.450 109 HG12 VAL 18 HG12 VAL 18 -3.789 -9.623 -0.939 110 HG13 VAL 18 HG13 VAL 18 -4.688 -8.800 0.338 111 HG21 VAL 18 HG21 VAL 18 -2.049 -11.342 0.937 112 HG22 VAL 18 HG22 VAL 18 -0.727 -10.178 1.075 113 HG23 VAL 18 HG23 VAL 18 -1.487 -10.464 -0.480 114 H CYS 19 H CYS 19 -3.151 -6.358 -1.225 115 HA CYS 19 HA CYS 19 -4.333 -4.585 0.717 116 HB2 CYS 19 HB2 CYS 19 -4.402 -4.564 -2.305 117 HB3 CYS 19 HB3 CYS 19 -5.058 -3.299 -1.268 118 H ALA 20 H ALA 20 -6.605 -3.932 0.441 119 HA ALA 20 HA ALA 20 -8.360 -6.100 0.705 120 HB1 ALA 20 HB1 ALA 20 -10.123 -4.412 0.847 121 HB2 ALA 20 HB2 ALA 20 -9.009 -3.187 0.238 122 HB3 ALA 20 HB3 ALA 20 -8.716 -3.948 1.803 123 H SER 21 H SER 21 -10.339 -6.387 -0.516 124 HA SER 21 HA SER 21 -9.879 -7.199 -3.110 125 HB2 SER 21 HB2 SER 21 -11.615 -8.096 -1.580 126 HB3 SER 21 HB3 SER 21 -12.517 -6.596 -1.751 127 HG SER 21 HG SER 21 -11.824 -8.331 -3.875 128 H GLY 22 H GLY 22 -9.658 -6.052 -4.894 129 HA2 GLY 22 HA2 GLY 22 -10.495 -4.639 -6.586 130 HA3 GLY 22 HA3 GLY 22 -11.378 -3.739 -5.366 131 H THR 23 H THR 23 -8.503 -4.044 -3.954 132 HA THR 23 HA THR 23 -7.603 -1.537 -5.173 133 HB THR 23 HB THR 23 -6.659 -0.876 -3.011 134 HG1 THR 23 HG1 THR 23 -7.432 -3.505 -2.279 135 HG21 THR 23 HG21 THR 23 -8.710 -0.691 -1.700 136 HG22 THR 23 HG22 THR 23 -9.475 -1.908 -2.726 137 HG23 THR 23 HG23 THR 23 -8.993 -0.352 -3.406 138 H THR 24 H THR 24 -5.449 -1.245 -5.615 139 HA THR 24 HA THR 24 -3.875 -3.719 -5.611 140 HB THR 24 HB THR 24 -2.754 -2.741 -7.655 141 HG1 THR 24 HG1 THR 24 -4.780 -0.793 -7.250 142 HG21 THR 24 HG21 THR 24 -4.568 -3.402 -9.182 143 HG22 THR 24 HG22 THR 24 -5.712 -3.318 -7.843 144 HG23 THR 24 HG23 THR 24 -4.426 -4.523 -7.827 145 H CYS 25 H CYS 25 -1.739 -3.609 -4.996 146 HA CYS 25 HA CYS 25 -0.982 -1.312 -3.436 147 HB2 CYS 25 HB2 CYS 25 -0.357 -3.540 -2.653 148 HB3 CYS 25 HB3 CYS 25 0.518 -3.849 -4.148 149 H GLN 26 H GLN 26 -0.348 0.485 -4.497 150 HA GLN 26 HA GLN 26 1.403 0.085 -6.798 151 HB2 GLN 26 HB2 GLN 26 -0.574 2.316 -6.326 152 HB3 GLN 26 HB3 GLN 26 0.553 2.244 -7.672 153 HG2 GLN 26 HG2 GLN 26 -0.507 0.134 -8.397 154 HG3 GLN 26 HG3 GLN 26 -1.681 0.315 -7.098 155 HE21 GLN 26 HE21 GLN 26 -3.400 0.429 -8.495 156 HE22 GLN 26 HE22 GLN 26 -3.668 1.776 -9.541 157 H VAL 27 H VAL 27 3.197 1.292 -6.972 158 HA VAL 27 HA VAL 27 4.152 2.473 -4.496 159 HB VAL 27 HB VAL 27 5.636 2.022 -7.110 160 HG11 VAL 27 HG11 VAL 27 6.683 2.558 -4.336 161 HG12 VAL 27 HG12 VAL 27 6.683 3.690 -5.686 162 HG13 VAL 27 HG13 VAL 27 7.668 2.229 -5.762 163 HG21 VAL 27 HG21 VAL 27 6.607 0.028 -6.052 164 HG22 VAL 27 HG22 VAL 27 4.856 -0.108 -6.229 165 HG23 VAL 27 HG23 VAL 27 5.560 0.268 -4.654 166 H LEU 28 H LEU 28 3.812 4.574 -4.233 167 HA LEU 28 HA LEU 28 3.294 6.243 -6.587 168 HB2 LEU 28 HB2 LEU 28 2.825 6.790 -3.663 169 HB3 LEU 28 HB3 LEU 28 2.396 7.869 -4.969 170 HG LEU 28 HG LEU 28 1.206 5.135 -4.484 171 HD11 LEU 28 HD11 LEU 28 0.050 7.892 -4.125 172 HD12 LEU 28 HD12 LEU 28 0.496 6.770 -2.839 173 HD13 LEU 28 HD13 LEU 28 -0.825 6.373 -3.938 174 HD21 LEU 28 HD21 LEU 28 0.536 7.240 -6.531 175 HD22 LEU 28 HD22 LEU 28 -0.368 5.746 -6.247 176 HD23 LEU 28 HD23 LEU 28 1.283 5.673 -6.860 177 H ASN 29 H ASN 29 5.497 5.812 -3.953 178 HA ASN 29 HA ASN 29 7.353 7.723 -5.089 179 HB2 ASN 29 HB2 ASN 29 6.457 7.856 -2.169 180 HB3 ASN 29 HB3 ASN 29 7.795 8.741 -2.870 181 HD21 ASN 29 HD21 ASN 29 4.377 8.556 -2.524 182 HD22 ASN 29 HD22 ASN 29 4.040 10.104 -3.209 183 HA PRO 30 HA PRO 30 10.343 4.646 -3.892 184 HB2 PRO 30 HB2 PRO 30 11.546 6.534 -1.910 185 HB3 PRO 30 HB3 PRO 30 12.339 5.559 -3.156 186 HG2 PRO 30 HG2 PRO 30 11.984 8.154 -3.538 187 HG3 PRO 30 HG3 PRO 30 11.723 7.012 -4.868 188 HD2 PRO 30 HD2 PRO 30 9.739 8.457 -3.191 189 HD3 PRO 30 HD3 PRO 30 9.649 8.046 -4.913 190 H TYR 31 H TYR 31 9.244 6.454 -0.992 191 HA TYR 31 HA TYR 31 9.378 3.924 0.488 192 HB2 TYR 31 HB2 TYR 31 8.899 6.740 1.514 193 HB3 TYR 31 HB3 TYR 31 9.046 5.300 2.508 194 HD1 TYR 31 HD1 TYR 31 10.926 7.488 0.163 195 HD2 TYR 31 HD2 TYR 31 11.170 4.540 3.213 196 HE1 TYR 31 HE1 TYR 31 13.333 7.841 0.293 197 HE2 TYR 31 HE2 TYR 31 13.598 4.890 3.353 198 HH TYR 31 HH TYR 31 15.391 5.703 1.825 199 H TYR 32 H TYR 32 7.133 6.115 -0.920 200 HA TYR 32 HA TYR 32 5.001 5.082 0.759 201 HB2 TYR 32 HB2 TYR 32 5.255 7.562 0.301 202 HB3 TYR 32 HB3 TYR 32 4.688 7.207 -1.328 203 HD1 TYR 32 HD1 TYR 32 3.736 6.376 2.158 204 HD2 TYR 32 HD2 TYR 32 2.426 7.572 -1.710 205 HE1 TYR 32 HE1 TYR 32 1.458 6.524 2.992 206 HE2 TYR 32 HE2 TYR 32 0.120 7.716 -0.881 207 HH TYR 32 HH TYR 32 -1.238 7.034 0.862 208 H SER 33 H SER 33 4.043 3.293 0.149 209 HA SER 33 HA SER 33 3.179 3.034 -2.638 210 HB2 SER 33 HB2 SER 33 3.879 0.744 -0.757 211 HB3 SER 33 HB3 SER 33 3.483 0.640 -2.477 212 HG SER 33 HG SER 33 5.588 0.722 -2.685 213 H GLN 34 H GLN 34 0.988 2.693 -2.788 214 HA GLN 34 HA GLN 34 -0.487 2.378 -0.270 215 HB2 GLN 34 HB2 GLN 34 -0.429 4.711 -0.582 216 HB3 GLN 34 HB3 GLN 34 -0.726 4.595 -2.299 217 HG2 GLN 34 HG2 GLN 34 -3.022 3.885 -1.843 218 HG3 GLN 34 HG3 GLN 34 -2.698 3.991 -0.110 219 HE21 GLN 34 HE21 GLN 34 -2.749 5.966 0.879 220 HE22 GLN 34 HE22 GLN 34 -3.118 7.426 0.027 221 H CYS 35 H CYS 35 -2.453 1.307 -0.426 222 HA CYS 35 HA CYS 35 -2.905 -0.234 -2.780 223 HB2 CYS 35 HB2 CYS 35 -4.635 0.047 -0.315 224 HB3 CYS 35 HB3 CYS 35 -4.778 -1.159 -1.572 225 H LEU 36 H LEU 36 -3.654 0.795 -4.453 226 HA LEU 36 HA LEU 36 -5.810 2.734 -4.185 227 HB2 LEU 36 HB2 LEU 36 -4.004 2.053 -6.512 228 HB3 LEU 36 HB3 LEU 36 -5.314 3.211 -6.580 229 HG LEU 36 HG LEU 36 -2.830 3.462 -4.880 230 HD11 LEU 36 HD11 LEU 36 -2.373 3.791 -7.237 231 HD12 LEU 36 HD12 LEU 36 -2.330 5.336 -6.378 232 HD13 LEU 36 HD13 LEU 36 -3.730 4.909 -7.354 233 HD21 LEU 36 HD21 LEU 36 -3.651 5.704 -4.411 234 HD22 LEU 36 HD22 LEU 36 -4.750 4.473 -3.799 235 HD23 LEU 36 HD23 LEU 36 -5.143 5.351 -5.284 236 H1 MAN 101 H1 MAN 101 9.354 -3.032 10.173 237 H2 MAN 101 H2 MAN 101 10.149 -1.243 8.454 238 H3 MAN 101 H3 MAN 101 12.137 -1.616 7.300 239 H4 MAN 101 H4 MAN 101 12.444 -3.970 6.548 240 H5 MAN 101 H5 MAN 101 10.345 -5.457 7.478 241 H61 MAN 101 H61 MAN 101 11.912 -6.602 8.973 242 H62 MAN 101 H62 MAN 101 13.041 -5.224 8.913 243 HO2 MAN 101 HO2 MAN 101 11.938 -2.418 10.291 244 HO3 MAN 101 HO3 MAN 101 13.773 -2.999 8.219 245 HO4 MAN 101 HO4 MAN 101 9.713 -3.134 6.609 246 HO6 MAN 101 HO6 MAN 101 12.214 -6.901 6.739 Start of MODEL 19 1 H1 THR 1 H1 THR 1 -5.234 -7.975 6.054 2 H2 THR 1 H2 THR 1 -3.703 -7.947 5.364 3 H3 THR 1 H3 THR 1 -4.764 -9.251 5.076 4 HA THR 1 HA THR 1 -4.690 -7.744 3.189 5 HB THR 1 HB THR 1 -7.354 -7.573 4.614 6 HG1 THR 1 HG1 THR 1 -7.191 -9.662 4.893 7 HG21 THR 1 HG21 THR 1 -7.144 -6.633 2.366 8 HG22 THR 1 HG22 THR 1 -8.235 -8.024 2.384 9 HG23 THR 1 HG23 THR 1 -6.593 -8.193 1.754 10 H GLN 2 H GLN 2 -3.956 -5.674 2.904 11 HA GLN 2 HA GLN 2 -4.308 -3.782 5.058 12 HB2 GLN 2 HB2 GLN 2 -2.121 -4.384 3.803 13 HB3 GLN 2 HB3 GLN 2 -2.700 -3.317 2.548 14 HG2 GLN 2 HG2 GLN 2 -2.347 -2.451 5.417 15 HG3 GLN 2 HG3 GLN 2 -1.068 -2.339 4.217 16 HE21 GLN 2 HE21 GLN 2 -2.722 -1.567 2.041 17 HE22 GLN 2 HE22 GLN 2 -3.286 0.013 2.376 18 H SER 3 H SER 3 -5.244 -1.787 4.928 19 HA SER 3 HA SER 3 -7.679 -1.569 3.682 20 HB2 SER 3 HB2 SER 3 -6.058 0.621 4.905 21 HB3 SER 3 HB3 SER 3 -7.813 0.438 4.885 22 HG SER 3 HG SER 3 -6.297 -0.294 6.770 23 H HIS 4 H HIS 4 -8.509 -0.091 2.218 24 HA HIS 4 HA HIS 4 -7.082 0.734 -0.066 25 HB2 HIS 4 HB2 HIS 4 -9.552 0.322 0.072 26 HB3 HIS 4 HB3 HIS 4 -9.706 1.751 1.072 27 HD1 HIS 4 HD1 HIS 4 -11.124 3.158 -0.412 28 HD2 HIS 4 HD2 HIS 4 -7.815 1.658 -2.419 29 HE1 HIS 4 HE1 HIS 4 -11.241 4.123 -2.725 30 HE2 HIS 4 HE2 HIS 4 -9.197 3.268 -3.899 31 H TYR 5 H TYR 5 -5.944 2.608 -0.474 32 HA TYR 5 HA TYR 5 -4.882 4.507 -0.214 33 HB2 TYR 5 HB2 TYR 5 -7.219 5.199 1.532 34 HB3 TYR 5 HB3 TYR 5 -5.827 6.274 1.476 35 HD1 TYR 5 HD1 TYR 5 -5.336 7.563 -0.503 36 HD2 TYR 5 HD2 TYR 5 -8.632 4.890 -0.432 37 HE1 TYR 5 HE1 TYR 5 -6.212 8.602 -2.548 38 HE2 TYR 5 HE2 TYR 5 -9.514 5.924 -2.473 39 HH TYR 5 HH TYR 5 -7.672 8.041 -4.388 40 H GLY 6 H GLY 6 -4.666 2.178 1.840 41 HA2 GLY 6 HA2 GLY 6 -2.932 3.640 3.698 42 HA3 GLY 6 HA3 GLY 6 -3.468 1.969 3.884 43 H GLN 7 H GLN 7 -0.821 2.550 4.182 44 HA GLN 7 HA GLN 7 0.582 2.100 1.715 45 HB2 GLN 7 HB2 GLN 7 1.605 3.457 3.467 46 HB3 GLN 7 HB3 GLN 7 1.543 2.095 4.572 47 HG2 GLN 7 HG2 GLN 7 3.126 0.885 3.257 48 HG3 GLN 7 HG3 GLN 7 3.214 2.138 2.036 49 HE21 GLN 7 HE21 GLN 7 5.445 2.664 2.390 50 HE22 GLN 7 HE22 GLN 7 5.971 3.317 3.876 51 H CYS 8 H CYS 8 0.659 0.246 0.810 52 HA CYS 8 HA CYS 8 -0.049 -2.218 2.119 53 HB2 CYS 8 HB2 CYS 8 0.549 -3.082 -0.238 54 HB3 CYS 8 HB3 CYS 8 -0.874 -2.063 -0.025 55 H GLY 9 H GLY 9 2.902 -1.049 0.536 56 HA2 GLY 9 HA2 GLY 9 4.536 -2.599 2.234 57 HA3 GLY 9 HA3 GLY 9 4.265 -3.443 0.711 58 H GLY 10 H GLY 10 5.349 -0.493 2.124 59 HA2 GLY 10 HA2 GLY 10 6.969 -0.073 -0.270 60 HA3 GLY 10 HA3 GLY 10 6.442 1.221 0.809 61 H ILE 11 H ILE 11 8.992 1.160 0.343 62 HA ILE 11 HA ILE 11 10.552 -0.459 2.044 63 HB ILE 11 HB ILE 11 11.169 2.324 0.994 64 HG12 ILE 11 HG12 ILE 11 11.922 -0.390 -0.115 65 HG13 ILE 11 HG13 ILE 11 10.679 0.661 -0.777 66 HG21 ILE 11 HG21 ILE 11 13.526 1.734 1.377 67 HG22 ILE 11 HG22 ILE 11 13.020 0.202 2.088 68 HG23 ILE 11 HG23 ILE 11 12.606 1.718 2.885 69 HD11 ILE 11 HD11 ILE 11 12.372 2.338 -1.293 70 HD12 ILE 11 HD12 ILE 11 12.738 0.792 -2.059 71 HD13 ILE 11 HD13 ILE 11 13.615 1.290 -0.614 72 H GLY 12 H GLY 12 10.468 -0.502 4.170 73 HA2 GLY 12 HA2 GLY 12 10.877 0.613 6.256 74 HA3 GLY 12 HA3 GLY 12 10.035 2.019 5.614 75 H TYR 13 H TYR 13 8.152 -0.302 4.505 76 HA TYR 13 HA TYR 13 6.441 -0.182 6.866 77 HB2 TYR 13 HB2 TYR 13 5.447 0.552 4.712 78 HB3 TYR 13 HB3 TYR 13 5.739 -1.056 4.053 79 HD1 TYR 13 HD1 TYR 13 4.184 -2.823 4.437 80 HD2 TYR 13 HD2 TYR 13 3.862 0.789 6.653 81 HE1 TYR 13 HE1 TYR 13 2.013 -3.568 5.331 82 HE2 TYR 13 HE2 TYR 13 1.703 0.052 7.549 83 HH TYR 13 HH TYR 13 -0.093 -1.466 6.792 84 H SER 14 H SER 14 5.830 -1.950 7.957 85 HA SER 14 HA SER 14 6.792 -4.569 7.011 86 HB2 SER 14 HB2 SER 14 6.674 -3.894 9.901 87 HB3 SER 14 HB3 SER 14 7.775 -4.996 9.067 88 H GLY 15 H GLY 15 4.808 -5.596 6.586 89 HA2 GLY 15 HA2 GLY 15 3.141 -6.444 8.534 90 HA3 GLY 15 HA3 GLY 15 2.498 -4.860 8.105 91 HA PRO 16 HA PRO 16 0.403 -7.809 5.306 92 HB2 PRO 16 HB2 PRO 16 -1.728 -5.797 5.323 93 HB3 PRO 16 HB3 PRO 16 -1.792 -7.485 5.822 94 HG2 PRO 16 HG2 PRO 16 -1.933 -5.458 7.596 95 HG3 PRO 16 HG3 PRO 16 -1.182 -7.014 7.988 96 HD2 PRO 16 HD2 PRO 16 0.106 -4.422 7.227 97 HD3 PRO 16 HD3 PRO 16 0.565 -5.592 8.488 98 H THR 17 H THR 17 1.350 -7.615 3.385 99 HA THR 17 HA THR 17 1.564 -5.076 2.070 100 HB THR 17 HB THR 17 2.852 -6.501 0.406 101 HG1 THR 17 HG1 THR 17 3.331 -8.541 1.004 102 HG21 THR 17 HG21 THR 17 3.762 -6.449 3.290 103 HG22 THR 17 HG22 THR 17 3.877 -5.100 2.167 104 HG23 THR 17 HG23 THR 17 4.815 -6.572 1.877 105 H VAL 18 H VAL 18 -0.586 -7.708 1.986 106 HA VAL 18 HA VAL 18 -1.242 -7.308 -0.812 107 HB VAL 18 HB VAL 18 -2.562 -9.208 1.154 108 HG11 VAL 18 HG11 VAL 18 -3.362 -10.361 -0.859 109 HG12 VAL 18 HG12 VAL 18 -2.641 -9.099 -1.852 110 HG13 VAL 18 HG13 VAL 18 -3.963 -8.705 -0.756 111 HG21 VAL 18 HG21 VAL 18 -0.193 -9.748 0.906 112 HG22 VAL 18 HG22 VAL 18 -0.371 -9.766 -0.850 113 HG23 VAL 18 HG23 VAL 18 -1.200 -10.972 0.134 114 H CYS 19 H CYS 19 -2.784 -6.043 -1.464 115 HA CYS 19 HA CYS 19 -4.167 -4.409 0.416 116 HB2 CYS 19 HB2 CYS 19 -4.310 -4.505 -2.587 117 HB3 CYS 19 HB3 CYS 19 -5.018 -3.256 -1.562 118 H ALA 20 H ALA 20 -6.432 -3.936 0.310 119 HA ALA 20 HA ALA 20 -8.068 -6.184 0.702 120 HB1 ALA 20 HB1 ALA 20 -9.851 -4.585 1.043 121 HB2 ALA 20 HB2 ALA 20 -8.878 -3.309 0.314 122 HB3 ALA 20 HB3 ALA 20 -8.377 -4.032 1.841 123 H SER 21 H SER 21 -10.316 -6.201 -0.288 124 HA SER 21 HA SER 21 -10.111 -7.347 -2.770 125 HB2 SER 21 HB2 SER 21 -12.639 -7.179 -2.622 126 HB3 SER 21 HB3 SER 21 -11.820 -8.000 -1.282 127 HG SER 21 HG SER 21 -12.558 -5.291 -1.368 128 H GLY 22 H GLY 22 -9.640 -6.314 -4.604 129 HA2 GLY 22 HA2 GLY 22 -10.391 -5.133 -6.462 130 HA3 GLY 22 HA3 GLY 22 -11.368 -4.130 -5.400 131 H THR 23 H THR 23 -8.427 -4.265 -3.935 132 HA THR 23 HA THR 23 -7.684 -1.755 -5.276 133 HB THR 23 HB THR 23 -6.658 -1.032 -3.120 134 HG1 THR 23 HG1 THR 23 -7.393 -3.645 -2.396 135 HG21 THR 23 HG21 THR 23 -9.516 -1.960 -2.848 136 HG22 THR 23 HG22 THR 23 -8.987 -0.449 -3.586 137 HG23 THR 23 HG23 THR 23 -8.736 -0.723 -1.862 138 H THR 24 H THR 24 -5.477 -1.308 -5.704 139 HA THR 24 HA THR 24 -3.772 -3.705 -5.650 140 HB THR 24 HB THR 24 -2.697 -2.741 -7.728 141 HG1 THR 24 HG1 THR 24 -4.667 -0.815 -7.298 142 HG21 THR 24 HG21 THR 24 -4.455 -3.557 -9.250 143 HG22 THR 24 HG22 THR 24 -5.618 -3.504 -7.923 144 HG23 THR 24 HG23 THR 24 -4.257 -4.623 -7.859 145 H CYS 25 H CYS 25 -1.594 -3.437 -5.130 146 HA CYS 25 HA CYS 25 -0.990 -1.090 -3.581 147 HB2 CYS 25 HB2 CYS 25 -0.279 -3.340 -2.819 148 HB3 CYS 25 HB3 CYS 25 0.717 -3.505 -4.261 149 H GLN 26 H GLN 26 -0.490 0.700 -4.673 150 HA GLN 26 HA GLN 26 1.281 0.438 -6.988 151 HB2 GLN 26 HB2 GLN 26 -0.769 2.574 -6.399 152 HB3 GLN 26 HB3 GLN 26 0.335 2.591 -7.768 153 HG2 GLN 26 HG2 GLN 26 -0.664 0.519 -8.602 154 HG3 GLN 26 HG3 GLN 26 -1.776 0.509 -7.237 155 HE21 GLN 26 HE21 GLN 26 -3.541 0.593 -8.540 156 HE22 GLN 26 HE22 GLN 26 -4.008 1.995 -9.435 157 H VAL 27 H VAL 27 3.140 1.405 -6.946 158 HA VAL 27 HA VAL 27 4.077 2.608 -4.522 159 HB VAL 27 HB VAL 27 5.516 2.339 -7.177 160 HG11 VAL 27 HG11 VAL 27 6.571 3.905 -5.646 161 HG12 VAL 27 HG12 VAL 27 7.551 2.449 -5.835 162 HG13 VAL 27 HG13 VAL 27 6.585 2.677 -4.379 163 HG21 VAL 27 HG21 VAL 27 4.725 0.165 -6.409 164 HG22 VAL 27 HG22 VAL 27 5.495 0.436 -4.843 165 HG23 VAL 27 HG23 VAL 27 6.480 0.283 -6.300 166 H LEU 28 H LEU 28 3.686 4.685 -4.126 167 HA LEU 28 HA LEU 28 3.207 6.527 -6.353 168 HB2 LEU 28 HB2 LEU 28 2.838 6.949 -3.389 169 HB3 LEU 28 HB3 LEU 28 2.370 8.065 -4.649 170 HG LEU 28 HG LEU 28 1.154 5.354 -4.118 171 HD11 LEU 28 HD11 LEU 28 0.518 7.044 -2.499 172 HD12 LEU 28 HD12 LEU 28 -0.841 6.640 -3.550 173 HD13 LEU 28 HD13 LEU 28 0.055 8.139 -3.800 174 HD21 LEU 28 HD21 LEU 28 0.477 7.409 -6.214 175 HD22 LEU 28 HD22 LEU 28 -0.469 5.965 -5.844 176 HD23 LEU 28 HD23 LEU 28 1.161 5.805 -6.502 177 H ASN 29 H ASN 29 5.193 6.122 -3.502 178 HA ASN 29 HA ASN 29 6.981 8.254 -4.454 179 HB2 ASN 29 HB2 ASN 29 6.170 7.676 -1.572 180 HB3 ASN 29 HB3 ASN 29 7.329 8.877 -2.092 181 HD21 ASN 29 HD21 ASN 29 4.778 9.120 -0.600 182 HD22 ASN 29 HD22 ASN 29 3.890 10.300 -1.459 183 HA PRO 30 HA PRO 30 10.425 5.438 -3.880 184 HB2 PRO 30 HB2 PRO 30 11.354 6.955 -1.478 185 HB3 PRO 30 HB3 PRO 30 12.275 6.432 -2.894 186 HG2 PRO 30 HG2 PRO 30 11.553 8.959 -2.682 187 HG3 PRO 30 HG3 PRO 30 11.397 8.130 -4.241 188 HD2 PRO 30 HD2 PRO 30 9.304 8.820 -2.245 189 HD3 PRO 30 HD3 PRO 30 9.223 8.882 -4.016 190 H TYR 31 H TYR 31 9.108 6.364 -0.698 191 HA TYR 31 HA TYR 31 9.525 3.596 0.234 192 HB2 TYR 31 HB2 TYR 31 8.795 6.045 1.857 193 HB3 TYR 31 HB3 TYR 31 9.235 4.462 2.475 194 HD1 TYR 31 HD1 TYR 31 11.596 3.771 2.528 195 HD2 TYR 31 HD2 TYR 31 10.473 7.606 1.075 196 HE1 TYR 31 HE1 TYR 31 13.926 4.544 2.747 197 HE2 TYR 31 HE2 TYR 31 12.772 8.374 1.280 198 HH TYR 31 HH TYR 31 15.387 6.295 1.794 199 H TYR 32 H TYR 32 7.091 5.905 -0.601 200 HA TYR 32 HA TYR 32 5.073 4.454 0.898 201 HB2 TYR 32 HB2 TYR 32 5.183 6.964 0.949 202 HB3 TYR 32 HB3 TYR 32 4.625 6.942 -0.718 203 HD1 TYR 32 HD1 TYR 32 3.704 5.862 2.697 204 HD2 TYR 32 HD2 TYR 32 2.328 6.848 -1.210 205 HE1 TYR 32 HE1 TYR 32 1.385 5.810 3.507 206 HE2 TYR 32 HE2 TYR 32 0.018 6.797 -0.403 207 HH TYR 32 HH TYR 32 -0.791 6.783 2.854 208 H SER 33 H SER 33 4.135 2.804 0.036 209 HA SER 33 HA SER 33 3.181 2.978 -2.727 210 HB2 SER 33 HB2 SER 33 3.736 0.462 -1.095 211 HB3 SER 33 HB3 SER 33 3.270 0.542 -2.798 212 HG SER 33 HG SER 33 5.424 0.297 -2.844 213 H GLN 34 H GLN 34 0.935 2.726 -2.929 214 HA GLN 34 HA GLN 34 -0.541 2.436 -0.389 215 HB2 GLN 34 HB2 GLN 34 -0.290 4.789 -0.992 216 HB3 GLN 34 HB3 GLN 34 -0.976 4.467 -2.575 217 HG2 GLN 34 HG2 GLN 34 -3.096 3.879 -1.530 218 HG3 GLN 34 HG3 GLN 34 -2.399 4.200 0.056 219 HE21 GLN 34 HE21 GLN 34 -2.004 6.331 0.671 220 HE22 GLN 34 HE22 GLN 34 -2.683 7.662 -0.187 221 H CYS 35 H CYS 35 -2.569 1.413 -0.532 222 HA CYS 35 HA CYS 35 -3.024 -0.138 -2.893 223 HB2 CYS 35 HB2 CYS 35 -4.721 0.042 -0.398 224 HB3 CYS 35 HB3 CYS 35 -4.834 -1.114 -1.693 225 H LEU 36 H LEU 36 -3.869 0.755 -4.539 226 HA LEU 36 HA LEU 36 -6.174 2.540 -4.285 227 HB2 LEU 36 HB2 LEU 36 -4.112 2.300 -6.490 228 HB3 LEU 36 HB3 LEU 36 -5.519 3.339 -6.536 229 HG LEU 36 HG LEU 36 -3.268 3.614 -4.542 230 HD11 LEU 36 HD11 LEU 36 -3.890 5.158 -7.049 231 HD12 LEU 36 HD12 LEU 36 -2.486 4.123 -6.780 232 HD13 LEU 36 HD13 LEU 36 -2.680 5.613 -5.853 233 HD21 LEU 36 HD21 LEU 36 -4.307 5.773 -4.066 234 HD22 LEU 36 HD22 LEU 36 -5.411 4.442 -3.722 235 HD23 LEU 36 HD23 LEU 36 -5.610 5.398 -5.191 236 H1 MAN 101 H1 MAN 101 9.908 -3.811 10.017 237 H2 MAN 101 H2 MAN 101 7.889 -3.919 11.456 238 H3 MAN 101 H3 MAN 101 6.821 -1.841 10.730 239 H4 MAN 101 H4 MAN 101 9.103 -0.442 12.225 240 H5 MAN 101 H5 MAN 101 8.369 -0.538 9.279 241 H61 MAN 101 H61 MAN 101 9.430 1.565 10.128 242 H62 MAN 101 H62 MAN 101 10.310 0.741 8.814 243 HO2 MAN 101 HO2 MAN 101 9.972 -2.213 12.426 244 HO3 MAN 101 HO3 MAN 101 7.627 -1.724 13.468 245 HO4 MAN 101 HO4 MAN 101 6.863 0.511 10.739 246 HO6 MAN 101 HO6 MAN 101 11.413 -0.326 10.788 Start of MODEL 20 1 H1 THR 1 H1 THR 1 -6.148 -7.958 5.765 2 H2 THR 1 H2 THR 1 -4.480 -8.107 5.824 3 H3 THR 1 H3 THR 1 -5.405 -9.280 5.008 4 HA THR 1 HA THR 1 -4.435 -7.796 3.410 5 HB THR 1 HB THR 1 -6.600 -6.739 2.561 6 HG1 THR 1 HG1 THR 1 -8.458 -7.555 3.767 7 HG21 THR 1 HG21 THR 1 -5.874 -8.988 1.857 8 HG22 THR 1 HG22 THR 1 -7.627 -8.928 2.049 9 HG23 THR 1 HG23 THR 1 -6.629 -9.679 3.292 10 H GLN 2 H GLN 2 -4.596 -5.475 2.575 11 HA GLN 2 HA GLN 2 -4.430 -3.633 4.847 12 HB2 GLN 2 HB2 GLN 2 -2.507 -4.232 3.032 13 HB3 GLN 2 HB3 GLN 2 -3.307 -2.915 2.192 14 HG2 GLN 2 HG2 GLN 2 -2.007 -2.801 4.912 15 HG3 GLN 2 HG3 GLN 2 -1.454 -2.030 3.428 16 HE21 GLN 2 HE21 GLN 2 -2.660 -0.333 2.634 17 HE22 GLN 2 HE22 GLN 2 -3.692 0.596 3.664 18 H SER 3 H SER 3 -5.569 -1.688 4.715 19 HA SER 3 HA SER 3 -7.986 -1.770 3.208 20 HB2 SER 3 HB2 SER 3 -6.892 0.327 5.073 21 HB3 SER 3 HB3 SER 3 -8.558 0.224 4.493 22 HG SER 3 HG SER 3 -8.388 -0.674 6.509 23 H HIS 4 H HIS 4 -8.808 -0.018 1.945 24 HA HIS 4 HA HIS 4 -7.159 0.830 -0.166 25 HB2 HIS 4 HB2 HIS 4 -9.709 0.458 -0.077 26 HB3 HIS 4 HB3 HIS 4 -9.805 2.063 0.627 27 HD1 HIS 4 HD1 HIS 4 -11.295 2.589 -1.521 28 HD2 HIS 4 HD2 HIS 4 -7.304 1.783 -2.269 29 HE1 HIS 4 HE1 HIS 4 -10.914 3.230 -3.916 30 HE2 HIS 4 HE2 HIS 4 -8.657 2.207 -4.363 31 H TYR 5 H TYR 5 -5.989 2.698 -0.467 32 HA TYR 5 HA TYR 5 -5.030 4.651 -0.202 33 HB2 TYR 5 HB2 TYR 5 -7.465 5.323 1.418 34 HB3 TYR 5 HB3 TYR 5 -6.156 6.479 1.206 35 HD1 TYR 5 HD1 TYR 5 -5.728 7.465 -0.976 36 HD2 TYR 5 HD2 TYR 5 -8.928 4.735 -0.411 37 HE1 TYR 5 HE1 TYR 5 -6.691 8.158 -3.130 38 HE2 TYR 5 HE2 TYR 5 -9.898 5.423 -2.561 39 HH TYR 5 HH TYR 5 -9.846 7.144 -4.153 40 H GLY 6 H GLY 6 -4.650 2.417 1.769 41 HA2 GLY 6 HA2 GLY 6 -3.094 4.037 3.679 42 HA3 GLY 6 HA3 GLY 6 -3.609 2.375 3.974 43 H GLN 7 H GLN 7 -0.991 2.857 4.311 44 HA GLN 7 HA GLN 7 0.459 2.497 1.852 45 HB2 GLN 7 HB2 GLN 7 1.401 3.814 3.742 46 HB3 GLN 7 HB3 GLN 7 1.454 2.355 4.712 47 HG2 GLN 7 HG2 GLN 7 3.095 1.377 3.199 48 HG3 GLN 7 HG3 GLN 7 3.014 2.806 2.168 49 HE21 GLN 7 HE21 GLN 7 5.322 3.223 2.481 50 HE22 GLN 7 HE22 GLN 7 5.838 3.825 3.991 51 H CYS 8 H CYS 8 0.871 0.660 0.902 52 HA CYS 8 HA CYS 8 0.078 -1.854 2.214 53 HB2 CYS 8 HB2 CYS 8 0.036 -2.719 -0.084 54 HB3 CYS 8 HB3 CYS 8 -1.043 -1.349 0.179 55 H GLY 9 H GLY 9 2.865 -0.297 1.928 56 HA2 GLY 9 HA2 GLY 9 4.699 -1.700 2.839 57 HA3 GLY 9 HA3 GLY 9 4.247 -2.880 1.622 58 H GLY 10 H GLY 10 5.766 0.106 2.273 59 HA2 GLY 10 HA2 GLY 10 7.072 -0.027 -0.343 60 HA3 GLY 10 HA3 GLY 10 6.924 1.443 0.635 61 H ILE 11 H ILE 11 9.350 1.260 0.255 62 HA ILE 11 HA ILE 11 10.869 -0.658 1.639 63 HB ILE 11 HB ILE 11 11.664 2.237 1.156 64 HG12 ILE 11 HG12 ILE 11 12.021 -0.137 -0.698 65 HG13 ILE 11 HG13 ILE 11 10.845 1.146 -0.920 66 HG21 ILE 11 HG21 ILE 11 13.324 -0.272 1.472 67 HG22 ILE 11 HG22 ILE 11 13.153 1.018 2.663 68 HG23 ILE 11 HG23 ILE 11 13.955 1.339 1.125 69 HD11 ILE 11 HD11 ILE 11 13.834 1.484 -0.923 70 HD12 ILE 11 HD12 ILE 11 12.652 2.773 -1.154 71 HD13 ILE 11 HD13 ILE 11 12.786 1.475 -2.342 72 H GLY 12 H GLY 12 11.045 -0.962 3.775 73 HA2 GLY 12 HA2 GLY 12 11.620 -0.181 5.961 74 HA3 GLY 12 HA3 GLY 12 10.855 1.354 5.575 75 H TYR 13 H TYR 13 8.559 -0.130 4.397 76 HA TYR 13 HA TYR 13 7.025 -0.282 6.832 77 HB2 TYR 13 HB2 TYR 13 6.076 0.784 4.847 78 HB3 TYR 13 HB3 TYR 13 6.185 -0.701 3.940 79 HD1 TYR 13 HD1 TYR 13 4.239 1.287 6.184 80 HD2 TYR 13 HD2 TYR 13 4.653 -2.670 4.696 81 HE1 TYR 13 HE1 TYR 13 1.958 0.788 6.902 82 HE2 TYR 13 HE2 TYR 13 2.370 -3.186 5.403 83 HH TYR 13 HH TYR 13 0.153 -0.880 6.123 84 H SER 14 H SER 14 6.502 -2.078 7.879 85 HA SER 14 HA SER 14 7.038 -4.668 6.590 86 HB2 SER 14 HB2 SER 14 7.457 -4.055 9.501 87 HB3 SER 14 HB3 SER 14 8.123 -5.396 8.556 88 H GLY 15 H GLY 15 4.854 -5.223 6.238 89 HA2 GLY 15 HA2 GLY 15 3.351 -6.201 8.357 90 HA3 GLY 15 HA3 GLY 15 2.777 -4.574 8.011 91 HA PRO 16 HA PRO 16 0.208 -7.119 5.268 92 HB2 PRO 16 HB2 PRO 16 -1.420 -4.720 5.034 93 HB3 PRO 16 HB3 PRO 16 -1.867 -6.296 5.674 94 HG2 PRO 16 HG2 PRO 16 -1.585 -4.104 7.246 95 HG3 PRO 16 HG3 PRO 16 -1.253 -5.749 7.814 96 HD2 PRO 16 HD2 PRO 16 0.653 -3.614 6.964 97 HD3 PRO 16 HD3 PRO 16 0.780 -4.801 8.283 98 H THR 17 H THR 17 0.846 -7.329 3.239 99 HA THR 17 HA THR 17 1.437 -4.913 1.726 100 HB THR 17 HB THR 17 2.789 -6.495 0.300 101 HG1 THR 17 HG1 THR 17 2.693 -8.506 0.792 102 HG21 THR 17 HG21 THR 17 3.819 -4.979 1.910 103 HG22 THR 17 HG22 THR 17 4.678 -6.524 1.902 104 HG23 THR 17 HG23 THR 17 3.546 -6.142 3.202 105 H VAL 18 H VAL 18 -0.700 -7.540 1.948 106 HA VAL 18 HA VAL 18 -1.484 -7.353 -0.857 107 HB VAL 18 HB VAL 18 -2.501 -9.244 1.299 108 HG11 VAL 18 HG11 VAL 18 -4.133 -8.900 -0.475 109 HG12 VAL 18 HG12 VAL 18 -3.456 -10.529 -0.568 110 HG13 VAL 18 HG13 VAL 18 -2.914 -9.283 -1.690 111 HG21 VAL 18 HG21 VAL 18 -1.166 -10.978 0.177 112 HG22 VAL 18 HG22 VAL 18 -0.151 -9.684 0.813 113 HG23 VAL 18 HG23 VAL 18 -0.504 -9.759 -0.912 114 H CYS 19 H CYS 19 -2.929 -5.837 -1.274 115 HA CYS 19 HA CYS 19 -4.453 -4.613 0.798 116 HB2 CYS 19 HB2 CYS 19 -4.550 -4.204 -2.191 117 HB3 CYS 19 HB3 CYS 19 -5.225 -3.137 -0.965 118 H ALA 20 H ALA 20 -6.818 -4.220 0.461 119 HA ALA 20 HA ALA 20 -8.267 -6.609 0.503 120 HB1 ALA 20 HB1 ALA 20 -8.974 -4.559 1.649 121 HB2 ALA 20 HB2 ALA 20 -10.247 -5.182 0.603 122 HB3 ALA 20 HB3 ALA 20 -9.285 -3.796 0.091 123 H SER 21 H SER 21 -10.132 -7.136 -0.916 124 HA SER 21 HA SER 21 -9.336 -7.600 -3.527 125 HB2 SER 21 HB2 SER 21 -12.127 -7.607 -2.375 126 HB3 SER 21 HB3 SER 21 -11.562 -8.510 -3.782 127 HG SER 21 HG SER 21 -10.442 -9.833 -2.545 128 H GLY 22 H GLY 22 -9.267 -6.247 -5.194 129 HA2 GLY 22 HA2 GLY 22 -10.374 -4.850 -6.770 130 HA3 GLY 22 HA3 GLY 22 -11.356 -4.214 -5.456 131 H THR 23 H THR 23 -8.394 -4.346 -4.161 132 HA THR 23 HA THR 23 -7.684 -1.705 -5.206 133 HB THR 23 HB THR 23 -6.826 -1.075 -2.950 134 HG1 THR 23 HG1 THR 23 -7.509 -3.744 -2.383 135 HG21 THR 23 HG21 THR 23 -9.145 -0.535 -3.489 136 HG22 THR 23 HG22 THR 23 -8.962 -0.905 -1.776 137 HG23 THR 23 HG23 THR 23 -9.663 -2.101 -2.871 138 H THR 24 H THR 24 -5.495 -1.312 -5.574 139 HA THR 24 HA THR 24 -3.844 -3.735 -5.493 140 HB THR 24 HB THR 24 -2.697 -2.736 -7.525 141 HG1 THR 24 HG1 THR 24 -4.807 -0.890 -7.210 142 HG21 THR 24 HG21 THR 24 -4.413 -3.586 -9.083 143 HG22 THR 24 HG22 THR 24 -5.593 -3.563 -7.773 144 HG23 THR 24 HG23 THR 24 -4.204 -4.647 -7.693 145 H CYS 25 H CYS 25 -1.720 -3.540 -4.900 146 HA CYS 25 HA CYS 25 -1.068 -1.203 -3.348 147 HB2 CYS 25 HB2 CYS 25 -0.506 -3.420 -2.471 148 HB3 CYS 25 HB3 CYS 25 0.497 -3.738 -3.882 149 H GLN 26 H GLN 26 -0.603 0.511 -4.632 150 HA GLN 26 HA GLN 26 1.328 0.097 -6.801 151 HB2 GLN 26 HB2 GLN 26 -0.577 2.402 -6.355 152 HB3 GLN 26 HB3 GLN 26 0.499 2.204 -7.729 153 HG2 GLN 26 HG2 GLN 26 -0.730 0.175 -8.378 154 HG3 GLN 26 HG3 GLN 26 -1.817 0.416 -7.015 155 HE21 GLN 26 HE21 GLN 26 -3.605 0.624 -8.312 156 HE22 GLN 26 HE22 GLN 26 -3.903 2.010 -9.288 157 H VAL 27 H VAL 27 3.244 1.034 -6.719 158 HA VAL 27 HA VAL 27 4.069 2.339 -4.307 159 HB VAL 27 HB VAL 27 5.585 1.847 -6.896 160 HG11 VAL 27 HG11 VAL 27 6.600 3.632 -5.580 161 HG12 VAL 27 HG12 VAL 27 7.613 2.186 -5.554 162 HG13 VAL 27 HG13 VAL 27 6.616 2.591 -4.158 163 HG21 VAL 27 HG21 VAL 27 4.853 -0.233 -5.874 164 HG22 VAL 27 HG22 VAL 27 5.542 0.265 -4.329 165 HG23 VAL 27 HG23 VAL 27 6.599 -0.049 -5.705 166 H LEU 28 H LEU 28 3.771 4.418 -3.982 167 HA LEU 28 HA LEU 28 3.246 6.182 -6.265 168 HB2 LEU 28 HB2 LEU 28 2.860 6.690 -3.314 169 HB3 LEU 28 HB3 LEU 28 2.360 7.750 -4.611 170 HG LEU 28 HG LEU 28 1.204 5.039 -3.968 171 HD11 LEU 28 HD11 LEU 28 0.116 7.827 -3.720 172 HD12 LEU 28 HD12 LEU 28 0.528 6.734 -2.396 173 HD13 LEU 28 HD13 LEU 28 -0.813 6.353 -3.475 174 HD21 LEU 28 HD21 LEU 28 0.464 7.014 -6.109 175 HD22 LEU 28 HD22 LEU 28 -0.440 5.553 -5.686 176 HD23 LEU 28 HD23 LEU 28 1.186 5.418 -6.360 177 H ASN 29 H ASN 29 5.022 6.138 -3.223 178 HA ASN 29 HA ASN 29 6.899 8.157 -4.281 179 HB2 ASN 29 HB2 ASN 29 6.297 7.491 -1.358 180 HB3 ASN 29 HB3 ASN 29 7.393 8.718 -1.925 181 HD21 ASN 29 HD21 ASN 29 4.151 8.238 -3.194 182 HD22 ASN 29 HD22 ASN 29 3.467 9.671 -2.544 183 HA PRO 30 HA PRO 30 10.192 5.122 -3.845 184 HB2 PRO 30 HB2 PRO 30 11.371 6.602 -1.537 185 HB3 PRO 30 HB3 PRO 30 12.143 6.020 -3.017 186 HG2 PRO 30 HG2 PRO 30 11.596 8.594 -2.737 187 HG3 PRO 30 HG3 PRO 30 11.335 7.783 -4.293 188 HD2 PRO 30 HD2 PRO 30 9.356 8.603 -2.224 189 HD3 PRO 30 HD3 PRO 30 9.213 8.647 -3.995 190 H TYR 31 H TYR 31 9.024 6.232 -0.662 191 HA TYR 31 HA TYR 31 9.275 3.474 0.304 192 HB2 TYR 31 HB2 TYR 31 8.964 6.033 1.911 193 HB3 TYR 31 HB3 TYR 31 9.124 4.418 2.571 194 HD1 TYR 31 HD1 TYR 31 10.915 7.103 0.759 195 HD2 TYR 31 HD2 TYR 31 11.239 3.406 2.806 196 HE1 TYR 31 HE1 TYR 31 13.351 7.365 0.844 197 HE2 TYR 31 HE2 TYR 31 13.669 3.646 2.890 198 HH TYR 31 HH TYR 31 15.446 4.817 1.670 199 H TYR 32 H TYR 32 6.999 5.946 -0.486 200 HA TYR 32 HA TYR 32 4.918 4.631 1.058 201 HB2 TYR 32 HB2 TYR 32 5.141 7.199 0.845 202 HB3 TYR 32 HB3 TYR 32 4.482 6.964 -0.760 203 HD1 TYR 32 HD1 TYR 32 3.743 6.138 2.767 204 HD2 TYR 32 HD2 TYR 32 2.183 7.026 -1.091 205 HE1 TYR 32 HE1 TYR 32 1.481 6.207 3.711 206 HE2 TYR 32 HE2 TYR 32 -0.087 7.097 -0.150 207 HH TYR 32 HH TYR 32 -1.322 6.380 1.710 208 H SER 33 H SER 33 3.975 2.955 0.241 209 HA SER 33 HA SER 33 3.136 2.937 -2.572 210 HB2 SER 33 HB2 SER 33 3.532 0.589 -0.678 211 HB3 SER 33 HB3 SER 33 3.188 0.501 -2.408 212 HG SER 33 HG SER 33 5.417 0.185 -1.800 213 H GLN 34 H GLN 34 0.849 2.589 -2.826 214 HA GLN 34 HA GLN 34 -0.624 2.374 -0.308 215 HB2 GLN 34 HB2 GLN 34 -0.362 4.745 -0.758 216 HB3 GLN 34 HB3 GLN 34 -1.027 4.538 -2.367 217 HG2 GLN 34 HG2 GLN 34 -3.180 4.025 -1.478 218 HG3 GLN 34 HG3 GLN 34 -2.545 3.980 0.163 219 HE21 GLN 34 HE21 GLN 34 -3.559 5.993 -2.437 220 HE22 GLN 34 HE22 GLN 34 -3.463 7.490 -1.587 221 H CYS 35 H CYS 35 -2.597 1.386 -0.417 222 HA CYS 35 HA CYS 35 -3.165 -0.210 -2.697 223 HB2 CYS 35 HB2 CYS 35 -4.955 0.300 -0.314 224 HB3 CYS 35 HB3 CYS 35 -5.016 -1.012 -1.458 225 H LEU 36 H LEU 36 -3.999 0.631 -4.415 226 HA LEU 36 HA LEU 36 -6.136 2.610 -4.210 227 HB2 LEU 36 HB2 LEU 36 -4.110 2.149 -6.395 228 HB3 LEU 36 HB3 LEU 36 -5.471 3.243 -6.516 229 HG LEU 36 HG LEU 36 -3.197 3.525 -4.550 230 HD11 LEU 36 HD11 LEU 36 -2.474 3.907 -6.833 231 HD12 LEU 36 HD12 LEU 36 -2.539 5.422 -5.927 232 HD13 LEU 36 HD13 LEU 36 -3.814 5.026 -7.081 233 HD21 LEU 36 HD21 LEU 36 -4.161 5.769 -4.183 234 HD22 LEU 36 HD22 LEU 36 -5.240 4.476 -3.669 235 HD23 LEU 36 HD23 LEU 36 -5.537 5.321 -5.190 236 H1 MAN 101 H1 MAN 101 9.505 -3.486 10.220 237 H2 MAN 101 H2 MAN 101 10.479 -1.630 8.596 238 H3 MAN 101 H3 MAN 101 12.548 -1.959 7.750 239 H4 MAN 101 H4 MAN 101 12.889 -4.305 6.843 240 H5 MAN 101 H5 MAN 101 10.514 -5.578 7.290 241 H61 MAN 101 H61 MAN 101 12.820 -6.527 7.316 242 H62 MAN 101 H62 MAN 101 11.713 -7.246 8.519 243 HO2 MAN 101 HO2 MAN 101 11.856 -2.866 10.761 244 HO3 MAN 101 HO3 MAN 101 13.029 -4.051 9.612 245 HO4 MAN 101 HO4 MAN 101 11.575 -2.772 5.822 246 HO6 MAN 101 HO6 MAN 101 12.594 -5.884 10.074
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