NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
603552 | 2nc4 | 26006 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 -11.981 -4.494 3.487 2 H2 LYS 1 H2 LYS 1 -11.606 -5.345 4.830 3 H3 LYS 1 H3 LYS 1 -11.011 -5.813 3.380 4 HA LYS 1 HA LYS 1 -10.379 -3.303 4.790 5 HB2 LYS 1 HB2 LYS 1 -9.384 -5.344 5.845 6 HB3 LYS 1 HB3 LYS 1 -8.534 -5.682 4.338 7 HG2 LYS 1 HG2 LYS 1 -7.449 -3.347 4.586 8 HG3 LYS 1 HG3 LYS 1 -8.222 -3.261 6.166 9 HD2 LYS 1 HD2 LYS 1 -5.991 -3.965 6.553 10 HD3 LYS 1 HD3 LYS 1 -6.990 -5.408 6.786 11 HE2 LYS 1 HE2 LYS 1 -6.407 -6.155 4.466 12 HE3 LYS 1 HE3 LYS 1 -5.447 -4.684 4.249 13 HZ1 LYS 1 HZ1 LYS 1 -4.030 -5.449 6.098 14 HZ2 LYS 1 HZ2 LYS 1 -4.881 -6.844 6.200 15 HZ3 LYS 1 HZ3 LYS 1 -4.016 -6.504 4.850 16 H LEU 2 H LEU 2 -8.814 -5.300 2.243 17 HA LEU 2 HA LEU 2 -8.470 -2.860 0.564 18 HB2 LEU 2 HB2 LEU 2 -6.770 -5.339 0.980 19 HB3 LEU 2 HB3 LEU 2 -6.506 -4.226 -0.366 20 HG LEU 2 HG LEU 2 -6.444 -3.275 2.514 21 HD11 LEU 2 HD11 LEU 2 -4.117 -4.149 0.759 22 HD12 LEU 2 HD12 LEU 2 -4.002 -3.412 2.375 23 HD13 LEU 2 HD13 LEU 2 -4.727 -5.017 2.184 24 HD21 LEU 2 HD21 LEU 2 -5.245 -2.140 -0.043 25 HD22 LEU 2 HD22 LEU 2 -6.722 -1.528 0.733 26 HD23 LEU 2 HD23 LEU 2 -5.174 -1.406 1.572 27 HA PRO 3 HA PRO 3 -10.761 -4.782 -2.682 28 HB2 PRO 3 HB2 PRO 3 -8.814 -4.039 -4.790 29 HB3 PRO 3 HB3 PRO 3 -10.485 -3.466 -4.540 30 HG2 PRO 3 HG2 PRO 3 -8.279 -1.899 -4.055 31 HG3 PRO 3 HG3 PRO 3 -9.800 -1.760 -3.105 32 HD2 PRO 3 HD2 PRO 3 -7.258 -3.230 -2.409 33 HD3 PRO 3 HD3 PRO 3 -8.255 -2.150 -1.391 34 HA PRO 4 HA PRO 4 -9.601 -8.824 -3.747 35 HB2 PRO 4 HB2 PRO 4 -9.873 -8.261 -6.709 36 HB3 PRO 4 HB3 PRO 4 -10.498 -9.650 -5.759 37 HG2 PRO 4 HG2 PRO 4 -12.153 -7.609 -6.375 38 HG3 PRO 4 HG3 PRO 4 -12.155 -8.266 -4.703 39 HD2 PRO 4 HD2 PRO 4 -10.772 -5.783 -5.749 40 HD3 PRO 4 HD3 PRO 4 -11.731 -6.000 -4.251 41 H GLY 5 H GLY 5 -7.703 -9.738 -3.532 42 HA2 GLY 5 HA2 GLY 5 -5.602 -10.556 -4.040 43 HA3 GLY 5 HA3 GLY 5 -5.544 -9.531 -5.488 44 H TRP 6 H TRP 6 -6.189 -7.189 -3.374 45 HA TRP 6 HA TRP 6 -3.386 -6.431 -3.096 46 HB2 TRP 6 HB2 TRP 6 -5.955 -5.080 -2.308 47 HB3 TRP 6 HB3 TRP 6 -4.353 -4.387 -2.022 48 HD1 TRP 6 HD1 TRP 6 -6.879 -5.046 -4.753 49 HE1 TRP 6 HE1 TRP 6 -6.264 -3.748 -6.879 50 HE3 TRP 6 HE3 TRP 6 -2.149 -3.638 -3.441 51 HZ2 TRP 6 HZ2 TRP 6 -3.866 -2.608 -8.005 52 HZ3 TRP 6 HZ3 TRP 6 -0.684 -2.491 -5.094 53 HH2 TRP 6 HH2 TRP 6 -1.523 -1.970 -7.372 54 H GLU 7 H GLU 7 -2.109 -6.338 -1.367 55 HA GLU 7 HA GLU 7 -3.162 -6.389 1.358 56 HB2 GLU 7 HB2 GLU 7 -2.984 -8.754 0.934 57 HB3 GLU 7 HB3 GLU 7 -1.385 -8.569 0.241 58 HG2 GLU 7 HG2 GLU 7 -1.330 -9.656 2.404 59 HG3 GLU 7 HG3 GLU 7 -0.389 -8.182 2.379 60 H LYS 8 H LYS 8 -1.589 -5.674 2.945 61 HA LYS 8 HA LYS 8 0.315 -3.721 1.922 62 HB2 LYS 8 HB2 LYS 8 -0.335 -4.708 4.707 63 HB3 LYS 8 HB3 LYS 8 1.046 -3.641 4.399 64 HG2 LYS 8 HG2 LYS 8 -0.390 -1.952 3.368 65 HG3 LYS 8 HG3 LYS 8 -1.795 -3.021 3.534 66 HD2 LYS 8 HD2 LYS 8 -1.929 -1.405 5.291 67 HD3 LYS 8 HD3 LYS 8 -1.479 -2.943 6.041 68 HE2 LYS 8 HE2 LYS 8 0.929 -2.185 6.044 69 HE3 LYS 8 HE3 LYS 8 0.419 -0.658 5.317 70 HZ1 LYS 8 HZ1 LYS 8 -0.459 -1.652 7.976 71 HZ2 LYS 8 HZ2 LYS 8 0.638 -0.470 7.729 72 HZ3 LYS 8 HZ3 LYS 8 -0.922 -0.234 7.307 73 H ARG 9 H ARG 9 2.427 -3.621 1.955 74 HA ARG 9 HA ARG 9 4.144 -5.978 2.517 75 HB2 ARG 9 HB2 ARG 9 3.170 -6.098 0.165 76 HB3 ARG 9 HB3 ARG 9 4.073 -4.633 -0.226 77 HG2 ARG 9 HG2 ARG 9 6.187 -5.790 0.086 78 HG3 ARG 9 HG3 ARG 9 5.368 -7.190 0.829 79 HD2 ARG 9 HD2 ARG 9 4.237 -7.692 -1.297 80 HD3 ARG 9 HD3 ARG 9 5.000 -6.267 -2.047 81 HE ARG 9 HE ARG 9 6.932 -8.112 -0.883 82 HH11 ARG 9 HH11 ARG 9 8.380 -9.125 -2.213 83 HH12 ARG 9 HH12 ARG 9 8.054 -9.256 -3.920 84 HH21 ARG 9 HH21 ARG 9 5.042 -7.636 -3.809 85 HH22 ARG 9 HH22 ARG 9 6.234 -8.424 -4.799 86 H MET 10 H MET 10 6.546 -5.321 2.159 87 HA MET 10 HA MET 10 7.045 -2.464 2.683 88 HB2 MET 10 HB2 MET 10 6.260 -3.483 4.854 89 HB3 MET 10 HB3 MET 10 7.639 -4.583 4.784 90 HG2 MET 10 HG2 MET 10 9.154 -2.546 4.785 91 HG3 MET 10 HG3 MET 10 7.710 -1.552 4.958 92 HE1 MET 10 HE1 MET 10 10.322 -3.841 6.612 93 HE2 MET 10 HE2 MET 10 9.605 -4.262 8.182 94 HE3 MET 10 HE3 MET 10 8.943 -4.963 6.692 95 H PHE 11 H PHE 11 9.001 -1.808 2.190 96 HA PHE 11 HA PHE 11 10.935 -3.537 0.895 97 HB2 PHE 11 HB2 PHE 11 10.893 -0.589 1.554 98 HB3 PHE 11 HB3 PHE 11 12.212 -1.373 0.683 99 HD1 PHE 11 HD1 PHE 11 11.653 -2.634 -1.519 100 HD2 PHE 11 HD2 PHE 11 9.003 0.215 0.343 101 HE1 PHE 11 HE1 PHE 11 10.495 -2.276 -3.687 102 HE2 PHE 11 HE2 PHE 11 7.873 0.586 -1.809 103 HZ PHE 11 HZ PHE 11 8.610 -0.656 -3.845 104 H ALA 12 H ALA 12 13.250 -3.589 1.379 105 HA ALA 12 HA ALA 12 13.803 -4.497 4.006 106 HB1 ALA 12 HB1 ALA 12 16.126 -4.623 3.185 107 HB2 ALA 12 HB2 ALA 12 14.986 -5.223 1.966 108 HB3 ALA 12 HB3 ALA 12 15.705 -3.602 1.794 109 H ASN 13 H ASN 13 13.923 -1.235 2.774 110 HA ASN 13 HA ASN 13 15.550 -0.161 4.974 111 HB2 ASN 13 HB2 ASN 13 15.134 2.009 3.895 112 HB3 ASN 13 HB3 ASN 13 15.731 0.803 2.744 113 HD21 ASN 13 HD21 ASN 13 14.865 2.406 1.182 114 H GLY 14 H GLY 14 12.385 -1.253 4.930 115 HA2 GLY 14 HA2 GLY 14 10.857 -1.121 6.683 116 HA3 GLY 14 HA3 GLY 14 11.660 0.323 7.322 117 H THR 15 H THR 15 10.787 0.356 3.918 118 HA THR 15 HA THR 15 8.704 2.414 4.423 119 HB THR 15 HB THR 15 9.999 1.436 1.856 120 HG1 THR 15 HG1 THR 15 11.438 2.423 3.108 121 HG21 THR 15 HG21 THR 15 7.887 2.416 1.282 122 HG22 THR 15 HG22 THR 15 8.171 3.797 2.379 123 HG23 THR 15 HG23 THR 15 9.158 3.586 0.912 124 H VAL 16 H VAL 16 6.570 1.957 4.321 125 HA VAL 16 HA VAL 16 5.683 -0.754 3.478 126 HB VAL 16 HB VAL 16 4.393 1.499 5.058 127 HG11 VAL 16 HG11 VAL 16 2.551 0.469 3.813 128 HG12 VAL 16 HG12 VAL 16 3.114 -1.157 4.278 129 HG13 VAL 16 HG13 VAL 16 2.498 -0.021 5.502 130 HG21 VAL 16 HG21 VAL 16 4.389 -0.167 6.876 131 HG22 VAL 16 HG22 VAL 16 5.126 -1.368 5.800 132 HG23 VAL 16 HG23 VAL 16 6.038 0.086 6.275 133 H TYR 17 H TYR 17 4.187 -1.142 1.933 134 HA TYR 17 HA TYR 17 2.874 0.988 0.387 135 HB2 TYR 17 HB2 TYR 17 3.826 0.344 -1.724 136 HB3 TYR 17 HB3 TYR 17 5.131 0.762 -0.651 137 HD1 TYR 17 HD1 TYR 17 6.535 -1.109 0.409 138 HD2 TYR 17 HD2 TYR 17 3.750 -1.771 -2.819 139 HE1 TYR 17 HE1 TYR 17 7.803 -3.135 -0.277 140 HE2 TYR 17 HE2 TYR 17 4.995 -3.828 -3.470 141 HH TYR 17 HH TYR 17 8.055 -4.741 -1.873 142 H TYR 18 H TYR 18 1.663 -0.277 -1.518 143 HA TYR 18 HA TYR 18 0.300 -2.660 -0.331 144 HB2 TYR 18 HB2 TYR 18 -0.783 -0.534 -2.208 145 HB3 TYR 18 HB3 TYR 18 -1.664 -1.945 -1.607 146 HD1 TYR 18 HD1 TYR 18 -2.377 -2.097 0.761 147 HD2 TYR 18 HD2 TYR 18 -0.350 1.391 -0.766 148 HE1 TYR 18 HE1 TYR 18 -3.045 -0.819 2.792 149 HE2 TYR 18 HE2 TYR 18 -1.002 2.663 1.279 150 HH TYR 18 HH TYR 18 -2.966 1.183 3.875 151 H PHE 19 H PHE 19 0.090 -4.493 -1.517 152 HA PHE 19 HA PHE 19 1.088 -4.529 -4.329 153 HB2 PHE 19 HB2 PHE 19 2.975 -5.029 -2.949 154 HB3 PHE 19 HB3 PHE 19 2.057 -6.232 -2.032 155 HD1 PHE 19 HD1 PHE 19 3.246 -5.373 -5.439 156 HD2 PHE 19 HD2 PHE 19 1.968 -8.551 -2.814 157 HE1 PHE 19 HE1 PHE 19 3.827 -7.008 -7.166 158 HE2 PHE 19 HE2 PHE 19 2.634 -10.216 -4.527 159 HZ PHE 19 HZ PHE 19 3.553 -9.467 -6.715 160 H ASN 20 H ASN 20 0.051 -5.801 -5.736 161 HA ASN 20 HA ASN 20 -2.235 -7.392 -4.713 162 HB2 ASN 20 HB2 ASN 20 -2.526 -5.598 -6.467 163 HB3 ASN 20 HB3 ASN 20 -1.628 -6.640 -7.583 164 HD21 ASN 20 HD21 ASN 20 -4.684 -5.775 -6.837 165 HD22 ASN 20 HD22 ASN 20 -5.524 -7.285 -7.123 166 H HIS 21 H HIS 21 -1.874 -9.499 -4.349 167 HA HIS 21 HA HIS 21 0.470 -10.844 -5.414 168 HB2 HIS 21 HB2 HIS 21 0.041 -12.477 -3.898 169 HB3 HIS 21 HB3 HIS 21 -0.771 -11.124 -3.116 170 HD2 HIS 21 HD2 HIS 21 -3.402 -11.354 -2.726 171 HE1 HIS 21 HE1 HIS 21 -3.917 -15.247 -4.385 172 HE2 HIS 21 HE2 HIS 21 -5.030 -13.403 -3.027 173 H ILE 22 H ILE 22 -2.793 -10.565 -6.568 174 HA ILE 22 HA ILE 22 -2.780 -13.006 -8.192 175 HB ILE 22 HB ILE 22 -4.717 -10.643 -8.111 176 HG12 ILE 22 HG12 ILE 22 -4.722 -13.302 -6.595 177 HG13 ILE 22 HG13 ILE 22 -4.578 -11.681 -5.905 178 HG21 ILE 22 HG21 ILE 22 -6.312 -12.180 -9.190 179 HG22 ILE 22 HG22 ILE 22 -4.893 -11.976 -10.192 180 HG23 ILE 22 HG23 ILE 22 -5.074 -13.459 -9.227 181 HD11 ILE 22 HD11 ILE 22 -6.908 -11.180 -6.736 182 HD12 ILE 22 HD12 ILE 22 -7.056 -12.908 -7.147 183 HD13 ILE 22 HD13 ILE 22 -6.785 -12.419 -5.469 184 H THR 23 H THR 23 -2.438 -9.513 -8.682 185 HA THR 23 HA THR 23 -1.961 -9.891 -11.588 186 HB THR 23 HB THR 23 -2.772 -7.741 -11.969 187 HG1 THR 23 HG1 THR 23 -3.440 -6.639 -9.856 188 HG21 THR 23 HG21 THR 23 -4.512 -8.685 -9.650 189 HG22 THR 23 HG22 THR 23 -4.977 -7.663 -11.024 190 HG23 THR 23 HG23 THR 23 -4.578 -9.369 -11.291 191 H ASN 24 H ASN 24 -0.095 -9.269 -8.886 192 HA ASN 24 HA ASN 24 1.931 -8.505 -8.451 193 HB2 ASN 24 HB2 ASN 24 2.523 -8.787 -11.414 194 HB3 ASN 24 HB3 ASN 24 3.716 -8.594 -10.122 195 HD21 ASN 24 HD21 ASN 24 2.245 -10.903 -12.022 196 HD22 ASN 24 HD22 ASN 24 2.537 -12.287 -10.963 197 H ALA 25 H ALA 25 -0.281 -6.540 -9.493 198 HA ALA 25 HA ALA 25 1.180 -4.135 -10.146 199 HB1 ALA 25 HB1 ALA 25 -0.946 -3.020 -9.635 200 HB2 ALA 25 HB2 ALA 25 -1.223 -4.458 -10.635 201 HB3 ALA 25 HB3 ALA 25 -1.572 -4.505 -8.892 202 H SER 26 H SER 26 1.520 -2.277 -8.765 203 HA SER 26 HA SER 26 1.530 -2.709 -5.848 204 HB2 SER 26 HB2 SER 26 3.829 -1.971 -5.567 205 HB3 SER 26 HB3 SER 26 3.731 -3.490 -6.461 206 HG SER 26 HG SER 26 4.141 -2.400 -8.355 207 H GLN 27 H GLN 27 1.483 -0.810 -4.609 208 HA GLN 27 HA GLN 27 1.556 1.836 -5.941 209 HB2 GLN 27 HB2 GLN 27 -0.899 0.710 -4.523 210 HB3 GLN 27 HB3 GLN 27 -0.578 2.440 -4.709 211 HG2 GLN 27 HG2 GLN 27 -0.517 2.198 -7.149 212 HG3 GLN 27 HG3 GLN 27 -0.973 0.489 -6.987 213 HE21 GLN 27 HE21 GLN 27 -2.586 2.544 -4.619 214 HE22 GLN 27 HE22 GLN 27 -4.050 2.766 -5.584 215 H PHE 28 H PHE 28 2.201 3.485 -4.677 216 HA PHE 28 HA PHE 28 2.900 2.983 -1.876 217 HB2 PHE 28 HB2 PHE 28 3.339 5.322 -3.716 218 HB3 PHE 28 HB3 PHE 28 3.628 5.422 -1.977 219 HD1 PHE 28 HD1 PHE 28 4.910 4.117 -5.145 220 HD2 PHE 28 HD2 PHE 28 5.340 3.999 -0.854 221 HE1 PHE 28 HE1 PHE 28 7.186 3.152 -5.399 222 HE2 PHE 28 HE2 PHE 28 7.620 3.048 -1.114 223 HZ PHE 28 HZ PHE 28 8.547 2.624 -3.383 224 H GLU 29 H GLU 29 0.146 4.127 -3.458 225 HA GLU 29 HA GLU 29 -1.009 5.271 -0.957 226 HB2 GLU 29 HB2 GLU 29 -0.957 6.961 -2.619 227 HB3 GLU 29 HB3 GLU 29 -1.477 5.856 -3.879 228 HG2 GLU 29 HG2 GLU 29 -3.215 7.423 -3.399 229 HG3 GLU 29 HG3 GLU 29 -3.741 5.795 -3.012 230 H ARG 30 H ARG 30 -3.072 4.671 -0.324 231 HA ARG 30 HA ARG 30 -3.554 1.907 -0.409 232 HB2 ARG 30 HB2 ARG 30 -4.104 3.284 1.457 233 HB3 ARG 30 HB3 ARG 30 -5.302 4.193 0.548 234 HG2 ARG 30 HG2 ARG 30 -5.632 1.198 0.759 235 HG3 ARG 30 HG3 ARG 30 -5.937 2.172 2.203 236 HD2 ARG 30 HD2 ARG 30 -7.834 3.142 1.379 237 HD3 ARG 30 HD3 ARG 30 -7.234 3.199 -0.271 238 HE ARG 30 HE ARG 30 -8.120 1.154 -0.752 239 HH11 ARG 30 HH11 ARG 30 -9.187 -0.100 2.865 240 HH12 ARG 30 HH12 ARG 30 -8.175 1.328 2.769 241 HH21 ARG 30 HH21 ARG 30 -9.569 -0.462 -0.500 242 HH22 ARG 30 HH22 ARG 30 -9.909 -1.078 1.116 243 HA PRO 31 HA PRO 31 -5.517 1.695 -4.383 244 HB2 PRO 31 HB2 PRO 31 -5.844 -1.001 -4.644 245 HB3 PRO 31 HB3 PRO 31 -4.226 -0.228 -4.592 246 HG2 PRO 31 HG2 PRO 31 -5.761 -1.475 -2.284 247 HG3 PRO 31 HG3 PRO 31 -4.070 -1.809 -2.783 248 HD2 PRO 31 HD2 PRO 31 -4.607 -0.055 -0.809 249 HD3 PRO 31 HD3 PRO 31 -3.321 0.280 -2.006 250 H SER 32 H SER 32 -7.448 1.224 -5.505 251 HA SER 32 HA SER 32 -9.854 0.539 -3.866 252 HB2 SER 32 HB2 SER 32 -9.540 3.005 -4.076 253 HB3 SER 32 HB3 SER 32 -9.674 2.840 -5.835 254 HG SER 32 HG SER 32 -11.746 1.830 -5.418 255 H GLY 33 H GLY 33 -8.131 -0.701 -6.254 256 HA2 GLY 33 HA2 GLY 33 -9.957 -2.504 -7.263 257 HA3 GLY 33 HA3 GLY 33 -10.075 -1.149 -8.386 258 H1 GAL 101 H1 GAL 34 11.989 1.819 0.628 259 H2 GAL 101 H2 GAL 34 13.670 4.151 -0.440 260 H3 GAL 101 H3 GAL 34 10.739 3.386 -0.876 261 H4 GAL 101 H4 GAL 34 11.357 2.858 -3.177 262 H5 GAL 101 H5 GAL 34 11.596 0.979 -1.659 263 H61 GAL 101 H61 GAL 34 12.384 0.353 -3.853 264 H62 GAL 101 H62 GAL 34 13.958 1.135 -3.584 265 HO2 GAL 101 H2O GAL 34 11.654 4.014 1.590 266 HO3 GAL 101 H3O GAL 34 11.357 5.685 -0.922 267 HO4 GAL 101 H4O GAL 34 13.087 4.468 -3.152 268 HO6 GAL 101 H6O GAL 34 14.079 -0.323 -1.682 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 -10.557 -6.332 3.782 2 H2 LYS 1 H2 LYS 1 -11.529 -5.041 4.059 3 H3 LYS 1 H3 LYS 1 -11.052 -5.985 5.302 4 HA LYS 1 HA LYS 1 -9.850 -3.926 5.331 5 HB2 LYS 1 HB2 LYS 1 -8.762 -5.999 6.178 6 HB3 LYS 1 HB3 LYS 1 -8.041 -6.263 4.593 7 HG2 LYS 1 HG2 LYS 1 -6.903 -3.969 4.853 8 HG3 LYS 1 HG3 LYS 1 -7.566 -3.920 6.486 9 HD2 LYS 1 HD2 LYS 1 -5.335 -4.671 6.717 10 HD3 LYS 1 HD3 LYS 1 -6.332 -6.117 6.941 11 HE2 LYS 1 HE2 LYS 1 -5.896 -6.748 4.549 12 HE3 LYS 1 HE3 LYS 1 -4.925 -5.280 4.361 13 HZ1 LYS 1 HZ1 LYS 1 -4.290 -7.555 6.155 14 HZ2 LYS 1 HZ2 LYS 1 -3.489 -7.146 4.784 15 HZ3 LYS 1 HZ3 LYS 1 -3.426 -6.167 6.090 16 H LEU 2 H LEU 2 -8.385 -5.693 2.574 17 HA LEU 2 HA LEU 2 -8.154 -3.142 1.060 18 HB2 LEU 2 HB2 LEU 2 -6.525 -5.699 1.241 19 HB3 LEU 2 HB3 LEU 2 -6.354 -4.624 -0.146 20 HG LEU 2 HG LEU 2 -6.014 -3.572 2.673 21 HD11 LEU 2 HD11 LEU 2 -3.841 -4.616 0.819 22 HD12 LEU 2 HD12 LEU 2 -3.611 -3.855 2.408 23 HD13 LEU 2 HD13 LEU 2 -4.405 -5.436 2.289 24 HD21 LEU 2 HD21 LEU 2 -6.335 -1.975 0.725 25 HD22 LEU 2 HD22 LEU 2 -4.796 -1.797 1.570 26 HD23 LEU 2 HD23 LEU 2 -4.864 -2.640 0.006 27 HA PRO 3 HA PRO 3 -10.680 -4.758 -2.217 28 HB2 PRO 3 HB2 PRO 3 -8.805 -3.919 -4.351 29 HB3 PRO 3 HB3 PRO 3 -10.446 -3.319 -3.983 30 HG2 PRO 3 HG2 PRO 3 -8.167 -1.852 -3.497 31 HG3 PRO 3 HG3 PRO 3 -9.646 -1.727 -2.482 32 HD2 PRO 3 HD2 PRO 3 -7.124 -3.304 -1.971 33 HD3 PRO 3 HD3 PRO 3 -8.067 -2.273 -0.854 34 HA PRO 4 HA PRO 4 -9.668 -8.745 -3.549 35 HB2 PRO 4 HB2 PRO 4 -10.048 -8.018 -6.464 36 HB3 PRO 4 HB3 PRO 4 -10.672 -9.439 -5.561 37 HG2 PRO 4 HG2 PRO 4 -12.291 -7.324 -5.998 38 HG3 PRO 4 HG3 PRO 4 -12.242 -8.070 -4.364 39 HD2 PRO 4 HD2 PRO 4 -10.833 -5.571 -5.337 40 HD3 PRO 4 HD3 PRO 4 -11.733 -5.844 -3.812 41 H GLY 5 H GLY 5 -7.779 -9.686 -3.425 42 HA2 GLY 5 HA2 GLY 5 -5.742 -10.564 -4.081 43 HA3 GLY 5 HA3 GLY 5 -5.723 -9.487 -5.491 44 H TRP 6 H TRP 6 -6.165 -7.215 -3.247 45 HA TRP 6 HA TRP 6 -3.332 -6.548 -3.142 46 HB2 TRP 6 HB2 TRP 6 -5.800 -5.166 -2.136 47 HB3 TRP 6 HB3 TRP 6 -4.166 -4.521 -1.920 48 HD1 TRP 6 HD1 TRP 6 -6.898 -4.979 -4.477 49 HE1 TRP 6 HE1 TRP 6 -6.401 -3.600 -6.584 50 HE3 TRP 6 HE3 TRP 6 -2.026 -3.809 -3.491 51 HZ2 TRP 6 HZ2 TRP 6 -4.053 -2.502 -7.850 52 HZ3 TRP 6 HZ3 TRP 6 -0.651 -2.637 -5.200 53 HH2 TRP 6 HH2 TRP 6 -1.645 -1.981 -7.380 54 H GLU 7 H GLU 7 -1.938 -6.462 -1.474 55 HA GLU 7 HA GLU 7 -2.837 -6.769 1.306 56 HB2 GLU 7 HB2 GLU 7 -2.505 -9.062 0.686 57 HB3 GLU 7 HB3 GLU 7 -0.978 -8.696 -0.093 58 HG2 GLU 7 HG2 GLU 7 -0.655 -9.919 1.962 59 HG3 GLU 7 HG3 GLU 7 0.130 -8.356 2.008 60 H LYS 8 H LYS 8 -1.362 -5.993 2.864 61 HA LYS 8 HA LYS 8 0.451 -3.883 1.947 62 HB2 LYS 8 HB2 LYS 8 -0.399 -4.896 4.665 63 HB3 LYS 8 HB3 LYS 8 1.042 -3.880 4.508 64 HG2 LYS 8 HG2 LYS 8 -0.243 -2.133 3.352 65 HG3 LYS 8 HG3 LYS 8 -1.702 -3.139 3.457 66 HD2 LYS 8 HD2 LYS 8 -1.825 -1.473 5.180 67 HD3 LYS 8 HD3 LYS 8 -1.535 -3.033 5.966 68 HE2 LYS 8 HE2 LYS 8 0.897 -2.467 6.148 69 HE3 LYS 8 HE3 LYS 8 0.592 -0.930 5.333 70 HZ1 LYS 8 HZ1 LYS 8 -0.848 -0.303 7.193 71 HZ2 LYS 8 HZ2 LYS 8 -0.577 -1.730 7.945 72 HZ3 LYS 8 HZ3 LYS 8 0.644 -0.666 7.746 73 H ARG 9 H ARG 9 2.520 -3.730 1.923 74 HA ARG 9 HA ARG 9 4.332 -5.997 2.681 75 HB2 ARG 9 HB2 ARG 9 4.600 -4.312 0.180 76 HB3 ARG 9 HB3 ARG 9 5.574 -5.709 0.620 77 HG2 ARG 9 HG2 ARG 9 2.721 -5.637 -0.402 78 HG3 ARG 9 HG3 ARG 9 4.170 -6.246 -1.214 79 HD2 ARG 9 HD2 ARG 9 2.577 -7.542 0.998 80 HD3 ARG 9 HD3 ARG 9 2.925 -8.136 -0.619 81 HE ARG 9 HE ARG 9 5.231 -8.554 0.024 82 HH11 ARG 9 HH11 ARG 9 3.095 -8.034 2.795 83 HH12 ARG 9 HH12 ARG 9 4.082 -9.054 3.811 84 HH21 ARG 9 HH21 ARG 9 6.450 -9.730 1.427 85 HH22 ARG 9 HH22 ARG 9 5.929 -9.944 3.075 86 H MET 10 H MET 10 6.671 -5.208 2.627 87 HA MET 10 HA MET 10 7.074 -2.348 3.035 88 HB2 MET 10 HB2 MET 10 6.249 -3.193 5.273 89 HB3 MET 10 HB3 MET 10 7.667 -4.244 5.338 90 HG2 MET 10 HG2 MET 10 9.109 -2.158 5.155 91 HG3 MET 10 HG3 MET 10 7.628 -1.207 5.209 92 HE1 MET 10 HE1 MET 10 8.973 -4.374 7.287 93 HE2 MET 10 HE2 MET 10 10.303 -3.206 7.113 94 HE3 MET 10 HE3 MET 10 9.580 -3.503 8.709 95 H PHE 11 H PHE 11 9.037 -1.718 2.491 96 HA PHE 11 HA PHE 11 11.027 -3.549 1.449 97 HB2 PHE 11 HB2 PHE 11 10.931 -0.548 1.787 98 HB3 PHE 11 HB3 PHE 11 12.299 -1.400 1.063 99 HD1 PHE 11 HD1 PHE 11 11.816 -2.952 -0.989 100 HD2 PHE 11 HD2 PHE 11 9.125 0.118 0.405 101 HE1 PHE 11 HE1 PHE 11 10.733 -2.869 -3.225 102 HE2 PHE 11 HE2 PHE 11 8.072 0.219 -1.817 103 HZ PHE 11 HZ PHE 11 8.869 -1.274 -3.652 104 H ALA 12 H ALA 12 13.323 -3.528 1.995 105 HA ALA 12 HA ALA 12 13.835 -4.116 4.724 106 HB1 ALA 12 HB1 ALA 12 15.765 -3.439 2.458 107 HB2 ALA 12 HB2 ALA 12 16.179 -4.278 3.969 108 HB3 ALA 12 HB3 ALA 12 15.082 -5.046 2.807 109 H ASN 13 H ASN 13 13.925 -1.023 3.101 110 HA ASN 13 HA ASN 13 15.473 0.344 5.188 111 HB2 ASN 13 HB2 ASN 13 15.076 2.347 3.848 112 HB3 ASN 13 HB3 ASN 13 15.664 1.015 2.841 113 HD21 ASN 13 HD21 ASN 13 14.810 2.457 1.123 114 H GLY 14 H GLY 14 12.335 -0.817 5.224 115 HA2 GLY 14 HA2 GLY 14 10.774 -0.519 6.924 116 HA3 GLY 14 HA3 GLY 14 11.535 1.007 7.406 117 H THR 15 H THR 15 10.741 0.680 4.004 118 HA THR 15 HA THR 15 8.579 2.703 4.261 119 HB THR 15 HB THR 15 9.995 1.532 1.843 120 HG1 THR 15 HG1 THR 15 11.333 2.712 3.049 121 HG21 THR 15 HG21 THR 15 7.888 2.337 1.069 122 HG22 THR 15 HG22 THR 15 8.017 3.817 2.062 123 HG23 THR 15 HG23 THR 15 9.099 3.562 0.672 124 H VAL 16 H VAL 16 6.462 2.186 4.096 125 HA VAL 16 HA VAL 16 5.667 -0.621 3.508 126 HB VAL 16 HB VAL 16 4.274 1.761 4.780 127 HG11 VAL 16 HG11 VAL 16 2.506 0.580 3.559 128 HG12 VAL 16 HG12 VAL 16 3.050 -0.976 4.234 129 HG13 VAL 16 HG13 VAL 16 2.366 0.285 5.287 130 HG21 VAL 16 HG21 VAL 16 5.882 0.506 6.203 131 HG22 VAL 16 HG22 VAL 16 4.215 0.300 6.763 132 HG23 VAL 16 HG23 VAL 16 5.004 -1.001 5.851 133 H TYR 17 H TYR 17 4.245 -1.193 1.919 134 HA TYR 17 HA TYR 17 2.996 0.785 0.137 135 HB2 TYR 17 HB2 TYR 17 4.035 0.004 -1.882 136 HB3 TYR 17 HB3 TYR 17 5.297 0.508 -0.796 137 HD1 TYR 17 HD1 TYR 17 6.646 -1.284 0.467 138 HD2 TYR 17 HD2 TYR 17 4.035 -2.178 -2.861 139 HE1 TYR 17 HE1 TYR 17 7.906 -3.383 0.037 140 HE2 TYR 17 HE2 TYR 17 5.276 -4.297 -3.256 141 HH TYR 17 HH TYR 17 8.147 -5.195 -1.327 142 H TYR 18 H TYR 18 1.895 -0.605 -1.712 143 HA TYR 18 HA TYR 18 0.525 -2.962 -0.482 144 HB2 TYR 18 HB2 TYR 18 -0.613 -0.789 -2.279 145 HB3 TYR 18 HB3 TYR 18 -1.485 -2.202 -1.670 146 HD1 TYR 18 HD1 TYR 18 -0.122 1.126 -0.806 147 HD2 TYR 18 HD2 TYR 18 -2.196 -2.352 0.682 148 HE1 TYR 18 HE1 TYR 18 -0.698 2.364 1.265 149 HE2 TYR 18 HE2 TYR 18 -2.833 -1.078 2.731 150 HH TYR 18 HH TYR 18 -1.755 2.277 3.289 151 H PHE 19 H PHE 19 0.229 -4.758 -1.732 152 HA PHE 19 HA PHE 19 1.082 -4.712 -4.600 153 HB2 PHE 19 HB2 PHE 19 3.014 -5.383 -3.322 154 HB3 PHE 19 HB3 PHE 19 2.051 -6.599 -2.458 155 HD1 PHE 19 HD1 PHE 19 3.125 -5.584 -5.863 156 HD2 PHE 19 HD2 PHE 19 1.883 -8.848 -3.336 157 HE1 PHE 19 HE1 PHE 19 3.585 -7.147 -7.690 158 HE2 PHE 19 HE2 PHE 19 2.418 -10.446 -5.156 159 HZ PHE 19 HZ PHE 19 3.265 -9.617 -7.345 160 H ASN 20 H ASN 20 -0.089 -5.905 -5.985 161 HA ASN 20 HA ASN 20 -2.357 -7.469 -4.880 162 HB2 ASN 20 HB2 ASN 20 -2.699 -5.592 -6.543 163 HB3 ASN 20 HB3 ASN 20 -1.912 -6.617 -7.753 164 HD21 ASN 20 HD21 ASN 20 -4.879 -5.687 -6.756 165 HD22 ASN 20 HD22 ASN 20 -5.790 -7.160 -7.025 166 H HIS 21 H HIS 21 -2.036 -9.600 -4.631 167 HA HIS 21 HA HIS 21 0.191 -10.967 -5.894 168 HB2 HIS 21 HB2 HIS 21 -0.221 -12.669 -4.445 169 HB3 HIS 21 HB3 HIS 21 -0.923 -11.326 -3.547 170 HD2 HIS 21 HD2 HIS 21 -3.524 -11.491 -2.979 171 HE1 HIS 21 HE1 HIS 21 -4.311 -15.250 -4.825 172 HE2 HIS 21 HE2 HIS 21 -5.250 -13.455 -3.283 173 H ILE 22 H ILE 22 -3.120 -10.530 -6.846 174 HA ILE 22 HA ILE 22 -3.285 -12.893 -8.572 175 HB ILE 22 HB ILE 22 -5.129 -10.472 -8.296 176 HG12 ILE 22 HG12 ILE 22 -5.151 -13.174 -6.856 177 HG13 ILE 22 HG13 ILE 22 -4.890 -11.586 -6.128 178 HG21 ILE 22 HG21 ILE 22 -6.836 -11.924 -9.317 179 HG22 ILE 22 HG22 ILE 22 -5.470 -11.742 -10.396 180 HG23 ILE 22 HG23 ILE 22 -5.649 -13.243 -9.459 181 HD11 ILE 22 HD11 ILE 22 -7.238 -10.951 -6.793 182 HD12 ILE 22 HD12 ILE 22 -7.495 -12.655 -7.249 183 HD13 ILE 22 HD13 ILE 22 -7.095 -12.238 -5.577 184 H THR 23 H THR 23 -2.847 -9.394 -8.931 185 HA THR 23 HA THR 23 -2.553 -9.652 -11.873 186 HB THR 23 HB THR 23 -3.295 -7.458 -12.108 187 HG1 THR 23 HG1 THR 23 -3.791 -6.432 -9.911 188 HG21 THR 23 HG21 THR 23 -5.123 -9.046 -11.387 189 HG22 THR 23 HG22 THR 23 -4.930 -8.434 -9.728 190 HG23 THR 23 HG23 THR 23 -5.434 -7.338 -11.028 191 H ASN 24 H ASN 24 -0.508 -9.241 -9.267 192 HA ASN 24 HA ASN 24 1.569 -8.580 -8.917 193 HB2 ASN 24 HB2 ASN 24 1.967 -8.762 -11.920 194 HB3 ASN 24 HB3 ASN 24 3.249 -8.653 -10.706 195 HD21 ASN 24 HD21 ASN 24 1.697 -10.851 -12.616 196 HD22 ASN 24 HD22 ASN 24 1.967 -12.277 -11.609 197 H ALA 25 H ALA 25 -0.606 -6.474 -9.729 198 HA ALA 25 HA ALA 25 0.937 -4.111 -10.369 199 HB1 ALA 25 HB1 ALA 25 -1.767 -4.410 -8.994 200 HB2 ALA 25 HB2 ALA 25 -1.107 -2.923 -9.707 201 HB3 ALA 25 HB3 ALA 25 -1.499 -4.302 -10.750 202 H SER 26 H SER 26 1.490 -2.358 -8.955 203 HA SER 26 HA SER 26 1.504 -2.855 -6.047 204 HB2 SER 26 HB2 SER 26 3.825 -2.106 -5.786 205 HB3 SER 26 HB3 SER 26 3.691 -3.655 -6.609 206 HG SER 26 HG SER 26 4.098 -2.647 -8.559 207 H GLN 27 H GLN 27 1.571 -0.996 -4.757 208 HA GLN 27 HA GLN 27 1.672 1.678 -6.028 209 HB2 GLN 27 HB2 GLN 27 -0.746 0.606 -4.507 210 HB3 GLN 27 HB3 GLN 27 -0.382 2.327 -4.707 211 HG2 GLN 27 HG2 GLN 27 -0.481 2.116 -7.134 212 HG3 GLN 27 HG3 GLN 27 -0.933 0.405 -6.976 213 HE21 GLN 27 HE21 GLN 27 -2.410 2.390 -4.477 214 HE22 GLN 27 HE22 GLN 27 -3.928 2.630 -5.348 215 H PHE 28 H PHE 28 2.478 3.245 -4.754 216 HA PHE 28 HA PHE 28 3.263 2.634 -2.000 217 HB2 PHE 28 HB2 PHE 28 3.717 5.008 -3.788 218 HB3 PHE 28 HB3 PHE 28 4.070 5.053 -2.058 219 HD1 PHE 28 HD1 PHE 28 5.112 3.625 -5.296 220 HD2 PHE 28 HD2 PHE 28 5.852 3.705 -1.046 221 HE1 PHE 28 HE1 PHE 28 7.337 2.582 -5.662 222 HE2 PHE 28 HE2 PHE 28 8.084 2.681 -1.422 223 HZ PHE 28 HZ PHE 28 8.828 2.113 -3.726 224 H GLU 29 H GLU 29 0.491 3.903 -3.435 225 HA GLU 29 HA GLU 29 -0.530 5.015 -0.866 226 HB2 GLU 29 HB2 GLU 29 -0.475 6.738 -2.494 227 HB3 GLU 29 HB3 GLU 29 -1.101 5.687 -3.751 228 HG2 GLU 29 HG2 GLU 29 -2.742 7.316 -3.155 229 HG3 GLU 29 HG3 GLU 29 -3.323 5.705 -2.778 230 H ARG 30 H ARG 30 -2.590 4.516 -0.200 231 HA ARG 30 HA ARG 30 -3.314 1.810 -0.208 232 HB2 ARG 30 HB2 ARG 30 -3.861 3.106 1.628 233 HB3 ARG 30 HB3 ARG 30 -4.599 4.379 0.661 234 HG2 ARG 30 HG2 ARG 30 -6.323 3.285 1.905 235 HG3 ARG 30 HG3 ARG 30 -6.544 2.962 0.183 236 HD2 ARG 30 HD2 ARG 30 -5.116 0.751 0.857 237 HD3 ARG 30 HD3 ARG 30 -5.806 1.113 2.431 238 HE ARG 30 HE ARG 30 -7.395 0.764 -0.113 239 HH11 ARG 30 HH11 ARG 30 -7.111 -0.073 3.303 240 HH12 ARG 30 HH12 ARG 30 -8.558 -1.062 3.216 241 HH21 ARG 30 HH21 ARG 30 -9.315 -0.263 -0.006 242 HH22 ARG 30 HH22 ARG 30 -9.798 -1.080 1.468 243 HA PRO 31 HA PRO 31 -5.501 1.672 -4.139 244 HB2 PRO 31 HB2 PRO 31 -5.930 -1.020 -4.347 245 HB3 PRO 31 HB3 PRO 31 -4.304 -0.284 -4.526 246 HG2 PRO 31 HG2 PRO 31 -5.527 -1.486 -2.017 247 HG3 PRO 31 HG3 PRO 31 -3.932 -1.864 -2.747 248 HD2 PRO 31 HD2 PRO 31 -4.122 -0.114 -0.737 249 HD3 PRO 31 HD3 PRO 31 -3.029 0.217 -2.115 250 H SER 32 H SER 32 -7.550 1.300 -4.997 251 HA SER 32 HA SER 32 -9.773 0.682 -3.081 252 HB2 SER 32 HB2 SER 32 -9.661 2.876 -5.175 253 HB3 SER 32 HB3 SER 32 -11.123 2.388 -4.300 254 HG SER 32 HG SER 32 -8.719 3.340 -3.125 255 H GLY 33 H GLY 33 -8.303 -0.497 -5.807 256 HA2 GLY 33 HA2 GLY 33 -10.103 -2.520 -6.396 257 HA3 GLY 33 HA3 GLY 33 -10.576 -1.208 -7.475 258 H1 GAL 101 H1 GAL 34 11.890 1.998 0.684 259 H2 GAL 101 H2 GAL 34 13.707 4.161 -0.511 260 H3 GAL 101 H3 GAL 34 10.751 3.536 -0.981 261 H4 GAL 101 H4 GAL 34 11.424 2.932 -3.285 262 H5 GAL 101 H5 GAL 34 11.320 1.170 -1.567 263 H61 GAL 101 H61 GAL 34 12.656 -0.564 -2.567 264 H62 GAL 101 H62 GAL 34 12.116 0.510 -3.875 265 HO2 GAL 101 H2O GAL 34 11.617 4.209 1.451 266 HO3 GAL 101 H3O GAL 34 11.529 5.803 -1.061 267 HO4 GAL 101 H4O GAL 34 13.883 2.547 -3.381 268 HO6 GAL 101 H6O GAL 34 14.654 0.495 -2.548 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 -12.193 -3.623 3.649 2 H2 LYS 1 H2 LYS 1 -12.069 -4.898 4.668 3 H3 LYS 1 H3 LYS 1 -12.199 -5.144 3.052 4 HA LYS 1 HA LYS 1 -9.943 -3.836 4.420 5 HB2 LYS 1 HB2 LYS 1 -8.599 -5.787 3.886 6 HB3 LYS 1 HB3 LYS 1 -9.965 -6.246 4.867 7 HG2 LYS 1 HG2 LYS 1 -11.064 -7.371 3.123 8 HG3 LYS 1 HG3 LYS 1 -10.160 -6.566 1.853 9 HD2 LYS 1 HD2 LYS 1 -8.921 -8.508 3.837 10 HD3 LYS 1 HD3 LYS 1 -9.553 -8.995 2.271 11 HE2 LYS 1 HE2 LYS 1 -7.304 -6.956 2.617 12 HE3 LYS 1 HE3 LYS 1 -7.043 -8.683 2.406 13 HZ1 LYS 1 HZ1 LYS 1 -8.431 -6.968 0.409 14 HZ2 LYS 1 HZ2 LYS 1 -6.880 -7.511 0.297 15 HZ3 LYS 1 HZ3 LYS 1 -8.126 -8.566 0.258 16 H LEU 2 H LEU 2 -8.020 -4.538 2.517 17 HA LEU 2 HA LEU 2 -8.261 -2.629 0.405 18 HB2 LEU 2 HB2 LEU 2 -6.464 -5.044 0.858 19 HB3 LEU 2 HB3 LEU 2 -6.210 -3.877 -0.445 20 HG LEU 2 HG LEU 2 -6.268 -2.988 2.460 21 HD11 LEU 2 HD11 LEU 2 -3.814 -3.098 2.387 22 HD12 LEU 2 HD12 LEU 2 -4.541 -4.704 2.231 23 HD13 LEU 2 HD13 LEU 2 -3.890 -3.883 0.788 24 HD21 LEU 2 HD21 LEU 2 -6.512 -1.247 0.676 25 HD22 LEU 2 HD22 LEU 2 -4.984 -1.099 1.556 26 HD23 LEU 2 HD23 LEU 2 -5.005 -1.842 -0.059 27 HA PRO 3 HA PRO 3 -10.581 -4.700 -2.654 28 HB2 PRO 3 HB2 PRO 3 -8.729 -4.058 -4.884 29 HB3 PRO 3 HB3 PRO 3 -10.391 -3.481 -4.585 30 HG2 PRO 3 HG2 PRO 3 -8.175 -1.889 -4.263 31 HG3 PRO 3 HG3 PRO 3 -9.653 -1.714 -3.253 32 HD2 PRO 3 HD2 PRO 3 -7.072 -3.140 -2.623 33 HD3 PRO 3 HD3 PRO 3 -8.020 -2.039 -1.587 34 HA PRO 4 HA PRO 4 -9.565 -8.797 -3.705 35 HB2 PRO 4 HB2 PRO 4 -9.875 -8.261 -6.668 36 HB3 PRO 4 HB3 PRO 4 -10.513 -9.626 -5.693 37 HG2 PRO 4 HG2 PRO 4 -12.136 -7.557 -6.301 38 HG3 PRO 4 HG3 PRO 4 -12.120 -8.193 -4.622 39 HD2 PRO 4 HD2 PRO 4 -10.701 -5.756 -5.728 40 HD3 PRO 4 HD3 PRO 4 -11.636 -5.928 -4.208 41 H GLY 5 H GLY 5 -7.681 -9.744 -3.509 42 HA2 GLY 5 HA2 GLY 5 -5.578 -10.570 -4.015 43 HA3 GLY 5 HA3 GLY 5 -5.513 -9.546 -5.462 44 H TRP 6 H TRP 6 -6.180 -7.196 -3.355 45 HA TRP 6 HA TRP 6 -3.368 -6.466 -3.042 46 HB2 TRP 6 HB2 TRP 6 -5.907 -5.032 -2.302 47 HB3 TRP 6 HB3 TRP 6 -4.283 -4.381 -2.057 48 HD1 TRP 6 HD1 TRP 6 -6.825 -5.099 -4.770 49 HE1 TRP 6 HE1 TRP 6 -6.224 -3.820 -6.913 50 HE3 TRP 6 HE3 TRP 6 -2.107 -3.612 -3.483 51 HZ2 TRP 6 HZ2 TRP 6 -3.863 -2.634 -8.042 52 HZ3 TRP 6 HZ3 TRP 6 -0.678 -2.426 -5.142 53 HH2 TRP 6 HH2 TRP 6 -1.538 -1.927 -7.413 54 H GLU 7 H GLU 7 -2.148 -6.347 -1.304 55 HA GLU 7 HA GLU 7 -3.220 -6.436 1.437 56 HB2 GLU 7 HB2 GLU 7 -2.867 -8.807 0.718 57 HB3 GLU 7 HB3 GLU 7 -1.156 -8.446 0.440 58 HG2 GLU 7 HG2 GLU 7 -0.853 -7.946 2.827 59 HG3 GLU 7 HG3 GLU 7 -2.587 -8.118 3.112 60 H LYS 8 H LYS 8 -1.604 -5.668 3.015 61 HA LYS 8 HA LYS 8 0.288 -3.719 1.981 62 HB2 LYS 8 HB2 LYS 8 -0.300 -4.765 4.760 63 HB3 LYS 8 HB3 LYS 8 1.073 -3.694 4.439 64 HG2 LYS 8 HG2 LYS 8 -0.369 -1.963 3.526 65 HG3 LYS 8 HG3 LYS 8 -1.776 -3.036 3.633 66 HD2 LYS 8 HD2 LYS 8 -1.901 -1.494 5.464 67 HD3 LYS 8 HD3 LYS 8 -1.501 -3.083 6.132 68 HE2 LYS 8 HE2 LYS 8 0.922 -2.390 6.214 69 HE3 LYS 8 HE3 LYS 8 0.462 -0.809 5.573 70 HZ1 LYS 8 HZ1 LYS 8 0.646 -0.771 7.994 71 HZ2 LYS 8 HZ2 LYS 8 -0.900 -0.471 7.564 72 HZ3 LYS 8 HZ3 LYS 8 -0.483 -1.938 8.154 73 H ARG 9 H ARG 9 2.404 -3.658 1.964 74 HA ARG 9 HA ARG 9 4.104 -6.027 2.512 75 HB2 ARG 9 HB2 ARG 9 3.146 -6.161 0.164 76 HB3 ARG 9 HB3 ARG 9 4.028 -4.685 -0.234 77 HG2 ARG 9 HG2 ARG 9 6.158 -5.815 0.077 78 HG3 ARG 9 HG3 ARG 9 5.359 -7.221 0.827 79 HD2 ARG 9 HD2 ARG 9 4.236 -7.745 -1.299 80 HD3 ARG 9 HD3 ARG 9 4.981 -6.313 -2.052 81 HE ARG 9 HE ARG 9 6.917 -8.156 -0.870 82 HH11 ARG 9 HH11 ARG 9 8.405 -9.121 -2.188 83 HH12 ARG 9 HH12 ARG 9 8.122 -9.214 -3.904 84 HH21 ARG 9 HH21 ARG 9 5.093 -7.621 -3.827 85 HH22 ARG 9 HH22 ARG 9 6.319 -8.372 -4.807 86 H MET 10 H MET 10 6.514 -5.367 2.132 87 HA MET 10 HA MET 10 7.021 -2.514 2.692 88 HB2 MET 10 HB2 MET 10 6.254 -3.562 4.855 89 HB3 MET 10 HB3 MET 10 7.620 -4.674 4.750 90 HG2 MET 10 HG2 MET 10 9.160 -2.662 4.775 91 HG3 MET 10 HG3 MET 10 7.733 -1.646 4.966 92 HE1 MET 10 HE1 MET 10 10.306 -4.008 6.581 93 HE2 MET 10 HE2 MET 10 9.593 -4.425 8.153 94 HE3 MET 10 HE3 MET 10 8.905 -5.100 6.663 95 H PHE 11 H PHE 11 8.967 -1.857 2.199 96 HA PHE 11 HA PHE 11 10.858 -3.558 0.813 97 HB2 PHE 11 HB2 PHE 11 10.773 -0.633 1.531 98 HB3 PHE 11 HB3 PHE 11 12.121 -1.359 0.642 99 HD1 PHE 11 HD1 PHE 11 8.978 0.263 0.346 100 HD2 PHE 11 HD2 PHE 11 11.495 -2.673 -1.566 101 HE1 PHE 11 HE1 PHE 11 7.799 0.652 -1.788 102 HE2 PHE 11 HE2 PHE 11 10.305 -2.282 -3.714 103 HZ PHE 11 HZ PHE 11 8.461 -0.614 -3.833 104 H ALA 12 H ALA 12 13.201 -3.572 1.213 105 HA ALA 12 HA ALA 12 13.869 -4.527 3.805 106 HB1 ALA 12 HB1 ALA 12 16.162 -4.581 2.896 107 HB2 ALA 12 HB2 ALA 12 14.994 -5.191 1.711 108 HB3 ALA 12 HB3 ALA 12 15.664 -3.550 1.538 109 H ASN 13 H ASN 13 13.880 -1.253 2.602 110 HA ASN 13 HA ASN 13 15.540 -0.133 4.745 111 HB2 ASN 13 HB2 ASN 13 14.922 2.035 3.717 112 HB3 ASN 13 HB3 ASN 13 15.580 0.883 2.546 113 HD21 ASN 13 HD21 ASN 13 14.573 2.391 1.001 114 H GLY 14 H GLY 14 12.391 -1.329 4.783 115 HA2 GLY 14 HA2 GLY 14 10.938 -1.320 6.599 116 HA3 GLY 14 HA3 GLY 14 11.737 0.108 7.279 117 H THR 15 H THR 15 10.812 0.452 3.930 118 HA THR 15 HA THR 15 8.624 2.328 4.672 119 HB THR 15 HB THR 15 10.116 1.702 2.095 120 HG1 THR 15 HG1 THR 15 10.917 3.724 2.412 121 HG21 THR 15 HG21 THR 15 7.841 3.680 2.501 122 HG22 THR 15 HG22 THR 15 8.963 3.690 1.121 123 HG23 THR 15 HG23 THR 15 7.892 2.311 1.360 124 H VAL 16 H VAL 16 6.526 1.862 4.421 125 HA VAL 16 HA VAL 16 5.703 -0.836 3.492 126 HB VAL 16 HB VAL 16 4.345 1.355 5.102 127 HG11 VAL 16 HG11 VAL 16 2.503 -0.226 5.528 128 HG12 VAL 16 HG12 VAL 16 2.544 0.273 3.842 129 HG13 VAL 16 HG13 VAL 16 3.158 -1.336 4.302 130 HG21 VAL 16 HG21 VAL 16 5.182 -1.487 5.829 131 HG22 VAL 16 HG22 VAL 16 6.033 -0.003 6.319 132 HG23 VAL 16 HG23 VAL 16 4.393 -0.323 6.908 133 H TYR 17 H TYR 17 4.173 -1.201 1.950 134 HA TYR 17 HA TYR 17 2.862 0.962 0.450 135 HB2 TYR 17 HB2 TYR 17 3.776 0.337 -1.686 136 HB3 TYR 17 HB3 TYR 17 5.094 0.747 -0.626 137 HD1 TYR 17 HD1 TYR 17 6.501 -1.146 0.415 138 HD2 TYR 17 HD2 TYR 17 3.709 -1.758 -2.818 139 HE1 TYR 17 HE1 TYR 17 7.759 -3.168 -0.294 140 HE2 TYR 17 HE2 TYR 17 4.945 -3.812 -3.492 141 HH TYR 17 HH TYR 17 7.999 -4.760 -1.906 142 H TYR 18 H TYR 18 1.620 -0.265 -1.469 143 HA TYR 18 HA TYR 18 0.239 -2.647 -0.294 144 HB2 TYR 18 HB2 TYR 18 -0.818 -0.538 -2.208 145 HB3 TYR 18 HB3 TYR 18 -1.719 -1.903 -1.533 146 HD1 TYR 18 HD1 TYR 18 -0.531 1.499 -0.955 147 HD2 TYR 18 HD2 TYR 18 -2.175 -1.999 0.953 148 HE1 TYR 18 HE1 TYR 18 -1.138 2.870 1.035 149 HE2 TYR 18 HE2 TYR 18 -2.803 -0.625 2.934 150 HH TYR 18 HH TYR 18 -2.801 1.455 3.868 151 H PHE 19 H PHE 19 0.060 -4.472 -1.483 152 HA PHE 19 HA PHE 19 1.076 -4.513 -4.291 153 HB2 PHE 19 HB2 PHE 19 2.953 -4.995 -2.886 154 HB3 PHE 19 HB3 PHE 19 2.031 -6.207 -1.984 155 HD1 PHE 19 HD1 PHE 19 3.275 -5.335 -5.368 156 HD2 PHE 19 HD2 PHE 19 1.951 -8.521 -2.776 157 HE1 PHE 19 HE1 PHE 19 3.900 -6.971 -7.085 158 HE2 PHE 19 HE2 PHE 19 2.655 -10.181 -4.477 159 HZ PHE 19 HZ PHE 19 3.621 -9.427 -6.643 160 H ASN 20 H ASN 20 0.053 -5.792 -5.693 161 HA ASN 20 HA ASN 20 -2.228 -7.401 -4.686 162 HB2 ASN 20 HB2 ASN 20 -2.509 -5.617 -6.456 163 HB3 ASN 20 HB3 ASN 20 -1.591 -6.659 -7.554 164 HD21 ASN 20 HD21 ASN 20 -4.659 -5.808 -6.844 165 HD22 ASN 20 HD22 ASN 20 -5.488 -7.323 -7.144 166 H HIS 21 H HIS 21 -1.860 -9.511 -4.322 167 HA HIS 21 HA HIS 21 0.507 -10.837 -5.360 168 HB2 HIS 21 HB2 HIS 21 0.074 -12.475 -3.853 169 HB3 HIS 21 HB3 HIS 21 -0.763 -11.132 -3.079 170 HD2 HIS 21 HD2 HIS 21 -3.397 -11.385 -2.733 171 HE1 HIS 21 HE1 HIS 21 -3.855 -15.276 -4.412 172 HE2 HIS 21 HE2 HIS 21 -5.005 -13.445 -3.066 173 H ILE 22 H ILE 22 -2.750 -10.588 -6.550 174 HA ILE 22 HA ILE 22 -2.698 -13.025 -8.178 175 HB ILE 22 HB ILE 22 -4.643 -10.668 -8.145 176 HG12 ILE 22 HG12 ILE 22 -4.694 -13.314 -6.609 177 HG13 ILE 22 HG13 ILE 22 -4.534 -11.694 -5.922 178 HG21 ILE 22 HG21 ILE 22 -4.776 -12.026 -10.212 179 HG22 ILE 22 HG22 ILE 22 -4.973 -13.497 -9.233 180 HG23 ILE 22 HG23 ILE 22 -6.214 -12.220 -9.235 181 HD11 ILE 22 HD11 ILE 22 -6.839 -11.153 -6.792 182 HD12 ILE 22 HD12 ILE 22 -7.013 -12.880 -7.199 183 HD13 ILE 22 HD13 ILE 22 -6.759 -12.390 -5.519 184 H THR 23 H THR 23 -2.361 -9.529 -8.660 185 HA THR 23 HA THR 23 -1.844 -9.901 -11.559 186 HB THR 23 HB THR 23 -2.672 -7.762 -11.952 187 HG1 THR 23 HG1 THR 23 -3.375 -6.651 -9.864 188 HG21 THR 23 HG21 THR 23 -4.889 -7.707 -11.038 189 HG22 THR 23 HG22 THR 23 -4.469 -9.411 -11.289 190 HG23 THR 23 HG23 THR 23 -4.430 -8.715 -9.652 191 H ASN 24 H ASN 24 -0.017 -9.271 -8.837 192 HA ASN 24 HA ASN 24 1.997 -8.490 -8.375 193 HB2 ASN 24 HB2 ASN 24 2.621 -8.755 -11.334 194 HB3 ASN 24 HB3 ASN 24 3.800 -8.551 -10.031 195 HD21 ASN 24 HD21 ASN 24 2.350 -10.874 -11.943 196 HD22 ASN 24 HD22 ASN 24 2.661 -12.256 -10.887 197 H ALA 25 H ALA 25 -0.222 -6.540 -9.421 198 HA ALA 25 HA ALA 25 1.225 -4.128 -10.078 199 HB1 ALA 25 HB1 ALA 25 -1.168 -4.476 -10.590 200 HB2 ALA 25 HB2 ALA 25 -1.537 -4.510 -8.851 201 HB3 ALA 25 HB3 ALA 25 -0.914 -3.026 -9.602 202 H SER 26 H SER 26 1.587 -2.278 -8.736 203 HA SER 26 HA SER 26 1.644 -2.655 -5.799 204 HB2 SER 26 HB2 SER 26 3.989 -1.914 -5.664 205 HB3 SER 26 HB3 SER 26 3.804 -3.478 -6.460 206 HG SER 26 HG SER 26 4.105 -0.987 -7.811 207 H GLN 27 H GLN 27 1.491 -0.761 -4.608 208 HA GLN 27 HA GLN 27 1.800 1.870 -5.897 209 HB2 GLN 27 HB2 GLN 27 -0.835 0.611 -5.425 210 HB3 GLN 27 HB3 GLN 27 -0.677 2.137 -4.581 211 HG2 GLN 27 HG2 GLN 27 -0.176 1.787 -7.553 212 HG3 GLN 27 HG3 GLN 27 -1.673 2.360 -6.825 213 HE21 GLN 27 HE21 GLN 27 -0.658 4.058 -8.631 214 HE22 GLN 27 HE22 GLN 27 0.122 5.424 -7.823 215 H PHE 28 H PHE 28 2.046 3.578 -4.522 216 HA PHE 28 HA PHE 28 2.627 2.986 -1.685 217 HB2 PHE 28 HB2 PHE 28 3.119 5.417 -3.410 218 HB3 PHE 28 HB3 PHE 28 3.356 5.396 -1.658 219 HD1 PHE 28 HD1 PHE 28 4.758 4.384 -4.873 220 HD2 PHE 28 HD2 PHE 28 5.069 3.893 -0.596 221 HE1 PHE 28 HE1 PHE 28 7.056 3.480 -5.142 222 HE2 PHE 28 HE2 PHE 28 7.368 3.001 -0.873 223 HZ PHE 28 HZ PHE 28 8.366 2.792 -3.143 224 H GLU 29 H GLU 29 0.181 4.551 -3.604 225 HA GLU 29 HA GLU 29 -1.267 5.646 -1.275 226 HB2 GLU 29 HB2 GLU 29 -1.285 6.995 -3.249 227 HB3 GLU 29 HB3 GLU 29 -1.691 5.622 -4.269 228 HG2 GLU 29 HG2 GLU 29 -3.552 7.124 -4.108 229 HG3 GLU 29 HG3 GLU 29 -3.959 5.558 -3.437 230 H ARG 30 H ARG 30 -3.304 4.885 -0.554 231 HA ARG 30 HA ARG 30 -3.618 2.053 -0.537 232 HB2 ARG 30 HB2 ARG 30 -4.320 3.364 1.306 233 HB3 ARG 30 HB3 ARG 30 -5.509 4.249 0.353 234 HG2 ARG 30 HG2 ARG 30 -5.716 1.237 0.500 235 HG3 ARG 30 HG3 ARG 30 -6.164 2.175 1.930 236 HD2 ARG 30 HD2 ARG 30 -8.039 3.087 0.977 237 HD3 ARG 30 HD3 ARG 30 -7.355 3.125 -0.635 238 HE ARG 30 HE ARG 30 -8.061 0.987 -1.098 239 HH11 ARG 30 HH11 ARG 30 -10.341 -0.954 0.552 240 HH12 ARG 30 HH12 ARG 30 -9.605 -0.538 -0.977 241 HH21 ARG 30 HH21 ARG 30 -8.737 1.528 2.309 242 HH22 ARG 30 HH22 ARG 30 -9.916 0.241 2.354 243 HA PRO 31 HA PRO 31 -5.336 1.750 -4.606 244 HB2 PRO 31 HB2 PRO 31 -5.774 -0.961 -4.780 245 HB3 PRO 31 HB3 PRO 31 -4.143 -0.215 -4.782 246 HG2 PRO 31 HG2 PRO 31 -5.656 -1.358 -2.405 247 HG3 PRO 31 HG3 PRO 31 -3.974 -1.720 -2.913 248 HD2 PRO 31 HD2 PRO 31 -4.442 0.091 -0.996 249 HD3 PRO 31 HD3 PRO 31 -3.215 0.417 -2.256 250 H SER 32 H SER 32 -7.260 1.857 -5.633 251 HA SER 32 HA SER 32 -9.773 1.400 -4.121 252 HB2 SER 32 HB2 SER 32 -9.218 2.726 -6.799 253 HB3 SER 32 HB3 SER 32 -10.816 2.577 -6.044 254 HG SER 32 HG SER 32 -9.813 4.584 -5.580 255 H GLY 33 H GLY 33 -7.958 -0.152 -6.661 256 HA2 GLY 33 HA2 GLY 33 -9.496 -2.524 -6.798 257 HA3 GLY 33 HA3 GLY 33 -10.046 -1.472 -8.102 258 H1 GAL 101 H1 GAL 34 11.708 1.674 0.527 259 H2 GAL 101 H2 GAL 34 13.294 4.125 -0.415 260 H3 GAL 101 H3 GAL 34 10.424 3.304 -1.090 261 H4 GAL 101 H4 GAL 34 11.206 2.913 -3.383 262 H5 GAL 101 H5 GAL 34 11.264 1.010 -1.839 263 H61 GAL 101 H61 GAL 34 12.832 -0.492 -2.925 264 H62 GAL 101 H62 GAL 34 12.117 0.588 -4.140 265 HO2 GAL 101 H2O GAL 34 11.553 5.219 0.641 266 HO3 GAL 101 H3O GAL 34 10.470 5.162 -2.381 267 HO4 GAL 101 H4O GAL 34 12.997 4.469 -3.137 268 HO6 GAL 101 H6O GAL 34 14.069 1.960 -3.529 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 -10.732 -5.659 3.762 2 H2 LYS 1 H2 LYS 1 -11.831 -4.445 3.690 3 H3 LYS 1 H3 LYS 1 -11.322 -5.002 5.136 4 HA LYS 1 HA LYS 1 -10.336 -2.896 4.696 5 HB2 LYS 1 HB2 LYS 1 -7.966 -3.419 5.008 6 HB3 LYS 1 HB3 LYS 1 -9.029 -4.296 6.098 7 HG2 LYS 1 HG2 LYS 1 -8.728 -6.372 4.815 8 HG3 LYS 1 HG3 LYS 1 -7.741 -5.520 3.617 9 HD2 LYS 1 HD2 LYS 1 -6.078 -4.961 5.373 10 HD3 LYS 1 HD3 LYS 1 -7.017 -5.928 6.538 11 HE2 LYS 1 HE2 LYS 1 -6.757 -7.927 5.104 12 HE3 LYS 1 HE3 LYS 1 -5.915 -6.966 3.884 13 HZ1 LYS 1 HZ1 LYS 1 -4.152 -6.564 5.520 14 HZ2 LYS 1 HZ2 LYS 1 -4.903 -7.536 6.612 15 HZ3 LYS 1 HZ3 LYS 1 -4.331 -8.140 5.188 16 H LEU 2 H LEU 2 -9.118 -5.174 2.171 17 HA LEU 2 HA LEU 2 -8.537 -2.826 0.433 18 HB2 LEU 2 HB2 LEU 2 -6.975 -5.382 0.941 19 HB3 LEU 2 HB3 LEU 2 -6.593 -4.244 -0.355 20 HG LEU 2 HG LEU 2 -6.589 -3.419 2.571 21 HD11 LEU 2 HD11 LEU 2 -4.267 -4.315 0.820 22 HD12 LEU 2 HD12 LEU 2 -4.143 -3.639 2.460 23 HD13 LEU 2 HD13 LEU 2 -4.933 -5.203 2.209 24 HD21 LEU 2 HD21 LEU 2 -5.228 -1.555 1.748 25 HD22 LEU 2 HD22 LEU 2 -5.293 -2.199 0.096 26 HD23 LEU 2 HD23 LEU 2 -6.762 -1.575 0.879 27 HA PRO 3 HA PRO 3 -10.812 -4.822 -2.774 28 HB2 PRO 3 HB2 PRO 3 -8.836 -4.132 -4.871 29 HB3 PRO 3 HB3 PRO 3 -10.504 -3.536 -4.644 30 HG2 PRO 3 HG2 PRO 3 -8.293 -1.970 -4.169 31 HG3 PRO 3 HG3 PRO 3 -9.812 -1.815 -3.223 32 HD2 PRO 3 HD2 PRO 3 -7.293 -3.325 -2.513 33 HD3 PRO 3 HD3 PRO 3 -8.251 -2.198 -1.511 34 HA PRO 4 HA PRO 4 -9.639 -8.890 -3.751 35 HB2 PRO 4 HB2 PRO 4 -9.879 -8.382 -6.725 36 HB3 PRO 4 HB3 PRO 4 -10.519 -9.750 -5.756 37 HG2 PRO 4 HG2 PRO 4 -12.160 -7.716 -6.433 38 HG3 PRO 4 HG3 PRO 4 -12.186 -8.342 -4.749 39 HD2 PRO 4 HD2 PRO 4 -10.779 -5.883 -5.824 40 HD3 PRO 4 HD3 PRO 4 -11.761 -6.067 -4.336 41 H GLY 5 H GLY 5 -7.742 -9.808 -3.513 42 HA2 GLY 5 HA2 GLY 5 -5.642 -10.641 -4.011 43 HA3 GLY 5 HA3 GLY 5 -5.572 -9.617 -5.459 44 H TRP 6 H TRP 6 -6.232 -7.299 -3.293 45 HA TRP 6 HA TRP 6 -3.433 -6.517 -3.071 46 HB2 TRP 6 HB2 TRP 6 -6.000 -5.195 -2.243 47 HB3 TRP 6 HB3 TRP 6 -4.405 -4.495 -1.944 48 HD1 TRP 6 HD1 TRP 6 -6.903 -5.147 -4.705 49 HE1 TRP 6 HE1 TRP 6 -6.286 -3.797 -6.805 50 HE3 TRP 6 HE3 TRP 6 -2.210 -3.684 -3.326 51 HZ2 TRP 6 HZ2 TRP 6 -3.890 -2.645 -7.901 52 HZ3 TRP 6 HZ3 TRP 6 -0.736 -2.515 -4.960 53 HH2 TRP 6 HH2 TRP 6 -1.556 -1.992 -7.243 54 H GLU 7 H GLU 7 -2.132 -6.339 -1.383 55 HA GLU 7 HA GLU 7 -3.094 -6.545 1.390 56 HB2 GLU 7 HB2 GLU 7 -1.447 -8.619 0.015 57 HB3 GLU 7 HB3 GLU 7 -0.757 -8.053 1.518 58 HG2 GLU 7 HG2 GLU 7 -3.554 -9.194 1.208 59 HG3 GLU 7 HG3 GLU 7 -2.142 -10.046 1.823 60 H LYS 8 H LYS 8 -1.426 -5.953 2.963 61 HA LYS 8 HA LYS 8 0.260 -3.709 2.028 62 HB2 LYS 8 HB2 LYS 8 -0.383 -4.815 4.767 63 HB3 LYS 8 HB3 LYS 8 0.990 -3.723 4.516 64 HG2 LYS 8 HG2 LYS 8 -0.471 -2.034 3.482 65 HG3 LYS 8 HG3 LYS 8 -1.862 -3.119 3.668 66 HD2 LYS 8 HD2 LYS 8 -1.983 -1.514 5.435 67 HD3 LYS 8 HD3 LYS 8 -1.481 -3.040 6.179 68 HE2 LYS 8 HE2 LYS 8 0.905 -2.241 6.119 69 HE3 LYS 8 HE3 LYS 8 0.360 -0.732 5.380 70 HZ1 LYS 8 HZ1 LYS 8 -0.936 -0.290 7.395 71 HZ2 LYS 8 HZ2 LYS 8 -0.443 -1.693 8.076 72 HZ3 LYS 8 HZ3 LYS 8 0.635 -0.503 7.783 73 H ARG 9 H ARG 9 2.376 -3.533 2.081 74 HA ARG 9 HA ARG 9 4.152 -5.904 2.416 75 HB2 ARG 9 HB2 ARG 9 3.070 -5.324 -0.070 76 HB3 ARG 9 HB3 ARG 9 4.448 -4.251 -0.072 77 HG2 ARG 9 HG2 ARG 9 5.326 -6.134 -1.066 78 HG3 ARG 9 HG3 ARG 9 5.809 -6.431 0.614 79 HD2 ARG 9 HD2 ARG 9 3.499 -7.657 -0.953 80 HD3 ARG 9 HD3 ARG 9 4.962 -8.471 -0.381 81 HE ARG 9 HE ARG 9 2.789 -7.382 1.400 82 HH11 ARG 9 HH11 ARG 9 5.047 -10.023 0.831 83 HH12 ARG 9 HH12 ARG 9 4.515 -10.851 2.272 84 HH21 ARG 9 HH21 ARG 9 2.248 -8.406 3.153 85 HH22 ARG 9 HH22 ARG 9 2.946 -9.964 3.563 86 H MET 10 H MET 10 6.511 -5.215 2.143 87 HA MET 10 HA MET 10 7.047 -2.411 2.833 88 HB2 MET 10 HB2 MET 10 6.284 -3.476 4.969 89 HB3 MET 10 HB3 MET 10 7.605 -4.639 4.826 90 HG2 MET 10 HG2 MET 10 9.197 -2.640 4.829 91 HG3 MET 10 HG3 MET 10 7.813 -1.633 5.242 92 HE1 MET 10 HE1 MET 10 6.654 -1.617 7.651 93 HE2 MET 10 HE2 MET 10 6.137 -3.290 7.322 94 HE3 MET 10 HE3 MET 10 6.922 -2.886 8.862 95 H PHE 11 H PHE 11 9.007 -1.759 2.325 96 HA PHE 11 HA PHE 11 10.911 -3.471 0.956 97 HB2 PHE 11 HB2 PHE 11 10.874 -0.536 1.668 98 HB3 PHE 11 HB3 PHE 11 12.212 -1.302 0.806 99 HD1 PHE 11 HD1 PHE 11 11.677 -2.562 -1.412 100 HD2 PHE 11 HD2 PHE 11 9.027 0.296 0.435 101 HE1 PHE 11 HE1 PHE 11 10.541 -2.190 -3.593 102 HE2 PHE 11 HE2 PHE 11 7.920 0.685 -1.730 103 HZ PHE 11 HZ PHE 11 8.670 -0.555 -3.762 104 H ALA 12 H ALA 12 13.228 -3.552 1.399 105 HA ALA 12 HA ALA 12 13.852 -4.470 4.011 106 HB1 ALA 12 HB1 ALA 12 16.158 -4.554 3.139 107 HB2 ALA 12 HB2 ALA 12 15.003 -5.168 1.942 108 HB3 ALA 12 HB3 ALA 12 15.689 -3.535 1.761 109 H ASN 13 H ASN 13 13.908 -1.202 2.774 110 HA ASN 13 HA ASN 13 15.564 -0.116 4.944 111 HB2 ASN 13 HB2 ASN 13 15.167 2.037 3.862 112 HB3 ASN 13 HB3 ASN 13 15.691 0.822 2.687 113 HD21 ASN 13 HD21 ASN 13 14.813 2.461 1.175 114 H GLY 14 H GLY 14 12.404 -1.217 4.963 115 HA2 GLY 14 HA2 GLY 14 10.908 -1.086 6.741 116 HA3 GLY 14 HA3 GLY 14 11.724 0.356 7.368 117 H THR 15 H THR 15 10.797 0.442 3.984 118 HA THR 15 HA THR 15 8.695 2.465 4.554 119 HB THR 15 HB THR 15 9.990 1.543 1.964 120 HG1 THR 15 HG1 THR 15 11.404 2.555 3.232 121 HG21 THR 15 HG21 THR 15 7.871 2.475 1.374 122 HG22 THR 15 HG22 THR 15 8.088 3.838 2.508 123 HG23 THR 15 HG23 THR 15 9.102 3.700 1.053 124 H VAL 16 H VAL 16 6.543 2.075 4.295 125 HA VAL 16 HA VAL 16 5.665 -0.663 3.537 126 HB VAL 16 HB VAL 16 4.310 1.671 4.937 127 HG11 VAL 16 HG11 VAL 16 3.072 -1.031 4.249 128 HG12 VAL 16 HG12 VAL 16 2.395 0.170 5.373 129 HG13 VAL 16 HG13 VAL 16 2.530 0.562 3.664 130 HG21 VAL 16 HG21 VAL 16 4.236 0.100 6.841 131 HG22 VAL 16 HG22 VAL 16 5.026 -1.147 5.857 132 HG23 VAL 16 HG23 VAL 16 5.905 0.338 6.297 133 H TYR 17 H TYR 17 4.232 -1.108 1.944 134 HA TYR 17 HA TYR 17 2.977 0.977 0.303 135 HB2 TYR 17 HB2 TYR 17 3.898 0.223 -1.794 136 HB3 TYR 17 HB3 TYR 17 5.196 0.721 -0.747 137 HD1 TYR 17 HD1 TYR 17 6.637 -1.068 0.406 138 HD2 TYR 17 HD2 TYR 17 3.875 -1.949 -2.792 139 HE1 TYR 17 HE1 TYR 17 7.955 -3.090 -0.188 140 HE2 TYR 17 HE2 TYR 17 5.167 -4.002 -3.341 141 HH TYR 17 HH TYR 17 8.215 -4.809 -1.651 142 H TYR 18 H TYR 18 1.760 -0.308 -1.569 143 HA TYR 18 HA TYR 18 0.393 -2.675 -0.367 144 HB2 TYR 18 HB2 TYR 18 -0.724 -0.520 -2.185 145 HB3 TYR 18 HB3 TYR 18 -1.584 -1.971 -1.650 146 HD1 TYR 18 HD1 TYR 18 -2.324 -2.240 0.699 147 HD2 TYR 18 HD2 TYR 18 -0.319 1.337 -0.647 148 HE1 TYR 18 HE1 TYR 18 -3.057 -1.052 2.760 149 HE2 TYR 18 HE2 TYR 18 -1.036 2.518 1.433 150 HH TYR 18 HH TYR 18 -3.053 0.914 3.913 151 H PHE 19 H PHE 19 0.057 -4.478 -1.579 152 HA PHE 19 HA PHE 19 1.062 -4.546 -4.386 153 HB2 PHE 19 HB2 PHE 19 2.967 -5.067 -3.017 154 HB3 PHE 19 HB3 PHE 19 2.040 -6.267 -2.105 155 HD1 PHE 19 HD1 PHE 19 3.216 -5.389 -5.509 156 HD2 PHE 19 HD2 PHE 19 1.918 -8.583 -2.914 157 HE1 PHE 19 HE1 PHE 19 3.779 -7.013 -7.255 158 HE2 PHE 19 HE2 PHE 19 2.565 -10.234 -4.645 159 HZ PHE 19 HZ PHE 19 3.490 -9.472 -6.826 160 H ASN 20 H ASN 20 0.007 -5.837 -5.764 161 HA ASN 20 HA ASN 20 -2.263 -7.431 -4.700 162 HB2 ASN 20 HB2 ASN 20 -2.601 -5.622 -6.428 163 HB3 ASN 20 HB3 ASN 20 -1.716 -6.640 -7.575 164 HD21 ASN 20 HD21 ASN 20 -4.760 -5.805 -6.759 165 HD22 ASN 20 HD22 ASN 20 -5.601 -7.314 -7.050 166 H HIS 21 H HIS 21 -1.922 -9.549 -4.399 167 HA HIS 21 HA HIS 21 0.413 -10.877 -5.506 168 HB2 HIS 21 HB2 HIS 21 0.007 -12.520 -4.001 169 HB3 HIS 21 HB3 HIS 21 -0.827 -11.191 -3.202 170 HD2 HIS 21 HD2 HIS 21 -3.451 -11.467 -2.816 171 HE1 HIS 21 HE1 HIS 21 -3.917 -15.334 -4.545 172 HE2 HIS 21 HE2 HIS 21 -5.054 -13.529 -3.155 173 H ILE 22 H ILE 22 -2.871 -10.589 -6.618 174 HA ILE 22 HA ILE 22 -2.864 -13.002 -8.285 175 HB ILE 22 HB ILE 22 -4.796 -10.637 -8.157 176 HG12 ILE 22 HG12 ILE 22 -4.824 -13.330 -6.702 177 HG13 ILE 22 HG13 ILE 22 -4.649 -11.731 -5.971 178 HG21 ILE 22 HG21 ILE 22 -6.398 -12.148 -9.262 179 HG22 ILE 22 HG22 ILE 22 -4.981 -11.927 -10.263 180 HG23 ILE 22 HG23 ILE 22 -5.164 -13.429 -9.329 181 HD11 ILE 22 HD11 ILE 22 -6.869 -12.438 -5.547 182 HD12 ILE 22 HD12 ILE 22 -6.973 -11.167 -6.783 183 HD13 ILE 22 HD13 ILE 22 -7.154 -12.881 -7.235 184 H THR 23 H THR 23 -2.521 -9.501 -8.719 185 HA THR 23 HA THR 23 -2.080 -9.829 -11.635 186 HB THR 23 HB THR 23 -2.888 -7.671 -11.967 187 HG1 THR 23 HG1 THR 23 -3.522 -6.600 -9.830 188 HG21 THR 23 HG21 THR 23 -4.598 -8.646 -9.640 189 HG22 THR 23 HG22 THR 23 -5.080 -7.603 -10.991 190 HG23 THR 23 HG23 THR 23 -4.690 -9.306 -11.289 191 H ASN 24 H ASN 24 -0.175 -9.258 -8.949 192 HA ASN 24 HA ASN 24 1.858 -8.505 -8.529 193 HB2 ASN 24 HB2 ASN 24 2.404 -8.759 -11.504 194 HB3 ASN 24 HB3 ASN 24 3.619 -8.575 -10.233 195 HD21 ASN 24 HD21 ASN 24 2.162 -10.872 -12.136 196 HD22 ASN 24 HD22 ASN 24 2.458 -12.262 -11.085 197 H ALA 25 H ALA 25 -0.357 -6.515 -9.517 198 HA ALA 25 HA ALA 25 1.117 -4.112 -10.165 199 HB1 ALA 25 HB1 ALA 25 -1.290 -4.412 -10.644 200 HB2 ALA 25 HB2 ALA 25 -1.631 -4.481 -8.899 201 HB3 ALA 25 HB3 ALA 25 -1.000 -2.988 -9.626 202 H SER 26 H SER 26 1.553 -2.299 -8.791 203 HA SER 26 HA SER 26 1.513 -2.716 -5.865 204 HB2 SER 26 HB2 SER 26 3.823 -2.004 -5.589 205 HB3 SER 26 HB3 SER 26 3.710 -3.509 -6.506 206 HG SER 26 HG SER 26 5.183 -2.068 -7.460 207 H GLN 27 H GLN 27 1.535 -0.806 -4.624 208 HA GLN 27 HA GLN 27 1.639 1.832 -5.958 209 HB2 GLN 27 HB2 GLN 27 -0.834 0.769 -4.522 210 HB3 GLN 27 HB3 GLN 27 -0.468 2.490 -4.711 211 HG2 GLN 27 HG2 GLN 27 -0.426 2.233 -7.154 212 HG3 GLN 27 HG3 GLN 27 -0.963 0.549 -6.974 213 HE21 GLN 27 HE21 GLN 27 -2.479 2.594 -4.574 214 HE22 GLN 27 HE22 GLN 27 -3.926 2.931 -5.528 215 H PHE 28 H PHE 28 2.301 3.482 -4.686 216 HA PHE 28 HA PHE 28 3.036 2.950 -1.903 217 HB2 PHE 28 HB2 PHE 28 3.442 5.307 -3.724 218 HB3 PHE 28 HB3 PHE 28 3.730 5.408 -1.984 219 HD1 PHE 28 HD1 PHE 28 4.986 4.025 -5.151 220 HD2 PHE 28 HD2 PHE 28 5.502 4.104 -0.868 221 HE1 PHE 28 HE1 PHE 28 7.275 3.092 -5.408 222 HE2 PHE 28 HE2 PHE 28 7.795 3.188 -1.132 223 HZ PHE 28 HZ PHE 28 8.686 2.680 -3.401 224 H GLU 29 H GLU 29 0.252 4.110 -3.426 225 HA GLU 29 HA GLU 29 -0.876 5.183 -0.882 226 HB2 GLU 29 HB2 GLU 29 -0.848 6.918 -2.497 227 HB3 GLU 29 HB3 GLU 29 -1.384 5.848 -3.779 228 HG2 GLU 29 HG2 GLU 29 -3.113 7.403 -3.232 229 HG3 GLU 29 HG3 GLU 29 -3.636 5.765 -2.890 230 H ARG 30 H ARG 30 -2.958 4.585 -0.272 231 HA ARG 30 HA ARG 30 -3.493 1.835 -0.383 232 HB2 ARG 30 HB2 ARG 30 -4.104 3.196 1.463 233 HB3 ARG 30 HB3 ARG 30 -5.201 4.180 0.506 234 HG2 ARG 30 HG2 ARG 30 -5.693 1.201 0.715 235 HG3 ARG 30 HG3 ARG 30 -6.063 2.233 2.104 236 HD2 ARG 30 HD2 ARG 30 -7.850 3.242 1.120 237 HD3 ARG 30 HD3 ARG 30 -7.118 3.267 -0.474 238 HE ARG 30 HE ARG 30 -8.116 1.288 -1.024 239 HH11 ARG 30 HH11 ARG 30 -9.506 -0.369 -0.842 240 HH12 ARG 30 HH12 ARG 30 -9.899 -1.007 0.753 241 HH21 ARG 30 HH21 ARG 30 -8.197 1.343 2.504 242 HH22 ARG 30 HH22 ARG 30 -9.137 -0.141 2.528 243 HA PRO 31 HA PRO 31 -5.263 1.567 -4.409 244 HB2 PRO 31 HB2 PRO 31 -5.888 -1.093 -4.554 245 HB3 PRO 31 HB3 PRO 31 -4.205 -0.477 -4.500 246 HG2 PRO 31 HG2 PRO 31 -5.894 -1.456 -2.170 247 HG3 PRO 31 HG3 PRO 31 -4.228 -1.963 -2.608 248 HD2 PRO 31 HD2 PRO 31 -4.636 -0.084 -0.736 249 HD3 PRO 31 HD3 PRO 31 -3.320 0.106 -1.934 250 H SER 32 H SER 32 -7.126 1.828 -5.469 251 HA SER 32 HA SER 32 -9.713 1.630 -4.041 252 HB2 SER 32 HB2 SER 32 -9.115 3.657 -5.311 253 HB3 SER 32 HB3 SER 32 -9.004 2.698 -6.797 254 HG SER 32 HG SER 32 -11.032 3.756 -6.540 255 H GLY 33 H GLY 33 -7.995 0.031 -6.668 256 HA2 GLY 33 HA2 GLY 33 -9.491 -2.398 -6.629 257 HA3 GLY 33 HA3 GLY 33 -10.105 -1.386 -7.936 258 H1 GAL 101 H1 GAL 34 11.873 2.094 0.781 259 H2 GAL 101 H2 GAL 34 13.683 4.354 -0.229 260 H3 GAL 101 H3 GAL 34 10.687 3.889 -0.631 261 H4 GAL 101 H4 GAL 34 11.192 3.446 -2.977 262 H5 GAL 101 H5 GAL 34 11.236 1.498 -1.505 263 H61 GAL 101 H61 GAL 34 12.607 -0.088 -2.742 264 H62 GAL 101 H62 GAL 34 11.867 1.064 -3.873 265 HO2 GAL 101 H2O GAL 34 11.672 4.225 1.812 266 HO3 GAL 101 H3O GAL 34 11.529 6.111 -0.568 267 HO4 GAL 101 H4O GAL 34 13.101 4.841 -2.909 268 HO6 GAL 101 H6O GAL 34 13.954 2.284 -3.422 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 -12.058 -3.981 4.409 2 H2 LYS 1 H2 LYS 1 -11.005 -4.774 3.443 3 H3 LYS 1 H3 LYS 1 -12.213 -3.881 2.787 4 HA LYS 1 HA LYS 1 -11.308 -1.851 3.649 5 HB2 LYS 1 HB2 LYS 1 -10.273 -2.824 5.661 6 HB3 LYS 1 HB3 LYS 1 -9.022 -3.581 4.672 7 HG2 LYS 1 HG2 LYS 1 -8.280 -1.294 3.925 8 HG3 LYS 1 HG3 LYS 1 -9.527 -0.586 4.969 9 HD2 LYS 1 HD2 LYS 1 -8.433 -1.641 6.956 10 HD3 LYS 1 HD3 LYS 1 -7.229 -2.377 5.892 11 HE2 LYS 1 HE2 LYS 1 -6.216 -0.459 6.889 12 HE3 LYS 1 HE3 LYS 1 -6.479 -0.104 5.179 13 HZ1 LYS 1 HZ1 LYS 1 -8.454 1.181 5.833 14 HZ2 LYS 1 HZ2 LYS 1 -8.212 0.825 7.411 15 HZ3 LYS 1 HZ3 LYS 1 -7.137 1.751 6.609 16 H LEU 2 H LEU 2 -8.714 -4.099 2.553 17 HA LEU 2 HA LEU 2 -8.136 -2.463 0.201 18 HB2 LEU 2 HB2 LEU 2 -7.039 -4.940 1.515 19 HB3 LEU 2 HB3 LEU 2 -6.726 -4.711 -0.203 20 HG LEU 2 HG LEU 2 -5.561 -2.650 0.146 21 HD11 LEU 2 HD11 LEU 2 -6.740 -1.631 2.030 22 HD12 LEU 2 HD12 LEU 2 -6.143 -2.911 3.120 23 HD13 LEU 2 HD13 LEU 2 -5.010 -1.762 2.362 24 HD21 LEU 2 HD21 LEU 2 -4.289 -4.702 0.406 25 HD22 LEU 2 HD22 LEU 2 -3.663 -3.494 1.531 26 HD23 LEU 2 HD23 LEU 2 -4.705 -4.796 2.131 27 HA PRO 3 HA PRO 3 -10.866 -4.729 -2.581 28 HB2 PRO 3 HB2 PRO 3 -8.930 -4.326 -4.801 29 HB3 PRO 3 HB3 PRO 3 -10.606 -3.730 -4.640 30 HG2 PRO 3 HG2 PRO 3 -8.436 -2.073 -4.413 31 HG3 PRO 3 HG3 PRO 3 -9.924 -1.834 -3.438 32 HD2 PRO 3 HD2 PRO 3 -7.346 -3.212 -2.633 33 HD3 PRO 3 HD3 PRO 3 -8.305 -1.973 -1.758 34 HA PRO 4 HA PRO 4 -9.607 -8.909 -3.151 35 HB2 PRO 4 HB2 PRO 4 -10.187 -8.736 -6.113 36 HB3 PRO 4 HB3 PRO 4 -10.682 -9.997 -4.935 37 HG2 PRO 4 HG2 PRO 4 -12.448 -8.090 -5.673 38 HG3 PRO 4 HG3 PRO 4 -12.295 -8.523 -3.936 39 HD2 PRO 4 HD2 PRO 4 -11.064 -6.173 -5.404 40 HD3 PRO 4 HD3 PRO 4 -11.913 -6.203 -3.826 41 H GLY 5 H GLY 5 -7.733 -9.972 -3.280 42 HA2 GLY 5 HA2 GLY 5 -5.661 -10.707 -3.983 43 HA3 GLY 5 HA3 GLY 5 -5.785 -9.682 -5.426 44 H TRP 6 H TRP 6 -6.254 -7.340 -3.293 45 HA TRP 6 HA TRP 6 -3.435 -6.581 -3.154 46 HB2 TRP 6 HB2 TRP 6 -5.962 -5.194 -2.281 47 HB3 TRP 6 HB3 TRP 6 -4.340 -4.548 -2.028 48 HD1 TRP 6 HD1 TRP 6 -6.883 -5.192 -4.772 49 HE1 TRP 6 HE1 TRP 6 -6.284 -3.803 -6.854 50 HE3 TRP 6 HE3 TRP 6 -2.198 -3.698 -3.384 51 HZ2 TRP 6 HZ2 TRP 6 -3.934 -2.467 -7.891 52 HZ3 TRP 6 HZ3 TRP 6 -0.766 -2.423 -4.972 53 HH2 TRP 6 HH2 TRP 6 -1.621 -1.801 -7.214 54 H GLU 7 H GLU 7 -2.109 -6.434 -1.480 55 HA GLU 7 HA GLU 7 -3.039 -6.729 1.315 56 HB2 GLU 7 HB2 GLU 7 -0.873 -8.404 -0.026 57 HB3 GLU 7 HB3 GLU 7 -1.013 -8.238 1.717 58 HG2 GLU 7 HG2 GLU 7 -3.111 -9.472 -0.117 59 HG3 GLU 7 HG3 GLU 7 -1.950 -10.343 0.866 60 H LYS 8 H LYS 8 -1.508 -5.886 2.876 61 HA LYS 8 HA LYS 8 0.204 -3.709 1.870 62 HB2 LYS 8 HB2 LYS 8 -0.501 -4.714 4.630 63 HB3 LYS 8 HB3 LYS 8 0.916 -3.681 4.385 64 HG2 LYS 8 HG2 LYS 8 -0.440 -1.948 3.314 65 HG3 LYS 8 HG3 LYS 8 -1.880 -2.977 3.433 66 HD2 LYS 8 HD2 LYS 8 -1.980 -1.331 5.187 67 HD3 LYS 8 HD3 LYS 8 -1.672 -2.905 5.936 68 HE2 LYS 8 HE2 LYS 8 0.771 -2.325 6.077 69 HE3 LYS 8 HE3 LYS 8 0.425 -0.764 5.329 70 HZ1 LYS 8 HZ1 LYS 8 0.525 -0.593 7.749 71 HZ2 LYS 8 HZ2 LYS 8 -0.984 -0.232 7.242 72 HZ3 LYS 8 HZ3 LYS 8 -0.676 -1.682 7.931 73 H ARG 9 H ARG 9 2.360 -3.569 1.921 74 HA ARG 9 HA ARG 9 4.069 -5.935 2.491 75 HB2 ARG 9 HB2 ARG 9 3.121 -6.022 0.123 76 HB3 ARG 9 HB3 ARG 9 4.055 -4.569 -0.241 77 HG2 ARG 9 HG2 ARG 9 6.142 -5.762 0.087 78 HG3 ARG 9 HG3 ARG 9 5.298 -7.145 0.831 79 HD2 ARG 9 HD2 ARG 9 4.192 -7.664 -1.292 80 HD3 ARG 9 HD3 ARG 9 4.944 -6.237 -2.049 81 HE ARG 9 HE ARG 9 6.864 -8.099 -0.866 82 HH11 ARG 9 HH11 ARG 9 5.056 -7.552 -3.831 83 HH12 ARG 9 HH12 ARG 9 6.304 -8.264 -4.810 84 HH21 ARG 9 HH21 ARG 9 8.365 -9.044 -2.182 85 HH22 ARG 9 HH22 ARG 9 8.102 -9.110 -3.902 86 H MET 10 H MET 10 6.471 -5.300 2.173 87 HA MET 10 HA MET 10 7.008 -2.455 2.729 88 HB2 MET 10 HB2 MET 10 6.179 -3.476 4.884 89 HB3 MET 10 HB3 MET 10 7.537 -4.603 4.819 90 HG2 MET 10 HG2 MET 10 9.094 -2.600 4.850 91 HG3 MET 10 HG3 MET 10 7.671 -1.574 5.011 92 HE1 MET 10 HE1 MET 10 9.461 -4.343 8.247 93 HE2 MET 10 HE2 MET 10 8.793 -5.024 6.750 94 HE3 MET 10 HE3 MET 10 10.203 -3.940 6.684 95 H PHE 11 H PHE 11 8.972 -1.834 2.255 96 HA PHE 11 HA PHE 11 10.866 -3.587 0.941 97 HB2 PHE 11 HB2 PHE 11 10.834 -0.651 1.626 98 HB3 PHE 11 HB3 PHE 11 12.183 -1.423 0.780 99 HD1 PHE 11 HD1 PHE 11 9.052 0.229 0.390 100 HD2 PHE 11 HD2 PHE 11 11.614 -2.724 -1.431 101 HE1 PHE 11 HE1 PHE 11 7.925 0.598 -1.780 102 HE2 PHE 11 HE2 PHE 11 10.479 -2.353 -3.612 103 HZ PHE 11 HZ PHE 11 8.639 -0.686 -3.793 104 H ALA 12 H ALA 12 13.188 -3.676 1.401 105 HA ALA 12 HA ALA 12 13.770 -4.597 4.027 106 HB1 ALA 12 HB1 ALA 12 14.929 -5.326 1.971 107 HB2 ALA 12 HB2 ALA 12 15.642 -3.705 1.788 108 HB3 ALA 12 HB3 ALA 12 16.083 -4.722 3.175 109 H ASN 13 H ASN 13 13.889 -1.349 2.761 110 HA ASN 13 HA ASN 13 15.525 -0.234 4.926 111 HB2 ASN 13 HB2 ASN 13 15.032 1.924 3.833 112 HB3 ASN 13 HB3 ASN 13 15.657 0.717 2.697 113 HD21 ASN 13 HD21 ASN 13 14.764 2.182 1.071 114 H GLY 14 H GLY 14 12.342 -1.330 4.904 115 HA2 GLY 14 HA2 GLY 14 10.864 -1.250 6.697 116 HA3 GLY 14 HA3 GLY 14 11.681 0.176 7.357 117 H THR 15 H THR 15 10.813 0.484 3.991 118 HA THR 15 HA THR 15 8.627 2.392 4.674 119 HB THR 15 HB THR 15 10.175 1.726 2.139 120 HG1 THR 15 HG1 THR 15 10.918 3.782 2.432 121 HG21 THR 15 HG21 THR 15 7.967 2.312 1.328 122 HG22 THR 15 HG22 THR 15 7.878 3.697 2.445 123 HG23 THR 15 HG23 THR 15 9.042 3.693 1.100 124 H VAL 16 H VAL 16 6.527 1.950 4.372 125 HA VAL 16 HA VAL 16 5.693 -0.755 3.471 126 HB VAL 16 HB VAL 16 4.347 1.485 5.023 127 HG11 VAL 16 HG11 VAL 16 2.425 -0.013 5.388 128 HG12 VAL 16 HG12 VAL 16 2.542 0.484 3.704 129 HG13 VAL 16 HG13 VAL 16 3.069 -1.151 4.181 130 HG21 VAL 16 HG21 VAL 16 4.269 -0.196 6.823 131 HG22 VAL 16 HG22 VAL 16 5.035 -1.392 5.764 132 HG23 VAL 16 HG23 VAL 16 5.939 0.050 6.282 133 H TYR 17 H TYR 17 4.202 -1.121 1.895 134 HA TYR 17 HA TYR 17 2.955 1.028 0.328 135 HB2 TYR 17 HB2 TYR 17 3.909 0.369 -1.774 136 HB3 TYR 17 HB3 TYR 17 5.211 0.768 -0.695 137 HD1 TYR 17 HD1 TYR 17 6.532 -1.168 0.422 138 HD2 TYR 17 HD2 TYR 17 3.863 -1.706 -2.929 139 HE1 TYR 17 HE1 TYR 17 7.773 -3.221 -0.252 140 HE2 TYR 17 HE2 TYR 17 5.081 -3.771 -3.570 141 HH TYR 17 HH TYR 17 6.989 -5.006 -3.228 142 H TYR 18 H TYR 18 1.752 -0.223 -1.594 143 HA TYR 18 HA TYR 18 0.324 -2.570 -0.404 144 HB2 TYR 18 HB2 TYR 18 -0.716 -0.419 -2.278 145 HB3 TYR 18 HB3 TYR 18 -1.628 -1.796 -1.642 146 HD1 TYR 18 HD1 TYR 18 -0.134 1.489 -0.839 147 HD2 TYR 18 HD2 TYR 18 -2.400 -1.846 0.706 148 HE1 TYR 18 HE1 TYR 18 -0.693 2.811 1.192 149 HE2 TYR 18 HE2 TYR 18 -2.937 -0.532 2.743 150 HH TYR 18 HH TYR 18 -1.771 2.818 3.204 151 H PHE 19 H PHE 19 0.024 -4.373 -1.623 152 HA PHE 19 HA PHE 19 1.025 -4.436 -4.428 153 HB2 PHE 19 HB2 PHE 19 2.946 -4.861 -3.054 154 HB3 PHE 19 HB3 PHE 19 2.070 -6.081 -2.118 155 HD1 PHE 19 HD1 PHE 19 3.187 -5.221 -5.548 156 HD2 PHE 19 HD2 PHE 19 2.069 -8.407 -2.866 157 HE1 PHE 19 HE1 PHE 19 3.825 -6.855 -7.257 158 HE2 PHE 19 HE2 PHE 19 2.787 -10.070 -4.562 159 HZ PHE 19 HZ PHE 19 3.656 -9.316 -6.768 160 H ASN 20 H ASN 20 -0.068 -5.715 -5.790 161 HA ASN 20 HA ASN 20 -2.220 -7.429 -4.672 162 HB2 ASN 20 HB2 ASN 20 -2.689 -5.676 -6.433 163 HB3 ASN 20 HB3 ASN 20 -1.762 -6.670 -7.568 164 HD21 ASN 20 HD21 ASN 20 -5.593 -7.597 -6.904 165 HD22 ASN 20 HD22 ASN 20 -4.865 -6.041 -6.520 166 H HIS 21 H HIS 21 -1.804 -9.522 -4.356 167 HA HIS 21 HA HIS 21 0.634 -10.719 -5.398 168 HB2 HIS 21 HB2 HIS 21 0.281 -12.408 -3.897 169 HB3 HIS 21 HB3 HIS 21 -0.516 -11.057 -3.094 170 HD2 HIS 21 HD2 HIS 21 -3.145 -11.294 -2.641 171 HE1 HIS 21 HE1 HIS 21 -3.647 -15.234 -4.187 172 HE2 HIS 21 HE2 HIS 21 -4.749 -13.372 -2.845 173 H ILE 22 H ILE 22 -2.612 -10.632 -6.589 174 HA ILE 22 HA ILE 22 -2.431 -13.093 -8.182 175 HB ILE 22 HB ILE 22 -4.553 -10.900 -8.178 176 HG12 ILE 22 HG12 ILE 22 -4.330 -13.408 -6.448 177 HG13 ILE 22 HG13 ILE 22 -4.327 -11.726 -5.892 178 HG21 ILE 22 HG21 ILE 22 -4.681 -13.820 -9.043 179 HG22 ILE 22 HG22 ILE 22 -6.013 -12.641 -9.114 180 HG23 ILE 22 HG23 ILE 22 -4.607 -12.420 -10.137 181 HD11 ILE 22 HD11 ILE 22 -6.443 -12.623 -5.368 182 HD12 ILE 22 HD12 ILE 22 -6.689 -11.500 -6.723 183 HD13 ILE 22 HD13 ILE 22 -6.690 -13.262 -7.001 184 H THR 23 H THR 23 -2.382 -9.580 -8.691 185 HA THR 23 HA THR 23 -1.886 -9.924 -11.596 186 HB THR 23 HB THR 23 -2.796 -7.810 -11.962 187 HG1 THR 23 HG1 THR 23 -3.517 -6.779 -9.819 188 HG21 THR 23 HG21 THR 23 -4.480 -8.855 -9.647 189 HG22 THR 23 HG22 THR 23 -4.999 -7.847 -11.013 190 HG23 THR 23 HG23 THR 23 -4.517 -9.530 -11.292 191 H ASN 24 H ASN 24 -0.044 -9.211 -8.898 192 HA ASN 24 HA ASN 24 1.949 -8.358 -8.474 193 HB2 ASN 24 HB2 ASN 24 2.535 -8.603 -11.442 194 HB3 ASN 24 HB3 ASN 24 3.726 -8.367 -10.155 195 HD21 ASN 24 HD21 ASN 24 2.353 -10.725 -12.065 196 HD22 ASN 24 HD22 ASN 24 2.707 -12.102 -11.016 197 H ALA 25 H ALA 25 -0.356 -6.482 -9.483 198 HA ALA 25 HA ALA 25 0.988 -4.022 -10.169 199 HB1 ALA 25 HB1 ALA 25 -1.159 -2.987 -9.574 200 HB2 ALA 25 HB2 ALA 25 -1.415 -4.430 -10.573 201 HB3 ALA 25 HB3 ALA 25 -1.701 -4.500 -8.819 202 H SER 26 H SER 26 1.451 -2.196 -8.831 203 HA SER 26 HA SER 26 1.502 -2.576 -5.899 204 HB2 SER 26 HB2 SER 26 3.822 -1.863 -5.707 205 HB3 SER 26 HB3 SER 26 3.672 -3.384 -6.591 206 HG SER 26 HG SER 26 5.121 -1.969 -7.617 207 H GLN 27 H GLN 27 1.515 -0.669 -4.680 208 HA GLN 27 HA GLN 27 1.673 1.974 -5.997 209 HB2 GLN 27 HB2 GLN 27 -0.831 0.946 -4.594 210 HB3 GLN 27 HB3 GLN 27 -0.436 2.665 -4.779 211 HG2 GLN 27 HG2 GLN 27 -0.478 2.522 -7.167 212 HG3 GLN 27 HG3 GLN 27 -0.885 0.789 -7.097 213 HE21 GLN 27 HE21 GLN 27 -2.465 2.712 -4.603 214 HE22 GLN 27 HE22 GLN 27 -3.985 2.893 -5.479 215 H PHE 28 H PHE 28 2.209 3.652 -4.662 216 HA PHE 28 HA PHE 28 2.909 3.063 -1.869 217 HB2 PHE 28 HB2 PHE 28 3.407 5.436 -3.646 218 HB3 PHE 28 HB3 PHE 28 3.665 5.493 -1.900 219 HD1 PHE 28 HD1 PHE 28 5.325 3.996 -0.778 220 HD2 PHE 28 HD2 PHE 28 5.007 4.272 -5.072 221 HE1 PHE 28 HE1 PHE 28 7.597 3.022 -1.014 222 HE2 PHE 28 HE2 PHE 28 7.275 3.285 -5.302 223 HZ PHE 28 HZ PHE 28 8.577 2.667 -3.274 224 H GLU 29 H GLU 29 0.267 4.493 -3.509 225 HA GLU 29 HA GLU 29 -0.997 5.420 -0.968 226 HB2 GLU 29 HB2 GLU 29 -1.036 7.149 -2.596 227 HB3 GLU 29 HB3 GLU 29 -1.459 6.038 -3.887 228 HG2 GLU 29 HG2 GLU 29 -3.296 7.496 -3.399 229 HG3 GLU 29 HG3 GLU 29 -3.728 5.825 -3.093 230 H ARG 30 H ARG 30 -3.174 4.649 -0.476 231 HA ARG 30 HA ARG 30 -3.265 1.846 -0.738 232 HB2 ARG 30 HB2 ARG 30 -5.306 1.806 0.438 233 HB3 ARG 30 HB3 ARG 30 -4.284 3.027 1.152 234 HG2 ARG 30 HG2 ARG 30 -5.695 4.736 0.653 235 HG3 ARG 30 HG3 ARG 30 -6.203 4.079 -0.907 236 HD2 ARG 30 HD2 ARG 30 -7.126 3.056 1.794 237 HD3 ARG 30 HD3 ARG 30 -8.045 4.144 0.740 238 HE ARG 30 HE ARG 30 -7.594 2.028 -0.948 239 HH11 ARG 30 HH11 ARG 30 -8.957 2.054 2.304 240 HH12 ARG 30 HH12 ARG 30 -9.852 0.582 1.979 241 HH21 ARG 30 HH21 ARG 30 -8.772 0.276 -1.240 242 HH22 ARG 30 HH22 ARG 30 -9.718 -0.421 0.088 243 HA PRO 31 HA PRO 31 -5.181 1.058 -4.625 244 HB2 PRO 31 HB2 PRO 31 -6.113 -1.484 -4.265 245 HB3 PRO 31 HB3 PRO 31 -4.368 -1.071 -4.375 246 HG2 PRO 31 HG2 PRO 31 -6.043 -1.471 -1.871 247 HG3 PRO 31 HG3 PRO 31 -4.450 -2.204 -2.260 248 HD2 PRO 31 HD2 PRO 31 -4.669 0.003 -0.712 249 HD3 PRO 31 HD3 PRO 31 -3.340 -0.165 -1.906 250 H SER 32 H SER 32 -7.155 0.817 -5.730 251 HA SER 32 HA SER 32 -9.690 0.898 -4.148 252 HB2 SER 32 HB2 SER 32 -10.500 2.692 -5.600 253 HB3 SER 32 HB3 SER 32 -9.040 3.174 -4.721 254 HG SER 32 HG SER 32 -8.948 3.751 -6.936 255 H GLY 33 H GLY 33 -8.078 -0.725 -6.624 256 HA2 GLY 33 HA2 GLY 33 -10.067 -2.573 -7.178 257 HA3 GLY 33 HA3 GLY 33 -10.278 -1.337 -8.420 258 H1 GAL 101 H1 GAL 34 11.869 1.613 0.595 259 H2 GAL 101 H2 GAL 34 13.497 4.022 -0.378 260 H3 GAL 101 H3 GAL 34 10.578 3.247 -0.875 261 H4 GAL 101 H4 GAL 34 11.219 2.848 -3.204 262 H5 GAL 101 H5 GAL 34 11.396 0.933 -1.713 263 H61 GAL 101 H61 GAL 34 12.942 -0.530 -2.876 264 H62 GAL 101 H62 GAL 34 12.163 0.553 -4.049 265 HO2 GAL 101 H2O GAL 34 12.806 4.463 1.662 266 HO3 GAL 101 H3O GAL 34 11.147 5.536 -0.805 267 HO4 GAL 101 H4O GAL 34 12.975 4.426 -3.084 268 HO6 GAL 101 H6O GAL 34 14.110 1.949 -3.519 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 -11.889 -5.082 4.865 2 H2 LYS 1 H2 LYS 1 -11.586 -5.450 3.301 3 H3 LYS 1 H3 LYS 1 -12.080 -3.942 3.711 4 HA LYS 1 HA LYS 1 -10.086 -3.521 4.945 5 HB2 LYS 1 HB2 LYS 1 -9.678 -5.838 5.658 6 HB3 LYS 1 HB3 LYS 1 -9.226 -6.290 4.015 7 HG2 LYS 1 HG2 LYS 1 -7.321 -4.637 4.147 8 HG3 LYS 1 HG3 LYS 1 -7.770 -4.310 5.828 9 HD2 LYS 1 HD2 LYS 1 -7.339 -6.697 6.384 10 HD3 LYS 1 HD3 LYS 1 -6.939 -7.018 4.680 11 HE2 LYS 1 HE2 LYS 1 -5.111 -5.303 4.827 12 HE3 LYS 1 HE3 LYS 1 -5.466 -5.108 6.551 13 HZ1 LYS 1 HZ1 LYS 1 -3.647 -6.669 6.176 14 HZ2 LYS 1 HZ2 LYS 1 -4.911 -7.481 6.835 15 HZ3 LYS 1 HZ3 LYS 1 -4.562 -7.616 5.231 16 H LEU 2 H LEU 2 -9.147 -5.442 2.079 17 HA LEU 2 HA LEU 2 -8.624 -2.955 0.536 18 HB2 LEU 2 HB2 LEU 2 -6.931 -5.436 1.010 19 HB3 LEU 2 HB3 LEU 2 -6.621 -4.344 -0.343 20 HG LEU 2 HG LEU 2 -6.663 -3.317 2.513 21 HD11 LEU 2 HD11 LEU 2 -4.960 -5.100 2.341 22 HD12 LEU 2 HD12 LEU 2 -4.278 -4.301 0.905 23 HD13 LEU 2 HD13 LEU 2 -4.216 -3.499 2.493 24 HD21 LEU 2 HD21 LEU 2 -6.844 -1.690 0.615 25 HD22 LEU 2 HD22 LEU 2 -5.386 -1.489 1.595 26 HD23 LEU 2 HD23 LEU 2 -5.290 -2.296 0.012 27 HA PRO 3 HA PRO 3 -10.813 -4.857 -2.778 28 HB2 PRO 3 HB2 PRO 3 -8.841 -4.041 -4.836 29 HB3 PRO 3 HB3 PRO 3 -10.527 -3.502 -4.605 30 HG2 PRO 3 HG2 PRO 3 -8.365 -1.902 -4.054 31 HG3 PRO 3 HG3 PRO 3 -9.898 -1.816 -3.118 32 HD2 PRO 3 HD2 PRO 3 -7.337 -3.257 -2.419 33 HD3 PRO 3 HD3 PRO 3 -8.365 -2.224 -1.387 34 HA PRO 4 HA PRO 4 -9.615 -8.865 -3.869 35 HB2 PRO 4 HB2 PRO 4 -9.820 -8.270 -6.831 36 HB3 PRO 4 HB3 PRO 4 -10.455 -9.676 -5.914 37 HG2 PRO 4 HG2 PRO 4 -12.112 -7.638 -6.536 38 HG3 PRO 4 HG3 PRO 4 -12.143 -8.316 -4.873 39 HD2 PRO 4 HD2 PRO 4 -10.761 -5.809 -5.860 40 HD3 PRO 4 HD3 PRO 4 -11.742 -6.056 -4.381 41 H GLY 5 H GLY 5 -7.714 -9.732 -3.570 42 HA2 GLY 5 HA2 GLY 5 -5.603 -10.562 -4.024 43 HA3 GLY 5 HA3 GLY 5 -5.513 -9.556 -5.482 44 H TRP 6 H TRP 6 -6.211 -7.194 -3.389 45 HA TRP 6 HA TRP 6 -3.418 -6.413 -3.107 46 HB2 TRP 6 HB2 TRP 6 -5.998 -5.073 -2.336 47 HB3 TRP 6 HB3 TRP 6 -4.405 -4.373 -2.030 48 HD1 TRP 6 HD1 TRP 6 -6.896 -5.025 -4.788 49 HE1 TRP 6 HE1 TRP 6 -6.201 -3.822 -6.947 50 HE3 TRP 6 HE3 TRP 6 -2.174 -3.640 -3.421 51 HZ2 TRP 6 HZ2 TRP 6 -3.798 -2.682 -8.033 52 HZ3 TRP 6 HZ3 TRP 6 -0.670 -2.534 -5.066 53 HH2 TRP 6 HH2 TRP 6 -1.464 -2.050 -7.369 54 H GLU 7 H GLU 7 -2.133 -6.331 -1.402 55 HA GLU 7 HA GLU 7 -3.178 -6.364 1.340 56 HB2 GLU 7 HB2 GLU 7 -1.639 -8.617 0.138 57 HB3 GLU 7 HB3 GLU 7 -0.977 -8.022 1.646 58 HG2 GLU 7 HG2 GLU 7 -3.826 -8.994 1.236 59 HG3 GLU 7 HG3 GLU 7 -2.520 -9.869 2.025 60 H LYS 8 H LYS 8 -1.516 -5.826 2.947 61 HA LYS 8 HA LYS 8 0.264 -3.680 2.004 62 HB2 LYS 8 HB2 LYS 8 -0.404 -4.764 4.745 63 HB3 LYS 8 HB3 LYS 8 0.987 -3.693 4.490 64 HG2 LYS 8 HG2 LYS 8 -0.439 -1.986 3.450 65 HG3 LYS 8 HG3 LYS 8 -1.851 -3.048 3.614 66 HD2 LYS 8 HD2 LYS 8 -1.969 -1.433 5.372 67 HD3 LYS 8 HD3 LYS 8 -1.515 -2.969 6.128 68 HE2 LYS 8 HE2 LYS 8 0.888 -2.221 6.121 69 HE3 LYS 8 HE3 LYS 8 0.393 -0.704 5.362 70 HZ1 LYS 8 HZ1 LYS 8 -0.942 -0.225 7.341 71 HZ2 LYS 8 HZ2 LYS 8 -0.492 -1.631 8.043 72 HZ3 LYS 8 HZ3 LYS 8 0.615 -0.465 7.767 73 H ARG 9 H ARG 9 2.378 -3.542 2.060 74 HA ARG 9 HA ARG 9 4.123 -5.931 2.402 75 HB2 ARG 9 HB2 ARG 9 3.055 -5.343 -0.087 76 HB3 ARG 9 HB3 ARG 9 4.436 -4.275 -0.085 77 HG2 ARG 9 HG2 ARG 9 5.317 -6.156 -1.075 78 HG3 ARG 9 HG3 ARG 9 5.783 -6.464 0.608 79 HD2 ARG 9 HD2 ARG 9 3.488 -7.673 -0.990 80 HD3 ARG 9 HD3 ARG 9 4.935 -8.497 -0.390 81 HE ARG 9 HE ARG 9 2.754 -7.377 1.364 82 HH11 ARG 9 HH11 ARG 9 2.157 -8.411 3.094 83 HH12 ARG 9 HH12 ARG 9 2.801 -9.997 3.488 84 HH21 ARG 9 HH21 ARG 9 4.931 -10.081 0.779 85 HH22 ARG 9 HH22 ARG 9 4.356 -10.915 2.200 86 H MET 10 H MET 10 6.491 -5.256 2.170 87 HA MET 10 HA MET 10 7.034 -2.432 2.777 88 HB2 MET 10 HB2 MET 10 6.246 -3.476 4.946 89 HB3 MET 10 HB3 MET 10 7.629 -4.571 4.857 90 HG2 MET 10 HG2 MET 10 9.137 -2.531 4.852 91 HG3 MET 10 HG3 MET 10 7.694 -1.535 5.028 92 HE1 MET 10 HE1 MET 10 8.940 -4.940 6.771 93 HE2 MET 10 HE2 MET 10 10.316 -3.817 6.675 94 HE3 MET 10 HE3 MET 10 9.611 -4.231 8.253 95 H PHE 11 H PHE 11 8.999 -1.803 2.298 96 HA PHE 11 HA PHE 11 10.894 -3.559 0.968 97 HB2 PHE 11 HB2 PHE 11 10.816 -0.615 1.601 98 HB3 PHE 11 HB3 PHE 11 12.182 -1.374 0.770 99 HD1 PHE 11 HD1 PHE 11 11.597 -2.762 -1.410 100 HD2 PHE 11 HD2 PHE 11 9.074 0.271 0.336 101 HE1 PHE 11 HE1 PHE 11 10.472 -2.426 -3.602 102 HE2 PHE 11 HE2 PHE 11 7.961 0.606 -1.844 103 HZ PHE 11 HZ PHE 11 8.658 -0.736 -3.826 104 H ALA 12 H ALA 12 13.226 -3.587 1.410 105 HA ALA 12 HA ALA 12 13.843 -4.463 4.044 106 HB1 ALA 12 HB1 ALA 12 15.682 -3.580 1.773 107 HB2 ALA 12 HB2 ALA 12 16.150 -4.569 3.174 108 HB3 ALA 12 HB3 ALA 12 14.993 -5.209 1.991 109 H ASN 13 H ASN 13 13.909 -1.232 2.727 110 HA ASN 13 HA ASN 13 15.547 -0.055 4.857 111 HB2 ASN 13 HB2 ASN 13 14.967 2.083 3.746 112 HB3 ASN 13 HB3 ASN 13 15.634 0.885 2.626 113 HD21 ASN 13 HD21 ASN 13 14.670 2.335 1.007 114 H GLY 14 H GLY 14 12.388 -1.219 4.892 115 HA2 GLY 14 HA2 GLY 14 10.910 -1.129 6.684 116 HA3 GLY 14 HA3 GLY 14 11.715 0.312 7.326 117 H THR 15 H THR 15 10.840 0.547 3.955 118 HA THR 15 HA THR 15 8.657 2.468 4.596 119 HB THR 15 HB THR 15 10.177 1.733 2.064 120 HG1 THR 15 HG1 THR 15 10.996 3.753 2.311 121 HG21 THR 15 HG21 THR 15 7.975 2.336 1.269 122 HG22 THR 15 HG22 THR 15 7.915 3.741 2.364 123 HG23 THR 15 HG23 THR 15 9.061 3.699 1.004 124 H VAL 16 H VAL 16 6.553 2.014 4.313 125 HA VAL 16 HA VAL 16 5.734 -0.721 3.489 126 HB VAL 16 HB VAL 16 4.387 1.552 4.990 127 HG11 VAL 16 HG11 VAL 16 2.462 0.067 5.392 128 HG12 VAL 16 HG12 VAL 16 2.577 0.520 3.697 129 HG13 VAL 16 HG13 VAL 16 3.102 -1.101 4.215 130 HG21 VAL 16 HG21 VAL 16 5.987 0.145 6.268 131 HG22 VAL 16 HG22 VAL 16 4.322 -0.092 6.826 132 HG23 VAL 16 HG23 VAL 16 5.082 -1.310 5.787 133 H TYR 17 H TYR 17 4.252 -1.143 1.922 134 HA TYR 17 HA TYR 17 3.002 0.967 0.305 135 HB2 TYR 17 HB2 TYR 17 3.909 0.212 -1.797 136 HB3 TYR 17 HB3 TYR 17 5.214 0.693 -0.753 137 HD1 TYR 17 HD1 TYR 17 6.634 -1.121 0.400 138 HD2 TYR 17 HD2 TYR 17 3.871 -1.954 -2.810 139 HE1 TYR 17 HE1 TYR 17 7.935 -3.151 -0.205 140 HE2 TYR 17 HE2 TYR 17 5.153 -4.008 -3.378 141 HH TYR 17 HH TYR 17 8.193 -4.849 -1.693 142 H TYR 18 H TYR 18 1.768 -0.299 -1.573 143 HA TYR 18 HA TYR 18 0.400 -2.666 -0.381 144 HB2 TYR 18 HB2 TYR 18 -0.741 -0.463 -2.114 145 HB3 TYR 18 HB3 TYR 18 -1.589 -1.945 -1.653 146 HD1 TYR 18 HD1 TYR 18 -2.451 -2.285 0.622 147 HD2 TYR 18 HD2 TYR 18 -0.217 1.262 -0.416 148 HE1 TYR 18 HE1 TYR 18 -3.182 -1.190 2.740 149 HE2 TYR 18 HE2 TYR 18 -0.895 2.320 1.732 150 HH TYR 18 HH TYR 18 -2.069 2.067 3.676 151 H PHE 19 H PHE 19 0.053 -4.462 -1.589 152 HA PHE 19 HA PHE 19 1.075 -4.535 -4.392 153 HB2 PHE 19 HB2 PHE 19 2.964 -5.041 -2.990 154 HB3 PHE 19 HB3 PHE 19 2.028 -6.246 -2.094 155 HD1 PHE 19 HD1 PHE 19 3.259 -5.364 -5.482 156 HD2 PHE 19 HD2 PHE 19 1.924 -8.556 -2.902 157 HE1 PHE 19 HE1 PHE 19 3.858 -6.994 -7.213 158 HE2 PHE 19 HE2 PHE 19 2.605 -10.211 -4.618 159 HZ PHE 19 HZ PHE 19 3.568 -9.451 -6.783 160 H ASN 20 H ASN 20 0.037 -5.837 -5.771 161 HA ASN 20 HA ASN 20 -2.248 -7.412 -4.719 162 HB2 ASN 20 HB2 ASN 20 -2.544 -5.629 -6.484 163 HB3 ASN 20 HB3 ASN 20 -1.656 -6.680 -7.599 164 HD21 ASN 20 HD21 ASN 20 -4.697 -5.805 -6.814 165 HD22 ASN 20 HD22 ASN 20 -5.553 -7.312 -7.080 166 H HIS 21 H HIS 21 -1.902 -9.524 -4.359 167 HA HIS 21 HA HIS 21 0.433 -10.880 -5.430 168 HB2 HIS 21 HB2 HIS 21 0.006 -12.506 -3.911 169 HB3 HIS 21 HB3 HIS 21 -0.812 -11.156 -3.130 170 HD2 HIS 21 HD2 HIS 21 -3.449 -11.382 -2.766 171 HE1 HIS 21 HE1 HIS 21 -3.948 -15.282 -4.410 172 HE2 HIS 21 HE2 HIS 21 -5.073 -13.432 -3.071 173 H ILE 22 H ILE 22 -2.835 -10.593 -6.579 174 HA ILE 22 HA ILE 22 -2.825 -13.033 -8.206 175 HB ILE 22 HB ILE 22 -4.750 -10.660 -8.134 176 HG12 ILE 22 HG12 ILE 22 -4.799 -13.322 -6.625 177 HG13 ILE 22 HG13 ILE 22 -4.623 -11.709 -5.926 178 HG21 ILE 22 HG21 ILE 22 -6.348 -12.187 -9.222 179 HG22 ILE 22 HG22 ILE 22 -4.922 -11.992 -10.216 180 HG23 ILE 22 HG23 ILE 22 -5.118 -13.474 -9.251 181 HD11 ILE 22 HD11 ILE 22 -7.123 -12.875 -7.185 182 HD12 ILE 22 HD12 ILE 22 -6.848 -12.399 -5.504 183 HD13 ILE 22 HD13 ILE 22 -6.938 -11.152 -6.767 184 H THR 23 H THR 23 -2.467 -9.539 -8.690 185 HA THR 23 HA THR 23 -1.999 -9.914 -11.597 186 HB THR 23 HB THR 23 -2.812 -7.768 -11.976 187 HG1 THR 23 HG1 THR 23 -3.465 -6.654 -9.871 188 HG21 THR 23 HG21 THR 23 -4.539 -8.697 -9.642 189 HG22 THR 23 HG22 THR 23 -5.011 -7.686 -11.020 190 HG23 THR 23 HG23 THR 23 -4.616 -9.394 -11.276 191 H ASN 24 H ASN 24 -0.121 -9.295 -8.904 192 HA ASN 24 HA ASN 24 1.908 -8.532 -8.478 193 HB2 ASN 24 HB2 ASN 24 2.481 -8.833 -11.444 194 HB3 ASN 24 HB3 ASN 24 3.684 -8.628 -10.163 195 HD21 ASN 24 HD21 ASN 24 2.530 -12.329 -10.972 196 HD22 ASN 24 HD22 ASN 24 2.244 -10.955 -12.045 197 H ALA 25 H ALA 25 -0.301 -6.563 -9.520 198 HA ALA 25 HA ALA 25 1.177 -4.165 -10.183 199 HB1 ALA 25 HB1 ALA 25 -1.221 -4.483 -10.696 200 HB2 ALA 25 HB2 ALA 25 -1.589 -4.525 -8.957 201 HB3 ALA 25 HB3 ALA 25 -0.952 -3.042 -9.699 202 H SER 26 H SER 26 1.543 -2.314 -8.820 203 HA SER 26 HA SER 26 1.522 -2.723 -5.891 204 HB2 SER 26 HB2 SER 26 3.814 -1.955 -5.631 205 HB3 SER 26 HB3 SER 26 3.729 -3.465 -6.543 206 HG SER 26 HG SER 26 5.161 -1.992 -7.513 207 H GLN 27 H GLN 27 1.509 -0.825 -4.649 208 HA GLN 27 HA GLN 27 1.463 1.821 -5.985 209 HB2 GLN 27 HB2 GLN 27 -0.881 0.638 -4.434 210 HB3 GLN 27 HB3 GLN 27 -0.617 2.376 -4.638 211 HG2 GLN 27 HG2 GLN 27 -0.705 2.145 -7.072 212 HG3 GLN 27 HG3 GLN 27 -1.070 0.416 -6.899 213 HE21 GLN 27 HE21 GLN 27 -2.625 2.417 -4.433 214 HE22 GLN 27 HE22 GLN 27 -4.161 2.534 -5.295 215 H PHE 28 H PHE 28 2.145 3.483 -4.752 216 HA PHE 28 HA PHE 28 2.968 2.979 -1.983 217 HB2 PHE 28 HB2 PHE 28 3.390 5.289 -3.851 218 HB3 PHE 28 HB3 PHE 28 3.695 5.427 -2.117 219 HD1 PHE 28 HD1 PHE 28 5.427 4.072 -0.977 220 HD2 PHE 28 HD2 PHE 28 4.919 3.982 -5.261 221 HE1 PHE 28 HE1 PHE 28 7.696 3.094 -1.228 222 HE2 PHE 28 HE2 PHE 28 7.185 2.991 -5.506 223 HZ PHE 28 HZ PHE 28 8.578 2.551 -3.493 224 H GLU 29 H GLU 29 0.138 4.085 -3.430 225 HA GLU 29 HA GLU 29 -0.883 5.243 -0.874 226 HB2 GLU 29 HB2 GLU 29 -0.859 6.809 -2.784 227 HB3 GLU 29 HB3 GLU 29 -1.823 5.680 -3.732 228 HG2 GLU 29 HG2 GLU 29 -3.200 7.495 -2.879 229 HG3 GLU 29 HG3 GLU 29 -3.728 5.964 -2.200 230 H ARG 30 H ARG 30 -2.917 4.605 -0.127 231 HA ARG 30 HA ARG 30 -3.373 1.799 -0.230 232 HB2 ARG 30 HB2 ARG 30 -3.687 3.093 1.743 233 HB3 ARG 30 HB3 ARG 30 -4.926 4.092 1.008 234 HG2 ARG 30 HG2 ARG 30 -5.388 1.112 1.106 235 HG3 ARG 30 HG3 ARG 30 -5.470 2.010 2.629 236 HD2 ARG 30 HD2 ARG 30 -7.425 3.042 2.127 237 HD3 ARG 30 HD3 ARG 30 -6.975 3.326 0.452 238 HE ARG 30 HE ARG 30 -7.933 1.357 -0.229 239 HH11 ARG 30 HH11 ARG 30 -9.631 -1.066 1.417 240 HH12 ARG 30 HH12 ARG 30 -9.208 -0.332 -0.137 241 HH21 ARG 30 HH21 ARG 30 -8.905 -0.257 3.259 242 HH22 ARG 30 HH22 ARG 30 -7.895 1.176 3.295 243 HA PRO 31 HA PRO 31 -5.925 1.844 -3.908 244 HB2 PRO 31 HB2 PRO 31 -6.210 -0.825 -4.343 245 HB3 PRO 31 HB3 PRO 31 -4.626 -0.004 -4.491 246 HG2 PRO 31 HG2 PRO 31 -5.712 -1.531 -2.111 247 HG3 PRO 31 HG3 PRO 31 -4.105 -1.698 -2.889 248 HD2 PRO 31 HD2 PRO 31 -4.477 -0.166 -0.665 249 HD3 PRO 31 HD3 PRO 31 -3.320 0.294 -1.950 250 H SER 32 H SER 32 -8.067 1.829 -4.466 251 HA SER 32 HA SER 32 -10.073 0.638 -2.592 252 HB2 SER 32 HB2 SER 32 -9.956 3.525 -3.515 253 HB3 SER 32 HB3 SER 32 -11.338 2.786 -2.682 254 HG SER 32 HG SER 32 -9.912 3.854 -1.246 255 H GLY 33 H GLY 33 -9.150 0.253 -5.579 256 HA2 GLY 33 HA2 GLY 33 -11.565 -0.834 -6.580 257 HA3 GLY 33 HA3 GLY 33 -11.393 0.775 -7.281 258 H1 GAL 101 H1 GAL 34 11.814 1.607 0.500 259 H2 GAL 101 H2 GAL 34 13.415 4.025 -0.499 260 H3 GAL 101 H3 GAL 34 10.566 3.164 -1.206 261 H4 GAL 101 H4 GAL 34 11.403 2.692 -3.465 262 H5 GAL 101 H5 GAL 34 11.433 0.850 -1.853 263 H61 GAL 101 H61 GAL 34 13.034 -0.682 -2.842 264 H62 GAL 101 H62 GAL 34 12.347 0.348 -4.114 265 HO2 GAL 101 H2O GAL 34 11.645 5.152 0.471 266 HO3 GAL 101 H3O GAL 34 10.630 4.971 -2.566 267 HO4 GAL 101 H4O GAL 34 13.178 4.268 -3.238 268 HO6 GAL 101 H6O GAL 34 14.277 1.752 -3.507 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 -10.986 -4.393 5.801 2 H2 LYS 1 H2 LYS 1 -11.243 -4.628 4.202 3 H3 LYS 1 H3 LYS 1 -11.035 -3.111 4.788 4 HA LYS 1 HA LYS 1 -8.786 -3.562 5.419 5 HB2 LYS 1 HB2 LYS 1 -9.019 -5.904 5.949 6 HB3 LYS 1 HB3 LYS 1 -9.322 -6.318 4.264 7 HG2 LYS 1 HG2 LYS 1 -7.006 -5.681 3.671 8 HG3 LYS 1 HG3 LYS 1 -6.699 -5.179 5.342 9 HD2 LYS 1 HD2 LYS 1 -6.869 -7.457 6.127 10 HD3 LYS 1 HD3 LYS 1 -7.615 -7.991 4.617 11 HE2 LYS 1 HE2 LYS 1 -5.349 -8.777 4.630 12 HE3 LYS 1 HE3 LYS 1 -5.530 -7.550 3.378 13 HZ1 LYS 1 HZ1 LYS 1 -3.508 -7.204 4.585 14 HZ2 LYS 1 HZ2 LYS 1 -4.499 -5.951 4.939 15 HZ3 LYS 1 HZ3 LYS 1 -4.273 -7.149 6.036 16 H LEU 2 H LEU 2 -9.022 -5.341 2.362 17 HA LEU 2 HA LEU 2 -8.253 -2.931 0.816 18 HB2 LEU 2 HB2 LEU 2 -6.721 -5.542 1.137 19 HB3 LEU 2 HB3 LEU 2 -6.406 -4.394 -0.166 20 HG LEU 2 HG LEU 2 -6.132 -3.633 2.761 21 HD11 LEU 2 HD11 LEU 2 -3.723 -3.887 2.434 22 HD12 LEU 2 HD12 LEU 2 -4.551 -5.436 2.184 23 HD13 LEU 2 HD13 LEU 2 -3.989 -4.494 0.785 24 HD21 LEU 2 HD21 LEU 2 -5.049 -2.369 0.212 25 HD22 LEU 2 HD22 LEU 2 -6.445 -1.759 1.135 26 HD23 LEU 2 HD23 LEU 2 -4.842 -1.765 1.870 27 HA PRO 3 HA PRO 3 -10.716 -4.754 -2.375 28 HB2 PRO 3 HB2 PRO 3 -8.814 -4.001 -4.522 29 HB3 PRO 3 HB3 PRO 3 -10.471 -3.409 -4.218 30 HG2 PRO 3 HG2 PRO 3 -8.242 -1.869 -3.761 31 HG3 PRO 3 HG3 PRO 3 -9.724 -1.746 -2.753 32 HD2 PRO 3 HD2 PRO 3 -7.182 -3.287 -2.196 33 HD3 PRO 3 HD3 PRO 3 -8.098 -2.196 -1.117 34 HA PRO 4 HA PRO 4 -9.633 -8.799 -3.490 35 HB2 PRO 4 HB2 PRO 4 -10.020 -8.225 -6.437 36 HB3 PRO 4 HB3 PRO 4 -10.622 -9.610 -5.465 37 HG2 PRO 4 HG2 PRO 4 -12.275 -7.548 -6.012 38 HG3 PRO 4 HG3 PRO 4 -12.220 -8.210 -4.343 39 HD2 PRO 4 HD2 PRO 4 -10.850 -5.738 -5.435 40 HD3 PRO 4 HD3 PRO 4 -11.752 -5.951 -3.901 41 H GLY 5 H GLY 5 -7.733 -9.718 -3.340 42 HA2 GLY 5 HA2 GLY 5 -5.685 -10.590 -3.983 43 HA3 GLY 5 HA3 GLY 5 -5.672 -9.530 -5.407 44 H TRP 6 H TRP 6 -6.158 -7.238 -3.190 45 HA TRP 6 HA TRP 6 -3.340 -6.523 -3.094 46 HB2 TRP 6 HB2 TRP 6 -5.830 -5.180 -2.092 47 HB3 TRP 6 HB3 TRP 6 -4.210 -4.513 -1.859 48 HD1 TRP 6 HD1 TRP 6 -6.885 -5.024 -4.471 49 HE1 TRP 6 HE1 TRP 6 -6.374 -3.603 -6.554 50 HE3 TRP 6 HE3 TRP 6 -2.072 -3.731 -3.367 51 HZ2 TRP 6 HZ2 TRP 6 -4.014 -2.522 -7.793 52 HZ3 TRP 6 HZ3 TRP 6 -0.675 -2.545 -5.063 53 HH2 TRP 6 HH2 TRP 6 -1.627 -1.942 -7.271 54 H GLU 7 H GLU 7 -1.934 -6.407 -1.454 55 HA GLU 7 HA GLU 7 -2.770 -6.745 1.344 56 HB2 GLU 7 HB2 GLU 7 -2.428 -9.031 0.695 57 HB3 GLU 7 HB3 GLU 7 -0.942 -8.639 -0.146 58 HG2 GLU 7 HG2 GLU 7 -0.511 -9.887 1.871 59 HG3 GLU 7 HG3 GLU 7 0.261 -8.318 1.902 60 H LYS 8 H LYS 8 -1.267 -5.980 2.870 61 HA LYS 8 HA LYS 8 0.520 -3.849 1.939 62 HB2 LYS 8 HB2 LYS 8 -0.294 -4.880 4.663 63 HB3 LYS 8 HB3 LYS 8 1.118 -3.826 4.486 64 HG2 LYS 8 HG2 LYS 8 -0.212 -2.103 3.377 65 HG3 LYS 8 HG3 LYS 8 -1.646 -3.150 3.436 66 HD2 LYS 8 HD2 LYS 8 -1.827 -1.518 5.200 67 HD3 LYS 8 HD3 LYS 8 -1.528 -3.095 5.947 68 HE2 LYS 8 HE2 LYS 8 0.894 -2.501 6.179 69 HE3 LYS 8 HE3 LYS 8 0.574 -0.937 5.419 70 HZ1 LYS 8 HZ1 LYS 8 -0.902 -0.408 7.284 71 HZ2 LYS 8 HZ2 LYS 8 -0.615 -1.858 7.981 72 HZ3 LYS 8 HZ3 LYS 8 0.590 -0.768 7.842 73 H ARG 9 H ARG 9 2.588 -3.705 1.901 74 HA ARG 9 HA ARG 9 4.395 -5.986 2.628 75 HB2 ARG 9 HB2 ARG 9 4.648 -4.275 0.144 76 HB3 ARG 9 HB3 ARG 9 5.627 -5.676 0.564 77 HG2 ARG 9 HG2 ARG 9 2.766 -5.597 -0.436 78 HG3 ARG 9 HG3 ARG 9 4.208 -6.208 -1.257 79 HD2 ARG 9 HD2 ARG 9 2.631 -7.503 0.966 80 HD3 ARG 9 HD3 ARG 9 2.958 -8.096 -0.654 81 HE ARG 9 HE ARG 9 5.272 -8.519 -0.038 82 HH11 ARG 9 HH11 ARG 9 3.158 -8.015 2.754 83 HH12 ARG 9 HH12 ARG 9 4.153 -9.044 3.755 84 HH21 ARG 9 HH21 ARG 9 6.501 -9.705 1.347 85 HH22 ARG 9 HH22 ARG 9 5.993 -9.930 2.998 86 H MET 10 H MET 10 6.737 -5.215 2.561 87 HA MET 10 HA MET 10 7.159 -2.376 3.097 88 HB2 MET 10 HB2 MET 10 6.321 -3.268 5.280 89 HB3 MET 10 HB3 MET 10 7.669 -4.410 5.298 90 HG2 MET 10 HG2 MET 10 9.225 -2.391 5.192 91 HG3 MET 10 HG3 MET 10 7.810 -1.374 5.442 92 HE1 MET 10 HE1 MET 10 6.058 -2.858 7.592 93 HE2 MET 10 HE2 MET 10 6.762 -2.295 9.120 94 HE3 MET 10 HE3 MET 10 6.535 -1.152 7.783 95 H PHE 11 H PHE 11 9.102 -1.741 2.526 96 HA PHE 11 HA PHE 11 11.110 -3.530 1.443 97 HB2 PHE 11 HB2 PHE 11 10.985 -0.541 1.854 98 HB3 PHE 11 HB3 PHE 11 12.365 -1.359 1.120 99 HD1 PHE 11 HD1 PHE 11 11.957 -2.818 -0.987 100 HD2 PHE 11 HD2 PHE 11 9.156 0.117 0.476 101 HE1 PHE 11 HE1 PHE 11 10.932 -2.659 -3.243 102 HE2 PHE 11 HE2 PHE 11 8.158 0.296 -1.772 103 HZ PHE 11 HZ PHE 11 9.039 -1.092 -3.647 104 H ALA 12 H ALA 12 13.414 -3.489 1.994 105 HA ALA 12 HA ALA 12 13.913 -4.178 4.696 106 HB1 ALA 12 HB1 ALA 12 15.185 -5.007 2.751 107 HB2 ALA 12 HB2 ALA 12 15.856 -3.379 2.481 108 HB3 ALA 12 HB3 ALA 12 16.265 -4.282 3.957 109 H ASN 13 H ASN 13 13.988 -1.010 3.224 110 HA ASN 13 HA ASN 13 15.505 0.270 5.393 111 HB2 ASN 13 HB2 ASN 13 15.092 2.339 4.127 112 HB3 ASN 13 HB3 ASN 13 15.763 1.058 3.104 113 HD21 ASN 13 HD21 ASN 13 14.939 2.496 1.376 114 H GLY 14 H GLY 14 12.368 -0.892 5.316 115 HA2 GLY 14 HA2 GLY 14 10.767 -0.651 6.991 116 HA3 GLY 14 HA3 GLY 14 11.515 0.860 7.537 117 H THR 15 H THR 15 10.780 0.595 4.112 118 HA THR 15 HA THR 15 8.643 2.646 4.361 119 HB THR 15 HB THR 15 10.065 1.471 1.946 120 HG1 THR 15 HG1 THR 15 11.424 2.612 3.154 121 HG21 THR 15 HG21 THR 15 8.164 3.822 2.153 122 HG22 THR 15 HG22 THR 15 9.214 3.482 0.755 123 HG23 THR 15 HG23 THR 15 7.952 2.327 1.200 124 H VAL 16 H VAL 16 6.510 2.187 4.094 125 HA VAL 16 HA VAL 16 5.686 -0.609 3.494 126 HB VAL 16 HB VAL 16 4.247 1.795 4.673 127 HG11 VAL 16 HG11 VAL 16 2.350 0.290 5.164 128 HG12 VAL 16 HG12 VAL 16 2.540 0.543 3.433 129 HG13 VAL 16 HG13 VAL 16 3.094 -0.982 4.168 130 HG21 VAL 16 HG21 VAL 16 5.826 0.626 6.186 131 HG22 VAL 16 HG22 VAL 16 4.149 0.380 6.695 132 HG23 VAL 16 HG23 VAL 16 5.008 -0.917 5.839 133 H TYR 17 H TYR 17 4.315 -1.176 1.869 134 HA TYR 17 HA TYR 17 3.078 0.797 0.084 135 HB2 TYR 17 HB2 TYR 17 4.100 0.017 -1.942 136 HB3 TYR 17 HB3 TYR 17 5.374 0.519 -0.864 137 HD1 TYR 17 HD1 TYR 17 6.725 -1.268 0.394 138 HD2 TYR 17 HD2 TYR 17 4.101 -2.168 -2.925 139 HE1 TYR 17 HE1 TYR 17 7.963 -3.392 -0.024 140 HE2 TYR 17 HE2 TYR 17 5.313 -4.297 -3.306 141 HH TYR 17 HH TYR 17 7.084 -5.602 -2.692 142 H TYR 18 H TYR 18 1.964 -0.610 -1.758 143 HA TYR 18 HA TYR 18 0.614 -2.964 -0.501 144 HB2 TYR 18 HB2 TYR 18 -0.563 -0.823 -2.311 145 HB3 TYR 18 HB3 TYR 18 -1.415 -2.225 -1.650 146 HD1 TYR 18 HD1 TYR 18 -0.000 1.106 -0.875 147 HD2 TYR 18 HD2 TYR 18 -2.129 -2.306 0.692 148 HE1 TYR 18 HE1 TYR 18 -0.568 2.402 1.172 149 HE2 TYR 18 HE2 TYR 18 -2.738 -0.989 2.714 150 HH TYR 18 HH TYR 18 -2.549 1.002 3.804 151 H PHE 19 H PHE 19 0.283 -4.747 -1.752 152 HA PHE 19 HA PHE 19 1.105 -4.717 -4.627 153 HB2 PHE 19 HB2 PHE 19 3.049 -5.396 -3.371 154 HB3 PHE 19 HB3 PHE 19 2.091 -6.605 -2.494 155 HD1 PHE 19 HD1 PHE 19 3.154 -5.601 -5.904 156 HD2 PHE 19 HD2 PHE 19 1.878 -8.852 -3.376 157 HE1 PHE 19 HE1 PHE 19 3.580 -7.169 -7.738 158 HE2 PHE 19 HE2 PHE 19 2.383 -10.454 -5.201 159 HZ PHE 19 HZ PHE 19 3.226 -9.633 -7.395 160 H ASN 20 H ASN 20 -0.081 -5.928 -5.985 161 HA ASN 20 HA ASN 20 -2.345 -7.474 -4.836 162 HB2 ASN 20 HB2 ASN 20 -2.723 -5.590 -6.475 163 HB3 ASN 20 HB3 ASN 20 -1.949 -6.596 -7.710 164 HD21 ASN 20 HD21 ASN 20 -4.902 -5.690 -6.663 165 HD22 ASN 20 HD22 ASN 20 -5.813 -7.160 -6.943 166 H HIS 21 H HIS 21 -2.026 -9.611 -4.610 167 HA HIS 21 HA HIS 21 0.178 -10.966 -5.927 168 HB2 HIS 21 HB2 HIS 21 -0.206 -12.684 -4.487 169 HB3 HIS 21 HB3 HIS 21 -0.880 -11.346 -3.561 170 HD2 HIS 21 HD2 HIS 21 -3.472 -11.495 -2.945 171 HE1 HIS 21 HE1 HIS 21 -4.312 -15.249 -4.780 172 HE2 HIS 21 HE2 HIS 21 -5.212 -13.453 -3.216 173 H ILE 22 H ILE 22 -3.140 -10.519 -6.826 174 HA ILE 22 HA ILE 22 -3.336 -12.878 -8.559 175 HB ILE 22 HB ILE 22 -5.182 -10.466 -8.225 176 HG12 ILE 22 HG12 ILE 22 -5.159 -13.177 -6.803 177 HG13 ILE 22 HG13 ILE 22 -4.894 -11.593 -6.072 178 HG21 ILE 22 HG21 ILE 22 -5.562 -11.722 -10.329 179 HG22 ILE 22 HG22 ILE 22 -5.716 -13.231 -9.398 180 HG23 ILE 22 HG23 ILE 22 -6.904 -11.917 -9.222 181 HD11 ILE 22 HD11 ILE 22 -7.260 -10.968 -6.686 182 HD12 ILE 22 HD12 ILE 22 -7.515 -12.672 -7.146 183 HD13 ILE 22 HD13 ILE 22 -7.084 -12.260 -5.480 184 H THR 23 H THR 23 -2.924 -9.373 -8.902 185 HA THR 23 HA THR 23 -2.673 -9.609 -11.851 186 HB THR 23 HB THR 23 -3.393 -7.401 -12.053 187 HG1 THR 23 HG1 THR 23 -3.857 -6.413 -9.822 188 HG21 THR 23 HG21 THR 23 -5.517 -7.275 -10.940 189 HG22 THR 23 HG22 THR 23 -5.227 -8.979 -11.335 190 HG23 THR 23 HG23 THR 23 -5.006 -8.401 -9.667 191 H ASN 24 H ASN 24 -0.590 -9.234 -9.267 192 HA ASN 24 HA ASN 24 1.500 -8.600 -8.942 193 HB2 ASN 24 HB2 ASN 24 1.857 -8.756 -11.951 194 HB3 ASN 24 HB3 ASN 24 3.153 -8.680 -10.751 195 HD21 ASN 24 HD21 ASN 24 1.430 -10.828 -12.628 196 HD22 ASN 24 HD22 ASN 24 1.735 -12.271 -11.657 197 H ALA 25 H ALA 25 -0.664 -6.467 -9.689 198 HA ALA 25 HA ALA 25 0.885 -4.119 -10.361 199 HB1 ALA 25 HB1 ALA 25 -1.132 -2.910 -9.654 200 HB2 ALA 25 HB2 ALA 25 -1.559 -4.284 -10.690 201 HB3 ALA 25 HB3 ALA 25 -1.792 -4.391 -8.929 202 H SER 26 H SER 26 1.538 -2.398 -8.992 203 HA SER 26 HA SER 26 1.613 -2.843 -6.067 204 HB2 SER 26 HB2 SER 26 3.976 -2.084 -5.955 205 HB3 SER 26 HB3 SER 26 3.761 -3.676 -6.666 206 HG SER 26 HG SER 26 4.130 -1.243 -8.111 207 H GLN 27 H GLN 27 1.632 -0.975 -4.818 208 HA GLN 27 HA GLN 27 1.848 1.677 -6.078 209 HB2 GLN 27 HB2 GLN 27 -0.743 0.389 -5.487 210 HB3 GLN 27 HB3 GLN 27 -0.552 1.883 -4.599 211 HG2 GLN 27 HG2 GLN 27 -0.212 1.641 -7.608 212 HG3 GLN 27 HG3 GLN 27 -1.677 2.163 -6.785 213 HE21 GLN 27 HE21 GLN 27 -0.813 3.943 -8.574 214 HE22 GLN 27 HE22 GLN 27 -0.001 5.292 -7.769 215 H PHE 28 H PHE 28 2.173 3.359 -4.683 216 HA PHE 28 HA PHE 28 2.892 2.699 -1.888 217 HB2 PHE 28 HB2 PHE 28 3.399 5.127 -3.605 218 HB3 PHE 28 HB3 PHE 28 3.668 5.103 -1.858 219 HD1 PHE 28 HD1 PHE 28 5.357 3.576 -0.823 220 HD2 PHE 28 HD2 PHE 28 4.970 4.013 -5.099 221 HE1 PHE 28 HE1 PHE 28 7.620 2.605 -1.134 222 HE2 PHE 28 HE2 PHE 28 7.231 3.028 -5.402 223 HZ PHE 28 HZ PHE 28 8.562 2.328 -3.420 224 H GLU 29 H GLU 29 0.392 4.325 -3.672 225 HA GLU 29 HA GLU 29 -0.925 5.445 -1.279 226 HB2 GLU 29 HB2 GLU 29 -0.943 6.649 -3.411 227 HB3 GLU 29 HB3 GLU 29 -1.761 5.291 -4.202 228 HG2 GLU 29 HG2 GLU 29 -3.741 5.610 -2.805 229 HG3 GLU 29 HG3 GLU 29 -2.913 6.846 -1.850 230 H ARG 30 H ARG 30 -2.814 4.642 -0.345 231 HA ARG 30 HA ARG 30 -3.199 1.831 -0.325 232 HB2 ARG 30 HB2 ARG 30 -3.594 3.156 1.580 233 HB3 ARG 30 HB3 ARG 30 -4.829 4.127 0.792 234 HG2 ARG 30 HG2 ARG 30 -5.240 1.138 1.026 235 HG3 ARG 30 HG3 ARG 30 -5.423 2.142 2.473 236 HD2 ARG 30 HD2 ARG 30 -7.353 3.117 1.781 237 HD3 ARG 30 HD3 ARG 30 -6.833 3.232 0.106 238 HE ARG 30 HE ARG 30 -7.840 1.260 -0.409 239 HH11 ARG 30 HH11 ARG 30 -7.451 1.108 3.087 240 HH12 ARG 30 HH12 ARG 30 -8.350 -0.398 3.150 241 HH21 ARG 30 HH21 ARG 30 -9.241 -0.375 -0.139 242 HH22 ARG 30 HH22 ARG 30 -9.444 -1.102 1.447 243 HA PRO 31 HA PRO 31 -5.360 1.530 -4.154 244 HB2 PRO 31 HB2 PRO 31 -5.868 -1.150 -4.282 245 HB3 PRO 31 HB3 PRO 31 -4.212 -0.467 -4.343 246 HG2 PRO 31 HG2 PRO 31 -5.690 -1.526 -1.908 247 HG3 PRO 31 HG3 PRO 31 -4.048 -1.980 -2.475 248 HD2 PRO 31 HD2 PRO 31 -4.379 -0.126 -0.557 249 HD3 PRO 31 HD3 PRO 31 -3.148 0.100 -1.834 250 H SER 32 H SER 32 -7.348 1.108 -5.207 251 HA SER 32 HA SER 32 -9.755 0.622 -3.530 252 HB2 SER 32 HB2 SER 32 -9.221 3.050 -3.472 253 HB3 SER 32 HB3 SER 32 -9.374 3.106 -5.235 254 HG SER 32 HG SER 32 -11.527 2.326 -4.952 255 H GLY 33 H GLY 33 -8.413 -0.909 -5.728 256 HA2 GLY 33 HA2 GLY 33 -10.793 -1.663 -7.228 257 HA3 GLY 33 HA3 GLY 33 -9.589 -0.850 -8.231 258 H1 GAL 101 H1 GAL 34 12.104 1.793 0.748 259 H2 GAL 101 H2 GAL 34 13.784 4.066 -0.440 260 H3 GAL 101 H3 GAL 34 10.895 3.191 -0.950 261 H4 GAL 101 H4 GAL 34 11.641 2.479 -3.162 262 H5 GAL 101 H5 GAL 34 11.842 0.748 -1.472 263 H61 GAL 101 H61 GAL 34 12.750 -0.051 -3.561 264 H62 GAL 101 H62 GAL 34 14.291 0.794 -3.291 265 HO2 GAL 101 H2O GAL 34 11.673 4.052 1.496 266 HO3 GAL 101 H3O GAL 34 11.468 5.492 -1.169 267 HO4 GAL 101 H4O GAL 34 13.335 4.128 -3.196 268 HO6 GAL 101 H6O GAL 34 14.352 -0.486 -1.261 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 -11.080 -4.398 5.706 2 H2 LYS 1 H2 LYS 1 -11.379 -3.392 4.453 3 H3 LYS 1 H3 LYS 1 -10.958 -4.951 4.171 4 HA LYS 1 HA LYS 1 -9.252 -2.892 5.406 5 HB2 LYS 1 HB2 LYS 1 -8.825 -5.164 6.313 6 HB3 LYS 1 HB3 LYS 1 -8.530 -5.762 4.686 7 HG2 LYS 1 HG2 LYS 1 -6.659 -3.935 4.578 8 HG3 LYS 1 HG3 LYS 1 -6.874 -3.809 6.326 9 HD2 LYS 1 HD2 LYS 1 -6.386 -6.280 6.495 10 HD3 LYS 1 HD3 LYS 1 -6.109 -6.308 4.737 11 HE2 LYS 1 HE2 LYS 1 -4.321 -4.549 5.054 12 HE3 LYS 1 HE3 LYS 1 -4.562 -4.684 6.803 13 HZ1 LYS 1 HZ1 LYS 1 -2.753 -6.094 6.211 14 HZ2 LYS 1 HZ2 LYS 1 -3.991 -7.111 6.515 15 HZ3 LYS 1 HZ3 LYS 1 -3.531 -6.788 4.968 16 H LEU 2 H LEU 2 -8.449 -5.139 2.790 17 HA LEU 2 HA LEU 2 -8.035 -2.881 0.904 18 HB2 LEU 2 HB2 LEU 2 -6.360 -5.131 1.891 19 HB3 LEU 2 HB3 LEU 2 -6.416 -5.011 0.133 20 HG LEU 2 HG LEU 2 -5.610 -2.757 0.162 21 HD11 LEU 2 HD11 LEU 2 -4.757 -1.604 2.117 22 HD12 LEU 2 HD12 LEU 2 -6.492 -1.868 2.309 23 HD13 LEU 2 HD13 LEU 2 -5.327 -2.897 3.181 24 HD21 LEU 2 HD21 LEU 2 -4.011 -4.628 0.218 25 HD22 LEU 2 HD22 LEU 2 -3.340 -3.214 1.025 26 HD23 LEU 2 HD23 LEU 2 -3.974 -4.560 1.992 27 HA PRO 3 HA PRO 3 -10.734 -4.946 -1.937 28 HB2 PRO 3 HB2 PRO 3 -8.982 -4.326 -4.257 29 HB3 PRO 3 HB3 PRO 3 -10.634 -3.746 -3.899 30 HG2 PRO 3 HG2 PRO 3 -8.437 -2.127 -3.687 31 HG3 PRO 3 HG3 PRO 3 -9.836 -1.983 -2.568 32 HD2 PRO 3 HD2 PRO 3 -7.219 -3.443 -2.142 33 HD3 PRO 3 HD3 PRO 3 -8.066 -2.301 -1.058 34 HA PRO 4 HA PRO 4 -9.631 -9.055 -2.992 35 HB2 PRO 4 HB2 PRO 4 -10.384 -8.582 -5.883 36 HB3 PRO 4 HB3 PRO 4 -10.828 -9.949 -4.808 37 HG2 PRO 4 HG2 PRO 4 -12.598 -7.953 -5.232 38 HG3 PRO 4 HG3 PRO 4 -12.340 -8.561 -3.560 39 HD2 PRO 4 HD2 PRO 4 -11.168 -6.090 -4.867 40 HD3 PRO 4 HD3 PRO 4 -11.902 -6.273 -3.242 41 H GLY 5 H GLY 5 -7.750 -10.046 -3.221 42 HA2 GLY 5 HA2 GLY 5 -5.714 -10.742 -4.016 43 HA3 GLY 5 HA3 GLY 5 -5.936 -9.749 -5.466 44 H TRP 6 H TRP 6 -6.284 -7.436 -3.177 45 HA TRP 6 HA TRP 6 -3.441 -6.668 -3.209 46 HB2 TRP 6 HB2 TRP 6 -5.912 -5.276 -2.182 47 HB3 TRP 6 HB3 TRP 6 -4.271 -4.648 -2.016 48 HD1 TRP 6 HD1 TRP 6 -6.971 -5.176 -4.626 49 HE1 TRP 6 HE1 TRP 6 -6.450 -3.758 -6.704 50 HE3 TRP 6 HE3 TRP 6 -2.195 -3.787 -3.436 51 HZ2 TRP 6 HZ2 TRP 6 -4.106 -2.521 -7.862 52 HZ3 TRP 6 HZ3 TRP 6 -0.807 -2.540 -5.084 53 HH2 TRP 6 HH2 TRP 6 -1.747 -1.904 -7.292 54 H GLU 7 H GLU 7 -2.073 -6.460 -1.506 55 HA GLU 7 HA GLU 7 -3.040 -6.663 1.240 56 HB2 GLU 7 HB2 GLU 7 -2.663 -9.001 0.742 57 HB3 GLU 7 HB3 GLU 7 -1.094 -8.654 0.049 58 HG2 GLU 7 HG2 GLU 7 -0.952 -9.784 2.202 59 HG3 GLU 7 HG3 GLU 7 -0.105 -8.255 2.167 60 H LYS 8 H LYS 8 -1.578 -5.801 2.794 61 HA LYS 8 HA LYS 8 0.215 -3.710 1.829 62 HB2 LYS 8 HB2 LYS 8 -0.536 -4.730 4.571 63 HB3 LYS 8 HB3 LYS 8 0.884 -3.693 4.364 64 HG2 LYS 8 HG2 LYS 8 -0.469 -1.976 3.233 65 HG3 LYS 8 HG3 LYS 8 -1.911 -2.997 3.397 66 HD2 LYS 8 HD2 LYS 8 -1.980 -1.314 5.115 67 HD3 LYS 8 HD3 LYS 8 -1.649 -2.865 5.901 68 HE2 LYS 8 HE2 LYS 8 0.781 -2.280 6.001 69 HE3 LYS 8 HE3 LYS 8 0.447 -0.758 5.172 70 HZ1 LYS 8 HZ1 LYS 8 -0.641 -1.519 7.830 71 HZ2 LYS 8 HZ2 LYS 8 0.571 -0.456 7.577 72 HZ3 LYS 8 HZ3 LYS 8 -0.938 -0.104 7.065 73 H ARG 9 H ARG 9 2.356 -3.495 1.941 74 HA ARG 9 HA ARG 9 4.120 -5.860 2.399 75 HB2 ARG 9 HB2 ARG 9 3.132 -5.285 -0.138 76 HB3 ARG 9 HB3 ARG 9 4.542 -4.256 -0.095 77 HG2 ARG 9 HG2 ARG 9 5.414 -6.176 -1.018 78 HG3 ARG 9 HG3 ARG 9 5.794 -6.476 0.688 79 HD2 ARG 9 HD2 ARG 9 3.506 -7.617 -0.977 80 HD3 ARG 9 HD3 ARG 9 4.926 -8.485 -0.373 81 HE ARG 9 HE ARG 9 2.779 -7.318 1.391 82 HH11 ARG 9 HH11 ARG 9 2.134 -8.363 3.093 83 HH12 ARG 9 HH12 ARG 9 2.696 -9.989 3.447 84 HH21 ARG 9 HH21 ARG 9 4.816 -10.113 0.731 85 HH22 ARG 9 HH22 ARG 9 4.199 -10.952 2.132 86 H MET 10 H MET 10 6.479 -5.206 2.258 87 HA MET 10 HA MET 10 7.029 -2.375 2.816 88 HB2 MET 10 HB2 MET 10 6.142 -3.364 4.979 89 HB3 MET 10 HB3 MET 10 7.529 -4.458 4.976 90 HG2 MET 10 HG2 MET 10 9.030 -2.409 4.969 91 HG3 MET 10 HG3 MET 10 7.576 -1.419 5.074 92 HE1 MET 10 HE1 MET 10 9.405 -4.025 8.421 93 HE2 MET 10 HE2 MET 10 8.791 -4.772 6.932 94 HE3 MET 10 HE3 MET 10 10.158 -3.637 6.859 95 H PHE 11 H PHE 11 9.032 -1.785 2.412 96 HA PHE 11 HA PHE 11 10.963 -3.612 1.233 97 HB2 PHE 11 HB2 PHE 11 10.908 -0.646 1.764 98 HB3 PHE 11 HB3 PHE 11 12.296 -1.460 1.023 99 HD1 PHE 11 HD1 PHE 11 9.233 0.219 0.394 100 HD2 PHE 11 HD2 PHE 11 11.787 -2.904 -1.136 101 HE1 PHE 11 HE1 PHE 11 8.224 0.497 -1.841 102 HE2 PHE 11 HE2 PHE 11 10.766 -2.625 -3.386 103 HZ PHE 11 HZ PHE 11 8.989 -0.919 -3.747 104 H ALA 12 H ALA 12 13.264 -3.671 1.809 105 HA ALA 12 HA ALA 12 13.704 -4.476 4.499 106 HB1 ALA 12 HB1 ALA 12 14.953 -5.311 2.540 107 HB2 ALA 12 HB2 ALA 12 15.696 -3.707 2.318 108 HB3 ALA 12 HB3 ALA 12 16.054 -4.665 3.771 109 H ASN 13 H ASN 13 13.922 -1.289 3.102 110 HA ASN 13 HA ASN 13 15.473 -0.085 5.280 111 HB2 ASN 13 HB2 ASN 13 14.991 2.032 4.080 112 HB3 ASN 13 HB3 ASN 13 15.695 0.790 3.034 113 HD21 ASN 13 HD21 ASN 13 14.848 2.215 1.330 114 H GLY 14 H GLY 14 12.286 -1.175 5.179 115 HA2 GLY 14 HA2 GLY 14 10.722 -0.999 6.894 116 HA3 GLY 14 HA3 GLY 14 11.524 0.447 7.529 117 H THR 15 H THR 15 10.828 0.579 4.109 118 HA THR 15 HA THR 15 8.657 2.564 4.568 119 HB THR 15 HB THR 15 10.291 1.708 2.148 120 HG1 THR 15 HG1 THR 15 11.131 3.727 2.364 121 HG21 THR 15 HG21 THR 15 8.138 2.317 1.221 122 HG22 THR 15 HG22 THR 15 8.058 3.769 2.251 123 HG23 THR 15 HG23 THR 15 9.267 3.643 0.952 124 H VAL 16 H VAL 16 6.561 2.127 4.210 125 HA VAL 16 HA VAL 16 5.739 -0.623 3.439 126 HB VAL 16 HB VAL 16 4.363 1.716 4.808 127 HG11 VAL 16 HG11 VAL 16 2.595 0.676 3.465 128 HG12 VAL 16 HG12 VAL 16 3.068 -0.938 4.053 129 HG13 VAL 16 HG13 VAL 16 2.394 0.274 5.166 130 HG21 VAL 16 HG21 VAL 16 4.971 -1.132 5.719 131 HG22 VAL 16 HG22 VAL 16 5.883 0.320 6.195 132 HG23 VAL 16 HG23 VAL 16 4.192 0.132 6.688 133 H TYR 17 H TYR 17 4.324 -1.077 1.830 134 HA TYR 17 HA TYR 17 3.158 0.979 0.092 135 HB2 TYR 17 HB2 TYR 17 4.148 0.179 -1.942 136 HB3 TYR 17 HB3 TYR 17 5.424 0.647 -0.858 137 HD1 TYR 17 HD1 TYR 17 6.760 -1.175 0.365 138 HD2 TYR 17 HD2 TYR 17 4.085 -2.001 -2.926 139 HE1 TYR 17 HE1 TYR 17 8.037 -3.240 -0.163 140 HE2 TYR 17 HE2 TYR 17 5.356 -4.080 -3.428 141 HH TYR 17 HH TYR 17 8.313 -4.962 -1.622 142 H TYR 18 H TYR 18 1.996 -0.378 -1.784 143 HA TYR 18 HA TYR 18 0.482 -2.614 -0.473 144 HB2 TYR 18 HB2 TYR 18 -0.531 -0.487 -2.399 145 HB3 TYR 18 HB3 TYR 18 -1.483 -1.739 -1.584 146 HD1 TYR 18 HD1 TYR 18 0.193 1.533 -1.219 147 HD2 TYR 18 HD2 TYR 18 -1.954 -1.574 0.851 148 HE1 TYR 18 HE1 TYR 18 -0.095 3.040 0.736 149 HE2 TYR 18 HE2 TYR 18 -2.280 -0.057 2.795 150 HH TYR 18 HH TYR 18 -0.941 3.260 2.844 151 H PHE 19 H PHE 19 0.153 -4.434 -1.676 152 HA PHE 19 HA PHE 19 1.081 -4.494 -4.505 153 HB2 PHE 19 HB2 PHE 19 3.017 -5.013 -3.209 154 HB3 PHE 19 HB3 PHE 19 2.117 -6.190 -2.238 155 HD1 PHE 19 HD1 PHE 19 3.120 -5.396 -5.722 156 HD2 PHE 19 HD2 PHE 19 2.035 -8.515 -2.953 157 HE1 PHE 19 HE1 PHE 19 3.591 -7.060 -7.451 158 HE2 PHE 19 HE2 PHE 19 2.581 -10.219 -4.676 159 HZ PHE 19 HZ PHE 19 3.348 -9.512 -6.937 160 H ASN 20 H ASN 20 0.065 -5.820 -5.889 161 HA ASN 20 HA ASN 20 -2.203 -7.418 -4.807 162 HB2 ASN 20 HB2 ASN 20 -2.606 -5.562 -6.465 163 HB3 ASN 20 HB3 ASN 20 -1.728 -6.524 -7.664 164 HD21 ASN 20 HD21 ASN 20 -4.788 -5.769 -6.770 165 HD22 ASN 20 HD22 ASN 20 -5.579 -7.278 -7.200 166 H HIS 21 H HIS 21 -1.841 -9.538 -4.560 167 HA HIS 21 HA HIS 21 0.475 -10.803 -5.822 168 HB2 HIS 21 HB2 HIS 21 0.278 -12.436 -4.273 169 HB3 HIS 21 HB3 HIS 21 -0.493 -11.112 -3.402 170 HD2 HIS 21 HD2 HIS 21 -3.251 -11.303 -3.108 171 HE1 HIS 21 HE1 HIS 21 -3.478 -15.445 -4.079 172 HE2 HIS 21 HE2 HIS 21 -4.725 -13.479 -3.050 173 H ILE 22 H ILE 22 -2.813 -10.504 -6.731 174 HA ILE 22 HA ILE 22 -2.961 -12.945 -8.373 175 HB ILE 22 HB ILE 22 -4.811 -10.539 -8.110 176 HG12 ILE 22 HG12 ILE 22 -4.539 -11.764 -5.945 177 HG13 ILE 22 HG13 ILE 22 -6.173 -11.777 -6.582 178 HG21 ILE 22 HG21 ILE 22 -5.261 -13.221 -9.447 179 HG22 ILE 22 HG22 ILE 22 -6.555 -12.069 -9.037 180 HG23 ILE 22 HG23 ILE 22 -5.295 -11.607 -10.183 181 HD11 ILE 22 HD11 ILE 22 -5.888 -14.109 -7.352 182 HD12 ILE 22 HD12 ILE 22 -4.209 -14.098 -6.751 183 HD13 ILE 22 HD13 ILE 22 -5.572 -13.933 -5.624 184 H THR 23 H THR 23 -2.599 -9.443 -8.817 185 HA THR 23 HA THR 23 -2.259 -9.768 -11.749 186 HB THR 23 HB THR 23 -3.065 -7.604 -12.054 187 HG1 THR 23 HG1 THR 23 -3.627 -6.529 -9.898 188 HG21 THR 23 HG21 THR 23 -4.716 -8.583 -9.685 189 HG22 THR 23 HG22 THR 23 -5.225 -7.515 -11.008 190 HG23 THR 23 HG23 THR 23 -4.861 -9.217 -11.340 191 H ASN 24 H ASN 24 -0.275 -9.191 -9.115 192 HA ASN 24 HA ASN 24 1.773 -8.448 -8.757 193 HB2 ASN 24 HB2 ASN 24 2.225 -8.695 -11.746 194 HB3 ASN 24 HB3 ASN 24 3.481 -8.494 -10.518 195 HD21 ASN 24 HD21 ASN 24 1.982 -10.816 -12.358 196 HD22 ASN 24 HD22 ASN 24 2.323 -12.196 -11.310 197 H ALA 25 H ALA 25 -0.472 -6.445 -9.653 198 HA ALA 25 HA ALA 25 0.980 -4.037 -10.320 199 HB1 ALA 25 HB1 ALA 25 -1.106 -2.912 -9.675 200 HB2 ALA 25 HB2 ALA 25 -1.447 -4.322 -10.696 201 HB3 ALA 25 HB3 ALA 25 -1.712 -4.409 -8.939 202 H SER 26 H SER 26 1.461 -2.232 -8.937 203 HA SER 26 HA SER 26 1.511 -2.670 -6.025 204 HB2 SER 26 HB2 SER 26 3.842 -1.993 -5.777 205 HB3 SER 26 HB3 SER 26 3.682 -3.523 -6.638 206 HG SER 26 HG SER 26 4.096 -2.480 -8.562 207 H GLN 27 H GLN 27 1.598 -0.760 -4.783 208 HA GLN 27 HA GLN 27 1.699 1.883 -6.124 209 HB2 GLN 27 HB2 GLN 27 -0.714 0.844 -4.575 210 HB3 GLN 27 HB3 GLN 27 -0.378 2.561 -4.853 211 HG2 GLN 27 HG2 GLN 27 -0.530 2.305 -7.231 212 HG3 GLN 27 HG3 GLN 27 -0.827 0.558 -7.073 213 HE21 GLN 27 HE21 GLN 27 -2.456 2.512 -4.620 214 HE22 GLN 27 HE22 GLN 27 -4.005 2.541 -5.465 215 H PHE 28 H PHE 28 2.191 3.601 -4.809 216 HA PHE 28 HA PHE 28 3.027 3.029 -2.037 217 HB2 PHE 28 HB2 PHE 28 3.586 5.325 -3.885 218 HB3 PHE 28 HB3 PHE 28 3.866 5.433 -2.145 219 HD1 PHE 28 HD1 PHE 28 5.510 3.968 -0.987 220 HD2 PHE 28 HD2 PHE 28 5.091 3.993 -5.282 221 HE1 PHE 28 HE1 PHE 28 7.744 2.909 -1.215 222 HE2 PHE 28 HE2 PHE 28 7.322 2.921 -5.504 223 HZ PHE 28 HZ PHE 28 8.656 2.388 -3.472 224 H GLU 29 H GLU 29 0.286 4.228 -3.551 225 HA GLU 29 HA GLU 29 -0.828 5.337 -1.001 226 HB2 GLU 29 HB2 GLU 29 -0.742 6.972 -2.822 227 HB3 GLU 29 HB3 GLU 29 -1.613 5.859 -3.894 228 HG2 GLU 29 HG2 GLU 29 -3.607 5.992 -2.477 229 HG3 GLU 29 HG3 GLU 29 -2.736 6.964 -1.286 230 H ARG 30 H ARG 30 -2.928 4.505 -0.345 231 HA ARG 30 HA ARG 30 -3.012 1.731 -0.740 232 HB2 ARG 30 HB2 ARG 30 -4.846 1.583 0.693 233 HB3 ARG 30 HB3 ARG 30 -3.820 2.849 1.308 234 HG2 ARG 30 HG2 ARG 30 -5.380 4.485 1.025 235 HG3 ARG 30 HG3 ARG 30 -6.056 3.807 -0.462 236 HD2 ARG 30 HD2 ARG 30 -6.521 2.690 2.317 237 HD3 ARG 30 HD3 ARG 30 -7.646 3.730 1.432 238 HE ARG 30 HE ARG 30 -7.385 1.733 -0.377 239 HH11 ARG 30 HH11 ARG 30 -7.890 1.349 3.102 240 HH12 ARG 30 HH12 ARG 30 -8.667 -0.204 2.849 241 HH21 ARG 30 HH21 ARG 30 -8.499 -0.064 -0.558 242 HH22 ARG 30 HH22 ARG 30 -9.142 -0.891 0.867 243 HA PRO 31 HA PRO 31 -5.407 1.103 -4.379 244 HB2 PRO 31 HB2 PRO 31 -6.180 -1.492 -4.092 245 HB3 PRO 31 HB3 PRO 31 -4.467 -1.010 -4.348 246 HG2 PRO 31 HG2 PRO 31 -5.887 -1.595 -1.731 247 HG3 PRO 31 HG3 PRO 31 -4.323 -2.273 -2.298 248 HD2 PRO 31 HD2 PRO 31 -4.432 -0.163 -0.616 249 HD3 PRO 31 HD3 PRO 31 -3.215 -0.230 -1.932 250 H SER 32 H SER 32 -7.481 0.824 -5.242 251 HA SER 32 HA SER 32 -9.807 0.675 -3.364 252 HB2 SER 32 HB2 SER 32 -10.938 2.348 -4.745 253 HB3 SER 32 HB3 SER 32 -9.434 2.981 -4.054 254 HG SER 32 HG SER 32 -9.655 3.496 -6.277 255 H GLY 33 H GLY 33 -8.364 -0.751 -6.109 256 HA2 GLY 33 HA2 GLY 33 -10.096 -2.877 -6.403 257 HA3 GLY 33 HA3 GLY 33 -10.755 -1.664 -7.504 258 H1 GAL 101 H1 GAL 34 12.009 1.531 0.685 259 H2 GAL 101 H2 GAL 34 13.736 3.872 -0.279 260 H3 GAL 101 H3 GAL 34 10.912 3.104 -1.174 261 H4 GAL 101 H4 GAL 34 11.893 2.495 -3.346 262 H5 GAL 101 H5 GAL 34 11.730 0.717 -1.659 263 H61 GAL 101 H61 GAL 34 13.278 -0.910 -2.518 264 H62 GAL 101 H62 GAL 34 12.822 0.148 -3.871 265 HO2 GAL 101 H2O GAL 34 11.919 5.069 0.534 266 HO3 GAL 101 H3O GAL 34 12.689 4.900 -2.450 267 HO4 GAL 101 H4O GAL 34 14.372 2.325 -3.181 268 HO6 GAL 101 H6O GAL 34 15.181 0.304 -2.255 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 -11.453 -1.961 4.017 2 H2 LYS 1 H2 LYS 1 -11.567 -3.078 5.204 3 H3 LYS 1 H3 LYS 1 -11.743 -3.530 3.641 4 HA LYS 1 HA LYS 1 -9.291 -2.465 4.868 5 HB2 LYS 1 HB2 LYS 1 -9.697 -4.662 5.728 6 HB3 LYS 1 HB3 LYS 1 -9.995 -5.321 4.122 7 HG2 LYS 1 HG2 LYS 1 -7.655 -5.051 3.509 8 HG3 LYS 1 HG3 LYS 1 -7.307 -4.191 5.022 9 HD2 LYS 1 HD2 LYS 1 -7.645 -6.218 6.309 10 HD3 LYS 1 HD3 LYS 1 -8.388 -7.038 4.930 11 HE2 LYS 1 HE2 LYS 1 -6.157 -7.905 5.192 12 HE3 LYS 1 HE3 LYS 1 -6.256 -6.986 3.693 13 HZ1 LYS 1 HZ1 LYS 1 -5.187 -5.117 4.894 14 HZ2 LYS 1 HZ2 LYS 1 -5.022 -6.060 6.226 15 HZ3 LYS 1 HZ3 LYS 1 -4.240 -6.447 4.836 16 H LEU 2 H LEU 2 -9.564 -4.634 2.058 17 HA LEU 2 HA LEU 2 -8.463 -2.532 0.281 18 HB2 LEU 2 HB2 LEU 2 -7.184 -5.216 0.941 19 HB3 LEU 2 HB3 LEU 2 -6.662 -4.171 -0.383 20 HG LEU 2 HG LEU 2 -6.537 -3.317 2.535 21 HD11 LEU 2 HD11 LEU 2 -4.370 -4.425 0.722 22 HD12 LEU 2 HD12 LEU 2 -4.136 -3.793 2.368 23 HD13 LEU 2 HD13 LEU 2 -5.090 -5.269 2.110 24 HD21 LEU 2 HD21 LEU 2 -5.059 -1.586 1.750 25 HD22 LEU 2 HD22 LEU 2 -5.095 -2.233 0.099 26 HD23 LEU 2 HD23 LEU 2 -6.544 -1.479 0.803 27 HA PRO 3 HA PRO 3 -10.837 -4.693 -2.828 28 HB2 PRO 3 HB2 PRO 3 -8.817 -4.175 -4.919 29 HB3 PRO 3 HB3 PRO 3 -10.460 -3.496 -4.743 30 HG2 PRO 3 HG2 PRO 3 -8.196 -1.997 -4.339 31 HG3 PRO 3 HG3 PRO 3 -9.719 -1.724 -3.426 32 HD2 PRO 3 HD2 PRO 3 -7.282 -3.312 -2.592 33 HD3 PRO 3 HD3 PRO 3 -8.171 -2.058 -1.679 34 HA PRO 4 HA PRO 4 -9.498 -8.818 -3.298 35 HB2 PRO 4 HB2 PRO 4 -9.948 -9.615 -5.918 36 HB3 PRO 4 HB3 PRO 4 -11.201 -9.424 -4.652 37 HG2 PRO 4 HG2 PRO 4 -10.373 -7.427 -6.776 38 HG3 PRO 4 HG3 PRO 4 -12.030 -7.925 -6.293 39 HD2 PRO 4 HD2 PRO 4 -10.945 -5.650 -5.361 40 HD3 PRO 4 HD3 PRO 4 -11.903 -6.694 -4.264 41 H GLY 5 H GLY 5 -7.637 -9.849 -3.367 42 HA2 GLY 5 HA2 GLY 5 -5.576 -10.629 -4.081 43 HA3 GLY 5 HA3 GLY 5 -5.627 -9.532 -5.475 44 H TRP 6 H TRP 6 -6.152 -7.263 -3.312 45 HA TRP 6 HA TRP 6 -3.336 -6.540 -3.067 46 HB2 TRP 6 HB2 TRP 6 -5.870 -5.162 -2.207 47 HB3 TRP 6 HB3 TRP 6 -4.250 -4.499 -1.970 48 HD1 TRP 6 HD1 TRP 6 -6.845 -5.149 -4.645 49 HE1 TRP 6 HE1 TRP 6 -6.322 -3.738 -6.731 50 HE3 TRP 6 HE3 TRP 6 -2.109 -3.662 -3.420 51 HZ2 TRP 6 HZ2 TRP 6 -3.966 -2.577 -7.915 52 HZ3 TRP 6 HZ3 TRP 6 -0.720 -2.424 -5.080 53 HH2 TRP 6 HH2 TRP 6 -1.627 -1.887 -7.323 54 H GLU 7 H GLU 7 -2.061 -6.359 -1.316 55 HA GLU 7 HA GLU 7 -3.148 -6.469 1.402 56 HB2 GLU 7 HB2 GLU 7 -2.712 -8.857 0.778 57 HB3 GLU 7 HB3 GLU 7 -1.026 -8.451 0.481 58 HG2 GLU 7 HG2 GLU 7 -1.393 -9.568 2.652 59 HG3 GLU 7 HG3 GLU 7 -0.667 -7.984 2.841 60 H LYS 8 H LYS 8 -1.574 -5.734 3.015 61 HA LYS 8 HA LYS 8 0.251 -3.674 2.080 62 HB2 LYS 8 HB2 LYS 8 -0.339 -4.845 4.806 63 HB3 LYS 8 HB3 LYS 8 1.031 -3.752 4.549 64 HG2 LYS 8 HG2 LYS 8 -0.451 -2.031 3.597 65 HG3 LYS 8 HG3 LYS 8 -1.842 -3.114 3.803 66 HD2 LYS 8 HD2 LYS 8 -1.894 -1.552 5.610 67 HD3 LYS 8 HD3 LYS 8 -1.377 -3.099 6.299 68 HE2 LYS 8 HE2 LYS 8 1.010 -2.312 6.185 69 HE3 LYS 8 HE3 LYS 8 0.453 -0.783 5.497 70 HZ1 LYS 8 HZ1 LYS 8 -0.274 -1.799 8.194 71 HZ2 LYS 8 HZ2 LYS 8 0.803 -0.610 7.895 72 HZ3 LYS 8 HZ3 LYS 8 -0.777 -0.378 7.560 73 H ARG 9 H ARG 9 2.352 -3.506 2.109 74 HA ARG 9 HA ARG 9 4.122 -5.901 2.260 75 HB2 ARG 9 HB2 ARG 9 2.939 -5.133 -0.117 76 HB3 ARG 9 HB3 ARG 9 4.325 -4.073 -0.122 77 HG2 ARG 9 HG2 ARG 9 4.843 -6.049 -1.374 78 HG3 ARG 9 HG3 ARG 9 5.804 -6.132 0.119 79 HD2 ARG 9 HD2 ARG 9 4.255 -7.758 1.076 80 HD3 ARG 9 HD3 ARG 9 3.104 -7.496 -0.256 81 HE ARG 9 HE ARG 9 5.709 -8.396 -1.187 82 HH11 ARG 9 HH11 ARG 9 5.867 -10.374 -2.176 83 HH12 ARG 9 HH12 ARG 9 4.620 -11.567 -1.944 84 HH21 ARG 9 HH21 ARG 9 2.863 -11.152 -0.700 85 HH22 ARG 9 HH22 ARG 9 2.685 -9.613 0.103 86 H MET 10 H MET 10 6.478 -5.228 2.076 87 HA MET 10 HA MET 10 7.035 -2.424 2.743 88 HB2 MET 10 HB2 MET 10 6.258 -3.521 4.894 89 HB3 MET 10 HB3 MET 10 7.658 -4.592 4.781 90 HG2 MET 10 HG2 MET 10 9.131 -2.524 4.803 91 HG3 MET 10 HG3 MET 10 7.670 -1.560 5.005 92 HE1 MET 10 HE1 MET 10 8.993 -4.968 6.680 93 HE2 MET 10 HE2 MET 10 10.346 -3.816 6.599 94 HE3 MET 10 HE3 MET 10 9.658 -4.272 8.172 95 H PHE 11 H PHE 11 9.003 -1.781 2.258 96 HA PHE 11 HA PHE 11 10.913 -3.521 0.925 97 HB2 PHE 11 HB2 PHE 11 10.897 -0.578 1.609 98 HB3 PHE 11 HB3 PHE 11 12.218 -1.368 0.743 99 HD1 PHE 11 HD1 PHE 11 9.049 0.269 0.380 100 HD2 PHE 11 HD2 PHE 11 11.654 -2.629 -1.466 101 HE1 PHE 11 HE1 PHE 11 7.944 0.669 -1.785 102 HE2 PHE 11 HE2 PHE 11 10.522 -2.245 -3.644 103 HZ PHE 11 HZ PHE 11 8.672 -0.586 -3.814 104 H ALA 12 H ALA 12 13.229 -3.588 1.405 105 HA ALA 12 HA ALA 12 13.788 -4.527 4.021 106 HB1 ALA 12 HB1 ALA 12 15.682 -3.604 1.814 107 HB2 ALA 12 HB2 ALA 12 16.110 -4.640 3.193 108 HB3 ALA 12 HB3 ALA 12 14.969 -5.227 1.970 109 H ASN 13 H ASN 13 13.928 -1.252 2.809 110 HA ASN 13 HA ASN 13 15.554 -0.204 5.020 111 HB2 ASN 13 HB2 ASN 13 15.159 1.977 3.951 112 HB3 ASN 13 HB3 ASN 13 15.749 0.771 2.795 113 HD21 ASN 13 HD21 ASN 13 14.903 2.386 1.238 114 H GLY 14 H GLY 14 12.383 -1.272 4.968 115 HA2 GLY 14 HA2 GLY 14 10.848 -1.132 6.713 116 HA3 GLY 14 HA3 GLY 14 11.667 0.296 7.367 117 H THR 15 H THR 15 10.800 0.366 3.961 118 HA THR 15 HA THR 15 8.739 2.443 4.476 119 HB THR 15 HB THR 15 10.029 1.463 1.907 120 HG1 THR 15 HG1 THR 15 11.472 2.438 3.164 121 HG21 THR 15 HG21 THR 15 8.225 3.843 2.427 122 HG22 THR 15 HG22 THR 15 9.201 3.609 0.955 123 HG23 THR 15 HG23 THR 15 7.917 2.459 1.342 124 H VAL 16 H VAL 16 6.596 2.033 4.326 125 HA VAL 16 HA VAL 16 5.684 -0.676 3.508 126 HB VAL 16 HB VAL 16 4.388 1.609 5.034 127 HG11 VAL 16 HG11 VAL 16 2.486 0.100 5.487 128 HG12 VAL 16 HG12 VAL 16 2.563 0.545 3.788 129 HG13 VAL 16 HG13 VAL 16 3.120 -1.066 4.304 130 HG21 VAL 16 HG21 VAL 16 5.133 -1.239 5.840 131 HG22 VAL 16 HG22 VAL 16 6.029 0.229 6.294 132 HG23 VAL 16 HG23 VAL 16 4.379 -0.023 6.887 133 H TYR 17 H TYR 17 4.207 -1.070 1.955 134 HA TYR 17 HA TYR 17 2.916 1.028 0.357 135 HB2 TYR 17 HB2 TYR 17 3.896 0.386 -1.735 136 HB3 TYR 17 HB3 TYR 17 5.192 0.803 -0.656 137 HD1 TYR 17 HD1 TYR 17 6.594 -1.063 0.405 138 HD2 TYR 17 HD2 TYR 17 3.821 -1.733 -2.835 139 HE1 TYR 17 HE1 TYR 17 7.838 -3.118 -0.245 140 HE2 TYR 17 HE2 TYR 17 5.033 -3.823 -3.439 141 HH TYR 17 HH TYR 17 8.035 -4.802 -1.764 142 H TYR 18 H TYR 18 1.772 -0.343 -1.572 143 HA TYR 18 HA TYR 18 0.451 -2.722 -0.329 144 HB2 TYR 18 HB2 TYR 18 -0.735 -0.601 -2.145 145 HB3 TYR 18 HB3 TYR 18 -1.564 -2.048 -1.551 146 HD1 TYR 18 HD1 TYR 18 -0.295 1.295 -0.664 147 HD2 TYR 18 HD2 TYR 18 -2.248 -2.258 0.820 148 HE1 TYR 18 HE1 TYR 18 -0.957 2.521 1.404 149 HE2 TYR 18 HE2 TYR 18 -2.927 -1.022 2.872 150 HH TYR 18 HH TYR 18 -2.894 0.968 3.981 151 H PHE 19 H PHE 19 0.151 -4.534 -1.525 152 HA PHE 19 HA PHE 19 1.107 -4.571 -4.351 153 HB2 PHE 19 HB2 PHE 19 3.020 -5.101 -3.023 154 HB3 PHE 19 HB3 PHE 19 2.109 -6.299 -2.091 155 HD1 PHE 19 HD1 PHE 19 3.211 -5.438 -5.522 156 HD2 PHE 19 HD2 PHE 19 1.992 -8.617 -2.874 157 HE1 PHE 19 HE1 PHE 19 3.742 -7.067 -7.268 158 HE2 PHE 19 HE2 PHE 19 2.614 -10.280 -4.606 159 HZ PHE 19 HZ PHE 19 3.480 -9.528 -6.814 160 H ASN 20 H ASN 20 0.043 -5.823 -5.749 161 HA ASN 20 HA ASN 20 -2.226 -7.435 -4.712 162 HB2 ASN 20 HB2 ASN 20 -2.571 -5.603 -6.413 163 HB3 ASN 20 HB3 ASN 20 -1.674 -6.597 -7.572 164 HD21 ASN 20 HD21 ASN 20 -4.735 -5.792 -6.776 165 HD22 ASN 20 HD22 ASN 20 -5.550 -7.299 -7.154 166 H HIS 21 H HIS 21 -1.872 -9.551 -4.428 167 HA HIS 21 HA HIS 21 0.463 -10.860 -5.562 168 HB2 HIS 21 HB2 HIS 21 0.074 -12.521 -4.069 169 HB3 HIS 21 HB3 HIS 21 -0.745 -11.195 -3.249 170 HD2 HIS 21 HD2 HIS 21 -3.368 -11.464 -2.833 171 HE1 HIS 21 HE1 HIS 21 -3.865 -15.319 -4.579 172 HE2 HIS 21 HE2 HIS 21 -4.980 -13.519 -3.165 173 H ILE 22 H ILE 22 -2.827 -10.575 -6.648 174 HA ILE 22 HA ILE 22 -2.833 -12.982 -8.320 175 HB ILE 22 HB ILE 22 -4.765 -10.618 -8.179 176 HG12 ILE 22 HG12 ILE 22 -4.778 -13.305 -6.713 177 HG13 ILE 22 HG13 ILE 22 -4.599 -11.701 -5.990 178 HG21 ILE 22 HG21 ILE 22 -4.967 -11.916 -10.279 179 HG22 ILE 22 HG22 ILE 22 -5.142 -13.414 -9.336 180 HG23 ILE 22 HG23 ILE 22 -6.375 -12.132 -9.263 181 HD11 ILE 22 HD11 ILE 22 -7.113 -12.861 -7.226 182 HD12 ILE 22 HD12 ILE 22 -6.812 -12.411 -5.542 183 HD13 ILE 22 HD13 ILE 22 -6.930 -11.144 -6.781 184 H THR 23 H THR 23 -2.498 -9.480 -8.751 185 HA THR 23 HA THR 23 -2.063 -9.799 -11.670 186 HB THR 23 HB THR 23 -2.857 -7.629 -11.985 187 HG1 THR 23 HG1 THR 23 -3.489 -6.578 -9.837 188 HG21 THR 23 HG21 THR 23 -5.050 -7.561 -11.011 189 HG22 THR 23 HG22 THR 23 -4.667 -9.262 -11.329 190 HG23 THR 23 HG23 THR 23 -4.576 -8.623 -9.672 191 H ASN 24 H ASN 24 -0.152 -9.255 -8.984 192 HA ASN 24 HA ASN 24 1.885 -8.515 -8.559 193 HB2 ASN 24 HB2 ASN 24 2.426 -8.749 -11.536 194 HB3 ASN 24 HB3 ASN 24 3.644 -8.570 -10.265 195 HD21 ASN 24 HD21 ASN 24 2.126 -10.861 -12.158 196 HD22 ASN 24 HD22 ASN 24 2.445 -12.255 -11.121 197 H ALA 25 H ALA 25 -0.327 -6.511 -9.516 198 HA ALA 25 HA ALA 25 1.144 -4.109 -10.160 199 HB1 ALA 25 HB1 ALA 25 -1.271 -4.400 -10.609 200 HB2 ALA 25 HB2 ALA 25 -1.590 -4.471 -8.861 201 HB3 ALA 25 HB3 ALA 25 -0.961 -2.981 -9.592 202 H SER 26 H SER 26 1.587 -2.301 -8.783 203 HA SER 26 HA SER 26 1.568 -2.717 -5.866 204 HB2 SER 26 HB2 SER 26 3.884 -2.012 -5.577 205 HB3 SER 26 HB3 SER 26 3.760 -3.547 -6.435 206 HG SER 26 HG SER 26 4.207 -2.508 -8.352 207 H GLN 27 H GLN 27 1.603 -0.782 -4.641 208 HA GLN 27 HA GLN 27 1.850 1.831 -5.953 209 HB2 GLN 27 HB2 GLN 27 -0.789 0.603 -5.408 210 HB3 GLN 27 HB3 GLN 27 -0.588 2.131 -4.577 211 HG2 GLN 27 HG2 GLN 27 -0.221 1.751 -7.559 212 HG3 GLN 27 HG3 GLN 27 -1.652 2.395 -6.759 213 HE21 GLN 27 HE21 GLN 27 -0.508 3.967 -8.693 214 HE22 GLN 27 HE22 GLN 27 0.304 5.333 -7.916 215 H PHE 28 H PHE 28 2.090 3.559 -4.564 216 HA PHE 28 HA PHE 28 2.757 2.943 -1.752 217 HB2 PHE 28 HB2 PHE 28 3.200 5.382 -3.471 218 HB3 PHE 28 HB3 PHE 28 3.450 5.372 -1.722 219 HD1 PHE 28 HD1 PHE 28 4.827 4.328 -4.943 220 HD2 PHE 28 HD2 PHE 28 5.187 3.911 -0.662 221 HE1 PHE 28 HE1 PHE 28 7.132 3.442 -5.221 222 HE2 PHE 28 HE2 PHE 28 7.494 3.038 -0.948 223 HZ PHE 28 HZ PHE 28 8.471 2.804 -3.224 224 H GLU 29 H GLU 29 0.252 4.550 -3.566 225 HA GLU 29 HA GLU 29 -1.162 5.535 -1.163 226 HB2 GLU 29 HB2 GLU 29 -1.285 6.942 -3.086 227 HB3 GLU 29 HB3 GLU 29 -1.650 5.588 -4.147 228 HG2 GLU 29 HG2 GLU 29 -3.557 7.035 -3.896 229 HG3 GLU 29 HG3 GLU 29 -3.898 5.418 -3.321 230 H ARG 30 H ARG 30 -3.239 4.688 -0.470 231 HA ARG 30 HA ARG 30 -3.303 1.826 -0.609 232 HB2 ARG 30 HB2 ARG 30 -5.225 1.814 0.784 233 HB3 ARG 30 HB3 ARG 30 -4.006 2.907 1.372 234 HG2 ARG 30 HG2 ARG 30 -6.051 3.908 1.836 235 HG3 ARG 30 HG3 ARG 30 -5.321 4.858 0.542 236 HD2 ARG 30 HD2 ARG 30 -7.855 4.431 0.472 237 HD3 ARG 30 HD3 ARG 30 -6.955 4.220 -1.009 238 HE ARG 30 HE ARG 30 -7.623 2.022 -1.089 239 HH11 ARG 30 HH11 ARG 30 -7.909 2.860 2.324 240 HH12 ARG 30 HH12 ARG 30 -8.478 1.253 2.713 241 HH21 ARG 30 HH21 ARG 30 -8.391 0.140 -0.530 242 HH22 ARG 30 HH22 ARG 30 -8.709 -0.262 1.163 243 HA PRO 31 HA PRO 31 -5.317 1.302 -4.445 244 HB2 PRO 31 HB2 PRO 31 -5.928 -1.359 -4.399 245 HB3 PRO 31 HB3 PRO 31 -4.244 -0.741 -4.465 246 HG2 PRO 31 HG2 PRO 31 -5.819 -1.596 -2.014 247 HG3 PRO 31 HG3 PRO 31 -4.169 -2.115 -2.490 248 HD2 PRO 31 HD2 PRO 31 -4.534 -0.126 -0.705 249 HD3 PRO 31 HD3 PRO 31 -3.248 -0.022 -1.949 250 H SER 32 H SER 32 -7.288 0.991 -5.515 251 HA SER 32 HA SER 32 -9.763 0.855 -3.843 252 HB2 SER 32 HB2 SER 32 -10.651 2.724 -5.153 253 HB3 SER 32 HB3 SER 32 -9.165 3.168 -4.298 254 HG SER 32 HG SER 32 -9.157 3.882 -6.474 255 H GLY 33 H GLY 33 -8.251 -0.689 -6.394 256 HA2 GLY 33 HA2 GLY 33 -10.388 -2.393 -7.006 257 HA3 GLY 33 HA3 GLY 33 -10.402 -1.147 -8.254 258 H1 GAL 101 H1 GAL 34 12.023 1.823 0.671 259 H2 GAL 101 H2 GAL 34 13.727 4.143 -0.387 260 H3 GAL 101 H3 GAL 34 10.792 3.400 -0.839 261 H4 GAL 101 H4 GAL 34 11.419 2.868 -3.137 262 H5 GAL 101 H5 GAL 34 11.636 0.988 -1.617 263 H61 GAL 101 H61 GAL 34 12.428 0.352 -3.806 264 H62 GAL 101 H62 GAL 34 14.005 1.126 -3.533 265 HO2 GAL 101 H2O GAL 34 11.703 4.018 1.635 266 HO3 GAL 101 H3O GAL 34 11.429 5.696 -0.880 267 HO4 GAL 101 H4O GAL 34 13.161 4.464 -3.103 268 HO6 GAL 101 H6O GAL 34 14.112 -0.331 -1.629 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 -11.142 -5.308 3.502 2 H2 LYS 1 H2 LYS 1 -11.953 -3.884 3.543 3 H3 LYS 1 H3 LYS 1 -11.635 -4.685 4.929 4 HA LYS 1 HA LYS 1 -10.187 -2.809 4.740 5 HB2 LYS 1 HB2 LYS 1 -9.406 -4.968 5.831 6 HB3 LYS 1 HB3 LYS 1 -8.561 -5.350 4.332 7 HG2 LYS 1 HG2 LYS 1 -7.346 -3.076 4.613 8 HG3 LYS 1 HG3 LYS 1 -8.131 -2.967 6.184 9 HD2 LYS 1 HD2 LYS 1 -5.961 -3.800 6.610 10 HD3 LYS 1 HD3 LYS 1 -7.035 -5.195 6.785 11 HE2 LYS 1 HE2 LYS 1 -6.427 -5.911 4.453 12 HE3 LYS 1 HE3 LYS 1 -5.370 -4.497 4.317 13 HZ1 LYS 1 HZ1 LYS 1 -4.090 -5.402 6.212 14 HZ2 LYS 1 HZ2 LYS 1 -5.015 -6.752 6.210 15 HZ3 LYS 1 HZ3 LYS 1 -4.062 -6.403 4.924 16 H LEU 2 H LEU 2 -9.134 -5.131 2.184 17 HA LEU 2 HA LEU 2 -8.532 -2.829 0.391 18 HB2 LEU 2 HB2 LEU 2 -6.951 -5.386 0.837 19 HB3 LEU 2 HB3 LEU 2 -6.594 -4.184 -0.411 20 HG LEU 2 HG LEU 2 -6.529 -3.523 2.549 21 HD11 LEU 2 HD11 LEU 2 -4.081 -3.704 2.352 22 HD12 LEU 2 HD12 LEU 2 -4.878 -5.259 2.048 23 HD13 LEU 2 HD13 LEU 2 -4.260 -4.298 0.685 24 HD21 LEU 2 HD21 LEU 2 -5.228 -1.595 1.835 25 HD22 LEU 2 HD22 LEU 2 -5.265 -2.154 0.151 26 HD23 LEU 2 HD23 LEU 2 -6.753 -1.591 0.947 27 HA PRO 3 HA PRO 3 -10.875 -4.958 -2.703 28 HB2 PRO 3 HB2 PRO 3 -8.971 -4.229 -4.860 29 HB3 PRO 3 HB3 PRO 3 -10.657 -3.697 -4.608 30 HG2 PRO 3 HG2 PRO 3 -8.517 -2.033 -4.202 31 HG3 PRO 3 HG3 PRO 3 -10.003 -1.941 -3.195 32 HD2 PRO 3 HD2 PRO 3 -7.401 -3.372 -2.597 33 HD3 PRO 3 HD3 PRO 3 -8.330 -2.254 -1.558 34 HA PRO 4 HA PRO 4 -9.643 -8.995 -3.700 35 HB2 PRO 4 HB2 PRO 4 -9.882 -8.498 -6.677 36 HB3 PRO 4 HB3 PRO 4 -10.498 -9.878 -5.707 37 HG2 PRO 4 HG2 PRO 4 -12.178 -7.879 -6.386 38 HG3 PRO 4 HG3 PRO 4 -12.190 -8.500 -4.700 39 HD2 PRO 4 HD2 PRO 4 -10.832 -6.018 -5.783 40 HD3 PRO 4 HD3 PRO 4 -11.807 -6.216 -4.292 41 H GLY 5 H GLY 5 -7.756 -9.924 -3.480 42 HA2 GLY 5 HA2 GLY 5 -5.643 -10.717 -3.897 43 HA3 GLY 5 HA3 GLY 5 -5.590 -9.801 -5.412 44 H TRP 6 H TRP 6 -6.252 -7.381 -3.277 45 HA TRP 6 HA TRP 6 -3.454 -6.558 -3.088 46 HB2 TRP 6 HB2 TRP 6 -6.029 -5.266 -2.222 47 HB3 TRP 6 HB3 TRP 6 -4.435 -4.563 -1.933 48 HD1 TRP 6 HD1 TRP 6 -6.974 -5.155 -4.666 49 HE1 TRP 6 HE1 TRP 6 -6.383 -3.759 -6.739 50 HE3 TRP 6 HE3 TRP 6 -2.264 -3.718 -3.309 51 HZ2 TRP 6 HZ2 TRP 6 -3.979 -2.613 -7.856 52 HZ3 TRP 6 HZ3 TRP 6 -0.803 -2.522 -4.938 53 HH2 TRP 6 HH2 TRP 6 -1.644 -1.968 -7.206 54 H GLU 7 H GLU 7 -2.145 -6.345 -1.369 55 HA GLU 7 HA GLU 7 -3.159 -6.514 1.371 56 HB2 GLU 7 HB2 GLU 7 -2.677 -8.887 0.683 57 HB3 GLU 7 HB3 GLU 7 -1.006 -8.430 0.389 58 HG2 GLU 7 HG2 GLU 7 -1.348 -9.595 2.547 59 HG3 GLU 7 HG3 GLU 7 -0.639 -8.005 2.748 60 H LYS 8 H LYS 8 -1.573 -5.745 2.955 61 HA LYS 8 HA LYS 8 0.242 -3.684 1.944 62 HB2 LYS 8 HB2 LYS 8 -0.404 -4.713 4.714 63 HB3 LYS 8 HB3 LYS 8 0.976 -3.638 4.429 64 HG2 LYS 8 HG2 LYS 8 -0.469 -1.954 3.381 65 HG3 LYS 8 HG3 LYS 8 -1.872 -3.024 3.568 66 HD2 LYS 8 HD2 LYS 8 -1.980 -1.383 5.307 67 HD3 LYS 8 HD3 LYS 8 -1.538 -2.918 6.071 68 HE2 LYS 8 HE2 LYS 8 0.869 -2.188 6.068 69 HE3 LYS 8 HE3 LYS 8 0.387 -0.671 5.302 70 HZ1 LYS 8 HZ1 LYS 8 -0.513 -1.581 7.984 71 HZ2 LYS 8 HZ2 LYS 8 0.603 -0.424 7.708 72 HZ3 LYS 8 HZ3 LYS 8 -0.950 -0.174 7.275 73 H ARG 9 H ARG 9 2.356 -3.529 1.995 74 HA ARG 9 HA ARG 9 4.097 -5.921 2.345 75 HB2 ARG 9 HB2 ARG 9 3.060 -5.667 -0.028 76 HB3 ARG 9 HB3 ARG 9 4.032 -4.215 -0.184 77 HG2 ARG 9 HG2 ARG 9 5.121 -6.007 -1.312 78 HG3 ARG 9 HG3 ARG 9 6.097 -5.648 0.124 79 HD2 ARG 9 HD2 ARG 9 5.032 -7.591 1.285 80 HD3 ARG 9 HD3 ARG 9 4.094 -7.940 -0.179 81 HE ARG 9 HE ARG 9 6.916 -8.516 0.339 82 HH11 ARG 9 HH11 ARG 9 7.511 -9.889 -2.747 83 HH12 ARG 9 HH12 ARG 9 8.098 -9.676 -1.121 84 HH21 ARG 9 HH21 ARG 9 4.627 -8.103 -2.295 85 HH22 ARG 9 HH22 ARG 9 5.607 -9.031 -3.395 86 H MET 10 H MET 10 6.480 -5.249 2.133 87 HA MET 10 HA MET 10 7.022 -2.422 2.747 88 HB2 MET 10 HB2 MET 10 6.222 -3.478 4.903 89 HB3 MET 10 HB3 MET 10 7.594 -4.586 4.809 90 HG2 MET 10 HG2 MET 10 9.124 -2.564 4.836 91 HG3 MET 10 HG3 MET 10 7.691 -1.555 5.018 92 HE1 MET 10 HE1 MET 10 9.558 -4.314 8.219 93 HE2 MET 10 HE2 MET 10 8.884 -4.996 6.725 94 HE3 MET 10 HE3 MET 10 10.276 -3.891 6.650 95 H PHE 11 H PHE 11 8.987 -1.793 2.275 96 HA PHE 11 HA PHE 11 10.879 -3.534 0.932 97 HB2 PHE 11 HB2 PHE 11 10.831 -0.599 1.623 98 HB3 PHE 11 HB3 PHE 11 12.186 -1.361 0.777 99 HD1 PHE 11 HD1 PHE 11 11.592 -2.711 -1.418 100 HD2 PHE 11 HD2 PHE 11 9.093 0.325 0.356 101 HE1 PHE 11 HE1 PHE 11 10.477 -2.337 -3.608 102 HE2 PHE 11 HE2 PHE 11 7.989 0.695 -1.824 103 HZ PHE 11 HZ PHE 11 8.679 -0.628 -3.818 104 H ALA 12 H ALA 12 13.203 -3.613 1.385 105 HA ALA 12 HA ALA 12 13.793 -4.544 4.004 106 HB1 ALA 12 HB1 ALA 12 14.943 -5.268 1.944 107 HB2 ALA 12 HB2 ALA 12 15.658 -3.647 1.761 108 HB3 ALA 12 HB3 ALA 12 16.103 -4.669 3.145 109 H ASN 13 H ASN 13 13.917 -1.292 2.746 110 HA ASN 13 HA ASN 13 15.555 -0.184 4.916 111 HB2 ASN 13 HB2 ASN 13 15.052 1.982 3.828 112 HB3 ASN 13 HB3 ASN 13 15.704 0.782 2.701 113 HD21 ASN 13 HD21 ASN 13 14.821 2.226 1.055 114 H GLY 14 H GLY 14 12.378 -1.282 4.894 115 HA2 GLY 14 HA2 GLY 14 10.900 -1.202 6.687 116 HA3 GLY 14 HA3 GLY 14 11.716 0.224 7.346 117 H THR 15 H THR 15 10.837 0.515 3.978 118 HA THR 15 HA THR 15 8.663 2.435 4.658 119 HB THR 15 HB THR 15 10.185 1.741 2.115 120 HG1 THR 15 HG1 THR 15 10.946 3.785 2.380 121 HG21 THR 15 HG21 THR 15 9.058 3.711 1.076 122 HG22 THR 15 HG22 THR 15 7.969 2.346 1.329 123 HG23 THR 15 HG23 THR 15 7.914 3.740 2.437 124 H VAL 16 H VAL 16 6.559 1.984 4.387 125 HA VAL 16 HA VAL 16 5.724 -0.726 3.499 126 HB VAL 16 HB VAL 16 4.393 1.513 5.064 127 HG11 VAL 16 HG11 VAL 16 2.574 0.519 3.757 128 HG12 VAL 16 HG12 VAL 16 3.099 -1.117 4.230 129 HG13 VAL 16 HG13 VAL 16 2.469 0.023 5.441 130 HG21 VAL 16 HG21 VAL 16 4.331 -0.173 6.862 131 HG22 VAL 16 HG22 VAL 16 5.080 -1.369 5.789 132 HG23 VAL 16 HG23 VAL 16 5.995 0.069 6.302 133 H TYR 17 H TYR 17 4.231 -1.099 1.928 134 HA TYR 17 HA TYR 17 2.969 1.047 0.371 135 HB2 TYR 17 HB2 TYR 17 3.920 0.400 -1.740 136 HB3 TYR 17 HB3 TYR 17 5.221 0.812 -0.662 137 HD1 TYR 17 HD1 TYR 17 6.615 -1.064 0.399 138 HD2 TYR 17 HD2 TYR 17 3.843 -1.717 -2.844 139 HE1 TYR 17 HE1 TYR 17 7.885 -3.090 -0.286 140 HE2 TYR 17 HE2 TYR 17 5.086 -3.775 -3.489 141 HH TYR 17 HH TYR 17 8.134 -4.705 -1.873 142 H TYR 18 H TYR 18 1.762 -0.198 -1.556 143 HA TYR 18 HA TYR 18 0.370 -2.565 -0.376 144 HB2 TYR 18 HB2 TYR 18 -0.697 -0.387 -2.194 145 HB3 TYR 18 HB3 TYR 18 -1.580 -1.833 -1.684 146 HD1 TYR 18 HD1 TYR 18 -2.399 -2.096 0.627 147 HD2 TYR 18 HD2 TYR 18 -0.220 1.423 -0.599 148 HE1 TYR 18 HE1 TYR 18 -3.096 -0.923 2.717 149 HE2 TYR 18 HE2 TYR 18 -0.902 2.580 1.497 150 HH TYR 18 HH TYR 18 -2.061 2.412 3.454 151 H PHE 19 H PHE 19 0.081 -4.394 -1.552 152 HA PHE 19 HA PHE 19 1.054 -4.464 -4.367 153 HB2 PHE 19 HB2 PHE 19 2.984 -4.931 -3.027 154 HB3 PHE 19 HB3 PHE 19 2.099 -6.140 -2.087 155 HD1 PHE 19 HD1 PHE 19 3.222 -5.289 -5.511 156 HD2 PHE 19 HD2 PHE 19 1.986 -8.452 -2.857 157 HE1 PHE 19 HE1 PHE 19 3.774 -6.927 -7.244 158 HE2 PHE 19 HE2 PHE 19 2.623 -10.128 -4.577 159 HZ PHE 19 HZ PHE 19 3.515 -9.387 -6.780 160 H ASN 20 H ASN 20 0.062 -5.831 -5.733 161 HA ASN 20 HA ASN 20 -2.198 -7.427 -4.635 162 HB2 ASN 20 HB2 ASN 20 -2.572 -5.605 -6.349 163 HB3 ASN 20 HB3 ASN 20 -1.709 -6.620 -7.514 164 HD21 ASN 20 HD21 ASN 20 -4.742 -5.787 -6.651 165 HD22 ASN 20 HD22 ASN 20 -5.580 -7.302 -6.930 166 H HIS 21 H HIS 21 -1.838 -9.552 -4.346 167 HA HIS 21 HA HIS 21 0.498 -10.831 -5.540 168 HB2 HIS 21 HB2 HIS 21 0.255 -12.441 -3.988 169 HB3 HIS 21 HB3 HIS 21 -0.601 -11.142 -3.160 170 HD2 HIS 21 HD2 HIS 21 -3.347 -11.421 -2.990 171 HE1 HIS 21 HE1 HIS 21 -3.425 -15.551 -4.035 172 HE2 HIS 21 HE2 HIS 21 -4.767 -13.635 -3.034 173 H ILE 22 H ILE 22 -2.788 -10.570 -6.542 174 HA ILE 22 HA ILE 22 -2.843 -12.993 -8.209 175 HB ILE 22 HB ILE 22 -4.717 -10.599 -8.013 176 HG12 ILE 22 HG12 ILE 22 -4.532 -11.852 -5.853 177 HG13 ILE 22 HG13 ILE 22 -6.139 -11.854 -6.558 178 HG21 ILE 22 HG21 ILE 22 -5.107 -11.654 -10.115 179 HG22 ILE 22 HG22 ILE 22 -5.095 -13.273 -9.390 180 HG23 ILE 22 HG23 ILE 22 -6.412 -12.131 -9.028 181 HD11 ILE 22 HD11 ILE 22 -5.822 -14.178 -7.335 182 HD12 ILE 22 HD12 ILE 22 -4.166 -14.171 -6.675 183 HD13 ILE 22 HD13 ILE 22 -5.568 -14.021 -5.594 184 H THR 23 H THR 23 -2.471 -9.491 -8.628 185 HA THR 23 HA THR 23 -2.063 -9.807 -11.553 186 HB THR 23 HB THR 23 -2.919 -7.669 -11.879 187 HG1 THR 23 HG1 THR 23 -3.535 -6.571 -9.766 188 HG21 THR 23 HG21 THR 23 -4.691 -9.316 -11.164 189 HG22 THR 23 HG22 THR 23 -4.578 -8.646 -9.518 190 HG23 THR 23 HG23 THR 23 -5.092 -7.616 -10.866 191 H ASN 24 H ASN 24 -0.131 -9.284 -8.922 192 HA ASN 24 HA ASN 24 1.782 -8.368 -8.413 193 HB2 ASN 24 HB2 ASN 24 3.682 -8.601 -9.823 194 HB3 ASN 24 HB3 ASN 24 2.635 -10.018 -9.955 195 HD21 ASN 24 HD21 ASN 24 3.375 -6.917 -11.600 196 HD22 ASN 24 HD22 ASN 24 3.166 -7.580 -13.229 197 H ALA 25 H ALA 25 -0.363 -6.465 -9.408 198 HA ALA 25 HA ALA 25 1.088 -4.058 -10.136 199 HB1 ALA 25 HB1 ALA 25 -1.030 -2.943 -9.580 200 HB2 ALA 25 HB2 ALA 25 -1.322 -4.377 -10.582 201 HB3 ALA 25 HB3 ALA 25 -1.642 -4.433 -8.834 202 H SER 26 H SER 26 1.532 -2.227 -8.778 203 HA SER 26 HA SER 26 1.519 -2.619 -5.853 204 HB2 SER 26 HB2 SER 26 3.833 -1.911 -5.597 205 HB3 SER 26 HB3 SER 26 3.707 -3.426 -6.493 206 HG SER 26 HG SER 26 5.183 -2.003 -7.472 207 H GLN 27 H GLN 27 1.532 -0.696 -4.629 208 HA GLN 27 HA GLN 27 1.680 1.935 -5.978 209 HB2 GLN 27 HB2 GLN 27 -0.805 0.933 -4.524 210 HB3 GLN 27 HB3 GLN 27 -0.425 2.645 -4.786 211 HG2 GLN 27 HG2 GLN 27 -0.477 2.381 -7.172 212 HG3 GLN 27 HG3 GLN 27 -0.874 0.653 -7.010 213 HE21 GLN 27 HE21 GLN 27 -2.485 2.621 -4.592 214 HE22 GLN 27 HE22 GLN 27 -3.996 2.778 -5.491 215 H PHE 28 H PHE 28 2.274 3.614 -4.690 216 HA PHE 28 HA PHE 28 3.006 3.085 -1.902 217 HB2 PHE 28 HB2 PHE 28 3.453 5.425 -3.733 218 HB3 PHE 28 HB3 PHE 28 3.734 5.530 -1.992 219 HD1 PHE 28 HD1 PHE 28 5.438 4.118 -0.854 220 HD2 PHE 28 HD2 PHE 28 5.030 4.204 -5.148 221 HE1 PHE 28 HE1 PHE 28 7.722 3.171 -1.094 222 HE2 PHE 28 HE2 PHE 28 7.310 3.243 -5.383 223 HZ PHE 28 HZ PHE 28 8.662 2.735 -3.357 224 H GLU 29 H GLU 29 0.245 4.266 -3.442 225 HA GLU 29 HA GLU 29 -0.928 5.259 -0.878 226 HB2 GLU 29 HB2 GLU 29 -0.936 7.055 -2.436 227 HB3 GLU 29 HB3 GLU 29 -1.404 6.005 -3.764 228 HG2 GLU 29 HG2 GLU 29 -3.198 7.492 -3.194 229 HG3 GLU 29 HG3 GLU 29 -3.668 5.822 -2.949 230 H ARG 30 H ARG 30 -3.101 4.513 -0.368 231 HA ARG 30 HA ARG 30 -3.234 1.727 -0.777 232 HB2 ARG 30 HB2 ARG 30 -5.161 1.626 0.535 233 HB3 ARG 30 HB3 ARG 30 -4.133 2.851 1.226 234 HG2 ARG 30 HG2 ARG 30 -5.621 4.536 0.882 235 HG3 ARG 30 HG3 ARG 30 -6.208 3.916 -0.667 236 HD2 ARG 30 HD2 ARG 30 -6.918 2.763 2.043 237 HD3 ARG 30 HD3 ARG 30 -7.940 3.850 1.094 238 HE ARG 30 HE ARG 30 -7.631 1.893 -0.731 239 HH11 ARG 30 HH11 ARG 30 -8.277 1.386 2.708 240 HH12 ARG 30 HH12 ARG 30 -9.044 -0.155 2.367 241 HH21 ARG 30 HH21 ARG 30 -8.745 0.112 -1.024 242 HH22 ARG 30 HH22 ARG 30 -9.461 -0.756 0.339 243 HA PRO 31 HA PRO 31 -5.384 1.189 -4.583 244 HB2 PRO 31 HB2 PRO 31 -6.277 -1.377 -4.346 245 HB3 PRO 31 HB3 PRO 31 -4.536 -0.959 -4.496 246 HG2 PRO 31 HG2 PRO 31 -6.131 -1.479 -1.960 247 HG3 PRO 31 HG3 PRO 31 -4.566 -2.219 -2.439 248 HD2 PRO 31 HD2 PRO 31 -4.654 -0.102 -0.779 249 HD3 PRO 31 HD3 PRO 31 -3.395 -0.219 -2.050 250 H SER 32 H SER 32 -7.409 0.934 -5.594 251 HA SER 32 HA SER 32 -9.858 0.913 -3.880 252 HB2 SER 32 HB2 SER 32 -10.804 2.670 -5.293 253 HB3 SER 32 HB3 SER 32 -9.319 3.207 -4.493 254 HG SER 32 HG SER 32 -9.363 3.777 -6.712 255 H GLY 33 H GLY 33 -8.313 -0.665 -6.422 256 HA2 GLY 33 HA2 GLY 33 -10.272 -2.575 -6.893 257 HA3 GLY 33 HA3 GLY 33 -10.547 -1.352 -8.135 258 H1 GAL 101 H1 GAL 34 11.972 1.524 0.503 259 H2 GAL 101 H2 GAL 34 13.475 4.009 -0.484 260 H3 GAL 101 H3 GAL 34 10.611 3.030 -0.951 261 H4 GAL 101 H4 GAL 34 11.274 2.633 -3.272 262 H5 GAL 101 H5 GAL 34 11.642 0.737 -1.809 263 H61 GAL 101 H61 GAL 34 12.475 0.285 -4.046 264 H62 GAL 101 H62 GAL 34 14.021 1.084 -3.683 265 HO2 GAL 101 H2O GAL 34 12.774 4.458 1.547 266 HO3 GAL 101 H3O GAL 34 11.014 5.358 -0.916 267 HO4 GAL 101 H4O GAL 34 12.881 4.362 -3.189 268 HO6 GAL 101 H6O GAL 34 14.144 -0.479 -1.877 Start of MODEL 11 1 H1 LYS 1 H1 LYS 1 -12.237 -3.712 3.361 2 H2 LYS 1 H2 LYS 1 -12.207 -4.708 4.655 3 H3 LYS 1 H3 LYS 1 -11.668 -5.243 3.206 4 HA LYS 1 HA LYS 1 -10.463 -3.093 4.814 5 HB2 LYS 1 HB2 LYS 1 -10.104 -5.220 5.900 6 HB3 LYS 1 HB3 LYS 1 -9.529 -5.955 4.411 7 HG2 LYS 1 HG2 LYS 1 -7.705 -5.479 5.939 8 HG3 LYS 1 HG3 LYS 1 -7.507 -4.571 4.447 9 HD2 LYS 1 HD2 LYS 1 -8.358 -2.518 5.563 10 HD3 LYS 1 HD3 LYS 1 -8.600 -3.422 7.064 11 HE2 LYS 1 HE2 LYS 1 -5.919 -3.033 5.649 12 HE3 LYS 1 HE3 LYS 1 -6.505 -2.036 6.986 13 HZ1 LYS 1 HZ1 LYS 1 -5.046 -3.771 7.802 14 HZ2 LYS 1 HZ2 LYS 1 -6.548 -4.035 8.379 15 HZ3 LYS 1 HZ3 LYS 1 -5.966 -4.952 7.155 16 H LEU 2 H LEU 2 -9.113 -5.294 2.319 17 HA LEU 2 HA LEU 2 -8.371 -2.913 0.687 18 HB2 LEU 2 HB2 LEU 2 -6.952 -5.540 1.222 19 HB3 LEU 2 HB3 LEU 2 -6.537 -4.527 -0.164 20 HG LEU 2 HG LEU 2 -6.441 -3.478 2.687 21 HD11 LEU 2 HD11 LEU 2 -4.864 -5.367 2.430 22 HD12 LEU 2 HD12 LEU 2 -4.178 -4.597 0.983 23 HD13 LEU 2 HD13 LEU 2 -4.012 -3.820 2.576 24 HD21 LEU 2 HD21 LEU 2 -4.994 -1.756 1.707 25 HD22 LEU 2 HD22 LEU 2 -5.146 -2.507 0.105 26 HD23 LEU 2 HD23 LEU 2 -6.554 -1.754 0.887 27 HA PRO 3 HA PRO 3 -10.747 -4.623 -2.610 28 HB2 PRO 3 HB2 PRO 3 -8.782 -3.844 -4.682 29 HB3 PRO 3 HB3 PRO 3 -10.425 -3.214 -4.383 30 HG2 PRO 3 HG2 PRO 3 -8.153 -1.762 -3.836 31 HG3 PRO 3 HG3 PRO 3 -9.659 -1.618 -2.866 32 HD2 PRO 3 HD2 PRO 3 -7.184 -3.251 -2.279 33 HD3 PRO 3 HD3 PRO 3 -8.099 -2.161 -1.200 34 HA PRO 4 HA PRO 4 -9.770 -8.643 -3.825 35 HB2 PRO 4 HB2 PRO 4 -9.931 -7.964 -6.771 36 HB3 PRO 4 HB3 PRO 4 -10.649 -9.353 -5.890 37 HG2 PRO 4 HG2 PRO 4 -12.181 -7.209 -6.465 38 HG3 PRO 4 HG3 PRO 4 -12.257 -7.923 -4.819 39 HD2 PRO 4 HD2 PRO 4 -10.726 -5.478 -5.743 40 HD3 PRO 4 HD3 PRO 4 -11.726 -5.700 -4.273 41 H GLY 5 H GLY 5 -7.915 -9.598 -3.510 42 HA2 GLY 5 HA2 GLY 5 -5.856 -10.533 -3.914 43 HA3 GLY 5 HA3 GLY 5 -5.742 -9.643 -5.440 44 H TRP 6 H TRP 6 -6.267 -7.190 -3.261 45 HA TRP 6 HA TRP 6 -3.430 -6.499 -3.170 46 HB2 TRP 6 HB2 TRP 6 -5.910 -5.101 -2.206 47 HB3 TRP 6 HB3 TRP 6 -4.279 -4.470 -1.948 48 HD1 TRP 6 HD1 TRP 6 -6.904 -4.939 -4.623 49 HE1 TRP 6 HE1 TRP 6 -6.310 -3.557 -6.708 50 HE3 TRP 6 HE3 TRP 6 -2.081 -3.787 -3.420 51 HZ2 TRP 6 HZ2 TRP 6 -3.907 -2.470 -7.865 52 HZ3 TRP 6 HZ3 TRP 6 -0.621 -2.636 -5.075 53 HH2 TRP 6 HH2 TRP 6 -1.515 -1.972 -7.294 54 H GLU 7 H GLU 7 -2.029 -6.513 -1.565 55 HA GLU 7 HA GLU 7 -2.839 -6.831 1.263 56 HB2 GLU 7 HB2 GLU 7 -1.009 -8.693 -0.302 57 HB3 GLU 7 HB3 GLU 7 -0.890 -8.529 1.447 58 HG2 GLU 7 HG2 GLU 7 -3.341 -9.496 -0.076 59 HG3 GLU 7 HG3 GLU 7 -2.169 -10.499 0.759 60 H LYS 8 H LYS 8 -1.206 -6.230 2.785 61 HA LYS 8 HA LYS 8 0.512 -4.045 1.894 62 HB2 LYS 8 HB2 LYS 8 -0.126 -5.221 4.603 63 HB3 LYS 8 HB3 LYS 8 1.242 -4.120 4.389 64 HG2 LYS 8 HG2 LYS 8 -0.235 -2.416 3.376 65 HG3 LYS 8 HG3 LYS 8 -1.622 -3.505 3.584 66 HD2 LYS 8 HD2 LYS 8 -1.681 -1.900 5.365 67 HD3 LYS 8 HD3 LYS 8 -1.204 -3.450 6.076 68 HE2 LYS 8 HE2 LYS 8 1.192 -2.712 6.013 69 HE3 LYS 8 HE3 LYS 8 0.688 -1.178 5.295 70 HZ1 LYS 8 HZ1 LYS 8 -0.581 -0.721 7.323 71 HZ2 LYS 8 HZ2 LYS 8 -0.125 -2.147 7.983 72 HZ3 LYS 8 HZ3 LYS 8 0.986 -0.988 7.698 73 H ARG 9 H ARG 9 2.600 -3.779 1.954 74 HA ARG 9 HA ARG 9 4.503 -6.008 2.511 75 HB2 ARG 9 HB2 ARG 9 4.504 -4.266 0.015 76 HB3 ARG 9 HB3 ARG 9 5.764 -5.426 0.443 77 HG2 ARG 9 HG2 ARG 9 2.898 -6.095 -0.304 78 HG3 ARG 9 HG3 ARG 9 4.333 -6.257 -1.333 79 HD2 ARG 9 HD2 ARG 9 5.325 -7.901 0.157 80 HD3 ARG 9 HD3 ARG 9 3.973 -7.770 1.288 81 HE ARG 9 HE ARG 9 3.973 -9.047 -1.399 82 HH11 ARG 9 HH11 ARG 9 2.080 -8.379 1.502 83 HH12 ARG 9 HH12 ARG 9 1.068 -9.778 1.233 84 HH21 ARG 9 HH21 ARG 9 2.576 -10.726 -1.696 85 HH22 ARG 9 HH22 ARG 9 1.286 -11.003 -0.561 86 H MET 10 H MET 10 6.791 -5.172 2.531 87 HA MET 10 HA MET 10 7.142 -2.315 2.982 88 HB2 MET 10 HB2 MET 10 6.298 -3.187 5.199 89 HB3 MET 10 HB3 MET 10 7.724 -4.228 5.276 90 HG2 MET 10 HG2 MET 10 9.154 -2.137 5.144 91 HG3 MET 10 HG3 MET 10 7.669 -1.189 5.165 92 HE1 MET 10 HE1 MET 10 9.534 -3.495 8.708 93 HE2 MET 10 HE2 MET 10 8.957 -4.364 7.271 94 HE3 MET 10 HE3 MET 10 10.294 -3.200 7.129 95 H PHE 11 H PHE 11 9.100 -1.656 2.464 96 HA PHE 11 HA PHE 11 11.136 -3.439 1.431 97 HB2 PHE 11 HB2 PHE 11 10.980 -0.448 1.814 98 HB3 PHE 11 HB3 PHE 11 12.377 -1.261 1.104 99 HD1 PHE 11 HD1 PHE 11 12.010 -2.734 -0.999 100 HD2 PHE 11 HD2 PHE 11 9.151 0.174 0.409 101 HE1 PHE 11 HE1 PHE 11 11.004 -2.608 -3.266 102 HE2 PHE 11 HE2 PHE 11 8.174 0.318 -1.845 103 HZ PHE 11 HZ PHE 11 9.093 -1.072 -3.701 104 H ALA 12 H ALA 12 13.421 -3.397 2.019 105 HA ALA 12 HA ALA 12 13.882 -4.034 4.744 106 HB1 ALA 12 HB1 ALA 12 16.241 -4.171 4.034 107 HB2 ALA 12 HB2 ALA 12 15.171 -4.918 2.834 108 HB3 ALA 12 HB3 ALA 12 15.855 -3.301 2.533 109 H ASN 13 H ASN 13 13.991 -0.904 3.193 110 HA ASN 13 HA ASN 13 15.488 0.423 5.344 111 HB2 ASN 13 HB2 ASN 13 15.086 2.462 4.035 112 HB3 ASN 13 HB3 ASN 13 15.752 1.161 3.036 113 HD21 ASN 13 HD21 ASN 13 14.931 2.587 1.290 114 H GLY 14 H GLY 14 12.356 -0.749 5.281 115 HA2 GLY 14 HA2 GLY 14 10.749 -0.480 6.944 116 HA3 GLY 14 HA3 GLY 14 11.491 1.043 7.465 117 H THR 15 H THR 15 10.774 0.717 4.042 118 HA THR 15 HA THR 15 8.611 2.744 4.248 119 HB THR 15 HB THR 15 10.053 1.562 1.850 120 HG1 THR 15 HG1 THR 15 11.404 2.714 3.059 121 HG21 THR 15 HG21 THR 15 8.121 3.886 2.055 122 HG22 THR 15 HG22 THR 15 9.196 3.591 0.668 123 HG23 THR 15 HG23 THR 15 7.953 2.402 1.075 124 H VAL 16 H VAL 16 6.491 2.212 4.068 125 HA VAL 16 HA VAL 16 5.741 -0.611 3.493 126 HB VAL 16 HB VAL 16 4.288 1.759 4.721 127 HG11 VAL 16 HG11 VAL 16 2.416 0.233 5.241 128 HG12 VAL 16 HG12 VAL 16 2.562 0.506 3.510 129 HG13 VAL 16 HG13 VAL 16 3.147 -1.021 4.212 130 HG21 VAL 16 HG21 VAL 16 4.259 0.337 6.731 131 HG22 VAL 16 HG22 VAL 16 5.084 -0.961 5.849 132 HG23 VAL 16 HG23 VAL 16 5.924 0.573 6.175 133 H TYR 17 H TYR 17 4.354 -1.225 1.898 134 HA TYR 17 HA TYR 17 3.081 0.729 0.108 135 HB2 TYR 17 HB2 TYR 17 4.059 -0.117 -1.923 136 HB3 TYR 17 HB3 TYR 17 5.331 0.451 -0.878 137 HD1 TYR 17 HD1 TYR 17 6.784 -1.225 0.371 138 HD2 TYR 17 HD2 TYR 17 4.058 -2.384 -2.781 139 HE1 TYR 17 HE1 TYR 17 8.142 -3.261 -0.067 140 HE2 TYR 17 HE2 TYR 17 5.423 -4.409 -3.211 141 HH TYR 17 HH TYR 17 8.437 -5.081 -1.409 142 H TYR 18 H TYR 18 1.951 -0.651 -1.706 143 HA TYR 18 HA TYR 18 0.609 -3.020 -0.479 144 HB2 TYR 18 HB2 TYR 18 -0.590 -0.835 -2.216 145 HB3 TYR 18 HB3 TYR 18 -1.425 -2.287 -1.645 146 HD1 TYR 18 HD1 TYR 18 -2.173 -2.510 0.674 147 HD2 TYR 18 HD2 TYR 18 -0.028 0.994 -0.651 148 HE1 TYR 18 HE1 TYR 18 -2.811 -1.324 2.767 149 HE2 TYR 18 HE2 TYR 18 -0.639 2.166 1.465 150 HH TYR 18 HH TYR 18 -2.669 0.608 3.964 151 H PHE 19 H PHE 19 0.239 -4.769 -1.752 152 HA PHE 19 HA PHE 19 1.112 -4.730 -4.603 153 HB2 PHE 19 HB2 PHE 19 3.060 -5.367 -3.324 154 HB3 PHE 19 HB3 PHE 19 2.116 -6.594 -2.453 155 HD1 PHE 19 HD1 PHE 19 3.226 -5.574 -5.846 156 HD2 PHE 19 HD2 PHE 19 1.898 -8.822 -3.351 157 HE1 PHE 19 HE1 PHE 19 3.649 -7.132 -7.689 158 HE2 PHE 19 HE2 PHE 19 2.405 -10.426 -5.184 159 HZ PHE 19 HZ PHE 19 3.273 -9.597 -7.364 160 H ASN 20 H ASN 20 -0.014 -5.991 -5.968 161 HA ASN 20 HA ASN 20 -2.310 -7.488 -4.827 162 HB2 ASN 20 HB2 ASN 20 -2.619 -5.596 -6.479 163 HB3 ASN 20 HB3 ASN 20 -1.879 -6.641 -7.704 164 HD21 ASN 20 HD21 ASN 20 -4.799 -5.615 -6.710 165 HD22 ASN 20 HD22 ASN 20 -5.756 -7.067 -6.939 166 H HIS 21 H HIS 21 -1.988 -9.635 -4.550 167 HA HIS 21 HA HIS 21 0.183 -11.006 -5.936 168 HB2 HIS 21 HB2 HIS 21 -0.078 -12.695 -4.444 169 HB3 HIS 21 HB3 HIS 21 -0.690 -11.337 -3.499 170 HD2 HIS 21 HD2 HIS 21 -3.441 -11.308 -3.092 171 HE1 HIS 21 HE1 HIS 21 -4.051 -15.393 -4.138 172 HE2 HIS 21 HE2 HIS 21 -5.089 -13.357 -3.014 173 H ILE 22 H ILE 22 -3.114 -10.517 -6.730 174 HA ILE 22 HA ILE 22 -3.436 -12.907 -8.419 175 HB ILE 22 HB ILE 22 -5.160 -10.429 -8.018 176 HG12 ILE 22 HG12 ILE 22 -4.849 -11.773 -5.914 177 HG13 ILE 22 HG13 ILE 22 -6.507 -11.637 -6.464 178 HG21 ILE 22 HG21 ILE 22 -5.787 -13.035 -9.431 179 HG22 ILE 22 HG22 ILE 22 -7.007 -11.839 -8.933 180 HG23 ILE 22 HG23 ILE 22 -5.768 -11.395 -10.108 181 HD11 ILE 22 HD11 ILE 22 -6.429 -13.947 -7.346 182 HD12 ILE 22 HD12 ILE 22 -4.723 -14.078 -6.840 183 HD13 ILE 22 HD13 ILE 22 -6.010 -13.873 -5.632 184 H THR 23 H THR 23 -2.912 -9.418 -8.798 185 HA THR 23 HA THR 23 -2.689 -9.700 -11.747 186 HB THR 23 HB THR 23 -3.420 -7.508 -11.997 187 HG1 THR 23 HG1 THR 23 -3.860 -6.449 -9.796 188 HG21 THR 23 HG21 THR 23 -5.254 -9.051 -11.227 189 HG22 THR 23 HG22 THR 23 -5.014 -8.442 -9.572 190 HG23 THR 23 HG23 THR 23 -5.531 -7.339 -10.863 191 H ASN 24 H ASN 24 -0.591 -9.257 -9.179 192 HA ASN 24 HA ASN 24 1.500 -8.620 -8.887 193 HB2 ASN 24 HB2 ASN 24 1.834 -8.822 -11.895 194 HB3 ASN 24 HB3 ASN 24 3.139 -8.721 -10.705 195 HD21 ASN 24 HD21 ASN 24 1.439 -10.908 -12.544 196 HD22 ASN 24 HD22 ASN 24 1.745 -12.333 -11.546 197 H ALA 25 H ALA 25 -0.674 -6.495 -9.660 198 HA ALA 25 HA ALA 25 0.886 -4.150 -10.332 199 HB1 ALA 25 HB1 ALA 25 -1.806 -4.417 -8.930 200 HB2 ALA 25 HB2 ALA 25 -1.142 -2.941 -9.658 201 HB3 ALA 25 HB3 ALA 25 -1.554 -4.323 -10.689 202 H SER 26 H SER 26 1.406 -2.362 -8.924 203 HA SER 26 HA SER 26 1.530 -2.865 -6.014 204 HB2 SER 26 HB2 SER 26 3.867 -2.028 -5.897 205 HB3 SER 26 HB3 SER 26 3.694 -3.617 -6.623 206 HG SER 26 HG SER 26 3.991 -1.160 -8.043 207 H GLN 27 H GLN 27 1.525 -1.011 -4.721 208 HA GLN 27 HA GLN 27 1.656 1.671 -5.974 209 HB2 GLN 27 HB2 GLN 27 -0.778 0.600 -4.485 210 HB3 GLN 27 HB3 GLN 27 -0.394 2.322 -4.628 211 HG2 GLN 27 HG2 GLN 27 -0.449 2.169 -7.072 212 HG3 GLN 27 HG3 GLN 27 -0.950 0.470 -6.956 213 HE21 GLN 27 HE21 GLN 27 -3.891 2.784 -5.335 214 HE22 GLN 27 HE22 GLN 27 -2.397 2.477 -4.444 215 H PHE 28 H PHE 28 2.410 3.260 -4.692 216 HA PHE 28 HA PHE 28 3.244 2.643 -1.953 217 HB2 PHE 28 HB2 PHE 28 3.641 5.030 -3.737 218 HB3 PHE 28 HB3 PHE 28 4.014 5.076 -2.012 219 HD1 PHE 28 HD1 PHE 28 5.824 3.750 -1.022 220 HD2 PHE 28 HD2 PHE 28 5.044 3.680 -5.266 221 HE1 PHE 28 HE1 PHE 28 8.073 2.773 -1.426 222 HE2 PHE 28 HE2 PHE 28 7.285 2.681 -5.660 223 HZ PHE 28 HZ PHE 28 8.805 2.233 -3.741 224 H GLU 29 H GLU 29 0.441 3.926 -3.342 225 HA GLU 29 HA GLU 29 -0.546 4.984 -0.736 226 HB2 GLU 29 HB2 GLU 29 -0.524 6.745 -2.323 227 HB3 GLU 29 HB3 GLU 29 -1.157 5.718 -3.597 228 HG2 GLU 29 HG2 GLU 29 -2.805 7.319 -2.942 229 HG3 GLU 29 HG3 GLU 29 -3.367 5.694 -2.597 230 H ARG 30 H ARG 30 -2.585 4.424 -0.022 231 HA ARG 30 HA ARG 30 -3.195 1.695 -0.169 232 HB2 ARG 30 HB2 ARG 30 -3.615 3.018 1.751 233 HB3 ARG 30 HB3 ARG 30 -4.772 4.044 0.917 234 HG2 ARG 30 HG2 ARG 30 -5.309 1.072 1.053 235 HG3 ARG 30 HG3 ARG 30 -5.507 2.031 2.526 236 HD2 ARG 30 HD2 ARG 30 -7.384 3.079 1.813 237 HD3 ARG 30 HD3 ARG 30 -6.789 3.277 0.172 238 HE ARG 30 HE ARG 30 -7.776 1.323 -0.500 239 HH11 ARG 30 HH11 ARG 30 -7.838 1.171 3.025 240 HH12 ARG 30 HH12 ARG 30 -8.866 -0.252 2.967 241 HH21 ARG 30 HH21 ARG 30 -9.188 -0.297 -0.418 242 HH22 ARG 30 HH22 ARG 30 -9.619 -1.013 1.138 243 HA PRO 31 HA PRO 31 -5.264 1.657 -4.079 244 HB2 PRO 31 HB2 PRO 31 -5.759 -1.010 -4.380 245 HB3 PRO 31 HB3 PRO 31 -4.101 -0.326 -4.368 246 HG2 PRO 31 HG2 PRO 31 -5.621 -1.538 -2.034 247 HG3 PRO 31 HG3 PRO 31 -3.965 -1.946 -2.593 248 HD2 PRO 31 HD2 PRO 31 -4.354 -0.215 -0.570 249 HD3 PRO 31 HD3 PRO 31 -3.087 0.082 -1.799 250 H SER 32 H SER 32 -7.231 1.523 -5.119 251 HA SER 32 HA SER 32 -9.662 0.975 -3.442 252 HB2 SER 32 HB2 SER 32 -9.237 3.084 -5.582 253 HB3 SER 32 HB3 SER 32 -10.793 2.705 -4.823 254 HG SER 32 HG SER 32 -8.446 3.591 -3.490 255 H GLY 33 H GLY 33 -8.005 -0.266 -6.079 256 HA2 GLY 33 HA2 GLY 33 -9.838 -2.260 -6.750 257 HA3 GLY 33 HA3 GLY 33 -10.169 -0.947 -7.881 258 H1 GAL 101 H1 GAL 34 12.096 1.883 0.668 259 H2 GAL 101 H2 GAL 34 13.768 4.156 -0.533 260 H3 GAL 101 H3 GAL 34 10.876 3.273 -1.017 261 H4 GAL 101 H4 GAL 34 11.606 2.560 -3.232 262 H5 GAL 101 H5 GAL 34 11.832 0.829 -1.548 263 H61 GAL 101 H61 GAL 34 12.733 0.036 -3.641 264 H62 GAL 101 H62 GAL 34 14.268 0.896 -3.384 265 HO2 GAL 101 H2O GAL 34 11.661 4.150 1.410 266 HO3 GAL 101 H3O GAL 34 11.441 5.577 -1.243 267 HO4 GAL 101 H4O GAL 34 13.288 4.220 -3.283 268 HO6 GAL 101 H6O GAL 34 14.355 -0.382 -1.352 Start of MODEL 12 1 H1 LYS 1 H1 LYS 1 -10.956 -5.209 3.666 2 H2 LYS 1 H2 LYS 1 -12.030 -3.989 3.455 3 H3 LYS 1 H3 LYS 1 -11.573 -4.424 4.960 4 HA LYS 1 HA LYS 1 -10.534 -2.383 4.372 5 HB2 LYS 1 HB2 LYS 1 -8.179 -2.922 4.772 6 HB3 LYS 1 HB3 LYS 1 -9.279 -3.669 5.918 7 HG2 LYS 1 HG2 LYS 1 -8.986 -5.864 4.899 8 HG3 LYS 1 HG3 LYS 1 -8.038 -5.176 3.573 9 HD2 LYS 1 HD2 LYS 1 -6.316 -4.411 5.208 10 HD3 LYS 1 HD3 LYS 1 -7.215 -5.250 6.497 11 HE2 LYS 1 HE2 LYS 1 -6.978 -7.393 5.279 12 HE3 LYS 1 HE3 LYS 1 -6.181 -6.561 3.938 13 HZ1 LYS 1 HZ1 LYS 1 -4.544 -7.573 5.314 14 HZ2 LYS 1 HZ2 LYS 1 -4.377 -5.970 5.477 15 HZ3 LYS 1 HZ3 LYS 1 -5.089 -6.833 6.682 16 H LEU 2 H LEU 2 -9.373 -4.888 2.041 17 HA LEU 2 HA LEU 2 -8.673 -2.690 0.157 18 HB2 LEU 2 HB2 LEU 2 -7.178 -5.259 0.790 19 HB3 LEU 2 HB3 LEU 2 -6.723 -4.107 -0.472 20 HG LEU 2 HG LEU 2 -6.789 -3.364 2.479 21 HD11 LEU 2 HD11 LEU 2 -5.147 -5.152 2.073 22 HD12 LEU 2 HD12 LEU 2 -4.454 -4.218 0.727 23 HD13 LEU 2 HD13 LEU 2 -4.342 -3.605 2.394 24 HD21 LEU 2 HD21 LEU 2 -6.908 -1.464 0.831 25 HD22 LEU 2 HD22 LEU 2 -5.411 -1.483 1.768 26 HD23 LEU 2 HD23 LEU 2 -5.405 -2.075 0.097 27 HA PRO 3 HA PRO 3 -10.898 -4.937 -2.942 28 HB2 PRO 3 HB2 PRO 3 -8.893 -4.326 -5.040 29 HB3 PRO 3 HB3 PRO 3 -10.579 -3.759 -4.884 30 HG2 PRO 3 HG2 PRO 3 -8.428 -2.109 -4.459 31 HG3 PRO 3 HG3 PRO 3 -9.958 -1.947 -3.532 32 HD2 PRO 3 HD2 PRO 3 -7.414 -3.386 -2.738 33 HD3 PRO 3 HD3 PRO 3 -8.370 -2.207 -1.800 34 HA PRO 4 HA PRO 4 -9.576 -9.028 -3.669 35 HB2 PRO 4 HB2 PRO 4 -9.808 -8.695 -6.668 36 HB3 PRO 4 HB3 PRO 4 -10.417 -10.024 -5.626 37 HG2 PRO 4 HG2 PRO 4 -12.110 -8.083 -6.438 38 HG3 PRO 4 HG3 PRO 4 -12.138 -8.612 -4.721 39 HD2 PRO 4 HD2 PRO 4 -10.788 -6.177 -5.919 40 HD3 PRO 4 HD3 PRO 4 -11.789 -6.304 -4.437 41 H GLY 5 H GLY 5 -7.661 -9.926 -3.431 42 HA2 GLY 5 HA2 GLY 5 -5.536 -10.707 -3.911 43 HA3 GLY 5 HA3 GLY 5 -5.489 -9.701 -5.373 44 H TRP 6 H TRP 6 -6.221 -7.388 -3.214 45 HA TRP 6 HA TRP 6 -3.441 -6.527 -3.004 46 HB2 TRP 6 HB2 TRP 6 -6.048 -5.245 -2.223 47 HB3 TRP 6 HB3 TRP 6 -4.470 -4.512 -1.922 48 HD1 TRP 6 HD1 TRP 6 -6.915 -5.265 -4.711 49 HE1 TRP 6 HE1 TRP 6 -6.287 -3.938 -6.822 50 HE3 TRP 6 HE3 TRP 6 -2.290 -3.654 -3.259 51 HZ2 TRP 6 HZ2 TRP 6 -3.892 -2.753 -7.893 52 HZ3 TRP 6 HZ3 TRP 6 -0.811 -2.476 -4.885 53 HH2 TRP 6 HH2 TRP 6 -1.595 -2.020 -7.195 54 H GLU 7 H GLU 7 -2.155 -6.269 -1.315 55 HA GLU 7 HA GLU 7 -3.137 -6.304 1.445 56 HB2 GLU 7 HB2 GLU 7 -1.550 -8.531 0.257 57 HB3 GLU 7 HB3 GLU 7 -0.843 -7.865 1.711 58 HG2 GLU 7 HG2 GLU 7 -3.660 -8.970 1.482 59 HG3 GLU 7 HG3 GLU 7 -2.270 -9.780 2.192 60 H LYS 8 H LYS 8 -1.444 -5.650 2.990 61 HA LYS 8 HA LYS 8 0.351 -3.555 1.879 62 HB2 LYS 8 HB2 LYS 8 -0.391 -4.377 4.697 63 HB3 LYS 8 HB3 LYS 8 0.994 -3.318 4.370 64 HG2 LYS 8 HG2 LYS 8 -0.381 -1.674 3.264 65 HG3 LYS 8 HG3 LYS 8 -1.776 -2.765 3.285 66 HD2 LYS 8 HD2 LYS 8 -2.135 -1.135 4.997 67 HD3 LYS 8 HD3 LYS 8 -1.755 -2.660 5.808 68 HE2 LYS 8 HE2 LYS 8 0.626 -1.868 6.083 69 HE3 LYS 8 HE3 LYS 8 0.182 -0.354 5.289 70 HZ1 LYS 8 HZ1 LYS 8 -1.385 0.066 7.107 71 HZ2 LYS 8 HZ2 LYS 8 -0.983 -1.340 7.839 72 HZ3 LYS 8 HZ3 LYS 8 0.118 -0.142 7.705 73 H ARG 9 H ARG 9 2.514 -3.549 1.934 74 HA ARG 9 HA ARG 9 4.032 -5.914 2.924 75 HB2 ARG 9 HB2 ARG 9 3.380 -6.457 0.615 76 HB3 ARG 9 HB3 ARG 9 4.116 -4.967 0.024 77 HG2 ARG 9 HG2 ARG 9 6.333 -5.741 0.560 78 HG3 ARG 9 HG3 ARG 9 5.706 -7.128 1.477 79 HD2 ARG 9 HD2 ARG 9 5.191 -6.717 -1.495 80 HD3 ARG 9 HD3 ARG 9 6.590 -7.611 -0.879 81 HE ARG 9 HE ARG 9 3.769 -8.462 -0.904 82 HH11 ARG 9 HH11 ARG 9 6.945 -9.226 0.386 83 HH12 ARG 9 HH12 ARG 9 6.506 -10.886 0.696 84 HH21 ARG 9 HH21 ARG 9 3.285 -10.575 -0.454 85 HH22 ARG 9 HH22 ARG 9 4.499 -11.617 0.235 86 H MET 10 H MET 10 6.211 -5.556 3.310 87 HA MET 10 HA MET 10 7.026 -2.699 3.491 88 HB2 MET 10 HB2 MET 10 6.695 -3.753 5.620 89 HB3 MET 10 HB3 MET 10 7.805 -5.065 5.206 90 HG2 MET 10 HG2 MET 10 9.682 -3.576 5.151 91 HG3 MET 10 HG3 MET 10 8.654 -2.147 5.295 92 HE1 MET 10 HE1 MET 10 6.653 -2.646 7.657 93 HE2 MET 10 HE2 MET 10 7.633 -2.067 9.016 94 HE3 MET 10 HE3 MET 10 7.684 -1.208 7.462 95 H PHE 11 H PHE 11 8.810 -1.937 2.589 96 HA PHE 11 HA PHE 11 10.507 -3.544 0.855 97 HB2 PHE 11 HB2 PHE 11 10.430 -0.640 1.634 98 HB3 PHE 11 HB3 PHE 11 11.766 -1.303 0.689 99 HD1 PHE 11 HD1 PHE 11 8.690 0.346 0.449 100 HD2 PHE 11 HD2 PHE 11 11.053 -2.703 -1.478 101 HE1 PHE 11 HE1 PHE 11 7.510 0.781 -1.682 102 HE2 PHE 11 HE2 PHE 11 9.859 -2.271 -3.615 103 HZ PHE 11 HZ PHE 11 8.092 -0.520 -3.724 104 H ALA 12 H ALA 12 12.900 -3.538 0.948 105 HA ALA 12 HA ALA 12 13.900 -4.573 3.389 106 HB1 ALA 12 HB1 ALA 12 16.076 -4.490 2.229 107 HB2 ALA 12 HB2 ALA 12 14.800 -5.080 1.148 108 HB3 ALA 12 HB3 ALA 12 15.392 -3.408 0.997 109 H ASN 13 H ASN 13 13.661 -1.242 2.395 110 HA ASN 13 HA ASN 13 15.530 -0.194 4.413 111 HB2 ASN 13 HB2 ASN 13 14.826 2.010 3.503 112 HB3 ASN 13 HB3 ASN 13 15.420 0.895 2.262 113 HD21 ASN 13 HD21 ASN 13 14.318 2.401 0.811 114 H GLY 14 H GLY 14 12.380 -1.367 4.667 115 HA2 GLY 14 HA2 GLY 14 11.085 -1.374 6.605 116 HA3 GLY 14 HA3 GLY 14 11.923 0.058 7.219 117 H THR 15 H THR 15 10.746 0.427 3.964 118 HA THR 15 HA THR 15 8.583 2.266 4.874 119 HB THR 15 HB THR 15 9.910 1.663 2.199 120 HG1 THR 15 HG1 THR 15 10.693 3.694 2.441 121 HG21 THR 15 HG21 THR 15 8.668 3.627 1.289 122 HG22 THR 15 HG22 THR 15 7.642 2.226 1.584 123 HG23 THR 15 HG23 THR 15 7.624 3.594 2.727 124 H VAL 16 H VAL 16 6.415 1.841 4.593 125 HA VAL 16 HA VAL 16 5.616 -0.829 3.547 126 HB VAL 16 HB VAL 16 4.007 1.209 5.117 127 HG11 VAL 16 HG11 VAL 16 2.420 -0.686 5.449 128 HG12 VAL 16 HG12 VAL 16 2.472 -0.139 3.776 129 HG13 VAL 16 HG13 VAL 16 3.317 -1.635 4.249 130 HG21 VAL 16 HG21 VAL 16 5.239 -1.448 5.956 131 HG22 VAL 16 HG22 VAL 16 5.739 0.166 6.520 132 HG23 VAL 16 HG23 VAL 16 4.137 -0.465 6.943 133 H TYR 17 H TYR 17 4.249 -1.143 1.897 134 HA TYR 17 HA TYR 17 2.953 1.077 0.429 135 HB2 TYR 17 HB2 TYR 17 3.982 0.508 -1.652 136 HB3 TYR 17 HB3 TYR 17 5.276 0.772 -0.519 137 HD1 TYR 17 HD1 TYR 17 6.420 -1.315 0.540 138 HD2 TYR 17 HD2 TYR 17 3.853 -1.491 -2.925 139 HE1 TYR 17 HE1 TYR 17 7.481 -3.461 -0.146 140 HE2 TYR 17 HE2 TYR 17 4.888 -3.651 -3.584 141 HH TYR 17 HH TYR 17 6.594 -5.115 -3.182 142 H TYR 18 H TYR 18 1.777 -0.145 -1.532 143 HA TYR 18 HA TYR 18 0.328 -2.496 -0.396 144 HB2 TYR 18 HB2 TYR 18 -0.630 -0.322 -2.280 145 HB3 TYR 18 HB3 TYR 18 -1.560 -1.744 -1.785 146 HD1 TYR 18 HD1 TYR 18 -2.415 -1.989 0.521 147 HD2 TYR 18 HD2 TYR 18 -0.250 1.530 -0.727 148 HE1 TYR 18 HE1 TYR 18 -3.197 -0.785 2.553 149 HE2 TYR 18 HE2 TYR 18 -1.031 2.732 1.317 150 HH TYR 18 HH TYR 18 -3.223 1.195 3.687 151 H PHE 19 H PHE 19 0.051 -4.325 -1.563 152 HA PHE 19 HA PHE 19 1.075 -4.447 -4.356 153 HB2 PHE 19 HB2 PHE 19 2.969 -4.931 -2.944 154 HB3 PHE 19 HB3 PHE 19 2.046 -6.132 -2.034 155 HD1 PHE 19 HD1 PHE 19 3.242 -5.262 -5.434 156 HD2 PHE 19 HD2 PHE 19 1.968 -8.458 -2.831 157 HE1 PHE 19 HE1 PHE 19 3.861 -6.887 -7.160 158 HE2 PHE 19 HE2 PHE 19 2.679 -10.113 -4.537 159 HZ PHE 19 HZ PHE 19 3.617 -9.349 -6.711 160 H ASN 20 H ASN 20 0.053 -5.796 -5.710 161 HA ASN 20 HA ASN 20 -2.193 -7.417 -4.622 162 HB2 ASN 20 HB2 ASN 20 -2.587 -5.641 -6.369 163 HB3 ASN 20 HB3 ASN 20 -1.668 -6.639 -7.506 164 HD21 ASN 20 HD21 ASN 20 -4.745 -5.902 -6.670 165 HD22 ASN 20 HD22 ASN 20 -5.532 -7.436 -6.982 166 H HIS 21 H HIS 21 -1.822 -9.532 -4.325 167 HA HIS 21 HA HIS 21 0.561 -10.801 -5.406 168 HB2 HIS 21 HB2 HIS 21 0.186 -12.458 -3.906 169 HB3 HIS 21 HB3 HIS 21 -0.661 -11.136 -3.106 170 HD2 HIS 21 HD2 HIS 21 -3.283 -11.438 -2.715 171 HE1 HIS 21 HE1 HIS 21 -3.702 -15.327 -4.408 172 HE2 HIS 21 HE2 HIS 21 -4.859 -13.525 -3.031 173 H ILE 22 H ILE 22 -2.710 -10.596 -6.552 174 HA ILE 22 HA ILE 22 -2.629 -13.021 -8.204 175 HB ILE 22 HB ILE 22 -4.636 -10.718 -8.104 176 HG12 ILE 22 HG12 ILE 22 -4.577 -13.378 -6.592 177 HG13 ILE 22 HG13 ILE 22 -4.461 -11.757 -5.895 178 HG21 ILE 22 HG21 ILE 22 -4.772 -12.059 -10.184 179 HG22 ILE 22 HG22 ILE 22 -4.912 -13.544 -9.217 180 HG23 ILE 22 HG23 ILE 22 -6.185 -12.301 -9.180 181 HD11 ILE 22 HD11 ILE 22 -6.921 -13.021 -7.137 182 HD12 ILE 22 HD12 ILE 22 -6.653 -12.533 -5.458 183 HD13 ILE 22 HD13 ILE 22 -6.799 -11.292 -6.720 184 H THR 23 H THR 23 -2.402 -9.509 -8.645 185 HA THR 23 HA THR 23 -1.935 -9.826 -11.558 186 HB THR 23 HB THR 23 -2.792 -7.688 -11.895 187 HG1 THR 23 HG1 THR 23 -3.464 -6.640 -9.753 188 HG21 THR 23 HG21 THR 23 -4.558 -9.364 -11.225 189 HG22 THR 23 HG22 THR 23 -4.489 -8.704 -9.575 190 HG23 THR 23 HG23 THR 23 -4.989 -7.670 -10.927 191 H ASN 24 H ASN 24 -0.061 -9.202 -8.859 192 HA ASN 24 HA ASN 24 1.955 -8.406 -8.432 193 HB2 ASN 24 HB2 ASN 24 2.523 -8.653 -11.402 194 HB3 ASN 24 HB3 ASN 24 3.725 -8.450 -10.121 195 HD21 ASN 24 HD21 ASN 24 2.265 -10.769 -12.023 196 HD22 ASN 24 HD22 ASN 24 2.596 -12.156 -10.980 197 H ALA 25 H ALA 25 -0.296 -6.463 -9.439 198 HA ALA 25 HA ALA 25 1.126 -4.039 -10.107 199 HB1 ALA 25 HB1 ALA 25 -1.609 -4.456 -8.826 200 HB2 ALA 25 HB2 ALA 25 -1.012 -2.954 -9.564 201 HB3 ALA 25 HB3 ALA 25 -1.274 -4.387 -10.573 202 H SER 26 H SER 26 1.569 -2.215 -8.761 203 HA SER 26 HA SER 26 1.542 -2.591 -5.833 204 HB2 SER 26 HB2 SER 26 3.859 -1.891 -5.576 205 HB3 SER 26 HB3 SER 26 3.727 -3.411 -6.468 206 HG SER 26 HG SER 26 5.212 -1.999 -7.450 207 H GLN 27 H GLN 27 1.554 -0.661 -4.618 208 HA GLN 27 HA GLN 27 1.708 1.962 -5.979 209 HB2 GLN 27 HB2 GLN 27 -0.794 0.964 -4.552 210 HB3 GLN 27 HB3 GLN 27 -0.414 2.675 -4.821 211 HG2 GLN 27 HG2 GLN 27 -0.420 2.384 -7.211 212 HG3 GLN 27 HG3 GLN 27 -0.840 0.662 -7.031 213 HE21 GLN 27 HE21 GLN 27 -2.464 2.680 -4.666 214 HE22 GLN 27 HE22 GLN 27 -3.959 2.846 -5.588 215 H PHE 28 H PHE 28 2.194 3.680 -4.689 216 HA PHE 28 HA PHE 28 2.920 3.179 -1.885 217 HB2 PHE 28 HB2 PHE 28 3.395 5.494 -3.742 218 HB3 PHE 28 HB3 PHE 28 3.654 5.619 -2.000 219 HD1 PHE 28 HD1 PHE 28 4.927 4.144 -5.121 220 HD2 PHE 28 HD2 PHE 28 5.388 4.311 -0.834 221 HE1 PHE 28 HE1 PHE 28 7.188 3.135 -5.323 222 HE2 PHE 28 HE2 PHE 28 7.653 3.316 -1.043 223 HZ PHE 28 HZ PHE 28 8.552 2.722 -3.287 224 H GLU 29 H GLU 29 0.191 4.333 -3.497 225 HA GLU 29 HA GLU 29 -1.042 5.391 -0.979 226 HB2 GLU 29 HB2 GLU 29 -0.876 7.053 -2.772 227 HB3 GLU 29 HB3 GLU 29 -1.706 5.961 -3.895 228 HG2 GLU 29 HG2 GLU 29 -3.760 6.093 -2.582 229 HG3 GLU 29 HG3 GLU 29 -2.937 7.015 -1.317 230 H ARG 30 H ARG 30 -3.263 4.619 -0.535 231 HA ARG 30 HA ARG 30 -3.351 1.833 -0.862 232 HB2 ARG 30 HB2 ARG 30 -5.375 1.772 0.320 233 HB3 ARG 30 HB3 ARG 30 -4.386 3.017 1.036 234 HG2 ARG 30 HG2 ARG 30 -5.836 4.697 0.529 235 HG3 ARG 30 HG3 ARG 30 -6.318 4.025 -1.034 236 HD2 ARG 30 HD2 ARG 30 -7.233 2.996 1.664 237 HD3 ARG 30 HD3 ARG 30 -8.175 4.034 0.586 238 HE ARG 30 HE ARG 30 -7.748 1.993 -1.112 239 HH11 ARG 30 HH11 ARG 30 -8.625 1.653 2.296 240 HH12 ARG 30 HH12 ARG 30 -9.343 0.082 1.984 241 HH21 ARG 30 HH21 ARG 30 -8.811 0.174 -1.385 242 HH22 ARG 30 HH22 ARG 30 -9.597 -0.638 -0.027 243 HA PRO 31 HA PRO 31 -5.254 1.114 -4.768 244 HB2 PRO 31 HB2 PRO 31 -6.164 -1.440 -4.475 245 HB3 PRO 31 HB3 PRO 31 -4.417 -1.020 -4.535 246 HG2 PRO 31 HG2 PRO 31 -6.163 -1.447 -2.083 247 HG3 PRO 31 HG3 PRO 31 -4.567 -2.191 -2.434 248 HD2 PRO 31 HD2 PRO 31 -4.779 -0.007 -0.870 249 HD3 PRO 31 HD3 PRO 31 -3.436 -0.169 -2.047 250 H SER 32 H SER 32 -7.201 0.796 -5.902 251 HA SER 32 HA SER 32 -9.763 0.899 -4.360 252 HB2 SER 32 HB2 SER 32 -10.587 2.551 -5.968 253 HB3 SER 32 HB3 SER 32 -9.153 3.136 -5.107 254 HG SER 32 HG SER 32 -9.033 3.531 -7.362 255 H GLY 33 H GLY 33 -8.068 -0.799 -6.773 256 HA2 GLY 33 HA2 GLY 33 -9.972 -2.775 -7.214 257 HA3 GLY 33 HA3 GLY 33 -10.248 -1.606 -8.507 258 H1 GAL 101 H1 GAL 34 11.441 1.659 0.480 259 H2 GAL 101 H2 GAL 34 12.971 4.134 -0.477 260 H3 GAL 101 H3 GAL 34 10.102 3.335 -1.164 261 H4 GAL 101 H4 GAL 34 10.891 2.928 -3.468 262 H5 GAL 101 H5 GAL 34 10.901 1.037 -1.873 263 H61 GAL 101 H61 GAL 34 12.479 -0.502 -2.948 264 H62 GAL 101 H62 GAL 34 11.612 0.473 -4.151 265 HO2 GAL 101 H2O GAL 34 11.194 5.178 0.599 266 HO3 GAL 101 H3O GAL 34 11.708 5.279 -2.453 267 HO4 GAL 101 H4O GAL 34 13.376 2.752 -3.481 268 HO6 GAL 101 H6O GAL 34 13.943 0.310 -4.488 Start of MODEL 13 1 H1 LYS 1 H1 LYS 1 -11.996 -5.985 3.326 2 H2 LYS 1 H2 LYS 1 -12.038 -4.519 4.046 3 H3 LYS 1 H3 LYS 1 -11.741 -5.858 4.941 4 HA LYS 1 HA LYS 1 -9.720 -4.623 4.607 5 HB2 LYS 1 HB2 LYS 1 -8.303 -6.423 3.813 6 HB3 LYS 1 HB3 LYS 1 -9.546 -7.058 4.856 7 HG2 LYS 1 HG2 LYS 1 -10.715 -8.110 3.105 8 HG3 LYS 1 HG3 LYS 1 -9.957 -7.151 1.846 9 HD2 LYS 1 HD2 LYS 1 -8.465 -9.161 3.574 10 HD3 LYS 1 HD3 LYS 1 -9.169 -9.555 2.013 11 HE2 LYS 1 HE2 LYS 1 -7.029 -7.409 2.409 12 HE3 LYS 1 HE3 LYS 1 -6.686 -9.086 2.002 13 HZ1 LYS 1 HZ1 LYS 1 -8.319 -7.272 0.298 14 HZ2 LYS 1 HZ2 LYS 1 -6.750 -7.687 0.033 15 HZ3 LYS 1 HZ3 LYS 1 -7.926 -8.822 -0.045 16 H LEU 2 H LEU 2 -7.893 -4.905 2.614 17 HA LEU 2 HA LEU 2 -8.396 -2.923 0.643 18 HB2 LEU 2 HB2 LEU 2 -6.430 -5.236 0.867 19 HB3 LEU 2 HB3 LEU 2 -6.307 -4.012 -0.401 20 HG LEU 2 HG LEU 2 -6.296 -3.204 2.526 21 HD11 LEU 2 HD11 LEU 2 -4.517 -4.856 2.226 22 HD12 LEU 2 HD12 LEU 2 -3.936 -3.997 0.777 23 HD13 LEU 2 HD13 LEU 2 -3.836 -3.228 2.382 24 HD21 LEU 2 HD21 LEU 2 -5.089 -1.961 0.025 25 HD22 LEU 2 HD22 LEU 2 -6.635 -1.452 0.744 26 HD23 LEU 2 HD23 LEU 2 -5.128 -1.247 1.651 27 HA PRO 3 HA PRO 3 -10.657 -4.900 -2.524 28 HB2 PRO 3 HB2 PRO 3 -8.848 -4.038 -4.721 29 HB3 PRO 3 HB3 PRO 3 -10.546 -3.589 -4.397 30 HG2 PRO 3 HG2 PRO 3 -8.453 -1.867 -3.982 31 HG3 PRO 3 HG3 PRO 3 -9.924 -1.862 -2.945 32 HD2 PRO 3 HD2 PRO 3 -7.240 -3.148 -2.436 33 HD3 PRO 3 HD3 PRO 3 -8.247 -2.183 -1.321 34 HA PRO 4 HA PRO 4 -9.602 -8.884 -3.753 35 HB2 PRO 4 HB2 PRO 4 -9.869 -8.248 -6.702 36 HB3 PRO 4 HB3 PRO 4 -10.502 -9.659 -5.789 37 HG2 PRO 4 HG2 PRO 4 -12.143 -7.587 -6.328 38 HG3 PRO 4 HG3 PRO 4 -12.130 -8.285 -4.672 39 HD2 PRO 4 HD2 PRO 4 -10.741 -5.789 -5.677 40 HD3 PRO 4 HD3 PRO 4 -11.672 -6.037 -4.167 41 H GLY 5 H GLY 5 -7.715 -9.774 -3.472 42 HA2 GLY 5 HA2 GLY 5 -5.600 -10.581 -3.839 43 HA3 GLY 5 HA3 GLY 5 -5.537 -9.733 -5.391 44 H TRP 6 H TRP 6 -6.208 -7.190 -3.426 45 HA TRP 6 HA TRP 6 -3.406 -6.396 -3.164 46 HB2 TRP 6 HB2 TRP 6 -5.974 -5.029 -2.391 47 HB3 TRP 6 HB3 TRP 6 -4.372 -4.361 -2.080 48 HD1 TRP 6 HD1 TRP 6 -6.874 -4.896 -4.850 49 HE1 TRP 6 HE1 TRP 6 -6.213 -3.505 -6.902 50 HE3 TRP 6 HE3 TRP 6 -2.138 -3.607 -3.431 51 HZ2 TRP 6 HZ2 TRP 6 -3.818 -2.240 -7.921 52 HZ3 TRP 6 HZ3 TRP 6 -0.661 -2.345 -4.995 53 HH2 TRP 6 HH2 TRP 6 -1.486 -1.662 -7.228 54 H GLU 7 H GLU 7 -2.139 -6.344 -1.465 55 HA GLU 7 HA GLU 7 -3.138 -6.557 1.312 56 HB2 GLU 7 HB2 GLU 7 -1.078 -8.419 0.049 57 HB3 GLU 7 HB3 GLU 7 -1.296 -8.195 1.795 58 HG2 GLU 7 HG2 GLU 7 -3.708 -8.897 1.505 59 HG3 GLU 7 HG3 GLU 7 -3.322 -9.333 -0.167 60 H LYS 8 H LYS 8 -1.491 -5.869 2.899 61 HA LYS 8 HA LYS 8 0.299 -3.762 1.910 62 HB2 LYS 8 HB2 LYS 8 -0.346 -4.808 4.672 63 HB3 LYS 8 HB3 LYS 8 1.041 -3.745 4.389 64 HG2 LYS 8 HG2 LYS 8 -0.383 -2.028 3.383 65 HG3 LYS 8 HG3 LYS 8 -1.795 -3.090 3.537 66 HD2 LYS 8 HD2 LYS 8 -1.907 -1.486 5.308 67 HD3 LYS 8 HD3 LYS 8 -1.495 -3.045 6.038 68 HE2 LYS 8 HE2 LYS 8 0.921 -2.345 6.084 69 HE3 LYS 8 HE3 LYS 8 0.464 -0.801 5.358 70 HZ1 LYS 8 HZ1 LYS 8 0.652 -0.628 7.773 71 HZ2 LYS 8 HZ2 LYS 8 -0.893 -0.347 7.327 72 HZ3 LYS 8 HZ3 LYS 8 -0.482 -1.780 7.997 73 H ARG 9 H ARG 9 2.419 -3.642 1.942 74 HA ARG 9 HA ARG 9 4.150 -6.008 2.434 75 HB2 ARG 9 HB2 ARG 9 3.194 -6.062 0.084 76 HB3 ARG 9 HB3 ARG 9 4.052 -4.557 -0.252 77 HG2 ARG 9 HG2 ARG 9 6.203 -5.673 0.020 78 HG3 ARG 9 HG3 ARG 9 5.413 -7.141 0.654 79 HD2 ARG 9 HD2 ARG 9 4.305 -7.519 -1.503 80 HD3 ARG 9 HD3 ARG 9 4.965 -6.000 -2.131 81 HE ARG 9 HE ARG 9 7.084 -6.922 -2.343 82 HH11 ARG 9 HH11 ARG 9 7.933 -10.245 -2.494 83 HH12 ARG 9 HH12 ARG 9 8.412 -8.610 -2.859 84 HH21 ARG 9 HH21 ARG 9 4.952 -9.392 -1.037 85 HH22 ARG 9 HH22 ARG 9 6.032 -10.681 -1.501 86 H MET 10 H MET 10 6.546 -5.327 2.135 87 HA MET 10 HA MET 10 7.037 -2.479 2.701 88 HB2 MET 10 HB2 MET 10 6.242 -3.533 4.861 89 HB3 MET 10 HB3 MET 10 7.639 -4.610 4.786 90 HG2 MET 10 HG2 MET 10 9.112 -2.526 4.788 91 HG3 MET 10 HG3 MET 10 7.642 -1.581 5.009 92 HE1 MET 10 HE1 MET 10 9.035 -4.985 6.634 93 HE2 MET 10 HE2 MET 10 10.365 -3.806 6.556 94 HE3 MET 10 HE3 MET 10 9.698 -4.295 8.129 95 H PHE 11 H PHE 11 8.998 -1.816 2.243 96 HA PHE 11 HA PHE 11 10.944 -3.513 0.933 97 HB2 PHE 11 HB2 PHE 11 10.883 -0.583 1.664 98 HB3 PHE 11 HB3 PHE 11 12.236 -1.340 0.821 99 HD1 PHE 11 HD1 PHE 11 9.031 0.239 0.401 100 HD2 PHE 11 HD2 PHE 11 11.758 -2.568 -1.419 101 HE1 PHE 11 HE1 PHE 11 7.980 0.650 -1.781 102 HE2 PHE 11 HE2 PHE 11 10.667 -2.179 -3.620 103 HZ PHE 11 HZ PHE 11 8.787 -0.558 -3.812 104 H ALA 12 H ALA 12 13.240 -3.617 1.433 105 HA ALA 12 HA ALA 12 13.793 -4.537 4.060 106 HB1 ALA 12 HB1 ALA 12 15.692 -3.639 1.845 107 HB2 ALA 12 HB2 ALA 12 16.116 -4.660 3.236 108 HB3 ALA 12 HB3 ALA 12 14.977 -5.261 2.019 109 H ASN 13 H ASN 13 13.924 -1.277 2.811 110 HA ASN 13 HA ASN 13 15.549 -0.202 5.007 111 HB2 ASN 13 HB2 ASN 13 15.178 1.955 3.919 112 HB3 ASN 13 HB3 ASN 13 15.714 0.736 2.753 113 HD21 ASN 13 HD21 ASN 13 14.867 2.379 1.228 114 H GLY 14 H GLY 14 12.383 -1.281 4.980 115 HA2 GLY 14 HA2 GLY 14 10.864 -1.140 6.739 116 HA3 GLY 14 HA3 GLY 14 11.677 0.301 7.373 117 H THR 15 H THR 15 10.796 0.370 3.975 118 HA THR 15 HA THR 15 8.693 2.402 4.510 119 HB THR 15 HB THR 15 10.005 1.472 1.933 120 HG1 THR 15 HG1 THR 15 11.419 2.472 3.209 121 HG21 THR 15 HG21 THR 15 7.877 2.420 1.360 122 HG22 THR 15 HG22 THR 15 8.133 3.795 2.469 123 HG23 THR 15 HG23 THR 15 9.128 3.613 1.003 124 H VAL 16 H VAL 16 6.563 1.941 4.361 125 HA VAL 16 HA VAL 16 5.697 -0.774 3.505 126 HB VAL 16 HB VAL 16 4.374 1.476 5.064 127 HG11 VAL 16 HG11 VAL 16 2.559 0.433 3.787 128 HG12 VAL 16 HG12 VAL 16 3.119 -1.187 4.272 129 HG13 VAL 16 HG13 VAL 16 2.478 -0.047 5.478 130 HG21 VAL 16 HG21 VAL 16 6.010 0.075 6.306 131 HG22 VAL 16 HG22 VAL 16 4.355 -0.186 6.885 132 HG23 VAL 16 HG23 VAL 16 5.113 -1.385 5.823 133 H TYR 17 H TYR 17 4.239 -1.163 1.923 134 HA TYR 17 HA TYR 17 2.943 0.982 0.388 135 HB2 TYR 17 HB2 TYR 17 3.872 0.329 -1.738 136 HB3 TYR 17 HB3 TYR 17 5.171 0.779 -0.668 137 HD1 TYR 17 HD1 TYR 17 6.593 -1.052 0.431 138 HD2 TYR 17 HD2 TYR 17 3.892 -1.789 -2.860 139 HE1 TYR 17 HE1 TYR 17 7.938 -3.029 -0.242 140 HE2 TYR 17 HE2 TYR 17 5.219 -3.795 -3.493 141 HH TYR 17 HH TYR 17 8.315 -4.547 -1.896 142 H TYR 18 H TYR 18 1.745 -0.238 -1.543 143 HA TYR 18 HA TYR 18 0.329 -2.604 -0.394 144 HB2 TYR 18 HB2 TYR 18 -0.708 -0.435 -2.248 145 HB3 TYR 18 HB3 TYR 18 -1.612 -1.844 -1.677 146 HD1 TYR 18 HD1 TYR 18 -2.279 -2.057 0.713 147 HD2 TYR 18 HD2 TYR 18 -0.303 1.471 -0.786 148 HE1 TYR 18 HE1 TYR 18 -2.926 -0.808 2.778 149 HE2 TYR 18 HE2 TYR 18 -0.930 2.709 1.278 150 HH TYR 18 HH TYR 18 -1.980 2.596 3.303 151 H PHE 19 H PHE 19 0.076 -4.400 -1.595 152 HA PHE 19 HA PHE 19 1.069 -4.467 -4.399 153 HB2 PHE 19 HB2 PHE 19 3.015 -4.886 -3.107 154 HB3 PHE 19 HB3 PHE 19 2.168 -6.072 -2.100 155 HD1 PHE 19 HD1 PHE 19 3.181 -5.337 -5.593 156 HD2 PHE 19 HD2 PHE 19 2.109 -8.408 -2.767 157 HE1 PHE 19 HE1 PHE 19 3.712 -7.036 -7.272 158 HE2 PHE 19 HE2 PHE 19 2.715 -10.143 -4.439 159 HZ PHE 19 HZ PHE 19 3.509 -9.477 -6.703 160 H ASN 20 H ASN 20 0.036 -5.778 -5.756 161 HA ASN 20 HA ASN 20 -2.177 -7.410 -4.642 162 HB2 ASN 20 HB2 ASN 20 -2.582 -5.592 -6.358 163 HB3 ASN 20 HB3 ASN 20 -1.737 -6.618 -7.531 164 HD21 ASN 20 HD21 ASN 20 -5.592 -7.336 -6.793 165 HD22 ASN 20 HD22 ASN 20 -4.765 -5.803 -6.553 166 H HIS 21 H HIS 21 -1.710 -9.507 -4.285 167 HA HIS 21 HA HIS 21 0.600 -10.750 -5.562 168 HB2 HIS 21 HB2 HIS 21 0.438 -12.391 -4.004 169 HB3 HIS 21 HB3 HIS 21 -0.309 -11.051 -3.135 170 HD2 HIS 21 HD2 HIS 21 -3.100 -11.200 -2.894 171 HE1 HIS 21 HE1 HIS 21 -3.315 -15.388 -3.648 172 HE2 HIS 21 HE2 HIS 21 -4.577 -13.371 -2.743 173 H ILE 22 H ILE 22 -2.698 -10.559 -6.468 174 HA ILE 22 HA ILE 22 -2.786 -13.033 -8.058 175 HB ILE 22 HB ILE 22 -4.680 -10.654 -7.886 176 HG12 ILE 22 HG12 ILE 22 -4.404 -11.801 -5.676 177 HG13 ILE 22 HG13 ILE 22 -6.033 -11.860 -6.325 178 HG21 ILE 22 HG21 ILE 22 -5.120 -11.806 -9.925 179 HG22 ILE 22 HG22 ILE 22 -5.066 -13.391 -9.128 180 HG23 ILE 22 HG23 ILE 22 -6.385 -12.249 -8.776 181 HD11 ILE 22 HD11 ILE 22 -5.703 -14.213 -7.009 182 HD12 ILE 22 HD12 ILE 22 -4.029 -14.151 -6.399 183 HD13 ILE 22 HD13 ILE 22 -5.402 -13.969 -5.286 184 H THR 23 H THR 23 -2.467 -9.538 -8.584 185 HA THR 23 HA THR 23 -2.104 -9.935 -11.505 186 HB THR 23 HB THR 23 -2.954 -7.798 -11.874 187 HG1 THR 23 HG1 THR 23 -3.560 -6.668 -9.770 188 HG21 THR 23 HG21 THR 23 -4.598 -8.743 -9.490 189 HG22 THR 23 HG22 THR 23 -5.125 -7.735 -10.852 190 HG23 THR 23 HG23 THR 23 -4.715 -9.438 -11.124 191 H ASN 24 H ASN 24 -0.151 -9.258 -8.879 192 HA ASN 24 HA ASN 24 1.878 -8.473 -8.522 193 HB2 ASN 24 HB2 ASN 24 2.358 -8.766 -11.503 194 HB3 ASN 24 HB3 ASN 24 3.601 -8.519 -10.269 195 HD21 ASN 24 HD21 ASN 24 2.244 -10.900 -12.101 196 HD22 ASN 24 HD22 ASN 24 2.573 -12.255 -11.018 197 H ALA 25 H ALA 25 -0.397 -6.530 -9.451 198 HA ALA 25 HA ALA 25 1.013 -4.111 -10.169 199 HB1 ALA 25 HB1 ALA 25 -1.409 -4.448 -10.541 200 HB2 ALA 25 HB2 ALA 25 -1.674 -4.495 -8.783 201 HB3 ALA 25 HB3 ALA 25 -1.092 -3.009 -9.555 202 H SER 26 H SER 26 1.499 -2.287 -8.839 203 HA SER 26 HA SER 26 1.613 -2.656 -5.905 204 HB2 SER 26 HB2 SER 26 3.954 -1.861 -5.817 205 HB3 SER 26 HB3 SER 26 3.771 -3.458 -6.539 206 HG SER 26 HG SER 26 4.061 -1.014 -7.983 207 H GLN 27 H GLN 27 1.556 -0.754 -4.704 208 HA GLN 27 HA GLN 27 1.778 1.876 -6.002 209 HB2 GLN 27 HB2 GLN 27 -0.825 0.591 -5.445 210 HB3 GLN 27 HB3 GLN 27 -0.655 2.104 -4.582 211 HG2 GLN 27 HG2 GLN 27 -0.256 1.806 -7.576 212 HG3 GLN 27 HG3 GLN 27 -1.734 2.348 -6.788 213 HE21 GLN 27 HE21 GLN 27 -0.800 4.083 -8.605 214 HE22 GLN 27 HE22 GLN 27 -0.012 5.448 -7.805 215 H PHE 28 H PHE 28 2.066 3.585 -4.609 216 HA PHE 28 HA PHE 28 2.735 2.941 -1.801 217 HB2 PHE 28 HB2 PHE 28 3.210 5.387 -3.499 218 HB3 PHE 28 HB3 PHE 28 3.445 5.367 -1.748 219 HD1 PHE 28 HD1 PHE 28 5.167 3.894 -0.680 220 HD2 PHE 28 HD2 PHE 28 4.834 4.314 -4.963 221 HE1 PHE 28 HE1 PHE 28 7.464 2.998 -0.954 222 HE2 PHE 28 HE2 PHE 28 7.131 3.407 -5.229 223 HZ PHE 28 HZ PHE 28 8.453 2.755 -3.225 224 H GLU 29 H GLU 29 0.216 4.507 -3.605 225 HA GLU 29 HA GLU 29 -1.150 5.563 -1.213 226 HB2 GLU 29 HB2 GLU 29 -1.254 6.931 -3.166 227 HB3 GLU 29 HB3 GLU 29 -1.690 5.570 -4.187 228 HG2 GLU 29 HG2 GLU 29 -3.549 7.060 -3.939 229 HG3 GLU 29 HG3 GLU 29 -3.925 5.482 -3.276 230 H ARG 30 H ARG 30 -3.151 4.807 -0.431 231 HA ARG 30 HA ARG 30 -3.497 1.965 -0.418 232 HB2 ARG 30 HB2 ARG 30 -4.084 3.297 1.478 233 HB3 ARG 30 HB3 ARG 30 -5.301 4.197 0.579 234 HG2 ARG 30 HG2 ARG 30 -5.555 1.189 0.728 235 HG3 ARG 30 HG3 ARG 30 -5.906 2.126 2.187 236 HD2 ARG 30 HD2 ARG 30 -7.792 3.126 1.321 237 HD3 ARG 30 HD3 ARG 30 -7.208 3.085 -0.330 238 HE ARG 30 HE ARG 30 -7.996 0.947 -0.667 239 HH11 ARG 30 HH11 ARG 30 -8.544 1.694 2.722 240 HH12 ARG 30 HH12 ARG 30 -9.758 0.450 2.874 241 HH21 ARG 30 HH21 ARG 30 -9.561 -0.524 -0.420 242 HH22 ARG 30 HH22 ARG 30 -10.301 -0.799 1.136 243 HA PRO 31 HA PRO 31 -5.553 1.739 -4.367 244 HB2 PRO 31 HB2 PRO 31 -6.122 -0.945 -4.492 245 HB3 PRO 31 HB3 PRO 31 -4.468 -0.274 -4.650 246 HG2 PRO 31 HG2 PRO 31 -5.795 -1.363 -2.145 247 HG3 PRO 31 HG3 PRO 31 -4.183 -1.789 -2.806 248 HD2 PRO 31 HD2 PRO 31 -4.410 0.029 -0.847 249 HD3 PRO 31 HD3 PRO 31 -3.272 0.302 -2.201 250 H SER 32 H SER 32 -7.561 2.268 -4.979 251 HA SER 32 HA SER 32 -9.837 1.936 -3.153 252 HB2 SER 32 HB2 SER 32 -10.974 3.438 -4.738 253 HB3 SER 32 HB3 SER 32 -9.431 4.093 -4.167 254 HG SER 32 HG SER 32 -9.695 4.316 -6.436 255 H GLY 33 H GLY 33 -8.674 0.263 -5.956 256 HA2 GLY 33 HA2 GLY 33 -10.569 -1.827 -5.925 257 HA3 GLY 33 HA3 GLY 33 -11.135 -0.653 -7.110 258 H1 GAL 101 H1 GAL 34 11.936 2.011 0.779 259 H2 GAL 101 H2 GAL 34 13.755 4.277 -0.198 260 H3 GAL 101 H3 GAL 34 10.767 3.798 -0.643 261 H4 GAL 101 H4 GAL 34 11.312 3.363 -2.982 262 H5 GAL 101 H5 GAL 34 11.348 1.409 -1.521 263 H61 GAL 101 H61 GAL 34 12.756 -0.159 -2.737 264 H62 GAL 101 H62 GAL 34 12.031 0.992 -3.878 265 HO2 GAL 101 H2O GAL 34 11.713 4.146 1.813 266 HO3 GAL 101 H3O GAL 34 11.595 6.026 -0.563 267 HO4 GAL 101 H4O GAL 34 13.207 4.773 -2.882 268 HO6 GAL 101 H6O GAL 34 14.097 2.225 -3.381 Start of MODEL 14 1 H1 LYS 1 H1 LYS 1 -11.457 -3.035 4.342 2 H2 LYS 1 H2 LYS 1 -11.446 -4.309 5.365 3 H3 LYS 1 H3 LYS 1 -11.641 -4.557 3.761 4 HA LYS 1 HA LYS 1 -9.235 -3.476 5.061 5 HB2 LYS 1 HB2 LYS 1 -9.486 -5.821 5.601 6 HB3 LYS 1 HB3 LYS 1 -9.739 -6.240 3.916 7 HG2 LYS 1 HG2 LYS 1 -7.550 -6.914 4.581 8 HG3 LYS 1 HG3 LYS 1 -7.383 -5.631 3.399 9 HD2 LYS 1 HD2 LYS 1 -7.013 -4.009 5.337 10 HD3 LYS 1 HD3 LYS 1 -6.982 -5.410 6.416 11 HE2 LYS 1 HE2 LYS 1 -5.121 -4.884 4.055 12 HE3 LYS 1 HE3 LYS 1 -4.703 -4.656 5.750 13 HZ1 LYS 1 HZ1 LYS 1 -4.839 -7.013 6.097 14 HZ2 LYS 1 HZ2 LYS 1 -5.467 -7.287 4.609 15 HZ3 LYS 1 HZ3 LYS 1 -3.928 -6.800 4.743 16 H LEU 2 H LEU 2 -9.341 -5.283 2.009 17 HA LEU 2 HA LEU 2 -8.552 -2.874 0.473 18 HB2 LEU 2 HB2 LEU 2 -6.969 -5.440 0.901 19 HB3 LEU 2 HB3 LEU 2 -6.634 -4.317 -0.418 20 HG LEU 2 HG LEU 2 -6.468 -3.504 2.502 21 HD11 LEU 2 HD11 LEU 2 -4.044 -3.678 2.227 22 HD12 LEU 2 HD12 LEU 2 -4.814 -5.252 1.943 23 HD13 LEU 2 HD13 LEU 2 -4.252 -4.279 0.567 24 HD21 LEU 2 HD21 LEU 2 -5.211 -1.597 1.606 25 HD22 LEU 2 HD22 LEU 2 -5.416 -2.212 -0.048 26 HD23 LEU 2 HD23 LEU 2 -6.819 -1.642 0.886 27 HA PRO 3 HA PRO 3 -10.802 -4.776 -2.823 28 HB2 PRO 3 HB2 PRO 3 -8.811 -4.022 -4.882 29 HB3 PRO 3 HB3 PRO 3 -10.482 -3.435 -4.649 30 HG2 PRO 3 HG2 PRO 3 -8.269 -1.886 -4.115 31 HG3 PRO 3 HG3 PRO 3 -9.803 -1.746 -3.189 32 HD2 PRO 3 HD2 PRO 3 -7.293 -3.268 -2.472 33 HD3 PRO 3 HD3 PRO 3 -8.278 -2.172 -1.459 34 HA PRO 4 HA PRO 4 -9.659 -8.806 -3.883 35 HB2 PRO 4 HB2 PRO 4 -9.780 -8.231 -6.853 36 HB3 PRO 4 HB3 PRO 4 -10.472 -9.613 -5.939 37 HG2 PRO 4 HG2 PRO 4 -12.061 -7.542 -6.621 38 HG3 PRO 4 HG3 PRO 4 -12.150 -8.202 -4.952 39 HD2 PRO 4 HD2 PRO 4 -10.678 -5.741 -5.929 40 HD3 PRO 4 HD3 PRO 4 -11.705 -5.945 -4.475 41 H GLY 5 H GLY 5 -7.796 -9.742 -3.555 42 HA2 GLY 5 HA2 GLY 5 -5.698 -10.607 -3.893 43 HA3 GLY 5 HA3 GLY 5 -5.579 -9.734 -5.429 44 H TRP 6 H TRP 6 -6.224 -7.264 -3.327 45 HA TRP 6 HA TRP 6 -3.414 -6.488 -3.120 46 HB2 TRP 6 HB2 TRP 6 -5.980 -5.163 -2.293 47 HB3 TRP 6 HB3 TRP 6 -4.387 -4.467 -1.976 48 HD1 TRP 6 HD1 TRP 6 -6.892 -5.054 -4.737 49 HE1 TRP 6 HE1 TRP 6 -6.266 -3.680 -6.816 50 HE3 TRP 6 HE3 TRP 6 -2.175 -3.679 -3.354 51 HZ2 TRP 6 HZ2 TRP 6 -3.853 -2.547 -7.908 52 HZ3 TRP 6 HZ3 TRP 6 -0.690 -2.505 -4.975 53 HH2 TRP 6 HH2 TRP 6 -1.509 -1.940 -7.249 54 H GLU 7 H GLU 7 -2.109 -6.344 -1.404 55 HA GLU 7 HA GLU 7 -3.088 -6.544 1.349 56 HB2 GLU 7 HB2 GLU 7 -2.825 -8.876 0.807 57 HB3 GLU 7 HB3 GLU 7 -1.263 -8.590 0.070 58 HG2 GLU 7 HG2 GLU 7 -1.087 -9.777 2.173 59 HG3 GLU 7 HG3 GLU 7 -0.200 -8.271 2.180 60 H LYS 8 H LYS 8 -1.524 -5.823 2.922 61 HA LYS 8 HA LYS 8 0.321 -3.781 1.925 62 HB2 LYS 8 HB2 LYS 8 -0.371 -4.775 4.697 63 HB3 LYS 8 HB3 LYS 8 1.006 -3.695 4.419 64 HG2 LYS 8 HG2 LYS 8 -0.430 -2.033 3.332 65 HG3 LYS 8 HG3 LYS 8 -1.827 -3.113 3.501 66 HD2 LYS 8 HD2 LYS 8 -1.987 -1.458 5.223 67 HD3 LYS 8 HD3 LYS 8 -1.549 -2.984 6.008 68 HE2 LYS 8 HE2 LYS 8 0.854 -2.230 6.049 69 HE3 LYS 8 HE3 LYS 8 0.371 -0.722 5.268 70 HZ1 LYS 8 HZ1 LYS 8 0.536 -0.465 7.677 71 HZ2 LYS 8 HZ2 LYS 8 -1.011 -0.232 7.210 72 HZ3 LYS 8 HZ3 LYS 8 -0.576 -1.633 7.933 73 H ARG 9 H ARG 9 2.435 -3.628 2.005 74 HA ARG 9 HA ARG 9 4.183 -5.980 2.524 75 HB2 ARG 9 HB2 ARG 9 3.190 -6.020 0.168 76 HB3 ARG 9 HB3 ARG 9 4.099 -4.547 -0.172 77 HG2 ARG 9 HG2 ARG 9 6.210 -5.737 0.110 78 HG3 ARG 9 HG3 ARG 9 5.368 -7.168 0.760 79 HD2 ARG 9 HD2 ARG 9 4.239 -7.526 -1.394 80 HD3 ARG 9 HD3 ARG 9 4.971 -6.049 -2.042 81 HE ARG 9 HE ARG 9 7.045 -7.077 -2.238 82 HH11 ARG 9 HH11 ARG 9 8.297 -8.837 -2.704 83 HH12 ARG 9 HH12 ARG 9 7.744 -10.438 -2.296 84 HH21 ARG 9 HH21 ARG 9 4.803 -9.414 -0.869 85 HH22 ARG 9 HH22 ARG 9 5.824 -10.760 -1.298 86 H MET 10 H MET 10 6.575 -5.296 2.202 87 HA MET 10 HA MET 10 7.063 -2.440 2.759 88 HB2 MET 10 HB2 MET 10 6.274 -3.480 4.920 89 HB3 MET 10 HB3 MET 10 7.655 -4.577 4.843 90 HG2 MET 10 HG2 MET 10 9.171 -2.550 4.870 91 HG3 MET 10 HG3 MET 10 7.732 -1.544 5.024 92 HE1 MET 10 HE1 MET 10 10.294 -3.872 6.709 93 HE2 MET 10 HE2 MET 10 9.560 -4.267 8.279 94 HE3 MET 10 HE3 MET 10 8.894 -4.967 6.790 95 H PHE 11 H PHE 11 9.012 -1.771 2.297 96 HA PHE 11 HA PHE 11 10.947 -3.472 0.970 97 HB2 PHE 11 HB2 PHE 11 10.825 -0.535 1.639 98 HB3 PHE 11 HB3 PHE 11 12.202 -1.268 0.804 99 HD1 PHE 11 HD1 PHE 11 11.659 -2.641 -1.385 100 HD2 PHE 11 HD2 PHE 11 9.056 0.327 0.360 101 HE1 PHE 11 HE1 PHE 11 10.547 -2.311 -3.583 102 HE2 PHE 11 HE2 PHE 11 7.958 0.655 -1.827 103 HZ PHE 11 HZ PHE 11 8.700 -0.655 -3.811 104 H ALA 12 H ALA 12 13.273 -3.490 1.420 105 HA ALA 12 HA ALA 12 13.885 -4.404 4.040 106 HB1 ALA 12 HB1 ALA 12 15.728 -3.457 1.799 107 HB2 ALA 12 HB2 ALA 12 16.199 -4.468 3.181 108 HB3 ALA 12 HB3 ALA 12 15.057 -5.096 1.980 109 H ASN 13 H ASN 13 13.933 -1.150 2.780 110 HA ASN 13 HA ASN 13 15.540 -0.002 4.953 111 HB2 ASN 13 HB2 ASN 13 14.986 2.150 3.858 112 HB3 ASN 13 HB3 ASN 13 15.675 0.964 2.740 113 HD21 ASN 13 HD21 ASN 13 14.766 2.380 1.083 114 H GLY 14 H GLY 14 12.387 -1.172 4.925 115 HA2 GLY 14 HA2 GLY 14 10.895 -1.115 6.706 116 HA3 GLY 14 HA3 GLY 14 11.681 0.329 7.368 117 H THR 15 H THR 15 10.809 0.581 3.991 118 HA THR 15 HA THR 15 8.598 2.468 4.649 119 HB THR 15 HB THR 15 10.141 1.780 2.116 120 HG1 THR 15 HG1 THR 15 10.853 3.845 2.361 121 HG21 THR 15 HG21 THR 15 8.976 3.714 1.054 122 HG22 THR 15 HG22 THR 15 7.917 2.328 1.314 123 HG23 THR 15 HG23 THR 15 7.824 3.730 2.409 124 H VAL 16 H VAL 16 6.507 1.959 4.399 125 HA VAL 16 HA VAL 16 5.729 -0.769 3.510 126 HB VAL 16 HB VAL 16 4.362 1.439 5.090 127 HG11 VAL 16 HG11 VAL 16 2.553 0.434 3.778 128 HG12 VAL 16 HG12 VAL 16 3.102 -1.200 4.230 129 HG13 VAL 16 HG13 VAL 16 2.459 -0.083 5.456 130 HG21 VAL 16 HG21 VAL 16 5.982 0.002 6.314 131 HG22 VAL 16 HG22 VAL 16 4.319 -0.262 6.872 132 HG23 VAL 16 HG23 VAL 16 5.081 -1.442 5.790 133 H TYR 17 H TYR 17 4.245 -1.170 1.939 134 HA TYR 17 HA TYR 17 2.945 0.966 0.393 135 HB2 TYR 17 HB2 TYR 17 3.880 0.294 -1.729 136 HB3 TYR 17 HB3 TYR 17 5.175 0.759 -0.662 137 HD1 TYR 17 HD1 TYR 17 6.609 -1.060 0.444 138 HD2 TYR 17 HD2 TYR 17 3.879 -1.839 -2.809 139 HE1 TYR 17 HE1 TYR 17 7.936 -3.060 -0.200 140 HE2 TYR 17 HE2 TYR 17 5.190 -3.865 -3.420 141 HH TYR 17 HH TYR 17 8.283 -4.626 -1.816 142 H TYR 18 H TYR 18 1.743 -0.268 -1.526 143 HA TYR 18 HA TYR 18 0.351 -2.641 -0.371 144 HB2 TYR 18 HB2 TYR 18 -0.703 -0.454 -2.186 145 HB3 TYR 18 HB3 TYR 18 -1.589 -1.909 -1.705 146 HD1 TYR 18 HD1 TYR 18 -0.266 1.343 -0.565 147 HD2 TYR 18 HD2 TYR 18 -2.434 -2.206 0.588 148 HE1 TYR 18 HE1 TYR 18 -0.968 2.464 1.545 149 HE2 TYR 18 HE2 TYR 18 -3.153 -1.071 2.694 150 HH TYR 18 HH TYR 18 -2.128 2.252 3.500 151 H PHE 19 H PHE 19 0.104 -4.470 -1.544 152 HA PHE 19 HA PHE 19 1.077 -4.524 -4.356 153 HB2 PHE 19 HB2 PHE 19 3.012 -4.994 -3.073 154 HB3 PHE 19 HB3 PHE 19 2.143 -6.171 -2.073 155 HD1 PHE 19 HD1 PHE 19 3.151 -5.427 -5.563 156 HD2 PHE 19 HD2 PHE 19 2.048 -8.510 -2.758 157 HE1 PHE 19 HE1 PHE 19 3.626 -7.114 -7.265 158 HE2 PHE 19 HE2 PHE 19 2.605 -10.236 -4.453 159 HZ PHE 19 HZ PHE 19 3.384 -9.561 -6.719 160 H ASN 20 H ASN 20 0.087 -5.844 -5.749 161 HA ASN 20 HA ASN 20 -2.199 -7.420 -4.697 162 HB2 ASN 20 HB2 ASN 20 -2.506 -5.581 -6.410 163 HB3 ASN 20 HB3 ASN 20 -1.666 -6.623 -7.569 164 HD21 ASN 20 HD21 ASN 20 -4.675 -5.706 -6.732 165 HD22 ASN 20 HD22 ASN 20 -5.555 -7.201 -6.978 166 H HIS 21 H HIS 21 -1.822 -9.528 -4.361 167 HA HIS 21 HA HIS 21 0.473 -10.855 -5.580 168 HB2 HIS 21 HB2 HIS 21 0.238 -12.436 -3.996 169 HB3 HIS 21 HB3 HIS 21 -0.580 -11.111 -3.175 170 HD2 HIS 21 HD2 HIS 21 -3.328 -11.337 -2.945 171 HE1 HIS 21 HE1 HIS 21 -3.500 -15.482 -3.922 172 HE2 HIS 21 HE2 HIS 21 -4.789 -13.525 -2.927 173 H ILE 22 H ILE 22 -2.818 -10.543 -6.528 174 HA ILE 22 HA ILE 22 -2.953 -12.990 -8.159 175 HB ILE 22 HB ILE 22 -4.788 -10.567 -7.932 176 HG12 ILE 22 HG12 ILE 22 -4.570 -11.821 -5.778 177 HG13 ILE 22 HG13 ILE 22 -6.194 -11.811 -6.448 178 HG21 ILE 22 HG21 ILE 22 -5.243 -11.614 -10.025 179 HG22 ILE 22 HG22 ILE 22 -5.236 -13.234 -9.301 180 HG23 ILE 22 HG23 ILE 22 -6.528 -12.075 -8.906 181 HD11 ILE 22 HD11 ILE 22 -5.909 -14.140 -7.229 182 HD12 ILE 22 HD12 ILE 22 -4.241 -14.144 -6.597 183 HD13 ILE 22 HD13 ILE 22 -5.622 -13.979 -5.494 184 H THR 23 H THR 23 -2.540 -9.498 -8.633 185 HA THR 23 HA THR 23 -2.187 -9.868 -11.558 186 HB THR 23 HB THR 23 -3.001 -7.719 -11.910 187 HG1 THR 23 HG1 THR 23 -3.575 -6.595 -9.786 188 HG21 THR 23 HG21 THR 23 -4.796 -9.320 -11.167 189 HG22 THR 23 HG22 THR 23 -4.656 -8.649 -9.525 190 HG23 THR 23 HG23 THR 23 -5.165 -7.612 -10.872 191 H ASN 24 H ASN 24 -0.208 -9.270 -8.938 192 HA ASN 24 HA ASN 24 1.841 -8.523 -8.589 193 HB2 ASN 24 HB2 ASN 24 2.265 -8.840 -11.579 194 HB3 ASN 24 HB3 ASN 24 3.539 -8.550 -10.388 195 HD21 ASN 24 HD21 ASN 24 4.249 -10.248 -9.054 196 HD22 ASN 24 HD22 ASN 24 3.683 -11.901 -9.305 197 H ALA 25 H ALA 25 -0.402 -6.523 -9.539 198 HA ALA 25 HA ALA 25 1.070 -4.123 -10.191 199 HB1 ALA 25 HB1 ALA 25 -1.030 -2.992 -9.607 200 HB2 ALA 25 HB2 ALA 25 -1.348 -4.410 -10.624 201 HB3 ALA 25 HB3 ALA 25 -1.653 -4.484 -8.873 202 H SER 26 H SER 26 1.480 -2.293 -8.797 203 HA SER 26 HA SER 26 1.488 -2.740 -5.885 204 HB2 SER 26 HB2 SER 26 3.792 -2.002 -5.593 205 HB3 SER 26 HB3 SER 26 3.690 -3.530 -6.466 206 HG SER 26 HG SER 26 4.110 -2.461 -8.376 207 H GLN 27 H GLN 27 1.510 -0.824 -4.638 208 HA GLN 27 HA GLN 27 1.597 1.813 -5.979 209 HB2 GLN 27 HB2 GLN 27 -0.863 0.726 -4.540 210 HB3 GLN 27 HB3 GLN 27 -0.514 2.452 -4.718 211 HG2 GLN 27 HG2 GLN 27 -0.477 2.226 -7.159 212 HG3 GLN 27 HG3 GLN 27 -0.961 0.523 -7.005 213 HE21 GLN 27 HE21 GLN 27 -2.522 2.582 -4.609 214 HE22 GLN 27 HE22 GLN 27 -3.988 2.839 -5.561 215 H PHE 28 H PHE 28 2.264 3.465 -4.722 216 HA PHE 28 HA PHE 28 3.012 2.955 -1.939 217 HB2 PHE 28 HB2 PHE 28 3.415 5.294 -3.782 218 HB3 PHE 28 HB3 PHE 28 3.711 5.412 -2.045 219 HD1 PHE 28 HD1 PHE 28 4.970 4.033 -5.205 220 HD2 PHE 28 HD2 PHE 28 5.466 4.078 -0.920 221 HE1 PHE 28 HE1 PHE 28 7.258 3.098 -5.460 222 HE2 PHE 28 HE2 PHE 28 7.759 3.158 -1.180 223 HZ PHE 28 HZ PHE 28 8.658 2.668 -3.449 224 H GLU 29 H GLU 29 0.223 4.123 -3.457 225 HA GLU 29 HA GLU 29 -0.878 5.249 -0.915 226 HB2 GLU 29 HB2 GLU 29 -0.744 6.859 -2.732 227 HB3 GLU 29 HB3 GLU 29 -1.649 5.779 -3.807 228 HG2 GLU 29 HG2 GLU 29 -3.643 5.983 -2.408 229 HG3 GLU 29 HG3 GLU 29 -2.747 6.917 -1.205 230 H ARG 30 H ARG 30 -2.899 4.562 -0.200 231 HA ARG 30 HA ARG 30 -3.443 1.830 -0.396 232 HB2 ARG 30 HB2 ARG 30 -3.975 3.132 1.521 233 HB3 ARG 30 HB3 ARG 30 -5.125 4.131 0.646 234 HG2 ARG 30 HG2 ARG 30 -5.579 1.143 0.763 235 HG3 ARG 30 HG3 ARG 30 -5.882 2.108 2.215 236 HD2 ARG 30 HD2 ARG 30 -7.723 3.149 1.372 237 HD3 ARG 30 HD3 ARG 30 -7.076 3.246 -0.257 238 HE ARG 30 HE ARG 30 -8.086 1.286 -0.838 239 HH11 ARG 30 HH11 ARG 30 -9.866 -1.030 0.909 240 HH12 ARG 30 HH12 ARG 30 -9.506 -0.338 -0.663 241 HH21 ARG 30 HH21 ARG 30 -7.953 1.164 2.675 242 HH22 ARG 30 HH22 ARG 30 -8.852 -0.341 2.687 243 HA PRO 31 HA PRO 31 -5.406 1.732 -4.348 244 HB2 PRO 31 HB2 PRO 31 -5.925 -0.933 -4.624 245 HB3 PRO 31 HB3 PRO 31 -4.260 -0.266 -4.575 246 HG2 PRO 31 HG2 PRO 31 -5.862 -1.423 -2.265 247 HG3 PRO 31 HG3 PRO 31 -4.196 -1.859 -2.768 248 HD2 PRO 31 HD2 PRO 31 -4.612 -0.092 -0.788 249 HD3 PRO 31 HD3 PRO 31 -3.319 0.182 -1.994 250 H SER 32 H SER 32 -7.340 1.844 -5.367 251 HA SER 32 HA SER 32 -9.840 1.394 -3.822 252 HB2 SER 32 HB2 SER 32 -10.871 2.789 -5.563 253 HB3 SER 32 HB3 SER 32 -9.525 3.606 -4.754 254 HG SER 32 HG SER 32 -9.446 3.841 -7.034 255 H GLY 33 H GLY 33 -8.061 -0.021 -6.460 256 HA2 GLY 33 HA2 GLY 33 -9.659 -2.352 -6.717 257 HA3 GLY 33 HA3 GLY 33 -10.168 -1.223 -7.971 258 H1 GAL 101 H1 GAL 34 11.940 1.600 0.517 259 H2 GAL 101 H2 GAL 34 13.395 4.107 -0.488 260 H3 GAL 101 H3 GAL 34 10.557 3.057 -0.970 261 H4 GAL 101 H4 GAL 34 11.251 2.646 -3.280 262 H5 GAL 101 H5 GAL 34 11.645 0.778 -1.786 263 H61 GAL 101 H61 GAL 34 12.507 0.313 -4.010 264 H62 GAL 101 H62 GAL 34 14.033 1.150 -3.646 265 HO2 GAL 101 H2O GAL 34 12.663 4.570 1.528 266 HO3 GAL 101 H3O GAL 34 10.908 5.394 -0.962 267 HO4 GAL 101 H4O GAL 34 12.821 4.410 -3.204 268 HO6 GAL 101 H6O GAL 34 14.176 -0.384 -1.818 Start of MODEL 15 1 H1 LYS 1 H1 LYS 1 -12.464 -5.113 4.025 2 H2 LYS 1 H2 LYS 1 -11.812 -3.721 4.577 3 H3 LYS 1 H3 LYS 1 -11.852 -5.042 5.544 4 HA LYS 1 HA LYS 1 -9.640 -4.686 4.711 5 HB2 LYS 1 HB2 LYS 1 -10.490 -6.987 5.198 6 HB3 LYS 1 HB3 LYS 1 -10.967 -7.157 3.515 7 HG2 LYS 1 HG2 LYS 1 -8.913 -8.364 4.001 8 HG3 LYS 1 HG3 LYS 1 -8.612 -7.118 2.808 9 HD2 LYS 1 HD2 LYS 1 -7.730 -5.646 4.735 10 HD3 LYS 1 HD3 LYS 1 -7.876 -7.059 5.777 11 HE2 LYS 1 HE2 LYS 1 -6.185 -6.881 3.233 12 HE3 LYS 1 HE3 LYS 1 -5.573 -6.652 4.872 13 HZ1 LYS 1 HZ1 LYS 1 -6.222 -8.947 5.367 14 HZ2 LYS 1 HZ2 LYS 1 -6.738 -9.171 3.826 15 HZ3 LYS 1 HZ3 LYS 1 -5.154 -8.874 4.129 16 H LEU 2 H LEU 2 -8.208 -5.003 2.774 17 HA LEU 2 HA LEU 2 -8.741 -3.155 0.711 18 HB2 LEU 2 HB2 LEU 2 -6.735 -5.427 1.021 19 HB3 LEU 2 HB3 LEU 2 -6.647 -4.257 -0.296 20 HG LEU 2 HG LEU 2 -6.570 -3.383 2.613 21 HD11 LEU 2 HD11 LEU 2 -4.256 -4.016 0.737 22 HD12 LEU 2 HD12 LEU 2 -4.122 -3.246 2.336 23 HD13 LEU 2 HD13 LEU 2 -4.701 -4.912 2.210 24 HD21 LEU 2 HD21 LEU 2 -7.117 -1.633 0.900 25 HD22 LEU 2 HD22 LEU 2 -5.550 -1.362 1.669 26 HD23 LEU 2 HD23 LEU 2 -5.618 -2.061 0.039 27 HA PRO 3 HA PRO 3 -10.926 -5.304 -2.434 28 HB2 PRO 3 HB2 PRO 3 -9.098 -4.404 -4.599 29 HB3 PRO 3 HB3 PRO 3 -10.819 -4.011 -4.331 30 HG2 PRO 3 HG2 PRO 3 -8.798 -2.210 -3.900 31 HG3 PRO 3 HG3 PRO 3 -10.298 -2.233 -2.904 32 HD2 PRO 3 HD2 PRO 3 -7.587 -3.396 -2.274 33 HD3 PRO 3 HD3 PRO 3 -8.690 -2.450 -1.230 34 HA PRO 4 HA PRO 4 -9.566 -9.248 -3.584 35 HB2 PRO 4 HB2 PRO 4 -9.923 -8.657 -6.533 36 HB3 PRO 4 HB3 PRO 4 -10.433 -10.105 -5.601 37 HG2 PRO 4 HG2 PRO 4 -12.236 -8.173 -6.137 38 HG3 PRO 4 HG3 PRO 4 -12.152 -8.856 -4.477 39 HD2 PRO 4 HD2 PRO 4 -10.974 -6.266 -5.512 40 HD3 PRO 4 HD3 PRO 4 -11.868 -6.575 -3.989 41 H GLY 5 H GLY 5 -7.633 -10.052 -3.396 42 HA2 GLY 5 HA2 GLY 5 -5.486 -10.724 -3.842 43 HA3 GLY 5 HA3 GLY 5 -5.505 -9.808 -5.357 44 H TRP 6 H TRP 6 -6.275 -7.399 -3.272 45 HA TRP 6 HA TRP 6 -3.522 -6.445 -3.080 46 HB2 TRP 6 HB2 TRP 6 -6.158 -5.244 -2.262 47 HB3 TRP 6 HB3 TRP 6 -4.600 -4.479 -1.940 48 HD1 TRP 6 HD1 TRP 6 -7.050 -5.167 -4.726 49 HE1 TRP 6 HE1 TRP 6 -6.370 -3.913 -6.862 50 HE3 TRP 6 HE3 TRP 6 -2.416 -3.567 -3.262 51 HZ2 TRP 6 HZ2 TRP 6 -3.997 -2.680 -7.904 52 HZ3 TRP 6 HZ3 TRP 6 -0.932 -2.394 -4.883 53 HH2 TRP 6 HH2 TRP 6 -1.703 -1.947 -7.198 54 H GLU 7 H GLU 7 -2.223 -6.195 -1.384 55 HA GLU 7 HA GLU 7 -3.170 -6.438 1.380 56 HB2 GLU 7 HB2 GLU 7 -2.658 -8.781 0.599 57 HB3 GLU 7 HB3 GLU 7 -1.007 -8.277 0.256 58 HG2 GLU 7 HG2 GLU 7 -1.241 -9.519 2.384 59 HG3 GLU 7 HG3 GLU 7 -0.570 -7.915 2.618 60 H LYS 8 H LYS 8 -1.551 -5.640 2.934 61 HA LYS 8 HA LYS 8 0.256 -3.595 1.820 62 HB2 LYS 8 HB2 LYS 8 -0.433 -4.443 4.637 63 HB3 LYS 8 HB3 LYS 8 0.957 -3.394 4.300 64 HG2 LYS 8 HG2 LYS 8 -0.448 -1.758 3.161 65 HG3 LYS 8 HG3 LYS 8 -1.860 -2.818 3.321 66 HD2 LYS 8 HD2 LYS 8 -2.054 -1.114 4.987 67 HD3 LYS 8 HD3 LYS 8 -1.657 -2.620 5.828 68 HE2 LYS 8 HE2 LYS 8 0.751 -1.889 5.926 69 HE3 LYS 8 HE3 LYS 8 0.309 -0.401 5.083 70 HZ1 LYS 8 HZ1 LYS 8 -0.734 -1.219 7.742 71 HZ2 LYS 8 HZ2 LYS 8 0.397 -0.070 7.487 72 HZ3 LYS 8 HZ3 LYS 8 -1.132 0.162 6.963 73 H ARG 9 H ARG 9 2.388 -3.488 1.874 74 HA ARG 9 HA ARG 9 4.062 -5.874 2.481 75 HB2 ARG 9 HB2 ARG 9 3.107 -5.967 0.119 76 HB3 ARG 9 HB3 ARG 9 4.050 -4.524 -0.260 77 HG2 ARG 9 HG2 ARG 9 6.132 -5.738 0.077 78 HG3 ARG 9 HG3 ARG 9 5.267 -7.117 0.803 79 HD2 ARG 9 HD2 ARG 9 4.150 -7.580 -1.336 80 HD3 ARG 9 HD3 ARG 9 4.951 -6.169 -2.071 81 HE ARG 9 HE ARG 9 6.828 -8.069 -0.905 82 HH11 ARG 9 HH11 ARG 9 7.956 -9.205 -3.940 83 HH12 ARG 9 HH12 ARG 9 8.266 -9.100 -2.229 84 HH21 ARG 9 HH21 ARG 9 4.977 -7.523 -3.842 85 HH22 ARG 9 HH22 ARG 9 6.164 -8.324 -4.829 86 H MET 10 H MET 10 6.478 -5.265 2.153 87 HA MET 10 HA MET 10 7.032 -2.419 2.711 88 HB2 MET 10 HB2 MET 10 6.192 -3.465 4.858 89 HB3 MET 10 HB3 MET 10 7.563 -4.576 4.790 90 HG2 MET 10 HG2 MET 10 9.088 -2.537 4.823 91 HG3 MET 10 HG3 MET 10 7.645 -1.548 5.021 92 HE1 MET 10 HE1 MET 10 10.269 -3.864 6.609 93 HE2 MET 10 HE2 MET 10 9.561 -4.330 8.172 94 HE3 MET 10 HE3 MET 10 8.899 -4.997 6.667 95 H PHE 11 H PHE 11 9.003 -1.802 2.266 96 HA PHE 11 HA PHE 11 10.913 -3.553 0.963 97 HB2 PHE 11 HB2 PHE 11 10.869 -0.615 1.648 98 HB3 PHE 11 HB3 PHE 11 12.223 -1.389 0.810 99 HD1 PHE 11 HD1 PHE 11 11.652 -2.710 -1.395 100 HD2 PHE 11 HD2 PHE 11 9.112 0.291 0.383 101 HE1 PHE 11 HE1 PHE 11 10.545 -2.335 -3.589 102 HE2 PHE 11 HE2 PHE 11 8.019 0.664 -1.802 103 HZ PHE 11 HZ PHE 11 8.732 -0.642 -3.799 104 H ALA 12 H ALA 12 13.226 -3.644 1.466 105 HA ALA 12 HA ALA 12 13.740 -4.593 4.091 106 HB1 ALA 12 HB1 ALA 12 14.935 -5.314 2.056 107 HB2 ALA 12 HB2 ALA 12 15.675 -3.701 1.906 108 HB3 ALA 12 HB3 ALA 12 16.070 -4.740 3.292 109 H ASN 13 H ASN 13 13.926 -1.334 2.872 110 HA ASN 13 HA ASN 13 15.530 -0.259 5.082 111 HB2 ASN 13 HB2 ASN 13 15.054 1.921 4.001 112 HB3 ASN 13 HB3 ASN 13 15.730 0.726 2.882 113 HD21 ASN 13 HD21 ASN 13 14.887 2.184 1.226 114 H GLY 14 H GLY 14 12.338 -1.322 4.981 115 HA2 GLY 14 HA2 GLY 14 10.827 -1.239 6.749 116 HA3 GLY 14 HA3 GLY 14 11.638 0.179 7.430 117 H THR 15 H THR 15 10.835 0.479 4.043 118 HA THR 15 HA THR 15 8.665 2.420 4.677 119 HB THR 15 HB THR 15 10.236 1.712 2.167 120 HG1 THR 15 HG1 THR 15 11.006 3.755 2.450 121 HG21 THR 15 HG21 THR 15 9.149 3.692 1.105 122 HG22 THR 15 HG22 THR 15 8.043 2.338 1.333 123 HG23 THR 15 HG23 THR 15 7.974 3.731 2.440 124 H VAL 16 H VAL 16 6.565 1.979 4.375 125 HA VAL 16 HA VAL 16 5.726 -0.720 3.457 126 HB VAL 16 HB VAL 16 4.382 1.521 5.011 127 HG11 VAL 16 HG11 VAL 16 3.091 -1.099 4.141 128 HG12 VAL 16 HG12 VAL 16 2.449 0.032 5.353 129 HG13 VAL 16 HG13 VAL 16 2.578 0.543 3.675 130 HG21 VAL 16 HG21 VAL 16 4.272 -0.174 6.797 131 HG22 VAL 16 HG22 VAL 16 5.044 -1.366 5.737 132 HG23 VAL 16 HG23 VAL 16 5.950 0.068 6.276 133 H TYR 17 H TYR 17 4.242 -1.073 1.870 134 HA TYR 17 HA TYR 17 3.020 1.102 0.315 135 HB2 TYR 17 HB2 TYR 17 3.957 0.421 -1.795 136 HB3 TYR 17 HB3 TYR 17 5.263 0.812 -0.715 137 HD1 TYR 17 HD1 TYR 17 6.602 -1.090 0.377 138 HD2 TYR 17 HD2 TYR 17 3.866 -1.690 -2.912 139 HE1 TYR 17 HE1 TYR 17 7.837 -3.141 -0.284 140 HE2 TYR 17 HE2 TYR 17 5.085 -3.767 -3.539 141 HH TYR 17 HH TYR 17 8.082 -4.757 -1.871 142 H TYR 18 H TYR 18 1.793 -0.109 -1.607 143 HA TYR 18 HA TYR 18 0.318 -2.426 -0.449 144 HB2 TYR 18 HB2 TYR 18 -0.650 -0.198 -2.255 145 HB3 TYR 18 HB3 TYR 18 -1.577 -1.646 -1.844 146 HD1 TYR 18 HD1 TYR 18 -0.167 1.511 -0.532 147 HD2 TYR 18 HD2 TYR 18 -2.551 -1.971 0.381 148 HE1 TYR 18 HE1 TYR 18 -0.942 2.596 1.571 149 HE2 TYR 18 HE2 TYR 18 -3.341 -0.869 2.471 150 HH TYR 18 HH TYR 18 -2.256 2.397 3.424 151 H PHE 19 H PHE 19 0.020 -4.263 -1.593 152 HA PHE 19 HA PHE 19 1.012 -4.388 -4.397 153 HB2 PHE 19 HB2 PHE 19 2.936 -4.841 -3.058 154 HB3 PHE 19 HB3 PHE 19 2.045 -6.014 -2.076 155 HD1 PHE 19 HD1 PHE 19 3.123 -5.277 -5.549 156 HD2 PHE 19 HD2 PHE 19 1.973 -8.352 -2.755 157 HE1 PHE 19 HE1 PHE 19 3.648 -6.975 -7.233 158 HE2 PHE 19 HE2 PHE 19 2.574 -10.083 -4.428 159 HZ PHE 19 HZ PHE 19 3.399 -9.415 -6.682 160 H ASN 20 H ASN 20 0.065 -5.808 -5.746 161 HA ASN 20 HA ASN 20 -2.182 -7.414 -4.630 162 HB2 ASN 20 HB2 ASN 20 -2.642 -5.587 -6.299 163 HB3 ASN 20 HB3 ASN 20 -1.764 -6.546 -7.502 164 HD21 ASN 20 HD21 ASN 20 -4.802 -5.828 -6.588 165 HD22 ASN 20 HD22 ASN 20 -5.600 -7.358 -6.911 166 H HIS 21 H HIS 21 -1.754 -9.529 -4.361 167 HA HIS 21 HA HIS 21 0.566 -10.737 -5.661 168 HB2 HIS 21 HB2 HIS 21 0.445 -12.362 -4.105 169 HB3 HIS 21 HB3 HIS 21 -0.388 -11.079 -3.232 170 HD2 HIS 21 HD2 HIS 21 -3.168 -11.361 -3.058 171 HE1 HIS 21 HE1 HIS 21 -3.185 -15.533 -3.924 172 HE2 HIS 21 HE2 HIS 21 -4.555 -13.597 -3.001 173 H ILE 22 H ILE 22 -2.749 -10.548 -6.548 174 HA ILE 22 HA ILE 22 -2.813 -12.987 -8.198 175 HB ILE 22 HB ILE 22 -4.720 -10.622 -7.969 176 HG12 ILE 22 HG12 ILE 22 -4.477 -11.839 -5.805 177 HG13 ILE 22 HG13 ILE 22 -6.096 -11.905 -6.486 178 HG21 ILE 22 HG21 ILE 22 -6.412 -12.190 -8.932 179 HG22 ILE 22 HG22 ILE 22 -5.142 -11.699 -10.054 180 HG23 ILE 22 HG23 ILE 22 -5.085 -13.313 -9.317 181 HD11 ILE 22 HD11 ILE 22 -5.706 -14.231 -7.233 182 HD12 ILE 22 HD12 ILE 22 -4.043 -14.154 -6.588 183 HD13 ILE 22 HD13 ILE 22 -5.439 -14.035 -5.497 184 H THR 23 H THR 23 -2.519 -9.479 -8.633 185 HA THR 23 HA THR 23 -2.166 -9.794 -11.563 186 HB THR 23 HB THR 23 -3.017 -7.648 -11.867 187 HG1 THR 23 HG1 THR 23 -3.599 -6.577 -9.724 188 HG21 THR 23 HG21 THR 23 -5.178 -7.607 -10.822 189 HG22 THR 23 HG22 THR 23 -4.778 -9.303 -11.142 190 HG23 THR 23 HG23 THR 23 -4.644 -8.652 -9.491 191 H ASN 24 H ASN 24 -0.197 -9.184 -8.927 192 HA ASN 24 HA ASN 24 1.834 -8.403 -8.561 193 HB2 ASN 24 HB2 ASN 24 2.299 -8.663 -11.547 194 HB3 ASN 24 HB3 ASN 24 3.550 -8.425 -10.320 195 HD21 ASN 24 HD21 ASN 24 2.504 -12.157 -11.087 196 HD22 ASN 24 HD22 ASN 24 2.161 -10.792 -12.156 197 H ALA 25 H ALA 25 -0.440 -6.449 -9.466 198 HA ALA 25 HA ALA 25 0.964 -4.026 -10.173 199 HB1 ALA 25 HB1 ALA 25 -1.148 -2.934 -9.560 200 HB2 ALA 25 HB2 ALA 25 -1.452 -4.368 -10.558 201 HB3 ALA 25 HB3 ALA 25 -1.727 -4.431 -8.801 202 H SER 26 H SER 26 1.443 -2.206 -8.845 203 HA SER 26 HA SER 26 1.559 -2.572 -5.914 204 HB2 SER 26 HB2 SER 26 3.920 -1.840 -5.827 205 HB3 SER 26 HB3 SER 26 3.698 -3.428 -6.555 206 HG SER 26 HG SER 26 4.032 -0.992 -7.999 207 H GLN 27 H GLN 27 1.528 -0.670 -4.725 208 HA GLN 27 HA GLN 27 1.773 1.966 -6.068 209 HB2 GLN 27 HB2 GLN 27 -0.727 0.971 -4.640 210 HB3 GLN 27 HB3 GLN 27 -0.329 2.687 -4.848 211 HG2 GLN 27 HG2 GLN 27 -0.375 2.493 -7.242 212 HG3 GLN 27 HG3 GLN 27 -0.790 0.765 -7.133 213 HE21 GLN 27 HE21 GLN 27 -3.882 2.874 -5.519 214 HE22 GLN 27 HE22 GLN 27 -2.372 2.643 -4.639 215 H PHE 28 H PHE 28 2.385 3.639 -4.744 216 HA PHE 28 HA PHE 28 3.122 3.031 -1.977 217 HB2 PHE 28 HB2 PHE 28 3.558 5.425 -3.731 218 HB3 PHE 28 HB3 PHE 28 3.821 5.490 -1.986 219 HD1 PHE 28 HD1 PHE 28 5.125 4.178 -5.161 220 HD2 PHE 28 HD2 PHE 28 5.549 4.118 -0.868 221 HE1 PHE 28 HE1 PHE 28 7.404 3.216 -5.397 222 HE2 PHE 28 HE2 PHE 28 7.833 3.171 -1.110 223 HZ PHE 28 HZ PHE 28 8.763 2.720 -3.374 224 H GLU 29 H GLU 29 0.334 4.252 -3.451 225 HA GLU 29 HA GLU 29 -0.814 5.125 -0.829 226 HB2 GLU 29 HB2 GLU 29 -0.715 6.905 -2.555 227 HB3 GLU 29 HB3 GLU 29 -1.619 5.881 -3.667 228 HG2 GLU 29 HG2 GLU 29 -3.029 7.613 -2.662 229 HG3 GLU 29 HG3 GLU 29 -3.606 6.010 -2.245 230 H ARG 30 H ARG 30 -3.062 4.417 -0.420 231 HA ARG 30 HA ARG 30 -3.351 1.626 -0.874 232 HB2 ARG 30 HB2 ARG 30 -5.479 1.761 0.219 233 HB3 ARG 30 HB3 ARG 30 -4.321 2.751 1.075 234 HG2 ARG 30 HG2 ARG 30 -5.404 4.718 0.627 235 HG3 ARG 30 HG3 ARG 30 -6.016 4.202 -0.952 236 HD2 ARG 30 HD2 ARG 30 -7.070 3.207 1.710 237 HD3 ARG 30 HD3 ARG 30 -7.806 4.492 0.738 238 HE ARG 30 HE ARG 30 -7.674 2.414 -1.067 239 HH11 ARG 30 HH11 ARG 30 -9.118 0.903 -1.459 240 HH12 ARG 30 HH12 ARG 30 -10.282 0.392 -0.241 241 HH21 ARG 30 HH21 ARG 30 -9.103 2.580 2.143 242 HH22 ARG 30 HH22 ARG 30 -10.252 1.321 1.769 243 HA PRO 31 HA PRO 31 -5.359 1.293 -4.809 244 HB2 PRO 31 HB2 PRO 31 -6.767 -1.041 -4.578 245 HB3 PRO 31 HB3 PRO 31 -4.975 -0.980 -4.649 246 HG2 PRO 31 HG2 PRO 31 -6.727 -1.088 -2.164 247 HG3 PRO 31 HG3 PRO 31 -5.340 -2.152 -2.573 248 HD2 PRO 31 HD2 PRO 31 -5.025 -0.022 -0.961 249 HD3 PRO 31 HD3 PRO 31 -3.777 -0.416 -2.181 250 H SER 32 H SER 32 -7.239 1.887 -5.837 251 HA SER 32 HA SER 32 -9.217 3.266 -4.268 252 HB2 SER 32 HB2 SER 32 -9.102 2.658 -7.248 253 HB3 SER 32 HB3 SER 32 -10.218 3.798 -6.472 254 HG SER 32 HG SER 32 -8.358 4.846 -7.285 255 H GLY 33 H GLY 33 -9.214 0.060 -5.659 256 HA2 GLY 33 HA2 GLY 33 -10.750 -1.682 -5.612 257 HA3 GLY 33 HA3 GLY 33 -11.738 -0.751 -4.485 258 H1 GAL 101 H1 GAL 34 12.044 1.507 0.611 259 H2 GAL 101 H2 GAL 34 13.606 3.967 -0.345 260 H3 GAL 101 H3 GAL 34 10.739 3.031 -0.884 261 H4 GAL 101 H4 GAL 34 11.453 2.618 -3.186 262 H5 GAL 101 H5 GAL 34 11.749 0.721 -1.706 263 H61 GAL 101 H61 GAL 34 12.625 0.241 -3.920 264 H62 GAL 101 H62 GAL 34 14.176 1.018 -3.529 265 HO2 GAL 101 H2O GAL 34 12.859 4.433 1.666 266 HO3 GAL 101 H3O GAL 34 11.181 5.352 -0.844 267 HO4 GAL 101 H4O GAL 34 13.090 4.318 -3.066 268 HO6 GAL 101 H6O GAL 34 14.238 -0.534 -1.713 Start of MODEL 16 1 H1 LYS 1 H1 LYS 1 -10.996 -5.945 3.346 2 H2 LYS 1 H2 LYS 1 -11.935 -4.613 3.519 3 H3 LYS 1 H3 LYS 1 -11.556 -5.520 4.822 4 HA LYS 1 HA LYS 1 -10.287 -3.505 4.841 5 HB2 LYS 1 HB2 LYS 1 -9.316 -5.624 5.780 6 HB3 LYS 1 HB3 LYS 1 -8.481 -5.886 4.250 7 HG2 LYS 1 HG2 LYS 1 -7.375 -3.578 4.610 8 HG3 LYS 1 HG3 LYS 1 -8.141 -3.563 6.197 9 HD2 LYS 1 HD2 LYS 1 -5.921 -4.303 6.550 10 HD3 LYS 1 HD3 LYS 1 -6.924 -5.754 6.700 11 HE2 LYS 1 HE2 LYS 1 -6.339 -6.367 4.339 12 HE3 LYS 1 HE3 LYS 1 -5.370 -4.891 4.213 13 HZ1 LYS 1 HZ1 LYS 1 -3.966 -5.770 6.021 14 HZ2 LYS 1 HZ2 LYS 1 -4.825 -7.163 6.040 15 HZ3 LYS 1 HZ3 LYS 1 -3.949 -6.752 4.717 16 H LEU 2 H LEU 2 -8.894 -5.449 2.149 17 HA LEU 2 HA LEU 2 -8.503 -2.951 0.567 18 HB2 LEU 2 HB2 LEU 2 -6.804 -5.446 0.909 19 HB3 LEU 2 HB3 LEU 2 -6.543 -4.299 -0.407 20 HG LEU 2 HG LEU 2 -6.459 -3.424 2.495 21 HD11 LEU 2 HD11 LEU 2 -4.019 -3.572 2.341 22 HD12 LEU 2 HD12 LEU 2 -4.751 -5.169 2.103 23 HD13 LEU 2 HD13 LEU 2 -4.146 -4.259 0.704 24 HD21 LEU 2 HD21 LEU 2 -6.744 -1.647 0.734 25 HD22 LEU 2 HD22 LEU 2 -5.212 -1.529 1.600 26 HD23 LEU 2 HD23 LEU 2 -5.253 -2.229 -0.033 27 HA PRO 3 HA PRO 3 -10.785 -4.800 -2.734 28 HB2 PRO 3 HB2 PRO 3 -8.830 -3.969 -4.806 29 HB3 PRO 3 HB3 PRO 3 -10.516 -3.437 -4.559 30 HG2 PRO 3 HG2 PRO 3 -8.367 -1.825 -4.011 31 HG3 PRO 3 HG3 PRO 3 -9.886 -1.775 -3.047 32 HD2 PRO 3 HD2 PRO 3 -7.304 -3.207 -2.413 33 HD3 PRO 3 HD3 PRO 3 -8.317 -2.177 -1.359 34 HA PRO 4 HA PRO 4 -9.655 -8.793 -3.924 35 HB2 PRO 4 HB2 PRO 4 -9.798 -8.124 -6.875 36 HB3 PRO 4 HB3 PRO 4 -10.468 -9.544 -6.004 37 HG2 PRO 4 HG2 PRO 4 -12.086 -7.469 -6.595 38 HG3 PRO 4 HG3 PRO 4 -12.148 -8.186 -4.949 39 HD2 PRO 4 HD2 PRO 4 -10.719 -5.676 -5.859 40 HD3 PRO 4 HD3 PRO 4 -11.719 -5.943 -4.397 41 H GLY 5 H GLY 5 -7.786 -9.698 -3.595 42 HA2 GLY 5 HA2 GLY 5 -5.686 -10.549 -3.936 43 HA3 GLY 5 HA3 GLY 5 -5.569 -9.669 -5.467 44 H TRP 6 H TRP 6 -6.219 -7.181 -3.408 45 HA TRP 6 HA TRP 6 -3.412 -6.414 -3.177 46 HB2 TRP 6 HB2 TRP 6 -5.977 -5.075 -2.366 47 HB3 TRP 6 HB3 TRP 6 -4.382 -4.387 -2.040 48 HD1 TRP 6 HD1 TRP 6 -6.889 -4.932 -4.798 49 HE1 TRP 6 HE1 TRP 6 -6.185 -3.686 -6.930 50 HE3 TRP 6 HE3 TRP 6 -2.133 -3.674 -3.427 51 HZ2 TRP 6 HZ2 TRP 6 -3.772 -2.550 -7.997 52 HZ3 TRP 6 HZ3 TRP 6 -0.623 -2.547 -5.050 53 HH2 TRP 6 HH2 TRP 6 -1.421 -1.983 -7.333 54 H GLU 7 H GLU 7 -2.100 -6.318 -1.464 55 HA GLU 7 HA GLU 7 -3.099 -6.483 1.283 56 HB2 GLU 7 HB2 GLU 7 -2.892 -8.826 0.737 57 HB3 GLU 7 HB3 GLU 7 -1.309 -8.579 0.031 58 HG2 GLU 7 HG2 GLU 7 -1.198 -9.765 2.139 59 HG3 GLU 7 HG3 GLU 7 -0.284 -8.274 2.169 60 H LYS 8 H LYS 8 -1.530 -5.809 2.869 61 HA LYS 8 HA LYS 8 0.358 -3.803 1.905 62 HB2 LYS 8 HB2 LYS 8 -0.359 -4.821 4.661 63 HB3 LYS 8 HB3 LYS 8 1.039 -3.764 4.405 64 HG2 LYS 8 HG2 LYS 8 -0.363 -2.065 3.327 65 HG3 LYS 8 HG3 LYS 8 -1.781 -3.119 3.493 66 HD2 LYS 8 HD2 LYS 8 -1.899 -1.470 5.225 67 HD3 LYS 8 HD3 LYS 8 -1.493 -3.009 5.998 68 HE2 LYS 8 HE2 LYS 8 0.923 -2.313 6.041 69 HE3 LYS 8 HE3 LYS 8 0.477 -0.790 5.264 70 HZ1 LYS 8 HZ1 LYS 8 -0.489 -1.684 7.928 71 HZ2 LYS 8 HZ2 LYS 8 0.651 -0.544 7.674 72 HZ3 LYS 8 HZ3 LYS 8 -0.890 -0.270 7.210 73 H ARG 9 H ARG 9 2.469 -3.669 1.984 74 HA ARG 9 HA ARG 9 4.210 -5.979 2.644 75 HB2 ARG 9 HB2 ARG 9 3.368 -6.204 0.268 76 HB3 ARG 9 HB3 ARG 9 4.183 -4.694 -0.129 77 HG2 ARG 9 HG2 ARG 9 6.351 -5.668 0.248 78 HG3 ARG 9 HG3 ARG 9 5.661 -7.095 1.049 79 HD2 ARG 9 HD2 ARG 9 5.102 -6.403 -1.865 80 HD3 ARG 9 HD3 ARG 9 6.490 -7.381 -1.336 81 HE ARG 9 HE ARG 9 3.915 -8.334 -0.316 82 HH11 ARG 9 HH11 ARG 9 4.032 -11.207 -2.193 83 HH12 ARG 9 HH12 ARG 9 3.292 -10.393 -0.843 84 HH21 ARG 9 HH21 ARG 9 6.123 -8.624 -3.022 85 HH22 ARG 9 HH22 ARG 9 5.585 -10.240 -3.398 86 H MET 10 H MET 10 6.607 -5.279 2.358 87 HA MET 10 HA MET 10 7.061 -2.401 2.799 88 HB2 MET 10 HB2 MET 10 6.248 -3.346 4.996 89 HB3 MET 10 HB3 MET 10 7.633 -4.440 4.986 90 HG2 MET 10 HG2 MET 10 9.136 -2.391 4.926 91 HG3 MET 10 HG3 MET 10 7.684 -1.402 5.052 92 HE1 MET 10 HE1 MET 10 8.940 -4.740 6.912 93 HE2 MET 10 HE2 MET 10 10.305 -3.604 6.802 94 HE3 MET 10 HE3 MET 10 9.583 -3.980 8.382 95 H PHE 11 H PHE 11 9.022 -1.754 2.324 96 HA PHE 11 HA PHE 11 10.969 -3.517 1.104 97 HB2 PHE 11 HB2 PHE 11 10.851 -0.553 1.645 98 HB3 PHE 11 HB3 PHE 11 12.232 -1.328 0.855 99 HD1 PHE 11 HD1 PHE 11 9.098 0.261 0.316 100 HD2 PHE 11 HD2 PHE 11 11.699 -2.790 -1.279 101 HE1 PHE 11 HE1 PHE 11 8.021 0.502 -1.894 102 HE2 PHE 11 HE2 PHE 11 10.608 -2.550 -3.498 103 HZ PHE 11 HZ PHE 11 8.774 -0.896 -3.814 104 H ALA 12 H ALA 12 13.283 -3.538 1.589 105 HA ALA 12 HA ALA 12 13.850 -4.325 4.261 106 HB1 ALA 12 HB1 ALA 12 15.037 -5.139 2.255 107 HB2 ALA 12 HB2 ALA 12 15.734 -3.521 1.999 108 HB3 ALA 12 HB3 ALA 12 16.172 -4.465 3.439 109 H ASN 13 H ASN 13 13.947 -1.140 2.842 110 HA ASN 13 HA ASN 13 15.545 0.099 4.969 111 HB2 ASN 13 HB2 ASN 13 15.013 2.202 3.770 112 HB3 ASN 13 HB3 ASN 13 15.699 0.959 2.712 113 HD21 ASN 13 HD21 ASN 13 14.811 2.298 0.985 114 H GLY 14 H GLY 14 12.384 -1.049 4.973 115 HA2 GLY 14 HA2 GLY 14 10.892 -0.907 6.752 116 HA3 GLY 14 HA3 GLY 14 11.675 0.569 7.340 117 H THR 15 H THR 15 10.821 0.662 3.954 118 HA THR 15 HA THR 15 8.605 2.573 4.514 119 HB THR 15 HB THR 15 10.164 1.775 2.024 120 HG1 THR 15 HG1 THR 15 10.883 3.845 2.186 121 HG21 THR 15 HG21 THR 15 7.847 3.739 2.219 122 HG22 THR 15 HG22 THR 15 9.009 3.664 0.873 123 HG23 THR 15 HG23 THR 15 7.946 2.291 1.185 124 H VAL 16 H VAL 16 6.517 2.048 4.285 125 HA VAL 16 HA VAL 16 5.737 -0.712 3.497 126 HB VAL 16 HB VAL 16 4.361 1.560 4.978 127 HG11 VAL 16 HG11 VAL 16 2.466 0.044 5.406 128 HG12 VAL 16 HG12 VAL 16 2.565 0.484 3.706 129 HG13 VAL 16 HG13 VAL 16 3.122 -1.124 4.236 130 HG21 VAL 16 HG21 VAL 16 4.325 -0.050 6.839 131 HG22 VAL 16 HG22 VAL 16 5.092 -1.279 5.817 132 HG23 VAL 16 HG23 VAL 16 5.987 0.191 6.271 133 H TYR 17 H TYR 17 4.259 -1.166 1.927 134 HA TYR 17 HA TYR 17 2.963 0.920 0.314 135 HB2 TYR 17 HB2 TYR 17 3.926 0.230 -1.780 136 HB3 TYR 17 HB3 TYR 17 5.218 0.692 -0.710 137 HD1 TYR 17 HD1 TYR 17 6.618 -1.141 0.431 138 HD2 TYR 17 HD2 TYR 17 3.916 -1.905 -2.851 139 HE1 TYR 17 HE1 TYR 17 7.924 -3.165 -0.181 140 HE2 TYR 17 HE2 TYR 17 5.205 -3.952 -3.430 141 HH TYR 17 HH TYR 17 8.250 -4.775 -1.768 142 H TYR 18 H TYR 18 1.796 -0.365 -1.579 143 HA TYR 18 HA TYR 18 0.419 -2.738 -0.406 144 HB2 TYR 18 HB2 TYR 18 -0.673 -0.543 -2.192 145 HB3 TYR 18 HB3 TYR 18 -1.548 -2.000 -1.701 146 HD1 TYR 18 HD1 TYR 18 -0.126 1.217 -0.525 147 HD2 TYR 18 HD2 TYR 18 -2.439 -2.262 0.556 148 HE1 TYR 18 HE1 TYR 18 -0.763 2.311 1.618 149 HE2 TYR 18 HE2 TYR 18 -3.109 -1.143 2.686 150 HH TYR 18 HH TYR 18 -1.909 2.095 3.582 151 H PHE 19 H PHE 19 0.173 -4.556 -1.596 152 HA PHE 19 HA PHE 19 1.130 -4.581 -4.420 153 HB2 PHE 19 HB2 PHE 19 3.057 -5.097 -3.097 154 HB3 PHE 19 HB3 PHE 19 2.164 -6.312 -2.170 155 HD1 PHE 19 HD1 PHE 19 3.352 -5.412 -5.561 156 HD2 PHE 19 HD2 PHE 19 1.912 -8.593 -3.035 157 HE1 PHE 19 HE1 PHE 19 3.835 -7.021 -7.346 158 HE2 PHE 19 HE2 PHE 19 2.480 -10.242 -4.805 159 HZ PHE 19 HZ PHE 19 3.439 -9.474 -6.969 160 H ASN 20 H ASN 20 0.123 -5.920 -5.806 161 HA ASN 20 HA ASN 20 -2.197 -7.431 -4.729 162 HB2 ASN 20 HB2 ASN 20 -2.476 -5.592 -6.441 163 HB3 ASN 20 HB3 ASN 20 -1.665 -6.652 -7.606 164 HD21 ASN 20 HD21 ASN 20 -4.647 -5.676 -6.723 165 HD22 ASN 20 HD22 ASN 20 -5.563 -7.152 -6.981 166 H HIS 21 H HIS 21 -1.897 -9.556 -4.405 167 HA HIS 21 HA HIS 21 0.351 -10.957 -5.625 168 HB2 HIS 21 HB2 HIS 21 0.045 -12.546 -4.059 169 HB3 HIS 21 HB3 HIS 21 -0.719 -11.194 -3.227 170 HD2 HIS 21 HD2 HIS 21 -3.468 -11.318 -2.985 171 HE1 HIS 21 HE1 HIS 21 -3.811 -15.437 -4.020 172 HE2 HIS 21 HE2 HIS 21 -5.016 -13.444 -2.991 173 H ILE 22 H ILE 22 -2.920 -10.531 -6.597 174 HA ILE 22 HA ILE 22 -3.115 -12.970 -8.238 175 HB ILE 22 HB ILE 22 -4.889 -10.506 -7.999 176 HG12 ILE 22 HG12 ILE 22 -4.697 -11.796 -5.854 177 HG13 ILE 22 HG13 ILE 22 -6.321 -11.705 -6.514 178 HG21 ILE 22 HG21 ILE 22 -5.403 -13.149 -9.389 179 HG22 ILE 22 HG22 ILE 22 -6.665 -11.959 -8.988 180 HG23 ILE 22 HG23 ILE 22 -5.365 -11.524 -10.099 181 HD11 ILE 22 HD11 ILE 22 -4.471 -14.118 -6.711 182 HD12 ILE 22 HD12 ILE 22 -5.834 -13.909 -5.591 183 HD13 ILE 22 HD13 ILE 22 -6.143 -14.034 -7.325 184 H THR 23 H THR 23 -2.621 -9.485 -8.682 185 HA THR 23 HA THR 23 -2.270 -9.835 -11.609 186 HB THR 23 HB THR 23 -3.036 -7.666 -11.943 187 HG1 THR 23 HG1 THR 23 -3.580 -6.544 -9.812 188 HG21 THR 23 HG21 THR 23 -4.709 -8.571 -9.560 189 HG22 THR 23 HG22 THR 23 -5.194 -7.516 -10.901 190 HG23 THR 23 HG23 THR 23 -4.867 -9.230 -11.205 191 H ASN 24 H ASN 24 -0.285 -9.283 -8.973 192 HA ASN 24 HA ASN 24 1.778 -8.584 -8.616 193 HB2 ASN 24 HB2 ASN 24 2.237 -8.859 -11.602 194 HB3 ASN 24 HB3 ASN 24 3.490 -8.697 -10.364 195 HD21 ASN 24 HD21 ASN 24 1.922 -10.970 -12.213 196 HD22 ASN 24 HD22 ASN 24 2.215 -12.361 -11.166 197 H ALA 25 H ALA 25 -0.413 -6.541 -9.554 198 HA ALA 25 HA ALA 25 1.112 -4.175 -10.226 199 HB1 ALA 25 HB1 ALA 25 -1.633 -4.478 -8.937 200 HB2 ALA 25 HB2 ALA 25 -0.976 -3.004 -9.678 201 HB3 ALA 25 HB3 ALA 25 -1.305 -4.426 -10.685 202 H SER 26 H SER 26 1.511 -2.329 -8.845 203 HA SER 26 HA SER 26 1.520 -2.764 -5.924 204 HB2 SER 26 HB2 SER 26 3.810 -1.970 -5.671 205 HB3 SER 26 HB3 SER 26 3.726 -3.494 -6.556 206 HG SER 26 HG SER 26 5.155 -2.033 -7.552 207 H GLN 27 H GLN 27 1.507 -0.868 -4.670 208 HA GLN 27 HA GLN 27 1.533 1.786 -5.978 209 HB2 GLN 27 HB2 GLN 27 -0.877 0.655 -4.491 210 HB3 GLN 27 HB3 GLN 27 -0.552 2.387 -4.645 211 HG2 GLN 27 HG2 GLN 27 -0.585 2.215 -7.086 212 HG3 GLN 27 HG3 GLN 27 -1.023 0.499 -6.962 213 HE21 GLN 27 HE21 GLN 27 -2.556 2.523 -4.497 214 HE22 GLN 27 HE22 GLN 27 -4.057 2.736 -5.402 215 H PHE 28 H PHE 28 2.251 3.415 -4.711 216 HA PHE 28 HA PHE 28 3.058 2.844 -1.955 217 HB2 PHE 28 HB2 PHE 28 3.446 5.216 -3.756 218 HB3 PHE 28 HB3 PHE 28 3.779 5.293 -2.025 219 HD1 PHE 28 HD1 PHE 28 5.550 3.930 -0.967 220 HD2 PHE 28 HD2 PHE 28 4.943 3.947 -5.239 221 HE1 PHE 28 HE1 PHE 28 7.821 2.977 -1.298 222 HE2 PHE 28 HE2 PHE 28 7.208 2.979 -5.563 223 HZ PHE 28 HZ PHE 28 8.653 2.501 -3.595 224 H GLU 29 H GLU 29 0.241 4.054 -3.383 225 HA GLU 29 HA GLU 29 -0.782 5.161 -0.801 226 HB2 GLU 29 HB2 GLU 29 -0.668 6.771 -2.633 227 HB3 GLU 29 HB3 GLU 29 -1.652 5.712 -3.660 228 HG2 GLU 29 HG2 GLU 29 -3.571 5.970 -2.171 229 HG3 GLU 29 HG3 GLU 29 -2.591 6.863 -1.002 230 H ARG 30 H ARG 30 -2.755 4.464 -0.007 231 HA ARG 30 HA ARG 30 -3.351 1.739 -0.277 232 HB2 ARG 30 HB2 ARG 30 -3.724 2.986 1.730 233 HB3 ARG 30 HB3 ARG 30 -4.932 4.010 0.974 234 HG2 ARG 30 HG2 ARG 30 -5.395 1.027 0.966 235 HG3 ARG 30 HG3 ARG 30 -5.547 1.882 2.507 236 HD2 ARG 30 HD2 ARG 30 -7.456 2.985 1.922 237 HD3 ARG 30 HD3 ARG 30 -6.956 3.204 0.253 238 HE ARG 30 HE ARG 30 -7.956 1.254 -0.391 239 HH11 ARG 30 HH11 ARG 30 -7.857 1.081 3.129 240 HH12 ARG 30 HH12 ARG 30 -8.922 -0.311 3.128 241 HH21 ARG 30 HH21 ARG 30 -9.416 -0.347 -0.243 242 HH22 ARG 30 HH22 ARG 30 -9.743 -1.089 1.322 243 HA PRO 31 HA PRO 31 -5.572 1.926 -4.083 244 HB2 PRO 31 HB2 PRO 31 -6.238 -0.702 -4.471 245 HB3 PRO 31 HB3 PRO 31 -4.590 -0.007 -4.586 246 HG2 PRO 31 HG2 PRO 31 -5.866 -1.392 -2.198 247 HG3 PRO 31 HG3 PRO 31 -4.267 -1.745 -2.931 248 HD2 PRO 31 HD2 PRO 31 -4.496 -0.152 -0.760 249 HD3 PRO 31 HD3 PRO 31 -3.322 0.222 -2.057 250 H SER 32 H SER 32 -7.548 2.079 -4.987 251 HA SER 32 HA SER 32 -9.697 2.727 -5.020 252 HB2 SER 32 HB2 SER 32 -10.093 0.271 -4.812 253 HB3 SER 32 HB3 SER 32 -10.298 0.494 -3.063 254 HG SER 32 HG SER 32 -11.964 2.010 -3.573 255 H GLY 33 H GLY 33 -7.780 3.584 -2.768 256 HA2 GLY 33 HA2 GLY 33 -9.283 4.515 -0.510 257 HA3 GLY 33 HA3 GLY 33 -7.743 5.163 -1.075 258 H1 GAL 101 H1 GAL 34 11.983 1.515 0.438 259 H2 GAL 101 H2 GAL 34 13.449 3.978 -0.652 260 H3 GAL 101 H3 GAL 34 10.611 2.920 -1.109 261 H4 GAL 101 H4 GAL 34 11.313 2.423 -3.398 262 H5 GAL 101 H5 GAL 34 11.697 0.609 -1.836 263 H61 GAL 101 H61 GAL 34 12.567 0.062 -4.037 264 H62 GAL 101 H62 GAL 34 14.094 0.907 -3.696 265 HO2 GAL 101 H2O GAL 34 12.711 4.509 1.347 266 HO3 GAL 101 H3O GAL 34 10.971 5.255 -1.183 267 HO4 GAL 101 H4O GAL 34 12.887 4.185 -3.380 268 HO6 GAL 101 H6O GAL 34 14.221 -0.561 -1.813 Start of MODEL 17 1 H1 LYS 1 H1 LYS 1 -11.053 -4.677 4.285 2 H2 LYS 1 H2 LYS 1 -10.317 -5.489 5.493 3 H3 LYS 1 H3 LYS 1 -10.035 -5.912 3.938 4 HA LYS 1 HA LYS 1 -9.281 -3.359 5.217 5 HB2 LYS 1 HB2 LYS 1 -7.419 -5.543 4.206 6 HB3 LYS 1 HB3 LYS 1 -6.954 -3.993 4.911 7 HG2 LYS 1 HG2 LYS 1 -8.089 -4.762 7.065 8 HG3 LYS 1 HG3 LYS 1 -8.223 -6.365 6.320 9 HD2 LYS 1 HD2 LYS 1 -5.681 -4.806 6.942 10 HD3 LYS 1 HD3 LYS 1 -6.227 -6.307 7.700 11 HE2 LYS 1 HE2 LYS 1 -5.919 -7.513 5.537 12 HE3 LYS 1 HE3 LYS 1 -5.409 -6.003 4.772 13 HZ1 LYS 1 HZ1 LYS 1 -3.469 -7.162 5.342 14 HZ2 LYS 1 HZ2 LYS 1 -3.561 -5.940 6.414 15 HZ3 LYS 1 HZ3 LYS 1 -3.954 -7.459 6.887 16 H LEU 2 H LEU 2 -8.376 -5.275 2.329 17 HA LEU 2 HA LEU 2 -8.156 -2.777 0.724 18 HB2 LEU 2 HB2 LEU 2 -6.450 -5.287 0.849 19 HB3 LEU 2 HB3 LEU 2 -6.230 -4.011 -0.355 20 HG LEU 2 HG LEU 2 -6.054 -3.375 2.608 21 HD11 LEU 2 HD11 LEU 2 -4.445 -5.153 2.165 22 HD12 LEU 2 HD12 LEU 2 -3.821 -4.266 0.751 23 HD13 LEU 2 HD13 LEU 2 -3.619 -3.605 2.392 24 HD21 LEU 2 HD21 LEU 2 -4.751 -1.483 1.822 25 HD22 LEU 2 HD22 LEU 2 -4.795 -2.096 0.155 26 HD23 LEU 2 HD23 LEU 2 -6.280 -1.501 0.933 27 HA PRO 3 HA PRO 3 -10.655 -4.593 -2.418 28 HB2 PRO 3 HB2 PRO 3 -8.794 -3.880 -4.618 29 HB3 PRO 3 HB3 PRO 3 -10.442 -3.277 -4.286 30 HG2 PRO 3 HG2 PRO 3 -8.201 -1.738 -3.889 31 HG3 PRO 3 HG3 PRO 3 -9.655 -1.610 -2.838 32 HD2 PRO 3 HD2 PRO 3 -7.105 -3.163 -2.364 33 HD3 PRO 3 HD3 PRO 3 -7.971 -2.068 -1.248 34 HA PRO 4 HA PRO 4 -9.711 -8.664 -3.517 35 HB2 PRO 4 HB2 PRO 4 -10.146 -8.118 -6.462 36 HB3 PRO 4 HB3 PRO 4 -10.760 -9.476 -5.462 37 HG2 PRO 4 HG2 PRO 4 -12.374 -7.378 -5.992 38 HG3 PRO 4 HG3 PRO 4 -12.294 -8.022 -4.317 39 HD2 PRO 4 HD2 PRO 4 -10.894 -5.597 -5.472 40 HD3 PRO 4 HD3 PRO 4 -11.758 -5.772 -3.912 41 H GLY 5 H GLY 5 -7.825 -9.614 -3.371 42 HA2 GLY 5 HA2 GLY 5 -5.808 -10.551 -4.041 43 HA3 GLY 5 HA3 GLY 5 -5.778 -9.500 -5.467 44 H TRP 6 H TRP 6 -6.201 -7.159 -3.305 45 HA TRP 6 HA TRP 6 -3.358 -6.531 -3.150 46 HB2 TRP 6 HB2 TRP 6 -5.826 -5.099 -2.212 47 HB3 TRP 6 HB3 TRP 6 -4.190 -4.485 -1.958 48 HD1 TRP 6 HD1 TRP 6 -6.841 -4.892 -4.615 49 HE1 TRP 6 HE1 TRP 6 -6.257 -3.464 -6.670 50 HE3 TRP 6 HE3 TRP 6 -2.007 -3.767 -3.419 51 HZ2 TRP 6 HZ2 TRP 6 -3.885 -2.227 -7.771 52 HZ3 TRP 6 HZ3 TRP 6 -0.578 -2.508 -5.025 53 HH2 TRP 6 HH2 TRP 6 -1.501 -1.735 -7.193 54 H GLU 7 H GLU 7 -1.991 -6.479 -1.456 55 HA GLU 7 HA GLU 7 -2.952 -6.634 1.317 56 HB2 GLU 7 HB2 GLU 7 -2.717 -9.004 0.580 57 HB3 GLU 7 HB3 GLU 7 -1.033 -8.701 0.175 58 HG2 GLU 7 HG2 GLU 7 -1.285 -9.879 2.315 59 HG3 GLU 7 HG3 GLU 7 -0.488 -8.333 2.531 60 H LYS 8 H LYS 8 -1.315 -6.054 2.881 61 HA LYS 8 HA LYS 8 0.503 -3.979 1.996 62 HB2 LYS 8 HB2 LYS 8 -0.107 -5.229 4.682 63 HB3 LYS 8 HB3 LYS 8 1.269 -4.135 4.476 64 HG2 LYS 8 HG2 LYS 8 -0.193 -2.374 3.577 65 HG3 LYS 8 HG3 LYS 8 -1.594 -3.454 3.726 66 HD2 LYS 8 HD2 LYS 8 -1.622 -1.923 5.580 67 HD3 LYS 8 HD3 LYS 8 -1.215 -3.528 6.209 68 HE2 LYS 8 HE2 LYS 8 1.200 -2.889 6.236 69 HE3 LYS 8 HE3 LYS 8 0.785 -1.303 5.575 70 HZ1 LYS 8 HZ1 LYS 8 -0.508 -0.876 7.596 71 HZ2 LYS 8 HZ2 LYS 8 -0.131 -2.346 8.203 72 HZ3 LYS 8 HZ3 LYS 8 1.037 -1.226 7.988 73 H ARG 9 H ARG 9 2.588 -3.775 2.010 74 HA ARG 9 HA ARG 9 4.467 -6.025 2.551 75 HB2 ARG 9 HB2 ARG 9 4.460 -4.297 0.046 76 HB3 ARG 9 HB3 ARG 9 5.716 -5.461 0.470 77 HG2 ARG 9 HG2 ARG 9 2.842 -6.126 -0.250 78 HG3 ARG 9 HG3 ARG 9 4.265 -6.290 -1.293 79 HD2 ARG 9 HD2 ARG 9 5.277 -7.921 0.208 80 HD3 ARG 9 HD3 ARG 9 3.917 -7.799 1.332 81 HE ARG 9 HE ARG 9 3.952 -9.093 -1.343 82 HH11 ARG 9 HH11 ARG 9 2.538 -10.755 -1.657 83 HH12 ARG 9 HH12 ARG 9 1.215 -11.001 -0.554 84 HH21 ARG 9 HH21 ARG 9 1.997 -8.364 1.500 85 HH22 ARG 9 HH22 ARG 9 0.971 -9.749 1.219 86 H MET 10 H MET 10 6.768 -5.191 2.543 87 HA MET 10 HA MET 10 7.130 -2.331 2.998 88 HB2 MET 10 HB2 MET 10 6.292 -3.207 5.217 89 HB3 MET 10 HB3 MET 10 7.709 -4.259 5.280 90 HG2 MET 10 HG2 MET 10 9.154 -2.175 5.149 91 HG3 MET 10 HG3 MET 10 7.675 -1.219 5.192 92 HE1 MET 10 HE1 MET 10 8.970 -4.421 7.254 93 HE2 MET 10 HE2 MET 10 10.310 -3.259 7.110 94 HE3 MET 10 HE3 MET 10 9.563 -3.569 8.693 95 H PHE 11 H PHE 11 9.079 -1.677 2.480 96 HA PHE 11 HA PHE 11 11.095 -3.458 1.409 97 HB2 PHE 11 HB2 PHE 11 10.894 -0.477 1.793 98 HB3 PHE 11 HB3 PHE 11 12.319 -1.252 1.085 99 HD1 PHE 11 HD1 PHE 11 11.886 -2.822 -0.998 100 HD2 PHE 11 HD2 PHE 11 9.168 0.229 0.388 101 HE1 PHE 11 HE1 PHE 11 10.856 -2.699 -3.258 102 HE2 PHE 11 HE2 PHE 11 8.155 0.355 -1.859 103 HZ PHE 11 HZ PHE 11 8.997 -1.103 -3.697 104 H ALA 12 H ALA 12 13.403 -3.381 1.951 105 HA ALA 12 HA ALA 12 13.917 -4.028 4.670 106 HB1 ALA 12 HB1 ALA 12 15.840 -3.274 2.424 107 HB2 ALA 12 HB2 ALA 12 16.264 -4.139 3.916 108 HB3 ALA 12 HB3 ALA 12 15.180 -4.898 2.737 109 H ASN 13 H ASN 13 13.961 -0.908 3.115 110 HA ASN 13 HA ASN 13 15.473 0.476 5.212 111 HB2 ASN 13 HB2 ASN 13 14.880 2.505 3.914 112 HB3 ASN 13 HB3 ASN 13 15.635 1.247 2.924 113 HD21 ASN 13 HD21 ASN 13 14.702 2.549 1.161 114 H GLY 14 H GLY 14 12.347 -0.774 5.205 115 HA2 GLY 14 HA2 GLY 14 10.793 -0.590 6.927 116 HA3 GLY 14 HA3 GLY 14 11.522 0.928 7.475 117 H THR 15 H THR 15 10.798 0.851 4.063 118 HA THR 15 HA THR 15 8.529 2.741 4.444 119 HB THR 15 HB THR 15 10.192 1.857 2.053 120 HG1 THR 15 HG1 THR 15 10.931 3.923 2.171 121 HG21 THR 15 HG21 THR 15 9.063 3.684 0.784 122 HG22 THR 15 HG22 THR 15 8.007 2.313 1.120 123 HG23 THR 15 HG23 THR 15 7.857 3.805 2.085 124 H VAL 16 H VAL 16 6.457 2.192 4.104 125 HA VAL 16 HA VAL 16 5.764 -0.632 3.501 126 HB VAL 16 HB VAL 16 4.246 1.715 4.697 127 HG11 VAL 16 HG11 VAL 16 2.569 0.382 3.500 128 HG12 VAL 16 HG12 VAL 16 3.191 -1.109 4.250 129 HG13 VAL 16 HG13 VAL 16 2.419 0.152 5.237 130 HG21 VAL 16 HG21 VAL 16 4.254 0.329 6.735 131 HG22 VAL 16 HG22 VAL 16 5.138 -0.952 5.881 132 HG23 VAL 16 HG23 VAL 16 5.909 0.621 6.185 133 H TYR 17 H TYR 17 4.349 -1.255 1.913 134 HA TYR 17 HA TYR 17 3.094 0.686 0.100 135 HB2 TYR 17 HB2 TYR 17 4.067 -0.179 -1.922 136 HB3 TYR 17 HB3 TYR 17 5.341 0.391 -0.885 137 HD1 TYR 17 HD1 TYR 17 6.797 -1.286 0.370 138 HD2 TYR 17 HD2 TYR 17 4.042 -2.452 -2.750 139 HE1 TYR 17 HE1 TYR 17 8.131 -3.348 -0.056 140 HE2 TYR 17 HE2 TYR 17 5.368 -4.499 -3.161 141 HH TYR 17 HH TYR 17 7.257 -5.671 -2.626 142 H TYR 18 H TYR 18 1.952 -0.721 -1.707 143 HA TYR 18 HA TYR 18 0.601 -3.069 -0.435 144 HB2 TYR 18 HB2 TYR 18 -0.604 -0.924 -2.225 145 HB3 TYR 18 HB3 TYR 18 -1.448 -2.317 -1.534 146 HD1 TYR 18 HD1 TYR 18 -1.966 -2.424 0.887 147 HD2 TYR 18 HD2 TYR 18 -0.087 1.041 -0.863 148 HE1 TYR 18 HE1 TYR 18 -2.496 -1.104 2.931 149 HE2 TYR 18 HE2 TYR 18 -0.577 2.349 1.199 150 HH TYR 18 HH TYR 18 -2.321 0.913 3.976 151 H PHE 19 H PHE 19 0.206 -4.820 -1.720 152 HA PHE 19 HA PHE 19 1.075 -4.782 -4.578 153 HB2 PHE 19 HB2 PHE 19 2.998 -5.456 -3.289 154 HB3 PHE 19 HB3 PHE 19 2.035 -6.668 -2.423 155 HD1 PHE 19 HD1 PHE 19 3.181 -5.659 -5.800 156 HD2 PHE 19 HD2 PHE 19 1.769 -8.907 -3.347 157 HE1 PHE 19 HE1 PHE 19 3.627 -7.211 -7.639 158 HE2 PHE 19 HE2 PHE 19 2.309 -10.504 -5.171 159 HZ PHE 19 HZ PHE 19 3.232 -9.676 -7.326 160 H ASN 20 H ASN 20 -0.129 -5.953 -5.957 161 HA ASN 20 HA ASN 20 -2.393 -7.512 -4.833 162 HB2 ASN 20 HB2 ASN 20 -2.766 -5.623 -6.478 163 HB3 ASN 20 HB3 ASN 20 -2.000 -6.644 -7.707 164 HD21 ASN 20 HD21 ASN 20 -5.862 -7.240 -6.799 165 HD22 ASN 20 HD22 ASN 20 -4.957 -5.767 -6.477 166 H HIS 21 H HIS 21 -2.124 -9.651 -4.634 167 HA HIS 21 HA HIS 21 0.111 -11.009 -5.887 168 HB2 HIS 21 HB2 HIS 21 -0.323 -12.732 -4.469 169 HB3 HIS 21 HB3 HIS 21 -1.022 -11.393 -3.559 170 HD2 HIS 21 HD2 HIS 21 -3.634 -11.531 -3.031 171 HE1 HIS 21 HE1 HIS 21 -4.433 -15.273 -4.907 172 HE2 HIS 21 HE2 HIS 21 -5.376 -13.477 -3.370 173 H ILE 22 H ILE 22 -3.196 -10.579 -6.880 174 HA ILE 22 HA ILE 22 -3.316 -12.930 -8.624 175 HB ILE 22 HB ILE 22 -5.177 -10.522 -8.416 176 HG12 ILE 22 HG12 ILE 22 -5.270 -13.182 -6.908 177 HG13 ILE 22 HG13 ILE 22 -4.961 -11.588 -6.204 178 HG21 ILE 22 HG21 ILE 22 -5.465 -11.860 -10.479 179 HG22 ILE 22 HG22 ILE 22 -5.663 -13.329 -9.497 180 HG23 ILE 22 HG23 ILE 22 -6.855 -12.010 -9.424 181 HD11 ILE 22 HD11 ILE 22 -7.268 -10.875 -6.909 182 HD12 ILE 22 HD12 ILE 22 -7.588 -12.575 -7.345 183 HD13 ILE 22 HD13 ILE 22 -7.194 -12.149 -5.674 184 H THR 23 H THR 23 -2.894 -9.425 -8.954 185 HA THR 23 HA THR 23 -2.556 -9.655 -11.893 186 HB THR 23 HB THR 23 -3.273 -7.445 -12.106 187 HG1 THR 23 HG1 THR 23 -3.800 -6.447 -9.910 188 HG21 THR 23 HG21 THR 23 -5.121 -9.039 -11.443 189 HG22 THR 23 HG22 THR 23 -4.955 -8.451 -9.773 190 HG23 THR 23 HG23 THR 23 -5.432 -7.334 -11.067 191 H ASN 24 H ASN 24 -0.547 -9.277 -9.248 192 HA ASN 24 HA ASN 24 1.530 -8.632 -8.863 193 HB2 ASN 24 HB2 ASN 24 1.976 -8.787 -11.861 194 HB3 ASN 24 HB3 ASN 24 3.235 -8.706 -10.621 195 HD21 ASN 24 HD21 ASN 24 1.579 -10.859 -12.553 196 HD22 ASN 24 HD22 ASN 24 1.862 -12.303 -11.573 197 H ALA 25 H ALA 25 -0.624 -6.512 -9.660 198 HA ALA 25 HA ALA 25 0.912 -4.150 -10.298 199 HB1 ALA 25 HB1 ALA 25 -1.532 -4.326 -10.629 200 HB2 ALA 25 HB2 ALA 25 -1.763 -4.446 -8.868 201 HB3 ALA 25 HB3 ALA 25 -1.112 -2.958 -9.582 202 H SER 26 H SER 26 1.525 -2.420 -8.902 203 HA SER 26 HA SER 26 1.572 -2.898 -5.994 204 HB2 SER 26 HB2 SER 26 3.909 -2.183 -5.768 205 HB3 SER 26 HB3 SER 26 3.737 -3.738 -6.571 206 HG SER 26 HG SER 26 4.139 -2.762 -8.537 207 H GLN 27 H GLN 27 1.687 -1.007 -4.722 208 HA GLN 27 HA GLN 27 1.911 1.635 -5.978 209 HB2 GLN 27 HB2 GLN 27 -0.713 0.416 -5.406 210 HB3 GLN 27 HB3 GLN 27 -0.484 1.886 -4.485 211 HG2 GLN 27 HG2 GLN 27 -0.164 1.697 -7.500 212 HG3 GLN 27 HG3 GLN 27 -1.603 2.253 -6.655 213 HE21 GLN 27 HE21 GLN 27 -0.640 4.013 -8.442 214 HE22 GLN 27 HE22 GLN 27 0.203 5.327 -7.612 215 H PHE 28 H PHE 28 2.300 3.295 -4.571 216 HA PHE 28 HA PHE 28 3.043 2.612 -1.793 217 HB2 PHE 28 HB2 PHE 28 3.460 5.080 -3.487 218 HB3 PHE 28 HB3 PHE 28 3.793 5.023 -1.753 219 HD1 PHE 28 HD1 PHE 28 4.953 3.952 -5.068 220 HD2 PHE 28 HD2 PHE 28 5.595 3.598 -0.816 221 HE1 PHE 28 HE1 PHE 28 7.228 3.043 -5.485 222 HE2 PHE 28 HE2 PHE 28 7.876 2.710 -1.242 223 HZ PHE 28 HZ PHE 28 8.695 2.428 -3.571 224 H GLU 29 H GLU 29 0.530 4.309 -3.520 225 HA GLU 29 HA GLU 29 -0.749 5.406 -1.095 226 HB2 GLU 29 HB2 GLU 29 -0.738 6.648 -3.210 227 HB3 GLU 29 HB3 GLU 29 -1.597 5.324 -4.019 228 HG2 GLU 29 HG2 GLU 29 -3.563 5.681 -2.612 229 HG3 GLU 29 HG3 GLU 29 -2.698 6.876 -1.641 230 H ARG 30 H ARG 30 -2.687 4.633 -0.182 231 HA ARG 30 HA ARG 30 -3.144 1.830 -0.253 232 HB2 ARG 30 HB2 ARG 30 -3.566 3.092 1.696 233 HB3 ARG 30 HB3 ARG 30 -4.772 4.105 0.911 234 HG2 ARG 30 HG2 ARG 30 -5.206 1.111 0.990 235 HG3 ARG 30 HG3 ARG 30 -5.427 2.039 2.480 236 HD2 ARG 30 HD2 ARG 30 -7.340 3.048 1.789 237 HD3 ARG 30 HD3 ARG 30 -6.775 3.256 0.141 238 HE ARG 30 HE ARG 30 -7.723 1.272 -0.511 239 HH11 ARG 30 HH11 ARG 30 -9.597 -1.013 1.187 240 HH12 ARG 30 HH12 ARG 30 -9.201 -0.309 -0.375 241 HH21 ARG 30 HH21 ARG 30 -7.671 1.114 3.010 242 HH22 ARG 30 HH22 ARG 30 -8.690 -0.316 2.990 243 HA PRO 31 HA PRO 31 -5.234 1.767 -4.140 244 HB2 PRO 31 HB2 PRO 31 -5.818 -0.902 -4.388 245 HB3 PRO 31 HB3 PRO 31 -4.152 -0.243 -4.461 246 HG2 PRO 31 HG2 PRO 31 -5.580 -1.404 -2.042 247 HG3 PRO 31 HG3 PRO 31 -3.956 -1.837 -2.670 248 HD2 PRO 31 HD2 PRO 31 -4.213 -0.079 -0.656 249 HD3 PRO 31 HD3 PRO 31 -3.030 0.215 -1.964 250 H SER 32 H SER 32 -7.215 1.949 -5.051 251 HA SER 32 HA SER 32 -9.646 1.496 -3.396 252 HB2 SER 32 HB2 SER 32 -10.731 2.985 -5.020 253 HB3 SER 32 HB3 SER 32 -9.321 3.738 -4.255 254 HG SER 32 HG SER 32 -9.362 4.062 -6.525 255 H GLY 33 H GLY 33 -8.035 0.137 -6.161 256 HA2 GLY 33 HA2 GLY 33 -9.684 -2.150 -6.408 257 HA3 GLY 33 HA3 GLY 33 -10.250 -0.976 -7.597 258 H1 GAL 101 H1 GAL 34 11.896 1.692 0.582 259 H2 GAL 101 H2 GAL 34 13.491 4.068 -0.516 260 H3 GAL 101 H3 GAL 34 10.698 3.114 -1.327 261 H4 GAL 101 H4 GAL 34 11.679 2.453 -3.483 262 H5 GAL 101 H5 GAL 34 11.637 0.751 -1.714 263 H61 GAL 101 H61 GAL 34 13.260 -0.829 -2.519 264 H62 GAL 101 H62 GAL 34 12.729 0.137 -3.912 265 HO2 GAL 101 H2O GAL 34 11.626 5.211 0.268 266 HO3 GAL 101 H3O GAL 34 12.360 4.937 -2.716 267 HO4 GAL 101 H4O GAL 34 14.166 2.422 -3.351 268 HO6 GAL 101 H6O GAL 34 15.098 0.496 -2.344 Start of MODEL 18 1 H1 LYS 1 H1 LYS 1 -10.858 -5.588 3.381 2 H2 LYS 1 H2 LYS 1 -12.069 -5.025 4.325 3 H3 LYS 1 H3 LYS 1 -12.184 -4.910 2.702 4 HA LYS 1 HA LYS 1 -11.713 -2.786 3.632 5 HB2 LYS 1 HB2 LYS 1 -9.568 -2.305 4.726 6 HB3 LYS 1 HB3 LYS 1 -10.659 -3.313 5.662 7 HG2 LYS 1 HG2 LYS 1 -9.313 -5.325 5.124 8 HG3 LYS 1 HG3 LYS 1 -8.195 -4.325 4.174 9 HD2 LYS 1 HD2 LYS 1 -7.701 -2.962 6.190 10 HD3 LYS 1 HD3 LYS 1 -8.740 -4.014 7.157 11 HE2 LYS 1 HE2 LYS 1 -6.261 -4.913 5.610 12 HE3 LYS 1 HE3 LYS 1 -6.286 -4.513 7.330 13 HZ1 LYS 1 HZ1 LYS 1 -7.877 -6.327 7.670 14 HZ2 LYS 1 HZ2 LYS 1 -7.823 -6.728 6.084 15 HZ3 LYS 1 HZ3 LYS 1 -6.494 -6.889 7.016 16 H LEU 2 H LEU 2 -8.899 -4.660 2.330 17 HA LEU 2 HA LEU 2 -8.467 -2.618 0.274 18 HB2 LEU 2 HB2 LEU 2 -7.146 -5.278 0.926 19 HB3 LEU 2 HB3 LEU 2 -6.650 -4.258 -0.429 20 HG LEU 2 HG LEU 2 -6.600 -3.314 2.465 21 HD11 LEU 2 HD11 LEU 2 -4.170 -3.653 2.337 22 HD12 LEU 2 HD12 LEU 2 -5.028 -5.186 2.105 23 HD13 LEU 2 HD13 LEU 2 -4.335 -4.338 0.703 24 HD21 LEU 2 HD21 LEU 2 -5.121 -1.551 1.571 25 HD22 LEU 2 HD22 LEU 2 -5.324 -2.197 -0.070 26 HD23 LEU 2 HD23 LEU 2 -6.701 -1.470 0.794 27 HA PRO 3 HA PRO 3 -10.797 -4.628 -2.961 28 HB2 PRO 3 HB2 PRO 3 -8.721 -4.083 -4.994 29 HB3 PRO 3 HB3 PRO 3 -10.365 -3.402 -4.844 30 HG2 PRO 3 HG2 PRO 3 -8.104 -1.918 -4.349 31 HG3 PRO 3 HG3 PRO 3 -9.652 -1.662 -3.474 32 HD2 PRO 3 HD2 PRO 3 -7.237 -3.256 -2.601 33 HD3 PRO 3 HD3 PRO 3 -8.172 -2.041 -1.685 34 HA PRO 4 HA PRO 4 -9.591 -8.759 -3.455 35 HB2 PRO 4 HB2 PRO 4 -9.994 -9.528 -6.094 36 HB3 PRO 4 HB3 PRO 4 -11.272 -9.298 -4.860 37 HG2 PRO 4 HG2 PRO 4 -10.316 -7.322 -6.950 38 HG3 PRO 4 HG3 PRO 4 -12.002 -7.758 -6.511 39 HD2 PRO 4 HD2 PRO 4 -10.857 -5.531 -5.538 40 HD3 PRO 4 HD3 PRO 4 -11.877 -6.545 -4.470 41 H GLY 5 H GLY 5 -7.734 -9.769 -3.373 42 HA2 GLY 5 HA2 GLY 5 -5.660 -10.617 -3.958 43 HA3 GLY 5 HA3 GLY 5 -5.665 -9.640 -5.438 44 H TRP 6 H TRP 6 -6.233 -7.231 -3.376 45 HA TRP 6 HA TRP 6 -3.417 -6.484 -3.171 46 HB2 TRP 6 HB2 TRP 6 -5.961 -5.089 -2.392 47 HB3 TRP 6 HB3 TRP 6 -4.355 -4.424 -2.092 48 HD1 TRP 6 HD1 TRP 6 -6.803 -5.120 -4.903 49 HE1 TRP 6 HE1 TRP 6 -6.154 -3.750 -6.983 50 HE3 TRP 6 HE3 TRP 6 -2.145 -3.646 -3.427 51 HZ2 TRP 6 HZ2 TRP 6 -3.793 -2.397 -7.962 52 HZ3 TRP 6 HZ3 TRP 6 -0.677 -2.379 -4.987 53 HH2 TRP 6 HH2 TRP 6 -1.490 -1.742 -7.243 54 H GLU 7 H GLU 7 -2.122 -6.338 -1.494 55 HA GLU 7 HA GLU 7 -3.056 -6.692 1.303 56 HB2 GLU 7 HB2 GLU 7 -0.850 -8.298 -0.060 57 HB3 GLU 7 HB3 GLU 7 -1.145 -8.232 1.688 58 HG2 GLU 7 HG2 GLU 7 -3.416 -9.197 1.302 59 HG3 GLU 7 HG3 GLU 7 -3.009 -9.395 -0.411 60 H LYS 8 H LYS 8 -1.476 -5.919 2.880 61 HA LYS 8 HA LYS 8 0.255 -3.744 1.919 62 HB2 LYS 8 HB2 LYS 8 -0.435 -4.787 4.670 63 HB3 LYS 8 HB3 LYS 8 0.959 -3.724 4.420 64 HG2 LYS 8 HG2 LYS 8 -0.458 -2.028 3.335 65 HG3 LYS 8 HG3 LYS 8 -1.871 -3.084 3.524 66 HD2 LYS 8 HD2 LYS 8 -1.966 -1.424 5.249 67 HD3 LYS 8 HD3 LYS 8 -1.549 -2.961 6.026 68 HE2 LYS 8 HE2 LYS 8 0.866 -2.265 6.038 69 HE3 LYS 8 HE3 LYS 8 0.416 -0.749 5.252 70 HZ1 LYS 8 HZ1 LYS 8 -0.930 -0.208 7.208 71 HZ2 LYS 8 HZ2 LYS 8 -0.525 -1.617 7.933 72 HZ3 LYS 8 HZ3 LYS 8 0.615 -0.484 7.659 73 H ARG 9 H ARG 9 2.376 -3.569 1.995 74 HA ARG 9 HA ARG 9 4.129 -5.951 2.397 75 HB2 ARG 9 HB2 ARG 9 3.127 -5.346 -0.125 76 HB3 ARG 9 HB3 ARG 9 4.523 -4.299 -0.076 77 HG2 ARG 9 HG2 ARG 9 5.549 -6.128 -0.936 78 HG3 ARG 9 HG3 ARG 9 5.721 -6.599 0.762 79 HD2 ARG 9 HD2 ARG 9 3.731 -7.567 -1.316 80 HD3 ARG 9 HD3 ARG 9 4.954 -8.513 -0.446 81 HE ARG 9 HE ARG 9 3.085 -7.394 1.427 82 HH11 ARG 9 HH11 ARG 9 1.676 -10.686 -0.274 83 HH12 ARG 9 HH12 ARG 9 3.074 -9.934 -1.017 84 HH21 ARG 9 HH21 ARG 9 1.386 -8.401 2.237 85 HH22 ARG 9 HH22 ARG 9 0.727 -9.841 1.456 86 H MET 10 H MET 10 6.504 -5.267 2.183 87 HA MET 10 HA MET 10 7.031 -2.449 2.798 88 HB2 MET 10 HB2 MET 10 6.237 -3.471 4.966 89 HB3 MET 10 HB3 MET 10 7.609 -4.580 4.889 90 HG2 MET 10 HG2 MET 10 9.143 -2.566 4.891 91 HG3 MET 10 HG3 MET 10 7.714 -1.545 5.035 92 HE1 MET 10 HE1 MET 10 9.530 -4.238 8.322 93 HE2 MET 10 HE2 MET 10 8.860 -4.952 6.841 94 HE3 MET 10 HE3 MET 10 10.265 -3.864 6.749 95 H PHE 11 H PHE 11 8.988 -1.815 2.293 96 HA PHE 11 HA PHE 11 10.889 -3.564 0.981 97 HB2 PHE 11 HB2 PHE 11 10.862 -0.613 1.631 98 HB3 PHE 11 HB3 PHE 11 12.182 -1.402 0.762 99 HD1 PHE 11 HD1 PHE 11 11.490 -2.828 -1.373 100 HD2 PHE 11 HD2 PHE 11 9.117 0.338 0.350 101 HE1 PHE 11 HE1 PHE 11 10.361 -2.471 -3.557 102 HE2 PHE 11 HE2 PHE 11 8.019 0.706 -1.820 103 HZ PHE 11 HZ PHE 11 8.635 -0.691 -3.793 104 H ALA 12 H ALA 12 13.220 -3.595 1.411 105 HA ALA 12 HA ALA 12 13.859 -4.476 4.035 106 HB1 ALA 12 HB1 ALA 12 15.680 -3.560 1.763 107 HB2 ALA 12 HB2 ALA 12 16.163 -4.554 3.154 108 HB3 ALA 12 HB3 ALA 12 15.008 -5.196 1.972 109 H ASN 13 H ASN 13 13.916 -1.231 2.729 110 HA ASN 13 HA ASN 13 15.519 -0.091 4.912 111 HB2 ASN 13 HB2 ASN 13 15.041 2.068 3.798 112 HB3 ASN 13 HB3 ASN 13 15.728 0.856 2.707 113 HD21 ASN 13 HD21 ASN 13 14.940 2.036 0.917 114 H GLY 14 H GLY 14 12.418 -1.277 4.952 115 HA2 GLY 14 HA2 GLY 14 10.900 -1.159 6.697 116 HA3 GLY 14 HA3 GLY 14 11.698 0.288 7.339 117 H THR 15 H THR 15 10.802 0.402 3.956 118 HA THR 15 HA THR 15 8.690 2.410 4.527 119 HB THR 15 HB THR 15 10.065 1.542 1.959 120 HG1 THR 15 HG1 THR 15 11.466 2.567 3.109 121 HG21 THR 15 HG21 THR 15 7.931 2.431 1.325 122 HG22 THR 15 HG22 THR 15 8.108 3.806 2.452 123 HG23 THR 15 HG23 THR 15 9.160 3.663 1.022 124 H VAL 16 H VAL 16 6.558 1.993 4.300 125 HA VAL 16 HA VAL 16 5.701 -0.737 3.498 126 HB VAL 16 HB VAL 16 4.384 1.561 4.987 127 HG11 VAL 16 HG11 VAL 16 3.066 -1.077 4.216 128 HG12 VAL 16 HG12 VAL 16 2.438 0.102 5.391 129 HG13 VAL 16 HG13 VAL 16 2.562 0.550 3.694 130 HG21 VAL 16 HG21 VAL 16 5.036 -1.310 5.790 131 HG22 VAL 16 HG22 VAL 16 5.966 0.131 6.267 132 HG23 VAL 16 HG23 VAL 16 4.298 -0.077 6.828 133 H TYR 17 H TYR 17 4.257 -1.165 1.914 134 HA TYR 17 HA TYR 17 3.016 0.948 0.288 135 HB2 TYR 17 HB2 TYR 17 3.938 0.190 -1.808 136 HB3 TYR 17 HB3 TYR 17 5.234 0.672 -0.748 137 HD1 TYR 17 HD1 TYR 17 6.653 -1.118 0.413 138 HD2 TYR 17 HD2 TYR 17 3.930 -1.982 -2.829 139 HE1 TYR 17 HE1 TYR 17 7.979 -3.143 -0.186 140 HE2 TYR 17 HE2 TYR 17 5.239 -4.006 -3.395 141 HH TYR 17 HH TYR 17 7.158 -5.188 -2.987 142 H TYR 18 H TYR 18 1.793 -0.302 -1.596 143 HA TYR 18 HA TYR 18 0.365 -2.648 -0.419 144 HB2 TYR 18 HB2 TYR 18 -0.684 -0.466 -2.249 145 HB3 TYR 18 HB3 TYR 18 -1.582 -1.890 -1.709 146 HD1 TYR 18 HD1 TYR 18 -2.362 -2.115 0.622 147 HD2 TYR 18 HD2 TYR 18 -0.228 1.390 -0.714 148 HE1 TYR 18 HE1 TYR 18 -3.048 -0.896 2.691 149 HE2 TYR 18 HE2 TYR 18 -0.894 2.593 1.360 150 HH TYR 18 HH TYR 18 -2.022 2.462 3.339 151 H PHE 19 H PHE 19 0.045 -4.439 -1.646 152 HA PHE 19 HA PHE 19 1.052 -4.498 -4.452 153 HB2 PHE 19 HB2 PHE 19 2.967 -4.962 -3.053 154 HB3 PHE 19 HB3 PHE 19 2.059 -6.192 -2.160 155 HD1 PHE 19 HD1 PHE 19 3.250 -5.263 -5.552 156 HD2 PHE 19 HD2 PHE 19 2.012 -8.490 -2.975 157 HE1 PHE 19 HE1 PHE 19 3.891 -6.871 -7.289 158 HE2 PHE 19 HE2 PHE 19 2.742 -10.129 -4.695 159 HZ PHE 19 HZ PHE 19 3.677 -9.337 -6.860 160 H ASN 20 H ASN 20 -0.058 -5.780 -5.805 161 HA ASN 20 HA ASN 20 -2.238 -7.441 -4.671 162 HB2 ASN 20 HB2 ASN 20 -2.665 -5.700 -6.454 163 HB3 ASN 20 HB3 ASN 20 -1.770 -6.736 -7.577 164 HD21 ASN 20 HD21 ASN 20 -5.623 -7.541 -6.870 165 HD22 ASN 20 HD22 ASN 20 -4.840 -5.993 -6.581 166 H HIS 21 H HIS 21 -1.837 -9.537 -4.311 167 HA HIS 21 HA HIS 21 0.564 -10.798 -5.356 168 HB2 HIS 21 HB2 HIS 21 0.163 -12.489 -3.860 169 HB3 HIS 21 HB3 HIS 21 -0.570 -11.105 -3.049 170 HD2 HIS 21 HD2 HIS 21 -3.202 -11.237 -2.573 171 HE1 HIS 21 HE1 HIS 21 -3.864 -15.167 -4.078 172 HE2 HIS 21 HE2 HIS 21 -4.882 -13.257 -2.739 173 H ILE 22 H ILE 22 -2.676 -10.643 -6.552 174 HA ILE 22 HA ILE 22 -2.544 -13.117 -8.133 175 HB ILE 22 HB ILE 22 -4.637 -10.899 -8.131 176 HG12 ILE 22 HG12 ILE 22 -4.430 -13.379 -6.360 177 HG13 ILE 22 HG13 ILE 22 -4.403 -11.690 -5.834 178 HG21 ILE 22 HG21 ILE 22 -4.723 -12.450 -10.064 179 HG22 ILE 22 HG22 ILE 22 -4.809 -13.831 -8.946 180 HG23 ILE 22 HG23 ILE 22 -6.125 -12.634 -9.029 181 HD11 ILE 22 HD11 ILE 22 -6.794 -13.212 -6.897 182 HD12 ILE 22 HD12 ILE 22 -6.525 -12.551 -5.277 183 HD13 ILE 22 HD13 ILE 22 -6.768 -11.446 -6.648 184 H THR 23 H THR 23 -2.450 -9.606 -8.646 185 HA THR 23 HA THR 23 -1.983 -9.963 -11.555 186 HB THR 23 HB THR 23 -2.897 -7.856 -11.930 187 HG1 THR 23 HG1 THR 23 -3.589 -6.791 -9.799 188 HG21 THR 23 HG21 THR 23 -4.554 -8.861 -9.580 189 HG22 THR 23 HG22 THR 23 -5.087 -7.873 -10.955 190 HG23 THR 23 HG23 THR 23 -4.615 -9.563 -11.214 191 H ASN 24 H ASN 24 -0.114 -9.252 -8.879 192 HA ASN 24 HA ASN 24 1.887 -8.409 -8.476 193 HB2 ASN 24 HB2 ASN 24 2.444 -8.655 -11.449 194 HB3 ASN 24 HB3 ASN 24 3.647 -8.435 -10.171 195 HD21 ASN 24 HD21 ASN 24 2.242 -10.773 -12.081 196 HD22 ASN 24 HD22 ASN 24 2.589 -12.157 -11.040 197 H ALA 25 H ALA 25 -0.417 -6.522 -9.458 198 HA ALA 25 HA ALA 25 0.933 -4.069 -10.161 199 HB1 ALA 25 HB1 ALA 25 -1.203 -3.024 -9.543 200 HB2 ALA 25 HB2 ALA 25 -1.477 -4.469 -10.533 201 HB3 ALA 25 HB3 ALA 25 -1.742 -4.531 -8.776 202 H SER 26 H SER 26 1.359 -2.222 -8.821 203 HA SER 26 HA SER 26 1.546 -2.628 -5.894 204 HB2 SER 26 HB2 SER 26 3.878 -1.813 -5.853 205 HB3 SER 26 HB3 SER 26 3.693 -3.395 -6.605 206 HG SER 26 HG SER 26 3.902 -0.922 -8.010 207 H GLN 27 H GLN 27 1.460 -0.751 -4.665 208 HA GLN 27 HA GLN 27 1.639 1.908 -5.954 209 HB2 GLN 27 HB2 GLN 27 -0.870 0.858 -4.576 210 HB3 GLN 27 HB3 GLN 27 -0.472 2.578 -4.701 211 HG2 GLN 27 HG2 GLN 27 -0.396 2.412 -7.148 212 HG3 GLN 27 HG3 GLN 27 -0.940 0.724 -7.044 213 HE21 GLN 27 HE21 GLN 27 -2.481 2.727 -4.604 214 HE22 GLN 27 HE22 GLN 27 -3.914 3.087 -5.572 215 H PHE 28 H PHE 28 2.238 3.559 -4.632 216 HA PHE 28 HA PHE 28 2.997 2.955 -1.867 217 HB2 PHE 28 HB2 PHE 28 3.381 5.363 -3.625 218 HB3 PHE 28 HB3 PHE 28 3.680 5.415 -1.885 219 HD1 PHE 28 HD1 PHE 28 4.934 4.161 -5.100 220 HD2 PHE 28 HD2 PHE 28 5.451 4.057 -0.818 221 HE1 PHE 28 HE1 PHE 28 7.227 3.250 -5.398 222 HE2 PHE 28 HE2 PHE 28 7.749 3.162 -1.122 223 HZ PHE 28 HZ PHE 28 8.641 2.759 -3.409 224 H GLU 29 H GLU 29 0.215 4.179 -3.362 225 HA GLU 29 HA GLU 29 -0.918 5.161 -0.784 226 HB2 GLU 29 HB2 GLU 29 -0.871 6.952 -2.337 227 HB3 GLU 29 HB3 GLU 29 -1.411 5.931 -3.657 228 HG2 GLU 29 HG2 GLU 29 -3.130 7.479 -3.060 229 HG3 GLU 29 HG3 GLU 29 -3.666 5.835 -2.778 230 H ARG 30 H ARG 30 -3.012 4.550 -0.207 231 HA ARG 30 HA ARG 30 -3.534 1.812 -0.400 232 HB2 ARG 30 HB2 ARG 30 -4.198 3.095 1.470 233 HB3 ARG 30 HB3 ARG 30 -5.276 4.113 0.527 234 HG2 ARG 30 HG2 ARG 30 -5.781 1.132 0.578 235 HG3 ARG 30 HG3 ARG 30 -6.148 2.073 2.031 236 HD2 ARG 30 HD2 ARG 30 -7.949 3.118 1.126 237 HD3 ARG 30 HD3 ARG 30 -7.197 3.307 -0.447 238 HE ARG 30 HE ARG 30 -8.042 1.298 -1.191 239 HH11 ARG 30 HH11 ARG 30 -9.886 0.074 2.102 240 HH12 ARG 30 HH12 ARG 30 -8.744 1.393 2.261 241 HH21 ARG 30 HH21 ARG 30 -10.257 -0.866 0.201 242 HH22 ARG 30 HH22 ARG 30 -9.513 -0.258 -1.277 243 HA PRO 31 HA PRO 31 -5.215 1.659 -4.486 244 HB2 PRO 31 HB2 PRO 31 -5.745 -1.015 -4.735 245 HB3 PRO 31 HB3 PRO 31 -4.084 -0.346 -4.634 246 HG2 PRO 31 HG2 PRO 31 -5.775 -1.452 -2.360 247 HG3 PRO 31 HG3 PRO 31 -4.093 -1.902 -2.789 248 HD2 PRO 31 HD2 PRO 31 -4.554 -0.101 -0.869 249 HD3 PRO 31 HD3 PRO 31 -3.244 0.173 -2.060 250 H SER 32 H SER 32 -7.089 1.820 -5.604 251 HA SER 32 HA SER 32 -9.668 1.470 -4.183 252 HB2 SER 32 HB2 SER 32 -10.573 2.808 -6.039 253 HB3 SER 32 HB3 SER 32 -9.246 3.623 -5.196 254 HG SER 32 HG SER 32 -9.049 3.751 -7.479 255 H GLY 33 H GLY 33 -7.837 -0.075 -6.728 256 HA2 GLY 33 HA2 GLY 33 -9.443 -2.402 -6.929 257 HA3 GLY 33 HA3 GLY 33 -9.945 -1.309 -8.218 258 H1 GAL 101 H1 GAL 34 12.097 1.370 0.322 259 H2 GAL 101 H2 GAL 34 13.815 3.622 -0.864 260 H3 GAL 101 H3 GAL 34 11.024 2.668 -1.689 261 H4 GAL 101 H4 GAL 34 12.034 1.882 -3.775 262 H5 GAL 101 H5 GAL 34 11.944 0.271 -1.950 263 H61 GAL 101 H61 GAL 34 13.019 -0.660 -3.921 264 H62 GAL 101 H62 GAL 34 14.579 0.066 -3.474 265 HO2 GAL 101 H2O GAL 34 12.556 4.030 1.124 266 HO3 GAL 101 H3O GAL 34 11.584 4.946 -1.938 267 HO4 GAL 101 H4O GAL 34 13.767 3.481 -3.670 268 HO6 GAL 101 H6O GAL 34 14.322 -1.142 -1.440 Start of MODEL 19 1 H1 LYS 1 H1 LYS 1 -11.655 -5.781 5.298 2 H2 LYS 1 H2 LYS 1 -11.915 -6.099 3.710 3 H3 LYS 1 H3 LYS 1 -12.049 -4.570 4.269 4 HA LYS 1 HA LYS 1 -9.724 -4.462 4.800 5 HB2 LYS 1 HB2 LYS 1 -8.197 -6.241 4.170 6 HB3 LYS 1 HB3 LYS 1 -9.378 -6.834 5.304 7 HG2 LYS 1 HG2 LYS 1 -10.402 -8.246 3.793 8 HG3 LYS 1 HG3 LYS 1 -9.995 -7.278 2.381 9 HD2 LYS 1 HD2 LYS 1 -7.883 -8.802 3.962 10 HD3 LYS 1 HD3 LYS 1 -8.788 -9.510 2.613 11 HE2 LYS 1 HE2 LYS 1 -8.013 -7.737 1.097 12 HE3 LYS 1 HE3 LYS 1 -7.112 -6.968 2.410 13 HZ1 LYS 1 HZ1 LYS 1 -5.630 -8.814 2.509 14 HZ2 LYS 1 HZ2 LYS 1 -6.554 -9.726 1.490 15 HZ3 LYS 1 HZ3 LYS 1 -5.760 -8.400 0.943 16 H LEU 2 H LEU 2 -7.909 -4.874 2.799 17 HA LEU 2 HA LEU 2 -8.481 -3.021 0.765 18 HB2 LEU 2 HB2 LEU 2 -6.472 -5.300 0.990 19 HB3 LEU 2 HB3 LEU 2 -6.393 -4.086 -0.286 20 HG LEU 2 HG LEU 2 -6.355 -3.233 2.627 21 HD11 LEU 2 HD11 LEU 2 -3.999 -4.033 0.875 22 HD12 LEU 2 HD12 LEU 2 -3.892 -3.205 2.447 23 HD13 LEU 2 HD13 LEU 2 -4.546 -4.845 2.367 24 HD21 LEU 2 HD21 LEU 2 -5.169 -2.020 0.104 25 HD22 LEU 2 HD22 LEU 2 -6.726 -1.518 0.809 26 HD23 LEU 2 HD23 LEU 2 -5.223 -1.277 1.714 27 HA PRO 3 HA PRO 3 -10.743 -5.053 -2.373 28 HB2 PRO 3 HB2 PRO 3 -8.942 -4.202 -4.578 29 HB3 PRO 3 HB3 PRO 3 -10.635 -3.739 -4.255 30 HG2 PRO 3 HG2 PRO 3 -8.515 -2.039 -3.860 31 HG3 PRO 3 HG3 PRO 3 -9.996 -1.992 -2.840 32 HD2 PRO 3 HD2 PRO 3 -7.332 -3.289 -2.277 33 HD3 PRO 3 HD3 PRO 3 -8.357 -2.303 -1.192 34 HA PRO 4 HA PRO 4 -9.550 -9.038 -3.570 35 HB2 PRO 4 HB2 PRO 4 -9.984 -8.430 -6.504 36 HB3 PRO 4 HB3 PRO 4 -10.517 -9.858 -5.555 37 HG2 PRO 4 HG2 PRO 4 -12.263 -7.859 -6.039 38 HG3 PRO 4 HG3 PRO 4 -12.157 -8.547 -4.383 39 HD2 PRO 4 HD2 PRO 4 -10.912 -6.001 -5.449 40 HD3 PRO 4 HD3 PRO 4 -11.774 -6.279 -3.903 41 H GLY 5 H GLY 5 -7.631 -9.912 -3.460 42 HA2 GLY 5 HA2 GLY 5 -5.526 -10.657 -4.064 43 HA3 GLY 5 HA3 GLY 5 -5.542 -9.590 -5.482 44 H TRP 6 H TRP 6 -6.199 -7.311 -3.314 45 HA TRP 6 HA TRP 6 -3.408 -6.500 -3.064 46 HB2 TRP 6 HB2 TRP 6 -5.981 -5.186 -2.208 47 HB3 TRP 6 HB3 TRP 6 -4.378 -4.493 -1.950 48 HD1 TRP 6 HD1 TRP 6 -6.951 -5.101 -4.652 49 HE1 TRP 6 HE1 TRP 6 -6.341 -3.793 -6.774 50 HE3 TRP 6 HE3 TRP 6 -2.219 -3.685 -3.348 51 HZ2 TRP 6 HZ2 TRP 6 -3.942 -2.653 -7.910 52 HZ3 TRP 6 HZ3 TRP 6 -0.759 -2.524 -5.000 53 HH2 TRP 6 HH2 TRP 6 -1.604 -2.001 -7.274 54 H GLU 7 H GLU 7 -2.138 -6.285 -1.313 55 HA GLU 7 HA GLU 7 -3.227 -6.441 1.394 56 HB2 GLU 7 HB2 GLU 7 -2.733 -8.828 0.694 57 HB3 GLU 7 HB3 GLU 7 -1.041 -8.381 0.508 58 HG2 GLU 7 HG2 GLU 7 -1.607 -9.551 2.657 59 HG3 GLU 7 HG3 GLU 7 -0.808 -8.002 2.876 60 H LYS 8 H LYS 8 -1.628 -5.723 3.037 61 HA LYS 8 HA LYS 8 0.179 -3.651 2.066 62 HB2 LYS 8 HB2 LYS 8 -0.436 -4.754 4.813 63 HB3 LYS 8 HB3 LYS 8 0.944 -3.677 4.543 64 HG2 LYS 8 HG2 LYS 8 -0.513 -1.962 3.548 65 HG3 LYS 8 HG3 LYS 8 -1.913 -3.031 3.747 66 HD2 LYS 8 HD2 LYS 8 -1.980 -1.430 5.520 67 HD3 LYS 8 HD3 LYS 8 -1.521 -2.980 6.242 68 HE2 LYS 8 HE2 LYS 8 0.885 -2.250 6.199 69 HE3 LYS 8 HE3 LYS 8 0.386 -0.719 5.472 70 HZ1 LYS 8 HZ1 LYS 8 -0.456 -1.679 8.155 71 HZ2 LYS 8 HZ2 LYS 8 0.659 -0.519 7.877 72 HZ3 LYS 8 HZ3 LYS 8 -0.903 -0.256 7.484 73 H ARG 9 H ARG 9 2.288 -3.488 2.104 74 HA ARG 9 HA ARG 9 4.035 -5.899 2.275 75 HB2 ARG 9 HB2 ARG 9 2.865 -5.153 -0.096 76 HB3 ARG 9 HB3 ARG 9 4.225 -4.057 -0.107 77 HG2 ARG 9 HG2 ARG 9 4.789 -6.016 -1.363 78 HG3 ARG 9 HG3 ARG 9 5.755 -6.081 0.129 79 HD2 ARG 9 HD2 ARG 9 4.239 -7.747 1.080 80 HD3 ARG 9 HD3 ARG 9 3.091 -7.513 -0.262 81 HE ARG 9 HE ARG 9 5.736 -8.341 -1.161 82 HH11 ARG 9 HH11 ARG 9 5.957 -10.302 -2.167 83 HH12 ARG 9 HH12 ARG 9 4.732 -11.526 -1.971 84 HH21 ARG 9 HH21 ARG 9 2.717 -9.639 0.061 85 HH22 ARG 9 HH22 ARG 9 2.944 -11.164 -0.756 86 H MET 10 H MET 10 6.399 -5.240 2.086 87 HA MET 10 HA MET 10 6.987 -2.441 2.761 88 HB2 MET 10 HB2 MET 10 6.209 -3.536 4.911 89 HB3 MET 10 HB3 MET 10 7.586 -4.634 4.781 90 HG2 MET 10 HG2 MET 10 9.102 -2.600 4.806 91 HG3 MET 10 HG3 MET 10 7.666 -1.604 5.025 92 HE1 MET 10 HE1 MET 10 9.612 -4.387 8.158 93 HE2 MET 10 HE2 MET 10 8.918 -5.056 6.667 94 HE3 MET 10 HE3 MET 10 10.299 -3.936 6.582 95 H PHE 11 H PHE 11 8.956 -1.822 2.276 96 HA PHE 11 HA PHE 11 10.819 -3.573 0.896 97 HB2 PHE 11 HB2 PHE 11 10.804 -0.642 1.600 98 HB3 PHE 11 HB3 PHE 11 12.148 -1.413 0.744 99 HD1 PHE 11 HD1 PHE 11 11.561 -2.712 -1.467 100 HD2 PHE 11 HD2 PHE 11 9.028 0.256 0.370 101 HE1 PHE 11 HE1 PHE 11 10.417 -2.331 -3.643 102 HE2 PHE 11 HE2 PHE 11 7.894 0.634 -1.793 103 HZ PHE 11 HZ PHE 11 8.587 -0.653 -3.812 104 H ALA 12 H ALA 12 13.143 -3.678 1.332 105 HA ALA 12 HA ALA 12 13.752 -4.612 3.948 106 HB1 ALA 12 HB1 ALA 12 15.601 -3.724 1.688 107 HB2 ALA 12 HB2 ALA 12 16.054 -4.746 3.068 108 HB3 ALA 12 HB3 ALA 12 14.883 -5.342 1.879 109 H ASN 13 H ASN 13 13.875 -1.362 2.683 110 HA ASN 13 HA ASN 13 15.542 -0.259 4.832 111 HB2 ASN 13 HB2 ASN 13 15.054 1.902 3.746 112 HB3 ASN 13 HB3 ASN 13 15.654 0.693 2.600 113 HD21 ASN 13 HD21 ASN 13 14.752 2.175 0.992 114 H GLY 14 H GLY 14 12.355 -1.339 4.848 115 HA2 GLY 14 HA2 GLY 14 10.901 -1.251 6.660 116 HA3 GLY 14 HA3 GLY 14 11.733 0.171 7.309 117 H THR 15 H THR 15 10.823 0.485 3.956 118 HA THR 15 HA THR 15 8.659 2.405 4.668 119 HB THR 15 HB THR 15 10.170 1.733 2.114 120 HG1 THR 15 HG1 THR 15 10.925 3.787 2.399 121 HG21 THR 15 HG21 THR 15 9.035 3.709 1.091 122 HG22 THR 15 HG22 THR 15 7.959 2.331 1.326 123 HG23 THR 15 HG23 THR 15 7.885 3.712 2.448 124 H VAL 16 H VAL 16 6.552 1.981 4.386 125 HA VAL 16 HA VAL 16 5.692 -0.723 3.507 126 HB VAL 16 HB VAL 16 4.379 1.527 5.071 127 HG11 VAL 16 HG11 VAL 16 2.552 0.521 3.781 128 HG12 VAL 16 HG12 VAL 16 3.079 -1.110 4.267 129 HG13 VAL 16 HG13 VAL 16 2.455 0.041 5.470 130 HG21 VAL 16 HG21 VAL 16 4.333 -0.150 6.879 131 HG22 VAL 16 HG22 VAL 16 5.082 -1.349 5.808 132 HG23 VAL 16 HG23 VAL 16 5.992 0.097 6.307 133 H TYR 17 H TYR 17 4.179 -1.089 1.952 134 HA TYR 17 HA TYR 17 2.929 1.050 0.377 135 HB2 TYR 17 HB2 TYR 17 3.889 0.404 -1.726 136 HB3 TYR 17 HB3 TYR 17 5.192 0.802 -0.645 137 HD1 TYR 17 HD1 TYR 17 6.559 -1.106 0.420 138 HD2 TYR 17 HD2 TYR 17 3.795 -1.695 -2.840 139 HE1 TYR 17 HE1 TYR 17 7.776 -3.170 -0.245 140 HE2 TYR 17 HE2 TYR 17 4.981 -3.797 -3.463 141 HH TYR 17 HH TYR 17 7.964 -4.832 -1.789 142 H TYR 18 H TYR 18 1.716 -0.222 -1.542 143 HA TYR 18 HA TYR 18 0.340 -2.591 -0.336 144 HB2 TYR 18 HB2 TYR 18 -0.733 -0.477 -2.230 145 HB3 TYR 18 HB3 TYR 18 -1.619 -1.885 -1.625 146 HD1 TYR 18 HD1 TYR 18 -2.245 -2.062 0.791 147 HD2 TYR 18 HD2 TYR 18 -0.384 1.475 -0.836 148 HE1 TYR 18 HE1 TYR 18 -2.918 -0.766 2.817 149 HE2 TYR 18 HE2 TYR 18 -1.041 2.760 1.193 150 HH TYR 18 HH TYR 18 -2.082 2.682 3.222 151 H PHE 19 H PHE 19 0.076 -4.431 -1.514 152 HA PHE 19 HA PHE 19 1.074 -4.497 -4.327 153 HB2 PHE 19 HB2 PHE 19 2.968 -5.013 -2.953 154 HB3 PHE 19 HB3 PHE 19 2.041 -6.216 -2.044 155 HD1 PHE 19 HD1 PHE 19 3.192 -5.346 -5.458 156 HD2 PHE 19 HD2 PHE 19 1.980 -8.532 -2.817 157 HE1 PHE 19 HE1 PHE 19 3.779 -6.975 -7.188 158 HE2 PHE 19 HE2 PHE 19 2.653 -10.193 -4.532 159 HZ PHE 19 HZ PHE 19 3.545 -9.437 -6.729 160 H ASN 20 H ASN 20 0.046 -5.794 -5.721 161 HA ASN 20 HA ASN 20 -2.217 -7.415 -4.680 162 HB2 ASN 20 HB2 ASN 20 -2.584 -5.604 -6.398 163 HB3 ASN 20 HB3 ASN 20 -1.674 -6.598 -7.547 164 HD21 ASN 20 HD21 ASN 20 -4.747 -5.831 -6.740 165 HD22 ASN 20 HD22 ASN 20 -5.544 -7.355 -7.079 166 H HIS 21 H HIS 21 -1.844 -9.528 -4.386 167 HA HIS 21 HA HIS 21 0.519 -10.809 -5.492 168 HB2 HIS 21 HB2 HIS 21 0.136 -12.473 -4.000 169 HB3 HIS 21 HB3 HIS 21 -0.704 -11.154 -3.190 170 HD2 HIS 21 HD2 HIS 21 -3.335 -11.443 -2.815 171 HE1 HIS 21 HE1 HIS 21 -3.763 -15.321 -4.529 172 HE2 HIS 21 HE2 HIS 21 -4.919 -13.521 -3.150 173 H ILE 22 H ILE 22 -2.763 -10.575 -6.614 174 HA ILE 22 HA ILE 22 -2.714 -12.987 -8.281 175 HB ILE 22 HB ILE 22 -4.683 -10.653 -8.164 176 HG12 ILE 22 HG12 ILE 22 -4.671 -13.338 -6.695 177 HG13 ILE 22 HG13 ILE 22 -4.527 -11.732 -5.972 178 HG21 ILE 22 HG21 ILE 22 -4.840 -11.956 -10.265 179 HG22 ILE 22 HG22 ILE 22 -5.003 -13.456 -9.322 180 HG23 ILE 22 HG23 ILE 22 -6.257 -12.195 -9.266 181 HD11 ILE 22 HD11 ILE 22 -6.857 -11.213 -6.792 182 HD12 ILE 22 HD12 ILE 22 -7.007 -12.933 -7.237 183 HD13 ILE 22 HD13 ILE 22 -6.733 -12.476 -5.550 184 H THR 23 H THR 23 -2.429 -9.481 -8.712 185 HA THR 23 HA THR 23 -1.967 -9.797 -11.626 186 HB THR 23 HB THR 23 -2.798 -7.645 -11.955 187 HG1 THR 23 HG1 THR 23 -3.455 -6.593 -9.815 188 HG21 THR 23 HG21 THR 23 -4.584 -9.305 -11.291 189 HG22 THR 23 HG22 THR 23 -4.510 -8.648 -9.639 190 HG23 THR 23 HG23 THR 23 -4.996 -7.607 -10.990 191 H ASN 24 H ASN 24 -0.084 -9.213 -8.928 192 HA ASN 24 HA ASN 24 1.938 -8.438 -8.492 193 HB2 ASN 24 HB2 ASN 24 2.504 -8.685 -11.463 194 HB3 ASN 24 HB3 ASN 24 3.711 -8.477 -10.187 195 HD21 ASN 24 HD21 ASN 24 2.288 -10.804 -12.085 196 HD22 ASN 24 HD22 ASN 24 2.604 -12.186 -11.029 197 H ALA 25 H ALA 25 -0.296 -6.474 -9.486 198 HA ALA 25 HA ALA 25 1.143 -4.052 -10.127 199 HB1 ALA 25 HB1 ALA 25 -1.260 -4.382 -10.599 200 HB2 ALA 25 HB2 ALA 25 -1.596 -4.456 -8.854 201 HB3 ALA 25 HB3 ALA 25 -0.985 -2.956 -9.583 202 H SER 26 H SER 26 1.544 -2.229 -8.749 203 HA SER 26 HA SER 26 1.534 -2.652 -5.831 204 HB2 SER 26 HB2 SER 26 3.850 -1.978 -5.539 205 HB3 SER 26 HB3 SER 26 3.722 -3.488 -6.445 206 HG SER 26 HG SER 26 4.166 -2.395 -8.329 207 H GLN 27 H GLN 27 1.526 -0.735 -4.601 208 HA GLN 27 HA GLN 27 1.681 1.896 -5.958 209 HB2 GLN 27 HB2 GLN 27 -0.810 0.876 -4.528 210 HB3 GLN 27 HB3 GLN 27 -0.445 2.589 -4.805 211 HG2 GLN 27 HG2 GLN 27 -0.459 2.289 -7.193 212 HG3 GLN 27 HG3 GLN 27 -0.844 0.561 -7.008 213 HE21 GLN 27 HE21 GLN 27 -2.496 2.583 -4.653 214 HE22 GLN 27 HE22 GLN 27 -3.997 2.709 -5.572 215 H PHE 28 H PHE 28 2.272 3.573 -4.687 216 HA PHE 28 HA PHE 28 2.944 3.086 -1.873 217 HB2 PHE 28 HB2 PHE 28 3.432 5.402 -3.729 218 HB3 PHE 28 HB3 PHE 28 3.700 5.514 -1.987 219 HD1 PHE 28 HD1 PHE 28 5.384 4.085 -0.830 220 HD2 PHE 28 HD2 PHE 28 5.012 4.171 -5.128 221 HE1 PHE 28 HE1 PHE 28 7.660 3.115 -1.051 222 HE2 PHE 28 HE2 PHE 28 7.282 3.188 -5.343 223 HZ PHE 28 HZ PHE 28 8.613 2.667 -3.307 224 H GLU 29 H GLU 29 0.231 4.252 -3.505 225 HA GLU 29 HA GLU 29 -0.993 5.345 -1.007 226 HB2 GLU 29 HB2 GLU 29 -0.923 7.082 -2.629 227 HB3 GLU 29 HB3 GLU 29 -1.383 5.995 -3.930 228 HG2 GLU 29 HG2 GLU 29 -3.156 7.536 -3.462 229 HG3 GLU 29 HG3 GLU 29 -3.671 5.887 -3.159 230 H ARG 30 H ARG 30 -3.196 4.684 -0.545 231 HA ARG 30 HA ARG 30 -3.408 1.899 -0.792 232 HB2 ARG 30 HB2 ARG 30 -5.567 2.008 0.331 233 HB3 ARG 30 HB3 ARG 30 -4.291 2.907 1.105 234 HG2 ARG 30 HG2 ARG 30 -6.275 4.134 1.369 235 HG3 ARG 30 HG3 ARG 30 -5.235 5.046 0.273 236 HD2 ARG 30 HD2 ARG 30 -7.683 5.074 -0.288 237 HD3 ARG 30 HD3 ARG 30 -6.649 4.572 -1.597 238 HE ARG 30 HE ARG 30 -7.590 2.422 -1.559 239 HH11 ARG 30 HH11 ARG 30 -8.785 4.108 1.290 240 HH12 ARG 30 HH12 ARG 30 -9.956 2.855 1.609 241 HH21 ARG 30 HH21 ARG 30 -10.094 1.081 0.283 242 HH22 ARG 30 HH22 ARG 30 -8.999 0.932 -1.088 243 HA PRO 31 HA PRO 31 -5.425 1.216 -4.686 244 HB2 PRO 31 HB2 PRO 31 -6.066 -1.409 -4.464 245 HB3 PRO 31 HB3 PRO 31 -4.362 -0.848 -4.572 246 HG2 PRO 31 HG2 PRO 31 -5.962 -1.508 -2.073 247 HG3 PRO 31 HG3 PRO 31 -4.330 -2.109 -2.513 248 HD2 PRO 31 HD2 PRO 31 -4.652 0.001 -0.857 249 HD3 PRO 31 HD3 PRO 31 -3.338 -0.030 -2.075 250 H SER 32 H SER 32 -7.462 0.818 -5.647 251 HA SER 32 HA SER 32 -9.839 0.578 -3.841 252 HB2 SER 32 HB2 SER 32 -9.432 2.610 -6.058 253 HB3 SER 32 HB3 SER 32 -10.970 2.308 -5.230 254 HG SER 32 HG SER 32 -9.798 4.043 -4.302 255 H GLY 33 H GLY 33 -8.321 -0.965 -6.308 256 HA2 GLY 33 HA2 GLY 33 -10.194 -2.875 -6.876 257 HA3 GLY 33 HA3 GLY 33 -10.576 -1.621 -8.059 258 H1 GAL 101 H1 GAL 34 11.848 1.625 0.547 259 H2 GAL 101 H2 GAL 34 13.483 4.029 -0.430 260 H3 GAL 101 H3 GAL 34 10.554 3.277 -0.907 261 H4 GAL 101 H4 GAL 34 11.173 2.886 -3.244 262 H5 GAL 101 H5 GAL 34 11.346 0.961 -1.761 263 H61 GAL 101 H61 GAL 34 12.869 -0.508 -2.946 264 H62 GAL 101 H62 GAL 34 12.089 0.587 -4.106 265 HO2 GAL 101 H2O GAL 34 12.811 4.464 1.617 266 HO3 GAL 101 H3O GAL 34 11.140 5.561 -0.830 267 HO4 GAL 101 H4O GAL 34 12.943 4.448 -3.129 268 HO6 GAL 101 H6O GAL 34 14.053 1.964 -3.588 Start of MODEL 20 1 H1 LYS 1 H1 LYS 1 -11.779 -3.283 4.159 2 H2 LYS 1 H2 LYS 1 -11.753 -4.566 5.173 3 H3 LYS 1 H3 LYS 1 -11.843 -4.807 3.557 4 HA LYS 1 HA LYS 1 -9.578 -3.606 5.001 5 HB2 LYS 1 HB2 LYS 1 -9.713 -5.957 5.513 6 HB3 LYS 1 HB3 LYS 1 -9.849 -6.386 3.811 7 HG2 LYS 1 HG2 LYS 1 -7.536 -5.629 3.405 8 HG3 LYS 1 HG3 LYS 1 -7.396 -5.088 5.088 9 HD2 LYS 1 HD2 LYS 1 -7.491 -7.360 5.898 10 HD3 LYS 1 HD3 LYS 1 -8.081 -7.960 4.344 11 HE2 LYS 1 HE2 LYS 1 -5.777 -8.603 4.557 12 HE3 LYS 1 HE3 LYS 1 -5.938 -7.415 3.264 13 HZ1 LYS 1 HZ1 LYS 1 -4.043 -6.908 4.603 14 HZ2 LYS 1 HZ2 LYS 1 -5.138 -5.720 4.862 15 HZ3 LYS 1 HZ3 LYS 1 -4.911 -6.885 5.996 16 H LEU 2 H LEU 2 -9.456 -5.377 1.929 17 HA LEU 2 HA LEU 2 -8.669 -2.926 0.461 18 HB2 LEU 2 HB2 LEU 2 -7.090 -5.497 0.880 19 HB3 LEU 2 HB3 LEU 2 -6.709 -4.338 -0.395 20 HG LEU 2 HG LEU 2 -6.695 -3.551 2.537 21 HD11 LEU 2 HD11 LEU 2 -4.373 -4.408 0.775 22 HD12 LEU 2 HD12 LEU 2 -4.258 -3.770 2.430 23 HD13 LEU 2 HD13 LEU 2 -5.037 -5.337 2.136 24 HD21 LEU 2 HD21 LEU 2 -5.340 -2.316 0.112 25 HD22 LEU 2 HD22 LEU 2 -6.879 -1.740 0.785 26 HD23 LEU 2 HD23 LEU 2 -5.413 -1.658 1.763 27 HA PRO 3 HA PRO 3 -10.854 -4.777 -2.904 28 HB2 PRO 3 HB2 PRO 3 -8.838 -3.961 -4.917 29 HB3 PRO 3 HB3 PRO 3 -10.520 -3.404 -4.708 30 HG2 PRO 3 HG2 PRO 3 -8.351 -1.833 -4.106 31 HG3 PRO 3 HG3 PRO 3 -9.896 -1.737 -3.193 32 HD2 PRO 3 HD2 PRO 3 -7.368 -3.232 -2.478 33 HD3 PRO 3 HD3 PRO 3 -8.380 -2.178 -1.449 34 HA PRO 4 HA PRO 4 -9.658 -8.784 -3.982 35 HB2 PRO 4 HB2 PRO 4 -9.777 -8.186 -6.948 36 HB3 PRO 4 HB3 PRO 4 -10.453 -9.584 -6.047 37 HG2 PRO 4 HG2 PRO 4 -12.067 -7.528 -6.717 38 HG3 PRO 4 HG3 PRO 4 -12.153 -8.205 -5.055 39 HD2 PRO 4 HD2 PRO 4 -10.714 -5.714 -6.002 40 HD3 PRO 4 HD3 PRO 4 -11.741 -5.949 -4.553 41 H GLY 5 H GLY 5 -7.768 -9.654 -3.616 42 HA2 GLY 5 HA2 GLY 5 -5.665 -10.524 -4.030 43 HA3 GLY 5 HA3 GLY 5 -5.531 -9.527 -5.492 44 H TRP 6 H TRP 6 -6.232 -7.168 -3.378 45 HA TRP 6 HA TRP 6 -3.441 -6.396 -3.097 46 HB2 TRP 6 HB2 TRP 6 -6.025 -5.076 -2.319 47 HB3 TRP 6 HB3 TRP 6 -4.438 -4.373 -1.977 48 HD1 TRP 6 HD1 TRP 6 -6.899 -4.973 -4.774 49 HE1 TRP 6 HE1 TRP 6 -6.176 -3.733 -6.903 50 HE3 TRP 6 HE3 TRP 6 -2.194 -3.633 -3.328 51 HZ2 TRP 6 HZ2 TRP 6 -3.737 -2.635 -7.961 52 HZ3 TRP 6 HZ3 TRP 6 -0.648 -2.546 -4.954 53 HH2 TRP 6 HH2 TRP 6 -1.401 -2.050 -7.267 54 H GLU 7 H GLU 7 -2.140 -6.290 -1.393 55 HA GLU 7 HA GLU 7 -3.110 -6.468 1.366 56 HB2 GLU 7 HB2 GLU 7 -2.918 -8.798 0.867 57 HB3 GLU 7 HB3 GLU 7 -1.385 -8.572 0.046 58 HG2 GLU 7 HG2 GLU 7 -1.123 -9.746 2.138 59 HG3 GLU 7 HG3 GLU 7 -0.213 -8.252 2.107 60 H LYS 8 H LYS 8 -1.535 -5.782 2.928 61 HA LYS 8 HA LYS 8 0.343 -3.773 1.929 62 HB2 LYS 8 HB2 LYS 8 -0.373 -4.744 4.705 63 HB3 LYS 8 HB3 LYS 8 1.005 -3.664 4.425 64 HG2 LYS 8 HG2 LYS 8 -0.423 -2.012 3.321 65 HG3 LYS 8 HG3 LYS 8 -1.819 -3.096 3.477 66 HD2 LYS 8 HD2 LYS 8 -2.007 -1.430 5.186 67 HD3 LYS 8 HD3 LYS 8 -1.578 -2.951 5.985 68 HE2 LYS 8 HE2 LYS 8 0.820 -2.194 6.059 69 HE3 LYS 8 HE3 LYS 8 0.350 -0.693 5.257 70 HZ1 LYS 8 HZ1 LYS 8 -0.639 -1.579 7.915 71 HZ2 LYS 8 HZ2 LYS 8 0.477 -0.414 7.665 72 HZ3 LYS 8 HZ3 LYS 8 -1.063 -0.185 7.173 73 H ARG 9 H ARG 9 2.455 -3.646 2.020 74 HA ARG 9 HA ARG 9 4.176 -5.967 2.704 75 HB2 ARG 9 HB2 ARG 9 3.298 -6.193 0.330 76 HB3 ARG 9 HB3 ARG 9 4.170 -4.722 -0.088 77 HG2 ARG 9 HG2 ARG 9 6.295 -5.774 0.265 78 HG3 ARG 9 HG3 ARG 9 5.573 -7.138 1.145 79 HD2 ARG 9 HD2 ARG 9 4.988 -6.565 -1.788 80 HD3 ARG 9 HD3 ARG 9 6.341 -7.577 -1.229 81 HE ARG 9 HE ARG 9 3.705 -8.332 -0.165 82 HH11 ARG 9 HH11 ARG 9 2.975 -10.384 -0.557 83 HH12 ARG 9 HH12 ARG 9 3.707 -11.343 -1.812 84 HH21 ARG 9 HH21 ARG 9 5.979 -8.964 -2.759 85 HH22 ARG 9 HH22 ARG 9 5.357 -10.571 -3.023 86 H MET 10 H MET 10 6.585 -5.284 2.306 87 HA MET 10 HA MET 10 7.067 -2.427 2.847 88 HB2 MET 10 HB2 MET 10 6.313 -3.432 5.020 89 HB3 MET 10 HB3 MET 10 7.645 -4.584 4.912 90 HG2 MET 10 HG2 MET 10 9.202 -2.531 4.830 91 HG3 MET 10 HG3 MET 10 7.799 -1.578 5.299 92 HE1 MET 10 HE1 MET 10 6.258 -3.359 7.403 93 HE2 MET 10 HE2 MET 10 7.066 -2.944 8.928 94 HE3 MET 10 HE3 MET 10 6.695 -1.668 7.754 95 H PHE 11 H PHE 11 8.998 -1.776 2.290 96 HA PHE 11 HA PHE 11 10.901 -3.501 0.948 97 HB2 PHE 11 HB2 PHE 11 10.810 -0.553 1.585 98 HB3 PHE 11 HB3 PHE 11 12.150 -1.306 0.707 99 HD1 PHE 11 HD1 PHE 11 11.531 -2.673 -1.456 100 HD2 PHE 11 HD2 PHE 11 8.983 0.280 0.384 101 HE1 PHE 11 HE1 PHE 11 10.328 -2.362 -3.609 102 HE2 PHE 11 HE2 PHE 11 7.786 0.586 -1.761 103 HZ PHE 11 HZ PHE 11 8.458 -0.727 -3.767 104 H ALA 12 H ALA 12 13.239 -3.509 1.347 105 HA ALA 12 HA ALA 12 13.910 -4.386 3.963 106 HB1 ALA 12 HB1 ALA 12 16.204 -4.458 3.059 107 HB2 ALA 12 HB2 ALA 12 15.039 -5.100 1.888 108 HB3 ALA 12 HB3 ALA 12 15.706 -3.463 1.675 109 H ASN 13 H ASN 13 13.911 -1.143 2.681 110 HA ASN 13 HA ASN 13 15.574 0.026 4.799 111 HB2 ASN 13 HB2 ASN 13 14.983 2.169 3.706 112 HB3 ASN 13 HB3 ASN 13 15.644 0.977 2.575 113 HD21 ASN 13 HD21 ASN 13 14.684 2.374 0.936 114 H GLY 14 H GLY 14 12.421 -1.148 4.862 115 HA2 GLY 14 HA2 GLY 14 10.997 -1.092 6.700 116 HA3 GLY 14 HA3 GLY 14 11.781 0.372 7.314 117 H THR 15 H THR 15 10.815 0.590 3.970 118 HA THR 15 HA THR 15 8.604 2.459 4.678 119 HB THR 15 HB THR 15 10.091 1.769 2.112 120 HG1 THR 15 HG1 THR 15 10.793 3.841 2.326 121 HG21 THR 15 HG21 THR 15 7.766 3.703 2.438 122 HG22 THR 15 HG22 THR 15 8.889 3.687 1.061 123 HG23 THR 15 HG23 THR 15 7.847 2.294 1.353 124 H VAL 16 H VAL 16 6.496 1.991 4.390 125 HA VAL 16 HA VAL 16 5.687 -0.748 3.560 126 HB VAL 16 HB VAL 16 4.314 1.520 5.051 127 HG11 VAL 16 HG11 VAL 16 3.069 -1.149 4.266 128 HG12 VAL 16 HG12 VAL 16 2.406 0.008 5.444 129 HG13 VAL 16 HG13 VAL 16 2.524 0.468 3.751 130 HG21 VAL 16 HG21 VAL 16 4.245 -0.123 6.890 131 HG22 VAL 16 HG22 VAL 16 5.032 -1.331 5.857 132 HG23 VAL 16 HG23 VAL 16 5.914 0.138 6.349 133 H TYR 17 H TYR 17 4.212 -1.159 1.973 134 HA TYR 17 HA TYR 17 2.936 0.964 0.389 135 HB2 TYR 17 HB2 TYR 17 3.924 0.335 -1.700 136 HB3 TYR 17 HB3 TYR 17 5.226 0.709 -0.610 137 HD1 TYR 17 HD1 TYR 17 6.530 -1.249 0.484 138 HD2 TYR 17 HD2 TYR 17 3.842 -1.732 -2.857 139 HE1 TYR 17 HE1 TYR 17 7.717 -3.338 -0.185 140 HE2 TYR 17 HE2 TYR 17 4.993 -3.840 -3.486 141 HH TYR 17 HH TYR 17 6.873 -5.115 -3.151 142 H TYR 18 H TYR 18 1.763 -0.306 -1.523 143 HA TYR 18 HA TYR 18 0.399 -2.693 -0.365 144 HB2 TYR 18 HB2 TYR 18 -0.689 -0.496 -2.144 145 HB3 TYR 18 HB3 TYR 18 -1.553 -1.975 -1.705 146 HD1 TYR 18 HD1 TYR 18 -2.492 -2.308 0.524 147 HD2 TYR 18 HD2 TYR 18 -0.216 1.233 -0.429 148 HE1 TYR 18 HE1 TYR 18 -3.264 -1.229 2.639 149 HE2 TYR 18 HE2 TYR 18 -0.959 2.289 1.699 150 HH TYR 18 HH TYR 18 -2.185 2.032 3.608 151 H PHE 19 H PHE 19 0.129 -4.522 -1.544 152 HA PHE 19 HA PHE 19 1.122 -4.577 -4.358 153 HB2 PHE 19 HB2 PHE 19 3.011 -5.110 -2.983 154 HB3 PHE 19 HB3 PHE 19 2.085 -6.313 -2.080 155 HD1 PHE 19 HD1 PHE 19 3.356 -5.419 -5.439 156 HD2 PHE 19 HD2 PHE 19 1.845 -8.608 -2.957 157 HE1 PHE 19 HE1 PHE 19 3.902 -7.028 -7.204 158 HE2 PHE 19 HE2 PHE 19 2.488 -10.252 -4.700 159 HZ PHE 19 HZ PHE 19 3.513 -9.483 -6.832 160 H ASN 20 H ASN 20 0.092 -5.887 -5.753 161 HA ASN 20 HA ASN 20 -2.234 -7.411 -4.702 162 HB2 ASN 20 HB2 ASN 20 -2.518 -5.609 -6.442 163 HB3 ASN 20 HB3 ASN 20 -1.650 -6.657 -7.577 164 HD21 ASN 20 HD21 ASN 20 -4.675 -5.750 -6.772 165 HD22 ASN 20 HD22 ASN 20 -5.553 -7.245 -7.041 166 H HIS 21 H HIS 21 -1.936 -9.530 -4.367 167 HA HIS 21 HA HIS 21 0.367 -10.927 -5.454 168 HB2 HIS 21 HB2 HIS 21 -0.087 -12.554 -3.944 169 HB3 HIS 21 HB3 HIS 21 -0.876 -11.193 -3.152 170 HD2 HIS 21 HD2 HIS 21 -3.516 -11.372 -2.781 171 HE1 HIS 21 HE1 HIS 21 -4.090 -15.255 -4.443 172 HE2 HIS 21 HE2 HIS 21 -5.178 -13.392 -3.090 173 H ILE 22 H ILE 22 -2.897 -10.568 -6.590 174 HA ILE 22 HA ILE 22 -2.937 -12.998 -8.234 175 HB ILE 22 HB ILE 22 -4.823 -10.595 -8.124 176 HG12 ILE 22 HG12 ILE 22 -4.895 -13.279 -6.651 177 HG13 ILE 22 HG13 ILE 22 -4.705 -11.676 -5.934 178 HG21 ILE 22 HG21 ILE 22 -5.028 -11.892 -10.225 179 HG22 ILE 22 HG22 ILE 22 -5.241 -13.386 -9.284 180 HG23 ILE 22 HG23 ILE 22 -6.451 -12.082 -9.226 181 HD11 ILE 22 HD11 ILE 22 -7.020 -11.092 -6.761 182 HD12 ILE 22 HD12 ILE 22 -7.218 -12.809 -7.197 183 HD13 ILE 22 HD13 ILE 22 -6.934 -12.353 -5.512 184 H THR 23 H THR 23 -2.524 -9.508 -8.692 185 HA THR 23 HA THR 23 -2.079 -9.866 -11.604 186 HB THR 23 HB THR 23 -2.858 -7.703 -11.959 187 HG1 THR 23 HG1 THR 23 -3.480 -6.598 -9.837 188 HG21 THR 23 HG21 THR 23 -4.685 -9.304 -11.264 189 HG22 THR 23 HG22 THR 23 -4.587 -8.624 -9.623 190 HG23 THR 23 HG23 THR 23 -5.050 -7.592 -10.989 191 H ASN 24 H ASN 24 -0.173 -9.305 -8.918 192 HA ASN 24 HA ASN 24 1.870 -8.578 -8.497 193 HB2 ASN 24 HB2 ASN 24 2.420 -8.861 -11.468 194 HB3 ASN 24 HB3 ASN 24 3.635 -8.681 -10.196 195 HD21 ASN 24 HD21 ASN 24 2.146 -10.978 -12.080 196 HD22 ASN 24 HD22 ASN 24 2.424 -12.361 -11.018 197 H ALA 25 H ALA 25 -0.314 -6.568 -9.506 198 HA ALA 25 HA ALA 25 1.185 -4.186 -10.161 199 HB1 ALA 25 HB1 ALA 25 -1.566 -4.516 -8.892 200 HB2 ALA 25 HB2 ALA 25 -0.920 -3.036 -9.631 201 HB3 ALA 25 HB3 ALA 25 -1.226 -4.464 -10.637 202 H SER 26 H SER 26 1.538 -2.331 -8.777 203 HA SER 26 HA SER 26 1.544 -2.769 -5.862 204 HB2 SER 26 HB2 SER 26 3.834 -2.002 -5.571 205 HB3 SER 26 HB3 SER 26 3.759 -3.521 -6.468 206 HG SER 26 HG SER 26 4.162 -2.420 -8.360 207 H GLN 27 H GLN 27 1.532 -0.864 -4.615 208 HA GLN 27 HA GLN 27 1.493 1.776 -5.966 209 HB2 GLN 27 HB2 GLN 27 -0.864 0.592 -4.437 210 HB3 GLN 27 HB3 GLN 27 -0.607 2.329 -4.649 211 HG2 GLN 27 HG2 GLN 27 -0.662 2.081 -7.083 212 HG3 GLN 27 HG3 GLN 27 -1.015 0.350 -6.902 213 HE21 GLN 27 HE21 GLN 27 -2.617 2.356 -4.472 214 HE22 GLN 27 HE22 GLN 27 -4.141 2.465 -5.359 215 H PHE 28 H PHE 28 2.144 3.449 -4.744 216 HA PHE 28 HA PHE 28 2.943 2.985 -1.959 217 HB2 PHE 28 HB2 PHE 28 3.377 5.267 -3.860 218 HB3 PHE 28 HB3 PHE 28 3.669 5.430 -2.126 219 HD1 PHE 28 HD1 PHE 28 4.903 3.915 -5.240 220 HD2 PHE 28 HD2 PHE 28 5.406 4.116 -0.958 221 HE1 PHE 28 HE1 PHE 28 7.169 2.920 -5.456 222 HE2 PHE 28 HE2 PHE 28 7.676 3.134 -1.182 223 HZ PHE 28 HZ PHE 28 8.562 2.535 -3.431 224 H GLU 29 H GLU 29 0.130 4.065 -3.458 225 HA GLU 29 HA GLU 29 -0.926 5.267 -0.938 226 HB2 GLU 29 HB2 GLU 29 -0.879 6.796 -2.879 227 HB3 GLU 29 HB3 GLU 29 -1.830 5.646 -3.817 228 HG2 GLU 29 HG2 GLU 29 -3.219 7.476 -3.013 229 HG3 GLU 29 HG3 GLU 29 -3.754 5.957 -2.316 230 H ARG 30 H ARG 30 -2.971 4.635 -0.209 231 HA ARG 30 HA ARG 30 -3.399 1.827 -0.259 232 HB2 ARG 30 HB2 ARG 30 -3.765 3.149 1.680 233 HB3 ARG 30 HB3 ARG 30 -4.993 4.132 0.903 234 HG2 ARG 30 HG2 ARG 30 -5.439 1.147 1.072 235 HG3 ARG 30 HG3 ARG 30 -5.574 2.101 2.558 236 HD2 ARG 30 HD2 ARG 30 -7.521 3.092 1.962 237 HD3 ARG 30 HD3 ARG 30 -7.023 3.330 0.294 238 HE ARG 30 HE ARG 30 -7.980 1.348 -0.351 239 HH11 ARG 30 HH11 ARG 30 -7.820 1.139 3.164 240 HH12 ARG 30 HH12 ARG 30 -8.774 -0.333 3.142 241 HH21 ARG 30 HH21 ARG 30 -9.311 -0.326 -0.219 242 HH22 ARG 30 HH22 ARG 30 -9.627 -1.083 1.345 243 HA PRO 31 HA PRO 31 -5.699 1.711 -4.044 244 HB2 PRO 31 HB2 PRO 31 -6.158 -0.966 -4.305 245 HB3 PRO 31 HB3 PRO 31 -4.521 -0.249 -4.417 246 HG2 PRO 31 HG2 PRO 31 -5.831 -1.500 -1.986 247 HG3 PRO 31 HG3 PRO 31 -4.206 -1.852 -2.661 248 HD2 PRO 31 HD2 PRO 31 -4.523 -0.131 -0.601 249 HD3 PRO 31 HD3 PRO 31 -3.334 0.196 -1.899 250 H SER 32 H SER 32 -7.764 1.839 -4.778 251 HA SER 32 HA SER 32 -9.979 1.281 -2.832 252 HB2 SER 32 HB2 SER 32 -9.561 3.722 -4.585 253 HB3 SER 32 HB3 SER 32 -10.999 3.398 -3.601 254 HG SER 32 HG SER 32 -8.335 3.736 -2.672 255 H GLY 33 H GLY 33 -8.971 0.005 -5.573 256 HA2 GLY 33 HA2 GLY 33 -11.501 -1.103 -6.337 257 HA3 GLY 33 HA3 GLY 33 -11.013 0.126 -7.508 258 H1 GAL 101 H1 GAL 34 11.842 1.592 0.457 259 H2 GAL 101 H2 GAL 34 13.266 4.100 -0.588 260 H3 GAL 101 H3 GAL 34 10.418 3.049 -1.002 261 H4 GAL 101 H4 GAL 34 11.056 2.640 -3.328 262 H5 GAL 101 H5 GAL 34 11.481 0.771 -1.842 263 H61 GAL 101 H61 GAL 34 12.283 0.301 -4.085 264 H62 GAL 101 H62 GAL 34 13.818 1.139 -3.766 265 HO2 GAL 101 H2O GAL 34 12.584 4.557 1.447 266 HO3 GAL 101 H3O GAL 34 10.769 5.386 -1.000 267 HO4 GAL 101 H4O GAL 34 12.630 4.402 -3.289 268 HO6 GAL 101 H6O GAL 34 14.011 -0.392 -1.938
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