NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
603544 | 2nc3 | 26005 | 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 -11.196 -5.465 6.182 2 H2 LYS 1 H2 LYS 1 -11.341 -5.714 4.572 3 H3 LYS 1 H3 LYS 1 -11.303 -4.188 5.169 4 HA LYS 1 HA LYS 1 -9.060 -4.439 5.928 5 HB2 LYS 1 HB2 LYS 1 -9.118 -6.809 6.422 6 HB3 LYS 1 HB3 LYS 1 -9.256 -7.218 4.713 7 HG2 LYS 1 HG2 LYS 1 -6.980 -6.307 4.299 8 HG3 LYS 1 HG3 LYS 1 -6.856 -5.834 6.004 9 HD2 LYS 1 HD2 LYS 1 -7.012 -8.183 6.701 10 HD3 LYS 1 HD3 LYS 1 -7.292 -8.694 5.024 11 HE2 LYS 1 HE2 LYS 1 -5.057 -7.856 4.378 12 HE3 LYS 1 HE3 LYS 1 -4.760 -7.325 6.041 13 HZ1 LYS 1 HZ1 LYS 1 -4.890 -9.630 6.753 14 HZ2 LYS 1 HZ2 LYS 1 -5.265 -10.144 5.248 15 HZ3 LYS 1 HZ3 LYS 1 -3.784 -9.534 5.549 16 H LEU 2 H LEU 2 -9.249 -6.189 2.822 17 HA LEU 2 HA LEU 2 -8.651 -3.760 1.253 18 HB2 LEU 2 HB2 LEU 2 -6.776 -6.087 1.801 19 HB3 LEU 2 HB3 LEU 2 -6.684 -5.253 0.257 20 HG LEU 2 HG LEU 2 -6.392 -3.761 2.888 21 HD11 LEU 2 HD11 LEU 2 -4.213 -4.870 1.094 22 HD12 LEU 2 HD12 LEU 2 -3.985 -3.845 2.530 23 HD13 LEU 2 HD13 LEU 2 -4.645 -5.478 2.714 24 HD21 LEU 2 HD21 LEU 2 -5.578 -3.109 0.018 25 HD22 LEU 2 HD22 LEU 2 -6.922 -2.349 0.908 26 HD23 LEU 2 HD23 LEU 2 -5.256 -2.106 1.448 27 HA PRO 3 HA PRO 3 -10.847 -6.022 -1.904 28 HB2 PRO 3 HB2 PRO 3 -8.927 -5.276 -4.036 29 HB3 PRO 3 HB3 PRO 3 -10.642 -4.816 -3.846 30 HG2 PRO 3 HG2 PRO 3 -8.558 -3.062 -3.450 31 HG3 PRO 3 HG3 PRO 3 -10.110 -2.961 -2.545 32 HD2 PRO 3 HD2 PRO 3 -7.487 -4.162 -1.651 33 HD3 PRO 3 HD3 PRO 3 -8.628 -3.110 -0.757 34 HA PRO 4 HA PRO 4 -9.371 -10.022 -2.596 35 HB2 PRO 4 HB2 PRO 4 -9.732 -9.757 -5.590 36 HB3 PRO 4 HB3 PRO 4 -10.224 -11.100 -4.507 37 HG2 PRO 4 HG2 PRO 4 -12.050 -9.261 -5.259 38 HG3 PRO 4 HG3 PRO 4 -11.971 -9.764 -3.537 39 HD2 PRO 4 HD2 PRO 4 -10.820 -7.278 -4.829 40 HD3 PRO 4 HD3 PRO 4 -11.724 -7.444 -3.291 41 H GLY 5 H GLY 5 -7.412 -10.753 -2.325 42 HA2 GLY 5 HA2 GLY 5 -5.288 -11.510 -2.811 43 HA3 GLY 5 HA3 GLY 5 -5.328 -10.653 -4.362 44 H TRP 6 H TRP 6 -6.010 -8.087 -2.566 45 HA TRP 6 HA TRP 6 -3.245 -7.194 -2.476 46 HB2 TRP 6 HB2 TRP 6 -5.824 -5.851 -1.693 47 HB3 TRP 6 HB3 TRP 6 -4.235 -5.086 -1.578 48 HD1 TRP 6 HD1 TRP 6 -6.891 -6.111 -4.047 49 HE1 TRP 6 HE1 TRP 6 -6.410 -5.139 -6.374 50 HE3 TRP 6 HE3 TRP 6 -2.147 -4.381 -3.220 51 HZ2 TRP 6 HZ2 TRP 6 -4.169 -4.004 -7.760 52 HZ3 TRP 6 HZ3 TRP 6 -0.841 -3.362 -5.105 53 HH2 TRP 6 HH2 TRP 6 -1.838 -3.183 -7.357 54 H GLU 7 H GLU 7 -1.875 -6.891 -0.833 55 HA GLU 7 HA GLU 7 -2.816 -6.656 1.937 56 HB2 GLU 7 HB2 GLU 7 -2.459 -9.099 1.565 57 HB3 GLU 7 HB3 GLU 7 -0.756 -8.779 1.207 58 HG2 GLU 7 HG2 GLU 7 -0.309 -8.125 3.452 59 HG3 GLU 7 HG3 GLU 7 -2.010 -7.789 3.786 60 H LYS 8 H LYS 8 -1.158 -5.746 3.373 61 HA LYS 8 HA LYS 8 0.556 -3.798 2.124 62 HB2 LYS 8 HB2 LYS 8 0.221 -4.722 4.987 63 HB3 LYS 8 HB3 LYS 8 1.507 -3.598 4.519 64 HG2 LYS 8 HG2 LYS 8 -0.118 -2.040 3.553 65 HG3 LYS 8 HG3 LYS 8 -1.437 -3.157 3.917 66 HD2 LYS 8 HD2 LYS 8 -1.465 -1.439 5.582 67 HD3 LYS 8 HD3 LYS 8 -0.888 -2.917 6.370 68 HE2 LYS 8 HE2 LYS 8 1.468 -2.100 6.127 69 HE3 LYS 8 HE3 LYS 8 0.867 -0.646 5.319 70 HZ1 LYS 8 HZ1 LYS 8 -0.317 -0.073 7.367 71 HZ2 LYS 8 HZ2 LYS 8 0.225 -1.423 8.114 72 HZ3 LYS 8 HZ3 LYS 8 1.275 -0.251 7.682 73 H ARG 9 H ARG 9 2.647 -3.564 1.983 74 HA ARG 9 HA ARG 9 4.525 -5.857 2.267 75 HB2 ARG 9 HB2 ARG 9 3.214 -5.509 -0.082 76 HB3 ARG 9 HB3 ARG 9 4.415 -4.257 -0.302 77 HG2 ARG 9 HG2 ARG 9 5.179 -6.238 -1.391 78 HG3 ARG 9 HG3 ARG 9 6.208 -6.045 0.043 79 HD2 ARG 9 HD2 ARG 9 4.893 -7.773 1.226 80 HD3 ARG 9 HD3 ARG 9 3.747 -7.846 -0.121 81 HE ARG 9 HE ARG 9 5.323 -8.946 -1.486 82 HH11 ARG 9 HH11 ARG 9 7.957 -10.857 -0.423 83 HH12 ARG 9 HH12 ARG 9 6.873 -10.485 -1.736 84 HH21 ARG 9 HH21 ARG 9 6.659 -8.549 1.746 85 HH22 ARG 9 HH22 ARG 9 7.846 -9.796 1.482 86 H MET 10 H MET 10 6.840 -5.089 1.846 87 HA MET 10 HA MET 10 7.292 -2.221 2.286 88 HB2 MET 10 HB2 MET 10 6.707 -3.132 4.539 89 HB3 MET 10 HB3 MET 10 8.076 -4.253 4.405 90 HG2 MET 10 HG2 MET 10 9.566 -2.199 4.144 91 HG3 MET 10 HG3 MET 10 8.168 -1.216 4.558 92 HE1 MET 10 HE1 MET 10 7.159 -1.043 7.037 93 HE2 MET 10 HE2 MET 10 6.701 -2.758 6.876 94 HE3 MET 10 HE3 MET 10 7.560 -2.196 8.324 95 H PHE 11 H PHE 11 9.161 -1.532 1.581 96 HA PHE 11 HA PHE 11 11.078 -3.257 0.263 97 HB2 PHE 11 HB2 PHE 11 10.870 -0.275 0.673 98 HB3 PHE 11 HB3 PHE 11 12.246 -1.029 -0.139 99 HD1 PHE 11 HD1 PHE 11 11.729 -2.651 -2.124 100 HD2 PHE 11 HD2 PHE 11 8.987 0.354 -0.660 101 HE1 PHE 11 HE1 PHE 11 10.528 -2.678 -4.299 102 HE2 PHE 11 HE2 PHE 11 7.798 0.308 -2.831 103 HZ PHE 11 HZ PHE 11 8.564 -1.191 -4.656 104 H ALA 12 H ALA 12 13.401 -3.239 0.555 105 HA ALA 12 HA ALA 12 14.216 -3.888 3.193 106 HB1 ALA 12 HB1 ALA 12 15.881 -3.123 0.751 107 HB2 ALA 12 HB2 ALA 12 16.466 -3.997 2.184 108 HB3 ALA 12 HB3 ALA 12 15.258 -4.748 1.127 109 H ASN 13 H ASN 13 14.103 -0.762 1.649 110 HA ASN 13 HA ASN 13 15.833 0.592 3.596 111 HB2 ASN 13 HB2 ASN 13 15.224 2.622 2.335 112 HB3 ASN 13 HB3 ASN 13 15.812 1.323 1.286 113 HD21 ASN 13 HD21 ASN 13 14.813 2.444 -0.479 114 H GLY 14 H GLY 14 12.731 -0.615 3.931 115 HA2 GLY 14 HA2 GLY 14 11.339 -0.360 5.775 116 HA3 GLY 14 HA3 GLY 14 12.130 1.164 6.210 117 H THR 15 H THR 15 10.993 0.846 2.903 118 HA THR 15 HA THR 15 8.846 2.844 3.412 119 HB THR 15 HB THR 15 9.927 1.766 0.790 120 HG1 THR 15 HG1 THR 15 11.463 2.877 1.763 121 HG21 THR 15 HG21 THR 15 7.771 2.591 0.327 122 HG22 THR 15 HG22 THR 15 7.966 3.992 1.421 123 HG23 THR 15 HG23 THR 15 8.870 3.907 -0.103 124 H VAL 16 H VAL 16 6.711 2.378 3.370 125 HA VAL 16 HA VAL 16 5.864 -0.435 2.924 126 HB VAL 16 HB VAL 16 4.534 1.970 4.221 127 HG11 VAL 16 HG11 VAL 16 2.742 0.435 4.966 128 HG12 VAL 16 HG12 VAL 16 2.713 0.666 3.222 129 HG13 VAL 16 HG13 VAL 16 3.385 -0.837 3.902 130 HG21 VAL 16 HG21 VAL 16 5.470 -0.708 5.336 131 HG22 VAL 16 HG22 VAL 16 6.306 0.849 5.554 132 HG23 VAL 16 HG23 VAL 16 4.704 0.596 6.265 133 H TYR 17 H TYR 17 4.344 -1.064 1.511 134 HA TYR 17 HA TYR 17 2.810 0.765 -0.180 135 HB2 TYR 17 HB2 TYR 17 3.641 -0.045 -2.284 136 HB3 TYR 17 HB3 TYR 17 4.979 0.597 -1.388 137 HD1 TYR 17 HD1 TYR 17 6.578 -1.063 -0.181 138 HD2 TYR 17 HD2 TYR 17 3.742 -2.215 -3.227 139 HE1 TYR 17 HE1 TYR 17 7.951 -3.067 -0.712 140 HE2 TYR 17 HE2 TYR 17 5.115 -4.229 -3.738 141 HH TYR 17 HH TYR 17 8.237 -4.836 -2.114 142 H TYR 18 H TYR 18 1.725 -0.978 -1.929 143 HA TYR 18 HA TYR 18 0.635 -3.240 -0.304 144 HB2 TYR 18 HB2 TYR 18 -0.851 -1.412 -2.224 145 HB3 TYR 18 HB3 TYR 18 -1.525 -2.797 -1.350 146 HD1 TYR 18 HD1 TYR 18 -2.148 -2.636 0.999 147 HD2 TYR 18 HD2 TYR 18 -0.195 0.651 -1.002 148 HE1 TYR 18 HE1 TYR 18 -2.664 -1.139 2.930 149 HE2 TYR 18 HE2 TYR 18 -0.652 2.121 0.942 150 HH TYR 18 HH TYR 18 -1.576 2.264 3.028 151 H PHE 19 H PHE 19 0.299 -5.154 -1.315 152 HA PHE 19 HA PHE 19 1.142 -5.461 -4.165 153 HB2 PHE 19 HB2 PHE 19 3.083 -5.846 -2.775 154 HB3 PHE 19 HB3 PHE 19 2.168 -6.973 -1.755 155 HD1 PHE 19 HD1 PHE 19 3.246 -6.389 -5.267 156 HD2 PHE 19 HD2 PHE 19 2.126 -9.332 -2.320 157 HE1 PHE 19 HE1 PHE 19 3.795 -8.170 -6.862 158 HE2 PHE 19 HE2 PHE 19 2.754 -11.139 -3.900 159 HZ PHE 19 HZ PHE 19 3.584 -10.579 -6.179 160 H ASN 20 H ASN 20 0.015 -6.882 -5.364 161 HA ASN 20 HA ASN 20 -2.187 -8.367 -4.037 162 HB2 ASN 20 HB2 ASN 20 -2.606 -6.784 -5.964 163 HB3 ASN 20 HB3 ASN 20 -1.771 -7.947 -7.007 164 HD21 ASN 20 HD21 ASN 20 -4.776 -7.010 -6.136 165 HD22 ASN 20 HD22 ASN 20 -5.620 -8.549 -6.159 166 H HIS 21 H HIS 21 -1.786 -10.423 -3.472 167 HA HIS 21 HA HIS 21 0.513 -11.860 -4.499 168 HB2 HIS 21 HB2 HIS 21 0.154 -13.347 -2.817 169 HB3 HIS 21 HB3 HIS 21 -0.603 -11.911 -2.135 170 HD2 HIS 21 HD2 HIS 21 -3.169 -12.118 -1.481 171 HE1 HIS 21 HE1 HIS 21 -3.827 -16.115 -2.804 172 HE2 HIS 21 HE2 HIS 21 -4.813 -14.174 -1.486 173 H ILE 22 H ILE 22 -2.810 -11.749 -5.526 174 HA ILE 22 HA ILE 22 -2.786 -14.335 -6.922 175 HB ILE 22 HB ILE 22 -4.812 -12.055 -6.909 176 HG12 ILE 22 HG12 ILE 22 -4.748 -14.635 -5.266 177 HG13 ILE 22 HG13 ILE 22 -4.448 -13.004 -4.640 178 HG21 ILE 22 HG21 ILE 22 -6.411 -13.728 -7.763 179 HG22 ILE 22 HG22 ILE 22 -5.072 -13.520 -8.874 180 HG23 ILE 22 HG23 ILE 22 -5.116 -14.947 -7.814 181 HD11 ILE 22 HD11 ILE 22 -6.795 -12.375 -5.324 182 HD12 ILE 22 HD12 ILE 22 -7.089 -14.109 -5.610 183 HD13 ILE 22 HD13 ILE 22 -6.634 -13.540 -3.994 184 H THR 23 H THR 23 -2.635 -10.884 -7.716 185 HA THR 23 HA THR 23 -2.302 -11.488 -10.599 186 HB THR 23 HB THR 23 -3.263 -9.453 -11.133 187 HG1 THR 23 HG1 THR 23 -3.858 -8.172 -9.087 188 HG21 THR 23 HG21 THR 23 -4.928 -11.085 -10.162 189 HG22 THR 23 HG22 THR 23 -4.807 -10.220 -8.614 190 HG23 THR 23 HG23 THR 23 -5.410 -9.385 -10.058 191 H ASN 24 H ASN 24 -0.287 -10.619 -8.106 192 HA ASN 24 HA ASN 24 1.782 -9.865 -7.901 193 HB2 ASN 24 HB2 ASN 24 1.931 -11.538 -9.973 194 HB3 ASN 24 HB3 ASN 24 2.408 -10.065 -10.835 195 HD21 ASN 24 HD21 ASN 24 4.184 -8.769 -9.532 196 HD22 ASN 24 HD22 ASN 24 5.500 -9.791 -8.921 197 H ALA 25 H ALA 25 -0.458 -7.933 -8.829 198 HA ALA 25 HA ALA 25 0.963 -5.636 -9.903 199 HB1 ALA 25 HB1 ALA 25 -1.134 -4.460 -9.401 200 HB2 ALA 25 HB2 ALA 25 -1.463 -5.997 -10.221 201 HB3 ALA 25 HB3 ALA 25 -1.717 -5.855 -8.467 202 H SER 26 H SER 26 1.441 -3.670 -8.772 203 HA SER 26 HA SER 26 1.616 -3.745 -5.817 204 HB2 SER 26 HB2 SER 26 3.957 -2.967 -5.857 205 HB3 SER 26 HB3 SER 26 3.762 -4.613 -6.464 206 HG SER 26 HG SER 26 3.942 -2.299 -8.112 207 H GLN 27 H GLN 27 1.357 -1.717 -4.843 208 HA GLN 27 HA GLN 27 1.653 0.739 -6.417 209 HB2 GLN 27 HB2 GLN 27 -0.594 1.435 -6.428 210 HB3 GLN 27 HB3 GLN 27 -0.594 -0.213 -7.063 211 HG2 GLN 27 HG2 GLN 27 -1.464 -1.075 -4.941 212 HG3 GLN 27 HG3 GLN 27 -1.366 0.523 -4.218 213 HE21 GLN 27 HE21 GLN 27 -3.337 1.484 -4.101 214 HE22 GLN 27 HE22 GLN 27 -4.582 1.388 -5.361 215 H PHE 28 H PHE 28 1.501 2.691 -5.184 216 HA PHE 28 HA PHE 28 2.332 2.278 -2.410 217 HB2 PHE 28 HB2 PHE 28 2.478 4.642 -4.263 218 HB3 PHE 28 HB3 PHE 28 2.873 4.747 -2.545 219 HD1 PHE 28 HD1 PHE 28 4.775 3.464 -1.560 220 HD2 PHE 28 HD2 PHE 28 4.022 3.554 -5.808 221 HE1 PHE 28 HE1 PHE 28 7.090 2.673 -1.994 222 HE2 PHE 28 HE2 PHE 28 6.334 2.753 -6.235 223 HZ PHE 28 HZ PHE 28 7.872 2.317 -4.332 224 H GLU 29 H GLU 29 -0.458 3.827 -3.882 225 HA GLU 29 HA GLU 29 -1.464 4.826 -1.286 226 HB2 GLU 29 HB2 GLU 29 -1.743 6.143 -3.333 227 HB3 GLU 29 HB3 GLU 29 -2.665 4.830 -4.084 228 HG2 GLU 29 HG2 GLU 29 -4.455 5.082 -2.440 229 HG3 GLU 29 HG3 GLU 29 -3.501 6.260 -1.529 230 H ARG 30 H ARG 30 -3.405 4.002 -0.255 231 HA ARG 30 HA ARG 30 -3.499 1.192 -0.137 232 HB2 ARG 30 HB2 ARG 30 -4.242 2.844 1.644 233 HB3 ARG 30 HB3 ARG 30 -5.757 2.993 0.753 234 HG2 ARG 30 HG2 ARG 30 -5.512 0.227 0.941 235 HG3 ARG 30 HG3 ARG 30 -4.675 0.746 2.410 236 HD2 ARG 30 HD2 ARG 30 -6.943 0.340 2.989 237 HD3 ARG 30 HD3 ARG 30 -6.730 2.103 2.982 238 HE ARG 30 HE ARG 30 -7.672 0.961 0.431 239 HH11 ARG 30 HH11 ARG 30 -8.852 2.041 3.556 240 HH12 ARG 30 HH12 ARG 30 -10.422 2.456 2.918 241 HH21 ARG 30 HH21 ARG 30 -9.636 1.694 -0.337 242 HH22 ARG 30 HH22 ARG 30 -10.859 2.218 0.788 243 HA PRO 31 HA PRO 31 -6.018 0.203 -3.758 244 HB2 PRO 31 HB2 PRO 31 -6.304 -2.382 -2.237 245 HB3 PRO 31 HB3 PRO 31 -5.960 -2.138 -3.978 246 HG2 PRO 31 HG2 PRO 31 -3.968 -2.765 -2.250 247 HG3 PRO 31 HG3 PRO 31 -3.700 -1.503 -3.498 248 HD2 PRO 31 HD2 PRO 31 -4.358 -1.165 -0.566 249 HD3 PRO 31 HD3 PRO 31 -3.193 -0.275 -1.579 250 H SER 32 H SER 32 -8.214 -0.229 -4.291 251 HA SER 32 HA SER 32 -10.258 -0.210 -2.141 252 HB2 SER 32 HB2 SER 32 -10.005 1.995 -4.230 253 HB3 SER 32 HB3 SER 32 -11.354 1.781 -3.103 254 HG SER 32 HG SER 32 -8.665 2.452 -2.534 255 H GLY 33 H GLY 33 -12.380 -0.666 -2.857 256 HA2 GLY 33 HA2 GLY 33 -13.120 -1.261 -5.587 257 HA3 GLY 33 HA3 GLY 33 -12.694 -2.734 -4.714 258 H1' ALL 101 H1 ALL 34 11.884 1.913 -0.671 259 H2' ALL 101 H2 ALL 34 13.552 4.062 -2.092 260 H3' ALL 101 H3 ALL 34 11.449 4.717 -3.196 261 H4' ALL 101 H4 ALL 34 12.854 3.100 -4.378 262 H5' ALL 101 H5 ALL 34 11.303 0.900 -2.946 263 H6'1 ALL 101 H62 ALL 34 12.222 0.393 -5.308 264 H6'2 ALL 101 H61 ALL 34 12.762 -0.671 -3.994 265 HO'2 ALL 101 H2O ALL 34 11.489 4.278 -0.108 266 HO'3 ALL 101 H3O ALL 34 9.685 3.121 -2.979 267 HO'4 ALL 101 H4O ALL 34 10.878 3.479 -5.380 268 HO'6 ALL 101 H6O ALL 34 14.591 0.802 -3.773 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 -11.078 -4.524 4.874 2 H2 LYS 1 H2 LYS 1 -10.747 -5.516 6.127 3 H3 LYS 1 H3 LYS 1 -10.474 -6.023 4.598 4 HA LYS 1 HA LYS 1 -9.082 -3.824 5.981 5 HB2 LYS 1 HB2 LYS 1 -8.478 -6.121 6.795 6 HB3 LYS 1 HB3 LYS 1 -7.911 -6.514 5.171 7 HG2 LYS 1 HG2 LYS 1 -6.301 -4.519 5.373 8 HG3 LYS 1 HG3 LYS 1 -6.859 -4.338 7.036 9 HD2 LYS 1 HD2 LYS 1 -4.817 -5.536 7.141 10 HD3 LYS 1 HD3 LYS 1 -6.083 -6.733 7.458 11 HE2 LYS 1 HE2 LYS 1 -5.944 -7.483 5.076 12 HE3 LYS 1 HE3 LYS 1 -4.724 -6.240 4.763 13 HZ1 LYS 1 HZ1 LYS 1 -3.301 -7.366 6.421 14 HZ2 LYS 1 HZ2 LYS 1 -4.409 -8.561 6.582 15 HZ3 LYS 1 HZ3 LYS 1 -3.646 -8.327 5.148 16 H LEU 2 H LEU 2 -8.569 -5.946 3.112 17 HA LEU 2 HA LEU 2 -8.078 -3.564 1.405 18 HB2 LEU 2 HB2 LEU 2 -6.302 -6.000 1.844 19 HB3 LEU 2 HB3 LEU 2 -6.164 -4.997 0.398 20 HG LEU 2 HG LEU 2 -5.803 -3.877 3.197 21 HD11 LEU 2 HD11 LEU 2 -3.399 -3.972 2.754 22 HD12 LEU 2 HD12 LEU 2 -4.100 -5.598 2.716 23 HD13 LEU 2 HD13 LEU 2 -3.696 -4.774 1.194 24 HD21 LEU 2 HD21 LEU 2 -4.998 -2.817 0.454 25 HD22 LEU 2 HD22 LEU 2 -6.357 -2.211 1.429 26 HD23 LEU 2 HD23 LEU 2 -4.702 -2.027 2.017 27 HA PRO 3 HA PRO 3 -10.544 -5.731 -1.550 28 HB2 PRO 3 HB2 PRO 3 -8.753 -5.129 -3.832 29 HB3 PRO 3 HB3 PRO 3 -10.413 -4.558 -3.512 30 HG2 PRO 3 HG2 PRO 3 -8.187 -2.948 -3.300 31 HG3 PRO 3 HG3 PRO 3 -9.661 -2.725 -2.291 32 HD2 PRO 3 HD2 PRO 3 -7.062 -4.063 -1.574 33 HD3 PRO 3 HD3 PRO 3 -8.083 -2.955 -0.606 34 HA PRO 4 HA PRO 4 -9.391 -9.831 -2.369 35 HB2 PRO 4 HB2 PRO 4 -9.910 -9.506 -5.333 36 HB3 PRO 4 HB3 PRO 4 -10.426 -10.826 -4.234 37 HG2 PRO 4 HG2 PRO 4 -12.169 -8.864 -4.864 38 HG3 PRO 4 HG3 PRO 4 -12.021 -9.389 -3.152 39 HD2 PRO 4 HD2 PRO 4 -10.782 -6.973 -4.495 40 HD3 PRO 4 HD3 PRO 4 -11.609 -7.089 -2.909 41 H GLY 5 H GLY 5 -7.468 -10.698 -2.234 42 HA2 GLY 5 HA2 GLY 5 -5.390 -11.518 -2.818 43 HA3 GLY 5 HA3 GLY 5 -5.465 -10.639 -4.355 44 H TRP 6 H TRP 6 -6.004 -8.101 -2.440 45 HA TRP 6 HA TRP 6 -3.211 -7.276 -2.474 46 HB2 TRP 6 HB2 TRP 6 -5.728 -5.893 -1.580 47 HB3 TRP 6 HB3 TRP 6 -4.121 -5.162 -1.495 48 HD1 TRP 6 HD1 TRP 6 -6.828 -6.147 -3.948 49 HE1 TRP 6 HE1 TRP 6 -6.387 -5.114 -6.255 50 HE3 TRP 6 HE3 TRP 6 -2.114 -4.346 -3.120 51 HZ2 TRP 6 HZ2 TRP 6 -4.171 -3.930 -7.638 52 HZ3 TRP 6 HZ3 TRP 6 -0.871 -3.208 -4.956 53 HH2 TRP 6 HH2 TRP 6 -1.864 -3.036 -7.223 54 H GLU 7 H GLU 7 -1.780 -7.067 -0.918 55 HA GLU 7 HA GLU 7 -2.518 -7.127 1.955 56 HB2 GLU 7 HB2 GLU 7 -0.428 -8.884 0.605 57 HB3 GLU 7 HB3 GLU 7 -0.493 -8.614 2.338 58 HG2 GLU 7 HG2 GLU 7 -2.680 -9.945 0.685 59 HG3 GLU 7 HG3 GLU 7 -1.474 -10.765 1.661 60 H LYS 8 H LYS 8 -0.856 -6.212 3.346 61 HA LYS 8 HA LYS 8 0.695 -4.052 2.123 62 HB2 LYS 8 HB2 LYS 8 0.398 -5.041 4.966 63 HB3 LYS 8 HB3 LYS 8 1.668 -3.891 4.517 64 HG2 LYS 8 HG2 LYS 8 0.014 -2.327 3.597 65 HG3 LYS 8 HG3 LYS 8 -1.283 -3.472 3.940 66 HD2 LYS 8 HD2 LYS 8 -1.322 -1.807 5.662 67 HD3 LYS 8 HD3 LYS 8 -0.715 -3.299 6.396 68 HE2 LYS 8 HE2 LYS 8 1.631 -2.430 6.136 69 HE3 LYS 8 HE3 LYS 8 0.982 -0.953 5.416 70 HZ1 LYS 8 HZ1 LYS 8 0.421 -1.887 8.180 71 HZ2 LYS 8 HZ2 LYS 8 1.433 -0.670 7.786 72 HZ3 LYS 8 HZ3 LYS 8 -0.169 -0.514 7.518 73 H ARG 9 H ARG 9 2.785 -3.776 1.943 74 HA ARG 9 HA ARG 9 4.729 -5.999 2.283 75 HB2 ARG 9 HB2 ARG 9 3.486 -6.004 -0.024 76 HB3 ARG 9 HB3 ARG 9 4.351 -4.514 -0.356 77 HG2 ARG 9 HG2 ARG 9 5.478 -6.330 -1.415 78 HG3 ARG 9 HG3 ARG 9 6.521 -5.790 -0.085 79 HD2 ARG 9 HD2 ARG 9 5.714 -7.700 1.298 80 HD3 ARG 9 HD3 ARG 9 4.628 -8.182 -0.017 81 HE ARG 9 HE ARG 9 6.486 -8.816 -1.371 82 HH11 ARG 9 HH11 ARG 9 8.396 -9.887 -1.552 83 HH12 ARG 9 HH12 ARG 9 9.475 -9.988 -0.189 84 HH21 ARG 9 HH21 ARG 9 7.521 -8.140 1.926 85 HH22 ARG 9 HH22 ARG 9 9.007 -9.022 1.709 86 H MET 10 H MET 10 7.028 -5.170 1.924 87 HA MET 10 HA MET 10 7.352 -2.282 1.997 88 HB2 MET 10 HB2 MET 10 8.410 -2.106 4.161 89 HB3 MET 10 HB3 MET 10 6.737 -2.661 4.324 90 HG2 MET 10 HG2 MET 10 7.523 -4.978 4.638 91 HG3 MET 10 HG3 MET 10 9.198 -4.447 4.485 92 HE1 MET 10 HE1 MET 10 9.352 -1.720 6.205 93 HE2 MET 10 HE2 MET 10 9.872 -2.442 7.739 94 HE3 MET 10 HE3 MET 10 10.523 -3.060 6.205 95 H PHE 11 H PHE 11 9.248 -1.513 1.526 96 HA PHE 11 HA PHE 11 11.308 -3.197 0.372 97 HB2 PHE 11 HB2 PHE 11 11.009 -0.212 0.753 98 HB3 PHE 11 HB3 PHE 11 12.414 -0.956 -0.019 99 HD1 PHE 11 HD1 PHE 11 9.097 0.329 -0.592 100 HD2 PHE 11 HD2 PHE 11 12.002 -2.526 -2.044 101 HE1 PHE 11 HE1 PHE 11 7.945 0.253 -2.780 102 HE2 PHE 11 HE2 PHE 11 10.842 -2.578 -4.241 103 HZ PHE 11 HZ PHE 11 8.815 -1.182 -4.612 104 H ALA 12 H ALA 12 13.572 -3.155 0.878 105 HA ALA 12 HA ALA 12 14.167 -3.678 3.604 106 HB1 ALA 12 HB1 ALA 12 16.486 -3.859 2.780 107 HB2 ALA 12 HB2 ALA 12 15.354 -4.656 1.674 108 HB3 ALA 12 HB3 ALA 12 16.024 -3.059 1.263 109 H ASN 13 H ASN 13 14.186 -0.633 1.906 110 HA ASN 13 HA ASN 13 15.819 0.809 3.860 111 HB2 ASN 13 HB2 ASN 13 15.230 2.786 2.518 112 HB3 ASN 13 HB3 ASN 13 15.841 1.457 1.522 113 HD21 ASN 13 HD21 ASN 13 14.874 2.565 -0.279 114 H GLY 14 H GLY 14 12.716 -0.412 4.150 115 HA2 GLY 14 HA2 GLY 14 11.312 -0.116 5.993 116 HA3 GLY 14 HA3 GLY 14 12.047 1.456 6.350 117 H THR 15 H THR 15 10.999 0.950 3.047 118 HA THR 15 HA THR 15 8.758 2.871 3.429 119 HB THR 15 HB THR 15 9.939 1.771 0.863 120 HG1 THR 15 HG1 THR 15 11.428 2.934 1.850 121 HG21 THR 15 HG21 THR 15 8.850 3.874 -0.088 122 HG22 THR 15 HG22 THR 15 7.776 2.536 0.335 123 HG23 THR 15 HG23 THR 15 7.908 3.956 1.413 124 H VAL 16 H VAL 16 6.668 2.292 3.430 125 HA VAL 16 HA VAL 16 5.922 -0.542 2.938 126 HB VAL 16 HB VAL 16 4.458 1.777 4.249 127 HG11 VAL 16 HG11 VAL 16 2.799 0.111 5.015 128 HG12 VAL 16 HG12 VAL 16 2.750 0.316 3.269 129 HG13 VAL 16 HG13 VAL 16 3.544 -1.118 3.966 130 HG21 VAL 16 HG21 VAL 16 4.728 0.449 6.311 131 HG22 VAL 16 HG22 VAL 16 5.615 -0.794 5.413 132 HG23 VAL 16 HG23 VAL 16 6.307 0.833 5.610 133 H TYR 17 H TYR 17 4.413 -1.197 1.507 134 HA TYR 17 HA TYR 17 2.842 0.632 -0.156 135 HB2 TYR 17 HB2 TYR 17 3.690 -0.139 -2.266 136 HB3 TYR 17 HB3 TYR 17 5.012 0.517 -1.355 137 HD1 TYR 17 HD1 TYR 17 6.645 -1.132 -0.176 138 HD2 TYR 17 HD2 TYR 17 3.835 -2.292 -3.242 139 HE1 TYR 17 HE1 TYR 17 8.070 -3.093 -0.759 140 HE2 TYR 17 HE2 TYR 17 5.253 -4.249 -3.805 141 HH TYR 17 HH TYR 17 7.245 -5.307 -3.429 142 H TYR 18 H TYR 18 1.730 -1.045 -1.900 143 HA TYR 18 HA TYR 18 0.681 -3.367 -0.326 144 HB2 TYR 18 HB2 TYR 18 -0.825 -1.594 -2.279 145 HB3 TYR 18 HB3 TYR 18 -1.478 -2.946 -1.342 146 HD1 TYR 18 HD1 TYR 18 -1.876 -2.740 1.095 147 HD2 TYR 18 HD2 TYR 18 -0.386 0.566 -1.238 148 HE1 TYR 18 HE1 TYR 18 -2.420 -1.176 2.958 149 HE2 TYR 18 HE2 TYR 18 -0.897 2.123 0.626 150 HH TYR 18 HH TYR 18 -2.386 0.987 3.683 151 H PHE 19 H PHE 19 0.351 -5.258 -1.398 152 HA PHE 19 HA PHE 19 1.143 -5.496 -4.265 153 HB2 PHE 19 HB2 PHE 19 3.144 -5.893 -2.949 154 HB3 PHE 19 HB3 PHE 19 2.281 -7.068 -1.939 155 HD1 PHE 19 HD1 PHE 19 3.257 -6.342 -5.458 156 HD2 PHE 19 HD2 PHE 19 2.193 -9.402 -2.609 157 HE1 PHE 19 HE1 PHE 19 3.760 -8.062 -7.139 158 HE2 PHE 19 HE2 PHE 19 2.766 -11.143 -4.282 159 HZ PHE 19 HZ PHE 19 3.547 -10.491 -6.552 160 H ASN 20 H ASN 20 -0.034 -6.895 -5.447 161 HA ASN 20 HA ASN 20 -2.191 -8.390 -4.068 162 HB2 ASN 20 HB2 ASN 20 -2.648 -6.783 -5.963 163 HB3 ASN 20 HB3 ASN 20 -1.850 -7.938 -7.044 164 HD21 ASN 20 HD21 ASN 20 -4.815 -6.982 -6.117 165 HD22 ASN 20 HD22 ASN 20 -5.683 -8.506 -6.156 166 H HIS 21 H HIS 21 -1.798 -10.452 -3.534 167 HA HIS 21 HA HIS 21 0.467 -11.899 -4.625 168 HB2 HIS 21 HB2 HIS 21 0.142 -13.392 -2.940 169 HB3 HIS 21 HB3 HIS 21 -0.576 -11.948 -2.231 170 HD2 HIS 21 HD2 HIS 21 -3.129 -12.121 -1.506 171 HE1 HIS 21 HE1 HIS 21 -3.866 -16.114 -2.798 172 HE2 HIS 21 HE2 HIS 21 -4.793 -14.159 -1.458 173 H ILE 22 H ILE 22 -2.874 -11.747 -5.572 174 HA ILE 22 HA ILE 22 -2.905 -14.334 -6.974 175 HB ILE 22 HB ILE 22 -4.927 -12.051 -6.878 176 HG12 ILE 22 HG12 ILE 22 -4.786 -14.636 -5.248 177 HG13 ILE 22 HG13 ILE 22 -4.497 -13.000 -4.630 178 HG21 ILE 22 HG21 ILE 22 -5.252 -13.506 -8.843 179 HG22 ILE 22 HG22 ILE 22 -5.261 -14.939 -7.789 180 HG23 ILE 22 HG23 ILE 22 -6.553 -13.719 -7.690 181 HD11 ILE 22 HD11 ILE 22 -6.650 -13.580 -3.916 182 HD12 ILE 22 HD12 ILE 22 -6.877 -12.416 -5.238 183 HD13 ILE 22 HD13 ILE 22 -7.145 -14.156 -5.518 184 H THR 23 H THR 23 -2.773 -10.878 -7.752 185 HA THR 23 HA THR 23 -2.540 -11.466 -10.649 186 HB THR 23 HB THR 23 -3.504 -9.418 -11.136 187 HG1 THR 23 HG1 THR 23 -4.028 -8.158 -9.054 188 HG21 THR 23 HG21 THR 23 -5.617 -9.351 -9.991 189 HG22 THR 23 HG22 THR 23 -5.148 -11.052 -10.133 190 HG23 THR 23 HG23 THR 23 -4.973 -10.207 -8.578 191 H ASN 24 H ASN 24 -0.439 -10.613 -8.219 192 HA ASN 24 HA ASN 24 1.620 -9.826 -8.069 193 HB2 ASN 24 HB2 ASN 24 1.847 -10.391 -11.042 194 HB3 ASN 24 HB3 ASN 24 3.196 -10.084 -9.939 195 HD21 ASN 24 HD21 ASN 24 1.533 -12.560 -11.403 196 HD22 ASN 24 HD22 ASN 24 1.943 -13.829 -10.244 197 H ALA 25 H ALA 25 -0.645 -7.910 -8.993 198 HA ALA 25 HA ALA 25 0.756 -5.592 -10.021 199 HB1 ALA 25 HB1 ALA 25 -1.681 -5.949 -10.283 200 HB2 ALA 25 HB2 ALA 25 -1.888 -5.840 -8.520 201 HB3 ALA 25 HB3 ALA 25 -1.332 -4.427 -9.441 202 H SER 26 H SER 26 1.228 -3.634 -8.861 203 HA SER 26 HA SER 26 1.417 -3.771 -5.913 204 HB2 SER 26 HB2 SER 26 3.675 -2.854 -5.896 205 HB3 SER 26 HB3 SER 26 3.618 -4.456 -6.638 206 HG SER 26 HG SER 26 4.893 -3.014 -7.855 207 H GLN 27 H GLN 27 1.402 -1.745 -4.848 208 HA GLN 27 HA GLN 27 0.947 0.722 -6.416 209 HB2 GLN 27 HB2 GLN 27 -1.240 -0.701 -6.212 210 HB3 GLN 27 HB3 GLN 27 -1.173 -0.303 -4.499 211 HG2 GLN 27 HG2 GLN 27 -2.654 1.236 -5.514 212 HG3 GLN 27 HG3 GLN 27 -1.196 2.146 -5.142 213 HE21 GLN 27 HE21 GLN 27 -0.940 3.682 -6.804 214 HE22 GLN 27 HE22 GLN 27 -1.145 3.283 -8.517 215 H PHE 28 H PHE 28 1.329 2.579 -5.212 216 HA PHE 28 HA PHE 28 2.376 2.240 -2.464 217 HB2 PHE 28 HB2 PHE 28 2.556 4.511 -4.429 218 HB3 PHE 28 HB3 PHE 28 2.960 4.696 -2.719 219 HD1 PHE 28 HD1 PHE 28 4.857 3.470 -1.682 220 HD2 PHE 28 HD2 PHE 28 4.059 3.278 -5.918 221 HE1 PHE 28 HE1 PHE 28 7.162 2.635 -2.083 222 HE2 PHE 28 HE2 PHE 28 6.362 2.433 -6.312 223 HZ PHE 28 HZ PHE 28 7.919 2.122 -4.400 224 H GLU 29 H GLU 29 -0.245 3.974 -4.029 225 HA GLU 29 HA GLU 29 -1.463 4.953 -1.572 226 HB2 GLU 29 HB2 GLU 29 -2.731 4.531 -4.320 227 HB3 GLU 29 HB3 GLU 29 -3.316 5.529 -3.001 228 HG2 GLU 29 HG2 GLU 29 -2.421 7.103 -4.407 229 HG3 GLU 29 HG3 GLU 29 -1.131 6.887 -3.231 230 H ARG 30 H ARG 30 -3.550 4.205 -0.759 231 HA ARG 30 HA ARG 30 -3.767 1.404 -0.311 232 HB2 ARG 30 HB2 ARG 30 -4.735 3.493 0.956 233 HB3 ARG 30 HB3 ARG 30 -6.126 3.313 -0.094 234 HG2 ARG 30 HG2 ARG 30 -4.991 1.251 1.846 235 HG3 ARG 30 HG3 ARG 30 -6.396 2.283 2.127 236 HD2 ARG 30 HD2 ARG 30 -6.177 -0.030 0.173 237 HD3 ARG 30 HD3 ARG 30 -7.110 0.024 1.653 238 HE ARG 30 HE ARG 30 -7.896 0.947 -0.954 239 HH11 ARG 30 HH11 ARG 30 -8.488 1.632 2.442 240 HH12 ARG 30 HH12 ARG 30 -10.087 2.252 2.123 241 HH21 ARG 30 HH21 ARG 30 -9.974 1.726 -1.267 242 HH22 ARG 30 HH22 ARG 30 -10.878 2.312 0.099 243 HA PRO 31 HA PRO 31 -5.259 0.493 -4.455 244 HB2 PRO 31 HB2 PRO 31 -5.948 -2.179 -4.155 245 HB3 PRO 31 HB3 PRO 31 -4.279 -1.565 -4.361 246 HG2 PRO 31 HG2 PRO 31 -5.722 -2.187 -1.764 247 HG3 PRO 31 HG3 PRO 31 -4.084 -2.723 -2.267 248 HD2 PRO 31 HD2 PRO 31 -4.333 -0.619 -0.660 249 HD3 PRO 31 HD3 PRO 31 -3.210 -0.515 -2.041 250 H SER 32 H SER 32 -7.188 0.393 -5.577 251 HA SER 32 HA SER 32 -9.321 1.097 -5.910 252 HB2 SER 32 HB2 SER 32 -9.936 -1.066 -3.876 253 HB3 SER 32 HB3 SER 32 -11.128 -0.267 -4.915 254 HG SER 32 HG SER 32 -10.399 -2.196 -5.856 255 H GLY 33 H GLY 33 -8.271 3.051 -4.707 256 HA2 GLY 33 HA2 GLY 33 -10.328 4.395 -3.217 257 HA3 GLY 33 HA3 GLY 33 -9.014 3.917 -2.137 258 H1' ALL 101 H1 ALL 34 11.966 1.966 -0.549 259 H2' ALL 101 H2 ALL 34 13.609 4.169 -1.917 260 H3' ALL 101 H3 ALL 34 11.516 4.766 -3.076 261 H4' ALL 101 H4 ALL 34 13.010 3.205 -4.222 262 H5' ALL 101 H5 ALL 34 11.488 0.944 -2.856 263 H6'1 ALL 101 H62 ALL 34 12.502 0.487 -5.188 264 H6'2 ALL 101 H61 ALL 34 13.038 -0.567 -3.864 265 HO'2 ALL 101 H2O ALL 34 11.488 4.321 0.011 266 HO'3 ALL 101 H3O ALL 34 9.803 3.102 -2.919 267 HO'4 ALL 101 H4O ALL 34 11.047 3.528 -5.277 268 HO'6 ALL 101 H6O ALL 34 14.806 0.965 -3.575 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 -10.663 -5.801 4.809 2 H2 LYS 1 H2 LYS 1 -11.318 -4.305 4.952 3 H3 LYS 1 H3 LYS 1 -10.841 -5.120 6.284 4 HA LYS 1 HA LYS 1 -9.278 -3.392 5.793 5 HB2 LYS 1 HB2 LYS 1 -8.495 -5.532 6.845 6 HB3 LYS 1 HB3 LYS 1 -8.061 -6.129 5.245 7 HG2 LYS 1 HG2 LYS 1 -6.562 -4.006 5.057 8 HG3 LYS 1 HG3 LYS 1 -6.868 -3.788 6.782 9 HD2 LYS 1 HD2 LYS 1 -5.925 -6.085 7.187 10 HD3 LYS 1 HD3 LYS 1 -5.586 -6.221 5.446 11 HE2 LYS 1 HE2 LYS 1 -4.173 -4.141 5.614 12 HE3 LYS 1 HE3 LYS 1 -4.449 -4.137 7.364 13 HZ1 LYS 1 HZ1 LYS 1 -2.376 -5.233 6.905 14 HZ2 LYS 1 HZ2 LYS 1 -3.412 -6.401 7.381 15 HZ3 LYS 1 HZ3 LYS 1 -3.029 -6.228 5.793 16 H LEU 2 H LEU 2 -8.720 -5.843 3.213 17 HA LEU 2 HA LEU 2 -8.466 -3.670 1.198 18 HB2 LEU 2 HB2 LEU 2 -6.532 -5.917 1.868 19 HB3 LEU 2 HB3 LEU 2 -6.481 -5.079 0.321 20 HG LEU 2 HG LEU 2 -6.234 -3.537 2.922 21 HD11 LEU 2 HD11 LEU 2 -4.012 -4.715 1.219 22 HD12 LEU 2 HD12 LEU 2 -3.803 -3.608 2.595 23 HD13 LEU 2 HD13 LEU 2 -4.451 -5.234 2.865 24 HD21 LEU 2 HD21 LEU 2 -5.137 -1.889 1.493 25 HD22 LEU 2 HD22 LEU 2 -5.288 -2.975 0.093 26 HD23 LEU 2 HD23 LEU 2 -6.736 -2.259 0.835 27 HA PRO 3 HA PRO 3 -10.804 -6.336 -1.450 28 HB2 PRO 3 HB2 PRO 3 -9.089 -5.736 -3.802 29 HB3 PRO 3 HB3 PRO 3 -10.806 -5.332 -3.520 30 HG2 PRO 3 HG2 PRO 3 -8.831 -3.438 -3.459 31 HG3 PRO 3 HG3 PRO 3 -10.262 -3.362 -2.374 32 HD2 PRO 3 HD2 PRO 3 -7.491 -4.425 -1.749 33 HD3 PRO 3 HD3 PRO 3 -8.511 -3.296 -0.810 34 HA PRO 4 HA PRO 4 -9.209 -10.359 -2.068 35 HB2 PRO 4 HB2 PRO 4 -9.857 -10.259 -5.022 36 HB3 PRO 4 HB3 PRO 4 -10.195 -11.561 -3.835 37 HG2 PRO 4 HG2 PRO 4 -12.159 -9.840 -4.516 38 HG3 PRO 4 HG3 PRO 4 -11.913 -10.250 -2.784 39 HD2 PRO 4 HD2 PRO 4 -10.977 -7.793 -4.292 40 HD3 PRO 4 HD3 PRO 4 -11.754 -7.905 -2.680 41 H GLY 5 H GLY 5 -7.230 -11.137 -2.094 42 HA2 GLY 5 HA2 GLY 5 -5.110 -11.733 -2.781 43 HA3 GLY 5 HA3 GLY 5 -5.331 -10.820 -4.283 44 H TRP 6 H TRP 6 -6.008 -8.355 -2.420 45 HA TRP 6 HA TRP 6 -3.290 -7.319 -2.414 46 HB2 TRP 6 HB2 TRP 6 -5.933 -6.136 -1.581 47 HB3 TRP 6 HB3 TRP 6 -4.395 -5.275 -1.457 48 HD1 TRP 6 HD1 TRP 6 -6.990 -6.386 -3.962 49 HE1 TRP 6 HE1 TRP 6 -6.556 -5.285 -6.243 50 HE3 TRP 6 HE3 TRP 6 -2.326 -4.498 -3.050 51 HZ2 TRP 6 HZ2 TRP 6 -4.343 -4.047 -7.584 52 HZ3 TRP 6 HZ3 TRP 6 -1.043 -3.400 -4.879 53 HH2 TRP 6 HH2 TRP 6 -2.034 -3.163 -7.142 54 H GLU 7 H GLU 7 -1.893 -6.999 -0.817 55 HA GLU 7 HA GLU 7 -2.771 -6.602 1.918 56 HB2 GLU 7 HB2 GLU 7 -2.706 -8.945 2.115 57 HB3 GLU 7 HB3 GLU 7 -1.233 -9.084 1.186 58 HG2 GLU 7 HG2 GLU 7 -0.836 -9.618 3.490 59 HG3 GLU 7 HG3 GLU 7 0.092 -8.206 3.022 60 H LYS 8 H LYS 8 -1.334 -5.505 3.186 61 HA LYS 8 HA LYS 8 0.512 -3.737 1.894 62 HB2 LYS 8 HB2 LYS 8 -0.159 -4.305 4.784 63 HB3 LYS 8 HB3 LYS 8 1.234 -3.298 4.369 64 HG2 LYS 8 HG2 LYS 8 -0.190 -1.807 3.013 65 HG3 LYS 8 HG3 LYS 8 -1.601 -2.797 3.400 66 HD2 LYS 8 HD2 LYS 8 -1.636 -0.859 4.819 67 HD3 LYS 8 HD3 LYS 8 -1.251 -2.255 5.836 68 HE2 LYS 8 HE2 LYS 8 1.171 -1.638 5.739 69 HE3 LYS 8 HE3 LYS 8 0.778 -0.270 4.692 70 HZ1 LYS 8 HZ1 LYS 8 -0.537 0.664 6.516 71 HZ2 LYS 8 HZ2 LYS 8 -0.191 -0.611 7.481 72 HZ3 LYS 8 HZ3 LYS 8 0.995 0.406 7.015 73 H ARG 9 H ARG 9 2.628 -3.480 1.951 74 HA ARG 9 HA ARG 9 4.434 -5.760 2.598 75 HB2 ARG 9 HB2 ARG 9 3.335 -5.225 0.029 76 HB3 ARG 9 HB3 ARG 9 4.893 -4.455 -0.018 77 HG2 ARG 9 HG2 ARG 9 5.005 -6.727 -0.894 78 HG3 ARG 9 HG3 ARG 9 5.999 -6.590 0.566 79 HD2 ARG 9 HD2 ARG 9 4.764 -8.704 0.473 80 HD3 ARG 9 HD3 ARG 9 4.289 -7.756 1.889 81 HE ARG 9 HE ARG 9 2.284 -7.010 0.468 82 HH11 ARG 9 HH11 ARG 9 3.583 -10.266 0.260 83 HH12 ARG 9 HH12 ARG 9 2.074 -10.902 -0.332 84 HH21 ARG 9 HH21 ARG 9 0.483 -7.848 -0.382 85 HH22 ARG 9 HH22 ARG 9 0.362 -9.561 -0.698 86 H MET 10 H MET 10 6.771 -5.097 2.098 87 HA MET 10 HA MET 10 7.381 -2.297 2.848 88 HB2 MET 10 HB2 MET 10 6.718 -3.340 4.961 89 HB3 MET 10 HB3 MET 10 7.800 -4.710 4.649 90 HG2 MET 10 HG2 MET 10 8.892 -3.371 6.244 91 HG3 MET 10 HG3 MET 10 9.751 -3.123 4.742 92 HE1 MET 10 HE1 MET 10 8.017 -1.592 7.747 93 HE2 MET 10 HE2 MET 10 7.297 -0.074 7.170 94 HE3 MET 10 HE3 MET 10 6.594 -1.633 6.683 95 H PHE 11 H PHE 11 9.224 -1.664 2.043 96 HA PHE 11 HA PHE 11 11.172 -3.494 0.857 97 HB2 PHE 11 HB2 PHE 11 10.900 -0.495 0.897 98 HB3 PHE 11 HB3 PHE 11 12.323 -1.308 0.242 99 HD1 PHE 11 HD1 PHE 11 11.781 -3.314 -1.471 100 HD2 PHE 11 HD2 PHE 11 9.245 0.099 -0.697 101 HE1 PHE 11 HE1 PHE 11 10.728 -3.582 -3.703 102 HE2 PHE 11 HE2 PHE 11 8.217 -0.170 -2.935 103 HZ PHE 11 HZ PHE 11 8.952 -2.003 -4.441 104 H ALA 12 H ALA 12 13.464 -3.440 1.208 105 HA ALA 12 HA ALA 12 14.216 -3.741 3.928 106 HB1 ALA 12 HB1 ALA 12 15.937 -3.307 1.445 107 HB2 ALA 12 HB2 ALA 12 16.486 -3.986 2.992 108 HB3 ALA 12 HB3 ALA 12 15.298 -4.867 2.016 109 H ASN 13 H ASN 13 14.153 -0.842 1.985 110 HA ASN 13 HA ASN 13 15.845 0.738 3.794 111 HB2 ASN 13 HB2 ASN 13 15.321 2.595 2.253 112 HB3 ASN 13 HB3 ASN 13 15.957 1.167 1.425 113 HD21 ASN 13 HD21 ASN 13 15.094 1.998 -0.528 114 H GLY 14 H GLY 14 12.759 -0.398 4.236 115 HA2 GLY 14 HA2 GLY 14 11.324 0.127 5.983 116 HA3 GLY 14 HA3 GLY 14 12.122 1.692 6.217 117 H THR 15 H THR 15 11.057 0.908 2.978 118 HA THR 15 HA THR 15 8.900 2.953 3.129 119 HB THR 15 HB THR 15 10.109 1.578 0.717 120 HG1 THR 15 HG1 THR 15 11.623 2.762 1.514 121 HG21 THR 15 HG21 THR 15 7.941 2.387 0.105 122 HG22 THR 15 HG22 THR 15 8.219 3.946 0.930 123 HG23 THR 15 HG23 THR 15 9.142 3.516 -0.529 124 H VAL 16 H VAL 16 6.774 2.512 2.997 125 HA VAL 16 HA VAL 16 5.889 -0.329 2.891 126 HB VAL 16 HB VAL 16 4.558 2.278 3.727 127 HG11 VAL 16 HG11 VAL 16 2.615 0.938 4.476 128 HG12 VAL 16 HG12 VAL 16 2.759 0.951 2.725 129 HG13 VAL 16 HG13 VAL 16 3.275 -0.487 3.641 130 HG21 VAL 16 HG21 VAL 16 4.457 1.193 5.933 131 HG22 VAL 16 HG22 VAL 16 5.201 -0.273 5.263 132 HG23 VAL 16 HG23 VAL 16 6.131 1.243 5.354 133 H TYR 17 H TYR 17 4.475 -1.112 1.413 134 HA TYR 17 HA TYR 17 3.156 0.597 -0.561 135 HB2 TYR 17 HB2 TYR 17 4.006 -0.520 -2.522 136 HB3 TYR 17 HB3 TYR 17 5.318 0.207 -1.649 137 HD1 TYR 17 HD1 TYR 17 6.824 -1.317 -0.174 138 HD2 TYR 17 HD2 TYR 17 4.095 -2.793 -3.185 139 HE1 TYR 17 HE1 TYR 17 8.167 -3.398 -0.384 140 HE2 TYR 17 HE2 TYR 17 5.446 -4.876 -3.378 141 HH TYR 17 HH TYR 17 8.448 -5.359 -1.501 142 H TYR 18 H TYR 18 1.938 -1.013 -2.135 143 HA TYR 18 HA TYR 18 0.589 -3.140 -0.523 144 HB2 TYR 18 HB2 TYR 18 -0.593 -1.227 -2.577 145 HB3 TYR 18 HB3 TYR 18 -1.455 -2.540 -1.764 146 HD1 TYR 18 HD1 TYR 18 0.257 0.738 -1.223 147 HD2 TYR 18 HD2 TYR 18 -2.395 -2.245 0.421 148 HE1 TYR 18 HE1 TYR 18 -0.221 2.231 0.712 149 HE2 TYR 18 HE2 TYR 18 -2.937 -0.716 2.296 150 HH TYR 18 HH TYR 18 -2.472 1.281 3.317 151 H PHE 19 H PHE 19 0.277 -5.101 -1.513 152 HA PHE 19 HA PHE 19 0.973 -5.382 -4.396 153 HB2 PHE 19 HB2 PHE 19 3.040 -5.737 -3.154 154 HB3 PHE 19 HB3 PHE 19 2.243 -6.946 -2.139 155 HD1 PHE 19 HD1 PHE 19 3.058 -6.120 -5.665 156 HD2 PHE 19 HD2 PHE 19 2.218 -9.284 -2.864 157 HE1 PHE 19 HE1 PHE 19 3.590 -7.774 -7.401 158 HE2 PHE 19 HE2 PHE 19 2.822 -10.959 -4.589 159 HZ PHE 19 HZ PHE 19 3.508 -10.224 -6.863 160 H ASN 20 H ASN 20 -0.111 -6.898 -5.502 161 HA ASN 20 HA ASN 20 -2.205 -8.432 -4.053 162 HB2 ASN 20 HB2 ASN 20 -2.805 -6.819 -5.895 163 HB3 ASN 20 HB3 ASN 20 -1.984 -7.899 -7.033 164 HD21 ASN 20 HD21 ASN 20 -4.962 -7.112 -6.037 165 HD22 ASN 20 HD22 ASN 20 -5.759 -8.674 -6.127 166 H HIS 21 H HIS 21 -1.718 -10.498 -3.581 167 HA HIS 21 HA HIS 21 0.567 -11.819 -4.790 168 HB2 HIS 21 HB2 HIS 21 0.367 -13.374 -3.139 169 HB3 HIS 21 HB3 HIS 21 -0.375 -11.977 -2.363 170 HD2 HIS 21 HD2 HIS 21 -2.896 -12.258 -1.557 171 HE1 HIS 21 HE1 HIS 21 -3.527 -16.251 -2.907 172 HE2 HIS 21 HE2 HIS 21 -4.478 -14.360 -1.493 173 H ILE 22 H ILE 22 -2.798 -11.786 -5.637 174 HA ILE 22 HA ILE 22 -2.765 -14.348 -7.087 175 HB ILE 22 HB ILE 22 -4.881 -12.161 -6.866 176 HG12 ILE 22 HG12 ILE 22 -4.586 -14.784 -5.317 177 HG13 ILE 22 HG13 ILE 22 -4.323 -13.158 -4.662 178 HG21 ILE 22 HG21 ILE 22 -5.215 -13.576 -8.858 179 HG22 ILE 22 HG22 ILE 22 -5.121 -15.036 -7.846 180 HG23 ILE 22 HG23 ILE 22 -6.461 -13.881 -7.665 181 HD11 ILE 22 HD11 ILE 22 -6.429 -13.823 -3.886 182 HD12 ILE 22 HD12 ILE 22 -6.739 -12.631 -5.164 183 HD13 ILE 22 HD13 ILE 22 -6.967 -14.369 -5.485 184 H THR 23 H THR 23 -2.814 -10.875 -7.795 185 HA THR 23 HA THR 23 -2.660 -11.395 -10.710 186 HB THR 23 HB THR 23 -3.739 -9.387 -11.118 187 HG1 THR 23 HG1 THR 23 -4.246 -8.191 -8.994 188 HG21 THR 23 HG21 THR 23 -5.811 -9.450 -9.900 189 HG22 THR 23 HG22 THR 23 -5.264 -11.120 -10.105 190 HG23 THR 23 HG23 THR 23 -5.076 -10.312 -8.533 191 H ASN 24 H ASN 24 -0.521 -10.473 -8.334 192 HA ASN 24 HA ASN 24 1.502 -9.589 -8.244 193 HB2 ASN 24 HB2 ASN 24 1.654 -10.088 -11.234 194 HB3 ASN 24 HB3 ASN 24 3.022 -9.753 -10.164 195 HD21 ASN 24 HD21 ASN 24 1.383 -12.255 -11.629 196 HD22 ASN 24 HD22 ASN 24 1.887 -13.536 -10.522 197 H ALA 25 H ALA 25 -0.882 -7.768 -9.054 198 HA ALA 25 HA ALA 25 0.365 -5.379 -10.112 199 HB1 ALA 25 HB1 ALA 25 -2.055 -5.842 -10.286 200 HB2 ALA 25 HB2 ALA 25 -2.201 -5.781 -8.516 201 HB3 ALA 25 HB3 ALA 25 -1.752 -4.322 -9.426 202 H SER 26 H SER 26 0.869 -3.434 -8.973 203 HA SER 26 HA SER 26 1.174 -3.558 -6.041 204 HB2 SER 26 HB2 SER 26 3.474 -2.743 -6.107 205 HB3 SER 26 HB3 SER 26 3.318 -4.347 -6.828 206 HG SER 26 HG SER 26 4.616 -2.986 -8.103 207 H GLN 27 H GLN 27 1.305 -1.556 -4.988 208 HA GLN 27 HA GLN 27 1.195 0.980 -6.494 209 HB2 GLN 27 HB2 GLN 27 -1.103 -0.053 -4.778 210 HB3 GLN 27 HB3 GLN 27 -0.785 1.672 -5.021 211 HG2 GLN 27 HG2 GLN 27 -1.069 1.506 -7.384 212 HG3 GLN 27 HG3 GLN 27 -1.370 -0.246 -7.276 213 HE21 GLN 27 HE21 GLN 27 -2.820 1.696 -4.688 214 HE22 GLN 27 HE22 GLN 27 -4.421 1.749 -5.430 215 H PHE 28 H PHE 28 1.712 2.815 -5.250 216 HA PHE 28 HA PHE 28 2.839 2.296 -2.573 217 HB2 PHE 28 HB2 PHE 28 3.080 4.630 -4.444 218 HB3 PHE 28 HB3 PHE 28 3.550 4.727 -2.743 219 HD1 PHE 28 HD1 PHE 28 5.322 3.211 -1.798 220 HD2 PHE 28 HD2 PHE 28 4.514 3.473 -6.029 221 HE1 PHE 28 HE1 PHE 28 7.537 2.195 -2.290 222 HE2 PHE 28 HE2 PHE 28 6.727 2.452 -6.513 223 HZ PHE 28 HZ PHE 28 8.242 1.818 -4.643 224 H GLU 29 H GLU 29 -0.094 3.504 -3.788 225 HA GLU 29 HA GLU 29 -0.948 4.301 -1.025 226 HB2 GLU 29 HB2 GLU 29 -2.082 5.197 -3.700 227 HB3 GLU 29 HB3 GLU 29 -2.804 5.522 -2.113 228 HG2 GLU 29 HG2 GLU 29 -0.715 6.704 -1.426 229 HG3 GLU 29 HG3 GLU 29 -0.064 6.474 -3.052 230 H ARG 30 H ARG 30 -3.097 3.535 -0.364 231 HA ARG 30 HA ARG 30 -3.341 0.779 -0.982 232 HB2 ARG 30 HB2 ARG 30 -5.233 0.676 0.466 233 HB3 ARG 30 HB3 ARG 30 -4.012 1.675 1.195 234 HG2 ARG 30 HG2 ARG 30 -5.206 3.572 1.133 235 HG3 ARG 30 HG3 ARG 30 -6.129 3.151 -0.329 236 HD2 ARG 30 HD2 ARG 30 -6.530 1.927 2.420 237 HD3 ARG 30 HD3 ARG 30 -7.565 3.158 1.681 238 HE ARG 30 HE ARG 30 -7.753 1.287 -0.231 239 HH11 ARG 30 HH11 ARG 30 -7.864 0.604 3.226 240 HH12 ARG 30 HH12 ARG 30 -8.701 -0.909 2.944 241 HH21 ARG 30 HH21 ARG 30 -8.931 -0.451 -0.454 242 HH22 ARG 30 HH22 ARG 30 -9.472 -1.380 0.941 243 HA PRO 31 HA PRO 31 -6.058 0.614 -4.507 244 HB2 PRO 31 HB2 PRO 31 -7.266 -1.807 -4.176 245 HB3 PRO 31 HB3 PRO 31 -5.535 -1.641 -4.622 246 HG2 PRO 31 HG2 PRO 31 -6.729 -2.069 -1.867 247 HG3 PRO 31 HG3 PRO 31 -5.377 -2.968 -2.628 248 HD2 PRO 31 HD2 PRO 31 -4.966 -0.935 -0.893 249 HD3 PRO 31 HD3 PRO 31 -3.879 -1.162 -2.274 250 H SER 32 H SER 32 -8.240 0.911 -5.096 251 HA SER 32 HA SER 32 -10.016 2.003 -3.078 252 HB2 SER 32 HB2 SER 32 -11.540 2.375 -4.979 253 HB3 SER 32 HB3 SER 32 -9.914 3.011 -5.264 254 HG SER 32 HG SER 32 -10.739 1.862 -7.069 255 H GLY 33 H GLY 33 -12.206 1.359 -2.705 256 HA2 GLY 33 HA2 GLY 33 -13.310 -1.215 -3.378 257 HA3 GLY 33 HA3 GLY 33 -12.576 -1.263 -1.774 258 H1' ALL 101 H1 ALL 34 12.179 1.454 -0.859 259 H2' ALL 101 H2 ALL 34 14.070 3.181 -2.557 260 H3' ALL 101 H3 ALL 34 12.178 3.549 -4.063 261 H4' ALL 101 H4 ALL 34 13.558 1.638 -4.653 262 H5' ALL 101 H5 ALL 34 11.788 -0.081 -2.866 263 H6'1 ALL 101 H62 ALL 34 12.921 -1.190 -4.912 264 H6'2 ALL 101 H61 ALL 34 13.276 -1.893 -3.321 265 HO'2 ALL 101 H2O ALL 34 13.100 4.192 -0.647 266 HO'3 ALL 101 H3O ALL 34 10.571 3.256 -2.373 267 HO'4 ALL 101 H4O ALL 34 10.748 1.297 -4.744 268 HO'6 ALL 101 H6O ALL 34 15.133 -0.435 -3.278 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 -10.188 -6.219 4.784 2 H2 LYS 1 H2 LYS 1 -11.605 -5.523 4.347 3 H3 LYS 1 H3 LYS 1 -11.220 -5.668 5.928 4 HA LYS 1 HA LYS 1 -10.948 -3.408 5.225 5 HB2 LYS 1 HB2 LYS 1 -9.524 -4.235 7.026 6 HB3 LYS 1 HB3 LYS 1 -8.309 -4.782 5.869 7 HG2 LYS 1 HG2 LYS 1 -7.915 -2.440 5.155 8 HG3 LYS 1 HG3 LYS 1 -9.196 -1.884 6.250 9 HD2 LYS 1 HD2 LYS 1 -7.910 -2.736 8.190 10 HD3 LYS 1 HD3 LYS 1 -6.633 -3.315 7.097 11 HE2 LYS 1 HE2 LYS 1 -6.231 -1.003 6.318 12 HE3 LYS 1 HE3 LYS 1 -7.533 -0.410 7.362 13 HZ1 LYS 1 HZ1 LYS 1 -6.255 -1.170 9.285 14 HZ2 LYS 1 HZ2 LYS 1 -5.053 -1.731 8.329 15 HZ3 LYS 1 HZ3 LYS 1 -5.360 -0.127 8.406 16 H LEU 2 H LEU 2 -8.108 -5.004 3.701 17 HA LEU 2 HA LEU 2 -8.200 -3.286 1.348 18 HB2 LEU 2 HB2 LEU 2 -6.563 -5.624 2.338 19 HB3 LEU 2 HB3 LEU 2 -6.560 -5.273 0.610 20 HG LEU 2 HG LEU 2 -5.694 -3.043 0.949 21 HD11 LEU 2 HD11 LEU 2 -6.600 -2.392 3.120 22 HD12 LEU 2 HD12 LEU 2 -5.635 -3.657 3.928 23 HD13 LEU 2 HD13 LEU 2 -4.832 -2.286 3.121 24 HD21 LEU 2 HD21 LEU 2 -3.469 -3.717 1.927 25 HD22 LEU 2 HD22 LEU 2 -4.205 -5.234 2.450 26 HD23 LEU 2 HD23 LEU 2 -4.096 -4.844 0.716 27 HA PRO 3 HA PRO 3 -10.935 -5.815 -1.162 28 HB2 PRO 3 HB2 PRO 3 -10.017 -5.346 -3.706 29 HB3 PRO 3 HB3 PRO 3 -10.859 -4.108 -2.720 30 HG2 PRO 3 HG2 PRO 3 -7.869 -4.511 -3.045 31 HG3 PRO 3 HG3 PRO 3 -8.804 -3.000 -3.246 32 HD2 PRO 3 HD2 PRO 3 -7.514 -3.604 -0.929 33 HD3 PRO 3 HD3 PRO 3 -9.111 -2.792 -0.902 34 HA PRO 4 HA PRO 4 -9.385 -9.813 -1.715 35 HB2 PRO 4 HB2 PRO 4 -10.360 -9.862 -4.580 36 HB3 PRO 4 HB3 PRO 4 -10.568 -11.098 -3.296 37 HG2 PRO 4 HG2 PRO 4 -12.588 -9.393 -3.837 38 HG3 PRO 4 HG3 PRO 4 -12.145 -9.713 -2.126 39 HD2 PRO 4 HD2 PRO 4 -11.379 -7.351 -3.860 40 HD3 PRO 4 HD3 PRO 4 -11.967 -7.374 -2.168 41 H GLY 5 H GLY 5 -7.512 -10.810 -2.051 42 HA2 GLY 5 HA2 GLY 5 -5.513 -11.491 -2.980 43 HA3 GLY 5 HA3 GLY 5 -5.841 -10.510 -4.419 44 H TRP 6 H TRP 6 -6.160 -8.048 -2.511 45 HA TRP 6 HA TRP 6 -3.344 -7.280 -2.614 46 HB2 TRP 6 HB2 TRP 6 -5.822 -5.758 -1.810 47 HB3 TRP 6 HB3 TRP 6 -4.184 -5.102 -1.764 48 HD1 TRP 6 HD1 TRP 6 -6.849 -6.239 -4.241 49 HE1 TRP 6 HE1 TRP 6 -6.361 -5.274 -6.570 50 HE3 TRP 6 HE3 TRP 6 -2.162 -4.357 -3.372 51 HZ2 TRP 6 HZ2 TRP 6 -4.163 -4.001 -7.921 52 HZ3 TRP 6 HZ3 TRP 6 -0.870 -3.314 -5.240 53 HH2 TRP 6 HH2 TRP 6 -1.856 -3.140 -7.499 54 H GLU 7 H GLU 7 -1.943 -6.851 -1.028 55 HA GLU 7 HA GLU 7 -2.677 -6.900 1.822 56 HB2 GLU 7 HB2 GLU 7 -2.370 -9.226 1.439 57 HB3 GLU 7 HB3 GLU 7 -0.974 -8.960 0.412 58 HG2 GLU 7 HG2 GLU 7 -0.357 -10.002 2.489 59 HG3 GLU 7 HG3 GLU 7 0.437 -8.458 2.276 60 H LYS 8 H LYS 8 -1.031 -6.024 3.205 61 HA LYS 8 HA LYS 8 0.593 -3.925 2.015 62 HB2 LYS 8 HB2 LYS 8 0.248 -4.975 4.829 63 HB3 LYS 8 HB3 LYS 8 1.589 -3.890 4.437 64 HG2 LYS 8 HG2 LYS 8 0.045 -2.206 3.539 65 HG3 LYS 8 HG3 LYS 8 -1.326 -3.275 3.851 66 HD2 LYS 8 HD2 LYS 8 -1.237 -1.627 5.604 67 HD3 LYS 8 HD3 LYS 8 -0.785 -3.188 6.305 68 HE2 LYS 8 HE2 LYS 8 1.628 -2.549 6.132 69 HE3 LYS 8 HE3 LYS 8 1.162 -1.004 5.410 70 HZ1 LYS 8 HZ1 LYS 8 1.569 -0.792 7.795 71 HZ2 LYS 8 HZ2 LYS 8 -0.000 -0.465 7.484 72 HZ3 LYS 8 HZ3 LYS 8 0.422 -1.899 8.146 73 H ARG 9 H ARG 9 2.702 -3.656 1.809 74 HA ARG 9 HA ARG 9 4.635 -5.884 2.201 75 HB2 ARG 9 HB2 ARG 9 3.389 -5.555 -0.250 76 HB3 ARG 9 HB3 ARG 9 4.687 -4.394 -0.405 77 HG2 ARG 9 HG2 ARG 9 5.659 -6.270 -1.301 78 HG3 ARG 9 HG3 ARG 9 6.222 -6.432 0.370 79 HD2 ARG 9 HD2 ARG 9 3.953 -7.903 -1.034 80 HD3 ARG 9 HD3 ARG 9 5.481 -8.579 -0.450 81 HE ARG 9 HE ARG 9 3.325 -7.480 1.347 82 HH11 ARG 9 HH11 ARG 9 5.105 -10.912 2.255 83 HH12 ARG 9 HH12 ARG 9 5.566 -10.131 0.763 84 HH21 ARG 9 HH21 ARG 9 2.865 -8.449 3.154 85 HH22 ARG 9 HH22 ARG 9 3.589 -9.988 3.585 86 H MET 10 H MET 10 6.925 -5.088 1.843 87 HA MET 10 HA MET 10 7.305 -2.195 2.156 88 HB2 MET 10 HB2 MET 10 6.652 -3.063 4.443 89 HB3 MET 10 HB3 MET 10 8.114 -4.070 4.411 90 HG2 MET 10 HG2 MET 10 9.463 -1.938 4.148 91 HG3 MET 10 HG3 MET 10 7.958 -1.035 4.287 92 HE1 MET 10 HE1 MET 10 10.182 -3.260 7.669 93 HE2 MET 10 HE2 MET 10 9.515 -4.155 6.290 94 HE3 MET 10 HE3 MET 10 10.799 -2.951 6.031 95 H PHE 11 H PHE 11 9.215 -1.494 1.545 96 HA PHE 11 HA PHE 11 11.223 -3.236 0.393 97 HB2 PHE 11 HB2 PHE 11 10.983 -0.247 0.731 98 HB3 PHE 11 HB3 PHE 11 12.402 -1.015 0.012 99 HD1 PHE 11 HD1 PHE 11 11.982 -2.682 -1.969 100 HD2 PHE 11 HD2 PHE 11 9.190 0.376 -0.724 101 HE1 PHE 11 HE1 PHE 11 10.915 -2.732 -4.211 102 HE2 PHE 11 HE2 PHE 11 8.138 0.312 -2.962 103 HZ PHE 11 HZ PHE 11 8.996 -1.228 -4.712 104 H ALA 12 H ALA 12 13.519 -3.207 0.851 105 HA ALA 12 HA ALA 12 14.129 -3.808 3.554 106 HB1 ALA 12 HB1 ALA 12 15.311 -4.721 1.589 107 HB2 ALA 12 HB2 ALA 12 15.982 -3.111 1.231 108 HB3 ALA 12 HB3 ALA 12 16.445 -3.963 2.720 109 H ASN 13 H ASN 13 14.159 -0.712 1.949 110 HA ASN 13 HA ASN 13 15.769 0.668 3.980 111 HB2 ASN 13 HB2 ASN 13 15.229 2.682 2.659 112 HB3 ASN 13 HB3 ASN 13 15.875 1.372 1.658 113 HD21 ASN 13 HD21 ASN 13 14.957 2.588 -0.125 114 H GLY 14 H GLY 14 12.642 -0.525 4.137 115 HA2 GLY 14 HA2 GLY 14 11.129 -0.231 5.879 116 HA3 GLY 14 HA3 GLY 14 11.899 1.295 6.343 117 H THR 15 H THR 15 10.979 0.882 2.972 118 HA THR 15 HA THR 15 8.813 2.906 3.281 119 HB THR 15 HB THR 15 10.021 1.759 0.751 120 HG1 THR 15 HG1 THR 15 11.518 2.858 1.834 121 HG21 THR 15 HG21 THR 15 9.054 3.897 -0.236 122 HG22 THR 15 HG22 THR 15 7.903 2.622 0.173 123 HG23 THR 15 HG23 THR 15 8.087 4.041 1.243 124 H VAL 16 H VAL 16 6.711 2.368 3.293 125 HA VAL 16 HA VAL 16 5.925 -0.454 2.813 126 HB VAL 16 HB VAL 16 4.539 1.905 4.138 127 HG11 VAL 16 HG11 VAL 16 2.759 0.526 3.158 128 HG12 VAL 16 HG12 VAL 16 3.492 -0.944 3.846 129 HG13 VAL 16 HG13 VAL 16 2.811 0.314 4.903 130 HG21 VAL 16 HG21 VAL 16 6.367 0.855 5.456 131 HG22 VAL 16 HG22 VAL 16 4.782 0.552 6.184 132 HG23 VAL 16 HG23 VAL 16 5.585 -0.731 5.260 133 H TYR 17 H TYR 17 4.405 -1.107 1.404 134 HA TYR 17 HA TYR 17 2.866 0.717 -0.293 135 HB2 TYR 17 HB2 TYR 17 3.700 -0.127 -2.393 136 HB3 TYR 17 HB3 TYR 17 5.010 0.575 -1.497 137 HD1 TYR 17 HD1 TYR 17 6.706 -0.958 -0.326 138 HD2 TYR 17 HD2 TYR 17 3.817 -2.370 -3.208 139 HE1 TYR 17 HE1 TYR 17 8.149 -2.921 -0.818 140 HE2 TYR 17 HE2 TYR 17 5.264 -4.341 -3.686 141 HH TYR 17 HH TYR 17 8.464 -4.741 -2.142 142 H TYR 18 H TYR 18 1.766 -0.973 -2.047 143 HA TYR 18 HA TYR 18 0.606 -3.215 -0.438 144 HB2 TYR 18 HB2 TYR 18 -0.842 -1.284 -2.285 145 HB3 TYR 18 HB3 TYR 18 -1.560 -2.628 -1.382 146 HD1 TYR 18 HD1 TYR 18 -0.077 0.761 -1.122 147 HD2 TYR 18 HD2 TYR 18 -2.001 -2.439 1.032 148 HE1 TYR 18 HE1 TYR 18 -0.344 2.250 0.859 149 HE2 TYR 18 HE2 TYR 18 -2.299 -0.945 2.993 150 HH TYR 18 HH TYR 18 -1.882 1.121 3.881 151 H PHE 19 H PHE 19 0.148 -5.081 -1.498 152 HA PHE 19 HA PHE 19 1.027 -5.401 -4.342 153 HB2 PHE 19 HB2 PHE 19 2.942 -5.744 -2.892 154 HB3 PHE 19 HB3 PHE 19 2.013 -6.870 -1.886 155 HD1 PHE 19 HD1 PHE 19 3.185 -6.305 -5.369 156 HD2 PHE 19 HD2 PHE 19 2.022 -9.234 -2.428 157 HE1 PHE 19 HE1 PHE 19 3.834 -8.091 -6.919 158 HE2 PHE 19 HE2 PHE 19 2.745 -11.046 -3.963 159 HZ PHE 19 HZ PHE 19 3.650 -10.495 -6.215 160 H ASN 20 H ASN 20 -0.133 -6.822 -5.539 161 HA ASN 20 HA ASN 20 -2.278 -8.362 -4.184 162 HB2 ASN 20 HB2 ASN 20 -2.787 -6.854 -6.133 163 HB3 ASN 20 HB3 ASN 20 -1.869 -7.970 -7.159 164 HD21 ASN 20 HD21 ASN 20 -5.668 -8.869 -6.266 165 HD22 ASN 20 HD22 ASN 20 -4.957 -7.282 -5.980 166 H HIS 21 H HIS 21 -1.888 -10.419 -3.630 167 HA HIS 21 HA HIS 21 0.510 -11.779 -4.542 168 HB2 HIS 21 HB2 HIS 21 0.124 -13.285 -2.865 169 HB3 HIS 21 HB3 HIS 21 -0.643 -11.837 -2.216 170 HD2 HIS 21 HD2 HIS 21 -3.240 -12.015 -1.646 171 HE1 HIS 21 HE1 HIS 21 -3.856 -16.050 -2.870 172 HE2 HIS 21 HE2 HIS 21 -4.884 -14.070 -1.644 173 H ILE 22 H ILE 22 -2.745 -11.782 -5.725 174 HA ILE 22 HA ILE 22 -2.622 -14.417 -7.011 175 HB ILE 22 HB ILE 22 -4.694 -12.191 -7.244 176 HG12 ILE 22 HG12 ILE 22 -4.638 -14.563 -5.316 177 HG13 ILE 22 HG13 ILE 22 -4.414 -12.862 -4.868 178 HG21 ILE 22 HG21 ILE 22 -6.210 -13.981 -7.984 179 HG22 ILE 22 HG22 ILE 22 -4.814 -13.886 -9.041 180 HG23 ILE 22 HG23 ILE 22 -4.900 -15.175 -7.819 181 HD11 ILE 22 HD11 ILE 22 -6.609 -13.432 -4.259 182 HD12 ILE 22 HD12 ILE 22 -6.733 -12.376 -5.681 183 HD13 ILE 22 HD13 ILE 22 -6.978 -14.136 -5.843 184 H THR 23 H THR 23 -2.503 -10.996 -7.936 185 HA THR 23 HA THR 23 -2.004 -11.694 -10.778 186 HB THR 23 HB THR 23 -2.963 -9.660 -11.409 187 HG1 THR 23 HG1 THR 23 -3.744 -8.351 -9.491 188 HG21 THR 23 HG21 THR 23 -4.631 -11.366 -10.574 189 HG22 THR 23 HG22 THR 23 -4.673 -10.497 -9.024 190 HG23 THR 23 HG23 THR 23 -5.190 -9.687 -10.517 191 H ASN 24 H ASN 24 -0.163 -10.677 -8.200 192 HA ASN 24 HA ASN 24 1.853 -9.822 -7.901 193 HB2 ASN 24 HB2 ASN 24 2.364 -10.453 -10.826 194 HB3 ASN 24 HB3 ASN 24 3.595 -10.102 -9.604 195 HD21 ASN 24 HD21 ASN 24 2.124 -12.631 -11.179 196 HD22 ASN 24 HD22 ASN 24 2.438 -13.875 -9.964 197 H ALA 25 H ALA 25 -0.376 -8.003 -9.025 198 HA ALA 25 HA ALA 25 1.015 -5.679 -10.057 199 HB1 ALA 25 HB1 ALA 25 -1.694 -5.951 -8.679 200 HB2 ALA 25 HB2 ALA 25 -1.129 -4.557 -9.625 201 HB3 ALA 25 HB3 ALA 25 -1.399 -6.119 -10.424 202 H SER 26 H SER 26 1.478 -3.705 -8.938 203 HA SER 26 HA SER 26 1.481 -3.733 -5.979 204 HB2 SER 26 HB2 SER 26 3.784 -2.969 -5.841 205 HB3 SER 26 HB3 SER 26 3.683 -4.573 -6.576 206 HG SER 26 HG SER 26 5.111 -3.232 -7.719 207 H GLN 27 H GLN 27 1.403 -1.676 -4.996 208 HA GLN 27 HA GLN 27 1.604 0.765 -6.586 209 HB2 GLN 27 HB2 GLN 27 -0.645 1.497 -6.440 210 HB3 GLN 27 HB3 GLN 27 -0.684 -0.126 -7.134 211 HG2 GLN 27 HG2 GLN 27 -1.421 -1.061 -4.977 212 HG3 GLN 27 HG3 GLN 27 -1.308 0.527 -4.237 213 HE21 GLN 27 HE21 GLN 27 -3.322 1.362 -3.949 214 HE22 GLN 27 HE22 GLN 27 -4.625 1.279 -5.153 215 H PHE 28 H PHE 28 1.534 2.716 -5.320 216 HA PHE 28 HA PHE 28 2.482 2.258 -2.598 217 HB2 PHE 28 HB2 PHE 28 2.597 4.631 -4.423 218 HB3 PHE 28 HB3 PHE 28 3.008 4.743 -2.709 219 HD1 PHE 28 HD1 PHE 28 4.125 3.526 -5.974 220 HD2 PHE 28 HD2 PHE 28 4.908 3.447 -1.729 221 HE1 PHE 28 HE1 PHE 28 6.426 2.701 -6.412 222 HE2 PHE 28 HE2 PHE 28 7.209 2.629 -2.176 223 HZ PHE 28 HZ PHE 28 7.973 2.259 -4.515 224 H GLU 29 H GLU 29 -0.455 3.633 -3.862 225 HA GLU 29 HA GLU 29 -1.295 4.619 -1.181 226 HB2 GLU 29 HB2 GLU 29 -2.665 4.689 -3.898 227 HB3 GLU 29 HB3 GLU 29 -3.348 5.355 -2.422 228 HG2 GLU 29 HG2 GLU 29 -0.763 6.283 -3.753 229 HG3 GLU 29 HG3 GLU 29 -2.332 7.065 -3.891 230 H ARG 30 H ARG 30 -3.269 3.868 -0.158 231 HA ARG 30 HA ARG 30 -3.378 1.036 -0.055 232 HB2 ARG 30 HB2 ARG 30 -4.059 2.832 1.726 233 HB3 ARG 30 HB3 ARG 30 -5.643 2.767 0.963 234 HG2 ARG 30 HG2 ARG 30 -4.973 0.040 1.358 235 HG3 ARG 30 HG3 ARG 30 -4.266 0.866 2.751 236 HD2 ARG 30 HD2 ARG 30 -6.319 0.369 3.572 237 HD3 ARG 30 HD3 ARG 30 -6.651 1.992 2.952 238 HE ARG 30 HE ARG 30 -7.262 0.289 0.815 239 HH11 ARG 30 HH11 ARG 30 -8.453 0.416 4.124 240 HH12 ARG 30 HH12 ARG 30 -9.873 -0.511 3.701 241 HH21 ARG 30 HH21 ARG 30 -9.025 -0.813 0.398 242 HH22 ARG 30 HH22 ARG 30 -10.110 -1.334 1.691 243 HA PRO 31 HA PRO 31 -6.163 0.442 -3.577 244 HB2 PRO 31 HB2 PRO 31 -6.469 -2.288 -3.442 245 HB3 PRO 31 HB3 PRO 31 -5.010 -1.482 -4.094 246 HG2 PRO 31 HG2 PRO 31 -5.455 -2.613 -1.323 247 HG3 PRO 31 HG3 PRO 31 -4.025 -2.807 -2.389 248 HD2 PRO 31 HD2 PRO 31 -4.071 -0.997 -0.385 249 HD3 PRO 31 HD3 PRO 31 -3.264 -0.637 -1.941 250 H SER 32 H SER 32 -8.363 -0.103 -3.986 251 HA SER 32 HA SER 32 -10.119 -0.995 -1.805 252 HB2 SER 32 HB2 SER 32 -9.850 1.446 -1.399 253 HB3 SER 32 HB3 SER 32 -10.466 1.764 -3.032 254 HG SER 32 HG SER 32 -12.097 1.877 -1.415 255 H GLY 33 H GLY 33 -12.240 -1.525 -2.516 256 HA2 GLY 33 HA2 GLY 33 -13.182 -1.422 -5.226 257 HA3 GLY 33 HA3 GLY 33 -12.386 -2.972 -4.935 258 H1' ALL 101 H1 ALL 34 12.066 1.962 -0.531 259 H2' ALL 101 H2 ALL 34 13.827 4.095 -1.854 260 H3' ALL 101 H3 ALL 34 11.909 4.676 -3.240 261 H4' ALL 101 H4 ALL 34 13.380 2.994 -4.202 262 H5' ALL 101 H5 ALL 34 11.686 0.874 -2.808 263 H6'1 ALL 101 H62 ALL 34 12.825 0.249 -5.051 264 H6'2 ALL 101 H61 ALL 34 13.219 -0.754 -3.639 265 HO'2 ALL 101 H2O ALL 34 11.738 4.244 0.073 266 HO'3 ALL 101 H3O ALL 34 10.197 4.093 -1.896 267 HO'4 ALL 101 H4O ALL 34 10.586 2.575 -4.387 268 HO'6 ALL 101 H6O ALL 34 15.030 0.729 -3.309 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 -10.467 -3.898 7.010 2 H2 LYS 1 H2 LYS 1 -11.310 -4.145 5.626 3 H3 LYS 1 H3 LYS 1 -10.450 -2.771 5.822 4 HA LYS 1 HA LYS 1 -8.385 -3.958 5.828 5 HB2 LYS 1 HB2 LYS 1 -9.341 -6.021 6.853 6 HB3 LYS 1 HB3 LYS 1 -10.126 -6.410 5.328 7 HG2 LYS 1 HG2 LYS 1 -8.154 -7.773 5.671 8 HG3 LYS 1 HG3 LYS 1 -7.933 -6.763 4.257 9 HD2 LYS 1 HD2 LYS 1 -6.597 -5.149 5.776 10 HD3 LYS 1 HD3 LYS 1 -6.692 -6.388 7.027 11 HE2 LYS 1 HE2 LYS 1 -5.464 -6.738 4.247 12 HE3 LYS 1 HE3 LYS 1 -4.556 -6.393 5.717 13 HZ1 LYS 1 HZ1 LYS 1 -6.152 -8.848 5.248 14 HZ2 LYS 1 HZ2 LYS 1 -4.519 -8.728 5.208 15 HZ3 LYS 1 HZ3 LYS 1 -5.318 -8.513 6.622 16 H LEU 2 H LEU 2 -7.274 -4.652 3.827 17 HA LEU 2 HA LEU 2 -8.037 -3.261 1.485 18 HB2 LEU 2 HB2 LEU 2 -5.986 -5.374 2.230 19 HB3 LEU 2 HB3 LEU 2 -6.259 -5.013 0.526 20 HG LEU 2 HG LEU 2 -5.798 -2.611 0.933 21 HD11 LEU 2 HD11 LEU 2 -4.972 -3.557 3.713 22 HD12 LEU 2 HD12 LEU 2 -4.506 -2.003 2.996 23 HD13 LEU 2 HD13 LEU 2 -6.215 -2.342 3.317 24 HD21 LEU 2 HD21 LEU 2 -3.523 -4.390 1.875 25 HD22 LEU 2 HD22 LEU 2 -4.068 -4.295 0.188 26 HD23 LEU 2 HD23 LEU 2 -3.445 -2.853 0.975 27 HA PRO 3 HA PRO 3 -10.763 -5.978 -0.729 28 HB2 PRO 3 HB2 PRO 3 -10.075 -5.590 -3.359 29 HB3 PRO 3 HB3 PRO 3 -10.850 -4.323 -2.354 30 HG2 PRO 3 HG2 PRO 3 -7.883 -4.719 -2.886 31 HG3 PRO 3 HG3 PRO 3 -8.843 -3.230 -3.114 32 HD2 PRO 3 HD2 PRO 3 -7.417 -3.636 -0.862 33 HD3 PRO 3 HD3 PRO 3 -9.047 -2.907 -0.755 34 HA PRO 4 HA PRO 4 -9.114 -9.976 -1.379 35 HB2 PRO 4 HB2 PRO 4 -10.397 -10.065 -4.118 36 HB3 PRO 4 HB3 PRO 4 -10.416 -11.305 -2.822 37 HG2 PRO 4 HG2 PRO 4 -12.550 -9.683 -3.146 38 HG3 PRO 4 HG3 PRO 4 -11.920 -9.987 -1.491 39 HD2 PRO 4 HD2 PRO 4 -11.433 -7.592 -3.282 40 HD3 PRO 4 HD3 PRO 4 -11.839 -7.642 -1.538 41 H GLY 5 H GLY 5 -7.296 -10.982 -2.034 42 HA2 GLY 5 HA2 GLY 5 -5.364 -11.499 -3.197 43 HA3 GLY 5 HA3 GLY 5 -5.853 -10.409 -4.509 44 H TRP 6 H TRP 6 -6.125 -8.072 -2.609 45 HA TRP 6 HA TRP 6 -3.322 -7.240 -2.638 46 HB2 TRP 6 HB2 TRP 6 -5.874 -5.781 -1.932 47 HB3 TRP 6 HB3 TRP 6 -4.256 -5.082 -1.849 48 HD1 TRP 6 HD1 TRP 6 -6.827 -6.231 -4.416 49 HE1 TRP 6 HE1 TRP 6 -6.237 -5.244 -6.712 50 HE3 TRP 6 HE3 TRP 6 -2.176 -4.401 -3.320 51 HZ2 TRP 6 HZ2 TRP 6 -3.938 -4.034 -7.967 52 HZ3 TRP 6 HZ3 TRP 6 -0.778 -3.389 -5.104 53 HH2 TRP 6 HH2 TRP 6 -1.641 -3.195 -7.424 54 H GLU 7 H GLU 7 -1.978 -6.798 -0.986 55 HA GLU 7 HA GLU 7 -2.888 -6.767 1.818 56 HB2 GLU 7 HB2 GLU 7 -2.468 -9.168 1.225 57 HB3 GLU 7 HB3 GLU 7 -0.823 -8.753 0.763 58 HG2 GLU 7 HG2 GLU 7 -0.959 -9.831 2.970 59 HG3 GLU 7 HG3 GLU 7 -0.251 -8.230 3.073 60 H LYS 8 H LYS 8 -1.194 -5.985 3.299 61 HA LYS 8 HA LYS 8 0.496 -3.889 2.231 62 HB2 LYS 8 HB2 LYS 8 0.151 -5.135 4.962 63 HB3 LYS 8 HB3 LYS 8 1.534 -4.082 4.632 64 HG2 LYS 8 HG2 LYS 8 0.050 -2.271 3.888 65 HG3 LYS 8 HG3 LYS 8 -1.365 -3.297 4.163 66 HD2 LYS 8 HD2 LYS 8 -1.137 -1.768 6.016 67 HD3 LYS 8 HD3 LYS 8 -0.778 -3.400 6.596 68 HE2 LYS 8 HE2 LYS 8 1.661 -2.916 6.439 69 HE3 LYS 8 HE3 LYS 8 1.307 -1.303 5.812 70 HZ1 LYS 8 HZ1 LYS 8 1.743 -1.257 8.199 71 HZ2 LYS 8 HZ2 LYS 8 0.199 -0.801 7.924 72 HZ3 LYS 8 HZ3 LYS 8 0.522 -2.297 8.499 73 H ARG 9 H ARG 9 2.594 -3.656 2.014 74 HA ARG 9 HA ARG 9 4.478 -5.951 2.142 75 HB2 ARG 9 HB2 ARG 9 3.135 -5.510 -0.169 76 HB3 ARG 9 HB3 ARG 9 4.317 -4.234 -0.351 77 HG2 ARG 9 HG2 ARG 9 5.071 -6.169 -1.534 78 HG3 ARG 9 HG3 ARG 9 6.139 -6.000 -0.123 79 HD2 ARG 9 HD2 ARG 9 4.949 -7.803 1.029 80 HD3 ARG 9 HD3 ARG 9 3.698 -7.824 -0.238 81 HE ARG 9 HE ARG 9 6.392 -8.314 -1.254 82 HH11 ARG 9 HH11 ARG 9 6.829 -10.268 -2.199 83 HH12 ARG 9 HH12 ARG 9 5.794 -11.636 -1.895 84 HH21 ARG 9 HH21 ARG 9 3.639 -9.954 0.173 85 HH22 ARG 9 HH22 ARG 9 4.035 -11.468 -0.599 86 H MET 10 H MET 10 6.780 -5.174 1.814 87 HA MET 10 HA MET 10 7.224 -2.302 2.217 88 HB2 MET 10 HB2 MET 10 6.611 -3.197 4.490 89 HB3 MET 10 HB3 MET 10 8.028 -4.262 4.398 90 HG2 MET 10 HG2 MET 10 9.469 -2.201 4.171 91 HG3 MET 10 HG3 MET 10 8.013 -1.221 4.329 92 HE1 MET 10 HE1 MET 10 10.129 -3.596 7.679 93 HE2 MET 10 HE2 MET 10 9.406 -4.440 6.296 94 HE3 MET 10 HE3 MET 10 10.754 -3.308 6.041 95 H PHE 11 H PHE 11 9.114 -1.618 1.553 96 HA PHE 11 HA PHE 11 11.029 -3.373 0.278 97 HB2 PHE 11 HB2 PHE 11 10.869 -0.385 0.670 98 HB3 PHE 11 HB3 PHE 11 12.226 -1.171 -0.143 99 HD1 PHE 11 HD1 PHE 11 9.039 0.318 -0.682 100 HD2 PHE 11 HD2 PHE 11 11.619 -2.850 -2.091 101 HE1 PHE 11 HE1 PHE 11 7.841 0.293 -2.849 102 HE2 PHE 11 HE2 PHE 11 10.416 -2.856 -4.264 103 HZ PHE 11 HZ PHE 11 8.530 -1.278 -4.647 104 H ALA 12 H ALA 12 13.359 -3.340 0.582 105 HA ALA 12 HA ALA 12 14.153 -4.009 3.223 106 HB1 ALA 12 HB1 ALA 12 15.834 -3.228 0.798 107 HB2 ALA 12 HB2 ALA 12 16.410 -4.108 2.230 108 HB3 ALA 12 HB3 ALA 12 15.211 -4.856 1.160 109 H ASN 13 H ASN 13 14.064 -0.875 1.681 110 HA ASN 13 HA ASN 13 15.750 0.461 3.682 111 HB2 ASN 13 HB2 ASN 13 15.188 2.508 2.423 112 HB3 ASN 13 HB3 ASN 13 15.822 1.217 1.391 113 HD21 ASN 13 HD21 ASN 13 14.924 2.251 -0.432 114 H GLY 14 H GLY 14 12.683 -0.770 3.980 115 HA2 GLY 14 HA2 GLY 14 11.258 -0.534 5.792 116 HA3 GLY 14 HA3 GLY 14 12.046 0.983 6.258 117 H THR 15 H THR 15 10.952 0.725 2.941 118 HA THR 15 HA THR 15 8.820 2.741 3.446 119 HB THR 15 HB THR 15 9.990 1.689 0.849 120 HG1 THR 15 HG1 THR 15 11.488 2.807 1.772 121 HG21 THR 15 HG21 THR 15 7.791 2.527 0.365 122 HG22 THR 15 HG22 THR 15 8.057 3.979 1.370 123 HG23 THR 15 HG23 THR 15 8.966 3.744 -0.142 124 H VAL 16 H VAL 16 6.716 2.236 3.499 125 HA VAL 16 HA VAL 16 5.867 -0.552 2.938 126 HB VAL 16 HB VAL 16 4.550 1.766 4.396 127 HG11 VAL 16 HG11 VAL 16 2.732 0.436 3.420 128 HG12 VAL 16 HG12 VAL 16 3.475 -1.063 4.026 129 HG13 VAL 16 HG13 VAL 16 2.834 0.154 5.153 130 HG21 VAL 16 HG21 VAL 16 5.621 -0.915 5.383 131 HG22 VAL 16 HG22 VAL 16 6.410 0.662 5.618 132 HG23 VAL 16 HG23 VAL 16 4.847 0.331 6.382 133 H TYR 17 H TYR 17 4.308 -1.124 1.550 134 HA TYR 17 HA TYR 17 2.749 0.765 -0.060 135 HB2 TYR 17 HB2 TYR 17 3.581 0.030 -2.188 136 HB3 TYR 17 HB3 TYR 17 4.923 0.637 -1.276 137 HD1 TYR 17 HD1 TYR 17 6.510 -1.097 -0.119 138 HD2 TYR 17 HD2 TYR 17 3.677 -2.083 -3.220 139 HE1 TYR 17 HE1 TYR 17 7.855 -3.107 -0.725 140 HE2 TYR 17 HE2 TYR 17 5.018 -4.091 -3.812 141 HH TYR 17 HH TYR 17 6.967 -5.231 -3.445 142 H TYR 18 H TYR 18 1.653 -0.933 -1.855 143 HA TYR 18 HA TYR 18 0.591 -3.249 -0.271 144 HB2 TYR 18 HB2 TYR 18 -0.956 -1.446 -2.161 145 HB3 TYR 18 HB3 TYR 18 -1.598 -2.719 -1.113 146 HD1 TYR 18 HD1 TYR 18 -0.774 0.788 -1.384 147 HD2 TYR 18 HD2 TYR 18 -1.338 -2.398 1.464 148 HE1 TYR 18 HE1 TYR 18 -1.098 2.466 0.424 149 HE2 TYR 18 HE2 TYR 18 -1.724 -0.718 3.263 150 HH TYR 18 HH TYR 18 -1.406 2.790 2.667 151 H PHE 19 H PHE 19 0.154 -5.088 -1.408 152 HA PHE 19 HA PHE 19 1.088 -5.320 -4.242 153 HB2 PHE 19 HB2 PHE 19 2.982 -5.662 -2.760 154 HB3 PHE 19 HB3 PHE 19 2.063 -6.855 -1.821 155 HD1 PHE 19 HD1 PHE 19 3.288 -6.114 -5.259 156 HD2 PHE 19 HD2 PHE 19 2.164 -9.185 -2.447 157 HE1 PHE 19 HE1 PHE 19 4.034 -7.826 -6.853 158 HE2 PHE 19 HE2 PHE 19 2.978 -10.918 -4.029 159 HZ PHE 19 HZ PHE 19 3.918 -10.256 -6.234 160 H ASN 20 H ASN 20 0.034 -6.780 -5.474 161 HA ASN 20 HA ASN 20 -2.183 -8.316 -4.241 162 HB2 ASN 20 HB2 ASN 20 -2.551 -6.790 -6.201 163 HB3 ASN 20 HB3 ASN 20 -1.571 -7.890 -7.182 164 HD21 ASN 20 HD21 ASN 20 -4.672 -7.122 -6.671 165 HD22 ASN 20 HD22 ASN 20 -5.403 -8.712 -6.892 166 H HIS 21 H HIS 21 -1.765 -10.360 -3.624 167 HA HIS 21 HA HIS 21 0.660 -11.720 -4.459 168 HB2 HIS 21 HB2 HIS 21 0.226 -13.225 -2.795 169 HB3 HIS 21 HB3 HIS 21 -0.567 -11.780 -2.170 170 HD2 HIS 21 HD2 HIS 21 -3.172 -11.976 -1.664 171 HE1 HIS 21 HE1 HIS 21 -3.737 -16.009 -2.917 172 HE2 HIS 21 HE2 HIS 21 -4.804 -14.041 -1.708 173 H ILE 22 H ILE 22 -2.560 -11.728 -5.736 174 HA ILE 22 HA ILE 22 -2.386 -14.357 -7.037 175 HB ILE 22 HB ILE 22 -4.471 -12.143 -7.265 176 HG12 ILE 22 HG12 ILE 22 -4.439 -14.582 -5.424 177 HG13 ILE 22 HG13 ILE 22 -4.232 -12.897 -4.912 178 HG21 ILE 22 HG21 ILE 22 -4.550 -13.765 -9.125 179 HG22 ILE 22 HG22 ILE 22 -4.638 -15.105 -7.957 180 HG23 ILE 22 HG23 ILE 22 -5.959 -13.921 -8.095 181 HD11 ILE 22 HD11 ILE 22 -6.535 -12.392 -5.758 182 HD12 ILE 22 HD12 ILE 22 -6.770 -14.147 -5.978 183 HD13 ILE 22 HD13 ILE 22 -6.437 -13.490 -4.367 184 H THR 23 H THR 23 -2.274 -10.927 -7.927 185 HA THR 23 HA THR 23 -1.737 -11.602 -10.767 186 HB THR 23 HB THR 23 -2.737 -9.610 -11.418 187 HG1 THR 23 HG1 THR 23 -3.536 -8.293 -9.495 188 HG21 THR 23 HG21 THR 23 -4.433 -10.423 -9.014 189 HG22 THR 23 HG22 THR 23 -4.963 -9.636 -10.513 190 HG23 THR 23 HG23 THR 23 -4.392 -11.311 -10.553 191 H ASN 24 H ASN 24 0.058 -10.549 -8.170 192 HA ASN 24 HA ASN 24 2.046 -9.640 -7.849 193 HB2 ASN 24 HB2 ASN 24 2.613 -10.244 -10.769 194 HB3 ASN 24 HB3 ASN 24 3.815 -9.869 -9.526 195 HD21 ASN 24 HD21 ASN 24 2.431 -12.423 -11.140 196 HD22 ASN 24 HD22 ASN 24 2.766 -13.668 -9.932 197 H ALA 25 H ALA 25 -0.225 -7.888 -9.045 198 HA ALA 25 HA ALA 25 1.130 -5.513 -10.003 199 HB1 ALA 25 HB1 ALA 25 -1.252 -6.014 -10.462 200 HB2 ALA 25 HB2 ALA 25 -1.614 -5.879 -8.726 201 HB3 ALA 25 HB3 ALA 25 -1.058 -4.457 -9.633 202 H SER 26 H SER 26 1.388 -3.501 -8.840 203 HA SER 26 HA SER 26 1.444 -3.619 -5.882 204 HB2 SER 26 HB2 SER 26 3.699 -2.732 -5.764 205 HB3 SER 26 HB3 SER 26 3.670 -4.314 -6.556 206 HG SER 26 HG SER 26 4.995 -2.844 -7.677 207 H GLN 27 H GLN 27 1.336 -1.615 -4.825 208 HA GLN 27 HA GLN 27 1.118 0.892 -6.368 209 HB2 GLN 27 HB2 GLN 27 -1.232 -0.432 -4.957 210 HB3 GLN 27 HB3 GLN 27 -1.098 1.324 -5.069 211 HG2 GLN 27 HG2 GLN 27 -0.907 1.159 -7.534 212 HG3 GLN 27 HG3 GLN 27 -1.304 -0.566 -7.423 213 HE21 GLN 27 HE21 GLN 27 -4.359 1.885 -7.721 214 HE22 GLN 27 HE22 GLN 27 -2.731 2.157 -8.353 215 H PHE 28 H PHE 28 1.662 2.668 -5.238 216 HA PHE 28 HA PHE 28 2.387 2.431 -2.400 217 HB2 PHE 28 HB2 PHE 28 2.641 4.683 -4.394 218 HB3 PHE 28 HB3 PHE 28 3.003 4.860 -2.675 219 HD1 PHE 28 HD1 PHE 28 4.850 3.523 -1.589 220 HD2 PHE 28 HD2 PHE 28 4.225 3.587 -5.862 221 HE1 PHE 28 HE1 PHE 28 7.167 2.707 -1.950 222 HE2 PHE 28 HE2 PHE 28 6.543 2.767 -6.211 223 HZ PHE 28 HZ PHE 28 8.020 2.339 -4.254 224 H GLU 29 H GLU 29 -0.315 3.632 -4.218 225 HA GLU 29 HA GLU 29 -1.592 4.913 -1.884 226 HB2 GLU 29 HB2 GLU 29 -1.835 6.101 -3.923 227 HB3 GLU 29 HB3 GLU 29 -2.214 4.645 -4.827 228 HG2 GLU 29 HG2 GLU 29 -4.138 6.023 -4.667 229 HG3 GLU 29 HG3 GLU 29 -4.423 4.503 -3.840 230 H ARG 30 H ARG 30 -3.551 4.192 -0.994 231 HA ARG 30 HA ARG 30 -3.720 1.424 -0.448 232 HB2 ARG 30 HB2 ARG 30 -5.094 3.857 0.335 233 HB3 ARG 30 HB3 ARG 30 -6.300 2.634 0.019 234 HG2 ARG 30 HG2 ARG 30 -3.990 2.444 1.975 235 HG3 ARG 30 HG3 ARG 30 -5.703 2.666 2.356 236 HD2 ARG 30 HD2 ARG 30 -4.374 0.171 1.243 237 HD3 ARG 30 HD3 ARG 30 -5.075 0.381 2.829 238 HE ARG 30 HE ARG 30 -6.523 -0.059 0.273 239 HH11 ARG 30 HH11 ARG 30 -8.573 -0.574 0.282 240 HH12 ARG 30 HH12 ARG 30 -9.532 -0.540 1.756 241 HH21 ARG 30 HH21 ARG 30 -6.949 0.665 3.690 242 HH22 ARG 30 HH22 ARG 30 -8.622 0.177 3.644 243 HA PRO 31 HA PRO 31 -6.124 0.153 -4.124 244 HB2 PRO 31 HB2 PRO 31 -6.231 -2.538 -3.640 245 HB3 PRO 31 HB3 PRO 31 -4.773 -1.720 -4.279 246 HG2 PRO 31 HG2 PRO 31 -5.384 -2.446 -1.401 247 HG3 PRO 31 HG3 PRO 31 -3.879 -2.762 -2.324 248 HD2 PRO 31 HD2 PRO 31 -4.083 -0.646 -0.669 249 HD3 PRO 31 HD3 PRO 31 -3.224 -0.504 -2.228 250 H SER 32 H SER 32 -8.304 -0.448 -4.441 251 HA SER 32 HA SER 32 -10.032 -1.097 -2.138 252 HB2 SER 32 HB2 SER 32 -11.508 0.806 -2.501 253 HB3 SER 32 HB3 SER 32 -9.880 1.349 -2.074 254 HG SER 32 HG SER 32 -10.731 2.537 -3.821 255 H GLY 33 H GLY 33 -12.262 -1.549 -2.755 256 HA2 GLY 33 HA2 GLY 33 -13.264 -1.892 -5.370 257 HA3 GLY 33 HA3 GLY 33 -12.456 -3.400 -4.933 258 H1' ALL 101 H1 ALL 34 11.993 1.800 -0.762 259 H2' ALL 101 H2 ALL 34 13.881 3.707 -2.259 260 H3' ALL 101 H3 ALL 34 11.966 4.302 -3.661 261 H4' ALL 101 H4 ALL 34 13.306 2.469 -4.528 262 H5' ALL 101 H5 ALL 34 11.535 0.548 -2.959 263 H6'1 ALL 101 H62 ALL 34 12.621 -0.284 -5.156 264 H6'2 ALL 101 H61 ALL 34 12.996 -1.202 -3.684 265 HO'2 ALL 101 H2O ALL 34 12.977 4.481 -0.217 266 HO'3 ALL 101 H3O ALL 34 10.386 3.807 -1.992 267 HO'4 ALL 101 H4O ALL 34 10.490 2.201 -4.616 268 HO'6 ALL 101 H6O ALL 34 14.871 0.216 -3.476 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 -11.184 -4.719 6.082 2 H2 LYS 1 H2 LYS 1 -11.387 -3.671 4.838 3 H3 LYS 1 H3 LYS 1 -11.228 -5.278 4.542 4 HA LYS 1 HA LYS 1 -9.175 -3.525 5.711 5 HB2 LYS 1 HB2 LYS 1 -8.898 -5.761 6.570 6 HB3 LYS 1 HB3 LYS 1 -8.999 -6.462 4.952 7 HG2 LYS 1 HG2 LYS 1 -6.897 -5.336 4.308 8 HG3 LYS 1 HG3 LYS 1 -6.798 -4.566 5.901 9 HD2 LYS 1 HD2 LYS 1 -6.467 -6.735 6.970 10 HD3 LYS 1 HD3 LYS 1 -6.812 -7.584 5.443 11 HE2 LYS 1 HE2 LYS 1 -4.866 -6.457 4.383 12 HE3 LYS 1 HE3 LYS 1 -4.479 -5.666 5.915 13 HZ1 LYS 1 HZ1 LYS 1 -3.200 -7.718 5.434 14 HZ2 LYS 1 HZ2 LYS 1 -4.006 -7.812 6.869 15 HZ3 LYS 1 HZ3 LYS 1 -4.560 -8.610 5.548 16 H LEU 2 H LEU 2 -9.354 -5.669 2.829 17 HA LEU 2 HA LEU 2 -8.643 -3.462 1.002 18 HB2 LEU 2 HB2 LEU 2 -6.887 -5.846 1.735 19 HB3 LEU 2 HB3 LEU 2 -6.721 -5.038 0.182 20 HG LEU 2 HG LEU 2 -6.332 -3.593 2.825 21 HD11 LEU 2 HD11 LEU 2 -4.657 -5.394 2.490 22 HD12 LEU 2 HD12 LEU 2 -4.248 -4.699 0.909 23 HD13 LEU 2 HD13 LEU 2 -3.950 -3.773 2.398 24 HD21 LEU 2 HD21 LEU 2 -6.895 -2.120 0.890 25 HD22 LEU 2 HD22 LEU 2 -5.223 -1.908 1.419 26 HD23 LEU 2 HD23 LEU 2 -5.577 -2.866 -0.037 27 HA PRO 3 HA PRO 3 -10.890 -6.024 -1.893 28 HB2 PRO 3 HB2 PRO 3 -8.947 -5.540 -4.085 29 HB3 PRO 3 HB3 PRO 3 -10.662 -5.058 -3.965 30 HG2 PRO 3 HG2 PRO 3 -8.594 -3.259 -3.750 31 HG3 PRO 3 HG3 PRO 3 -10.139 -3.081 -2.861 32 HD2 PRO 3 HD2 PRO 3 -7.504 -4.186 -1.863 33 HD3 PRO 3 HD3 PRO 3 -8.629 -3.048 -1.064 34 HA PRO 4 HA PRO 4 -9.340 -10.108 -2.270 35 HB2 PRO 4 HB2 PRO 4 -9.852 -10.075 -5.253 36 HB3 PRO 4 HB3 PRO 4 -10.277 -11.333 -4.047 37 HG2 PRO 4 HG2 PRO 4 -12.163 -9.587 -4.874 38 HG3 PRO 4 HG3 PRO 4 -12.013 -9.954 -3.121 39 HD2 PRO 4 HD2 PRO 4 -10.941 -7.562 -4.643 40 HD3 PRO 4 HD3 PRO 4 -11.804 -7.613 -3.074 41 H GLY 5 H GLY 5 -7.374 -10.920 -2.195 42 HA2 GLY 5 HA2 GLY 5 -5.250 -11.588 -2.802 43 HA3 GLY 5 HA3 GLY 5 -5.391 -10.688 -4.322 44 H TRP 6 H TRP 6 -6.066 -8.186 -2.477 45 HA TRP 6 HA TRP 6 -3.326 -7.224 -2.450 46 HB2 TRP 6 HB2 TRP 6 -5.938 -5.959 -1.658 47 HB3 TRP 6 HB3 TRP 6 -4.376 -5.142 -1.510 48 HD1 TRP 6 HD1 TRP 6 -6.898 -6.311 -4.079 49 HE1 TRP 6 HE1 TRP 6 -6.398 -5.268 -6.374 50 HE3 TRP 6 HE3 TRP 6 -2.294 -4.335 -3.058 51 HZ2 TRP 6 HZ2 TRP 6 -4.143 -4.059 -7.677 52 HZ3 TRP 6 HZ3 TRP 6 -0.960 -3.276 -4.875 53 HH2 TRP 6 HH2 TRP 6 -1.859 -3.145 -7.182 54 H GLU 7 H GLU 7 -1.931 -6.888 -0.875 55 HA GLU 7 HA GLU 7 -2.655 -6.908 1.975 56 HB2 GLU 7 HB2 GLU 7 -2.392 -9.251 1.605 57 HB3 GLU 7 HB3 GLU 7 -0.990 -9.016 0.581 58 HG2 GLU 7 HG2 GLU 7 -0.385 -10.055 2.656 59 HG3 GLU 7 HG3 GLU 7 0.418 -8.512 2.460 60 H LYS 8 H LYS 8 -0.954 -6.091 3.344 61 HA LYS 8 HA LYS 8 0.668 -4.020 2.095 62 HB2 LYS 8 HB2 LYS 8 0.352 -4.986 4.941 63 HB3 LYS 8 HB3 LYS 8 1.653 -3.870 4.497 64 HG2 LYS 8 HG2 LYS 8 0.051 -2.274 3.554 65 HG3 LYS 8 HG3 LYS 8 -1.285 -3.379 3.896 66 HD2 LYS 8 HD2 LYS 8 -1.276 -1.684 5.594 67 HD3 LYS 8 HD3 LYS 8 -0.740 -3.192 6.353 68 HE2 LYS 8 HE2 LYS 8 1.639 -2.426 6.128 69 HE3 LYS 8 HE3 LYS 8 1.073 -0.938 5.364 70 HZ1 LYS 8 HZ1 LYS 8 0.413 -1.780 8.135 71 HZ2 LYS 8 HZ2 LYS 8 1.489 -0.621 7.736 72 HZ3 LYS 8 HZ3 LYS 8 -0.098 -0.397 7.428 73 H ARG 9 H ARG 9 2.760 -3.746 1.903 74 HA ARG 9 HA ARG 9 4.692 -5.988 2.218 75 HB2 ARG 9 HB2 ARG 9 3.437 -5.929 -0.079 76 HB3 ARG 9 HB3 ARG 9 4.316 -4.441 -0.383 77 HG2 ARG 9 HG2 ARG 9 5.432 -6.231 -1.491 78 HG3 ARG 9 HG3 ARG 9 6.474 -5.755 -0.137 79 HD2 ARG 9 HD2 ARG 9 5.606 -7.687 1.175 80 HD3 ARG 9 HD3 ARG 9 4.556 -8.140 -0.180 81 HE ARG 9 HE ARG 9 7.445 -8.566 0.094 82 HH11 ARG 9 HH11 ARG 9 8.528 -9.770 -1.409 83 HH12 ARG 9 HH12 ARG 9 7.780 -10.131 -2.941 84 HH21 ARG 9 HH21 ARG 9 4.865 -8.460 -2.291 85 HH22 ARG 9 HH22 ARG 9 5.770 -9.417 -3.427 86 H MET 10 H MET 10 6.989 -5.178 1.869 87 HA MET 10 HA MET 10 7.350 -2.277 2.165 88 HB2 MET 10 HB2 MET 10 6.719 -3.145 4.457 89 HB3 MET 10 HB3 MET 10 8.185 -4.145 4.416 90 HG2 MET 10 HG2 MET 10 9.521 -2.004 4.137 91 HG3 MET 10 HG3 MET 10 8.012 -1.112 4.295 92 HE1 MET 10 HE1 MET 10 10.302 -3.313 7.646 93 HE2 MET 10 HE2 MET 10 9.630 -4.216 6.273 94 HE3 MET 10 HE3 MET 10 10.893 -2.993 6.001 95 H PHE 11 H PHE 11 9.239 -1.561 1.530 96 HA PHE 11 HA PHE 11 11.255 -3.286 0.368 97 HB2 PHE 11 HB2 PHE 11 10.985 -0.299 0.690 98 HB3 PHE 11 HB3 PHE 11 12.401 -1.056 -0.047 99 HD1 PHE 11 HD1 PHE 11 9.145 0.277 -0.729 100 HD2 PHE 11 HD2 PHE 11 11.979 -2.726 -2.016 101 HE1 PHE 11 HE1 PHE 11 8.049 0.177 -2.942 102 HE2 PHE 11 HE2 PHE 11 10.870 -2.808 -4.238 103 HZ PHE 11 HZ PHE 11 8.908 -1.350 -4.706 104 H ALA 12 H ALA 12 13.553 -3.230 0.795 105 HA ALA 12 HA ALA 12 14.209 -3.800 3.495 106 HB1 ALA 12 HB1 ALA 12 15.369 -4.721 1.521 107 HB2 ALA 12 HB2 ALA 12 16.016 -3.109 1.134 108 HB3 ALA 12 HB3 ALA 12 16.514 -3.938 2.624 109 H ASN 13 H ASN 13 14.178 -0.719 1.865 110 HA ASN 13 HA ASN 13 15.809 0.696 3.851 111 HB2 ASN 13 HB2 ASN 13 15.221 2.692 2.524 112 HB3 ASN 13 HB3 ASN 13 15.865 1.382 1.524 113 HD21 ASN 13 HD21 ASN 13 14.899 2.565 -0.257 114 H GLY 14 H GLY 14 12.702 -0.533 4.081 115 HA2 GLY 14 HA2 GLY 14 11.218 -0.243 5.851 116 HA3 GLY 14 HA3 GLY 14 11.982 1.295 6.290 117 H THR 15 H THR 15 10.990 0.827 2.944 118 HA THR 15 HA THR 15 8.816 2.842 3.271 119 HB THR 15 HB THR 15 9.985 1.676 0.732 120 HG1 THR 15 HG1 THR 15 11.490 2.804 1.771 121 HG21 THR 15 HG21 THR 15 8.973 3.784 -0.265 122 HG22 THR 15 HG22 THR 15 7.842 2.508 0.193 123 HG23 THR 15 HG23 THR 15 8.037 3.947 1.233 124 H VAL 16 H VAL 16 6.731 2.266 3.383 125 HA VAL 16 HA VAL 16 5.943 -0.553 2.881 126 HB VAL 16 HB VAL 16 4.604 1.783 4.291 127 HG11 VAL 16 HG11 VAL 16 2.780 0.465 3.317 128 HG12 VAL 16 HG12 VAL 16 3.506 -1.039 3.935 129 HG13 VAL 16 HG13 VAL 16 2.872 0.193 5.051 130 HG21 VAL 16 HG21 VAL 16 6.442 0.668 5.540 131 HG22 VAL 16 HG22 VAL 16 4.867 0.370 6.292 132 HG23 VAL 16 HG23 VAL 16 5.628 -0.900 5.318 133 H TYR 17 H TYR 17 4.397 -1.183 1.489 134 HA TYR 17 HA TYR 17 2.812 0.670 -0.137 135 HB2 TYR 17 HB2 TYR 17 3.648 -0.080 -2.263 136 HB3 TYR 17 HB3 TYR 17 4.973 0.567 -1.346 137 HD1 TYR 17 HD1 TYR 17 6.643 -1.048 -0.233 138 HD2 TYR 17 HD2 TYR 17 3.750 -2.271 -3.195 139 HE1 TYR 17 HE1 TYR 17 8.066 -2.998 -0.826 140 HE2 TYR 17 HE2 TYR 17 5.169 -4.235 -3.766 141 HH TYR 17 HH TYR 17 8.386 -4.714 -2.292 142 H TYR 18 H TYR 18 1.696 -0.956 -1.901 143 HA TYR 18 HA TYR 18 0.578 -3.256 -0.360 144 HB2 TYR 18 HB2 TYR 18 -0.859 -1.324 -2.211 145 HB3 TYR 18 HB3 TYR 18 -1.570 -2.741 -1.423 146 HD1 TYR 18 HD1 TYR 18 -0.165 0.646 -0.862 147 HD2 TYR 18 HD2 TYR 18 -2.148 -2.733 0.951 148 HE1 TYR 18 HE1 TYR 18 -0.473 1.957 1.217 149 HE2 TYR 18 HE2 TYR 18 -2.525 -1.387 3.018 150 HH TYR 18 HH TYR 18 -1.224 1.916 3.387 151 H PHE 19 H PHE 19 0.215 -5.146 -1.389 152 HA PHE 19 HA PHE 19 1.055 -5.437 -4.242 153 HB2 PHE 19 HB2 PHE 19 3.013 -5.784 -2.850 154 HB3 PHE 19 HB3 PHE 19 2.127 -6.944 -1.844 155 HD1 PHE 19 HD1 PHE 19 3.242 -6.281 -5.328 156 HD2 PHE 19 HD2 PHE 19 2.057 -9.292 -2.475 157 HE1 PHE 19 HE1 PHE 19 3.834 -8.028 -6.949 158 HE2 PHE 19 HE2 PHE 19 2.729 -11.062 -4.080 159 HZ PHE 19 HZ PHE 19 3.614 -10.449 -6.323 160 H ASN 20 H ASN 20 -0.055 -6.894 -5.420 161 HA ASN 20 HA ASN 20 -2.230 -8.395 -4.061 162 HB2 ASN 20 HB2 ASN 20 -2.699 -6.822 -5.970 163 HB3 ASN 20 HB3 ASN 20 -1.838 -7.949 -7.033 164 HD21 ASN 20 HD21 ASN 20 -4.857 -7.094 -6.184 165 HD22 ASN 20 HD22 ASN 20 -5.667 -8.651 -6.269 166 H HIS 21 H HIS 21 -1.794 -10.448 -3.493 167 HA HIS 21 HA HIS 21 0.517 -11.850 -4.535 168 HB2 HIS 21 HB2 HIS 21 0.182 -13.359 -2.861 169 HB3 HIS 21 HB3 HIS 21 -0.570 -11.926 -2.166 170 HD2 HIS 21 HD2 HIS 21 -3.131 -12.143 -1.487 171 HE1 HIS 21 HE1 HIS 21 -3.783 -16.143 -2.804 172 HE2 HIS 21 HE2 HIS 21 -4.765 -14.207 -1.474 173 H ILE 22 H ILE 22 -2.793 -11.776 -5.575 174 HA ILE 22 HA ILE 22 -2.742 -14.376 -6.949 175 HB ILE 22 HB ILE 22 -4.801 -12.125 -6.946 176 HG12 ILE 22 HG12 ILE 22 -4.695 -14.682 -5.267 177 HG13 ILE 22 HG13 ILE 22 -4.409 -13.040 -4.665 178 HG21 ILE 22 HG21 ILE 22 -5.048 -13.621 -8.889 179 HG22 ILE 22 HG22 ILE 22 -5.063 -15.035 -7.810 180 HG23 ILE 22 HG23 ILE 22 -6.378 -13.836 -7.768 181 HD11 ILE 22 HD11 ILE 22 -6.762 -12.439 -5.332 182 HD12 ILE 22 HD12 ILE 22 -7.045 -14.177 -5.608 183 HD13 ILE 22 HD13 ILE 22 -6.582 -13.597 -3.998 184 H THR 23 H THR 23 -2.644 -10.927 -7.758 185 HA THR 23 HA THR 23 -2.308 -11.536 -10.641 186 HB THR 23 HB THR 23 -3.289 -9.504 -11.173 187 HG1 THR 23 HG1 THR 23 -3.904 -8.234 -9.130 188 HG21 THR 23 HG21 THR 23 -5.441 -9.470 -10.104 189 HG22 THR 23 HG22 THR 23 -4.936 -11.163 -10.215 190 HG23 THR 23 HG23 THR 23 -4.831 -10.303 -8.662 191 H ASN 24 H ASN 24 -0.308 -10.618 -8.147 192 HA ASN 24 HA ASN 24 1.732 -9.796 -7.934 193 HB2 ASN 24 HB2 ASN 24 2.073 -10.384 -10.892 194 HB3 ASN 24 HB3 ASN 24 3.377 -10.043 -9.746 195 HD21 ASN 24 HD21 ASN 24 1.794 -12.560 -11.238 196 HD22 ASN 24 HD22 ASN 24 2.190 -13.812 -10.056 197 H ALA 25 H ALA 25 -0.531 -7.926 -8.951 198 HA ALA 25 HA ALA 25 0.853 -5.603 -9.979 199 HB1 ALA 25 HB1 ALA 25 -1.570 -5.998 -10.283 200 HB2 ALA 25 HB2 ALA 25 -1.814 -5.871 -8.526 201 HB3 ALA 25 HB3 ALA 25 -1.261 -4.460 -9.453 202 H SER 26 H SER 26 1.343 -3.645 -8.859 203 HA SER 26 HA SER 26 1.454 -3.709 -5.903 204 HB2 SER 26 HB2 SER 26 3.732 -2.853 -5.851 205 HB3 SER 26 HB3 SER 26 3.653 -4.462 -6.575 206 HG SER 26 HG SER 26 4.988 -3.068 -7.781 207 H GLN 27 H GLN 27 1.411 -1.683 -4.885 208 HA GLN 27 HA GLN 27 1.169 0.805 -6.440 209 HB2 GLN 27 HB2 GLN 27 -1.019 -0.196 -6.800 210 HB3 GLN 27 HB3 GLN 27 -1.182 -0.557 -5.082 211 HG2 GLN 27 HG2 GLN 27 -2.586 1.312 -5.665 212 HG3 GLN 27 HG3 GLN 27 -1.319 1.815 -4.555 213 HE21 GLN 27 HE21 GLN 27 -2.092 1.768 -8.096 214 HE22 GLN 27 HE22 GLN 27 -1.152 3.224 -8.437 215 H PHE 28 H PHE 28 1.275 2.668 -5.180 216 HA PHE 28 HA PHE 28 2.205 2.308 -2.384 217 HB2 PHE 28 HB2 PHE 28 2.499 4.593 -4.333 218 HB3 PHE 28 HB3 PHE 28 2.902 4.714 -2.617 219 HD1 PHE 28 HD1 PHE 28 4.793 3.427 -1.622 220 HD2 PHE 28 HD2 PHE 28 3.938 3.340 -5.854 221 HE1 PHE 28 HE1 PHE 28 7.067 2.535 -2.072 222 HE2 PHE 28 HE2 PHE 28 6.212 2.443 -6.292 223 HZ PHE 28 HZ PHE 28 7.782 2.053 -4.405 224 H GLU 29 H GLU 29 -0.292 4.185 -4.096 225 HA GLU 29 HA GLU 29 -1.412 5.279 -1.613 226 HB2 GLU 29 HB2 GLU 29 -1.539 6.513 -3.714 227 HB3 GLU 29 HB3 GLU 29 -2.461 5.201 -4.469 228 HG2 GLU 29 HG2 GLU 29 -4.311 5.552 -2.870 229 HG3 GLU 29 HG3 GLU 29 -3.373 6.796 -2.037 230 H ARG 30 H ARG 30 -2.757 4.180 -0.231 231 HA ARG 30 HA ARG 30 -3.119 1.465 -0.601 232 HB2 ARG 30 HB2 ARG 30 -4.374 1.339 1.364 233 HB3 ARG 30 HB3 ARG 30 -3.072 2.485 1.575 234 HG2 ARG 30 HG2 ARG 30 -4.397 4.272 1.931 235 HG3 ARG 30 HG3 ARG 30 -5.704 3.722 0.867 236 HD2 ARG 30 HD2 ARG 30 -5.074 2.551 3.597 237 HD3 ARG 30 HD3 ARG 30 -6.380 3.698 3.243 238 HE ARG 30 HE ARG 30 -6.845 1.646 1.450 239 HH11 ARG 30 HH11 ARG 30 -7.974 -0.100 1.652 240 HH12 ARG 30 HH12 ARG 30 -8.205 -0.915 3.188 241 HH21 ARG 30 HH21 ARG 30 -6.502 1.538 4.953 242 HH22 ARG 30 HH22 ARG 30 -7.440 0.066 5.047 243 HA PRO 31 HA PRO 31 -6.806 0.950 -3.123 244 HB2 PRO 31 HB2 PRO 31 -6.899 -1.726 -1.763 245 HB3 PRO 31 HB3 PRO 31 -7.016 -1.349 -3.510 246 HG2 PRO 31 HG2 PRO 31 -4.725 -2.362 -2.470 247 HG3 PRO 31 HG3 PRO 31 -4.651 -1.018 -3.660 248 HD2 PRO 31 HD2 PRO 31 -4.468 -0.851 -0.632 249 HD3 PRO 31 HD3 PRO 31 -3.455 -0.073 -1.877 250 H SER 32 H SER 32 -9.139 0.771 -2.803 251 HA SER 32 HA SER 32 -10.084 1.699 -0.218 252 HB2 SER 32 HB2 SER 32 -11.090 2.413 -2.350 253 HB3 SER 32 HB3 SER 32 -11.643 0.753 -2.649 254 HG SER 32 HG SER 32 -13.254 2.096 -1.692 255 H GLY 33 H GLY 33 -11.148 0.612 1.415 256 HA2 GLY 33 HA2 GLY 33 -12.447 -1.878 1.320 257 HA3 GLY 33 HA3 GLY 33 -10.771 -2.221 1.745 258 H1' ALL 101 H1 ALL 34 12.014 1.881 -0.607 259 H2' ALL 101 H2 ALL 34 13.702 4.045 -1.977 260 H3' ALL 101 H3 ALL 34 11.741 4.572 -3.327 261 H4' ALL 101 H4 ALL 34 13.241 2.923 -4.305 262 H5' ALL 101 H5 ALL 34 11.624 0.768 -2.875 263 H6'1 ALL 101 H62 ALL 34 12.740 0.159 -5.131 264 H6'2 ALL 101 H61 ALL 34 13.187 -0.824 -3.723 265 HO'2 ALL 101 H2O ALL 34 11.646 4.163 -0.011 266 HO'3 ALL 101 H3O ALL 34 10.065 3.954 -1.959 267 HO'4 ALL 101 H4O ALL 34 10.457 2.423 -4.445 268 HO'6 ALL 101 H6O ALL 34 14.965 0.706 -3.434 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 -11.865 -4.421 4.360 2 H2 LYS 1 H2 LYS 1 -11.532 -5.272 5.714 3 H3 LYS 1 H3 LYS 1 -11.157 -5.896 4.250 4 HA LYS 1 HA LYS 1 -9.970 -3.494 5.479 5 HB2 LYS 1 HB2 LYS 1 -9.256 -5.655 6.531 6 HB3 LYS 1 HB3 LYS 1 -8.604 -6.168 4.973 7 HG2 LYS 1 HG2 LYS 1 -7.127 -4.058 5.032 8 HG3 LYS 1 HG3 LYS 1 -7.752 -3.767 6.655 9 HD2 LYS 1 HD2 LYS 1 -5.650 -4.820 6.934 10 HD3 LYS 1 HD3 LYS 1 -6.848 -6.069 7.306 11 HE2 LYS 1 HE2 LYS 1 -6.568 -7.000 5.002 12 HE3 LYS 1 HE3 LYS 1 -5.425 -5.702 4.625 13 HZ1 LYS 1 HZ1 LYS 1 -3.992 -6.584 6.416 14 HZ2 LYS 1 HZ2 LYS 1 -5.015 -7.844 6.631 15 HZ3 LYS 1 HZ3 LYS 1 -4.213 -7.660 5.210 16 H LEU 2 H LEU 2 -9.196 -5.825 2.842 17 HA LEU 2 HA LEU 2 -8.736 -3.580 0.954 18 HB2 LEU 2 HB2 LEU 2 -6.870 -5.860 1.727 19 HB3 LEU 2 HB3 LEU 2 -6.718 -5.054 0.169 20 HG LEU 2 HG LEU 2 -6.537 -3.539 2.798 21 HD11 LEU 2 HD11 LEU 2 -4.108 -3.563 2.472 22 HD12 LEU 2 HD12 LEU 2 -4.716 -5.222 2.626 23 HD13 LEU 2 HD13 LEU 2 -4.289 -4.584 1.027 24 HD21 LEU 2 HD21 LEU 2 -5.456 -1.830 1.393 25 HD22 LEU 2 HD22 LEU 2 -5.653 -2.871 -0.038 26 HD23 LEU 2 HD23 LEU 2 -7.071 -2.179 0.763 27 HA PRO 3 HA PRO 3 -10.883 -6.159 -1.958 28 HB2 PRO 3 HB2 PRO 3 -8.941 -5.587 -4.131 29 HB3 PRO 3 HB3 PRO 3 -10.670 -5.156 -4.018 30 HG2 PRO 3 HG2 PRO 3 -8.657 -3.307 -3.761 31 HG3 PRO 3 HG3 PRO 3 -10.211 -3.185 -2.864 32 HD2 PRO 3 HD2 PRO 3 -7.550 -4.237 -1.884 33 HD3 PRO 3 HD3 PRO 3 -8.705 -3.133 -1.077 34 HA PRO 4 HA PRO 4 -9.258 -10.198 -2.376 35 HB2 PRO 4 HB2 PRO 4 -9.723 -10.127 -5.365 36 HB3 PRO 4 HB3 PRO 4 -10.131 -11.418 -4.188 37 HG2 PRO 4 HG2 PRO 4 -12.051 -9.703 -5.004 38 HG3 PRO 4 HG3 PRO 4 -11.910 -10.098 -3.257 39 HD2 PRO 4 HD2 PRO 4 -10.887 -7.652 -4.724 40 HD3 PRO 4 HD3 PRO 4 -11.757 -7.756 -3.161 41 H GLY 5 H GLY 5 -7.268 -10.906 -2.219 42 HA2 GLY 5 HA2 GLY 5 -5.123 -11.541 -2.776 43 HA3 GLY 5 HA3 GLY 5 -5.251 -10.670 -4.313 44 H TRP 6 H TRP 6 -6.003 -8.123 -2.604 45 HA TRP 6 HA TRP 6 -3.278 -7.126 -2.488 46 HB2 TRP 6 HB2 TRP 6 -5.921 -5.867 -1.782 47 HB3 TRP 6 HB3 TRP 6 -4.366 -5.040 -1.638 48 HD1 TRP 6 HD1 TRP 6 -6.854 -6.303 -4.194 49 HE1 TRP 6 HE1 TRP 6 -6.381 -5.285 -6.503 50 HE3 TRP 6 HE3 TRP 6 -2.351 -4.054 -3.189 51 HZ2 TRP 6 HZ2 TRP 6 -4.198 -3.990 -7.815 52 HZ3 TRP 6 HZ3 TRP 6 -1.138 -2.832 -5.002 53 HH2 TRP 6 HH2 TRP 6 -2.014 -2.854 -7.320 54 H GLU 7 H GLU 7 -1.924 -6.903 -0.876 55 HA GLU 7 HA GLU 7 -2.812 -6.716 1.943 56 HB2 GLU 7 HB2 GLU 7 -0.769 -8.704 0.864 57 HB3 GLU 7 HB3 GLU 7 -0.866 -8.258 2.558 58 HG2 GLU 7 HG2 GLU 7 -3.070 -9.639 0.980 59 HG3 GLU 7 HG3 GLU 7 -1.943 -10.404 2.084 60 H LYS 8 H LYS 8 -1.096 -5.891 3.372 61 HA LYS 8 HA LYS 8 0.534 -3.803 2.165 62 HB2 LYS 8 HB2 LYS 8 0.237 -4.846 4.989 63 HB3 LYS 8 HB3 LYS 8 1.554 -3.745 4.553 64 HG2 LYS 8 HG2 LYS 8 -0.025 -2.086 3.692 65 HG3 LYS 8 HG3 LYS 8 -1.381 -3.172 4.011 66 HD2 LYS 8 HD2 LYS 8 -1.328 -1.547 5.770 67 HD3 LYS 8 HD3 LYS 8 -0.793 -3.084 6.470 68 HE2 LYS 8 HE2 LYS 8 1.590 -2.328 6.220 69 HE3 LYS 8 HE3 LYS 8 1.018 -0.806 5.528 70 HZ1 LYS 8 HZ1 LYS 8 1.487 -0.588 7.900 71 HZ2 LYS 8 HZ2 LYS 8 -0.107 -0.345 7.638 72 HZ3 LYS 8 HZ3 LYS 8 0.413 -1.757 8.277 73 H ARG 9 H ARG 9 2.635 -3.587 1.962 74 HA ARG 9 HA ARG 9 4.486 -5.914 2.123 75 HB2 ARG 9 HB2 ARG 9 3.112 -5.521 -0.166 76 HB3 ARG 9 HB3 ARG 9 4.284 -4.244 -0.402 77 HG2 ARG 9 HG2 ARG 9 5.024 -6.197 -1.564 78 HG3 ARG 9 HG3 ARG 9 6.119 -5.999 -0.180 79 HD2 ARG 9 HD2 ARG 9 4.983 -7.788 1.028 80 HD3 ARG 9 HD3 ARG 9 3.686 -7.831 -0.191 81 HE ARG 9 HE ARG 9 6.364 -8.334 -1.266 82 HH11 ARG 9 HH11 ARG 9 6.747 -10.278 -2.255 83 HH12 ARG 9 HH12 ARG 9 5.691 -11.630 -1.959 84 HH21 ARG 9 HH21 ARG 9 3.600 -9.946 0.171 85 HH22 ARG 9 HH22 ARG 9 3.956 -11.452 -0.633 86 H MET 10 H MET 10 6.790 -5.170 1.670 87 HA MET 10 HA MET 10 7.310 -2.336 2.309 88 HB2 MET 10 HB2 MET 10 7.985 -4.604 4.225 89 HB3 MET 10 HB3 MET 10 8.643 -2.959 4.326 90 HG2 MET 10 HG2 MET 10 6.297 -2.100 4.521 91 HG3 MET 10 HG3 MET 10 5.743 -3.767 4.685 92 HE1 MET 10 HE1 MET 10 7.219 -4.893 8.112 93 HE2 MET 10 HE2 MET 10 6.195 -5.320 6.724 94 HE3 MET 10 HE3 MET 10 7.958 -5.173 6.523 95 H PHE 11 H PHE 11 9.187 -1.610 1.738 96 HA PHE 11 HA PHE 11 11.143 -3.274 0.342 97 HB2 PHE 11 HB2 PHE 11 10.853 -0.302 0.757 98 HB3 PHE 11 HB3 PHE 11 12.255 -1.024 -0.038 99 HD1 PHE 11 HD1 PHE 11 8.945 0.254 -0.582 100 HD2 PHE 11 HD2 PHE 11 11.823 -2.617 -2.051 101 HE1 PHE 11 HE1 PHE 11 7.780 0.186 -2.765 102 HE2 PHE 11 HE2 PHE 11 10.646 -2.667 -4.239 103 HZ PHE 11 HZ PHE 11 8.628 -1.257 -4.600 104 H ALA 12 H ALA 12 13.430 -3.260 0.708 105 HA ALA 12 HA ALA 12 14.189 -3.825 3.387 106 HB1 ALA 12 HB1 ALA 12 15.257 -4.774 1.375 107 HB2 ALA 12 HB2 ALA 12 15.899 -3.169 0.946 108 HB3 ALA 12 HB3 ALA 12 16.455 -3.990 2.422 109 H ASN 13 H ASN 13 14.110 -0.761 1.725 110 HA ASN 13 HA ASN 13 15.849 0.655 3.612 111 HB2 ASN 13 HB2 ASN 13 15.236 2.642 2.296 112 HB3 ASN 13 HB3 ASN 13 15.793 1.308 1.276 113 HD21 ASN 13 HD21 ASN 13 14.774 2.437 -0.484 114 H GLY 14 H GLY 14 12.751 -0.532 4.031 115 HA2 GLY 14 HA2 GLY 14 11.400 -0.211 5.902 116 HA3 GLY 14 HA3 GLY 14 12.197 1.329 6.261 117 H THR 15 H THR 15 10.980 0.845 3.002 118 HA THR 15 HA THR 15 8.820 2.844 3.462 119 HB THR 15 HB THR 15 9.851 1.673 0.864 120 HG1 THR 15 HG1 THR 15 11.407 2.824 1.755 121 HG21 THR 15 HG21 THR 15 7.689 2.471 0.403 122 HG22 THR 15 HG22 THR 15 7.887 3.905 1.453 123 HG23 THR 15 HG23 THR 15 8.769 3.783 -0.080 124 H VAL 16 H VAL 16 6.682 2.404 3.356 125 HA VAL 16 HA VAL 16 5.795 -0.413 3.021 126 HB VAL 16 HB VAL 16 4.284 2.015 4.045 127 HG11 VAL 16 HG11 VAL 16 2.673 0.368 4.949 128 HG12 VAL 16 HG12 VAL 16 2.703 0.344 3.192 129 HG13 VAL 16 HG13 VAL 16 3.533 -0.940 4.102 130 HG21 VAL 16 HG21 VAL 16 5.505 -0.297 5.606 131 HG22 VAL 16 HG22 VAL 16 6.090 1.383 5.611 132 HG23 VAL 16 HG23 VAL 16 4.497 0.996 6.274 133 H TYR 17 H TYR 17 4.355 -1.086 1.521 134 HA TYR 17 HA TYR 17 2.855 0.754 -0.190 135 HB2 TYR 17 HB2 TYR 17 3.703 -0.024 -2.283 136 HB3 TYR 17 HB3 TYR 17 5.051 0.562 -1.367 137 HD1 TYR 17 HD1 TYR 17 6.565 -1.202 -0.151 138 HD2 TYR 17 HD2 TYR 17 3.783 -2.138 -3.318 139 HE1 TYR 17 HE1 TYR 17 7.893 -3.231 -0.740 140 HE2 TYR 17 HE2 TYR 17 5.103 -4.162 -3.886 141 HH TYR 17 HH TYR 17 7.027 -5.332 -3.485 142 H TYR 18 H TYR 18 1.796 -0.982 -1.955 143 HA TYR 18 HA TYR 18 0.626 -3.212 -0.350 144 HB2 TYR 18 HB2 TYR 18 -0.801 -1.317 -2.253 145 HB3 TYR 18 HB3 TYR 18 -1.523 -2.681 -1.386 146 HD1 TYR 18 HD1 TYR 18 -2.031 -2.552 1.009 147 HD2 TYR 18 HD2 TYR 18 -0.134 0.732 -1.052 148 HE1 TYR 18 HE1 TYR 18 -2.386 -1.085 2.993 149 HE2 TYR 18 HE2 TYR 18 -0.441 2.176 0.942 150 HH TYR 18 HH TYR 18 -1.110 2.250 3.135 151 H PHE 19 H PHE 19 0.201 -5.101 -1.390 152 HA PHE 19 HA PHE 19 1.047 -5.418 -4.235 153 HB2 PHE 19 HB2 PHE 19 3.021 -5.752 -2.885 154 HB3 PHE 19 HB3 PHE 19 2.152 -6.899 -1.845 155 HD1 PHE 19 HD1 PHE 19 3.161 -6.300 -5.379 156 HD2 PHE 19 HD2 PHE 19 2.143 -9.252 -2.403 157 HE1 PHE 19 HE1 PHE 19 3.730 -8.081 -6.971 158 HE2 PHE 19 HE2 PHE 19 2.786 -11.053 -3.984 159 HZ PHE 19 HZ PHE 19 3.574 -10.487 -6.275 160 H ASN 20 H ASN 20 -0.064 -6.855 -5.400 161 HA ASN 20 HA ASN 20 -2.236 -8.363 -4.056 162 HB2 ASN 20 HB2 ASN 20 -2.686 -6.790 -5.968 163 HB3 ASN 20 HB3 ASN 20 -1.809 -7.912 -7.024 164 HD21 ASN 20 HD21 ASN 20 -4.824 -7.053 -6.274 165 HD22 ASN 20 HD22 ASN 20 -5.644 -8.604 -6.349 166 H HIS 21 H HIS 21 -1.748 -10.400 -3.448 167 HA HIS 21 HA HIS 21 0.552 -11.798 -4.511 168 HB2 HIS 21 HB2 HIS 21 0.241 -13.304 -2.827 169 HB3 HIS 21 HB3 HIS 21 -0.503 -11.866 -2.131 170 HD2 HIS 21 HD2 HIS 21 -3.055 -12.078 -1.418 171 HE1 HIS 21 HE1 HIS 21 -3.720 -16.090 -2.693 172 HE2 HIS 21 HE2 HIS 21 -4.686 -14.145 -1.366 173 H ILE 22 H ILE 22 -2.760 -11.746 -5.534 174 HA ILE 22 HA ILE 22 -2.705 -14.363 -6.879 175 HB ILE 22 HB ILE 22 -4.782 -12.130 -6.856 176 HG12 ILE 22 HG12 ILE 22 -4.642 -14.697 -5.196 177 HG13 ILE 22 HG13 ILE 22 -4.346 -13.060 -4.587 178 HG21 ILE 22 HG21 ILE 22 -5.031 -15.038 -7.733 179 HG22 ILE 22 HG22 ILE 22 -6.357 -13.853 -7.663 180 HG23 ILE 22 HG23 ILE 22 -5.048 -13.617 -8.803 181 HD11 ILE 22 HD11 ILE 22 -6.507 -13.609 -3.888 182 HD12 ILE 22 HD12 ILE 22 -6.710 -12.456 -5.223 183 HD13 ILE 22 HD13 ILE 22 -6.996 -14.195 -5.490 184 H THR 23 H THR 23 -2.645 -10.921 -7.729 185 HA THR 23 HA THR 23 -2.326 -11.562 -10.608 186 HB THR 23 HB THR 23 -3.317 -9.533 -11.154 187 HG1 THR 23 HG1 THR 23 -3.941 -8.268 -9.102 188 HG21 THR 23 HG21 THR 23 -4.850 -10.355 -8.644 189 HG22 THR 23 HG22 THR 23 -5.470 -9.515 -10.079 190 HG23 THR 23 HG23 THR 23 -4.951 -11.203 -10.203 191 H ASN 24 H ASN 24 -0.316 -10.609 -8.137 192 HA ASN 24 HA ASN 24 1.717 -9.767 -7.944 193 HB2 ASN 24 HB2 ASN 24 2.045 -10.349 -10.904 194 HB3 ASN 24 HB3 ASN 24 3.350 -10.002 -9.762 195 HD21 ASN 24 HD21 ASN 24 1.803 -12.527 -11.265 196 HD22 ASN 24 HD22 ASN 24 2.206 -13.779 -10.087 197 H ALA 25 H ALA 25 -0.580 -7.927 -8.944 198 HA ALA 25 HA ALA 25 0.768 -5.583 -9.973 199 HB1 ALA 25 HB1 ALA 25 -1.659 -6.007 -10.242 200 HB2 ALA 25 HB2 ALA 25 -1.877 -5.874 -8.483 201 HB3 ALA 25 HB3 ALA 25 -1.349 -4.464 -9.422 202 H SER 26 H SER 26 1.225 -3.620 -8.841 203 HA SER 26 HA SER 26 1.460 -3.719 -5.890 204 HB2 SER 26 HB2 SER 26 3.755 -2.823 -5.971 205 HB3 SER 26 HB3 SER 26 3.626 -4.466 -6.604 206 HG SER 26 HG SER 26 3.746 -2.082 -8.165 207 H GLN 27 H GLN 27 1.405 -1.695 -4.844 208 HA GLN 27 HA GLN 27 1.125 0.770 -6.450 209 HB2 GLN 27 HB2 GLN 27 -1.107 -0.516 -6.430 210 HB3 GLN 27 HB3 GLN 27 -1.168 -0.188 -4.689 211 HG2 GLN 27 HG2 GLN 27 -1.103 2.234 -5.158 212 HG3 GLN 27 HG3 GLN 27 -0.951 1.901 -6.893 213 HE21 GLN 27 HE21 GLN 27 -3.128 1.641 -4.082 214 HE22 GLN 27 HE22 GLN 27 -4.608 1.530 -5.050 215 H PHE 28 H PHE 28 1.453 2.644 -5.265 216 HA PHE 28 HA PHE 28 2.465 2.319 -2.516 217 HB2 PHE 28 HB2 PHE 28 2.668 4.567 -4.501 218 HB3 PHE 28 HB3 PHE 28 3.077 4.775 -2.794 219 HD1 PHE 28 HD1 PHE 28 4.166 3.313 -5.972 220 HD2 PHE 28 HD2 PHE 28 4.936 3.509 -1.730 221 HE1 PHE 28 HE1 PHE 28 6.453 2.414 -6.343 222 HE2 PHE 28 HE2 PHE 28 7.224 2.621 -2.108 223 HZ PHE 28 HZ PHE 28 7.986 2.074 -4.418 224 H GLU 29 H GLU 29 -0.314 3.926 -3.949 225 HA GLU 29 HA GLU 29 -1.236 4.884 -1.298 226 HB2 GLU 29 HB2 GLU 29 -2.558 4.855 -4.043 227 HB3 GLU 29 HB3 GLU 29 -3.311 5.495 -2.588 228 HG2 GLU 29 HG2 GLU 29 -0.753 6.545 -3.871 229 HG3 GLU 29 HG3 GLU 29 -2.359 7.247 -4.036 230 H ARG 30 H ARG 30 -3.166 4.017 -0.281 231 HA ARG 30 HA ARG 30 -3.181 1.138 -0.464 232 HB2 ARG 30 HB2 ARG 30 -4.796 1.046 1.244 233 HB3 ARG 30 HB3 ARG 30 -3.497 2.128 1.680 234 HG2 ARG 30 HG2 ARG 30 -4.742 3.979 1.771 235 HG3 ARG 30 HG3 ARG 30 -5.891 3.482 0.510 236 HD2 ARG 30 HD2 ARG 30 -5.801 2.382 3.339 237 HD3 ARG 30 HD3 ARG 30 -6.985 3.543 2.710 238 HE ARG 30 HE ARG 30 -7.159 1.391 0.953 239 HH11 ARG 30 HH11 ARG 30 -8.397 -0.312 1.048 240 HH12 ARG 30 HH12 ARG 30 -8.912 -1.012 2.582 241 HH21 ARG 30 HH21 ARG 30 -8.518 0.093 4.458 242 HH22 ARG 30 HH22 ARG 30 -7.524 1.531 4.453 243 HA PRO 31 HA PRO 31 -6.420 0.539 -3.532 244 HB2 PRO 31 HB2 PRO 31 -6.766 -2.037 -2.022 245 HB3 PRO 31 HB3 PRO 31 -6.641 -1.784 -3.791 246 HG2 PRO 31 HG2 PRO 31 -4.532 -2.727 -2.365 247 HG3 PRO 31 HG3 PRO 31 -4.275 -1.491 -3.644 248 HD2 PRO 31 HD2 PRO 31 -4.415 -1.097 -0.640 249 HD3 PRO 31 HD3 PRO 31 -3.314 -0.380 -1.836 250 H SER 32 H SER 32 -8.686 0.641 -3.566 251 HA SER 32 HA SER 32 -10.690 1.414 -2.871 252 HB2 SER 32 HB2 SER 32 -11.996 -0.130 -1.607 253 HB3 SER 32 HB3 SER 32 -10.892 -1.006 -2.665 254 HG SER 32 HG SER 32 -10.682 -0.581 0.126 255 H GLY 33 H GLY 33 -8.768 3.055 -1.708 256 HA2 GLY 33 HA2 GLY 33 -10.356 4.437 0.267 257 HA3 GLY 33 HA3 GLY 33 -8.965 3.663 1.024 258 H1' ALL 101 H1 ALL 34 11.851 1.877 -0.649 259 H2' ALL 101 H2 ALL 34 13.476 4.062 -2.066 260 H3' ALL 101 H3 ALL 34 11.358 4.693 -3.154 261 H4' ALL 101 H4 ALL 34 12.786 3.111 -4.354 262 H5' ALL 101 H5 ALL 34 11.275 0.871 -2.939 263 H6'1 ALL 101 H62 ALL 34 12.194 0.400 -5.305 264 H6'2 ALL 101 H61 ALL 34 12.766 -0.662 -4.004 265 HO'2 ALL 101 H2O ALL 34 11.424 4.231 -0.067 266 HO'3 ALL 101 H3O ALL 34 9.620 3.071 -2.946 267 HO'4 ALL 101 H4O ALL 34 10.800 3.467 -5.345 268 HO'6 ALL 101 H6O ALL 34 14.565 0.843 -3.782 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 -10.462 -5.990 6.366 2 H2 LYS 1 H2 LYS 1 -10.350 -6.414 4.791 3 H3 LYS 1 H3 LYS 1 -10.999 -4.967 5.212 4 HA LYS 1 HA LYS 1 -8.925 -4.191 6.103 5 HB2 LYS 1 HB2 LYS 1 -8.071 -6.429 6.768 6 HB3 LYS 1 HB3 LYS 1 -7.753 -6.808 5.074 7 HG2 LYS 1 HG2 LYS 1 -6.197 -4.784 5.008 8 HG3 LYS 1 HG3 LYS 1 -6.469 -4.604 6.748 9 HD2 LYS 1 HD2 LYS 1 -5.577 -6.946 7.060 10 HD3 LYS 1 HD3 LYS 1 -5.229 -7.001 5.316 11 HE2 LYS 1 HE2 LYS 1 -3.793 -4.948 5.594 12 HE3 LYS 1 HE3 LYS 1 -4.088 -5.019 7.338 13 HZ1 LYS 1 HZ1 LYS 1 -2.025 -6.115 6.865 14 HZ2 LYS 1 HZ2 LYS 1 -3.079 -7.299 7.257 15 HZ3 LYS 1 HZ3 LYS 1 -2.664 -7.038 5.686 16 H LEU 2 H LEU 2 -8.546 -6.158 3.114 17 HA LEU 2 HA LEU 2 -8.236 -3.679 1.490 18 HB2 LEU 2 HB2 LEU 2 -6.360 -6.024 1.894 19 HB3 LEU 2 HB3 LEU 2 -6.323 -5.128 0.382 20 HG LEU 2 HG LEU 2 -6.027 -3.651 3.008 21 HD11 LEU 2 HD11 LEU 2 -3.599 -3.832 2.761 22 HD12 LEU 2 HD12 LEU 2 -4.315 -5.441 2.963 23 HD13 LEU 2 HD13 LEU 2 -3.804 -4.894 1.348 24 HD21 LEU 2 HD21 LEU 2 -6.426 -2.347 0.901 25 HD22 LEU 2 HD22 LEU 2 -4.840 -2.039 1.616 26 HD23 LEU 2 HD23 LEU 2 -4.987 -3.101 0.196 27 HA PRO 3 HA PRO 3 -10.664 -5.775 -1.565 28 HB2 PRO 3 HB2 PRO 3 -8.849 -5.040 -3.795 29 HB3 PRO 3 HB3 PRO 3 -10.532 -4.531 -3.491 30 HG2 PRO 3 HG2 PRO 3 -8.383 -2.848 -3.173 31 HG3 PRO 3 HG3 PRO 3 -9.864 -2.742 -2.158 32 HD2 PRO 3 HD2 PRO 3 -7.221 -4.051 -1.499 33 HD3 PRO 3 HD3 PRO 3 -8.254 -2.994 -0.488 34 HA PRO 4 HA PRO 4 -9.446 -9.813 -2.496 35 HB2 PRO 4 HB2 PRO 4 -9.909 -9.400 -5.459 36 HB3 PRO 4 HB3 PRO 4 -10.421 -10.766 -4.415 37 HG2 PRO 4 HG2 PRO 4 -12.187 -8.812 -5.006 38 HG3 PRO 4 HG3 PRO 4 -12.057 -9.394 -3.310 39 HD2 PRO 4 HD2 PRO 4 -10.845 -6.910 -4.549 40 HD3 PRO 4 HD3 PRO 4 -11.685 -7.100 -2.979 41 H GLY 5 H GLY 5 -7.511 -10.612 -2.296 42 HA2 GLY 5 HA2 GLY 5 -5.436 -11.443 -2.863 43 HA3 GLY 5 HA3 GLY 5 -5.483 -10.552 -4.393 44 H TRP 6 H TRP 6 -6.023 -8.010 -2.506 45 HA TRP 6 HA TRP 6 -3.233 -7.205 -2.504 46 HB2 TRP 6 HB2 TRP 6 -5.750 -5.819 -1.613 47 HB3 TRP 6 HB3 TRP 6 -4.143 -5.091 -1.491 48 HD1 TRP 6 HD1 TRP 6 -6.863 -5.933 -3.958 49 HE1 TRP 6 HE1 TRP 6 -6.361 -4.919 -6.263 50 HE3 TRP 6 HE3 TRP 6 -2.025 -4.500 -3.144 51 HZ2 TRP 6 HZ2 TRP 6 -4.065 -3.888 -7.649 52 HZ3 TRP 6 HZ3 TRP 6 -0.683 -3.527 -5.000 53 HH2 TRP 6 HH2 TRP 6 -1.678 -3.228 -7.252 54 H GLU 7 H GLU 7 -1.792 -6.974 -0.927 55 HA GLU 7 HA GLU 7 -2.553 -6.908 1.906 56 HB2 GLU 7 HB2 GLU 7 -2.356 -9.272 1.588 57 HB3 GLU 7 HB3 GLU 7 -0.886 -9.098 0.646 58 HG2 GLU 7 HG2 GLU 7 -0.446 -10.081 2.801 59 HG3 GLU 7 HG3 GLU 7 0.412 -8.570 2.598 60 H LYS 8 H LYS 8 -0.885 -6.101 3.286 61 HA LYS 8 HA LYS 8 0.783 -4.064 2.087 62 HB2 LYS 8 HB2 LYS 8 0.482 -5.101 4.915 63 HB3 LYS 8 HB3 LYS 8 1.768 -3.960 4.488 64 HG2 LYS 8 HG2 LYS 8 0.132 -2.365 3.587 65 HG3 LYS 8 HG3 LYS 8 -1.178 -3.496 3.937 66 HD2 LYS 8 HD2 LYS 8 -1.182 -1.851 5.674 67 HD3 LYS 8 HD3 LYS 8 -0.553 -3.342 6.393 68 HE2 LYS 8 HE2 LYS 8 1.783 -2.468 6.077 69 HE3 LYS 8 HE3 LYS 8 1.115 -0.993 5.368 70 HZ1 LYS 8 HZ1 LYS 8 0.623 -1.917 8.149 71 HZ2 LYS 8 HZ2 LYS 8 1.623 -0.700 7.724 72 HZ3 LYS 8 HZ3 LYS 8 0.014 -0.547 7.495 73 H ARG 9 H ARG 9 2.869 -3.791 1.883 74 HA ARG 9 HA ARG 9 4.829 -5.962 2.361 75 HB2 ARG 9 HB2 ARG 9 3.637 -6.121 0.018 76 HB3 ARG 9 HB3 ARG 9 4.500 -4.643 -0.369 77 HG2 ARG 9 HG2 ARG 9 5.727 -6.461 -1.277 78 HG3 ARG 9 HG3 ARG 9 6.663 -5.877 0.106 79 HD2 ARG 9 HD2 ARG 9 6.783 -8.176 0.345 80 HD3 ARG 9 HD3 ARG 9 5.465 -7.787 1.455 81 HE ARG 9 HE ARG 9 5.306 -9.096 -1.222 82 HH11 ARG 9 HH11 ARG 9 2.495 -10.819 -0.369 83 HH12 ARG 9 HH12 ARG 9 3.819 -10.663 -1.489 84 HH21 ARG 9 HH21 ARG 9 3.376 -8.178 1.612 85 HH22 ARG 9 HH22 ARG 9 2.287 -9.497 1.334 86 H MET 10 H MET 10 7.119 -5.130 2.035 87 HA MET 10 HA MET 10 7.410 -2.231 1.978 88 HB2 MET 10 HB2 MET 10 8.395 -1.958 4.170 89 HB3 MET 10 HB3 MET 10 6.719 -2.515 4.296 90 HG2 MET 10 HG2 MET 10 7.491 -4.806 4.747 91 HG3 MET 10 HG3 MET 10 9.172 -4.291 4.609 92 HE1 MET 10 HE1 MET 10 10.475 -2.859 6.300 93 HE2 MET 10 HE2 MET 10 9.329 -1.501 6.199 94 HE3 MET 10 HE3 MET 10 9.795 -2.153 7.782 95 H PHE 11 H PHE 11 9.319 -1.459 1.543 96 HA PHE 11 HA PHE 11 11.440 -3.183 0.556 97 HB2 PHE 11 HB2 PHE 11 11.105 -0.186 0.762 98 HB3 PHE 11 HB3 PHE 11 12.546 -0.959 0.093 99 HD1 PHE 11 HD1 PHE 11 12.205 -2.668 -1.850 100 HD2 PHE 11 HD2 PHE 11 9.282 0.309 -0.712 101 HE1 PHE 11 HE1 PHE 11 11.156 -2.826 -4.097 102 HE2 PHE 11 HE2 PHE 11 8.249 0.138 -2.950 103 HZ PHE 11 HZ PHE 11 9.181 -1.417 -4.651 104 H ALA 12 H ALA 12 13.673 -3.104 1.164 105 HA ALA 12 HA ALA 12 14.133 -3.491 3.936 106 HB1 ALA 12 HB1 ALA 12 16.105 -2.989 1.662 107 HB2 ALA 12 HB2 ALA 12 16.488 -3.719 3.235 108 HB3 ALA 12 HB3 ALA 12 15.406 -4.563 2.113 109 H ASN 13 H ASN 13 14.232 -0.527 2.112 110 HA ASN 13 HA ASN 13 15.796 1.001 4.059 111 HB2 ASN 13 HB2 ASN 13 15.250 2.917 2.609 112 HB3 ASN 13 HB3 ASN 13 15.900 1.547 1.695 113 HD21 ASN 13 HD21 ASN 13 14.979 2.679 -0.148 114 H GLY 14 H GLY 14 12.678 -0.204 4.282 115 HA2 GLY 14 HA2 GLY 14 11.191 0.189 6.044 116 HA3 GLY 14 HA3 GLY 14 11.921 1.771 6.359 117 H THR 15 H THR 15 11.003 1.057 3.047 118 HA THR 15 HA THR 15 8.762 3.014 3.208 119 HB THR 15 HB THR 15 10.007 1.737 0.762 120 HG1 THR 15 HG1 THR 15 11.481 2.943 1.753 121 HG21 THR 15 HG21 THR 15 8.980 3.762 -0.373 122 HG22 THR 15 HG22 THR 15 7.858 2.503 0.146 123 HG23 THR 15 HG23 THR 15 8.022 4.004 1.100 124 H VAL 16 H VAL 16 6.684 2.406 3.248 125 HA VAL 16 HA VAL 16 5.964 -0.452 2.863 126 HB VAL 16 HB VAL 16 4.450 1.897 4.060 127 HG11 VAL 16 HG11 VAL 16 2.822 0.226 4.884 128 HG12 VAL 16 HG12 VAL 16 2.790 0.349 3.130 129 HG13 VAL 16 HG13 VAL 16 3.611 -1.030 3.900 130 HG21 VAL 16 HG21 VAL 16 4.730 0.673 6.185 131 HG22 VAL 16 HG22 VAL 16 5.660 -0.586 5.353 132 HG23 VAL 16 HG23 VAL 16 6.305 1.067 5.481 133 H TYR 17 H TYR 17 4.503 -1.180 1.435 134 HA TYR 17 HA TYR 17 2.917 0.559 -0.306 135 HB2 TYR 17 HB2 TYR 17 3.791 -0.299 -2.380 136 HB3 TYR 17 HB3 TYR 17 5.087 0.434 -1.487 137 HD1 TYR 17 HD1 TYR 17 6.802 -1.048 -0.294 138 HD2 TYR 17 HD2 TYR 17 3.946 -2.559 -3.159 139 HE1 TYR 17 HE1 TYR 17 8.282 -2.991 -0.755 140 HE2 TYR 17 HE2 TYR 17 5.417 -4.518 -3.587 141 HH TYR 17 HH TYR 17 8.638 -4.815 -2.071 142 H TYR 18 H TYR 18 1.911 -1.236 -2.021 143 HA TYR 18 HA TYR 18 0.860 -3.512 -0.395 144 HB2 TYR 18 HB2 TYR 18 -0.697 -1.657 -2.233 145 HB3 TYR 18 HB3 TYR 18 -1.335 -3.064 -1.369 146 HD1 TYR 18 HD1 TYR 18 -1.906 -2.957 0.985 147 HD2 TYR 18 HD2 TYR 18 -0.016 0.392 -0.972 148 HE1 TYR 18 HE1 TYR 18 -2.403 -1.518 2.958 149 HE2 TYR 18 HE2 TYR 18 -0.460 1.812 1.023 150 HH TYR 18 HH TYR 18 -2.146 0.533 3.911 151 H PHE 19 H PHE 19 0.456 -5.398 -1.457 152 HA PHE 19 HA PHE 19 1.209 -5.636 -4.345 153 HB2 PHE 19 HB2 PHE 19 3.175 -6.119 -2.971 154 HB3 PHE 19 HB3 PHE 19 2.250 -7.304 -2.034 155 HD1 PHE 19 HD1 PHE 19 3.515 -6.469 -5.420 156 HD2 PHE 19 HD2 PHE 19 1.900 -9.575 -2.906 157 HE1 PHE 19 HE1 PHE 19 3.995 -8.124 -7.178 158 HE2 PHE 19 HE2 PHE 19 2.474 -11.263 -4.636 159 HZ PHE 19 HZ PHE 19 3.519 -10.551 -6.779 160 H ASN 20 H ASN 20 0.002 -7.042 -5.520 161 HA ASN 20 HA ASN 20 -2.232 -8.414 -4.120 162 HB2 ASN 20 HB2 ASN 20 -2.643 -6.780 -6.001 163 HB3 ASN 20 HB3 ASN 20 -1.908 -7.963 -7.099 164 HD21 ASN 20 HD21 ASN 20 -4.825 -6.890 -6.109 165 HD22 ASN 20 HD22 ASN 20 -5.749 -8.382 -6.125 166 H HIS 21 H HIS 21 -1.938 -10.507 -3.606 167 HA HIS 21 HA HIS 21 0.245 -12.049 -4.724 168 HB2 HIS 21 HB2 HIS 21 -0.158 -13.561 -3.075 169 HB3 HIS 21 HB3 HIS 21 -0.804 -12.097 -2.335 170 HD2 HIS 21 HD2 HIS 21 -3.356 -12.172 -1.601 171 HE1 HIS 21 HE1 HIS 21 -4.285 -16.092 -2.992 172 HE2 HIS 21 HE2 HIS 21 -5.115 -14.132 -1.596 173 H ILE 22 H ILE 22 -3.094 -11.743 -5.658 174 HA ILE 22 HA ILE 22 -3.239 -14.297 -7.106 175 HB ILE 22 HB ILE 22 -5.146 -11.918 -6.988 176 HG12 ILE 22 HG12 ILE 22 -5.172 -14.538 -5.404 177 HG13 ILE 22 HG13 ILE 22 -4.763 -12.941 -4.752 178 HG21 ILE 22 HG21 ILE 22 -5.621 -14.773 -7.943 179 HG22 ILE 22 HG22 ILE 22 -6.851 -13.492 -7.829 180 HG23 ILE 22 HG23 ILE 22 -5.537 -13.326 -8.975 181 HD11 ILE 22 HD11 ILE 22 -7.089 -12.166 -5.348 182 HD12 ILE 22 HD12 ILE 22 -7.489 -13.874 -5.663 183 HD13 ILE 22 HD13 ILE 22 -6.952 -13.368 -4.050 184 H THR 23 H THR 23 -2.932 -10.845 -7.831 185 HA THR 23 HA THR 23 -2.729 -11.395 -10.736 186 HB THR 23 HB THR 23 -3.635 -9.316 -11.191 187 HG1 THR 23 HG1 THR 23 -4.093 -8.036 -9.119 188 HG21 THR 23 HG21 THR 23 -5.731 -9.183 -10.031 189 HG22 THR 23 HG22 THR 23 -5.324 -10.900 -10.176 190 HG23 THR 23 HG23 THR 23 -5.107 -10.060 -8.623 191 H ASN 24 H ASN 24 -0.574 -10.785 -8.354 192 HA ASN 24 HA ASN 24 1.436 -9.972 -8.089 193 HB2 ASN 24 HB2 ASN 24 3.149 -10.392 -9.741 194 HB3 ASN 24 HB3 ASN 24 2.044 -11.752 -9.540 195 HD21 ASN 24 HD21 ASN 24 1.225 -12.657 -11.394 196 HD22 ASN 24 HD22 ASN 24 1.323 -11.883 -12.977 197 H ALA 25 H ALA 25 -0.647 -7.984 -9.084 198 HA ALA 25 HA ALA 25 0.863 -5.739 -10.093 199 HB1 ALA 25 HB1 ALA 25 -1.585 -5.987 -10.361 200 HB2 ALA 25 HB2 ALA 25 -1.794 -5.875 -8.600 201 HB3 ALA 25 HB3 ALA 25 -1.176 -4.483 -9.516 202 H SER 26 H SER 26 1.365 -3.784 -8.938 203 HA SER 26 HA SER 26 1.517 -3.909 -5.992 204 HB2 SER 26 HB2 SER 26 3.777 -3.002 -5.918 205 HB3 SER 26 HB3 SER 26 3.734 -4.619 -6.620 206 HG SER 26 HG SER 26 3.994 -3.744 -8.648 207 H GLN 27 H GLN 27 1.494 -1.896 -4.946 208 HA GLN 27 HA GLN 27 1.101 0.584 -6.490 209 HB2 GLN 27 HB2 GLN 27 -1.060 -0.534 -6.722 210 HB3 GLN 27 HB3 GLN 27 -1.124 -0.842 -4.988 211 HG2 GLN 27 HG2 GLN 27 -2.628 0.960 -5.601 212 HG3 GLN 27 HG3 GLN 27 -1.362 1.524 -4.519 213 HE21 GLN 27 HE21 GLN 27 -2.103 1.347 -8.071 214 HE22 GLN 27 HE22 GLN 27 -1.249 2.851 -8.432 215 H PHE 28 H PHE 28 1.217 2.446 -5.243 216 HA PHE 28 HA PHE 28 2.291 2.108 -2.501 217 HB2 PHE 28 HB2 PHE 28 2.482 4.374 -4.468 218 HB3 PHE 28 HB3 PHE 28 2.902 4.545 -2.760 219 HD1 PHE 28 HD1 PHE 28 4.833 3.351 -1.758 220 HD2 PHE 28 HD2 PHE 28 3.922 3.072 -5.969 221 HE1 PHE 28 HE1 PHE 28 7.116 2.483 -2.201 222 HE2 PHE 28 HE2 PHE 28 6.207 2.197 -6.402 223 HZ PHE 28 HZ PHE 28 7.809 1.914 -4.522 224 H GLU 29 H GLU 29 -0.415 3.736 -4.083 225 HA GLU 29 HA GLU 29 -1.399 4.943 -1.604 226 HB2 GLU 29 HB2 GLU 29 -1.748 6.008 -3.763 227 HB3 GLU 29 HB3 GLU 29 -2.661 4.606 -4.350 228 HG2 GLU 29 HG2 GLU 29 -4.413 5.002 -2.674 229 HG3 GLU 29 HG3 GLU 29 -3.472 6.317 -1.963 230 H ARG 30 H ARG 30 -2.894 4.159 -0.201 231 HA ARG 30 HA ARG 30 -3.220 1.429 0.203 232 HB2 ARG 30 HB2 ARG 30 -3.308 3.097 1.895 233 HB3 ARG 30 HB3 ARG 30 -4.803 3.772 1.279 234 HG2 ARG 30 HG2 ARG 30 -4.758 0.846 2.063 235 HG3 ARG 30 HG3 ARG 30 -4.664 2.062 3.343 236 HD2 ARG 30 HD2 ARG 30 -6.856 2.389 3.307 237 HD3 ARG 30 HD3 ARG 30 -6.781 2.917 1.636 238 HE ARG 30 HE ARG 30 -7.448 0.814 0.876 239 HH11 ARG 30 HH11 ARG 30 -7.012 0.520 4.369 240 HH12 ARG 30 HH12 ARG 30 -7.946 -0.964 4.387 241 HH21 ARG 30 HH21 ARG 30 -8.585 -0.960 1.037 242 HH22 ARG 30 HH22 ARG 30 -8.802 -1.768 2.602 243 HA PRO 31 HA PRO 31 -5.985 0.632 -3.195 244 HB2 PRO 31 HB2 PRO 31 -6.045 -2.128 -1.968 245 HB3 PRO 31 HB3 PRO 31 -5.880 -1.670 -3.693 246 HG2 PRO 31 HG2 PRO 31 -3.697 -2.353 -2.261 247 HG3 PRO 31 HG3 PRO 31 -3.630 -0.913 -3.334 248 HD2 PRO 31 HD2 PRO 31 -4.042 -1.012 -0.334 249 HD3 PRO 31 HD3 PRO 31 -3.006 0.055 -1.311 250 H SER 32 H SER 32 -8.151 0.372 -3.719 251 HA SER 32 HA SER 32 -10.144 -0.403 -1.690 252 HB2 SER 32 HB2 SER 32 -9.695 2.002 -1.255 253 HB3 SER 32 HB3 SER 32 -10.146 2.372 -2.932 254 HG SER 32 HG SER 32 -11.879 2.640 -1.436 255 H GLY 33 H GLY 33 -12.263 -0.702 -2.577 256 HA2 GLY 33 HA2 GLY 33 -12.943 -0.531 -5.365 257 HA3 GLY 33 HA3 GLY 33 -12.373 -2.160 -4.990 258 H1' ALL 101 H1 ALL 34 12.108 1.975 -0.549 259 H2' ALL 101 H2 ALL 34 13.815 4.125 -1.917 260 H3' ALL 101 H3 ALL 34 11.891 4.610 -3.333 261 H4' ALL 101 H4 ALL 34 13.429 2.956 -4.235 262 H5' ALL 101 H5 ALL 34 11.789 0.814 -2.813 263 H6'1 ALL 101 H62 ALL 34 12.976 0.174 -5.023 264 H6'2 ALL 101 H61 ALL 34 13.393 -0.779 -3.584 265 HO'2 ALL 101 H2O ALL 34 11.686 4.268 -0.029 266 HO'3 ALL 101 H3O ALL 34 10.181 4.006 -2.000 267 HO'4 ALL 101 H4O ALL 34 10.654 2.430 -4.445 268 HO'6 ALL 101 H6O ALL 34 15.146 0.773 -3.273 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 -10.760 -1.290 4.881 2 H2 LYS 1 H2 LYS 1 -11.204 -2.116 6.223 3 H3 LYS 1 H3 LYS 1 -11.906 -2.451 4.779 4 HA LYS 1 HA LYS 1 -9.072 -2.877 5.434 5 HB2 LYS 1 HB2 LYS 1 -10.644 -4.420 6.617 6 HB3 LYS 1 HB3 LYS 1 -11.286 -4.940 5.064 7 HG2 LYS 1 HG2 LYS 1 -9.766 -6.586 5.977 8 HG3 LYS 1 HG3 LYS 1 -9.108 -5.951 4.478 9 HD2 LYS 1 HD2 LYS 1 -7.628 -4.404 5.885 10 HD3 LYS 1 HD3 LYS 1 -8.234 -5.227 7.322 11 HE2 LYS 1 HE2 LYS 1 -6.744 -6.540 4.998 12 HE3 LYS 1 HE3 LYS 1 -6.009 -6.041 6.522 13 HZ1 LYS 1 HZ1 LYS 1 -7.470 -7.619 7.675 14 HZ2 LYS 1 HZ2 LYS 1 -8.128 -8.108 6.258 15 HZ3 LYS 1 HZ3 LYS 1 -6.552 -8.390 6.570 16 H LEU 2 H LEU 2 -7.899 -4.139 3.781 17 HA LEU 2 HA LEU 2 -8.055 -3.042 1.184 18 HB2 LEU 2 HB2 LEU 2 -6.636 -5.422 2.427 19 HB3 LEU 2 HB3 LEU 2 -6.559 -5.154 0.684 20 HG LEU 2 HG LEU 2 -5.517 -2.972 0.973 21 HD11 LEU 2 HD11 LEU 2 -5.538 -3.586 3.960 22 HD12 LEU 2 HD12 LEU 2 -4.604 -2.291 3.171 23 HD13 LEU 2 HD13 LEU 2 -6.368 -2.231 3.141 24 HD21 LEU 2 HD21 LEU 2 -4.094 -4.918 0.757 25 HD22 LEU 2 HD22 LEU 2 -3.357 -3.834 1.945 26 HD23 LEU 2 HD23 LEU 2 -4.221 -5.276 2.495 27 HA PRO 3 HA PRO 3 -10.988 -5.737 -0.933 28 HB2 PRO 3 HB2 PRO 3 -10.190 -5.451 -3.532 29 HB3 PRO 3 HB3 PRO 3 -10.934 -4.111 -2.602 30 HG2 PRO 3 HG2 PRO 3 -7.977 -4.668 -3.017 31 HG3 PRO 3 HG3 PRO 3 -8.850 -3.138 -3.318 32 HD2 PRO 3 HD2 PRO 3 -7.509 -3.618 -0.993 33 HD3 PRO 3 HD3 PRO 3 -9.052 -2.710 -0.986 34 HA PRO 4 HA PRO 4 -9.336 -9.775 -1.369 35 HB2 PRO 4 HB2 PRO 4 -10.521 -9.957 -4.144 36 HB3 PRO 4 HB3 PRO 4 -10.603 -11.144 -2.802 37 HG2 PRO 4 HG2 PRO 4 -12.705 -9.515 -3.272 38 HG3 PRO 4 HG3 PRO 4 -12.142 -9.759 -1.584 39 HD2 PRO 4 HD2 PRO 4 -11.553 -7.445 -3.450 40 HD3 PRO 4 HD3 PRO 4 -12.037 -7.417 -1.724 41 H GLY 5 H GLY 5 -7.508 -10.820 -1.922 42 HA2 GLY 5 HA2 GLY 5 -5.605 -11.472 -3.058 43 HA3 GLY 5 HA3 GLY 5 -6.056 -10.431 -4.420 44 H TRP 6 H TRP 6 -6.197 -8.025 -2.495 45 HA TRP 6 HA TRP 6 -3.371 -7.303 -2.689 46 HB2 TRP 6 HB2 TRP 6 -5.813 -5.745 -1.858 47 HB3 TRP 6 HB3 TRP 6 -4.168 -5.110 -1.799 48 HD1 TRP 6 HD1 TRP 6 -6.829 -6.210 -4.298 49 HE1 TRP 6 HE1 TRP 6 -6.321 -5.237 -6.619 50 HE3 TRP 6 HE3 TRP 6 -2.121 -4.382 -3.403 51 HZ2 TRP 6 HZ2 TRP 6 -4.113 -3.963 -7.951 52 HZ3 TRP 6 HZ3 TRP 6 -0.826 -3.311 -5.256 53 HH2 TRP 6 HH2 TRP 6 -1.805 -3.112 -7.513 54 H GLU 7 H GLU 7 -1.962 -6.766 -1.145 55 HA GLU 7 HA GLU 7 -2.542 -7.164 1.754 56 HB2 GLU 7 HB2 GLU 7 -0.260 -8.401 0.152 57 HB3 GLU 7 HB3 GLU 7 -0.445 -8.469 1.906 58 HG2 GLU 7 HG2 GLU 7 -2.525 -9.797 1.629 59 HG3 GLU 7 HG3 GLU 7 -2.272 -9.804 -0.126 60 H LYS 8 H LYS 8 -0.891 -6.234 3.144 61 HA LYS 8 HA LYS 8 0.550 -3.912 2.030 62 HB2 LYS 8 HB2 LYS 8 0.142 -5.001 4.822 63 HB3 LYS 8 HB3 LYS 8 1.485 -3.899 4.484 64 HG2 LYS 8 HG2 LYS 8 -0.039 -2.224 3.550 65 HG3 LYS 8 HG3 LYS 8 -1.411 -3.309 3.798 66 HD2 LYS 8 HD2 LYS 8 -1.401 -1.665 5.564 67 HD3 LYS 8 HD3 LYS 8 -0.971 -3.230 6.273 68 HE2 LYS 8 HE2 LYS 8 1.441 -2.587 6.202 69 HE3 LYS 8 HE3 LYS 8 1.008 -1.041 5.466 70 HZ1 LYS 8 HZ1 LYS 8 0.156 -1.942 8.167 71 HZ2 LYS 8 HZ2 LYS 8 1.316 -0.834 7.866 72 HZ3 LYS 8 HZ3 LYS 8 -0.240 -0.507 7.492 73 H ARG 9 H ARG 9 2.679 -3.626 1.854 74 HA ARG 9 HA ARG 9 4.585 -5.853 2.301 75 HB2 ARG 9 HB2 ARG 9 3.323 -5.858 -0.054 76 HB3 ARG 9 HB3 ARG 9 4.373 -4.498 -0.412 77 HG2 ARG 9 HG2 ARG 9 5.368 -6.463 -1.311 78 HG3 ARG 9 HG3 ARG 9 6.347 -6.009 0.091 79 HD2 ARG 9 HD2 ARG 9 6.171 -8.297 0.347 80 HD3 ARG 9 HD3 ARG 9 4.875 -7.745 1.411 81 HE ARG 9 HE ARG 9 4.604 -8.961 -1.313 82 HH11 ARG 9 HH11 ARG 9 2.777 -8.153 1.659 83 HH12 ARG 9 HH12 ARG 9 1.708 -9.512 1.317 84 HH21 ARG 9 HH21 ARG 9 3.067 -10.567 -1.513 85 HH22 ARG 9 HH22 ARG 9 1.801 -10.657 -0.285 86 H MET 10 H MET 10 6.894 -5.099 1.864 87 HA MET 10 HA MET 10 7.295 -2.204 2.215 88 HB2 MET 10 HB2 MET 10 6.622 -3.089 4.465 89 HB3 MET 10 HB3 MET 10 8.024 -4.176 4.411 90 HG2 MET 10 HG2 MET 10 9.455 -2.058 4.155 91 HG3 MET 10 HG3 MET 10 8.008 -1.140 4.549 92 HE1 MET 10 HE1 MET 10 6.941 -1.045 7.022 93 HE2 MET 10 HE2 MET 10 6.569 -2.775 6.822 94 HE3 MET 10 HE3 MET 10 7.373 -2.199 8.296 95 H PHE 11 H PHE 11 9.192 -1.504 1.599 96 HA PHE 11 HA PHE 11 11.194 -3.227 0.406 97 HB2 PHE 11 HB2 PHE 11 10.942 -0.242 0.769 98 HB3 PHE 11 HB3 PHE 11 12.355 -0.997 0.026 99 HD1 PHE 11 HD1 PHE 11 9.125 0.379 -0.654 100 HD2 PHE 11 HD2 PHE 11 11.922 -2.646 -1.965 101 HE1 PHE 11 HE1 PHE 11 8.043 0.328 -2.878 102 HE2 PHE 11 HE2 PHE 11 10.827 -2.682 -4.194 103 HZ PHE 11 HZ PHE 11 8.889 -1.190 -4.654 104 H ALA 12 H ALA 12 13.496 -3.186 0.836 105 HA ALA 12 HA ALA 12 14.148 -3.802 3.524 106 HB1 ALA 12 HB1 ALA 12 15.961 -3.063 1.183 107 HB2 ALA 12 HB2 ALA 12 16.454 -3.925 2.657 108 HB3 ALA 12 HB3 ALA 12 15.312 -4.684 1.535 109 H ASN 13 H ASN 13 14.118 -0.688 1.960 110 HA ASN 13 HA ASN 13 15.751 0.682 3.978 111 HB2 ASN 13 HB2 ASN 13 15.183 2.704 2.680 112 HB3 ASN 13 HB3 ASN 13 15.827 1.406 1.664 113 HD21 ASN 13 HD21 ASN 13 14.882 2.619 -0.106 114 H GLY 14 H GLY 14 12.631 -0.525 4.166 115 HA2 GLY 14 HA2 GLY 14 11.142 -0.249 5.934 116 HA3 GLY 14 HA3 GLY 14 11.910 1.279 6.395 117 H THR 15 H THR 15 10.947 0.885 3.035 118 HA THR 15 HA THR 15 8.776 2.896 3.383 119 HB THR 15 HB THR 15 9.965 1.759 0.837 120 HG1 THR 15 HG1 THR 15 11.467 2.865 1.901 121 HG21 THR 15 HG21 THR 15 7.839 2.613 0.272 122 HG22 THR 15 HG22 THR 15 8.023 4.034 1.341 123 HG23 THR 15 HG23 THR 15 8.983 3.892 -0.144 124 H VAL 16 H VAL 16 6.649 2.396 3.289 125 HA VAL 16 HA VAL 16 5.860 -0.433 2.828 126 HB VAL 16 HB VAL 16 4.428 1.950 4.058 127 HG11 VAL 16 HG11 VAL 16 2.652 0.362 4.748 128 HG12 VAL 16 HG12 VAL 16 2.683 0.586 3.004 129 HG13 VAL 16 HG13 VAL 16 3.374 -0.892 3.716 130 HG21 VAL 16 HG21 VAL 16 6.181 0.891 5.467 131 HG22 VAL 16 HG22 VAL 16 4.561 0.598 6.120 132 HG23 VAL 16 HG23 VAL 16 5.397 -0.691 5.232 133 H TYR 17 H TYR 17 4.416 -1.093 1.362 134 HA TYR 17 HA TYR 17 2.940 0.714 -0.408 135 HB2 TYR 17 HB2 TYR 17 3.819 -0.184 -2.462 136 HB3 TYR 17 HB3 TYR 17 5.129 0.499 -1.545 137 HD1 TYR 17 HD1 TYR 17 6.753 -1.056 -0.313 138 HD2 TYR 17 HD2 TYR 17 3.878 -2.457 -3.212 139 HE1 TYR 17 HE1 TYR 17 8.151 -3.069 -0.738 140 HE2 TYR 17 HE2 TYR 17 5.272 -4.480 -3.613 141 HH TYR 17 HH TYR 17 8.431 -4.934 -2.011 142 H TYR 18 H TYR 18 1.844 -0.983 -2.123 143 HA TYR 18 HA TYR 18 0.685 -3.220 -0.520 144 HB2 TYR 18 HB2 TYR 18 -0.763 -1.291 -2.363 145 HB3 TYR 18 HB3 TYR 18 -1.477 -2.659 -1.496 146 HD1 TYR 18 HD1 TYR 18 -0.040 0.740 -1.147 147 HD2 TYR 18 HD2 TYR 18 -1.941 -2.537 0.906 148 HE1 TYR 18 HE1 TYR 18 -0.388 2.193 0.850 149 HE2 TYR 18 HE2 TYR 18 -2.335 -1.073 2.881 150 HH TYR 18 HH TYR 18 -1.993 0.988 3.808 151 H PHE 19 H PHE 19 0.177 -5.086 -1.597 152 HA PHE 19 HA PHE 19 1.145 -5.417 -4.423 153 HB2 PHE 19 HB2 PHE 19 2.964 -5.797 -2.753 154 HB3 PHE 19 HB3 PHE 19 1.966 -7.041 -1.981 155 HD1 PHE 19 HD1 PHE 19 3.799 -6.077 -5.038 156 HD2 PHE 19 HD2 PHE 19 1.700 -9.257 -3.037 157 HE1 PHE 19 HE1 PHE 19 4.570 -7.656 -6.768 158 HE2 PHE 19 HE2 PHE 19 2.570 -10.881 -4.710 159 HZ PHE 19 HZ PHE 19 4.010 -10.090 -6.580 160 H ASN 20 H ASN 20 -0.029 -6.898 -5.597 161 HA ASN 20 HA ASN 20 -2.234 -8.345 -4.215 162 HB2 ASN 20 HB2 ASN 20 -2.728 -6.847 -6.168 163 HB3 ASN 20 HB3 ASN 20 -1.812 -7.966 -7.193 164 HD21 ASN 20 HD21 ASN 20 -5.625 -8.834 -6.381 165 HD22 ASN 20 HD22 ASN 20 -4.908 -7.254 -6.056 166 H HIS 21 H HIS 21 -1.944 -10.435 -3.680 167 HA HIS 21 HA HIS 21 0.450 -11.843 -4.530 168 HB2 HIS 21 HB2 HIS 21 -0.029 -13.379 -2.907 169 HB3 HIS 21 HB3 HIS 21 -0.761 -11.916 -2.243 170 HD2 HIS 21 HD2 HIS 21 -3.373 -12.027 -1.727 171 HE1 HIS 21 HE1 HIS 21 -4.080 -16.018 -3.040 172 HE2 HIS 21 HE2 HIS 21 -5.074 -14.035 -1.792 173 H ILE 22 H ILE 22 -2.787 -11.789 -5.784 174 HA ILE 22 HA ILE 22 -2.673 -14.404 -7.102 175 HB ILE 22 HB ILE 22 -4.696 -12.139 -7.371 176 HG12 ILE 22 HG12 ILE 22 -4.752 -14.520 -5.460 177 HG13 ILE 22 HG13 ILE 22 -4.485 -12.830 -4.991 178 HG21 ILE 22 HG21 ILE 22 -6.227 -13.896 -8.156 179 HG22 ILE 22 HG22 ILE 22 -4.806 -13.819 -9.179 180 HG23 ILE 22 HG23 ILE 22 -4.944 -15.115 -7.970 181 HD11 ILE 22 HD11 ILE 22 -6.761 -12.260 -5.857 182 HD12 ILE 22 HD12 ILE 22 -7.063 -14.009 -6.040 183 HD13 ILE 22 HD13 ILE 22 -6.710 -13.331 -4.442 184 H THR 23 H THR 23 -2.464 -10.981 -7.990 185 HA THR 23 HA THR 23 -1.922 -11.660 -10.828 186 HB THR 23 HB THR 23 -2.898 -9.639 -11.468 187 HG1 THR 23 HG1 THR 23 -3.706 -8.307 -9.605 188 HG21 THR 23 HG21 THR 23 -5.135 -9.685 -10.608 189 HG22 THR 23 HG22 THR 23 -4.561 -11.360 -10.646 190 HG23 THR 23 HG23 THR 23 -4.631 -10.478 -9.103 191 H ASN 24 H ASN 24 -0.101 -10.763 -8.258 192 HA ASN 24 HA ASN 24 1.801 -9.771 -7.830 193 HB2 ASN 24 HB2 ASN 24 3.712 -10.129 -9.275 194 HB3 ASN 24 HB3 ASN 24 2.706 -11.566 -9.084 195 HD21 ASN 24 HD21 ASN 24 2.121 -12.646 -10.935 196 HD22 ASN 24 HD22 ASN 24 2.336 -11.976 -12.555 197 H ALA 25 H ALA 25 -0.302 -8.006 -9.092 198 HA ALA 25 HA ALA 25 1.094 -5.688 -10.091 199 HB1 ALA 25 HB1 ALA 25 -1.609 -5.953 -8.701 200 HB2 ALA 25 HB2 ALA 25 -1.047 -4.557 -9.644 201 HB3 ALA 25 HB3 ALA 25 -1.322 -6.116 -10.448 202 H SER 26 H SER 26 1.451 -3.673 -8.961 203 HA SER 26 HA SER 26 1.520 -3.718 -6.018 204 HB2 SER 26 HB2 SER 26 3.827 -3.009 -5.849 205 HB3 SER 26 HB3 SER 26 3.710 -4.601 -6.612 206 HG SER 26 HG SER 26 4.097 -3.677 -8.596 207 H GLN 27 H GLN 27 1.459 -1.664 -5.039 208 HA GLN 27 HA GLN 27 1.672 0.777 -6.622 209 HB2 GLN 27 HB2 GLN 27 -0.575 1.496 -6.536 210 HB3 GLN 27 HB3 GLN 27 -0.612 -0.145 -7.187 211 HG2 GLN 27 HG2 GLN 27 -1.377 -1.017 -5.014 212 HG3 GLN 27 HG3 GLN 27 -1.272 0.594 -4.319 213 HE21 GLN 27 HE21 GLN 27 -3.339 1.306 -4.009 214 HE22 GLN 27 HE22 GLN 27 -4.611 1.238 -5.247 215 H PHE 28 H PHE 28 1.529 2.739 -5.330 216 HA PHE 28 HA PHE 28 2.462 2.251 -2.603 217 HB2 PHE 28 HB2 PHE 28 2.593 4.644 -4.396 218 HB3 PHE 28 HB3 PHE 28 2.975 4.739 -2.675 219 HD1 PHE 28 HD1 PHE 28 4.137 3.528 -5.933 220 HD2 PHE 28 HD2 PHE 28 4.877 3.471 -1.679 221 HE1 PHE 28 HE1 PHE 28 6.449 2.716 -6.342 222 HE2 PHE 28 HE2 PHE 28 7.188 2.669 -2.099 223 HZ PHE 28 HZ PHE 28 7.978 2.293 -4.426 224 H GLU 29 H GLU 29 -0.494 3.545 -3.868 225 HA GLU 29 HA GLU 29 -1.347 4.540 -1.193 226 HB2 GLU 29 HB2 GLU 29 -2.686 4.625 -3.922 227 HB3 GLU 29 HB3 GLU 29 -3.400 5.266 -2.449 228 HG2 GLU 29 HG2 GLU 29 -0.802 6.236 -3.723 229 HG3 GLU 29 HG3 GLU 29 -2.376 7.005 -3.876 230 H ARG 30 H ARG 30 -3.300 3.781 -0.163 231 HA ARG 30 HA ARG 30 -3.418 0.958 -0.045 232 HB2 ARG 30 HB2 ARG 30 -4.085 2.693 1.742 233 HB3 ARG 30 HB3 ARG 30 -5.655 2.734 0.942 234 HG2 ARG 30 HG2 ARG 30 -5.197 -0.025 1.235 235 HG3 ARG 30 HG3 ARG 30 -4.389 0.658 2.654 236 HD2 ARG 30 HD2 ARG 30 -6.563 0.189 3.385 237 HD3 ARG 30 HD3 ARG 30 -6.572 1.937 3.098 238 HE ARG 30 HE ARG 30 -7.416 0.362 0.768 239 HH11 ARG 30 HH11 ARG 30 -10.733 0.973 1.046 240 HH12 ARG 30 HH12 ARG 30 -9.399 0.359 0.075 241 HH21 ARG 30 HH21 ARG 30 -8.698 1.806 3.706 242 HH22 ARG 30 HH22 ARG 30 -10.323 1.808 3.067 243 HA PRO 31 HA PRO 31 -6.068 0.221 -3.616 244 HB2 PRO 31 HB2 PRO 31 -6.282 -2.528 -2.415 245 HB3 PRO 31 HB3 PRO 31 -5.922 -2.062 -4.102 246 HG2 PRO 31 HG2 PRO 31 -3.952 -2.869 -2.415 247 HG3 PRO 31 HG3 PRO 31 -3.677 -1.488 -3.525 248 HD2 PRO 31 HD2 PRO 31 -4.381 -1.456 -0.583 249 HD3 PRO 31 HD3 PRO 31 -3.184 -0.484 -1.496 250 H SER 32 H SER 32 -8.267 -0.413 -4.157 251 HA SER 32 HA SER 32 -10.226 -0.834 -2.011 252 HB2 SER 32 HB2 SER 32 -11.602 1.096 -2.592 253 HB3 SER 32 HB3 SER 32 -10.019 1.609 -1.998 254 HG SER 32 HG SER 32 -9.389 2.057 -4.085 255 H GLY 33 H GLY 33 -12.375 -1.306 -2.795 256 HA2 GLY 33 HA2 GLY 33 -13.025 -1.808 -5.554 257 HA3 GLY 33 HA3 GLY 33 -12.461 -3.288 -4.774 258 H1' ALL 101 H1 ALL 34 11.996 1.965 -0.486 259 H2' ALL 101 H2 ALL 34 13.717 4.127 -1.815 260 H3' ALL 101 H3 ALL 34 11.778 4.690 -3.180 261 H4' ALL 101 H4 ALL 34 13.270 3.035 -4.161 262 H5' ALL 101 H5 ALL 34 11.613 0.884 -2.772 263 H6'1 ALL 101 H62 ALL 34 12.743 0.286 -5.024 264 H6'2 ALL 101 H61 ALL 34 13.165 -0.717 -3.623 265 HO'2 ALL 101 H2O ALL 34 11.647 4.242 0.133 266 HO'3 ALL 101 H3O ALL 34 10.082 4.073 -1.834 267 HO'4 ALL 101 H4O ALL 34 10.483 2.573 -4.334 268 HO'6 ALL 101 H6O ALL 34 14.957 0.788 -3.298 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 -10.963 -3.762 5.437 2 H2 LYS 1 H2 LYS 1 -11.153 -5.090 6.377 3 H3 LYS 1 H3 LYS 1 -11.875 -5.011 4.907 4 HA LYS 1 HA LYS 1 -8.974 -5.073 5.381 5 HB2 LYS 1 HB2 LYS 1 -10.140 -7.222 5.895 6 HB3 LYS 1 HB3 LYS 1 -10.780 -7.256 4.258 7 HG2 LYS 1 HG2 LYS 1 -8.921 -8.788 4.497 8 HG3 LYS 1 HG3 LYS 1 -8.500 -7.537 3.347 9 HD2 LYS 1 HD2 LYS 1 -7.187 -6.370 5.204 10 HD3 LYS 1 HD3 LYS 1 -7.593 -7.738 6.259 11 HE2 LYS 1 HE2 LYS 1 -6.492 -9.281 4.619 12 HE3 LYS 1 HE3 LYS 1 -6.043 -7.886 3.627 13 HZ1 LYS 1 HZ1 LYS 1 -5.145 -8.347 6.421 14 HZ2 LYS 1 HZ2 LYS 1 -4.231 -8.569 5.083 15 HZ3 LYS 1 HZ3 LYS 1 -4.711 -7.067 5.492 16 H LEU 2 H LEU 2 -7.713 -5.414 3.410 17 HA LEU 2 HA LEU 2 -8.203 -3.573 1.317 18 HB2 LEU 2 HB2 LEU 2 -6.352 -5.960 1.699 19 HB3 LEU 2 HB3 LEU 2 -6.264 -4.953 0.256 20 HG LEU 2 HG LEU 2 -5.996 -3.718 3.012 21 HD11 LEU 2 HD11 LEU 2 -3.565 -3.862 2.716 22 HD12 LEU 2 HD12 LEU 2 -4.286 -5.478 2.783 23 HD13 LEU 2 HD13 LEU 2 -3.789 -4.793 1.215 24 HD21 LEU 2 HD21 LEU 2 -5.028 -2.893 0.234 25 HD22 LEU 2 HD22 LEU 2 -6.435 -2.204 1.073 26 HD23 LEU 2 HD23 LEU 2 -4.808 -1.974 1.739 27 HA PRO 3 HA PRO 3 -10.615 -5.732 -1.688 28 HB2 PRO 3 HB2 PRO 3 -8.818 -4.998 -3.936 29 HB3 PRO 3 HB3 PRO 3 -10.507 -4.510 -3.629 30 HG2 PRO 3 HG2 PRO 3 -8.391 -2.791 -3.331 31 HG3 PRO 3 HG3 PRO 3 -9.857 -2.713 -2.289 32 HD2 PRO 3 HD2 PRO 3 -7.185 -3.986 -1.688 33 HD3 PRO 3 HD3 PRO 3 -8.199 -2.935 -0.657 34 HA PRO 4 HA PRO 4 -9.442 -9.774 -2.625 35 HB2 PRO 4 HB2 PRO 4 -9.857 -9.360 -5.596 36 HB3 PRO 4 HB3 PRO 4 -10.398 -10.720 -4.559 37 HG2 PRO 4 HG2 PRO 4 -12.135 -8.749 -5.173 38 HG3 PRO 4 HG3 PRO 4 -12.033 -9.328 -3.476 39 HD2 PRO 4 HD2 PRO 4 -10.779 -6.860 -4.702 40 HD3 PRO 4 HD3 PRO 4 -11.639 -7.039 -3.140 41 H GLY 5 H GLY 5 -7.525 -10.609 -2.398 42 HA2 GLY 5 HA2 GLY 5 -5.439 -11.450 -2.914 43 HA3 GLY 5 HA3 GLY 5 -5.451 -10.568 -4.451 44 H TRP 6 H TRP 6 -6.027 -8.021 -2.567 45 HA TRP 6 HA TRP 6 -3.234 -7.221 -2.508 46 HB2 TRP 6 HB2 TRP 6 -5.767 -5.832 -1.673 47 HB3 TRP 6 HB3 TRP 6 -4.162 -5.108 -1.509 48 HD1 TRP 6 HD1 TRP 6 -6.841 -5.885 -4.032 49 HE1 TRP 6 HE1 TRP 6 -6.261 -4.895 -6.329 50 HE3 TRP 6 HE3 TRP 6 -1.984 -4.610 -3.119 51 HZ2 TRP 6 HZ2 TRP 6 -3.902 -3.937 -7.670 52 HZ3 TRP 6 HZ3 TRP 6 -0.552 -3.750 -4.966 53 HH2 TRP 6 HH2 TRP 6 -1.494 -3.396 -7.231 54 H GLU 7 H GLU 7 -1.834 -6.958 -0.898 55 HA GLU 7 HA GLU 7 -2.679 -6.963 1.922 56 HB2 GLU 7 HB2 GLU 7 -2.247 -9.352 1.301 57 HB3 GLU 7 HB3 GLU 7 -0.613 -8.914 0.813 58 HG2 GLU 7 HG2 GLU 7 -0.694 -9.982 3.032 59 HG3 GLU 7 HG3 GLU 7 -0.023 -8.363 3.118 60 H LYS 8 H LYS 8 -1.015 -6.090 3.358 61 HA LYS 8 HA LYS 8 0.620 -4.011 2.152 62 HB2 LYS 8 HB2 LYS 8 0.303 -5.021 4.983 63 HB3 LYS 8 HB3 LYS 8 1.599 -3.894 4.553 64 HG2 LYS 8 HG2 LYS 8 -0.033 -2.304 3.611 65 HG3 LYS 8 HG3 LYS 8 -1.348 -3.417 4.001 66 HD2 LYS 8 HD2 LYS 8 -1.320 -1.728 5.692 67 HD3 LYS 8 HD3 LYS 8 -0.705 -3.211 6.442 68 HE2 LYS 8 HE2 LYS 8 1.639 -2.371 6.110 69 HE3 LYS 8 HE3 LYS 8 0.991 -0.911 5.354 70 HZ1 LYS 8 HZ1 LYS 8 1.496 -0.554 7.704 71 HZ2 LYS 8 HZ2 LYS 8 -0.109 -0.387 7.462 72 HZ3 LYS 8 HZ3 LYS 8 0.476 -1.743 8.160 73 H ARG 9 H ARG 9 2.706 -3.729 1.986 74 HA ARG 9 HA ARG 9 4.651 -5.956 2.286 75 HB2 ARG 9 HB2 ARG 9 3.402 -5.906 -0.021 76 HB3 ARG 9 HB3 ARG 9 4.284 -4.419 -0.323 77 HG2 ARG 9 HG2 ARG 9 5.403 -6.219 -1.415 78 HG3 ARG 9 HG3 ARG 9 6.439 -5.731 -0.061 79 HD2 ARG 9 HD2 ARG 9 5.566 -7.656 1.261 80 HD3 ARG 9 HD3 ARG 9 4.532 -8.123 -0.101 81 HE ARG 9 HE ARG 9 7.426 -8.519 0.199 82 HH11 ARG 9 HH11 ARG 9 7.792 -10.127 -2.808 83 HH12 ARG 9 HH12 ARG 9 8.529 -9.732 -1.281 84 HH21 ARG 9 HH21 ARG 9 4.855 -8.486 -2.193 85 HH22 ARG 9 HH22 ARG 9 5.774 -9.450 -3.312 86 H MET 10 H MET 10 6.948 -5.125 1.922 87 HA MET 10 HA MET 10 7.287 -2.222 2.209 88 HB2 MET 10 HB2 MET 10 6.685 -3.071 4.509 89 HB3 MET 10 HB3 MET 10 8.149 -4.076 4.461 90 HG2 MET 10 HG2 MET 10 9.491 -1.945 4.160 91 HG3 MET 10 HG3 MET 10 7.988 -1.043 4.315 92 HE1 MET 10 HE1 MET 10 10.276 -3.225 7.680 93 HE2 MET 10 HE2 MET 10 9.592 -4.136 6.319 94 HE3 MET 10 HE3 MET 10 10.864 -2.927 6.030 95 H PHE 11 H PHE 11 9.164 -1.494 1.556 96 HA PHE 11 HA PHE 11 11.162 -3.209 0.355 97 HB2 PHE 11 HB2 PHE 11 10.875 -0.222 0.666 98 HB3 PHE 11 HB3 PHE 11 12.284 -0.971 -0.095 99 HD1 PHE 11 HD1 PHE 11 9.000 0.317 -0.720 100 HD2 PHE 11 HD2 PHE 11 11.844 -2.658 -2.043 101 HE1 PHE 11 HE1 PHE 11 7.857 0.183 -2.909 102 HE2 PHE 11 HE2 PHE 11 10.689 -2.775 -4.240 103 HZ PHE 11 HZ PHE 11 8.697 -1.348 -4.676 104 H ALA 12 H ALA 12 13.467 -3.138 0.714 105 HA ALA 12 HA ALA 12 14.219 -3.668 3.400 106 HB1 ALA 12 HB1 ALA 12 15.326 -4.602 1.401 107 HB2 ALA 12 HB2 ALA 12 15.936 -2.985 0.972 108 HB3 ALA 12 HB3 ALA 12 16.495 -3.787 2.455 109 H ASN 13 H ASN 13 14.108 -0.615 1.714 110 HA ASN 13 HA ASN 13 15.766 0.851 3.639 111 HB2 ASN 13 HB2 ASN 13 15.138 2.817 2.292 112 HB3 ASN 13 HB3 ASN 13 15.767 1.492 1.301 113 HD21 ASN 13 HD21 ASN 13 14.771 2.536 -0.518 114 H GLY 14 H GLY 14 12.687 -0.410 3.974 115 HA2 GLY 14 HA2 GLY 14 11.258 -0.114 5.783 116 HA3 GLY 14 HA3 GLY 14 12.014 1.439 6.175 117 H THR 15 H THR 15 10.936 0.963 2.863 118 HA THR 15 HA THR 15 8.734 2.930 3.262 119 HB THR 15 HB THR 15 9.869 1.784 0.694 120 HG1 THR 15 HG1 THR 15 11.369 2.959 1.653 121 HG21 THR 15 HG21 THR 15 7.850 3.983 1.230 122 HG22 THR 15 HG22 THR 15 8.776 3.876 -0.277 123 HG23 THR 15 HG23 THR 15 7.702 2.550 0.173 124 H VAL 16 H VAL 16 6.653 2.342 3.382 125 HA VAL 16 HA VAL 16 5.889 -0.495 2.923 126 HB VAL 16 HB VAL 16 4.552 1.843 4.331 127 HG11 VAL 16 HG11 VAL 16 3.447 -0.977 3.981 128 HG12 VAL 16 HG12 VAL 16 2.820 0.256 5.101 129 HG13 VAL 16 HG13 VAL 16 2.720 0.527 3.366 130 HG21 VAL 16 HG21 VAL 16 5.571 -0.845 5.352 131 HG22 VAL 16 HG22 VAL 16 6.397 0.717 5.566 132 HG23 VAL 16 HG23 VAL 16 4.825 0.430 6.331 133 H TYR 17 H TYR 17 4.352 -1.147 1.546 134 HA TYR 17 HA TYR 17 2.745 0.653 -0.118 135 HB2 TYR 17 HB2 TYR 17 3.642 -0.070 -2.217 136 HB3 TYR 17 HB3 TYR 17 4.958 0.564 -1.282 137 HD1 TYR 17 HD1 TYR 17 6.581 -1.101 -0.130 138 HD2 TYR 17 HD2 TYR 17 3.768 -2.225 -3.204 139 HE1 TYR 17 HE1 TYR 17 7.999 -3.054 -0.725 140 HE2 TYR 17 HE2 TYR 17 5.164 -4.211 -3.753 141 HH TYR 17 HH TYR 17 8.338 -4.749 -2.210 142 H TYR 18 H TYR 18 1.791 -1.154 -1.906 143 HA TYR 18 HA TYR 18 0.737 -3.446 -0.302 144 HB2 TYR 18 HB2 TYR 18 -0.785 -1.665 -2.241 145 HB3 TYR 18 HB3 TYR 18 -1.430 -3.045 -1.339 146 HD1 TYR 18 HD1 TYR 18 -0.235 0.454 -1.087 147 HD2 TYR 18 HD2 TYR 18 -1.971 -2.871 1.042 148 HE1 TYR 18 HE1 TYR 18 -0.710 1.946 0.831 149 HE2 TYR 18 HE2 TYR 18 -2.496 -1.355 2.958 150 HH TYR 18 HH TYR 18 -1.554 2.092 2.950 151 H PHE 19 H PHE 19 0.407 -5.341 -1.356 152 HA PHE 19 HA PHE 19 1.236 -5.605 -4.216 153 HB2 PHE 19 HB2 PHE 19 3.199 -6.017 -2.885 154 HB3 PHE 19 HB3 PHE 19 2.313 -7.157 -1.857 155 HD1 PHE 19 HD1 PHE 19 3.431 -6.512 -5.336 156 HD2 PHE 19 HD2 PHE 19 2.070 -9.502 -2.534 157 HE1 PHE 19 HE1 PHE 19 3.929 -8.264 -6.981 158 HE2 PHE 19 HE2 PHE 19 2.648 -11.278 -4.166 159 HZ PHE 19 HZ PHE 19 3.576 -10.679 -6.395 160 H ASN 20 H ASN 20 0.070 -6.992 -5.421 161 HA ASN 20 HA ASN 20 -2.169 -8.403 -4.081 162 HB2 ASN 20 HB2 ASN 20 -2.534 -6.789 -5.992 163 HB3 ASN 20 HB3 ASN 20 -1.762 -7.980 -7.053 164 HD21 ASN 20 HD21 ASN 20 -4.716 -6.915 -6.138 165 HD22 ASN 20 HD22 ASN 20 -5.627 -8.416 -6.167 166 H HIS 21 H HIS 21 -1.860 -10.477 -3.537 167 HA HIS 21 HA HIS 21 0.377 -12.001 -4.575 168 HB2 HIS 21 HB2 HIS 21 -0.029 -13.469 -2.891 169 HB3 HIS 21 HB3 HIS 21 -0.741 -12.010 -2.207 170 HD2 HIS 21 HD2 HIS 21 -3.317 -12.128 -1.563 171 HE1 HIS 21 HE1 HIS 21 -4.105 -16.102 -2.885 172 HE2 HIS 21 HE2 HIS 21 -5.029 -14.126 -1.573 173 H ILE 22 H ILE 22 -2.936 -11.744 -5.599 174 HA ILE 22 HA ILE 22 -3.016 -14.324 -7.010 175 HB ILE 22 HB ILE 22 -4.952 -11.965 -6.970 176 HG12 ILE 22 HG12 ILE 22 -4.972 -14.571 -5.361 177 HG13 ILE 22 HG13 ILE 22 -4.627 -12.958 -4.716 178 HG21 ILE 22 HG21 ILE 22 -6.615 -13.566 -7.845 179 HG22 ILE 22 HG22 ILE 22 -5.272 -13.391 -8.956 180 HG23 ILE 22 HG23 ILE 22 -5.367 -14.832 -7.917 181 HD11 ILE 22 HD11 ILE 22 -6.826 -13.441 -4.076 182 HD12 ILE 22 HD12 ILE 22 -6.958 -12.256 -5.391 183 HD13 ILE 22 HD13 ILE 22 -7.297 -13.979 -5.698 184 H THR 23 H THR 23 -2.732 -10.875 -7.777 185 HA THR 23 HA THR 23 -2.434 -11.470 -10.665 186 HB THR 23 HB THR 23 -3.301 -9.390 -11.179 187 HG1 THR 23 HG1 THR 23 -3.822 -8.104 -9.107 188 HG21 THR 23 HG21 THR 23 -4.866 -10.095 -8.654 189 HG22 THR 23 HG22 THR 23 -5.436 -9.222 -10.089 190 HG23 THR 23 HG23 THR 23 -5.039 -10.944 -10.207 191 H ASN 24 H ASN 24 -0.373 -10.706 -8.173 192 HA ASN 24 HA ASN 24 1.716 -10.017 -7.960 193 HB2 ASN 24 HB2 ASN 24 2.004 -10.614 -10.920 194 HB3 ASN 24 HB3 ASN 24 3.335 -10.355 -9.783 195 HD21 ASN 24 HD21 ASN 24 1.608 -12.772 -11.272 196 HD22 ASN 24 HD22 ASN 24 1.928 -14.045 -10.090 197 H ALA 25 H ALA 25 -0.421 -8.001 -8.947 198 HA ALA 25 HA ALA 25 1.123 -5.769 -9.971 199 HB1 ALA 25 HB1 ALA 25 -1.598 -5.886 -8.598 200 HB2 ALA 25 HB2 ALA 25 -0.940 -4.507 -9.507 201 HB3 ALA 25 HB3 ALA 25 -1.307 -6.026 -10.345 202 H SER 26 H SER 26 1.661 -3.826 -8.848 203 HA SER 26 HA SER 26 1.693 -3.891 -5.883 204 HB2 SER 26 HB2 SER 26 3.932 -2.925 -5.809 205 HB3 SER 26 HB3 SER 26 3.923 -4.552 -6.497 206 HG SER 26 HG SER 26 5.222 -3.129 -7.716 207 H GLN 27 H GLN 27 1.558 -1.883 -4.855 208 HA GLN 27 HA GLN 27 1.037 0.569 -6.411 209 HB2 GLN 27 HB2 GLN 27 -1.017 -0.505 -6.788 210 HB3 GLN 27 HB3 GLN 27 -1.068 -1.197 -5.168 211 HG2 GLN 27 HG2 GLN 27 -2.777 0.505 -5.467 212 HG3 GLN 27 HG3 GLN 27 -1.646 0.875 -4.179 213 HE21 GLN 27 HE21 GLN 27 -2.383 3.050 -4.319 214 HE22 GLN 27 HE22 GLN 27 -1.643 4.144 -5.500 215 H PHE 28 H PHE 28 1.048 2.438 -5.197 216 HA PHE 28 HA PHE 28 2.267 2.134 -2.537 217 HB2 PHE 28 HB2 PHE 28 2.341 4.367 -4.523 218 HB3 PHE 28 HB3 PHE 28 2.817 4.599 -2.838 219 HD1 PHE 28 HD1 PHE 28 3.753 3.026 -6.027 220 HD2 PHE 28 HD2 PHE 28 4.772 3.444 -1.853 221 HE1 PHE 28 HE1 PHE 28 6.033 2.150 -6.491 222 HE2 PHE 28 HE2 PHE 28 7.050 2.579 -2.325 223 HZ PHE 28 HZ PHE 28 7.686 1.938 -4.647 224 H GLU 29 H GLU 29 -0.330 4.311 -3.709 225 HA GLU 29 HA GLU 29 -1.179 4.924 -0.974 226 HB2 GLU 29 HB2 GLU 29 -2.752 5.352 -3.552 227 HB3 GLU 29 HB3 GLU 29 -3.003 6.089 -1.985 228 HG2 GLU 29 HG2 GLU 29 -1.974 7.794 -3.106 229 HG3 GLU 29 HG3 GLU 29 -0.624 7.088 -2.227 230 H ARG 30 H ARG 30 -3.273 4.302 -0.074 231 HA ARG 30 HA ARG 30 -3.614 1.547 0.107 232 HB2 ARG 30 HB2 ARG 30 -4.405 3.572 1.573 233 HB3 ARG 30 HB3 ARG 30 -5.906 3.452 0.677 234 HG2 ARG 30 HG2 ARG 30 -4.578 1.282 2.360 235 HG3 ARG 30 HG3 ARG 30 -5.934 2.298 2.856 236 HD2 ARG 30 HD2 ARG 30 -5.950 0.148 0.710 237 HD3 ARG 30 HD3 ARG 30 -6.672 0.037 2.305 238 HE ARG 30 HE ARG 30 -7.829 1.176 -0.063 239 HH11 ARG 30 HH11 ARG 30 -9.896 2.029 -0.023 240 HH12 ARG 30 HH12 ARG 30 -10.593 2.503 1.499 241 HH21 ARG 30 HH21 ARG 30 -7.924 1.590 3.426 242 HH22 ARG 30 HH22 ARG 30 -9.532 2.262 3.384 243 HA PRO 31 HA PRO 31 -5.573 0.688 -3.867 244 HB2 PRO 31 HB2 PRO 31 -6.186 -1.907 -2.430 245 HB3 PRO 31 HB3 PRO 31 -5.650 -1.666 -4.125 246 HG2 PRO 31 HG2 PRO 31 -3.856 -2.367 -2.230 247 HG3 PRO 31 HG3 PRO 31 -3.439 -1.071 -3.400 248 HD2 PRO 31 HD2 PRO 31 -4.365 -0.797 -0.537 249 HD3 PRO 31 HD3 PRO 31 -3.112 0.112 -1.421 250 H SER 32 H SER 32 -7.606 0.917 -4.717 251 HA SER 32 HA SER 32 -9.714 1.767 -4.750 252 HB2 SER 32 HB2 SER 32 -10.254 -0.527 -2.842 253 HB3 SER 32 HB3 SER 32 -11.492 0.428 -3.674 254 HG SER 32 HG SER 32 -11.010 -1.441 -4.854 255 H GLY 33 H GLY 33 -8.400 3.534 -3.501 256 HA2 GLY 33 HA2 GLY 33 -10.195 4.848 -1.669 257 HA3 GLY 33 HA3 GLY 33 -8.792 4.204 -0.809 258 H1' ALL 101 H1 ALL 34 11.868 1.903 -0.741 259 H2' ALL 101 H2 ALL 34 13.475 4.066 -2.210 260 H3' ALL 101 H3 ALL 34 11.365 4.604 -3.359 261 H4' ALL 101 H4 ALL 34 12.829 3.013 -4.476 262 H5' ALL 101 H5 ALL 34 11.368 0.794 -2.973 263 H6'1 ALL 101 H62 ALL 34 12.294 0.181 -5.274 264 H6'2 ALL 101 H61 ALL 34 12.960 -0.745 -3.914 265 HO'2 ALL 101 H2O ALL 34 11.388 4.277 -0.249 266 HO'3 ALL 101 H3O ALL 34 9.670 2.955 -3.126 267 HO'4 ALL 101 H4O ALL 34 11.229 2.113 -5.763 268 HO'6 ALL 101 H6O ALL 34 14.688 0.834 -3.857 Start of MODEL 11 1 H1 LYS 1 H1 LYS 1 -10.368 -7.365 6.198 2 H2 LYS 1 H2 LYS 1 -9.680 -8.256 5.006 3 H3 LYS 1 H3 LYS 1 -10.879 -7.198 4.652 4 HA LYS 1 HA LYS 1 -9.514 -5.324 5.251 5 HB2 LYS 1 HB2 LYS 1 -8.192 -6.643 6.975 6 HB3 LYS 1 HB3 LYS 1 -7.296 -7.373 5.644 7 HG2 LYS 1 HG2 LYS 1 -6.699 -4.921 4.953 8 HG3 LYS 1 HG3 LYS 1 -7.372 -4.458 6.515 9 HD2 LYS 1 HD2 LYS 1 -5.031 -4.629 6.834 10 HD3 LYS 1 HD3 LYS 1 -5.692 -6.098 7.572 11 HE2 LYS 1 HE2 LYS 1 -5.145 -7.362 5.475 12 HE3 LYS 1 HE3 LYS 1 -4.530 -5.872 4.751 13 HZ1 LYS 1 HZ1 LYS 1 -2.855 -5.815 6.551 14 HZ2 LYS 1 HZ2 LYS 1 -3.370 -7.275 7.089 15 HZ3 LYS 1 HZ3 LYS 1 -2.715 -7.128 5.588 16 H LEU 2 H LEU 2 -8.901 -4.274 3.462 17 HA LEU 2 HA LEU 2 -8.400 -3.743 1.359 18 HB2 LEU 2 HB2 LEU 2 -6.457 -6.040 1.734 19 HB3 LEU 2 HB3 LEU 2 -6.477 -5.088 0.260 20 HG LEU 2 HG LEU 2 -6.123 -3.789 2.981 21 HD11 LEU 2 HD11 LEU 2 -4.322 -5.447 2.586 22 HD12 LEU 2 HD12 LEU 2 -3.973 -4.686 1.020 23 HD13 LEU 2 HD13 LEU 2 -3.721 -3.783 2.533 24 HD21 LEU 2 HD21 LEU 2 -5.488 -2.905 0.131 25 HD22 LEU 2 HD22 LEU 2 -6.774 -2.244 1.167 26 HD23 LEU 2 HD23 LEU 2 -5.080 -1.999 1.604 27 HA PRO 3 HA PRO 3 -10.771 -5.948 -1.664 28 HB2 PRO 3 HB2 PRO 3 -8.896 -5.276 -3.868 29 HB3 PRO 3 HB3 PRO 3 -10.605 -4.803 -3.650 30 HG2 PRO 3 HG2 PRO 3 -8.535 -3.039 -3.335 31 HG3 PRO 3 HG3 PRO 3 -10.031 -2.953 -2.335 32 HD2 PRO 3 HD2 PRO 3 -7.360 -4.165 -1.623 33 HD3 PRO 3 HD3 PRO 3 -8.419 -3.094 -0.652 34 HA PRO 4 HA PRO 4 -9.425 -10.008 -2.363 35 HB2 PRO 4 HB2 PRO 4 -9.929 -9.776 -5.339 36 HB3 PRO 4 HB3 PRO 4 -10.404 -11.087 -4.212 37 HG2 PRO 4 HG2 PRO 4 -12.214 -9.211 -4.909 38 HG3 PRO 4 HG3 PRO 4 -12.067 -9.689 -3.184 39 HD2 PRO 4 HD2 PRO 4 -10.909 -7.257 -4.570 40 HD3 PRO 4 HD3 PRO 4 -11.749 -7.372 -2.992 41 H GLY 5 H GLY 5 -7.461 -10.774 -2.184 42 HA2 GLY 5 HA2 GLY 5 -5.365 -11.551 -2.766 43 HA3 GLY 5 HA3 GLY 5 -5.467 -10.698 -4.316 44 H TRP 6 H TRP 6 -6.064 -8.131 -2.480 45 HA TRP 6 HA TRP 6 -3.291 -7.249 -2.502 46 HB2 TRP 6 HB2 TRP 6 -5.857 -5.909 -1.701 47 HB3 TRP 6 HB3 TRP 6 -4.274 -5.143 -1.522 48 HD1 TRP 6 HD1 TRP 6 -6.868 -6.059 -4.101 49 HE1 TRP 6 HE1 TRP 6 -6.311 -4.984 -6.367 50 HE3 TRP 6 HE3 TRP 6 -2.136 -4.425 -3.064 51 HZ2 TRP 6 HZ2 TRP 6 -4.062 -3.663 -7.596 52 HZ3 TRP 6 HZ3 TRP 6 -0.815 -3.217 -4.807 53 HH2 TRP 6 HH2 TRP 6 -1.753 -2.863 -7.069 54 H GLU 7 H GLU 7 -1.880 -6.888 -0.927 55 HA GLU 7 HA GLU 7 -2.606 -6.919 1.922 56 HB2 GLU 7 HB2 GLU 7 -2.296 -9.247 1.578 57 HB3 GLU 7 HB3 GLU 7 -0.907 -8.997 0.538 58 HG2 GLU 7 HG2 GLU 7 -0.269 -10.000 2.629 59 HG3 GLU 7 HG3 GLU 7 0.512 -8.453 2.390 60 H LYS 8 H LYS 8 -0.992 -6.010 3.286 61 HA LYS 8 HA LYS 8 0.648 -3.948 2.032 62 HB2 LYS 8 HB2 LYS 8 0.202 -4.789 4.901 63 HB3 LYS 8 HB3 LYS 8 1.505 -3.670 4.466 64 HG2 LYS 8 HG2 LYS 8 -0.088 -2.160 3.358 65 HG3 LYS 8 HG3 LYS 8 -1.411 -3.272 3.715 66 HD2 LYS 8 HD2 LYS 8 -1.508 -1.484 5.306 67 HD3 LYS 8 HD3 LYS 8 -0.967 -2.928 6.175 68 HE2 LYS 8 HE2 LYS 8 1.397 -2.119 6.005 69 HE3 LYS 8 HE3 LYS 8 0.837 -0.700 5.113 70 HZ1 LYS 8 HZ1 LYS 8 -0.435 -0.045 7.082 71 HZ2 LYS 8 HZ2 LYS 8 0.072 -1.363 7.907 72 HZ3 LYS 8 HZ3 LYS 8 1.141 -0.209 7.472 73 H ARG 9 H ARG 9 2.750 -3.658 1.948 74 HA ARG 9 HA ARG 9 4.678 -5.882 2.420 75 HB2 ARG 9 HB2 ARG 9 3.451 -5.576 -0.055 76 HB3 ARG 9 HB3 ARG 9 4.771 -4.441 -0.213 77 HG2 ARG 9 HG2 ARG 9 5.718 -6.349 -1.067 78 HG3 ARG 9 HG3 ARG 9 6.262 -6.490 0.614 79 HD2 ARG 9 HD2 ARG 9 3.973 -7.944 -0.780 80 HD3 ARG 9 HD3 ARG 9 5.487 -8.639 -0.182 81 HE ARG 9 HE ARG 9 3.352 -7.474 1.598 82 HH11 ARG 9 HH11 ARG 9 5.540 -10.176 1.049 83 HH12 ARG 9 HH12 ARG 9 5.057 -10.933 2.546 84 HH21 ARG 9 HH21 ARG 9 2.867 -8.415 3.414 85 HH22 ARG 9 HH22 ARG 9 3.557 -9.966 3.861 86 H MET 10 H MET 10 6.978 -5.083 1.987 87 HA MET 10 HA MET 10 7.362 -2.200 2.378 88 HB2 MET 10 HB2 MET 10 6.750 -3.062 4.638 89 HB3 MET 10 HB3 MET 10 8.131 -4.176 4.557 90 HG2 MET 10 HG2 MET 10 9.615 -2.125 4.290 91 HG3 MET 10 HG3 MET 10 8.202 -1.135 4.638 92 HE1 MET 10 HE1 MET 10 7.135 -0.880 7.076 93 HE2 MET 10 HE2 MET 10 6.672 -2.596 6.954 94 HE3 MET 10 HE3 MET 10 7.494 -1.995 8.408 95 H PHE 11 H PHE 11 9.227 -1.488 1.691 96 HA PHE 11 HA PHE 11 11.204 -3.184 0.438 97 HB2 PHE 11 HB2 PHE 11 10.930 -0.205 0.820 98 HB3 PHE 11 HB3 PHE 11 12.340 -0.934 0.047 99 HD1 PHE 11 HD1 PHE 11 9.058 0.366 -0.556 100 HD2 PHE 11 HD2 PHE 11 11.914 -2.566 -1.946 101 HE1 PHE 11 HE1 PHE 11 7.925 0.289 -2.755 102 HE2 PHE 11 HE2 PHE 11 10.772 -2.623 -4.152 103 HZ PHE 11 HZ PHE 11 8.779 -1.188 -4.559 104 H ALA 12 H ALA 12 13.521 -3.119 0.770 105 HA ALA 12 HA ALA 12 14.312 -3.715 3.429 106 HB1 ALA 12 HB1 ALA 12 16.578 -3.783 2.454 107 HB2 ALA 12 HB2 ALA 12 15.403 -4.579 1.390 108 HB3 ALA 12 HB3 ALA 12 15.992 -2.943 1.002 109 H ASN 13 H ASN 13 14.151 -0.613 1.835 110 HA ASN 13 HA ASN 13 15.819 0.803 3.794 111 HB2 ASN 13 HB2 ASN 13 15.198 2.802 2.494 112 HB3 ASN 13 HB3 ASN 13 15.824 1.501 1.471 113 HD21 ASN 13 HD21 ASN 13 14.835 2.584 -0.325 114 H GLY 14 H GLY 14 12.740 -0.463 4.095 115 HA2 GLY 14 HA2 GLY 14 11.311 -0.210 5.912 116 HA3 GLY 14 HA3 GLY 14 12.065 1.336 6.338 117 H THR 15 H THR 15 10.994 0.957 3.017 118 HA THR 15 HA THR 15 8.789 2.909 3.467 119 HB THR 15 HB THR 15 9.944 1.828 0.877 120 HG1 THR 15 HG1 THR 15 11.435 2.987 1.867 121 HG21 THR 15 HG21 THR 15 8.852 3.936 -0.057 122 HG22 THR 15 HG22 THR 15 7.780 2.593 0.359 123 HG23 THR 15 HG23 THR 15 7.913 4.006 1.446 124 H VAL 16 H VAL 16 6.661 2.401 3.356 125 HA VAL 16 HA VAL 16 5.894 -0.442 2.953 126 HB VAL 16 HB VAL 16 4.476 1.966 4.149 127 HG11 VAL 16 HG11 VAL 16 2.710 0.612 3.117 128 HG12 VAL 16 HG12 VAL 16 3.380 -0.864 3.853 129 HG13 VAL 16 HG13 VAL 16 2.683 0.423 4.865 130 HG21 VAL 16 HG21 VAL 16 5.415 -0.673 5.352 131 HG22 VAL 16 HG22 VAL 16 6.218 0.903 5.565 132 HG23 VAL 16 HG23 VAL 16 4.596 0.637 6.226 133 H TYR 17 H TYR 17 4.432 -1.137 1.504 134 HA TYR 17 HA TYR 17 2.931 0.641 -0.269 135 HB2 TYR 17 HB2 TYR 17 3.791 -0.249 -2.334 136 HB3 TYR 17 HB3 TYR 17 5.097 0.461 -1.435 137 HD1 TYR 17 HD1 TYR 17 6.717 -1.104 -0.143 138 HD2 TYR 17 HD2 TYR 17 3.966 -2.464 -3.185 139 HE1 TYR 17 HE1 TYR 17 8.158 -3.091 -0.584 140 HE2 TYR 17 HE2 TYR 17 5.404 -4.439 -3.606 141 HH TYR 17 HH TYR 17 7.390 -5.470 -3.123 142 H TYR 18 H TYR 18 1.815 -1.043 -1.963 143 HA TYR 18 HA TYR 18 0.693 -3.315 -0.375 144 HB2 TYR 18 HB2 TYR 18 -0.747 -1.467 -2.310 145 HB3 TYR 18 HB3 TYR 18 -1.445 -2.848 -1.454 146 HD1 TYR 18 HD1 TYR 18 -2.157 -2.682 0.853 147 HD2 TYR 18 HD2 TYR 18 -0.082 0.584 -1.051 148 HE1 TYR 18 HE1 TYR 18 -2.744 -1.183 2.763 149 HE2 TYR 18 HE2 TYR 18 -0.611 2.058 0.870 150 HH TYR 18 HH TYR 18 -1.638 2.214 2.906 151 H PHE 19 H PHE 19 0.300 -5.207 -1.433 152 HA PHE 19 HA PHE 19 1.117 -5.493 -4.290 153 HB2 PHE 19 HB2 PHE 19 3.083 -5.918 -2.919 154 HB3 PHE 19 HB3 PHE 19 2.163 -7.057 -1.918 155 HD1 PHE 19 HD1 PHE 19 3.215 -6.401 -5.433 156 HD2 PHE 19 HD2 PHE 19 2.090 -9.400 -2.542 157 HE1 PHE 19 HE1 PHE 19 3.731 -8.156 -7.074 158 HE2 PHE 19 HE2 PHE 19 2.679 -11.176 -4.172 159 HZ PHE 19 HZ PHE 19 3.492 -10.573 -6.445 160 H ASN 20 H ASN 20 -0.071 -6.916 -5.465 161 HA ASN 20 HA ASN 20 -2.224 -8.399 -4.048 162 HB2 ASN 20 HB2 ASN 20 -2.758 -6.801 -5.932 163 HB3 ASN 20 HB3 ASN 20 -1.966 -7.949 -7.030 164 HD21 ASN 20 HD21 ASN 20 -5.751 -8.634 -5.869 165 HD22 ASN 20 HD22 ASN 20 -4.929 -7.081 -5.767 166 H HIS 21 H HIS 21 -1.849 -10.473 -3.555 167 HA HIS 21 HA HIS 21 0.430 -11.888 -4.655 168 HB2 HIS 21 HB2 HIS 21 0.109 -13.411 -2.993 169 HB3 HIS 21 HB3 HIS 21 -0.614 -11.978 -2.266 170 HD2 HIS 21 HD2 HIS 21 -3.171 -12.164 -1.555 171 HE1 HIS 21 HE1 HIS 21 -3.893 -16.145 -2.894 172 HE2 HIS 21 HE2 HIS 21 -4.830 -14.208 -1.536 173 H ILE 22 H ILE 22 -2.906 -11.764 -5.618 174 HA ILE 22 HA ILE 22 -2.915 -14.344 -7.025 175 HB ILE 22 HB ILE 22 -4.942 -12.066 -6.966 176 HG12 ILE 22 HG12 ILE 22 -4.833 -14.637 -5.311 177 HG13 ILE 22 HG13 ILE 22 -4.527 -13.001 -4.700 178 HG21 ILE 22 HG21 ILE 22 -5.240 -13.542 -8.917 179 HG22 ILE 22 HG22 ILE 22 -5.260 -14.964 -7.848 180 HG23 ILE 22 HG23 ILE 22 -6.555 -13.746 -7.777 181 HD11 ILE 22 HD11 ILE 22 -6.693 -13.550 -4.003 182 HD12 ILE 22 HD12 ILE 22 -6.890 -12.384 -5.328 183 HD13 ILE 22 HD13 ILE 22 -7.184 -14.119 -5.608 184 H THR 23 H THR 23 -2.780 -10.889 -7.804 185 HA THR 23 HA THR 23 -2.498 -11.474 -10.699 186 HB THR 23 HB THR 23 -3.457 -9.406 -11.181 187 HG1 THR 23 HG1 THR 23 -4.059 -8.166 -9.140 188 HG21 THR 23 HG21 THR 23 -5.103 -11.095 -10.278 189 HG22 THR 23 HG22 THR 23 -4.996 -10.289 -8.698 190 HG23 THR 23 HG23 THR 23 -5.608 -9.406 -10.110 191 H ASN 24 H ASN 24 -0.445 -10.627 -8.230 192 HA ASN 24 HA ASN 24 1.607 -9.827 -8.040 193 HB2 ASN 24 HB2 ASN 24 1.881 -10.356 -11.015 194 HB3 ASN 24 HB3 ASN 24 3.211 -10.059 -9.886 195 HD21 ASN 24 HD21 ASN 24 1.586 -12.521 -11.412 196 HD22 ASN 24 HD22 ASN 24 1.980 -13.804 -10.262 197 H ALA 25 H ALA 25 -0.650 -7.913 -8.926 198 HA ALA 25 HA ALA 25 0.703 -5.590 -9.987 199 HB1 ALA 25 HB1 ALA 25 -1.741 -5.957 -10.152 200 HB2 ALA 25 HB2 ALA 25 -1.880 -5.843 -8.384 201 HB3 ALA 25 HB3 ALA 25 -1.364 -4.431 -9.329 202 H SER 26 H SER 26 1.308 -3.669 -8.877 203 HA SER 26 HA SER 26 1.577 -3.750 -5.931 204 HB2 SER 26 HB2 SER 26 3.899 -2.913 -6.048 205 HB3 SER 26 HB3 SER 26 3.714 -4.569 -6.621 206 HG SER 26 HG SER 26 3.861 -2.255 -8.281 207 H GLN 27 H GLN 27 1.458 -1.761 -4.914 208 HA GLN 27 HA GLN 27 1.343 0.742 -6.472 209 HB2 GLN 27 HB2 GLN 27 -0.858 -0.281 -6.852 210 HB3 GLN 27 HB3 GLN 27 -1.076 -0.508 -5.117 211 HG2 GLN 27 HG2 GLN 27 -2.403 1.352 -5.927 212 HG3 GLN 27 HG3 GLN 27 -1.197 1.896 -4.773 213 HE21 GLN 27 HE21 GLN 27 -1.796 1.681 -8.332 214 HE22 GLN 27 HE22 GLN 27 -0.751 3.054 -8.709 215 H PHE 28 H PHE 28 1.451 2.612 -5.206 216 HA PHE 28 HA PHE 28 2.424 2.215 -2.442 217 HB2 PHE 28 HB2 PHE 28 2.596 4.538 -4.347 218 HB3 PHE 28 HB3 PHE 28 2.985 4.681 -2.631 219 HD1 PHE 28 HD1 PHE 28 4.892 3.449 -1.615 220 HD2 PHE 28 HD2 PHE 28 4.121 3.369 -5.859 221 HE1 PHE 28 HE1 PHE 28 7.210 2.658 -2.025 222 HE2 PHE 28 HE2 PHE 28 6.439 2.567 -6.263 223 HZ PHE 28 HZ PHE 28 7.988 2.221 -4.351 224 H GLU 29 H GLU 29 -0.242 3.908 -3.994 225 HA GLU 29 HA GLU 29 -1.398 4.872 -1.491 226 HB2 GLU 29 HB2 GLU 29 -1.795 6.139 -3.469 227 HB3 GLU 29 HB3 GLU 29 -2.277 4.719 -4.380 228 HG2 GLU 29 HG2 GLU 29 -4.154 6.149 -3.991 229 HG3 GLU 29 HG3 GLU 29 -4.395 4.588 -3.234 230 H ARG 30 H ARG 30 -3.370 4.099 -0.510 231 HA ARG 30 HA ARG 30 -3.509 1.255 -0.221 232 HB2 ARG 30 HB2 ARG 30 -4.314 3.078 1.418 233 HB3 ARG 30 HB3 ARG 30 -5.787 3.135 0.452 234 HG2 ARG 30 HG2 ARG 30 -5.440 0.377 0.914 235 HG3 ARG 30 HG3 ARG 30 -4.807 1.114 2.390 236 HD2 ARG 30 HD2 ARG 30 -7.043 0.742 2.887 237 HD3 ARG 30 HD3 ARG 30 -7.032 2.458 2.446 238 HE ARG 30 HE ARG 30 -7.562 0.882 0.103 239 HH11 ARG 30 HH11 ARG 30 -9.287 1.743 3.052 240 HH12 ARG 30 HH12 ARG 30 -10.828 1.372 2.308 241 HH21 ARG 30 HH21 ARG 30 -9.465 0.414 -0.686 242 HH22 ARG 30 HH22 ARG 30 -10.951 0.650 0.236 243 HA PRO 31 HA PRO 31 -5.650 0.273 -4.052 244 HB2 PRO 31 HB2 PRO 31 -6.427 -2.144 -2.402 245 HB3 PRO 31 HB3 PRO 31 -5.927 -2.081 -4.125 246 HG2 PRO 31 HG2 PRO 31 -4.135 -2.762 -2.218 247 HG3 PRO 31 HG3 PRO 31 -3.657 -1.601 -3.506 248 HD2 PRO 31 HD2 PRO 31 -4.445 -1.042 -0.649 249 HD3 PRO 31 HD3 PRO 31 -3.172 -0.300 -1.657 250 H SER 32 H SER 32 -7.670 0.605 -4.896 251 HA SER 32 HA SER 32 -9.563 1.931 -3.227 252 HB2 SER 32 HB2 SER 32 -9.116 2.549 -5.560 253 HB3 SER 32 HB3 SER 32 -9.848 1.029 -6.112 254 HG SER 32 HG SER 32 -11.309 2.813 -6.150 255 H GLY 33 H GLY 33 -11.446 1.373 -2.332 256 HA2 GLY 33 HA2 GLY 33 -13.221 -0.744 -2.931 257 HA3 GLY 33 HA3 GLY 33 -12.070 -1.363 -1.743 258 H1' ALL 101 H1 ALL 34 11.925 1.978 -0.562 259 H2' ALL 101 H2 ALL 34 13.550 4.166 -1.974 260 H3' ALL 101 H3 ALL 34 11.444 4.748 -3.111 261 H4' ALL 101 H4 ALL 34 12.892 3.172 -4.269 262 H5' ALL 101 H5 ALL 34 11.414 0.930 -2.816 263 H6'1 ALL 101 H62 ALL 34 12.328 0.364 -5.133 264 H6'2 ALL 101 H61 ALL 34 12.995 -0.599 -3.799 265 HO'2 ALL 101 H2O ALL 34 11.459 4.344 -0.016 266 HO'3 ALL 101 H3O ALL 34 9.731 3.120 -2.917 267 HO'4 ALL 101 H4O ALL 34 11.283 2.323 -5.576 268 HO'6 ALL 101 H6O ALL 34 14.732 0.967 -3.713 Start of MODEL 12 1 H1 LYS 1 H1 LYS 1 -12.033 -3.158 5.288 2 H2 LYS 1 H2 LYS 1 -11.538 -4.671 4.878 3 H3 LYS 1 H3 LYS 1 -12.121 -3.650 3.728 4 HA LYS 1 HA LYS 1 -10.299 -2.175 3.949 5 HB2 LYS 1 HB2 LYS 1 -9.352 -4.094 6.104 6 HB3 LYS 1 HB3 LYS 1 -8.293 -2.947 5.271 7 HG2 LYS 1 HG2 LYS 1 -9.730 -1.056 6.018 8 HG3 LYS 1 HG3 LYS 1 -10.767 -2.197 6.885 9 HD2 LYS 1 HD2 LYS 1 -9.266 -1.169 8.461 10 HD3 LYS 1 HD3 LYS 1 -8.830 -2.875 8.298 11 HE2 LYS 1 HE2 LYS 1 -6.964 -2.248 6.766 12 HE3 LYS 1 HE3 LYS 1 -7.432 -0.547 6.894 13 HZ1 LYS 1 HZ1 LYS 1 -6.515 -2.234 9.161 14 HZ2 LYS 1 HZ2 LYS 1 -5.624 -1.085 8.419 15 HZ3 LYS 1 HZ3 LYS 1 -6.944 -0.661 9.278 16 H LEU 2 H LEU 2 -9.186 -2.304 2.222 17 HA LEU 2 HA LEU 2 -8.185 -2.905 0.365 18 HB2 LEU 2 HB2 LEU 2 -7.136 -5.215 2.007 19 HB3 LEU 2 HB3 LEU 2 -6.751 -4.998 0.305 20 HG LEU 2 HG LEU 2 -5.731 -2.800 0.767 21 HD11 LEU 2 HD11 LEU 2 -6.106 -3.481 3.706 22 HD12 LEU 2 HD12 LEU 2 -5.017 -2.230 3.049 23 HD13 LEU 2 HD13 LEU 2 -6.765 -2.068 2.840 24 HD21 LEU 2 HD21 LEU 2 -3.725 -3.762 1.923 25 HD22 LEU 2 HD22 LEU 2 -4.689 -5.186 2.344 26 HD23 LEU 2 HD23 LEU 2 -4.362 -4.799 0.640 27 HA PRO 3 HA PRO 3 -10.964 -5.659 -1.830 28 HB2 PRO 3 HB2 PRO 3 -9.983 -5.424 -4.371 29 HB3 PRO 3 HB3 PRO 3 -10.850 -4.105 -3.529 30 HG2 PRO 3 HG2 PRO 3 -7.890 -4.456 -3.928 31 HG3 PRO 3 HG3 PRO 3 -8.854 -2.962 -4.011 32 HD2 PRO 3 HD2 PRO 3 -7.364 -3.860 -1.785 33 HD3 PRO 3 HD3 PRO 3 -8.685 -2.654 -1.722 34 HA PRO 4 HA PRO 4 -9.321 -9.673 -1.954 35 HB2 PRO 4 HB2 PRO 4 -10.162 -10.005 -4.840 36 HB3 PRO 4 HB3 PRO 4 -10.409 -11.121 -3.457 37 HG2 PRO 4 HG2 PRO 4 -12.431 -9.518 -4.251 38 HG3 PRO 4 HG3 PRO 4 -12.067 -9.670 -2.498 39 HD2 PRO 4 HD2 PRO 4 -11.257 -7.461 -4.406 40 HD3 PRO 4 HD3 PRO 4 -11.929 -7.339 -2.749 41 H GLY 5 H GLY 5 -7.435 -10.707 -2.167 42 HA2 GLY 5 HA2 GLY 5 -5.413 -11.445 -3.026 43 HA3 GLY 5 HA3 GLY 5 -5.650 -10.453 -4.476 44 H TRP 6 H TRP 6 -6.044 -7.977 -2.652 45 HA TRP 6 HA TRP 6 -3.232 -7.221 -2.591 46 HB2 TRP 6 HB2 TRP 6 -5.751 -5.718 -1.874 47 HB3 TRP 6 HB3 TRP 6 -4.121 -5.044 -1.778 48 HD1 TRP 6 HD1 TRP 6 -6.625 -6.329 -4.364 49 HE1 TRP 6 HE1 TRP 6 -6.136 -5.255 -6.644 50 HE3 TRP 6 HE3 TRP 6 -2.163 -4.063 -3.260 51 HZ2 TRP 6 HZ2 TRP 6 -3.918 -3.966 -7.922 52 HZ3 TRP 6 HZ3 TRP 6 -0.890 -2.889 -5.049 53 HH2 TRP 6 HH2 TRP 6 -1.725 -2.875 -7.384 54 H GLU 7 H GLU 7 -1.884 -6.881 -0.937 55 HA GLU 7 HA GLU 7 -2.793 -6.728 1.850 56 HB2 GLU 7 HB2 GLU 7 -2.617 -9.105 1.618 57 HB3 GLU 7 HB3 GLU 7 -1.113 -8.983 0.727 58 HG2 GLU 7 HG2 GLU 7 -0.755 -9.920 2.907 59 HG3 GLU 7 HG3 GLU 7 0.124 -8.418 2.714 60 H LYS 8 H LYS 8 -1.163 -5.936 3.298 61 HA LYS 8 HA LYS 8 0.577 -3.929 2.233 62 HB2 LYS 8 HB2 LYS 8 0.221 -5.116 4.986 63 HB3 LYS 8 HB3 LYS 8 1.588 -4.047 4.644 64 HG2 LYS 8 HG2 LYS 8 0.055 -2.300 3.796 65 HG3 LYS 8 HG3 LYS 8 -1.327 -3.346 4.147 66 HD2 LYS 8 HD2 LYS 8 -1.138 -1.736 5.919 67 HD3 LYS 8 HD3 LYS 8 -0.663 -3.309 6.579 68 HE2 LYS 8 HE2 LYS 8 1.740 -2.685 6.301 69 HE3 LYS 8 HE3 LYS 8 1.257 -1.135 5.607 70 HZ1 LYS 8 HZ1 LYS 8 0.635 -2.029 8.371 71 HZ2 LYS 8 HZ2 LYS 8 1.775 -0.934 7.969 72 HZ3 LYS 8 HZ3 LYS 8 0.198 -0.589 7.731 73 H ARG 9 H ARG 9 2.674 -3.651 2.054 74 HA ARG 9 HA ARG 9 4.605 -5.877 2.324 75 HB2 ARG 9 HB2 ARG 9 3.307 -5.625 -0.047 76 HB3 ARG 9 HB3 ARG 9 4.453 -4.331 -0.285 77 HG2 ARG 9 HG2 ARG 9 5.126 -6.468 -1.299 78 HG3 ARG 9 HG3 ARG 9 6.324 -5.903 -0.121 79 HD2 ARG 9 HD2 ARG 9 5.810 -8.397 -0.113 80 HD3 ARG 9 HD3 ARG 9 5.772 -7.570 1.448 81 HE ARG 9 HE ARG 9 3.331 -7.555 1.384 82 HH11 ARG 9 HH11 ARG 9 4.791 -9.938 -0.751 83 HH12 ARG 9 HH12 ARG 9 3.374 -10.952 -0.682 84 HH21 ARG 9 HH21 ARG 9 1.613 -8.811 1.360 85 HH22 ARG 9 HH22 ARG 9 1.600 -10.316 0.471 86 H MET 10 H MET 10 6.892 -5.075 1.927 87 HA MET 10 HA MET 10 7.273 -2.184 2.224 88 HB2 MET 10 HB2 MET 10 6.678 -3.023 4.532 89 HB3 MET 10 HB3 MET 10 8.136 -4.037 4.476 90 HG2 MET 10 HG2 MET 10 9.488 -1.917 4.154 91 HG3 MET 10 HG3 MET 10 7.991 -1.003 4.312 92 HE1 MET 10 HE1 MET 10 9.580 -4.094 6.332 93 HE2 MET 10 HE2 MET 10 10.862 -2.900 6.026 94 HE3 MET 10 HE3 MET 10 10.280 -3.179 7.682 95 H PHE 11 H PHE 11 9.147 -1.490 1.531 96 HA PHE 11 HA PHE 11 11.117 -3.236 0.333 97 HB2 PHE 11 HB2 PHE 11 10.881 -0.244 0.646 98 HB3 PHE 11 HB3 PHE 11 12.274 -1.014 -0.118 99 HD1 PHE 11 HD1 PHE 11 9.007 0.323 -0.733 100 HD2 PHE 11 HD2 PHE 11 11.806 -2.690 -2.067 101 HE1 PHE 11 HE1 PHE 11 7.858 0.210 -2.922 102 HE2 PHE 11 HE2 PHE 11 10.646 -2.785 -4.262 103 HZ PHE 11 HZ PHE 11 8.674 -1.329 -4.693 104 H ALA 12 H ALA 12 13.428 -3.197 0.690 105 HA ALA 12 HA ALA 12 14.172 -3.751 3.372 106 HB1 ALA 12 HB1 ALA 12 16.448 -3.892 2.426 107 HB2 ALA 12 HB2 ALA 12 15.268 -4.685 1.366 108 HB3 ALA 12 HB3 ALA 12 15.901 -3.074 0.948 109 H ASN 13 H ASN 13 14.102 -0.686 1.706 110 HA ASN 13 HA ASN 13 15.780 0.745 3.642 111 HB2 ASN 13 HB2 ASN 13 15.184 2.727 2.300 112 HB3 ASN 13 HB3 ASN 13 15.799 1.397 1.308 113 HD21 ASN 13 HD21 ASN 13 14.828 2.441 -0.519 114 H GLY 14 H GLY 14 12.677 -0.466 3.958 115 HA2 GLY 14 HA2 GLY 14 11.252 -0.156 5.770 116 HA3 GLY 14 HA3 GLY 14 12.025 1.388 6.163 117 H THR 15 H THR 15 10.955 0.941 2.849 118 HA THR 15 HA THR 15 8.775 2.932 3.248 119 HB THR 15 HB THR 15 9.911 1.782 0.681 120 HG1 THR 15 HG1 THR 15 11.423 2.937 1.649 121 HG21 THR 15 HG21 THR 15 7.925 4.012 1.216 122 HG22 THR 15 HG22 THR 15 8.847 3.881 -0.294 123 HG23 THR 15 HG23 THR 15 7.749 2.574 0.168 124 H VAL 16 H VAL 16 6.671 2.387 3.307 125 HA VAL 16 HA VAL 16 5.892 -0.447 2.886 126 HB VAL 16 HB VAL 16 4.521 1.919 4.210 127 HG11 VAL 16 HG11 VAL 16 2.728 0.527 3.277 128 HG12 VAL 16 HG12 VAL 16 3.477 -0.935 3.962 129 HG13 VAL 16 HG13 VAL 16 2.812 0.328 5.022 130 HG21 VAL 16 HG21 VAL 16 5.601 -0.703 5.336 131 HG22 VAL 16 HG22 VAL 16 6.379 0.889 5.502 132 HG23 VAL 16 HG23 VAL 16 4.811 0.585 6.264 133 H TYR 17 H TYR 17 4.355 -1.126 1.513 134 HA TYR 17 HA TYR 17 2.791 0.659 -0.210 135 HB2 TYR 17 HB2 TYR 17 3.654 -0.173 -2.288 136 HB3 TYR 17 HB3 TYR 17 4.978 0.492 -1.384 137 HD1 TYR 17 HD1 TYR 17 6.615 -1.115 -0.196 138 HD2 TYR 17 HD2 TYR 17 3.737 -2.392 -3.152 139 HE1 TYR 17 HE1 TYR 17 8.015 -3.111 -0.722 140 HE2 TYR 17 HE2 TYR 17 5.138 -4.372 -3.668 141 HH TYR 17 HH TYR 17 7.125 -5.432 -3.280 142 H TYR 18 H TYR 18 1.733 -1.110 -1.928 143 HA TYR 18 HA TYR 18 0.634 -3.362 -0.293 144 HB2 TYR 18 HB2 TYR 18 -0.899 -1.479 -2.127 145 HB3 TYR 18 HB3 TYR 18 -1.567 -2.821 -1.184 146 HD1 TYR 18 HD1 TYR 18 -0.097 0.585 -1.003 147 HD2 TYR 18 HD2 TYR 18 -2.026 -2.575 1.218 148 HE1 TYR 18 HE1 TYR 18 -0.250 2.072 0.977 149 HE2 TYR 18 HE2 TYR 18 -2.201 -1.072 3.187 150 HH TYR 18 HH TYR 18 -0.857 2.243 3.169 151 H PHE 19 H PHE 19 0.243 -5.237 -1.365 152 HA PHE 19 HA PHE 19 1.110 -5.487 -4.221 153 HB2 PHE 19 HB2 PHE 19 3.027 -5.844 -2.772 154 HB3 PHE 19 HB3 PHE 19 2.117 -7.030 -1.818 155 HD1 PHE 19 HD1 PHE 19 3.390 -6.290 -5.233 156 HD2 PHE 19 HD2 PHE 19 2.008 -9.354 -2.533 157 HE1 PHE 19 HE1 PHE 19 4.034 -8.007 -6.872 158 HE2 PHE 19 HE2 PHE 19 2.731 -11.094 -4.151 159 HZ PHE 19 HZ PHE 19 3.745 -10.435 -6.324 160 H ASN 20 H ASN 20 -0.004 -6.892 -5.441 161 HA ASN 20 HA ASN 20 -2.234 -8.386 -4.184 162 HB2 ASN 20 HB2 ASN 20 -2.580 -6.823 -6.117 163 HB3 ASN 20 HB3 ASN 20 -1.655 -7.948 -7.129 164 HD21 ASN 20 HD21 ASN 20 -4.693 -7.066 -6.613 165 HD22 ASN 20 HD22 ASN 20 -5.507 -8.615 -6.811 166 H HIS 21 H HIS 21 -1.848 -10.439 -3.570 167 HA HIS 21 HA HIS 21 0.487 -11.890 -4.490 168 HB2 HIS 21 HB2 HIS 21 0.043 -13.383 -2.823 169 HB3 HIS 21 HB3 HIS 21 -0.696 -11.922 -2.171 170 HD2 HIS 21 HD2 HIS 21 -3.286 -12.061 -1.591 171 HE1 HIS 21 HE1 HIS 21 -4.000 -16.054 -2.899 172 HE2 HIS 21 HE2 HIS 21 -4.978 -14.078 -1.628 173 H ILE 22 H ILE 22 -2.773 -11.771 -5.673 174 HA ILE 22 HA ILE 22 -2.730 -14.394 -6.993 175 HB ILE 22 HB ILE 22 -4.728 -12.095 -7.155 176 HG12 ILE 22 HG12 ILE 22 -4.760 -14.566 -5.356 177 HG13 ILE 22 HG13 ILE 22 -4.463 -12.903 -4.820 178 HG21 ILE 22 HG21 ILE 22 -5.029 -15.036 -7.891 179 HG22 ILE 22 HG22 ILE 22 -6.308 -13.800 -7.974 180 HG23 ILE 22 HG23 ILE 22 -4.920 -13.680 -9.037 181 HD11 ILE 22 HD11 ILE 22 -6.765 -12.280 -5.610 182 HD12 ILE 22 HD12 ILE 22 -7.080 -14.020 -5.839 183 HD13 ILE 22 HD13 ILE 22 -6.679 -13.395 -4.231 184 H THR 23 H THR 23 -2.495 -10.969 -7.876 185 HA THR 23 HA THR 23 -2.040 -11.658 -10.729 186 HB THR 23 HB THR 23 -2.983 -9.628 -11.356 187 HG1 THR 23 HG1 THR 23 -3.700 -8.292 -9.416 188 HG21 THR 23 HG21 THR 23 -5.192 -9.583 -10.412 189 HG22 THR 23 HG22 THR 23 -4.678 -11.275 -10.474 190 HG23 THR 23 HG23 THR 23 -4.662 -10.399 -8.928 191 H ASN 24 H ASN 24 -0.160 -10.683 -8.166 192 HA ASN 24 HA ASN 24 1.857 -9.832 -7.873 193 HB2 ASN 24 HB2 ASN 24 2.353 -10.419 -10.809 194 HB3 ASN 24 HB3 ASN 24 3.589 -10.081 -9.588 195 HD21 ASN 24 HD21 ASN 24 2.114 -12.591 -11.193 196 HD22 ASN 24 HD22 ASN 24 2.447 -13.853 -10.001 197 H ALA 25 H ALA 25 -0.393 -8.011 -8.993 198 HA ALA 25 HA ALA 25 0.981 -5.668 -9.980 199 HB1 ALA 25 HB1 ALA 25 -1.153 -4.548 -9.506 200 HB2 ALA 25 HB2 ALA 25 -1.435 -6.095 -10.327 201 HB3 ALA 25 HB3 ALA 25 -1.711 -5.951 -8.575 202 H SER 26 H SER 26 1.332 -3.674 -8.842 203 HA SER 26 HA SER 26 1.522 -3.767 -5.887 204 HB2 SER 26 HB2 SER 26 3.810 -2.861 -5.926 205 HB3 SER 26 HB3 SER 26 3.708 -4.498 -6.582 206 HG SER 26 HG SER 26 3.815 -2.099 -8.121 207 H GLN 27 H GLN 27 1.359 -1.784 -4.852 208 HA GLN 27 HA GLN 27 1.141 0.709 -6.431 209 HB2 GLN 27 HB2 GLN 27 -1.081 -0.471 -6.554 210 HB3 GLN 27 HB3 GLN 27 -1.181 -0.375 -4.786 211 HG2 GLN 27 HG2 GLN 27 -1.163 2.074 -4.909 212 HG3 GLN 27 HG3 GLN 27 -0.951 2.008 -6.665 213 HE21 GLN 27 HE21 GLN 27 -3.216 1.428 -3.982 214 HE22 GLN 27 HE22 GLN 27 -4.655 1.338 -5.016 215 H PHE 28 H PHE 28 1.465 2.545 -5.236 216 HA PHE 28 HA PHE 28 2.510 2.207 -2.521 217 HB2 PHE 28 HB2 PHE 28 2.556 4.512 -4.440 218 HB3 PHE 28 HB3 PHE 28 3.010 4.689 -2.742 219 HD1 PHE 28 HD1 PHE 28 4.073 3.404 -5.993 220 HD2 PHE 28 HD2 PHE 28 4.925 3.409 -1.764 221 HE1 PHE 28 HE1 PHE 28 6.373 2.584 -6.454 222 HE2 PHE 28 HE2 PHE 28 7.227 2.598 -2.231 223 HZ PHE 28 HZ PHE 28 7.954 2.185 -4.577 224 H GLU 29 H GLU 29 -0.374 3.691 -3.852 225 HA GLU 29 HA GLU 29 -1.288 4.683 -1.247 226 HB2 GLU 29 HB2 GLU 29 -1.842 6.012 -3.144 227 HB3 GLU 29 HB3 GLU 29 -2.396 4.619 -4.057 228 HG2 GLU 29 HG2 GLU 29 -4.247 5.992 -3.477 229 HG3 GLU 29 HG3 GLU 29 -4.403 4.426 -2.706 230 H ARG 30 H ARG 30 -3.024 3.859 -0.055 231 HA ARG 30 HA ARG 30 -3.240 0.998 0.052 232 HB2 ARG 30 HB2 ARG 30 -3.534 2.760 1.931 233 HB3 ARG 30 HB3 ARG 30 -5.181 2.940 1.349 234 HG2 ARG 30 HG2 ARG 30 -4.728 0.106 1.640 235 HG3 ARG 30 HG3 ARG 30 -3.969 0.893 3.030 236 HD2 ARG 30 HD2 ARG 30 -6.057 0.502 3.838 237 HD3 ARG 30 HD3 ARG 30 -6.221 2.176 3.287 238 HE ARG 30 HE ARG 30 -6.984 0.444 1.136 239 HH11 ARG 30 HH11 ARG 30 -8.253 1.277 4.316 240 HH12 ARG 30 HH12 ARG 30 -9.840 0.677 3.899 241 HH21 ARG 30 HH21 ARG 30 -8.921 -0.293 0.739 242 HH22 ARG 30 HH22 ARG 30 -10.203 -0.303 1.963 243 HA PRO 31 HA PRO 31 -6.306 0.860 -3.245 244 HB2 PRO 31 HB2 PRO 31 -6.752 -1.843 -3.359 245 HB3 PRO 31 HB3 PRO 31 -5.306 -1.048 -4.044 246 HG2 PRO 31 HG2 PRO 31 -5.602 -2.484 -1.411 247 HG3 PRO 31 HG3 PRO 31 -4.241 -2.560 -2.571 248 HD2 PRO 31 HD2 PRO 31 -4.194 -1.017 -0.311 249 HD3 PRO 31 HD3 PRO 31 -3.351 -0.535 -1.807 250 H SER 32 H SER 32 -8.537 0.820 -3.433 251 HA SER 32 HA SER 32 -10.004 1.168 -1.013 252 HB2 SER 32 HB2 SER 32 -10.945 1.034 -3.899 253 HB3 SER 32 HB3 SER 32 -11.933 1.564 -2.524 254 HG SER 32 HG SER 32 -10.935 3.321 -3.598 255 H GLY 33 H GLY 33 -11.317 -0.086 0.143 256 HA2 GLY 33 HA2 GLY 33 -13.104 -2.055 -0.417 257 HA3 GLY 33 HA3 GLY 33 -11.587 -2.955 -0.418 258 H1' ALL 101 H1 ALL 34 11.910 1.870 -0.748 259 H2' ALL 101 H2 ALL 34 13.567 3.999 -2.210 260 H3' ALL 101 H3 ALL 34 11.473 4.583 -3.364 261 H4' ALL 101 H4 ALL 34 12.901 2.960 -4.480 262 H5' ALL 101 H5 ALL 34 11.389 0.775 -2.980 263 H6'1 ALL 101 H62 ALL 34 12.305 0.142 -5.280 264 H6'2 ALL 101 H61 ALL 34 12.948 -0.800 -3.921 265 HO'2 ALL 101 H2O ALL 34 11.473 4.255 -0.263 266 HO'3 ALL 101 H3O ALL 34 9.739 2.980 -3.133 267 HO'4 ALL 101 H4O ALL 34 11.282 2.098 -5.769 268 HO'6 ALL 101 H6O ALL 34 14.711 0.740 -3.861 Start of MODEL 13 1 H1 LYS 1 H1 LYS 1 -11.727 -5.513 5.351 2 H2 LYS 1 H2 LYS 1 -11.153 -6.061 3.923 3 H3 LYS 1 H3 LYS 1 -11.797 -4.557 4.032 4 HA LYS 1 HA LYS 1 -10.065 -3.822 5.498 5 HB2 LYS 1 HB2 LYS 1 -9.731 -6.219 6.354 6 HB3 LYS 1 HB3 LYS 1 -8.622 -6.462 5.019 7 HG2 LYS 1 HG2 LYS 1 -8.398 -4.221 7.087 8 HG3 LYS 1 HG3 LYS 1 -7.680 -5.799 7.314 9 HD2 LYS 1 HD2 LYS 1 -6.927 -3.809 5.138 10 HD3 LYS 1 HD3 LYS 1 -6.028 -4.135 6.603 11 HE2 LYS 1 HE2 LYS 1 -6.514 -6.153 4.365 12 HE3 LYS 1 HE3 LYS 1 -5.036 -5.226 4.632 13 HZ1 LYS 1 HZ1 LYS 1 -6.126 -7.221 6.534 14 HZ2 LYS 1 HZ2 LYS 1 -4.843 -7.442 5.545 15 HZ3 LYS 1 HZ3 LYS 1 -4.758 -6.346 6.755 16 H LEU 2 H LEU 2 -8.960 -6.002 2.839 17 HA LEU 2 HA LEU 2 -8.448 -3.623 1.130 18 HB2 LEU 2 HB2 LEU 2 -6.619 -5.953 1.767 19 HB3 LEU 2 HB3 LEU 2 -6.492 -5.142 0.210 20 HG LEU 2 HG LEU 2 -6.258 -3.618 2.823 21 HD11 LEU 2 HD11 LEU 2 -4.484 -5.373 2.628 22 HD12 LEU 2 HD12 LEU 2 -4.019 -4.689 1.060 23 HD13 LEU 2 HD13 LEU 2 -3.843 -3.723 2.545 24 HD21 LEU 2 HD21 LEU 2 -5.132 -1.949 1.422 25 HD22 LEU 2 HD22 LEU 2 -5.327 -2.983 -0.014 26 HD23 LEU 2 HD23 LEU 2 -6.741 -2.264 0.765 27 HA PRO 3 HA PRO 3 -10.712 -5.856 -1.947 28 HB2 PRO 3 HB2 PRO 3 -8.738 -5.274 -4.088 29 HB3 PRO 3 HB3 PRO 3 -10.441 -4.759 -3.947 30 HG2 PRO 3 HG2 PRO 3 -8.319 -3.045 -3.578 31 HG3 PRO 3 HG3 PRO 3 -9.879 -2.879 -2.699 32 HD2 PRO 3 HD2 PRO 3 -7.286 -4.071 -1.722 33 HD3 PRO 3 HD3 PRO 3 -8.451 -3.004 -0.879 34 HA PRO 4 HA PRO 4 -9.427 -9.961 -2.519 35 HB2 PRO 4 HB2 PRO 4 -9.865 -9.769 -5.509 36 HB3 PRO 4 HB3 PRO 4 -10.388 -11.052 -4.370 37 HG2 PRO 4 HG2 PRO 4 -12.148 -9.155 -5.139 38 HG3 PRO 4 HG3 PRO 4 -12.048 -9.608 -3.403 39 HD2 PRO 4 HD2 PRO 4 -10.815 -7.220 -4.801 40 HD3 PRO 4 HD3 PRO 4 -11.692 -7.294 -3.240 41 H GLY 5 H GLY 5 -7.471 -10.737 -2.277 42 HA2 GLY 5 HA2 GLY 5 -5.363 -11.536 -2.795 43 HA3 GLY 5 HA3 GLY 5 -5.423 -10.714 -4.363 44 H TRP 6 H TRP 6 -6.059 -8.105 -2.610 45 HA TRP 6 HA TRP 6 -3.279 -7.228 -2.540 46 HB2 TRP 6 HB2 TRP 6 -5.871 -5.868 -1.836 47 HB3 TRP 6 HB3 TRP 6 -4.291 -5.110 -1.623 48 HD1 TRP 6 HD1 TRP 6 -6.768 -6.131 -4.296 49 HE1 TRP 6 HE1 TRP 6 -6.160 -5.040 -6.544 50 HE3 TRP 6 HE3 TRP 6 -2.148 -4.316 -3.073 51 HZ2 TRP 6 HZ2 TRP 6 -3.896 -3.677 -7.696 52 HZ3 TRP 6 HZ3 TRP 6 -0.778 -3.123 -4.779 53 HH2 TRP 6 HH2 TRP 6 -1.629 -2.819 -7.086 54 H GLU 7 H GLU 7 -1.907 -7.022 -0.913 55 HA GLU 7 HA GLU 7 -2.843 -6.696 1.845 56 HB2 GLU 7 HB2 GLU 7 -1.393 -9.122 0.893 57 HB3 GLU 7 HB3 GLU 7 -0.686 -8.362 2.303 58 HG2 GLU 7 HG2 GLU 7 -3.555 -9.332 2.064 59 HG3 GLU 7 HG3 GLU 7 -2.250 -10.099 2.957 60 H LYS 8 H LYS 8 -1.095 -6.037 3.330 61 HA LYS 8 HA LYS 8 0.546 -3.934 2.166 62 HB2 LYS 8 HB2 LYS 8 0.274 -5.041 4.967 63 HB3 LYS 8 HB3 LYS 8 1.567 -3.904 4.547 64 HG2 LYS 8 HG2 LYS 8 -0.067 -2.271 3.707 65 HG3 LYS 8 HG3 LYS 8 -1.386 -3.394 4.052 66 HD2 LYS 8 HD2 LYS 8 -1.347 -1.792 5.822 67 HD3 LYS 8 HD3 LYS 8 -0.720 -3.303 6.500 68 HE2 LYS 8 HE2 LYS 8 1.620 -2.439 6.166 69 HE3 LYS 8 HE3 LYS 8 0.950 -0.945 5.499 70 HZ1 LYS 8 HZ1 LYS 8 0.492 -1.926 8.267 71 HZ2 LYS 8 HZ2 LYS 8 1.495 -0.706 7.855 72 HZ3 LYS 8 HZ3 LYS 8 -0.116 -0.539 7.651 73 H ARG 9 H ARG 9 2.635 -3.690 1.970 74 HA ARG 9 HA ARG 9 4.527 -5.981 2.117 75 HB2 ARG 9 HB2 ARG 9 3.160 -5.523 -0.202 76 HB3 ARG 9 HB3 ARG 9 4.404 -4.311 -0.398 77 HG2 ARG 9 HG2 ARG 9 5.068 -6.309 -1.539 78 HG3 ARG 9 HG3 ARG 9 6.136 -6.159 -0.127 79 HD2 ARG 9 HD2 ARG 9 4.891 -7.878 1.062 80 HD3 ARG 9 HD3 ARG 9 3.603 -7.850 -0.166 81 HE ARG 9 HE ARG 9 6.229 -8.527 -1.249 82 HH11 ARG 9 HH11 ARG 9 3.697 -11.509 -0.453 83 HH12 ARG 9 HH12 ARG 9 3.423 -9.956 0.294 84 HH21 ARG 9 HH21 ARG 9 6.510 -10.526 -2.164 85 HH22 ARG 9 HH22 ARG 9 5.400 -11.817 -1.796 86 H MET 10 H MET 10 6.829 -5.212 1.773 87 HA MET 10 HA MET 10 7.267 -2.355 2.370 88 HB2 MET 10 HB2 MET 10 6.541 -3.345 4.505 89 HB3 MET 10 HB3 MET 10 7.854 -4.536 4.408 90 HG2 MET 10 HG2 MET 10 9.519 -2.760 4.609 91 HG3 MET 10 HG3 MET 10 8.254 -1.522 4.516 92 HE1 MET 10 HE1 MET 10 9.439 -1.175 8.228 93 HE2 MET 10 HE2 MET 10 10.456 -1.573 6.827 94 HE3 MET 10 HE3 MET 10 9.168 -0.349 6.678 95 H PHE 11 H PHE 11 9.103 -1.618 1.713 96 HA PHE 11 HA PHE 11 11.116 -3.296 0.459 97 HB2 PHE 11 HB2 PHE 11 10.777 -0.307 0.743 98 HB3 PHE 11 HB3 PHE 11 12.161 -1.052 -0.061 99 HD1 PHE 11 HD1 PHE 11 8.987 0.364 -0.666 100 HD2 PHE 11 HD2 PHE 11 11.543 -2.888 -1.918 101 HE1 PHE 11 HE1 PHE 11 7.827 0.287 -2.849 102 HE2 PHE 11 HE2 PHE 11 10.350 -2.976 -4.094 103 HZ PHE 11 HZ PHE 11 8.499 -1.382 -4.567 104 H ALA 12 H ALA 12 13.386 -3.235 0.812 105 HA ALA 12 HA ALA 12 14.185 -3.599 3.513 106 HB1 ALA 12 HB1 ALA 12 15.230 -4.686 1.558 107 HB2 ALA 12 HB2 ALA 12 15.857 -3.114 1.005 108 HB3 ALA 12 HB3 ALA 12 16.437 -3.822 2.528 109 H ASN 13 H ASN 13 14.067 -0.653 1.638 110 HA ASN 13 HA ASN 13 15.836 0.877 3.406 111 HB2 ASN 13 HB2 ASN 13 15.223 2.784 1.983 112 HB3 ASN 13 HB3 ASN 13 15.768 1.387 1.045 113 HD21 ASN 13 HD21 ASN 13 14.779 2.377 -0.773 114 H GLY 14 H GLY 14 12.789 -0.294 3.992 115 HA2 GLY 14 HA2 GLY 14 11.573 0.142 5.941 116 HA3 GLY 14 HA3 GLY 14 12.267 1.764 6.063 117 H THR 15 H THR 15 11.020 1.031 2.920 118 HA THR 15 HA THR 15 8.744 2.886 3.354 119 HB THR 15 HB THR 15 9.853 1.753 0.776 120 HG1 THR 15 HG1 THR 15 11.377 2.939 1.545 121 HG21 THR 15 HG21 THR 15 8.726 3.741 -0.245 122 HG22 THR 15 HG22 THR 15 7.616 2.514 0.370 123 HG23 THR 15 HG23 THR 15 7.890 4.013 1.302 124 H VAL 16 H VAL 16 6.666 2.280 3.464 125 HA VAL 16 HA VAL 16 5.914 -0.565 2.978 126 HB VAL 16 HB VAL 16 4.541 1.740 4.406 127 HG11 VAL 16 HG11 VAL 16 3.481 -1.092 4.004 128 HG12 VAL 16 HG12 VAL 16 2.819 0.120 5.125 129 HG13 VAL 16 HG13 VAL 16 2.745 0.409 3.391 130 HG21 VAL 16 HG21 VAL 16 6.380 0.634 5.656 131 HG22 VAL 16 HG22 VAL 16 4.804 0.287 6.387 132 HG23 VAL 16 HG23 VAL 16 5.605 -0.945 5.393 133 H TYR 17 H TYR 17 4.371 -1.180 1.568 134 HA TYR 17 HA TYR 17 2.810 0.684 -0.068 135 HB2 TYR 17 HB2 TYR 17 3.629 -0.089 -2.190 136 HB3 TYR 17 HB3 TYR 17 4.968 0.551 -1.295 137 HD1 TYR 17 HD1 TYR 17 6.537 -1.187 -0.061 138 HD2 TYR 17 HD2 TYR 17 3.803 -2.182 -3.255 139 HE1 TYR 17 HE1 TYR 17 7.898 -3.198 -0.620 140 HE2 TYR 17 HE2 TYR 17 5.155 -4.191 -3.789 141 HH TYR 17 HH TYR 17 7.088 -5.336 -3.355 142 H TYR 18 H TYR 18 1.807 -1.097 -1.887 143 HA TYR 18 HA TYR 18 0.693 -3.365 -0.304 144 HB2 TYR 18 HB2 TYR 18 -0.813 -1.493 -2.166 145 HB3 TYR 18 HB3 TYR 18 -1.477 -2.896 -1.316 146 HD1 TYR 18 HD1 TYR 18 -0.162 0.548 -0.905 147 HD2 TYR 18 HD2 TYR 18 -2.046 -2.804 1.051 148 HE1 TYR 18 HE1 TYR 18 -0.571 1.958 1.093 149 HE2 TYR 18 HE2 TYR 18 -2.525 -1.364 3.035 150 HH TYR 18 HH TYR 18 -1.417 2.025 3.221 151 H PHE 19 H PHE 19 0.237 -5.223 -1.401 152 HA PHE 19 HA PHE 19 1.087 -5.494 -4.249 153 HB2 PHE 19 HB2 PHE 19 3.063 -5.864 -2.912 154 HB3 PHE 19 HB3 PHE 19 2.193 -7.014 -1.881 155 HD1 PHE 19 HD1 PHE 19 3.219 -6.379 -5.396 156 HD2 PHE 19 HD2 PHE 19 2.126 -9.367 -2.483 157 HE1 PHE 19 HE1 PHE 19 3.770 -8.137 -7.015 158 HE2 PHE 19 HE2 PHE 19 2.755 -11.148 -4.090 159 HZ PHE 19 HZ PHE 19 3.574 -10.555 -6.364 160 H ASN 20 H ASN 20 -0.070 -6.910 -5.428 161 HA ASN 20 HA ASN 20 -2.222 -8.418 -4.053 162 HB2 ASN 20 HB2 ASN 20 -2.712 -6.843 -5.965 163 HB3 ASN 20 HB3 ASN 20 -1.883 -7.994 -7.031 164 HD21 ASN 20 HD21 ASN 20 -5.695 -8.683 -5.995 165 HD22 ASN 20 HD22 ASN 20 -4.880 -7.125 -5.915 166 H HIS 21 H HIS 21 -1.815 -10.475 -3.508 167 HA HIS 21 HA HIS 21 0.493 -11.883 -4.552 168 HB2 HIS 21 HB2 HIS 21 0.155 -13.391 -2.875 169 HB3 HIS 21 HB3 HIS 21 -0.582 -11.948 -2.181 170 HD2 HIS 21 HD2 HIS 21 -3.155 -12.123 -1.516 171 HE1 HIS 21 HE1 HIS 21 -3.841 -16.133 -2.784 172 HE2 HIS 21 HE2 HIS 21 -4.810 -14.170 -1.484 173 H ILE 22 H ILE 22 -2.820 -11.798 -5.583 174 HA ILE 22 HA ILE 22 -2.783 -14.400 -6.951 175 HB ILE 22 HB ILE 22 -4.835 -12.143 -6.957 176 HG12 ILE 22 HG12 ILE 22 -4.722 -14.680 -5.252 177 HG13 ILE 22 HG13 ILE 22 -4.448 -13.028 -4.670 178 HG21 ILE 22 HG21 ILE 22 -5.085 -13.660 -8.887 179 HG22 ILE 22 HG22 ILE 22 -5.107 -15.061 -7.790 180 HG23 ILE 22 HG23 ILE 22 -6.416 -13.855 -7.764 181 HD11 ILE 22 HD11 ILE 22 -7.074 -14.200 -5.598 182 HD12 ILE 22 HD12 ILE 22 -6.618 -13.592 -3.997 183 HD13 ILE 22 HD13 ILE 22 -6.806 -12.456 -5.348 184 H THR 23 H THR 23 -2.672 -10.953 -7.773 185 HA THR 23 HA THR 23 -2.343 -11.573 -10.657 186 HB THR 23 HB THR 23 -3.320 -9.522 -11.181 187 HG1 THR 23 HG1 THR 23 -3.969 -8.263 -9.171 188 HG21 THR 23 HG21 THR 23 -5.487 -9.539 -10.144 189 HG22 THR 23 HG22 THR 23 -4.957 -11.223 -10.283 190 HG23 THR 23 HG23 THR 23 -4.885 -10.396 -8.710 191 H ASN 24 H ASN 24 -0.336 -10.665 -8.172 192 HA ASN 24 HA ASN 24 1.704 -9.837 -7.965 193 HB2 ASN 24 HB2 ASN 24 2.026 -10.386 -10.933 194 HB3 ASN 24 HB3 ASN 24 3.336 -10.070 -9.786 195 HD21 ASN 24 HD21 ASN 24 1.760 -12.556 -11.324 196 HD22 ASN 24 HD22 ASN 24 2.149 -13.828 -10.162 197 H ALA 25 H ALA 25 -0.569 -7.963 -8.907 198 HA ALA 25 HA ALA 25 0.774 -5.628 -9.958 199 HB1 ALA 25 HB1 ALA 25 -1.322 -4.494 -9.356 200 HB2 ALA 25 HB2 ALA 25 -1.662 -6.033 -10.174 201 HB3 ALA 25 HB3 ALA 25 -1.839 -5.906 -8.410 202 H SER 26 H SER 26 1.323 -3.691 -8.841 203 HA SER 26 HA SER 26 1.540 -3.766 -5.887 204 HB2 SER 26 HB2 SER 26 3.844 -2.873 -5.972 205 HB3 SER 26 HB3 SER 26 3.706 -4.536 -6.538 206 HG SER 26 HG SER 26 3.842 -2.221 -8.201 207 H GLN 27 H GLN 27 1.437 -1.766 -4.863 208 HA GLN 27 HA GLN 27 1.361 0.737 -6.391 209 HB2 GLN 27 HB2 GLN 27 -0.863 -0.184 -6.855 210 HB3 GLN 27 HB3 GLN 27 -1.133 -0.470 -5.136 211 HG2 GLN 27 HG2 GLN 27 -2.375 1.471 -5.921 212 HG3 GLN 27 HG3 GLN 27 -1.202 1.913 -4.692 213 HE21 GLN 27 HE21 GLN 27 -1.538 1.804 -8.305 214 HE22 GLN 27 HE22 GLN 27 -0.487 3.202 -8.552 215 H PHE 28 H PHE 28 1.552 2.549 -5.085 216 HA PHE 28 HA PHE 28 2.377 2.019 -2.298 217 HB2 PHE 28 HB2 PHE 28 4.049 3.119 -3.422 218 HB3 PHE 28 HB3 PHE 28 2.932 4.259 -4.183 219 HD1 PHE 28 HD1 PHE 28 2.200 6.289 -3.074 220 HD2 PHE 28 HD2 PHE 28 4.660 3.403 -1.015 221 HE1 PHE 28 HE1 PHE 28 2.640 7.943 -1.271 222 HE2 PHE 28 HE2 PHE 28 5.095 5.053 0.783 223 HZ PHE 28 HZ PHE 28 4.087 7.330 0.659 224 H GLU 29 H GLU 29 -0.099 3.920 -3.921 225 HA GLU 29 HA GLU 29 -1.222 4.981 -1.463 226 HB2 GLU 29 HB2 GLU 29 -1.543 6.177 -3.523 227 HB3 GLU 29 HB3 GLU 29 -2.176 4.749 -4.327 228 HG2 GLU 29 HG2 GLU 29 -3.948 6.277 -3.965 229 HG3 GLU 29 HG3 GLU 29 -4.232 4.844 -2.996 230 H ARG 30 H ARG 30 -2.973 4.269 -0.270 231 HA ARG 30 HA ARG 30 -3.299 1.464 0.028 232 HB2 ARG 30 HB2 ARG 30 -3.449 2.977 1.848 233 HB3 ARG 30 HB3 ARG 30 -4.847 3.795 1.178 234 HG2 ARG 30 HG2 ARG 30 -5.039 0.815 1.676 235 HG3 ARG 30 HG3 ARG 30 -5.001 1.894 3.078 236 HD2 ARG 30 HD2 ARG 30 -7.131 2.520 2.827 237 HD3 ARG 30 HD3 ARG 30 -6.879 2.960 1.146 238 HE ARG 30 HE ARG 30 -7.710 0.933 0.419 239 HH11 ARG 30 HH11 ARG 30 -7.357 0.589 3.913 240 HH12 ARG 30 HH12 ARG 30 -8.351 -0.858 3.890 241 HH21 ARG 30 HH21 ARG 30 -8.936 -0.783 0.533 242 HH22 ARG 30 HH22 ARG 30 -9.217 -1.593 2.085 243 HA PRO 31 HA PRO 31 -5.937 0.856 -3.492 244 HB2 PRO 31 HB2 PRO 31 -6.380 -1.843 -2.202 245 HB3 PRO 31 HB3 PRO 31 -6.067 -1.458 -3.923 246 HG2 PRO 31 HG2 PRO 31 -4.060 -2.332 -2.342 247 HG3 PRO 31 HG3 PRO 31 -3.771 -0.949 -3.453 248 HD2 PRO 31 HD2 PRO 31 -4.329 -0.892 -0.479 249 HD3 PRO 31 HD3 PRO 31 -3.152 0.030 -1.442 250 H SER 32 H SER 32 -7.943 1.539 -3.867 251 HA SER 32 HA SER 32 -10.101 2.164 -3.614 252 HB2 SER 32 HB2 SER 32 -10.344 -0.672 -2.580 253 HB3 SER 32 HB3 SER 32 -11.689 0.341 -3.134 254 HG SER 32 HG SER 32 -10.946 -0.977 -4.814 255 H GLY 33 H GLY 33 -8.669 3.245 -1.513 256 HA2 GLY 33 HA2 GLY 33 -10.852 3.902 0.315 257 HA3 GLY 33 HA3 GLY 33 -9.532 3.052 1.112 258 H1' ALL 101 H1 ALL 34 11.847 1.860 -0.940 259 H2' ALL 101 H2 ALL 34 13.613 3.749 -2.601 260 H3' ALL 101 H3 ALL 34 11.612 4.249 -3.919 261 H4' ALL 101 H4 ALL 34 12.942 2.415 -4.790 262 H5' ALL 101 H5 ALL 34 11.320 0.510 -3.054 263 H6'1 ALL 101 H62 ALL 34 12.312 -0.377 -5.274 264 H6'2 ALL 101 H61 ALL 34 12.791 -1.225 -3.791 265 HO'2 ALL 101 H2O ALL 34 12.806 4.587 -0.547 266 HO'3 ALL 101 H3O ALL 34 10.141 3.785 -2.142 267 HO'4 ALL 101 H4O ALL 34 10.134 2.062 -4.705 268 HO'6 ALL 101 H6O ALL 34 14.632 0.248 -3.738 Start of MODEL 14 1 H1 LYS 1 H1 LYS 1 -10.286 -6.290 4.818 2 H2 LYS 1 H2 LYS 1 -11.211 -4.941 4.939 3 H3 LYS 1 H3 LYS 1 -10.667 -5.684 6.288 4 HA LYS 1 HA LYS 1 -9.425 -3.693 5.915 5 HB2 LYS 1 HB2 LYS 1 -8.314 -5.681 6.965 6 HB3 LYS 1 HB3 LYS 1 -7.680 -6.130 5.380 7 HG2 LYS 1 HG2 LYS 1 -6.536 -3.840 5.293 8 HG3 LYS 1 HG3 LYS 1 -7.138 -3.555 6.927 9 HD2 LYS 1 HD2 LYS 1 -4.898 -4.262 7.184 10 HD3 LYS 1 HD3 LYS 1 -5.876 -5.665 7.645 11 HE2 LYS 1 HE2 LYS 1 -5.523 -6.618 5.345 12 HE3 LYS 1 HE3 LYS 1 -4.564 -5.190 4.925 13 HZ1 LYS 1 HZ1 LYS 1 -3.013 -5.833 6.721 14 HZ2 LYS 1 HZ2 LYS 1 -3.862 -7.208 6.981 15 HZ3 LYS 1 HZ3 LYS 1 -3.103 -6.963 5.546 16 H LEU 2 H LEU 2 -8.505 -5.956 3.263 17 HA LEU 2 HA LEU 2 -8.265 -3.639 1.399 18 HB2 LEU 2 HB2 LEU 2 -6.450 -6.009 1.943 19 HB3 LEU 2 HB3 LEU 2 -6.410 -5.208 0.379 20 HG LEU 2 HG LEU 2 -6.013 -3.622 2.930 21 HD11 LEU 2 HD11 LEU 2 -4.314 -5.450 2.808 22 HD12 LEU 2 HD12 LEU 2 -3.859 -4.880 1.190 23 HD13 LEU 2 HD13 LEU 2 -3.609 -3.833 2.606 24 HD21 LEU 2 HD21 LEU 2 -5.089 -3.181 0.052 25 HD22 LEU 2 HD22 LEU 2 -6.491 -2.389 0.782 26 HD23 LEU 2 HD23 LEU 2 -4.868 -2.072 1.422 27 HA PRO 3 HA PRO 3 -10.743 -5.978 -1.475 28 HB2 PRO 3 HB2 PRO 3 -8.935 -5.353 -3.746 29 HB3 PRO 3 HB3 PRO 3 -10.633 -4.862 -3.484 30 HG2 PRO 3 HG2 PRO 3 -8.536 -3.106 -3.275 31 HG3 PRO 3 HG3 PRO 3 -10.009 -2.983 -2.249 32 HD2 PRO 3 HD2 PRO 3 -7.333 -4.204 -1.545 33 HD3 PRO 3 HD3 PRO 3 -8.358 -3.087 -0.597 34 HA PRO 4 HA PRO 4 -9.310 -10.039 -2.226 35 HB2 PRO 4 HB2 PRO 4 -9.915 -9.781 -5.180 36 HB3 PRO 4 HB3 PRO 4 -10.321 -11.118 -4.058 37 HG2 PRO 4 HG2 PRO 4 -12.203 -9.286 -4.682 38 HG3 PRO 4 HG3 PRO 4 -11.995 -9.783 -2.967 39 HD2 PRO 4 HD2 PRO 4 -10.940 -7.302 -4.350 40 HD3 PRO 4 HD3 PRO 4 -11.739 -7.457 -2.753 41 H GLY 5 H GLY 5 -7.354 -10.863 -2.231 42 HA2 GLY 5 HA2 GLY 5 -5.253 -11.526 -2.911 43 HA3 GLY 5 HA3 GLY 5 -5.421 -10.572 -4.394 44 H TRP 6 H TRP 6 -6.008 -8.101 -2.524 45 HA TRP 6 HA TRP 6 -3.248 -7.201 -2.463 46 HB2 TRP 6 HB2 TRP 6 -5.829 -5.901 -1.627 47 HB3 TRP 6 HB3 TRP 6 -4.248 -5.119 -1.488 48 HD1 TRP 6 HD1 TRP 6 -6.879 -6.126 -4.005 49 HE1 TRP 6 HE1 TRP 6 -6.398 -5.073 -6.296 50 HE3 TRP 6 HE3 TRP 6 -2.169 -4.344 -3.089 51 HZ2 TRP 6 HZ2 TRP 6 -4.155 -3.882 -7.635 52 HZ3 TRP 6 HZ3 TRP 6 -0.874 -3.245 -4.912 53 HH2 TRP 6 HH2 TRP 6 -1.839 -3.032 -7.185 54 H GLU 7 H GLU 7 -1.852 -6.945 -0.857 55 HA GLU 7 HA GLU 7 -2.666 -6.899 1.963 56 HB2 GLU 7 HB2 GLU 7 -2.421 -9.258 1.635 57 HB3 GLU 7 HB3 GLU 7 -0.932 -9.051 0.732 58 HG2 GLU 7 HG2 GLU 7 -0.540 -10.044 2.895 59 HG3 GLU 7 HG3 GLU 7 0.309 -8.524 2.716 60 H LYS 8 H LYS 8 -0.990 -6.092 3.376 61 HA LYS 8 HA LYS 8 0.656 -4.015 2.210 62 HB2 LYS 8 HB2 LYS 8 0.392 -5.136 5.008 63 HB3 LYS 8 HB3 LYS 8 1.676 -3.989 4.600 64 HG2 LYS 8 HG2 LYS 8 0.049 -2.347 3.797 65 HG3 LYS 8 HG3 LYS 8 -1.274 -3.480 4.088 66 HD2 LYS 8 HD2 LYS 8 -1.228 -1.880 5.890 67 HD3 LYS 8 HD3 LYS 8 -0.720 -3.448 6.536 68 HE2 LYS 8 HE2 LYS 8 1.666 -2.730 6.370 69 HE3 LYS 8 HE3 LYS 8 1.150 -1.180 5.696 70 HZ1 LYS 8 HZ1 LYS 8 0.457 -2.171 8.410 71 HZ2 LYS 8 HZ2 LYS 8 1.565 -1.020 8.082 72 HZ3 LYS 8 HZ3 LYS 8 -0.015 -0.734 7.789 73 H ARG 9 H ARG 9 2.741 -3.737 1.994 74 HA ARG 9 HA ARG 9 4.686 -5.977 2.211 75 HB2 ARG 9 HB2 ARG 9 3.399 -5.869 -0.064 76 HB3 ARG 9 HB3 ARG 9 4.265 -4.370 -0.347 77 HG2 ARG 9 HG2 ARG 9 5.374 -6.126 -1.514 78 HG3 ARG 9 HG3 ARG 9 6.433 -5.674 -0.165 79 HD2 ARG 9 HD2 ARG 9 5.581 -7.645 1.114 80 HD3 ARG 9 HD3 ARG 9 4.546 -8.081 -0.258 81 HE ARG 9 HE ARG 9 7.443 -8.460 0.021 82 HH11 ARG 9 HH11 ARG 9 4.871 -8.359 -2.372 83 HH12 ARG 9 HH12 ARG 9 5.806 -9.259 -3.529 84 HH21 ARG 9 HH21 ARG 9 8.564 -9.590 -1.508 85 HH22 ARG 9 HH22 ARG 9 7.833 -9.929 -3.053 86 H MET 10 H MET 10 6.970 -5.150 1.819 87 HA MET 10 HA MET 10 7.344 -2.266 2.260 88 HB2 MET 10 HB2 MET 10 6.760 -3.226 4.505 89 HB3 MET 10 HB3 MET 10 8.176 -4.287 4.371 90 HG2 MET 10 HG2 MET 10 9.561 -2.135 4.119 91 HG3 MET 10 HG3 MET 10 8.116 -1.257 4.602 92 HE1 MET 10 HE1 MET 10 7.656 -2.463 8.336 93 HE2 MET 10 HE2 MET 10 7.149 -1.270 7.127 94 HE3 MET 10 HE3 MET 10 6.804 -2.999 6.875 95 H PHE 11 H PHE 11 9.206 -1.529 1.577 96 HA PHE 11 HA PHE 11 11.197 -3.193 0.293 97 HB2 PHE 11 HB2 PHE 11 10.914 -0.224 0.739 98 HB3 PHE 11 HB3 PHE 11 12.327 -0.935 -0.047 99 HD1 PHE 11 HD1 PHE 11 9.028 0.359 -0.622 100 HD2 PHE 11 HD2 PHE 11 11.919 -2.507 -2.082 101 HE1 PHE 11 HE1 PHE 11 7.893 0.315 -2.818 102 HE2 PHE 11 HE2 PHE 11 10.778 -2.525 -4.289 103 HZ PHE 11 HZ PHE 11 8.766 -1.107 -4.660 104 H ALA 12 H ALA 12 13.508 -3.137 0.651 105 HA ALA 12 HA ALA 12 14.258 -3.806 3.303 106 HB1 ALA 12 HB1 ALA 12 15.369 -4.624 1.257 107 HB2 ALA 12 HB2 ALA 12 15.979 -2.986 0.920 108 HB3 ALA 12 HB3 ALA 12 16.536 -3.870 2.357 109 H ASN 13 H ASN 13 14.131 -0.660 1.805 110 HA ASN 13 HA ASN 13 15.801 0.693 3.805 111 HB2 ASN 13 HB2 ASN 13 15.175 2.731 2.567 112 HB3 ASN 13 HB3 ASN 13 15.798 1.462 1.501 113 HD21 ASN 13 HD21 ASN 13 14.787 2.692 -0.215 114 H GLY 14 H GLY 14 12.708 -0.568 4.057 115 HA2 GLY 14 HA2 GLY 14 11.269 -0.355 5.874 116 HA3 GLY 14 HA3 GLY 14 12.025 1.176 6.343 117 H THR 15 H THR 15 10.964 0.840 3.006 118 HA THR 15 HA THR 15 8.779 2.813 3.469 119 HB THR 15 HB THR 15 9.903 1.747 0.863 120 HG1 THR 15 HG1 THR 15 11.417 2.861 1.902 121 HG21 THR 15 HG21 THR 15 7.752 2.565 0.376 122 HG22 THR 15 HG22 THR 15 7.928 3.963 1.477 123 HG23 THR 15 HG23 THR 15 8.849 3.886 -0.037 124 H VAL 16 H VAL 16 6.671 2.273 3.482 125 HA VAL 16 HA VAL 16 5.883 -0.541 2.951 126 HB VAL 16 HB VAL 16 4.493 1.776 4.342 127 HG11 VAL 16 HG11 VAL 16 2.718 0.403 3.350 128 HG12 VAL 16 HG12 VAL 16 3.477 -1.078 3.983 129 HG13 VAL 16 HG13 VAL 16 2.792 0.137 5.086 130 HG21 VAL 16 HG21 VAL 16 4.773 0.370 6.352 131 HG22 VAL 16 HG22 VAL 16 5.583 -0.874 5.379 132 HG23 VAL 16 HG23 VAL 16 6.345 0.717 5.617 133 H TYR 17 H TYR 17 4.357 -1.165 1.539 134 HA TYR 17 HA TYR 17 2.761 0.688 -0.070 135 HB2 TYR 17 HB2 TYR 17 3.588 -0.037 -2.208 136 HB3 TYR 17 HB3 TYR 17 4.916 0.616 -1.297 137 HD1 TYR 17 HD1 TYR 17 6.594 -1.012 -0.188 138 HD2 TYR 17 HD2 TYR 17 3.715 -2.205 -3.175 139 HE1 TYR 17 HE1 TYR 17 8.029 -2.944 -0.807 140 HE2 TYR 17 HE2 TYR 17 5.142 -4.157 -3.767 141 HH TYR 17 HH TYR 17 8.358 -4.642 -2.292 142 H TYR 18 H TYR 18 1.629 -0.953 -1.839 143 HA TYR 18 HA TYR 18 0.601 -3.295 -0.281 144 HB2 TYR 18 HB2 TYR 18 -0.910 -1.495 -2.206 145 HB3 TYR 18 HB3 TYR 18 -1.561 -2.857 -1.280 146 HD1 TYR 18 HD1 TYR 18 -0.606 0.672 -1.188 147 HD2 TYR 18 HD2 TYR 18 -1.752 -2.718 1.222 148 HE1 TYR 18 HE1 TYR 18 -1.031 2.192 0.734 149 HE2 TYR 18 HE2 TYR 18 -2.168 -1.201 3.154 150 HH TYR 18 HH TYR 18 -1.978 0.925 3.955 151 H PHE 19 H PHE 19 0.299 -5.189 -1.325 152 HA PHE 19 HA PHE 19 1.126 -5.452 -4.184 153 HB2 PHE 19 HB2 PHE 19 3.089 -5.838 -2.853 154 HB3 PHE 19 HB3 PHE 19 2.208 -6.965 -1.805 155 HD1 PHE 19 HD1 PHE 19 3.251 -6.389 -5.321 156 HD2 PHE 19 HD2 PHE 19 2.075 -9.325 -2.389 157 HE1 PHE 19 HE1 PHE 19 3.753 -8.169 -6.929 158 HE2 PHE 19 HE2 PHE 19 2.666 -11.134 -3.981 159 HZ PHE 19 HZ PHE 19 3.496 -10.577 -6.261 160 H ASN 20 H ASN 20 -0.006 -6.859 -5.397 161 HA ASN 20 HA ASN 20 -2.201 -8.355 -4.068 162 HB2 ASN 20 HB2 ASN 20 -2.650 -6.730 -5.940 163 HB3 ASN 20 HB3 ASN 20 -1.813 -7.851 -7.030 164 HD21 ASN 20 HD21 ASN 20 -4.815 -6.956 -6.167 165 HD22 ASN 20 HD22 ASN 20 -5.651 -8.496 -6.283 166 H HIS 21 H HIS 21 -1.787 -10.418 -3.538 167 HA HIS 21 HA HIS 21 0.491 -11.841 -4.627 168 HB2 HIS 21 HB2 HIS 21 0.159 -13.355 -2.961 169 HB3 HIS 21 HB3 HIS 21 -0.578 -11.925 -2.244 170 HD2 HIS 21 HD2 HIS 21 -3.135 -12.129 -1.547 171 HE1 HIS 21 HE1 HIS 21 -3.829 -16.109 -2.901 172 HE2 HIS 21 HE2 HIS 21 -4.785 -14.180 -1.544 173 H ILE 22 H ILE 22 -2.837 -11.708 -5.613 174 HA ILE 22 HA ILE 22 -2.841 -14.289 -7.021 175 HB ILE 22 HB ILE 22 -4.860 -12.003 -6.955 176 HG12 ILE 22 HG12 ILE 22 -4.770 -14.607 -5.348 177 HG13 ILE 22 HG13 ILE 22 -4.460 -12.986 -4.707 178 HG21 ILE 22 HG21 ILE 22 -5.158 -13.440 -8.936 179 HG22 ILE 22 HG22 ILE 22 -5.184 -14.884 -7.896 180 HG23 ILE 22 HG23 ILE 22 -6.478 -13.664 -7.804 181 HD11 ILE 22 HD11 ILE 22 -7.118 -14.077 -5.645 182 HD12 ILE 22 HD12 ILE 22 -6.632 -13.535 -4.028 183 HD13 ILE 22 HD13 ILE 22 -6.818 -12.347 -5.336 184 H THR 23 H THR 23 -2.693 -10.835 -7.797 185 HA THR 23 HA THR 23 -2.395 -11.418 -10.688 186 HB THR 23 HB THR 23 -3.321 -9.351 -11.186 187 HG1 THR 23 HG1 THR 23 -3.884 -8.109 -9.099 188 HG21 THR 23 HG21 THR 23 -4.864 -10.150 -8.675 189 HG22 THR 23 HG22 THR 23 -5.462 -9.271 -10.095 190 HG23 THR 23 HG23 THR 23 -5.008 -10.975 -10.244 191 H ASN 24 H ASN 24 -0.348 -10.597 -8.202 192 HA ASN 24 HA ASN 24 1.715 -9.834 -7.990 193 HB2 ASN 24 HB2 ASN 24 2.014 -10.388 -10.959 194 HB3 ASN 24 HB3 ASN 24 3.337 -10.084 -9.824 195 HD21 ASN 24 HD21 ASN 24 1.674 -12.554 -11.317 196 HD22 ASN 24 HD22 ASN 24 2.065 -13.825 -10.153 197 H ALA 25 H ALA 25 -0.511 -7.892 -8.960 198 HA ALA 25 HA ALA 25 0.922 -5.587 -9.958 199 HB1 ALA 25 HB1 ALA 25 -1.517 -5.910 -10.232 200 HB2 ALA 25 HB2 ALA 25 -1.731 -5.802 -8.470 201 HB3 ALA 25 HB3 ALA 25 -1.150 -4.395 -9.384 202 H SER 26 H SER 26 1.471 -3.664 -8.809 203 HA SER 26 HA SER 26 1.560 -3.757 -5.859 204 HB2 SER 26 HB2 SER 26 3.859 -2.953 -5.749 205 HB3 SER 26 HB3 SER 26 3.758 -4.577 -6.433 206 HG SER 26 HG SER 26 4.092 -3.737 -8.467 207 H GLN 27 H GLN 27 1.444 -1.743 -4.853 208 HA GLN 27 HA GLN 27 1.397 0.735 -6.431 209 HB2 GLN 27 HB2 GLN 27 -0.775 -0.231 -6.965 210 HB3 GLN 27 HB3 GLN 27 -1.101 -0.530 -5.261 211 HG2 GLN 27 HG2 GLN 27 -2.423 1.304 -6.029 212 HG3 GLN 27 HG3 GLN 27 -1.266 1.876 -4.847 213 HE21 GLN 27 HE21 GLN 27 -2.687 2.766 -7.712 214 HE22 GLN 27 HE22 GLN 27 -1.393 3.808 -8.314 215 H PHE 28 H PHE 28 1.504 2.581 -5.224 216 HA PHE 28 HA PHE 28 2.240 2.286 -2.370 217 HB2 PHE 28 HB2 PHE 28 2.523 4.573 -4.329 218 HB3 PHE 28 HB3 PHE 28 2.880 4.712 -2.605 219 HD1 PHE 28 HD1 PHE 28 4.784 3.493 -1.559 220 HD2 PHE 28 HD2 PHE 28 4.046 3.377 -5.811 221 HE1 PHE 28 HE1 PHE 28 7.106 2.703 -1.949 222 HE2 PHE 28 HE2 PHE 28 6.368 2.581 -6.191 223 HZ PHE 28 HZ PHE 28 7.903 2.257 -4.262 224 H GLU 29 H GLU 29 -0.269 3.910 -4.228 225 HA GLU 29 HA GLU 29 -1.596 5.123 -1.940 226 HB2 GLU 29 HB2 GLU 29 -2.602 4.446 -4.736 227 HB3 GLU 29 HB3 GLU 29 -3.493 5.380 -3.521 228 HG2 GLU 29 HG2 GLU 29 -1.615 7.039 -3.467 229 HG3 GLU 29 HG3 GLU 29 -0.831 6.158 -4.783 230 H ARG 30 H ARG 30 -3.544 4.458 -0.933 231 HA ARG 30 HA ARG 30 -3.671 1.702 -0.238 232 HB2 ARG 30 HB2 ARG 30 -4.809 4.146 0.662 233 HB3 ARG 30 HB3 ARG 30 -6.183 3.118 0.302 234 HG2 ARG 30 HG2 ARG 30 -3.912 2.622 2.234 235 HG3 ARG 30 HG3 ARG 30 -5.613 2.907 2.616 236 HD2 ARG 30 HD2 ARG 30 -4.451 0.417 1.305 237 HD3 ARG 30 HD3 ARG 30 -4.978 0.577 2.964 238 HE ARG 30 HE ARG 30 -6.806 0.732 0.569 239 HH11 ARG 30 HH11 ARG 30 -8.659 -0.333 0.641 240 HH12 ARG 30 HH12 ARG 30 -9.152 -1.180 2.108 241 HH21 ARG 30 HH21 ARG 30 -6.408 -0.310 3.922 242 HH22 ARG 30 HH22 ARG 30 -7.889 -1.251 3.819 243 HA PRO 31 HA PRO 31 -6.171 0.260 -3.753 244 HB2 PRO 31 HB2 PRO 31 -6.317 -2.169 -1.972 245 HB3 PRO 31 HB3 PRO 31 -6.049 -2.091 -3.743 246 HG2 PRO 31 HG2 PRO 31 -3.960 -2.499 -2.087 247 HG3 PRO 31 HG3 PRO 31 -3.797 -1.302 -3.418 248 HD2 PRO 31 HD2 PRO 31 -4.438 -0.793 -0.498 249 HD3 PRO 31 HD3 PRO 31 -3.254 0.025 -1.553 250 H SER 32 H SER 32 -8.396 -0.346 -4.122 251 HA SER 32 HA SER 32 -10.331 -0.547 -1.950 252 HB2 SER 32 HB2 SER 32 -10.134 1.984 -3.614 253 HB3 SER 32 HB3 SER 32 -11.656 1.466 -2.866 254 HG SER 32 HG SER 32 -9.282 1.592 -1.356 255 H GLY 33 H GLY 33 -12.454 -1.055 -2.650 256 HA2 GLY 33 HA2 GLY 33 -13.356 -1.329 -5.335 257 HA3 GLY 33 HA3 GLY 33 -12.632 -2.863 -4.845 258 H1' ALL 101 H1 ALL 34 11.889 2.045 -0.508 259 H2' ALL 101 H2 ALL 34 13.555 4.257 -1.827 260 H3' ALL 101 H3 ALL 34 11.568 4.855 -3.103 261 H4' ALL 101 H4 ALL 34 13.026 3.249 -4.193 262 H5' ALL 101 H5 ALL 34 11.434 1.044 -2.813 263 H6'1 ALL 101 H62 ALL 34 12.307 0.356 -5.029 264 H6'2 ALL 101 H61 ALL 34 13.124 -0.498 -3.707 265 HO'2 ALL 101 H2O ALL 34 11.540 4.296 0.185 266 HO'3 ALL 101 H3O ALL 34 9.922 4.185 -1.721 267 HO'4 ALL 101 H4O ALL 34 10.239 2.787 -4.275 268 HO'6 ALL 101 H6O ALL 34 14.628 0.292 -5.254 Start of MODEL 15 1 H1 LYS 1 H1 LYS 1 -10.747 -5.457 6.313 2 H2 LYS 1 H2 LYS 1 -10.541 -6.102 4.823 3 H3 LYS 1 H3 LYS 1 -11.281 -4.651 4.997 4 HA LYS 1 HA LYS 1 -9.322 -3.622 5.822 5 HB2 LYS 1 HB2 LYS 1 -7.122 -4.817 5.642 6 HB3 LYS 1 HB3 LYS 1 -8.165 -5.233 6.990 7 HG2 LYS 1 HG2 LYS 1 -8.808 -7.338 5.988 8 HG3 LYS 1 HG3 LYS 1 -7.952 -6.972 4.488 9 HD2 LYS 1 HD2 LYS 1 -6.568 -7.203 7.191 10 HD3 LYS 1 HD3 LYS 1 -6.789 -8.555 6.072 11 HE2 LYS 1 HE2 LYS 1 -5.553 -7.331 4.308 12 HE3 LYS 1 HE3 LYS 1 -5.285 -5.979 5.419 13 HZ1 LYS 1 HZ1 LYS 1 -3.989 -7.439 6.827 14 HZ2 LYS 1 HZ2 LYS 1 -4.326 -8.746 5.901 15 HZ3 LYS 1 HZ3 LYS 1 -3.396 -7.552 5.300 16 H LEU 2 H LEU 2 -8.659 -5.943 3.137 17 HA LEU 2 HA LEU 2 -8.229 -3.603 1.342 18 HB2 LEU 2 HB2 LEU 2 -6.518 -6.062 1.840 19 HB3 LEU 2 HB3 LEU 2 -6.340 -5.082 0.387 20 HG LEU 2 HG LEU 2 -6.038 -3.892 3.169 21 HD11 LEU 2 HD11 LEU 2 -4.353 -5.668 2.817 22 HD12 LEU 2 HD12 LEU 2 -3.880 -4.909 1.280 23 HD13 LEU 2 HD13 LEU 2 -3.618 -4.056 2.819 24 HD21 LEU 2 HD21 LEU 2 -6.462 -2.260 1.343 25 HD22 LEU 2 HD22 LEU 2 -4.800 -2.137 1.923 26 HD23 LEU 2 HD23 LEU 2 -5.146 -2.979 0.395 27 HA PRO 3 HA PRO 3 -10.679 -5.739 -1.657 28 HB2 PRO 3 HB2 PRO 3 -8.836 -5.072 -3.882 29 HB3 PRO 3 HB3 PRO 3 -10.509 -4.522 -3.595 30 HG2 PRO 3 HG2 PRO 3 -8.324 -2.880 -3.296 31 HG3 PRO 3 HG3 PRO 3 -9.804 -2.721 -2.288 32 HD2 PRO 3 HD2 PRO 3 -7.202 -4.090 -1.595 33 HD3 PRO 3 HD3 PRO 3 -8.204 -2.978 -0.618 34 HA PRO 4 HA PRO 4 -9.458 -9.807 -2.523 35 HB2 PRO 4 HB2 PRO 4 -9.906 -9.426 -5.493 36 HB3 PRO 4 HB3 PRO 4 -10.431 -10.777 -4.436 37 HG2 PRO 4 HG2 PRO 4 -12.184 -8.825 -5.065 38 HG3 PRO 4 HG3 PRO 4 -12.071 -9.385 -3.362 39 HD2 PRO 4 HD2 PRO 4 -10.836 -6.922 -4.621 40 HD3 PRO 4 HD3 PRO 4 -11.695 -7.088 -3.058 41 H GLY 5 H GLY 5 -7.528 -10.632 -2.336 42 HA2 GLY 5 HA2 GLY 5 -5.450 -11.456 -2.901 43 HA3 GLY 5 HA3 GLY 5 -5.493 -10.552 -4.424 44 H TRP 6 H TRP 6 -6.035 -8.020 -2.536 45 HA TRP 6 HA TRP 6 -3.244 -7.216 -2.505 46 HB2 TRP 6 HB2 TRP 6 -5.768 -5.843 -1.609 47 HB3 TRP 6 HB3 TRP 6 -4.162 -5.113 -1.484 48 HD1 TRP 6 HD1 TRP 6 -6.850 -6.007 -3.982 49 HE1 TRP 6 HE1 TRP 6 -6.363 -4.944 -6.268 50 HE3 TRP 6 HE3 TRP 6 -2.084 -4.375 -3.095 51 HZ2 TRP 6 HZ2 TRP 6 -4.097 -3.817 -7.618 52 HZ3 TRP 6 HZ3 TRP 6 -0.777 -3.287 -4.917 53 HH2 TRP 6 HH2 TRP 6 -1.753 -3.035 -7.182 54 H GLU 7 H GLU 7 -1.815 -7.008 -0.918 55 HA GLU 7 HA GLU 7 -2.610 -6.957 1.908 56 HB2 GLU 7 HB2 GLU 7 -2.383 -9.318 1.569 57 HB3 GLU 7 HB3 GLU 7 -0.895 -9.116 0.662 58 HG2 GLU 7 HG2 GLU 7 -0.477 -10.106 2.813 59 HG3 GLU 7 HG3 GLU 7 0.345 -8.568 2.656 60 H LYS 8 H LYS 8 -0.992 -6.127 3.308 61 HA LYS 8 HA LYS 8 0.675 -4.069 2.192 62 HB2 LYS 8 HB2 LYS 8 0.364 -5.186 4.981 63 HB3 LYS 8 HB3 LYS 8 1.658 -4.040 4.597 64 HG2 LYS 8 HG2 LYS 8 0.017 -2.427 3.696 65 HG3 LYS 8 HG3 LYS 8 -1.292 -3.555 4.057 66 HD2 LYS 8 HD2 LYS 8 -1.260 -1.911 5.795 67 HD3 LYS 8 HD3 LYS 8 -0.645 -3.413 6.504 68 HE2 LYS 8 HE2 LYS 8 1.695 -2.570 6.192 69 HE3 LYS 8 HE3 LYS 8 1.054 -1.089 5.471 70 HZ1 LYS 8 HZ1 LYS 8 0.541 -1.986 8.257 71 HZ2 LYS 8 HZ2 LYS 8 1.561 -0.788 7.826 72 HZ3 LYS 8 HZ3 LYS 8 -0.044 -0.612 7.591 73 H ARG 9 H ARG 9 2.764 -3.734 2.030 74 HA ARG 9 HA ARG 9 4.741 -5.917 2.331 75 HB2 ARG 9 HB2 ARG 9 3.444 -5.722 -0.046 76 HB3 ARG 9 HB3 ARG 9 4.563 -4.407 -0.297 77 HG2 ARG 9 HG2 ARG 9 5.291 -6.539 -1.279 78 HG3 ARG 9 HG3 ARG 9 6.467 -5.939 -0.097 79 HD2 ARG 9 HD2 ARG 9 6.019 -8.437 -0.052 80 HD3 ARG 9 HD3 ARG 9 5.910 -7.594 1.495 81 HE ARG 9 HE ARG 9 3.494 -7.690 1.413 82 HH11 ARG 9 HH11 ARG 9 1.794 -8.987 1.289 83 HH12 ARG 9 HH12 ARG 9 1.826 -10.428 0.303 84 HH21 ARG 9 HH21 ARG 9 5.007 -9.892 -0.877 85 HH22 ARG 9 HH22 ARG 9 3.613 -10.938 -0.886 86 H MET 10 H MET 10 7.015 -5.086 1.960 87 HA MET 10 HA MET 10 7.345 -2.200 2.102 88 HB2 MET 10 HB2 MET 10 8.449 -2.125 4.289 89 HB3 MET 10 HB3 MET 10 6.741 -2.576 4.399 90 HG2 MET 10 HG2 MET 10 7.391 -4.959 4.665 91 HG3 MET 10 HG3 MET 10 9.089 -4.503 4.543 92 HE1 MET 10 HE1 MET 10 5.860 -4.546 6.712 93 HE2 MET 10 HE2 MET 10 6.312 -3.598 8.145 94 HE3 MET 10 HE3 MET 10 6.060 -2.782 6.590 95 H PHE 11 H PHE 11 9.240 -1.426 1.641 96 HA PHE 11 HA PHE 11 11.298 -3.111 0.468 97 HB2 PHE 11 HB2 PHE 11 10.949 -0.124 0.766 98 HB3 PHE 11 HB3 PHE 11 12.376 -0.860 0.025 99 HD1 PHE 11 HD1 PHE 11 9.045 0.343 -0.614 100 HD2 PHE 11 HD2 PHE 11 12.012 -2.505 -1.948 101 HE1 PHE 11 HE1 PHE 11 7.914 0.172 -2.810 102 HE2 PHE 11 HE2 PHE 11 10.872 -2.651 -4.152 103 HZ PHE 11 HZ PHE 11 8.825 -1.304 -4.585 104 H ALA 12 H ALA 12 13.570 -3.023 0.935 105 HA ALA 12 HA ALA 12 14.220 -3.466 3.664 106 HB1 ALA 12 HB1 ALA 12 16.529 -3.621 2.807 107 HB2 ALA 12 HB2 ALA 12 15.395 -4.470 1.740 108 HB3 ALA 12 HB3 ALA 12 16.026 -2.871 1.277 109 H ASN 13 H ASN 13 14.150 -0.466 1.887 110 HA ASN 13 HA ASN 13 15.783 1.055 3.783 111 HB2 ASN 13 HB2 ASN 13 15.161 2.983 2.388 112 HB3 ASN 13 HB3 ASN 13 15.780 1.633 1.426 113 HD21 ASN 13 HD21 ASN 13 14.788 2.675 -0.399 114 H GLY 14 H GLY 14 12.703 -0.201 4.139 115 HA2 GLY 14 HA2 GLY 14 11.299 0.132 5.972 116 HA3 GLY 14 HA3 GLY 14 12.028 1.717 6.291 117 H THR 15 H THR 15 10.953 1.110 3.011 118 HA THR 15 HA THR 15 8.691 3.017 3.351 119 HB THR 15 HB THR 15 9.868 1.844 0.816 120 HG1 THR 15 HG1 THR 15 11.343 3.072 1.745 121 HG21 THR 15 HG21 THR 15 7.689 2.543 0.277 122 HG22 THR 15 HG22 THR 15 7.797 4.005 1.300 123 HG23 THR 15 HG23 THR 15 8.730 3.888 -0.203 124 H VAL 16 H VAL 16 6.591 2.424 3.322 125 HA VAL 16 HA VAL 16 5.890 -0.443 2.943 126 HB VAL 16 HB VAL 16 4.369 1.906 4.130 127 HG11 VAL 16 HG11 VAL 16 3.496 -1.010 3.939 128 HG12 VAL 16 HG12 VAL 16 2.709 0.248 4.917 129 HG13 VAL 16 HG13 VAL 16 2.703 0.383 3.165 130 HG21 VAL 16 HG21 VAL 16 6.198 1.042 5.563 131 HG22 VAL 16 HG22 VAL 16 4.614 0.650 6.246 132 HG23 VAL 16 HG23 VAL 16 5.544 -0.604 5.404 133 H TYR 17 H TYR 17 4.430 -1.172 1.505 134 HA TYR 17 HA TYR 17 2.870 0.568 -0.260 135 HB2 TYR 17 HB2 TYR 17 3.752 -0.277 -2.323 136 HB3 TYR 17 HB3 TYR 17 5.065 0.412 -1.420 137 HD1 TYR 17 HD1 TYR 17 6.696 -1.174 -0.187 138 HD2 TYR 17 HD2 TYR 17 3.892 -2.493 -3.196 139 HE1 TYR 17 HE1 TYR 17 8.133 -3.152 -0.686 140 HE2 TYR 17 HE2 TYR 17 5.318 -4.461 -3.670 141 HH TYR 17 HH TYR 17 7.313 -5.492 -3.249 142 H TYR 18 H TYR 18 1.870 -1.263 -1.969 143 HA TYR 18 HA TYR 18 0.822 -3.526 -0.318 144 HB2 TYR 18 HB2 TYR 18 -0.748 -1.729 -2.206 145 HB3 TYR 18 HB3 TYR 18 -1.374 -3.098 -1.274 146 HD1 TYR 18 HD1 TYR 18 -1.894 -2.895 1.097 147 HD2 TYR 18 HD2 TYR 18 -0.110 0.385 -1.068 148 HE1 TYR 18 HE1 TYR 18 -2.376 -1.360 3.006 149 HE2 TYR 18 HE2 TYR 18 -0.538 1.897 0.848 150 HH TYR 18 HH TYR 18 -1.372 2.069 2.973 151 H PHE 19 H PHE 19 0.446 -5.415 -1.372 152 HA PHE 19 HA PHE 19 1.205 -5.665 -4.252 153 HB2 PHE 19 HB2 PHE 19 3.176 -6.150 -2.953 154 HB3 PHE 19 HB3 PHE 19 2.270 -7.273 -1.924 155 HD1 PHE 19 HD1 PHE 19 3.317 -6.634 -5.434 156 HD2 PHE 19 HD2 PHE 19 1.985 -9.599 -2.600 157 HE1 PHE 19 HE1 PHE 19 3.718 -8.390 -7.103 158 HE2 PHE 19 HE2 PHE 19 2.471 -11.385 -4.255 159 HZ PHE 19 HZ PHE 19 3.329 -10.797 -6.516 160 H ASN 20 H ASN 20 -0.010 -7.006 -5.458 161 HA ASN 20 HA ASN 20 -2.247 -8.414 -4.107 162 HB2 ASN 20 HB2 ASN 20 -2.648 -6.748 -5.955 163 HB3 ASN 20 HB3 ASN 20 -1.891 -7.900 -7.071 164 HD21 ASN 20 HD21 ASN 20 -4.822 -6.865 -6.120 165 HD22 ASN 20 HD22 ASN 20 -5.741 -8.359 -6.184 166 H HIS 21 H HIS 21 -1.936 -10.503 -3.613 167 HA HIS 21 HA HIS 21 0.251 -12.026 -4.751 168 HB2 HIS 21 HB2 HIS 21 -0.130 -13.539 -3.096 169 HB3 HIS 21 HB3 HIS 21 -0.792 -12.083 -2.353 170 HD2 HIS 21 HD2 HIS 21 -3.347 -12.178 -1.627 171 HE1 HIS 21 HE1 HIS 21 -4.242 -16.105 -3.019 172 HE2 HIS 21 HE2 HIS 21 -5.091 -14.150 -1.628 173 H ILE 22 H ILE 22 -3.080 -11.713 -5.687 174 HA ILE 22 HA ILE 22 -3.227 -14.271 -7.133 175 HB ILE 22 HB ILE 22 -5.137 -11.896 -6.993 176 HG12 ILE 22 HG12 ILE 22 -5.149 -14.536 -5.445 177 HG13 ILE 22 HG13 ILE 22 -4.752 -12.946 -4.772 178 HG21 ILE 22 HG21 ILE 22 -5.608 -14.737 -7.991 179 HG22 ILE 22 HG22 ILE 22 -6.841 -13.461 -7.853 180 HG23 ILE 22 HG23 ILE 22 -5.530 -13.273 -8.999 181 HD11 ILE 22 HD11 ILE 22 -7.470 -13.893 -5.691 182 HD12 ILE 22 HD12 ILE 22 -6.937 -13.398 -4.074 183 HD13 ILE 22 HD13 ILE 22 -7.086 -12.184 -5.362 184 H THR 23 H THR 23 -2.931 -10.814 -7.853 185 HA THR 23 HA THR 23 -2.710 -11.362 -10.758 186 HB THR 23 HB THR 23 -3.557 -9.254 -11.209 187 HG1 THR 23 HG1 THR 23 -4.021 -8.015 -9.094 188 HG21 THR 23 HG21 THR 23 -5.668 -9.091 -10.072 189 HG22 THR 23 HG22 THR 23 -5.294 -10.812 -10.247 190 HG23 THR 23 HG23 THR 23 -5.081 -10.011 -8.674 191 H ASN 24 H ASN 24 -0.582 -10.680 -8.300 192 HA ASN 24 HA ASN 24 1.517 -10.013 -8.117 193 HB2 ASN 24 HB2 ASN 24 1.734 -10.532 -11.099 194 HB3 ASN 24 HB3 ASN 24 3.091 -10.311 -9.985 195 HD21 ASN 24 HD21 ASN 24 1.339 -12.679 -11.507 196 HD22 ASN 24 HD22 ASN 24 1.670 -13.984 -10.362 197 H ALA 25 H ALA 25 -0.631 -7.954 -8.998 198 HA ALA 25 HA ALA 25 0.890 -5.710 -10.008 199 HB1 ALA 25 HB1 ALA 25 -1.561 -5.924 -10.259 200 HB2 ALA 25 HB2 ALA 25 -1.754 -5.819 -8.494 201 HB3 ALA 25 HB3 ALA 25 -1.122 -4.432 -9.405 202 H SER 26 H SER 26 1.547 -3.832 -8.871 203 HA SER 26 HA SER 26 1.703 -3.936 -5.914 204 HB2 SER 26 HB2 SER 26 4.026 -3.098 -5.952 205 HB3 SER 26 HB3 SER 26 3.860 -4.751 -6.543 206 HG SER 26 HG SER 26 4.060 -2.423 -8.179 207 H GLN 27 H GLN 27 1.516 -1.970 -4.891 208 HA GLN 27 HA GLN 27 1.392 0.542 -6.450 209 HB2 GLN 27 HB2 GLN 27 -0.756 -0.409 -6.908 210 HB3 GLN 27 HB3 GLN 27 -1.011 -0.837 -5.207 211 HG2 GLN 27 HG2 GLN 27 -1.209 1.461 -4.569 212 HG3 GLN 27 HG3 GLN 27 -0.786 2.023 -6.193 213 HE21 GLN 27 HE21 GLN 27 -3.345 1.787 -4.194 214 HE22 GLN 27 HE22 GLN 27 -4.620 1.598 -5.416 215 H PHE 28 H PHE 28 1.560 2.380 -5.244 216 HA PHE 28 HA PHE 28 2.481 2.053 -2.477 217 HB2 PHE 28 HB2 PHE 28 2.591 4.356 -4.409 218 HB3 PHE 28 HB3 PHE 28 3.005 4.526 -2.700 219 HD1 PHE 28 HD1 PHE 28 4.115 3.192 -5.929 220 HD2 PHE 28 HD2 PHE 28 4.935 3.325 -1.694 221 HE1 PHE 28 HE1 PHE 28 6.432 2.403 -6.352 222 HE2 PHE 28 HE2 PHE 28 7.255 2.548 -2.125 223 HZ PHE 28 HZ PHE 28 8.007 2.086 -4.455 224 H GLU 29 H GLU 29 -0.291 3.654 -3.961 225 HA GLU 29 HA GLU 29 -1.206 4.769 -1.398 226 HB2 GLU 29 HB2 GLU 29 -2.498 4.681 -4.151 227 HB3 GLU 29 HB3 GLU 29 -3.177 5.486 -2.724 228 HG2 GLU 29 HG2 GLU 29 -1.116 6.896 -2.571 229 HG3 GLU 29 HG3 GLU 29 -0.529 6.170 -4.071 230 H ARG 30 H ARG 30 -3.003 4.142 -0.222 231 HA ARG 30 HA ARG 30 -3.421 1.401 0.178 232 HB2 ARG 30 HB2 ARG 30 -3.678 3.038 1.870 233 HB3 ARG 30 HB3 ARG 30 -5.033 3.805 1.061 234 HG2 ARG 30 HG2 ARG 30 -5.238 0.872 1.802 235 HG3 ARG 30 HG3 ARG 30 -5.322 2.087 3.086 236 HD2 ARG 30 HD2 ARG 30 -7.448 2.571 2.648 237 HD3 ARG 30 HD3 ARG 30 -7.075 2.967 0.980 238 HE ARG 30 HE ARG 30 -7.814 0.888 0.269 239 HH11 ARG 30 HH11 ARG 30 -8.905 -0.932 0.388 240 HH12 ARG 30 HH12 ARG 30 -9.228 -1.689 1.959 241 HH21 ARG 30 HH21 ARG 30 -7.598 0.660 3.787 242 HH22 ARG 30 HH22 ARG 30 -8.457 -0.873 3.757 243 HA PRO 31 HA PRO 31 -5.784 0.624 -3.503 244 HB2 PRO 31 HB2 PRO 31 -6.211 -2.060 -2.181 245 HB3 PRO 31 HB3 PRO 31 -5.796 -1.703 -3.888 246 HG2 PRO 31 HG2 PRO 31 -3.872 -2.459 -2.153 247 HG3 PRO 31 HG3 PRO 31 -3.561 -1.084 -3.267 248 HD2 PRO 31 HD2 PRO 31 -4.349 -1.002 -0.344 249 HD3 PRO 31 HD3 PRO 31 -3.131 -0.052 -1.232 250 H SER 32 H SER 32 -7.803 1.100 -4.111 251 HA SER 32 HA SER 32 -10.023 1.094 -2.151 252 HB2 SER 32 HB2 SER 32 -9.761 2.234 -4.953 253 HB3 SER 32 HB3 SER 32 -11.247 2.288 -3.987 254 HG SER 32 HG SER 32 -8.727 3.333 -3.179 255 H GLY 33 H GLY 33 -12.003 0.097 -2.441 256 HA2 GLY 33 HA2 GLY 33 -12.763 -1.573 -4.661 257 HA3 GLY 33 HA3 GLY 33 -12.103 -2.561 -3.356 258 H1' ALL 101 H1 ALL 34 11.885 2.041 -0.629 259 H2' ALL 101 H2 ALL 34 13.493 4.227 -2.063 260 H3' ALL 101 H3 ALL 34 11.386 4.773 -3.221 261 H4' ALL 101 H4 ALL 34 12.884 3.198 -4.341 262 H5' ALL 101 H5 ALL 34 11.399 0.956 -2.904 263 H6'1 ALL 101 H62 ALL 34 12.396 0.450 -5.232 264 H6'2 ALL 101 H61 ALL 34 12.960 -0.562 -3.888 265 HO'2 ALL 101 H2O ALL 34 11.379 4.405 -0.129 266 HO'3 ALL 101 H3O ALL 34 9.688 3.107 -3.008 267 HO'4 ALL 101 H4O ALL 34 10.912 3.472 -5.387 268 HO'6 ALL 101 H6O ALL 34 14.712 0.999 -3.658 Start of MODEL 16 1 H1 LYS 1 H1 LYS 1 -11.251 -4.745 4.817 2 H2 LYS 1 H2 LYS 1 -10.801 -4.587 6.380 3 H3 LYS 1 H3 LYS 1 -9.790 -5.298 5.310 4 HA LYS 1 HA LYS 1 -10.655 -2.482 5.276 5 HB2 LYS 1 HB2 LYS 1 -9.092 -2.966 7.125 6 HB3 LYS 1 HB3 LYS 1 -7.909 -3.597 5.976 7 HG2 LYS 1 HG2 LYS 1 -7.854 -1.316 4.871 8 HG3 LYS 1 HG3 LYS 1 -8.973 -0.739 6.119 9 HD2 LYS 1 HD2 LYS 1 -7.283 -1.321 7.872 10 HD3 LYS 1 HD3 LYS 1 -6.203 -1.933 6.613 11 HE2 LYS 1 HE2 LYS 1 -5.434 0.248 7.203 12 HE3 LYS 1 HE3 LYS 1 -6.127 0.340 5.582 13 HZ1 LYS 1 HZ1 LYS 1 -6.846 2.192 6.990 14 HZ2 LYS 1 HZ2 LYS 1 -8.147 1.291 6.592 15 HZ3 LYS 1 HZ3 LYS 1 -7.496 1.179 8.088 16 H LEU 2 H LEU 2 -7.874 -4.332 3.917 17 HA LEU 2 HA LEU 2 -7.784 -2.812 1.489 18 HB2 LEU 2 HB2 LEU 2 -6.566 -5.402 2.497 19 HB3 LEU 2 HB3 LEU 2 -6.408 -4.967 0.795 20 HG LEU 2 HG LEU 2 -5.227 -2.917 1.318 21 HD11 LEU 2 HD11 LEU 2 -6.142 -2.273 3.491 22 HD12 LEU 2 HD12 LEU 2 -5.452 -3.735 4.247 23 HD13 LEU 2 HD13 LEU 2 -4.393 -2.460 3.603 24 HD21 LEU 2 HD21 LEU 2 -3.934 -4.944 1.023 25 HD22 LEU 2 HD22 LEU 2 -3.186 -4.003 2.325 26 HD23 LEU 2 HD23 LEU 2 -4.177 -5.410 2.724 27 HA PRO 3 HA PRO 3 -10.764 -4.992 -1.068 28 HB2 PRO 3 HB2 PRO 3 -9.657 -4.760 -3.577 29 HB3 PRO 3 HB3 PRO 3 -10.411 -3.400 -2.689 30 HG2 PRO 3 HG2 PRO 3 -7.470 -4.121 -2.845 31 HG3 PRO 3 HG3 PRO 3 -8.224 -2.521 -3.108 32 HD2 PRO 3 HD2 PRO 3 -7.110 -3.224 -0.731 33 HD3 PRO 3 HD3 PRO 3 -8.593 -2.223 -0.791 34 HA PRO 4 HA PRO 4 -9.629 -9.187 -1.379 35 HB2 PRO 4 HB2 PRO 4 -10.745 -9.286 -4.187 36 HB3 PRO 4 HB3 PRO 4 -11.036 -10.403 -2.816 37 HG2 PRO 4 HG2 PRO 4 -12.871 -8.512 -3.418 38 HG3 PRO 4 HG3 PRO 4 -12.413 -8.783 -1.701 39 HD2 PRO 4 HD2 PRO 4 -11.432 -6.626 -3.592 40 HD3 PRO 4 HD3 PRO 4 -11.977 -6.487 -1.891 41 H GLY 5 H GLY 5 -7.859 -10.371 -1.774 42 HA2 GLY 5 HA2 GLY 5 -6.019 -11.291 -2.818 43 HA3 GLY 5 HA3 GLY 5 -6.387 -10.352 -4.280 44 H TRP 6 H TRP 6 -6.283 -7.880 -2.278 45 HA TRP 6 HA TRP 6 -3.404 -7.355 -2.627 46 HB2 TRP 6 HB2 TRP 6 -5.720 -5.608 -1.773 47 HB3 TRP 6 HB3 TRP 6 -4.034 -5.085 -1.780 48 HD1 TRP 6 HD1 TRP 6 -6.826 -6.077 -4.202 49 HE1 TRP 6 HE1 TRP 6 -6.271 -5.236 -6.565 50 HE3 TRP 6 HE3 TRP 6 -2.024 -4.545 -3.385 51 HZ2 TRP 6 HZ2 TRP 6 -3.982 -4.141 -7.949 52 HZ3 TRP 6 HZ3 TRP 6 -0.642 -3.681 -5.266 53 HH2 TRP 6 HH2 TRP 6 -1.611 -3.458 -7.539 54 H GLU 7 H GLU 7 -1.926 -6.996 -1.066 55 HA GLU 7 HA GLU 7 -2.638 -7.055 1.798 56 HB2 GLU 7 HB2 GLU 7 -2.380 -9.377 1.357 57 HB3 GLU 7 HB3 GLU 7 -0.982 -9.113 0.333 58 HG2 GLU 7 HG2 GLU 7 -0.359 -10.203 2.378 59 HG3 GLU 7 HG3 GLU 7 0.435 -8.652 2.218 60 H LYS 8 H LYS 8 -1.001 -6.219 3.186 61 HA LYS 8 HA LYS 8 0.616 -4.114 2.000 62 HB2 LYS 8 HB2 LYS 8 0.281 -5.131 4.828 63 HB3 LYS 8 HB3 LYS 8 1.550 -3.969 4.414 64 HG2 LYS 8 HG2 LYS 8 -0.091 -2.401 3.491 65 HG3 LYS 8 HG3 LYS 8 -1.392 -3.557 3.788 66 HD2 LYS 8 HD2 LYS 8 -1.459 -1.893 5.519 67 HD3 LYS 8 HD3 LYS 8 -0.922 -3.415 6.246 68 HE2 LYS 8 HE2 LYS 8 1.447 -2.616 6.119 69 HE3 LYS 8 HE3 LYS 8 0.889 -1.111 5.378 70 HZ1 LYS 8 HZ1 LYS 8 0.154 -2.042 8.103 71 HZ2 LYS 8 HZ2 LYS 8 1.229 -0.860 7.770 72 HZ3 LYS 8 HZ3 LYS 8 -0.351 -0.643 7.421 73 H ARG 9 H ARG 9 2.702 -3.801 1.859 74 HA ARG 9 HA ARG 9 4.677 -6.004 2.162 75 HB2 ARG 9 HB2 ARG 9 3.419 -5.975 -0.137 76 HB3 ARG 9 HB3 ARG 9 4.270 -4.471 -0.442 77 HG2 ARG 9 HG2 ARG 9 5.413 -6.248 -1.550 78 HG3 ARG 9 HG3 ARG 9 6.452 -5.746 -0.204 79 HD2 ARG 9 HD2 ARG 9 5.631 -7.686 1.123 80 HD3 ARG 9 HD3 ARG 9 4.581 -8.166 -0.223 81 HE ARG 9 HE ARG 9 7.480 -8.532 0.029 82 HH11 ARG 9 HH11 ARG 9 4.876 -8.498 -2.329 83 HH12 ARG 9 HH12 ARG 9 5.792 -9.431 -3.474 84 HH21 ARG 9 HH21 ARG 9 8.578 -9.712 -1.481 85 HH22 ARG 9 HH22 ARG 9 7.824 -10.097 -3.005 86 H MET 10 H MET 10 6.962 -5.116 1.713 87 HA MET 10 HA MET 10 7.252 -2.221 2.159 88 HB2 MET 10 HB2 MET 10 6.709 -3.216 4.403 89 HB3 MET 10 HB3 MET 10 8.158 -4.231 4.254 90 HG2 MET 10 HG2 MET 10 9.478 -2.042 4.021 91 HG3 MET 10 HG3 MET 10 8.008 -1.204 4.500 92 HE1 MET 10 HE1 MET 10 7.558 -2.411 8.228 93 HE2 MET 10 HE2 MET 10 7.035 -1.231 7.012 94 HE3 MET 10 HE3 MET 10 6.724 -2.967 6.764 95 H PHE 11 H PHE 11 9.092 -1.420 1.490 96 HA PHE 11 HA PHE 11 11.117 -2.997 0.157 97 HB2 PHE 11 HB2 PHE 11 10.780 -0.048 0.708 98 HB3 PHE 11 HB3 PHE 11 12.196 -0.707 -0.115 99 HD1 PHE 11 HD1 PHE 11 11.742 -2.275 -2.183 100 HD2 PHE 11 HD2 PHE 11 8.937 0.634 -0.648 101 HE1 PHE 11 HE1 PHE 11 10.604 -2.195 -4.390 102 HE2 PHE 11 HE2 PHE 11 7.825 0.718 -2.856 103 HZ PHE 11 HZ PHE 11 8.650 -0.693 -4.730 104 H ALA 12 H ALA 12 13.430 -2.904 0.517 105 HA ALA 12 HA ALA 12 14.193 -3.648 3.143 106 HB1 ALA 12 HB1 ALA 12 15.325 -4.366 1.070 107 HB2 ALA 12 HB2 ALA 12 15.899 -2.703 0.796 108 HB3 ALA 12 HB3 ALA 12 16.473 -3.626 2.199 109 H ASN 13 H ASN 13 14.009 -0.454 1.755 110 HA ASN 13 HA ASN 13 15.645 0.857 3.812 111 HB2 ASN 13 HB2 ASN 13 14.996 2.927 2.633 112 HB3 ASN 13 HB3 ASN 13 15.664 1.701 1.544 113 HD21 ASN 13 HD21 ASN 13 14.680 2.855 -0.202 114 H GLY 14 H GLY 14 12.567 -0.451 3.999 115 HA2 GLY 14 HA2 GLY 14 11.130 -0.316 5.827 116 HA3 GLY 14 HA3 GLY 14 11.851 1.221 6.332 117 H THR 15 H THR 15 10.817 0.982 2.987 118 HA THR 15 HA THR 15 8.568 2.862 3.513 119 HB THR 15 HB THR 15 9.756 1.959 0.874 120 HG1 THR 15 HG1 THR 15 11.236 3.059 1.946 121 HG21 THR 15 HG21 THR 15 8.660 4.103 0.059 122 HG22 THR 15 HG22 THR 15 7.575 2.754 0.409 123 HG23 THR 15 HG23 THR 15 7.727 4.107 1.568 124 H VAL 16 H VAL 16 6.467 2.292 3.423 125 HA VAL 16 HA VAL 16 5.783 -0.546 2.884 126 HB VAL 16 HB VAL 16 4.313 1.747 4.235 127 HG11 VAL 16 HG11 VAL 16 3.332 -1.115 3.855 128 HG12 VAL 16 HG12 VAL 16 2.616 0.095 4.943 129 HG13 VAL 16 HG13 VAL 16 2.573 0.358 3.205 130 HG21 VAL 16 HG21 VAL 16 6.150 0.703 5.545 131 HG22 VAL 16 HG22 VAL 16 4.566 0.342 6.249 132 HG23 VAL 16 HG23 VAL 16 5.406 -0.895 5.293 133 H TYR 17 H TYR 17 4.284 -1.226 1.458 134 HA TYR 17 HA TYR 17 2.677 0.577 -0.191 135 HB2 TYR 17 HB2 TYR 17 3.545 -0.165 -2.316 136 HB3 TYR 17 HB3 TYR 17 4.831 0.552 -1.397 137 HD1 TYR 17 HD1 TYR 17 6.628 -0.922 -0.358 138 HD2 TYR 17 HD2 TYR 17 3.672 -2.415 -3.125 139 HE1 TYR 17 HE1 TYR 17 8.121 -2.826 -0.939 140 HE2 TYR 17 HE2 TYR 17 5.142 -4.352 -3.655 141 HH TYR 17 HH TYR 17 8.436 -4.630 -2.290 142 H TYR 18 H TYR 18 1.676 -1.135 -1.999 143 HA TYR 18 HA TYR 18 0.533 -3.419 -0.446 144 HB2 TYR 18 HB2 TYR 18 -0.887 -1.532 -2.366 145 HB3 TYR 18 HB3 TYR 18 -1.610 -2.886 -1.485 146 HD1 TYR 18 HD1 TYR 18 -0.190 0.528 -1.166 147 HD2 TYR 18 HD2 TYR 18 -2.161 -2.704 0.887 148 HE1 TYR 18 HE1 TYR 18 -0.491 1.984 0.814 149 HE2 TYR 18 HE2 TYR 18 -2.515 -1.223 2.866 150 HH TYR 18 HH TYR 18 -1.283 2.127 2.959 151 H PHE 19 H PHE 19 0.148 -5.289 -1.537 152 HA PHE 19 HA PHE 19 1.113 -5.573 -4.361 153 HB2 PHE 19 HB2 PHE 19 2.960 -5.894 -2.802 154 HB3 PHE 19 HB3 PHE 19 2.022 -7.091 -1.897 155 HD1 PHE 19 HD1 PHE 19 3.504 -6.310 -5.206 156 HD2 PHE 19 HD2 PHE 19 1.959 -9.420 -2.643 157 HE1 PHE 19 HE1 PHE 19 4.322 -8.000 -6.787 158 HE2 PHE 19 HE2 PHE 19 2.841 -11.133 -4.211 159 HZ PHE 19 HZ PHE 19 4.043 -10.441 -6.276 160 H ASN 20 H ASN 20 -0.060 -6.959 -5.589 161 HA ASN 20 HA ASN 20 -2.288 -8.449 -4.310 162 HB2 ASN 20 HB2 ASN 20 -2.698 -6.960 -6.280 163 HB3 ASN 20 HB3 ASN 20 -1.706 -8.053 -7.263 164 HD21 ASN 20 HD21 ASN 20 -5.546 -8.999 -6.592 165 HD22 ASN 20 HD22 ASN 20 -4.865 -7.430 -6.155 166 H HIS 21 H HIS 21 -2.067 -10.553 -3.804 167 HA HIS 21 HA HIS 21 0.410 -11.897 -4.497 168 HB2 HIS 21 HB2 HIS 21 -0.088 -13.409 -2.860 169 HB3 HIS 21 HB3 HIS 21 -0.884 -11.950 -2.272 170 HD2 HIS 21 HD2 HIS 21 -3.530 -12.069 -1.942 171 HE1 HIS 21 HE1 HIS 21 -4.063 -16.161 -3.013 172 HE2 HIS 21 HE2 HIS 21 -5.175 -14.127 -1.961 173 H ILE 22 H ILE 22 -2.714 -11.959 -6.014 174 HA ILE 22 HA ILE 22 -2.343 -14.588 -7.289 175 HB ILE 22 HB ILE 22 -4.446 -12.426 -7.757 176 HG12 ILE 22 HG12 ILE 22 -5.760 -14.450 -6.405 177 HG13 ILE 22 HG13 ILE 22 -4.187 -14.510 -5.607 178 HG21 ILE 22 HG21 ILE 22 -4.315 -14.007 -9.612 179 HG22 ILE 22 HG22 ILE 22 -4.398 -15.380 -8.481 180 HG23 ILE 22 HG23 ILE 22 -5.786 -14.285 -8.687 181 HD11 ILE 22 HD11 ILE 22 -5.963 -12.040 -5.941 182 HD12 ILE 22 HD12 ILE 22 -5.836 -13.031 -4.478 183 HD13 ILE 22 HD13 ILE 22 -4.435 -12.093 -5.031 184 H THR 23 H THR 23 -2.236 -11.151 -8.174 185 HA THR 23 HA THR 23 -1.469 -11.823 -10.958 186 HB THR 23 HB THR 23 -2.387 -9.793 -11.653 187 HG1 THR 23 HG1 THR 23 -3.340 -8.512 -9.786 188 HG21 THR 23 HG21 THR 23 -4.681 -9.843 -10.949 189 HG22 THR 23 HG22 THR 23 -4.105 -11.515 -10.975 190 HG23 THR 23 HG23 THR 23 -4.283 -10.662 -9.426 191 H ASN 24 H ASN 24 0.128 -10.791 -8.224 192 HA ASN 24 HA ASN 24 2.087 -9.884 -7.746 193 HB2 ASN 24 HB2 ASN 24 2.899 -10.491 -10.608 194 HB3 ASN 24 HB3 ASN 24 3.989 -10.155 -9.255 195 HD21 ASN 24 HD21 ASN 24 2.771 -12.659 -11.041 196 HD22 ASN 24 HD22 ASN 24 2.947 -13.928 -9.824 197 H ALA 25 H ALA 25 -0.077 -8.136 -9.058 198 HA ALA 25 HA ALA 25 1.312 -5.800 -10.045 199 HB1 ALA 25 HB1 ALA 25 -0.865 -4.704 -9.720 200 HB2 ALA 25 HB2 ALA 25 -1.070 -6.275 -10.516 201 HB3 ALA 25 HB3 ALA 25 -1.451 -6.098 -8.787 202 H SER 26 H SER 26 1.618 -3.784 -8.949 203 HA SER 26 HA SER 26 1.638 -3.821 -5.988 204 HB2 SER 26 HB2 SER 26 3.867 -2.871 -5.859 205 HB3 SER 26 HB3 SER 26 3.884 -4.491 -6.566 206 HG SER 26 HG SER 26 4.198 -3.613 -8.576 207 H GLN 27 H GLN 27 1.469 -1.834 -4.980 208 HA GLN 27 HA GLN 27 1.065 0.655 -6.509 209 HB2 GLN 27 HB2 GLN 27 -1.030 -0.285 -6.950 210 HB3 GLN 27 HB3 GLN 27 -1.127 -1.071 -5.375 211 HG2 GLN 27 HG2 GLN 27 -2.762 0.683 -5.512 212 HG3 GLN 27 HG3 GLN 27 -1.570 1.008 -4.270 213 HE21 GLN 27 HE21 GLN 27 -2.396 3.224 -4.401 214 HE22 GLN 27 HE22 GLN 27 -1.847 4.298 -5.710 215 H PHE 28 H PHE 28 1.154 2.496 -5.237 216 HA PHE 28 HA PHE 28 2.408 2.003 -2.634 217 HB2 PHE 28 HB2 PHE 28 3.811 3.183 -3.957 218 HB3 PHE 28 HB3 PHE 28 2.547 4.283 -4.520 219 HD1 PHE 28 HD1 PHE 28 2.156 6.372 -3.459 220 HD2 PHE 28 HD2 PHE 28 4.561 3.378 -1.490 221 HE1 PHE 28 HE1 PHE 28 2.790 8.024 -1.715 222 HE2 PHE 28 HE2 PHE 28 5.196 5.032 0.247 223 HZ PHE 28 HZ PHE 28 4.313 7.357 0.138 224 H GLU 29 H GLU 29 -0.319 4.095 -3.537 225 HA GLU 29 HA GLU 29 -0.971 4.447 -0.644 226 HB2 GLU 29 HB2 GLU 29 -2.275 5.574 -3.150 227 HB3 GLU 29 HB3 GLU 29 -2.841 5.837 -1.490 228 HG2 GLU 29 HG2 GLU 29 -0.622 6.834 -0.915 229 HG3 GLU 29 HG3 GLU 29 -0.138 6.678 -2.607 230 H ARG 30 H ARG 30 -3.018 3.709 0.227 231 HA ARG 30 HA ARG 30 -3.401 1.014 -0.248 232 HB2 ARG 30 HB2 ARG 30 -4.111 2.462 1.771 233 HB3 ARG 30 HB3 ARG 30 -5.614 2.740 0.902 234 HG2 ARG 30 HG2 ARG 30 -5.257 -0.087 0.820 235 HG3 ARG 30 HG3 ARG 30 -4.659 0.401 2.411 236 HD2 ARG 30 HD2 ARG 30 -6.889 -0.046 2.820 237 HD3 ARG 30 HD3 ARG 30 -6.899 1.713 2.630 238 HE ARG 30 HE ARG 30 -7.387 0.487 0.078 239 HH11 ARG 30 HH11 ARG 30 -9.146 0.945 3.098 240 HH12 ARG 30 HH12 ARG 30 -10.666 0.580 2.311 241 HH21 ARG 30 HH21 ARG 30 -9.288 0.094 -0.777 242 HH22 ARG 30 HH22 ARG 30 -10.774 0.156 0.181 243 HA PRO 31 HA PRO 31 -5.666 1.124 -4.101 244 HB2 PRO 31 HB2 PRO 31 -6.319 -1.565 -4.359 245 HB3 PRO 31 HB3 PRO 31 -4.727 -0.845 -4.737 246 HG2 PRO 31 HG2 PRO 31 -5.584 -2.232 -2.187 247 HG3 PRO 31 HG3 PRO 31 -4.066 -2.447 -3.118 248 HD2 PRO 31 HD2 PRO 31 -4.148 -0.897 -0.925 249 HD3 PRO 31 HD3 PRO 31 -3.193 -0.391 -2.347 250 H SER 32 H SER 32 -7.797 1.100 -4.900 251 HA SER 32 HA SER 32 -9.676 1.875 -2.919 252 HB2 SER 32 HB2 SER 32 -11.208 2.264 -4.825 253 HB3 SER 32 HB3 SER 32 -9.614 3.011 -5.006 254 HG SER 32 HG SER 32 -10.320 1.957 -6.918 255 H GLY 33 H GLY 33 -11.575 1.115 -2.208 256 HA2 GLY 33 HA2 GLY 33 -13.088 -1.145 -2.888 257 HA3 GLY 33 HA3 GLY 33 -11.815 -1.725 -1.810 258 H1' ALL 101 H1 ALL 34 11.786 2.206 -0.516 259 H2' ALL 101 H2 ALL 34 13.395 4.486 -1.794 260 H3' ALL 101 H3 ALL 34 11.296 5.084 -2.942 261 H4' ALL 101 H4 ALL 34 12.830 3.588 -4.129 262 H5' ALL 101 H5 ALL 34 11.335 1.260 -2.848 263 H6'1 ALL 101 H62 ALL 34 12.360 0.891 -5.192 264 H6'2 ALL 101 H61 ALL 34 12.897 -0.200 -3.900 265 HO'2 ALL 101 H2O ALL 34 11.265 4.527 0.131 266 HO'3 ALL 101 H3O ALL 34 9.612 3.375 -2.844 267 HO'4 ALL 101 H4O ALL 34 10.861 3.923 -5.181 268 HO'6 ALL 101 H6O ALL 34 14.649 1.343 -3.551 Start of MODEL 17 1 H1 LYS 1 H1 LYS 1 -10.332 -6.059 4.546 2 H2 LYS 1 H2 LYS 1 -11.238 -4.694 4.609 3 H3 LYS 1 H3 LYS 1 -10.777 -5.434 5.989 4 HA LYS 1 HA LYS 1 -9.482 -3.464 5.657 5 HB2 LYS 1 HB2 LYS 1 -8.478 -5.490 6.776 6 HB3 LYS 1 HB3 LYS 1 -7.739 -5.925 5.236 7 HG2 LYS 1 HG2 LYS 1 -6.618 -3.589 5.280 8 HG3 LYS 1 HG3 LYS 1 -7.274 -3.415 6.904 9 HD2 LYS 1 HD2 LYS 1 -5.030 -4.126 7.171 10 HD3 LYS 1 HD3 LYS 1 -6.022 -5.544 7.542 11 HE2 LYS 1 HE2 LYS 1 -5.606 -6.402 5.220 12 HE3 LYS 1 HE3 LYS 1 -4.637 -4.961 4.880 13 HZ1 LYS 1 HZ1 LYS 1 -3.990 -7.042 6.892 14 HZ2 LYS 1 HZ2 LYS 1 -3.202 -6.784 5.478 15 HZ3 LYS 1 HZ3 LYS 1 -3.123 -5.673 6.671 16 H LEU 2 H LEU 2 -8.345 -5.769 3.130 17 HA LEU 2 HA LEU 2 -8.097 -3.503 1.203 18 HB2 LEU 2 HB2 LEU 2 -6.297 -5.903 1.678 19 HB3 LEU 2 HB3 LEU 2 -6.146 -4.825 0.285 20 HG LEU 2 HG LEU 2 -5.902 -3.802 3.131 21 HD11 LEU 2 HD11 LEU 2 -3.708 -4.687 1.224 22 HD12 LEU 2 HD12 LEU 2 -3.473 -3.889 2.798 23 HD13 LEU 2 HD13 LEU 2 -4.186 -5.510 2.725 24 HD21 LEU 2 HD21 LEU 2 -4.761 -1.922 2.076 25 HD22 LEU 2 HD22 LEU 2 -4.900 -2.690 0.482 26 HD23 LEU 2 HD23 LEU 2 -6.351 -2.108 1.327 27 HA PRO 3 HA PRO 3 -10.569 -5.862 -1.577 28 HB2 PRO 3 HB2 PRO 3 -8.847 -5.277 -3.923 29 HB3 PRO 3 HB3 PRO 3 -10.523 -4.761 -3.588 30 HG2 PRO 3 HG2 PRO 3 -8.402 -3.031 -3.472 31 HG3 PRO 3 HG3 PRO 3 -9.821 -2.895 -2.372 32 HD2 PRO 3 HD2 PRO 3 -7.134 -4.163 -1.827 33 HD3 PRO 3 HD3 PRO 3 -8.067 -3.025 -0.815 34 HA PRO 4 HA PRO 4 -9.349 -9.960 -2.370 35 HB2 PRO 4 HB2 PRO 4 -9.879 -9.673 -5.337 36 HB3 PRO 4 HB3 PRO 4 -10.363 -10.996 -4.226 37 HG2 PRO 4 HG2 PRO 4 -12.153 -9.081 -4.869 38 HG3 PRO 4 HG3 PRO 4 -11.989 -9.587 -3.152 39 HD2 PRO 4 HD2 PRO 4 -10.810 -7.156 -4.521 40 HD3 PRO 4 HD3 PRO 4 -11.629 -7.275 -2.931 41 H GLY 5 H GLY 5 -7.413 -10.797 -2.243 42 HA2 GLY 5 HA2 GLY 5 -5.320 -11.575 -2.833 43 HA3 GLY 5 HA3 GLY 5 -5.408 -10.683 -4.361 44 H TRP 6 H TRP 6 -5.997 -8.164 -2.455 45 HA TRP 6 HA TRP 6 -3.221 -7.290 -2.442 46 HB2 TRP 6 HB2 TRP 6 -5.774 -5.968 -1.562 47 HB3 TRP 6 HB3 TRP 6 -4.185 -5.201 -1.450 48 HD1 TRP 6 HD1 TRP 6 -6.862 -6.172 -3.934 49 HE1 TRP 6 HE1 TRP 6 -6.407 -5.108 -6.225 50 HE3 TRP 6 HE3 TRP 6 -2.132 -4.440 -3.068 51 HZ2 TRP 6 HZ2 TRP 6 -4.167 -3.944 -7.589 52 HZ3 TRP 6 HZ3 TRP 6 -0.835 -3.379 -4.911 53 HH2 TRP 6 HH2 TRP 6 -1.829 -3.133 -7.169 54 H GLU 7 H GLU 7 -1.814 -7.028 -0.838 55 HA GLU 7 HA GLU 7 -2.643 -6.916 1.968 56 HB2 GLU 7 HB2 GLU 7 -2.380 -9.282 1.718 57 HB3 GLU 7 HB3 GLU 7 -0.872 -9.092 0.842 58 HG2 GLU 7 HG2 GLU 7 -0.524 -10.002 3.052 59 HG3 GLU 7 HG3 GLU 7 0.316 -8.482 2.837 60 H LYS 8 H LYS 8 -0.998 -6.040 3.370 61 HA LYS 8 HA LYS 8 0.639 -3.995 2.148 62 HB2 LYS 8 HB2 LYS 8 0.374 -5.010 4.985 63 HB3 LYS 8 HB3 LYS 8 1.638 -3.854 4.536 64 HG2 LYS 8 HG2 LYS 8 -0.029 -2.287 3.639 65 HG3 LYS 8 HG3 LYS 8 -1.323 -3.433 4.004 66 HD2 LYS 8 HD2 LYS 8 -1.318 -1.756 5.719 67 HD3 LYS 8 HD3 LYS 8 -0.727 -3.258 6.446 68 HE2 LYS 8 HE2 LYS 8 1.626 -2.432 6.186 69 HE3 LYS 8 HE3 LYS 8 1.010 -0.952 5.443 70 HZ1 LYS 8 HZ1 LYS 8 -0.133 -0.453 7.533 71 HZ2 LYS 8 HZ2 LYS 8 0.424 -1.829 8.220 72 HZ3 LYS 8 HZ3 LYS 8 1.465 -0.642 7.808 73 H ARG 9 H ARG 9 2.721 -3.689 1.967 74 HA ARG 9 HA ARG 9 4.676 -5.930 2.154 75 HB2 ARG 9 HB2 ARG 9 3.313 -5.588 -0.155 76 HB3 ARG 9 HB3 ARG 9 4.436 -4.262 -0.367 77 HG2 ARG 9 HG2 ARG 9 5.285 -6.160 -1.531 78 HG3 ARG 9 HG3 ARG 9 6.335 -5.952 -0.113 79 HD2 ARG 9 HD2 ARG 9 5.152 -7.793 1.040 80 HD3 ARG 9 HD3 ARG 9 3.976 -7.884 -0.281 81 HE ARG 9 HE ARG 9 5.531 -8.919 -1.683 82 HH11 ARG 9 HH11 ARG 9 7.094 -8.292 1.406 83 HH12 ARG 9 HH12 ARG 9 8.394 -9.397 1.052 84 HH21 ARG 9 HH21 ARG 9 7.224 -10.277 -2.051 85 HH22 ARG 9 HH22 ARG 9 8.457 -10.487 -0.839 86 H MET 10 H MET 10 6.966 -5.082 1.784 87 HA MET 10 HA MET 10 7.307 -2.194 2.191 88 HB2 MET 10 HB2 MET 10 6.729 -3.158 4.462 89 HB3 MET 10 HB3 MET 10 8.217 -4.122 4.359 90 HG2 MET 10 HG2 MET 10 9.496 -1.942 4.126 91 HG3 MET 10 HG3 MET 10 7.971 -1.091 4.340 92 HE1 MET 10 HE1 MET 10 10.924 -2.961 5.933 93 HE2 MET 10 HE2 MET 10 10.370 -3.351 7.576 94 HE3 MET 10 HE3 MET 10 9.693 -4.221 6.185 95 H PHE 11 H PHE 11 9.166 -1.435 1.532 96 HA PHE 11 HA PHE 11 11.185 -3.079 0.273 97 HB2 PHE 11 HB2 PHE 11 10.895 -0.113 0.749 98 HB3 PHE 11 HB3 PHE 11 12.304 -0.820 -0.046 99 HD1 PHE 11 HD1 PHE 11 9.058 0.553 -0.626 100 HD2 PHE 11 HD2 PHE 11 11.845 -2.408 -2.090 101 HE1 PHE 11 HE1 PHE 11 7.964 0.613 -2.843 102 HE2 PHE 11 HE2 PHE 11 10.727 -2.352 -4.306 103 HZ PHE 11 HZ PHE 11 8.790 -0.836 -4.688 104 H ALA 12 H ALA 12 13.490 -3.026 0.681 105 HA ALA 12 HA ALA 12 14.174 -3.725 3.341 106 HB1 ALA 12 HB1 ALA 12 15.957 -2.892 1.007 107 HB2 ALA 12 HB2 ALA 12 16.474 -3.796 2.446 108 HB3 ALA 12 HB3 ALA 12 15.326 -4.530 1.311 109 H ASN 13 H ASN 13 14.105 -0.563 1.879 110 HA ASN 13 HA ASN 13 15.748 0.756 3.922 111 HB2 ASN 13 HB2 ASN 13 15.151 2.813 2.695 112 HB3 ASN 13 HB3 ASN 13 15.793 1.553 1.631 113 HD21 ASN 13 HD21 ASN 13 14.820 2.816 -0.088 114 H GLY 14 H GLY 14 12.639 -0.482 4.103 115 HA2 GLY 14 HA2 GLY 14 11.172 -0.272 5.902 116 HA3 GLY 14 HA3 GLY 14 11.925 1.256 6.389 117 H THR 15 H THR 15 10.933 0.938 3.029 118 HA THR 15 HA THR 15 8.732 2.896 3.461 119 HB THR 15 HB THR 15 9.902 1.883 0.860 120 HG1 THR 15 HG1 THR 15 11.412 2.952 1.954 121 HG21 THR 15 HG21 THR 15 8.883 4.048 -0.007 122 HG22 THR 15 HG22 THR 15 7.757 2.740 0.373 123 HG23 THR 15 HG23 THR 15 7.950 4.114 1.500 124 H VAL 16 H VAL 16 6.640 2.322 3.484 125 HA VAL 16 HA VAL 16 5.903 -0.500 2.936 126 HB VAL 16 HB VAL 16 4.506 1.795 4.356 127 HG11 VAL 16 HG11 VAL 16 2.813 0.162 5.101 128 HG12 VAL 16 HG12 VAL 16 2.722 0.433 3.365 129 HG13 VAL 16 HG13 VAL 16 3.483 -1.053 3.987 130 HG21 VAL 16 HG21 VAL 16 4.799 0.374 6.350 131 HG22 VAL 16 HG22 VAL 16 5.602 -0.866 5.370 132 HG23 VAL 16 HG23 VAL 16 6.368 0.722 5.607 133 H TYR 17 H TYR 17 4.371 -1.148 1.540 134 HA TYR 17 HA TYR 17 2.746 0.680 -0.069 135 HB2 TYR 17 HB2 TYR 17 3.552 -0.087 -2.212 136 HB3 TYR 17 HB3 TYR 17 4.858 0.637 -1.333 137 HD1 TYR 17 HD1 TYR 17 6.607 -0.915 -0.203 138 HD2 TYR 17 HD2 TYR 17 3.757 -2.251 -3.163 139 HE1 TYR 17 HE1 TYR 17 8.076 -2.848 -0.772 140 HE2 TYR 17 HE2 TYR 17 5.217 -4.179 -3.704 141 HH TYR 17 HH TYR 17 7.243 -5.179 -3.335 142 H TYR 18 H TYR 18 1.695 -1.046 -1.863 143 HA TYR 18 HA TYR 18 0.612 -3.342 -0.279 144 HB2 TYR 18 HB2 TYR 18 -0.869 -1.522 -2.217 145 HB3 TYR 18 HB3 TYR 18 -1.547 -2.880 -1.306 146 HD1 TYR 18 HD1 TYR 18 -0.334 0.606 -1.106 147 HD2 TYR 18 HD2 TYR 18 -1.991 -2.702 1.111 148 HE1 TYR 18 HE1 TYR 18 -0.732 2.113 0.823 149 HE2 TYR 18 HE2 TYR 18 -2.445 -1.174 3.034 150 HH TYR 18 HH TYR 18 -1.509 2.272 2.969 151 H PHE 19 H PHE 19 0.316 -5.242 -1.338 152 HA PHE 19 HA PHE 19 1.094 -5.468 -4.209 153 HB2 PHE 19 HB2 PHE 19 3.094 -5.858 -2.915 154 HB3 PHE 19 HB3 PHE 19 2.242 -7.018 -1.878 155 HD1 PHE 19 HD1 PHE 19 3.162 -6.349 -5.419 156 HD2 PHE 19 HD2 PHE 19 2.187 -9.370 -2.498 157 HE1 PHE 19 HE1 PHE 19 3.649 -8.086 -7.079 158 HE2 PHE 19 HE2 PHE 19 2.760 -11.133 -4.147 159 HZ PHE 19 HZ PHE 19 3.487 -10.513 -6.444 160 H ASN 20 H ASN 20 -0.032 -6.892 -5.414 161 HA ASN 20 HA ASN 20 -2.196 -8.406 -4.060 162 HB2 ASN 20 HB2 ASN 20 -2.664 -6.780 -5.938 163 HB3 ASN 20 HB3 ASN 20 -1.857 -7.920 -7.030 164 HD21 ASN 20 HD21 ASN 20 -4.831 -6.995 -6.096 165 HD22 ASN 20 HD22 ASN 20 -5.686 -8.527 -6.141 166 H HIS 21 H HIS 21 -1.777 -10.468 -3.547 167 HA HIS 21 HA HIS 21 0.497 -11.880 -4.667 168 HB2 HIS 21 HB2 HIS 21 0.206 -13.384 -2.988 169 HB3 HIS 21 HB3 HIS 21 -0.542 -11.962 -2.265 170 HD2 HIS 21 HD2 HIS 21 -3.089 -12.190 -1.542 171 HE1 HIS 21 HE1 HIS 21 -3.753 -16.184 -2.876 172 HE2 HIS 21 HE2 HIS 21 -4.716 -14.259 -1.515 173 H ILE 22 H ILE 22 -2.861 -11.766 -5.576 174 HA ILE 22 HA ILE 22 -2.875 -14.337 -7.002 175 HB ILE 22 HB ILE 22 -4.908 -12.065 -6.879 176 HG12 ILE 22 HG12 ILE 22 -4.757 -14.680 -5.295 177 HG13 ILE 22 HG13 ILE 22 -4.467 -13.056 -4.649 178 HG21 ILE 22 HG21 ILE 22 -6.530 -13.727 -7.715 179 HG22 ILE 22 HG22 ILE 22 -5.234 -13.485 -8.869 180 HG23 ILE 22 HG23 ILE 22 -5.232 -14.938 -7.841 181 HD11 ILE 22 HD11 ILE 22 -7.117 -14.196 -5.552 182 HD12 ILE 22 HD12 ILE 22 -6.620 -13.649 -3.941 183 HD13 ILE 22 HD13 ILE 22 -6.849 -12.462 -5.242 184 H THR 23 H THR 23 -2.767 -10.878 -7.766 185 HA THR 23 HA THR 23 -2.537 -11.452 -10.665 186 HB THR 23 HB THR 23 -3.503 -9.400 -11.137 187 HG1 THR 23 HG1 THR 23 -4.022 -8.159 -9.038 188 HG21 THR 23 HG21 THR 23 -4.965 -10.207 -8.580 189 HG22 THR 23 HG22 THR 23 -5.612 -9.339 -9.985 190 HG23 THR 23 HG23 THR 23 -5.144 -11.040 -10.141 191 H ASN 24 H ASN 24 -0.436 -10.607 -8.232 192 HA ASN 24 HA ASN 24 1.633 -9.832 -8.084 193 HB2 ASN 24 HB2 ASN 24 1.740 -11.474 -10.185 194 HB3 ASN 24 HB3 ASN 24 2.173 -9.983 -11.037 195 HD21 ASN 24 HD21 ASN 24 3.966 -8.680 -9.761 196 HD22 ASN 24 HD22 ASN 24 5.312 -9.693 -9.204 197 H ALA 25 H ALA 25 -0.671 -7.923 -8.943 198 HA ALA 25 HA ALA 25 0.685 -5.587 -10.006 199 HB1 ALA 25 HB1 ALA 25 -1.934 -5.858 -8.468 200 HB2 ALA 25 HB2 ALA 25 -1.400 -4.441 -9.395 201 HB3 ALA 25 HB3 ALA 25 -1.750 -5.963 -10.233 202 H SER 26 H SER 26 1.120 -3.615 -8.835 203 HA SER 26 HA SER 26 1.330 -3.759 -5.899 204 HB2 SER 26 HB2 SER 26 3.602 -2.859 -5.850 205 HB3 SER 26 HB3 SER 26 3.535 -4.488 -6.518 206 HG SER 26 HG SER 26 3.772 -3.646 -8.572 207 H GLN 27 H GLN 27 1.331 -1.737 -4.848 208 HA GLN 27 HA GLN 27 1.275 0.761 -6.377 209 HB2 GLN 27 HB2 GLN 27 -1.215 -0.612 -5.646 210 HB3 GLN 27 HB3 GLN 27 -1.095 0.903 -4.782 211 HG2 GLN 27 HG2 GLN 27 -0.876 0.595 -7.795 212 HG3 GLN 27 HG3 GLN 27 -2.301 1.121 -6.903 213 HE21 GLN 27 HE21 GLN 27 -1.620 2.835 -8.811 214 HE22 GLN 27 HE22 GLN 27 -0.780 4.235 -8.132 215 H PHE 28 H PHE 28 1.803 2.510 -5.143 216 HA PHE 28 HA PHE 28 2.486 2.071 -2.308 217 HB2 PHE 28 HB2 PHE 28 4.201 3.130 -3.446 218 HB3 PHE 28 HB3 PHE 28 3.103 4.257 -4.251 219 HD1 PHE 28 HD1 PHE 28 4.761 3.455 -1.033 220 HD2 PHE 28 HD2 PHE 28 2.374 6.318 -3.203 221 HE1 PHE 28 HE1 PHE 28 5.176 5.139 0.739 222 HE2 PHE 28 HE2 PHE 28 2.794 8.008 -1.428 223 HZ PHE 28 HZ PHE 28 4.194 7.423 0.545 224 H GLU 29 H GLU 29 -0.049 3.607 -4.141 225 HA GLU 29 HA GLU 29 -1.243 4.898 -1.788 226 HB2 GLU 29 HB2 GLU 29 -1.500 6.021 -3.882 227 HB3 GLU 29 HB3 GLU 29 -2.022 4.551 -4.688 228 HG2 GLU 29 HG2 GLU 29 -3.860 6.026 -4.477 229 HG3 GLU 29 HG3 GLU 29 -4.163 4.583 -3.529 230 H ARG 30 H ARG 30 -3.027 4.199 -0.656 231 HA ARG 30 HA ARG 30 -3.408 1.390 -0.340 232 HB2 ARG 30 HB2 ARG 30 -3.643 2.920 1.472 233 HB3 ARG 30 HB3 ARG 30 -4.962 3.783 0.699 234 HG2 ARG 30 HG2 ARG 30 -5.273 0.820 1.241 235 HG3 ARG 30 HG3 ARG 30 -5.349 1.948 2.603 236 HD2 ARG 30 HD2 ARG 30 -7.416 2.658 2.100 237 HD3 ARG 30 HD3 ARG 30 -7.011 2.930 0.412 238 HE ARG 30 HE ARG 30 -7.930 0.925 -0.184 239 HH11 ARG 30 HH11 ARG 30 -8.961 -0.924 -0.008 240 HH12 ARG 30 HH12 ARG 30 -9.292 -1.630 1.582 241 HH21 ARG 30 HH21 ARG 30 -8.454 -0.790 3.353 242 HH22 ARG 30 HH22 ARG 30 -7.596 0.745 3.328 243 HA PRO 31 HA PRO 31 -5.944 0.941 -3.937 244 HB2 PRO 31 HB2 PRO 31 -6.428 -1.754 -3.930 245 HB3 PRO 31 HB3 PRO 31 -4.824 -1.037 -4.265 246 HG2 PRO 31 HG2 PRO 31 -5.860 -2.106 -1.621 247 HG3 PRO 31 HG3 PRO 31 -4.306 -2.488 -2.432 248 HD2 PRO 31 HD2 PRO 31 -4.449 -0.611 -0.482 249 HD3 PRO 31 HD3 PRO 31 -3.409 -0.366 -1.913 250 H SER 32 H SER 32 -7.988 1.281 -4.437 251 HA SER 32 HA SER 32 -10.195 1.691 -4.313 252 HB2 SER 32 HB2 SER 32 -10.222 -0.832 -4.290 253 HB3 SER 32 HB3 SER 32 -10.493 -0.736 -2.539 254 HG SER 32 HG SER 32 -12.432 -0.881 -3.808 255 H GLY 33 H GLY 33 -12.162 1.915 -2.708 256 HA2 GLY 33 HA2 GLY 33 -11.799 2.690 0.010 257 HA3 GLY 33 HA3 GLY 33 -11.602 4.130 -0.991 258 H1' ALL 101 H1 ALL 34 11.933 2.156 -0.455 259 H2' ALL 101 H2 ALL 34 13.624 4.374 -1.731 260 H3' ALL 101 H3 ALL 34 11.660 4.971 -3.046 261 H4' ALL 101 H4 ALL 34 13.142 3.358 -4.106 262 H5' ALL 101 H5 ALL 34 11.523 1.150 -2.762 263 H6'1 ALL 101 H62 ALL 34 12.617 0.635 -5.052 264 H6'2 ALL 101 H61 ALL 34 13.068 -0.412 -3.692 265 HO'2 ALL 101 H2O ALL 34 11.574 4.408 0.245 266 HO'3 ALL 101 H3O ALL 34 9.989 4.301 -1.694 267 HO'4 ALL 101 H4O ALL 34 10.353 2.869 -4.257 268 HO'6 ALL 101 H6O ALL 34 14.857 1.093 -3.349 Start of MODEL 18 1 H1 LYS 1 H1 LYS 1 -12.195 -6.116 3.002 2 H2 LYS 1 H2 LYS 1 -12.052 -6.244 4.624 3 H3 LYS 1 H3 LYS 1 -10.779 -6.608 3.665 4 HA LYS 1 HA LYS 1 -12.014 -3.955 3.992 5 HB2 LYS 1 HB2 LYS 1 -10.740 -4.722 5.961 6 HB3 LYS 1 HB3 LYS 1 -9.280 -4.862 4.999 7 HG2 LYS 1 HG2 LYS 1 -10.799 -2.233 5.049 8 HG3 LYS 1 HG3 LYS 1 -9.906 -2.709 6.477 9 HD2 LYS 1 HD2 LYS 1 -8.652 -2.283 3.732 10 HD3 LYS 1 HD3 LYS 1 -8.647 -1.161 5.091 11 HE2 LYS 1 HE2 LYS 1 -7.555 -3.073 6.465 12 HE3 LYS 1 HE3 LYS 1 -7.242 -3.856 4.906 13 HZ1 LYS 1 HZ1 LYS 1 -5.369 -2.502 5.592 14 HZ2 LYS 1 HZ2 LYS 1 -6.019 -1.835 4.246 15 HZ3 LYS 1 HZ3 LYS 1 -6.289 -1.163 5.716 16 H LEU 2 H LEU 2 -8.878 -5.280 2.798 17 HA LEU 2 HA LEU 2 -8.831 -3.428 0.531 18 HB2 LEU 2 HB2 LEU 2 -7.111 -5.792 1.396 19 HB3 LEU 2 HB3 LEU 2 -6.778 -4.839 -0.053 20 HG LEU 2 HG LEU 2 -6.907 -3.588 2.710 21 HD11 LEU 2 HD11 LEU 2 -5.116 -5.238 2.703 22 HD12 LEU 2 HD12 LEU 2 -4.484 -4.579 1.174 23 HD13 LEU 2 HD13 LEU 2 -4.439 -3.600 2.661 24 HD21 LEU 2 HD21 LEU 2 -5.596 -1.793 1.618 25 HD22 LEU 2 HD22 LEU 2 -5.697 -2.673 0.081 26 HD23 LEU 2 HD23 LEU 2 -7.165 -1.996 0.826 27 HA PRO 3 HA PRO 3 -10.859 -6.040 -2.426 28 HB2 PRO 3 HB2 PRO 3 -8.815 -5.577 -4.528 29 HB3 PRO 3 HB3 PRO 3 -10.530 -5.088 -4.491 30 HG2 PRO 3 HG2 PRO 3 -8.482 -3.280 -4.190 31 HG3 PRO 3 HG3 PRO 3 -10.055 -3.111 -3.344 32 HD2 PRO 3 HD2 PRO 3 -7.463 -4.270 -2.290 33 HD3 PRO 3 HD3 PRO 3 -8.551 -3.085 -1.513 34 HA PRO 4 HA PRO 4 -9.380 -10.125 -2.552 35 HB2 PRO 4 HB2 PRO 4 -9.699 -10.237 -5.559 36 HB3 PRO 4 HB3 PRO 4 -10.223 -11.424 -4.323 37 HG2 PRO 4 HG2 PRO 4 -12.017 -9.685 -5.347 38 HG3 PRO 4 HG3 PRO 4 -11.979 -9.965 -3.573 39 HD2 PRO 4 HD2 PRO 4 -10.771 -7.673 -5.143 40 HD3 PRO 4 HD3 PRO 4 -11.719 -7.631 -3.624 41 H GLY 5 H GLY 5 -7.401 -10.792 -2.174 42 HA2 GLY 5 HA2 GLY 5 -5.258 -11.571 -2.586 43 HA3 GLY 5 HA3 GLY 5 -5.281 -10.832 -4.196 44 H TRP 6 H TRP 6 -6.074 -8.176 -2.529 45 HA TRP 6 HA TRP 6 -3.336 -7.186 -2.482 46 HB2 TRP 6 HB2 TRP 6 -5.985 -5.923 -1.844 47 HB3 TRP 6 HB3 TRP 6 -4.446 -5.085 -1.621 48 HD1 TRP 6 HD1 TRP 6 -6.780 -6.345 -4.327 49 HE1 TRP 6 HE1 TRP 6 -6.181 -5.276 -6.591 50 HE3 TRP 6 HE3 TRP 6 -2.319 -4.212 -3.037 51 HZ2 TRP 6 HZ2 TRP 6 -3.960 -3.833 -7.729 52 HZ3 TRP 6 HZ3 TRP 6 -0.954 -3.025 -4.756 53 HH2 TRP 6 HH2 TRP 6 -1.756 -2.842 -7.090 54 H GLU 7 H GLU 7 -1.973 -6.860 -0.895 55 HA GLU 7 HA GLU 7 -2.791 -6.770 1.954 56 HB2 GLU 7 HB2 GLU 7 -0.710 -8.647 0.747 57 HB3 GLU 7 HB3 GLU 7 -0.805 -8.293 2.461 58 HG2 GLU 7 HG2 GLU 7 -2.980 -9.665 0.829 59 HG3 GLU 7 HG3 GLU 7 -1.810 -10.452 1.870 60 H LYS 8 H LYS 8 -1.038 -5.951 3.356 61 HA LYS 8 HA LYS 8 0.559 -3.835 2.116 62 HB2 LYS 8 HB2 LYS 8 0.244 -4.804 4.965 63 HB3 LYS 8 HB3 LYS 8 1.549 -3.697 4.506 64 HG2 LYS 8 HG2 LYS 8 -0.055 -2.092 3.575 65 HG3 LYS 8 HG3 LYS 8 -1.391 -3.189 3.937 66 HD2 LYS 8 HD2 LYS 8 -1.367 -1.501 5.634 67 HD3 LYS 8 HD3 LYS 8 -0.800 -3.001 6.389 68 HE2 LYS 8 HE2 LYS 8 1.568 -2.209 6.101 69 HE3 LYS 8 HE3 LYS 8 0.961 -0.726 5.354 70 HZ1 LYS 8 HZ1 LYS 8 -0.163 -0.207 7.451 71 HZ2 LYS 8 HZ2 LYS 8 0.387 -1.583 8.140 72 HZ3 LYS 8 HZ3 LYS 8 1.436 -0.408 7.715 73 H ARG 9 H ARG 9 2.658 -3.614 1.933 74 HA ARG 9 HA ARG 9 4.532 -5.905 2.231 75 HB2 ARG 9 HB2 ARG 9 3.290 -5.855 -0.048 76 HB3 ARG 9 HB3 ARG 9 4.148 -4.359 -0.374 77 HG2 ARG 9 HG2 ARG 9 5.254 -6.146 -1.494 78 HG3 ARG 9 HG3 ARG 9 6.322 -5.642 -0.172 79 HD2 ARG 9 HD2 ARG 9 5.473 -7.580 1.180 80 HD3 ARG 9 HD3 ARG 9 4.475 -8.079 -0.199 81 HE ARG 9 HE ARG 9 7.359 -8.416 0.163 82 HH11 ARG 9 HH11 ARG 9 4.889 -8.332 -2.337 83 HH12 ARG 9 HH12 ARG 9 5.892 -9.194 -3.465 84 HH21 ARG 9 HH21 ARG 9 8.561 -9.512 -1.327 85 HH22 ARG 9 HH22 ARG 9 7.906 -9.838 -2.908 86 H MET 10 H MET 10 6.850 -5.146 1.790 87 HA MET 10 HA MET 10 7.303 -2.271 2.196 88 HB2 MET 10 HB2 MET 10 6.718 -3.186 4.459 89 HB3 MET 10 HB3 MET 10 8.103 -4.289 4.324 90 HG2 MET 10 HG2 MET 10 9.545 -2.180 4.029 91 HG3 MET 10 HG3 MET 10 8.130 -1.256 4.515 92 HE1 MET 10 HE1 MET 10 7.177 -1.219 7.043 93 HE2 MET 10 HE2 MET 10 6.794 -2.946 6.823 94 HE3 MET 10 HE3 MET 10 7.670 -2.402 8.267 95 H PHE 11 H PHE 11 9.164 -1.596 1.462 96 HA PHE 11 HA PHE 11 11.093 -3.325 0.168 97 HB2 PHE 11 HB2 PHE 11 10.908 -0.343 0.594 98 HB3 PHE 11 HB3 PHE 11 12.267 -1.108 -0.234 99 HD1 PHE 11 HD1 PHE 11 8.955 0.241 -0.678 100 HD2 PHE 11 HD2 PHE 11 11.801 -2.583 -2.292 101 HE1 PHE 11 HE1 PHE 11 7.769 0.270 -2.848 102 HE2 PHE 11 HE2 PHE 11 10.605 -2.536 -4.465 103 HZ PHE 11 HZ PHE 11 8.587 -1.106 -4.748 104 H ALA 12 H ALA 12 13.418 -3.303 0.496 105 HA ALA 12 HA ALA 12 14.173 -3.994 3.137 106 HB1 ALA 12 HB1 ALA 12 16.441 -4.118 2.173 107 HB2 ALA 12 HB2 ALA 12 15.244 -4.832 1.077 108 HB3 ALA 12 HB3 ALA 12 15.898 -3.210 0.745 109 H ASN 13 H ASN 13 14.124 -0.834 1.666 110 HA ASN 13 HA ASN 13 15.860 0.452 3.656 111 HB2 ASN 13 HB2 ASN 13 15.269 2.524 2.439 112 HB3 ASN 13 HB3 ASN 13 15.872 1.249 1.369 113 HD21 ASN 13 HD21 ASN 13 14.877 2.527 -0.335 114 H GLY 14 H GLY 14 12.725 -0.704 3.922 115 HA2 GLY 14 HA2 GLY 14 11.298 -0.442 5.746 116 HA3 GLY 14 HA3 GLY 14 12.110 1.062 6.214 117 H THR 15 H THR 15 11.013 0.720 2.881 118 HA THR 15 HA THR 15 8.906 2.783 3.328 119 HB THR 15 HB THR 15 9.956 1.629 0.727 120 HG1 THR 15 HG1 THR 15 11.527 2.702 1.727 121 HG21 THR 15 HG21 THR 15 8.973 3.762 -0.220 122 HG22 THR 15 HG22 THR 15 7.811 2.530 0.285 123 HG23 THR 15 HG23 THR 15 8.105 3.959 1.316 124 H VAL 16 H VAL 16 6.779 2.306 3.377 125 HA VAL 16 HA VAL 16 5.902 -0.494 2.898 126 HB VAL 16 HB VAL 16 4.619 1.894 4.275 127 HG11 VAL 16 HG11 VAL 16 2.768 0.621 3.287 128 HG12 VAL 16 HG12 VAL 16 3.446 -0.899 3.919 129 HG13 VAL 16 HG13 VAL 16 2.834 0.353 5.025 130 HG21 VAL 16 HG21 VAL 16 4.824 0.475 6.285 131 HG22 VAL 16 HG22 VAL 16 5.557 -0.815 5.312 132 HG23 VAL 16 HG23 VAL 16 6.412 0.729 5.543 133 H TYR 17 H TYR 17 4.357 -1.086 1.495 134 HA TYR 17 HA TYR 17 2.814 0.794 -0.135 135 HB2 TYR 17 HB2 TYR 17 3.634 0.052 -2.260 136 HB3 TYR 17 HB3 TYR 17 4.989 0.640 -1.348 137 HD1 TYR 17 HD1 TYR 17 6.555 -1.107 -0.197 138 HD2 TYR 17 HD2 TYR 17 3.703 -2.071 -3.290 139 HE1 TYR 17 HE1 TYR 17 7.895 -3.113 -0.826 140 HE2 TYR 17 HE2 TYR 17 5.028 -4.084 -3.890 141 HH TYR 17 HH TYR 17 6.988 -5.217 -3.560 142 H TYR 18 H TYR 18 1.689 -0.859 -1.903 143 HA TYR 18 HA TYR 18 0.580 -3.150 -0.341 144 HB2 TYR 18 HB2 TYR 18 -0.879 -1.263 -2.222 145 HB3 TYR 18 HB3 TYR 18 -1.571 -2.663 -1.389 146 HD1 TYR 18 HD1 TYR 18 -2.175 -2.571 0.973 147 HD2 TYR 18 HD2 TYR 18 -0.183 0.745 -0.938 148 HE1 TYR 18 HE1 TYR 18 -2.600 -1.152 2.977 149 HE2 TYR 18 HE2 TYR 18 -0.529 2.136 1.077 150 HH TYR 18 HH TYR 18 -1.369 2.205 3.207 151 H PHE 19 H PHE 19 0.149 -5.027 -1.399 152 HA PHE 19 HA PHE 19 1.041 -5.346 -4.233 153 HB2 PHE 19 HB2 PHE 19 2.991 -5.642 -2.780 154 HB3 PHE 19 HB3 PHE 19 2.107 -6.838 -1.815 155 HD1 PHE 19 HD1 PHE 19 3.312 -6.092 -5.251 156 HD2 PHE 19 HD2 PHE 19 2.103 -9.173 -2.485 157 HE1 PHE 19 HE1 PHE 19 4.011 -7.800 -6.873 158 HE2 PHE 19 HE2 PHE 19 2.879 -10.902 -4.091 159 HZ PHE 19 HZ PHE 19 3.835 -10.234 -6.287 160 H ASN 20 H ASN 20 -0.072 -6.851 -5.372 161 HA ASN 20 HA ASN 20 -2.192 -8.372 -3.952 162 HB2 ASN 20 HB2 ASN 20 -2.715 -6.897 -5.931 163 HB3 ASN 20 HB3 ASN 20 -1.824 -8.053 -6.942 164 HD21 ASN 20 HD21 ASN 20 -5.622 -8.855 -5.932 165 HD22 ASN 20 HD22 ASN 20 -4.870 -7.264 -5.893 166 H HIS 21 H HIS 21 -1.751 -10.410 -3.339 167 HA HIS 21 HA HIS 21 0.629 -11.773 -4.267 168 HB2 HIS 21 HB2 HIS 21 0.266 -13.269 -2.584 169 HB3 HIS 21 HB3 HIS 21 -0.523 -11.829 -1.938 170 HD2 HIS 21 HD2 HIS 21 -3.094 -12.066 -1.318 171 HE1 HIS 21 HE1 HIS 21 -3.659 -16.103 -2.560 172 HE2 HIS 21 HE2 HIS 21 -4.699 -14.152 -1.297 173 H ILE 22 H ILE 22 -2.649 -11.824 -5.416 174 HA ILE 22 HA ILE 22 -2.473 -14.445 -6.735 175 HB ILE 22 HB ILE 22 -4.610 -12.272 -6.857 176 HG12 ILE 22 HG12 ILE 22 -4.475 -14.746 -5.066 177 HG13 ILE 22 HG13 ILE 22 -4.250 -13.074 -4.527 178 HG21 ILE 22 HG21 ILE 22 -4.744 -15.225 -7.593 179 HG22 ILE 22 HG22 ILE 22 -6.098 -14.072 -7.648 180 HG23 ILE 22 HG23 ILE 22 -4.740 -13.863 -8.738 181 HD11 ILE 22 HD11 ILE 22 -6.425 -13.660 -3.899 182 HD12 ILE 22 HD12 ILE 22 -6.593 -12.562 -5.283 183 HD13 ILE 22 HD13 ILE 22 -6.827 -14.317 -5.496 184 H THR 23 H THR 23 -2.469 -11.010 -7.610 185 HA THR 23 HA THR 23 -2.050 -11.661 -10.476 186 HB THR 23 HB THR 23 -3.141 -9.684 -11.059 187 HG1 THR 23 HG1 THR 23 -3.897 -8.396 -9.130 188 HG21 THR 23 HG21 THR 23 -5.323 -9.812 -10.065 189 HG22 THR 23 HG22 THR 23 -4.689 -11.464 -10.143 190 HG23 THR 23 HG23 THR 23 -4.700 -10.588 -8.596 191 H ASN 24 H ASN 24 -0.127 -10.678 -8.006 192 HA ASN 24 HA ASN 24 1.747 -9.598 -7.689 193 HB2 ASN 24 HB2 ASN 24 3.594 -9.890 -9.229 194 HB3 ASN 24 HB3 ASN 24 2.664 -11.365 -8.969 195 HD21 ASN 24 HD21 ASN 24 2.024 -12.494 -10.773 196 HD22 ASN 24 HD22 ASN 24 2.125 -11.839 -12.410 197 H ALA 25 H ALA 25 -0.492 -7.936 -8.835 198 HA ALA 25 HA ALA 25 0.739 -5.559 -9.911 199 HB1 ALA 25 HB1 ALA 25 -1.680 -6.094 -10.102 200 HB2 ALA 25 HB2 ALA 25 -1.850 -5.939 -8.339 201 HB3 ALA 25 HB3 ALA 25 -1.413 -4.523 -9.315 202 H SER 26 H SER 26 1.194 -3.573 -8.816 203 HA SER 26 HA SER 26 1.404 -3.606 -5.868 204 HB2 SER 26 HB2 SER 26 3.677 -2.741 -5.888 205 HB3 SER 26 HB3 SER 26 3.590 -4.352 -6.608 206 HG SER 26 HG SER 26 4.879 -2.955 -7.855 207 H GLN 27 H GLN 27 1.366 -1.565 -4.870 208 HA GLN 27 HA GLN 27 1.206 0.902 -6.430 209 HB2 GLN 27 HB2 GLN 27 -1.021 -0.002 -6.836 210 HB3 GLN 27 HB3 GLN 27 -1.240 -0.334 -5.121 211 HG2 GLN 27 HG2 GLN 27 -2.578 1.535 -5.761 212 HG3 GLN 27 HG3 GLN 27 -1.341 2.070 -4.644 213 HE21 GLN 27 HE21 GLN 27 -2.979 3.224 -7.182 214 HE22 GLN 27 HE22 GLN 27 -1.705 4.199 -7.925 215 H PHE 28 H PHE 28 1.360 2.767 -5.169 216 HA PHE 28 HA PHE 28 2.321 2.344 -2.406 217 HB2 PHE 28 HB2 PHE 28 2.519 4.683 -4.290 218 HB3 PHE 28 HB3 PHE 28 2.931 4.798 -2.576 219 HD1 PHE 28 HD1 PHE 28 3.989 3.470 -5.828 220 HD2 PHE 28 HD2 PHE 28 4.839 3.540 -1.596 221 HE1 PHE 28 HE1 PHE 28 6.279 2.617 -6.273 222 HE2 PHE 28 HE2 PHE 28 7.129 2.695 -2.051 223 HZ PHE 28 HZ PHE 28 7.854 2.239 -4.385 224 H GLU 29 H GLU 29 -0.361 4.072 -3.890 225 HA GLU 29 HA GLU 29 -1.441 5.034 -1.345 226 HB2 GLU 29 HB2 GLU 29 -2.681 4.722 -4.110 227 HB3 GLU 29 HB3 GLU 29 -3.490 5.479 -2.746 228 HG2 GLU 29 HG2 GLU 29 -0.916 6.466 -4.054 229 HG3 GLU 29 HG3 GLU 29 -2.529 7.110 -4.328 230 H ARG 30 H ARG 30 -3.357 4.265 -0.294 231 HA ARG 30 HA ARG 30 -3.456 1.411 -0.019 232 HB2 ARG 30 HB2 ARG 30 -4.051 3.231 1.718 233 HB3 ARG 30 HB3 ARG 30 -5.622 3.307 0.921 234 HG2 ARG 30 HG2 ARG 30 -5.337 0.567 1.300 235 HG3 ARG 30 HG3 ARG 30 -4.407 1.204 2.665 236 HD2 ARG 30 HD2 ARG 30 -6.581 0.913 3.503 237 HD3 ARG 30 HD3 ARG 30 -6.466 2.656 3.195 238 HE ARG 30 HE ARG 30 -7.482 1.262 0.872 239 HH11 ARG 30 HH11 ARG 30 -9.485 1.213 0.296 240 HH12 ARG 30 HH12 ARG 30 -10.801 1.624 1.404 241 HH21 ARG 30 HH21 ARG 30 -10.335 2.242 3.449 242 HH22 ARG 30 HH22 ARG 30 -8.683 2.294 4.028 243 HA PRO 31 HA PRO 31 -6.221 0.548 -3.500 244 HB2 PRO 31 HB2 PRO 31 -6.561 -2.018 -1.960 245 HB3 PRO 31 HB3 PRO 31 -6.326 -1.792 -3.720 246 HG2 PRO 31 HG2 PRO 31 -4.247 -2.531 -2.156 247 HG3 PRO 31 HG3 PRO 31 -4.010 -1.261 -3.406 248 HD2 PRO 31 HD2 PRO 31 -4.419 -0.917 -0.426 249 HD3 PRO 31 HD3 PRO 31 -3.296 -0.087 -1.529 250 H SER 32 H SER 32 -8.478 -0.138 -3.904 251 HA SER 32 HA SER 32 -10.264 1.502 -2.554 252 HB2 SER 32 HB2 SER 32 -10.856 -0.884 -4.342 253 HB3 SER 32 HB3 SER 32 -12.022 0.377 -3.897 254 HG SER 32 HG SER 32 -11.017 0.820 -5.899 255 H GLY 33 H GLY 33 -12.058 1.264 -1.255 256 HA2 GLY 33 HA2 GLY 33 -13.338 -0.912 -0.162 257 HA3 GLY 33 HA3 GLY 33 -11.907 -0.762 0.857 258 H1' ALL 101 H1 ALL 34 12.002 1.805 -0.663 259 H2' ALL 101 H2 ALL 34 13.636 3.991 -2.062 260 H3' ALL 101 H3 ALL 34 11.651 4.468 -3.394 261 H4' ALL 101 H4 ALL 34 13.154 2.820 -4.372 262 H5' ALL 101 H5 ALL 34 11.600 0.679 -2.856 263 H6'1 ALL 101 H62 ALL 34 13.908 0.573 -4.826 264 H6'2 ALL 101 H61 ALL 34 12.413 -0.387 -4.833 265 HO'2 ALL 101 H2O ALL 34 11.634 4.088 -0.049 266 HO'3 ALL 101 H3O ALL 34 10.010 3.849 -1.978 267 HO'4 ALL 101 H4O ALL 34 10.379 2.254 -4.464 268 HO'6 ALL 101 H6O ALL 34 14.152 -0.462 -2.623 Start of MODEL 19 1 H1 LYS 1 H1 LYS 1 -11.024 -5.777 4.812 2 H2 LYS 1 H2 LYS 1 -10.376 -6.049 6.284 3 H3 LYS 1 H3 LYS 1 -9.625 -6.618 4.949 4 HA LYS 1 HA LYS 1 -10.039 -3.792 5.655 5 HB2 LYS 1 HB2 LYS 1 -7.642 -3.573 5.997 6 HB3 LYS 1 HB3 LYS 1 -8.396 -4.675 7.137 7 HG2 LYS 1 HG2 LYS 1 -7.484 -6.622 5.882 8 HG3 LYS 1 HG3 LYS 1 -6.708 -5.511 4.738 9 HD2 LYS 1 HD2 LYS 1 -5.467 -4.471 6.665 10 HD3 LYS 1 HD3 LYS 1 -6.087 -5.762 7.704 11 HE2 LYS 1 HE2 LYS 1 -4.427 -6.148 5.165 12 HE3 LYS 1 HE3 LYS 1 -3.770 -6.173 6.801 13 HZ1 LYS 1 HZ1 LYS 1 -5.025 -8.146 7.275 14 HZ2 LYS 1 HZ2 LYS 1 -5.842 -8.074 5.855 15 HZ3 LYS 1 HZ3 LYS 1 -4.251 -8.397 5.844 16 H LEU 2 H LEU 2 -8.184 -5.816 3.308 17 HA LEU 2 HA LEU 2 -8.303 -3.568 1.356 18 HB2 LEU 2 HB2 LEU 2 -6.259 -5.643 2.096 19 HB3 LEU 2 HB3 LEU 2 -6.437 -5.267 0.382 20 HG LEU 2 HG LEU 2 -6.123 -2.841 0.879 21 HD11 LEU 2 HD11 LEU 2 -5.313 -3.819 3.646 22 HD12 LEU 2 HD12 LEU 2 -4.917 -2.230 2.968 23 HD13 LEU 2 HD13 LEU 2 -6.616 -2.664 3.262 24 HD21 LEU 2 HD21 LEU 2 -3.774 -2.972 1.003 25 HD22 LEU 2 HD22 LEU 2 -3.803 -4.537 1.861 26 HD23 LEU 2 HD23 LEU 2 -4.289 -4.425 0.162 27 HA PRO 3 HA PRO 3 -10.780 -5.921 -1.471 28 HB2 PRO 3 HB2 PRO 3 -9.741 -5.279 -3.947 29 HB3 PRO 3 HB3 PRO 3 -10.685 -4.143 -2.932 30 HG2 PRO 3 HG2 PRO 3 -7.668 -4.406 -3.123 31 HG3 PRO 3 HG3 PRO 3 -8.656 -2.920 -3.262 32 HD2 PRO 3 HD2 PRO 3 -7.471 -3.604 -0.938 33 HD3 PRO 3 HD3 PRO 3 -9.126 -2.919 -0.937 34 HA PRO 4 HA PRO 4 -9.348 -9.879 -2.173 35 HB2 PRO 4 HB2 PRO 4 -10.059 -9.753 -5.113 36 HB3 PRO 4 HB3 PRO 4 -10.406 -11.051 -3.923 37 HG2 PRO 4 HG2 PRO 4 -12.328 -9.254 -4.523 38 HG3 PRO 4 HG3 PRO 4 -12.033 -9.679 -2.803 39 HD2 PRO 4 HD2 PRO 4 -11.078 -7.250 -4.336 40 HD3 PRO 4 HD3 PRO 4 -11.782 -7.352 -2.692 41 H GLY 5 H GLY 5 -7.436 -10.788 -2.221 42 HA2 GLY 5 HA2 GLY 5 -5.354 -11.509 -2.900 43 HA3 GLY 5 HA3 GLY 5 -5.534 -10.617 -4.421 44 H TRP 6 H TRP 6 -6.056 -8.051 -2.691 45 HA TRP 6 HA TRP 6 -3.267 -7.220 -2.627 46 HB2 TRP 6 HB2 TRP 6 -5.818 -5.747 -1.958 47 HB3 TRP 6 HB3 TRP 6 -4.192 -5.064 -1.864 48 HD1 TRP 6 HD1 TRP 6 -6.714 -6.214 -4.479 49 HE1 TRP 6 HE1 TRP 6 -6.113 -5.140 -6.737 50 HE3 TRP 6 HE3 TRP 6 -2.158 -4.230 -3.244 51 HZ2 TRP 6 HZ2 TRP 6 -3.870 -3.747 -7.900 52 HZ3 TRP 6 HZ3 TRP 6 -0.806 -3.038 -4.956 53 HH2 TRP 6 HH2 TRP 6 -1.638 -2.806 -7.282 54 H GLU 7 H GLU 7 -1.930 -6.851 -0.994 55 HA GLU 7 HA GLU 7 -2.818 -6.772 1.821 56 HB2 GLU 7 HB2 GLU 7 -1.281 -8.991 0.548 57 HB3 GLU 7 HB3 GLU 7 -0.519 -8.343 1.980 58 HG2 GLU 7 HG2 GLU 7 -3.366 -9.396 1.854 59 HG3 GLU 7 HG3 GLU 7 -1.963 -10.265 2.466 60 H LYS 8 H LYS 8 -1.004 -6.165 3.291 61 HA LYS 8 HA LYS 8 0.546 -3.914 2.250 62 HB2 LYS 8 HB2 LYS 8 0.336 -5.243 4.957 63 HB3 LYS 8 HB3 LYS 8 1.661 -4.123 4.605 64 HG2 LYS 8 HG2 LYS 8 0.069 -2.366 3.945 65 HG3 LYS 8 HG3 LYS 8 -1.283 -3.463 4.250 66 HD2 LYS 8 HD2 LYS 8 -1.085 -1.979 6.129 67 HD3 LYS 8 HD3 LYS 8 -0.569 -3.585 6.665 68 HE2 LYS 8 HE2 LYS 8 1.816 -2.901 6.381 69 HE3 LYS 8 HE3 LYS 8 1.293 -1.312 5.810 70 HZ1 LYS 8 HZ1 LYS 8 1.860 -1.270 8.169 71 HZ2 LYS 8 HZ2 LYS 8 0.270 -0.942 7.992 72 HZ3 LYS 8 HZ3 LYS 8 0.750 -2.415 8.516 73 H ARG 9 H ARG 9 2.633 -3.625 1.975 74 HA ARG 9 HA ARG 9 4.570 -5.880 2.002 75 HB2 ARG 9 HB2 ARG 9 3.183 -5.379 -0.284 76 HB3 ARG 9 HB3 ARG 9 4.367 -4.102 -0.436 77 HG2 ARG 9 HG2 ARG 9 5.100 -6.012 -1.677 78 HG3 ARG 9 HG3 ARG 9 6.189 -5.865 -0.282 79 HD2 ARG 9 HD2 ARG 9 5.079 -7.703 0.851 80 HD3 ARG 9 HD3 ARG 9 3.747 -7.687 -0.332 81 HE ARG 9 HE ARG 9 6.319 -8.157 -1.589 82 HH11 ARG 9 HH11 ARG 9 6.702 -10.119 -2.550 83 HH12 ARG 9 HH12 ARG 9 5.746 -11.507 -2.110 84 HH21 ARG 9 HH21 ARG 9 3.791 -9.843 0.162 85 HH22 ARG 9 HH22 ARG 9 4.140 -11.361 -0.625 86 H MET 10 H MET 10 6.851 -5.055 1.674 87 HA MET 10 HA MET 10 7.247 -2.181 2.134 88 HB2 MET 10 HB2 MET 10 6.671 -3.173 4.394 89 HB3 MET 10 HB3 MET 10 8.137 -4.166 4.261 90 HG2 MET 10 HG2 MET 10 9.470 -2.023 4.073 91 HG3 MET 10 HG3 MET 10 7.967 -1.129 4.280 92 HE1 MET 10 HE1 MET 10 10.842 -3.112 5.890 93 HE2 MET 10 HE2 MET 10 10.257 -3.486 7.526 94 HE3 MET 10 HE3 MET 10 9.563 -4.326 6.125 95 H PHE 11 H PHE 11 9.133 -1.441 1.504 96 HA PHE 11 HA PHE 11 11.095 -3.105 0.178 97 HB2 PHE 11 HB2 PHE 11 10.884 -0.144 0.722 98 HB3 PHE 11 HB3 PHE 11 12.271 -0.867 -0.096 99 HD1 PHE 11 HD1 PHE 11 11.759 -2.415 -2.161 100 HD2 PHE 11 HD2 PHE 11 9.066 0.603 -0.637 101 HE1 PHE 11 HE1 PHE 11 10.624 -2.301 -4.368 102 HE2 PHE 11 HE2 PHE 11 7.958 0.722 -2.846 103 HZ PHE 11 HZ PHE 11 8.728 -0.727 -4.715 104 H ALA 12 H ALA 12 13.404 -3.115 0.553 105 HA ALA 12 HA ALA 12 14.118 -3.889 3.187 106 HB1 ALA 12 HB1 ALA 12 15.877 -3.033 0.843 107 HB2 ALA 12 HB2 ALA 12 16.402 -3.977 2.254 108 HB3 ALA 12 HB3 ALA 12 15.224 -4.667 1.122 109 H ASN 13 H ASN 13 14.094 -0.697 1.778 110 HA ASN 13 HA ASN 13 15.770 0.550 3.840 111 HB2 ASN 13 HB2 ASN 13 15.222 2.640 2.649 112 HB3 ASN 13 HB3 ASN 13 15.837 1.382 1.566 113 HD21 ASN 13 HD21 ASN 13 14.912 2.571 -0.188 114 H GLY 14 H GLY 14 12.640 -0.624 4.016 115 HA2 GLY 14 HA2 GLY 14 11.194 -0.422 5.827 116 HA3 GLY 14 HA3 GLY 14 11.984 1.077 6.342 117 H THR 15 H THR 15 10.960 0.886 2.988 118 HA THR 15 HA THR 15 8.793 2.863 3.501 119 HB THR 15 HB THR 15 9.950 1.910 0.867 120 HG1 THR 15 HG1 THR 15 11.469 2.949 1.947 121 HG21 THR 15 HG21 THR 15 7.803 2.789 0.399 122 HG22 THR 15 HG22 THR 15 8.002 4.135 1.559 123 HG23 THR 15 HG23 THR 15 8.937 4.098 0.052 124 H VAL 16 H VAL 16 6.684 2.348 3.475 125 HA VAL 16 HA VAL 16 5.900 -0.452 2.894 126 HB VAL 16 HB VAL 16 4.499 1.839 4.315 127 HG11 VAL 16 HG11 VAL 16 2.740 0.442 3.322 128 HG12 VAL 16 HG12 VAL 16 3.520 -1.027 3.958 129 HG13 VAL 16 HG13 VAL 16 2.821 0.179 5.061 130 HG21 VAL 16 HG21 VAL 16 6.373 0.808 5.579 131 HG22 VAL 16 HG22 VAL 16 4.811 0.431 6.319 132 HG23 VAL 16 HG23 VAL 16 5.641 -0.795 5.345 133 H TYR 17 H TYR 17 4.384 -1.063 1.485 134 HA TYR 17 HA TYR 17 2.759 0.784 -0.093 135 HB2 TYR 17 HB2 TYR 17 3.517 0.015 -2.255 136 HB3 TYR 17 HB3 TYR 17 4.846 0.733 -1.404 137 HD1 TYR 17 HD1 TYR 17 6.602 -0.829 -0.295 138 HD2 TYR 17 HD2 TYR 17 3.707 -2.145 -3.221 139 HE1 TYR 17 HE1 TYR 17 8.053 -2.761 -0.879 140 HE2 TYR 17 HE2 TYR 17 5.151 -4.093 -3.769 141 HH TYR 17 HH TYR 17 8.359 -4.541 -2.263 142 H TYR 18 H TYR 18 1.723 -1.016 -1.909 143 HA TYR 18 HA TYR 18 0.751 -3.322 -0.280 144 HB2 TYR 18 HB2 TYR 18 -0.944 -1.506 -2.026 145 HB3 TYR 18 HB3 TYR 18 -1.499 -2.872 -1.048 146 HD1 TYR 18 HD1 TYR 18 -0.338 0.630 -0.998 147 HD2 TYR 18 HD2 TYR 18 -1.694 -2.667 1.441 148 HE1 TYR 18 HE1 TYR 18 -0.631 2.171 0.935 149 HE2 TYR 18 HE2 TYR 18 -2.071 -1.112 3.332 150 HH TYR 18 HH TYR 18 -1.881 1.029 4.090 151 H PHE 19 H PHE 19 0.191 -5.138 -1.417 152 HA PHE 19 HA PHE 19 1.052 -5.398 -4.269 153 HB2 PHE 19 HB2 PHE 19 3.016 -5.720 -2.913 154 HB3 PHE 19 HB3 PHE 19 2.156 -6.871 -1.872 155 HD1 PHE 19 HD1 PHE 19 3.218 -6.272 -5.381 156 HD2 PHE 19 HD2 PHE 19 2.142 -9.231 -2.433 157 HE1 PHE 19 HE1 PHE 19 3.835 -8.044 -6.958 158 HE2 PHE 19 HE2 PHE 19 2.838 -11.027 -3.998 159 HZ PHE 19 HZ PHE 19 3.684 -10.455 -6.267 160 H ASN 20 H ASN 20 -0.085 -6.842 -5.451 161 HA ASN 20 HA ASN 20 -2.206 -8.393 -4.079 162 HB2 ASN 20 HB2 ASN 20 -2.721 -6.875 -6.022 163 HB3 ASN 20 HB3 ASN 20 -1.828 -8.004 -7.057 164 HD21 ASN 20 HD21 ASN 20 -5.635 -8.825 -6.173 165 HD22 ASN 20 HD22 ASN 20 -4.887 -7.236 -6.045 166 H HIS 21 H HIS 21 -1.776 -10.430 -3.496 167 HA HIS 21 HA HIS 21 0.592 -11.800 -4.456 168 HB2 HIS 21 HB2 HIS 21 0.242 -13.293 -2.762 169 HB3 HIS 21 HB3 HIS 21 -0.524 -11.845 -2.109 170 HD2 HIS 21 HD2 HIS 21 -3.109 -12.034 -1.493 171 HE1 HIS 21 HE1 HIS 21 -3.722 -16.079 -2.683 172 HE2 HIS 21 HE2 HIS 21 -4.740 -14.099 -1.449 173 H ILE 22 H ILE 22 -2.690 -11.806 -5.572 174 HA ILE 22 HA ILE 22 -2.570 -14.436 -6.882 175 HB ILE 22 HB ILE 22 -4.674 -12.230 -7.006 176 HG12 ILE 22 HG12 ILE 22 -4.532 -14.668 -5.167 177 HG13 ILE 22 HG13 ILE 22 -4.324 -12.979 -4.668 178 HG21 ILE 22 HG21 ILE 22 -4.835 -13.854 -8.860 179 HG22 ILE 22 HG22 ILE 22 -4.859 -15.193 -7.690 180 HG23 ILE 22 HG23 ILE 22 -6.192 -14.016 -7.763 181 HD11 ILE 22 HD11 ILE 22 -6.891 -14.276 -5.602 182 HD12 ILE 22 HD12 ILE 22 -6.492 -13.590 -4.018 183 HD13 ILE 22 HD13 ILE 22 -6.678 -12.515 -5.419 184 H THR 23 H THR 23 -2.523 -11.002 -7.767 185 HA THR 23 HA THR 23 -2.121 -11.664 -10.632 186 HB THR 23 HB THR 23 -3.130 -9.643 -11.210 187 HG1 THR 23 HG1 THR 23 -3.849 -8.357 -9.248 188 HG21 THR 23 HG21 THR 23 -4.748 -11.366 -10.317 189 HG22 THR 23 HG22 THR 23 -4.730 -10.509 -8.759 190 HG23 THR 23 HG23 THR 23 -5.318 -9.693 -10.222 191 H ASN 24 H ASN 24 -0.190 -10.659 -8.121 192 HA ASN 24 HA ASN 24 1.826 -9.782 -7.890 193 HB2 ASN 24 HB2 ASN 24 2.229 -10.381 -10.837 194 HB3 ASN 24 HB3 ASN 24 3.503 -10.024 -9.662 195 HD21 ASN 24 HD21 ASN 24 1.996 -12.559 -11.196 196 HD22 ASN 24 HD22 ASN 24 2.378 -13.808 -10.006 197 H ALA 25 H ALA 25 -0.465 -7.978 -8.911 198 HA ALA 25 HA ALA 25 0.854 -5.632 -9.976 199 HB1 ALA 25 HB1 ALA 25 -1.280 -4.536 -9.442 200 HB2 ALA 25 HB2 ALA 25 -1.567 -6.095 -10.241 201 HB3 ALA 25 HB3 ALA 25 -1.789 -5.942 -8.484 202 H SER 26 H SER 26 1.337 -3.664 -8.871 203 HA SER 26 HA SER 26 1.515 -3.707 -5.911 204 HB2 SER 26 HB2 SER 26 3.810 -2.790 -5.979 205 HB3 SER 26 HB3 SER 26 3.700 -4.458 -6.534 206 HG SER 26 HG SER 26 3.817 -2.158 -8.217 207 H GLN 27 H GLN 27 1.351 -1.715 -4.908 208 HA GLN 27 HA GLN 27 1.321 0.781 -6.449 209 HB2 GLN 27 HB2 GLN 27 -0.898 -0.140 -6.937 210 HB3 GLN 27 HB3 GLN 27 -1.200 -0.390 -5.217 211 HG2 GLN 27 HG2 GLN 27 -2.410 1.547 -6.088 212 HG3 GLN 27 HG3 GLN 27 -1.280 1.997 -4.822 213 HE21 GLN 27 HE21 GLN 27 -1.484 1.835 -8.444 214 HE22 GLN 27 HE22 GLN 27 -0.411 3.220 -8.674 215 H PHE 28 H PHE 28 1.556 2.579 -5.178 216 HA PHE 28 HA PHE 28 2.378 2.098 -2.392 217 HB2 PHE 28 HB2 PHE 28 3.995 3.254 -3.544 218 HB3 PHE 28 HB3 PHE 28 2.829 4.355 -4.287 219 HD1 PHE 28 HD1 PHE 28 4.647 3.567 -1.152 220 HD2 PHE 28 HD2 PHE 28 2.039 6.356 -3.163 221 HE1 PHE 28 HE1 PHE 28 5.069 5.244 0.629 222 HE2 PHE 28 HE2 PHE 28 2.459 8.031 -1.376 223 HZ PHE 28 HZ PHE 28 3.975 7.479 0.521 224 H GLU 29 H GLU 29 -0.200 3.844 -4.000 225 HA GLU 29 HA GLU 29 -1.381 4.860 -1.547 226 HB2 GLU 29 HB2 GLU 29 -1.829 6.030 -3.570 227 HB3 GLU 29 HB3 GLU 29 -2.286 4.560 -4.415 228 HG2 GLU 29 HG2 GLU 29 -4.206 5.925 -4.059 229 HG3 GLU 29 HG3 GLU 29 -4.379 4.411 -3.192 230 H ARG 30 H ARG 30 -3.158 4.099 -0.420 231 HA ARG 30 HA ARG 30 -3.321 1.268 -0.030 232 HB2 ARG 30 HB2 ARG 30 -3.561 2.820 1.753 233 HB3 ARG 30 HB3 ARG 30 -4.956 3.594 1.027 234 HG2 ARG 30 HG2 ARG 30 -5.106 0.635 1.640 235 HG3 ARG 30 HG3 ARG 30 -5.133 1.777 2.991 236 HD2 ARG 30 HD2 ARG 30 -7.260 2.372 2.638 237 HD3 ARG 30 HD3 ARG 30 -6.974 2.698 0.937 238 HE ARG 30 HE ARG 30 -7.586 0.521 0.332 239 HH11 ARG 30 HH11 ARG 30 -7.903 0.760 3.839 240 HH12 ARG 30 HH12 ARG 30 -8.948 -0.645 3.867 241 HH21 ARG 30 HH21 ARG 30 -8.823 -1.157 0.484 242 HH22 ARG 30 HH22 ARG 30 -9.432 -1.717 2.051 243 HA PRO 31 HA PRO 31 -5.964 0.638 -3.551 244 HB2 PRO 31 HB2 PRO 31 -6.154 -2.093 -3.587 245 HB3 PRO 31 HB3 PRO 31 -4.651 -1.212 -3.987 246 HG2 PRO 31 HG2 PRO 31 -5.438 -2.441 -1.331 247 HG3 PRO 31 HG3 PRO 31 -3.888 -2.623 -2.215 248 HD2 PRO 31 HD2 PRO 31 -4.167 -0.827 -0.198 249 HD3 PRO 31 HD3 PRO 31 -3.194 -0.448 -1.651 250 H SER 32 H SER 32 -8.102 0.252 -4.136 251 HA SER 32 HA SER 32 -10.020 -0.977 -2.301 252 HB2 SER 32 HB2 SER 32 -11.456 0.994 -2.083 253 HB3 SER 32 HB3 SER 32 -9.885 1.258 -1.322 254 HG SER 32 HG SER 32 -9.263 2.507 -3.058 255 H GLY 33 H GLY 33 -12.214 -1.060 -3.197 256 HA2 GLY 33 HA2 GLY 33 -12.834 -0.445 -5.946 257 HA3 GLY 33 HA3 GLY 33 -12.346 -2.133 -5.784 258 H1' ALL 101 H1 ALL 34 11.990 2.068 -0.505 259 H2' ALL 101 H2 ALL 34 13.714 4.263 -1.782 260 H3' ALL 101 H3 ALL 34 11.657 4.964 -2.938 261 H4' ALL 101 H4 ALL 34 13.089 3.391 -4.125 262 H5' ALL 101 H5 ALL 34 11.488 1.146 -2.815 263 H6'1 ALL 101 H62 ALL 34 12.430 0.641 -5.135 264 H6'2 ALL 101 H61 ALL 34 13.023 -0.404 -3.828 265 HO'2 ALL 101 H2O ALL 34 11.581 4.416 0.133 266 HO'3 ALL 101 H3O ALL 34 9.884 3.381 -2.850 267 HO'4 ALL 101 H4O ALL 34 11.490 2.653 -5.517 268 HO'6 ALL 101 H6O ALL 34 14.822 1.083 -3.636 Start of MODEL 20 1 H1 LYS 1 H1 LYS 1 -11.082 -7.189 5.739 2 H2 LYS 1 H2 LYS 1 -10.433 -8.113 4.552 3 H3 LYS 1 H3 LYS 1 -11.250 -6.745 4.174 4 HA LYS 1 HA LYS 1 -9.596 -5.370 5.237 5 HB2 LYS 1 HB2 LYS 1 -9.032 -7.209 6.894 6 HB3 LYS 1 HB3 LYS 1 -8.024 -7.954 5.671 7 HG2 LYS 1 HG2 LYS 1 -7.689 -5.143 6.820 8 HG3 LYS 1 HG3 LYS 1 -6.830 -6.565 7.380 9 HD2 LYS 1 HD2 LYS 1 -6.520 -5.219 4.675 10 HD3 LYS 1 HD3 LYS 1 -5.388 -5.176 6.002 11 HE2 LYS 1 HE2 LYS 1 -6.150 -7.713 4.473 12 HE3 LYS 1 HE3 LYS 1 -4.730 -6.718 4.157 13 HZ1 LYS 1 HZ1 LYS 1 -5.234 -8.226 6.654 14 HZ2 LYS 1 HZ2 LYS 1 -4.053 -8.477 5.525 15 HZ3 LYS 1 HZ3 LYS 1 -4.005 -7.150 6.447 16 H LEU 2 H LEU 2 -9.092 -4.358 3.424 17 HA LEU 2 HA LEU 2 -8.487 -3.803 1.362 18 HB2 LEU 2 HB2 LEU 2 -6.471 -6.013 1.826 19 HB3 LEU 2 HB3 LEU 2 -6.518 -5.151 0.299 20 HG LEU 2 HG LEU 2 -6.247 -3.673 2.935 21 HD11 LEU 2 HD11 LEU 2 -4.369 -5.275 2.690 22 HD12 LEU 2 HD12 LEU 2 -4.032 -4.627 1.071 23 HD13 LEU 2 HD13 LEU 2 -3.834 -3.601 2.511 24 HD21 LEU 2 HD21 LEU 2 -6.903 -2.279 0.993 25 HD22 LEU 2 HD22 LEU 2 -5.238 -1.944 1.482 26 HD23 LEU 2 HD23 LEU 2 -5.548 -2.956 0.055 27 HA PRO 3 HA PRO 3 -10.799 -6.035 -1.671 28 HB2 PRO 3 HB2 PRO 3 -8.974 -5.295 -3.890 29 HB3 PRO 3 HB3 PRO 3 -10.678 -4.833 -3.623 30 HG2 PRO 3 HG2 PRO 3 -8.589 -3.080 -3.318 31 HG3 PRO 3 HG3 PRO 3 -10.086 -2.992 -2.321 32 HD2 PRO 3 HD2 PRO 3 -7.415 -4.203 -1.613 33 HD3 PRO 3 HD3 PRO 3 -8.487 -3.152 -0.635 34 HA PRO 4 HA PRO 4 -9.401 -10.048 -2.520 35 HB2 PRO 4 HB2 PRO 4 -9.833 -9.694 -5.495 36 HB3 PRO 4 HB3 PRO 4 -10.312 -11.063 -4.440 37 HG2 PRO 4 HG2 PRO 4 -12.138 -9.187 -5.094 38 HG3 PRO 4 HG3 PRO 4 -12.021 -9.738 -3.388 39 HD2 PRO 4 HD2 PRO 4 -10.875 -7.230 -4.642 40 HD3 PRO 4 HD3 PRO 4 -11.743 -7.426 -3.087 41 H GLY 5 H GLY 5 -7.436 -10.776 -2.296 42 HA2 GLY 5 HA2 GLY 5 -5.316 -11.514 -2.828 43 HA3 GLY 5 HA3 GLY 5 -5.386 -10.639 -4.367 44 H TRP 6 H TRP 6 -6.056 -8.099 -2.529 45 HA TRP 6 HA TRP 6 -3.295 -7.192 -2.483 46 HB2 TRP 6 HB2 TRP 6 -5.872 -5.871 -1.679 47 HB3 TRP 6 HB3 TRP 6 -4.290 -5.089 -1.556 48 HD1 TRP 6 HD1 TRP 6 -6.941 -6.116 -4.029 49 HE1 TRP 6 HE1 TRP 6 -6.462 -5.143 -6.355 50 HE3 TRP 6 HE3 TRP 6 -2.201 -4.366 -3.201 51 HZ2 TRP 6 HZ2 TRP 6 -4.222 -4.012 -7.744 52 HZ3 TRP 6 HZ3 TRP 6 -0.897 -3.355 -5.091 53 HH2 TRP 6 HH2 TRP 6 -1.891 -3.188 -7.344 54 H GLU 7 H GLU 7 -1.917 -6.840 -0.868 55 HA GLU 7 HA GLU 7 -2.744 -6.823 1.957 56 HB2 GLU 7 HB2 GLU 7 -2.329 -9.217 1.378 57 HB3 GLU 7 HB3 GLU 7 -0.709 -8.800 0.833 58 HG2 GLU 7 HG2 GLU 7 -0.724 -9.850 3.055 59 HG3 GLU 7 HG3 GLU 7 -0.035 -8.238 3.105 60 H LYS 8 H LYS 8 -1.043 -5.954 3.367 61 HA LYS 8 HA LYS 8 0.594 -3.896 2.107 62 HB2 LYS 8 HB2 LYS 8 0.277 -4.844 4.962 63 HB3 LYS 8 HB3 LYS 8 1.570 -3.723 4.501 64 HG2 LYS 8 HG2 LYS 8 -0.055 -2.146 3.551 65 HG3 LYS 8 HG3 LYS 8 -1.375 -3.261 3.916 66 HD2 LYS 8 HD2 LYS 8 -1.382 -1.562 5.601 67 HD3 LYS 8 HD3 LYS 8 -0.800 -3.047 6.368 68 HE2 LYS 8 HE2 LYS 8 1.559 -2.226 6.097 69 HE3 LYS 8 HE3 LYS 8 0.941 -0.758 5.331 70 HZ1 LYS 8 HZ1 LYS 8 0.350 -1.598 8.119 71 HZ2 LYS 8 HZ2 LYS 8 1.386 -0.413 7.694 72 HZ3 LYS 8 HZ3 LYS 8 -0.212 -0.236 7.411 73 H ARG 9 H ARG 9 2.689 -3.650 1.931 74 HA ARG 9 HA ARG 9 4.595 -5.910 2.263 75 HB2 ARG 9 HB2 ARG 9 3.344 -5.923 -0.019 76 HB3 ARG 9 HB3 ARG 9 4.187 -4.426 -0.372 77 HG2 ARG 9 HG2 ARG 9 5.321 -6.219 -1.452 78 HG3 ARG 9 HG3 ARG 9 6.375 -5.684 -0.130 79 HD2 ARG 9 HD2 ARG 9 5.579 -7.599 1.247 80 HD3 ARG 9 HD3 ARG 9 4.520 -8.116 -0.078 81 HE ARG 9 HE ARG 9 7.423 -8.460 0.158 82 HH11 ARG 9 HH11 ARG 9 4.807 -8.476 -2.190 83 HH12 ARG 9 HH12 ARG 9 5.729 -9.411 -3.329 84 HH21 ARG 9 HH21 ARG 9 8.523 -9.647 -1.346 85 HH22 ARG 9 HH22 ARG 9 7.768 -10.051 -2.863 86 H MET 10 H MET 10 6.902 -5.138 1.893 87 HA MET 10 HA MET 10 7.300 -2.253 1.982 88 HB2 MET 10 HB2 MET 10 8.397 -2.173 4.168 89 HB3 MET 10 HB3 MET 10 6.685 -2.609 4.286 90 HG2 MET 10 HG2 MET 10 7.326 -5.002 4.563 91 HG3 MET 10 HG3 MET 10 9.026 -4.544 4.452 92 HE1 MET 10 HE1 MET 10 6.210 -3.654 8.025 93 HE2 MET 10 HE2 MET 10 5.947 -2.867 6.457 94 HE3 MET 10 HE3 MET 10 5.792 -4.634 6.604 95 H PHE 11 H PHE 11 9.217 -1.531 1.503 96 HA PHE 11 HA PHE 11 11.191 -3.282 0.301 97 HB2 PHE 11 HB2 PHE 11 10.990 -0.286 0.653 98 HB3 PHE 11 HB3 PHE 11 12.353 -1.078 -0.145 99 HD1 PHE 11 HD1 PHE 11 9.151 0.389 -0.704 100 HD2 PHE 11 HD2 PHE 11 11.765 -2.763 -2.089 101 HE1 PHE 11 HE1 PHE 11 7.966 0.347 -2.877 102 HE2 PHE 11 HE2 PHE 11 10.570 -2.789 -4.266 103 HZ PHE 11 HZ PHE 11 8.673 -1.227 -4.664 104 H ALA 12 H ALA 12 13.497 -3.222 0.701 105 HA ALA 12 HA ALA 12 14.195 -3.802 3.390 106 HB1 ALA 12 HB1 ALA 12 15.324 -4.719 1.395 107 HB2 ALA 12 HB2 ALA 12 15.961 -3.104 1.000 108 HB3 ALA 12 HB3 ALA 12 16.486 -3.935 2.480 109 H ASN 13 H ASN 13 14.146 -0.715 1.754 110 HA ASN 13 HA ASN 13 15.796 0.681 3.739 111 HB2 ASN 13 HB2 ASN 13 15.240 2.691 2.427 112 HB3 ASN 13 HB3 ASN 13 15.877 1.376 1.428 113 HD21 ASN 13 HD21 ASN 13 14.989 2.410 -0.408 114 H GLY 14 H GLY 14 12.730 -0.555 4.040 115 HA2 GLY 14 HA2 GLY 14 11.311 -0.288 5.860 116 HA3 GLY 14 HA3 GLY 14 12.073 1.259 6.271 117 H THR 15 H THR 15 10.996 0.877 2.967 118 HA THR 15 HA THR 15 8.814 2.855 3.400 119 HB THR 15 HB THR 15 10.027 1.767 0.839 120 HG1 THR 15 HG1 THR 15 11.506 2.924 1.742 121 HG21 THR 15 HG21 THR 15 8.063 4.042 1.297 122 HG22 THR 15 HG22 THR 15 8.984 3.783 -0.204 123 HG23 THR 15 HG23 THR 15 7.821 2.565 0.325 124 H VAL 16 H VAL 16 6.706 2.340 3.367 125 HA VAL 16 HA VAL 16 5.895 -0.474 2.883 126 HB VAL 16 HB VAL 16 4.481 1.885 4.177 127 HG11 VAL 16 HG11 VAL 16 2.788 0.261 4.955 128 HG12 VAL 16 HG12 VAL 16 2.743 0.451 3.207 129 HG13 VAL 16 HG13 VAL 16 3.506 -0.993 3.916 130 HG21 VAL 16 HG21 VAL 16 4.719 0.560 6.249 131 HG22 VAL 16 HG22 VAL 16 5.590 -0.699 5.354 132 HG23 VAL 16 HG23 VAL 16 6.305 0.918 5.548 133 H TYR 17 H TYR 17 4.377 -1.108 1.460 134 HA TYR 17 HA TYR 17 2.827 0.735 -0.204 135 HB2 TYR 17 HB2 TYR 17 3.655 -0.055 -2.315 136 HB3 TYR 17 HB3 TYR 17 4.993 0.580 -1.414 137 HD1 TYR 17 HD1 TYR 17 6.622 -1.072 -0.264 138 HD2 TYR 17 HD2 TYR 17 3.729 -2.235 -3.248 139 HE1 TYR 17 HE1 TYR 17 8.004 -3.064 -0.844 140 HE2 TYR 17 HE2 TYR 17 5.100 -4.230 -3.805 141 HH TYR 17 HH TYR 17 7.095 -5.298 -3.471 142 H TYR 18 H TYR 18 1.721 -0.972 -1.953 143 HA TYR 18 HA TYR 18 0.625 -3.243 -0.343 144 HB2 TYR 18 HB2 TYR 18 -0.854 -1.397 -2.247 145 HB3 TYR 18 HB3 TYR 18 -1.535 -2.778 -1.372 146 HD1 TYR 18 HD1 TYR 18 -2.082 -2.633 1.008 147 HD2 TYR 18 HD2 TYR 18 -0.217 0.668 -1.049 148 HE1 TYR 18 HE1 TYR 18 -2.573 -1.134 2.946 149 HE2 TYR 18 HE2 TYR 18 -0.647 2.141 0.896 150 HH TYR 18 HH TYR 18 -1.530 2.284 3.000 151 H PHE 19 H PHE 19 0.269 -5.145 -1.358 152 HA PHE 19 HA PHE 19 1.114 -5.458 -4.209 153 HB2 PHE 19 HB2 PHE 19 3.052 -5.836 -2.808 154 HB3 PHE 19 HB3 PHE 19 2.137 -6.970 -1.795 155 HD1 PHE 19 HD1 PHE 19 3.287 -6.367 -5.277 156 HD2 PHE 19 HD2 PHE 19 2.023 -9.323 -2.402 157 HE1 PHE 19 HE1 PHE 19 3.848 -8.140 -6.877 158 HE2 PHE 19 HE2 PHE 19 2.669 -11.122 -3.985 159 HZ PHE 19 HZ PHE 19 3.574 -10.550 -6.231 160 H ASN 20 H ASN 20 -0.018 -6.895 -5.397 161 HA ASN 20 HA ASN 20 -2.217 -8.367 -4.047 162 HB2 ASN 20 HB2 ASN 20 -2.659 -6.785 -5.964 163 HB3 ASN 20 HB3 ASN 20 -1.825 -7.938 -7.019 164 HD21 ASN 20 HD21 ASN 20 -4.830 -7.021 -6.121 165 HD22 ASN 20 HD22 ASN 20 -5.667 -8.563 -6.159 166 H HIS 21 H HIS 21 -1.823 -10.429 -3.491 167 HA HIS 21 HA HIS 21 0.474 -11.864 -4.526 168 HB2 HIS 21 HB2 HIS 21 0.113 -13.368 -2.854 169 HB3 HIS 21 HB3 HIS 21 -0.622 -11.924 -2.159 170 HD2 HIS 21 HD2 HIS 21 -3.190 -12.101 -1.494 171 HE1 HIS 21 HE1 HIS 21 -3.893 -16.094 -2.807 172 HE2 HIS 21 HE2 HIS 21 -4.852 -14.141 -1.484 173 H ILE 22 H ILE 22 -2.839 -11.742 -5.563 174 HA ILE 22 HA ILE 22 -2.820 -14.336 -6.949 175 HB ILE 22 HB ILE 22 -4.848 -12.057 -6.938 176 HG12 ILE 22 HG12 ILE 22 -4.770 -14.627 -5.278 177 HG13 ILE 22 HG13 ILE 22 -4.474 -12.991 -4.664 178 HG21 ILE 22 HG21 ILE 22 -5.148 -14.956 -7.824 179 HG22 ILE 22 HG22 ILE 22 -6.446 -13.740 -7.776 180 HG23 ILE 22 HG23 ILE 22 -5.111 -13.535 -8.893 181 HD11 ILE 22 HD11 ILE 22 -6.824 -12.374 -5.338 182 HD12 ILE 22 HD12 ILE 22 -7.115 -14.110 -5.617 183 HD13 ILE 22 HD13 ILE 22 -6.652 -13.533 -4.005 184 H THR 23 H THR 23 -2.675 -10.886 -7.742 185 HA THR 23 HA THR 23 -2.342 -11.484 -10.626 186 HB THR 23 HB THR 23 -3.289 -9.439 -11.152 187 HG1 THR 23 HG1 THR 23 -3.873 -8.166 -9.094 188 HG21 THR 23 HG21 THR 23 -5.435 -9.358 -10.077 189 HG22 THR 23 HG22 THR 23 -4.966 -11.063 -10.186 190 HG23 THR 23 HG23 THR 23 -4.838 -10.201 -8.634 191 H ASN 24 H ASN 24 -0.327 -10.628 -8.127 192 HA ASN 24 HA ASN 24 1.730 -9.852 -7.903 193 HB2 ASN 24 HB2 ASN 24 2.061 -10.440 -10.862 194 HB3 ASN 24 HB3 ASN 24 3.371 -10.124 -9.716 195 HD21 ASN 24 HD21 ASN 24 1.724 -12.611 -11.199 196 HD22 ASN 24 HD22 ASN 24 2.104 -13.868 -10.017 197 H ALA 25 H ALA 25 -0.488 -7.928 -8.902 198 HA ALA 25 HA ALA 25 0.947 -5.635 -9.928 199 HB1 ALA 25 HB1 ALA 25 -1.732 -5.848 -8.490 200 HB2 ALA 25 HB2 ALA 25 -1.147 -4.451 -9.419 201 HB3 ALA 25 HB3 ALA 25 -1.480 -5.985 -10.245 202 H SER 26 H SER 26 1.439 -3.676 -8.807 203 HA SER 26 HA SER 26 1.618 -3.737 -5.851 204 HB2 SER 26 HB2 SER 26 3.957 -2.959 -5.902 205 HB3 SER 26 HB3 SER 26 3.762 -4.607 -6.506 206 HG SER 26 HG SER 26 3.940 -2.292 -8.157 207 H GLN 27 H GLN 27 1.373 -1.711 -4.882 208 HA GLN 27 HA GLN 27 1.650 0.748 -6.462 209 HB2 GLN 27 HB2 GLN 27 -0.599 1.437 -6.430 210 HB3 GLN 27 HB3 GLN 27 -0.610 -0.213 -7.062 211 HG2 GLN 27 HG2 GLN 27 -1.442 -1.075 -4.934 212 HG3 GLN 27 HG3 GLN 27 -1.305 0.513 -4.197 213 HE21 GLN 27 HE21 GLN 27 -3.263 1.446 -3.980 214 HE22 GLN 27 HE22 GLN 27 -4.527 1.436 -5.223 215 H PHE 28 H PHE 28 1.494 2.708 -5.202 216 HA PHE 28 HA PHE 28 2.369 2.261 -2.437 217 HB2 PHE 28 HB2 PHE 28 2.523 4.640 -4.269 218 HB3 PHE 28 HB3 PHE 28 2.901 4.734 -2.546 219 HD1 PHE 28 HD1 PHE 28 4.082 3.564 -5.805 220 HD2 PHE 28 HD2 PHE 28 4.807 3.459 -1.550 221 HE1 PHE 28 HE1 PHE 28 6.408 2.795 -6.219 222 HE2 PHE 28 HE2 PHE 28 7.133 2.697 -1.974 223 HZ PHE 28 HZ PHE 28 7.938 2.373 -4.303 224 H GLU 29 H GLU 29 -0.371 3.942 -3.915 225 HA GLU 29 HA GLU 29 -1.405 4.859 -1.334 226 HB2 GLU 29 HB2 GLU 29 -3.192 5.770 -2.554 227 HB3 GLU 29 HB3 GLU 29 -1.735 6.142 -3.443 228 HG2 GLU 29 HG2 GLU 29 -3.701 3.915 -4.170 229 HG3 GLU 29 HG3 GLU 29 -3.776 5.550 -4.786 230 H ARG 30 H ARG 30 -3.463 4.133 -0.404 231 HA ARG 30 HA ARG 30 -3.515 1.307 -0.131 232 HB2 ARG 30 HB2 ARG 30 -4.263 3.088 1.551 233 HB3 ARG 30 HB3 ARG 30 -5.786 3.137 0.666 234 HG2 ARG 30 HG2 ARG 30 -5.427 0.390 1.066 235 HG3 ARG 30 HG3 ARG 30 -4.659 1.079 2.504 236 HD2 ARG 30 HD2 ARG 30 -6.910 0.661 3.098 237 HD3 ARG 30 HD3 ARG 30 -6.802 2.414 2.857 238 HE ARG 30 HE ARG 30 -7.630 0.776 0.516 239 HH11 ARG 30 HH11 ARG 30 -9.494 1.078 -0.403 240 HH12 ARG 30 HH12 ARG 30 -10.760 2.046 0.339 241 HH21 ARG 30 HH21 ARG 30 -10.397 2.999 2.316 242 HH22 ARG 30 HH22 ARG 30 -8.872 2.774 3.135 243 HA PRO 31 HA PRO 31 -5.989 0.223 -3.754 244 HB2 PRO 31 HB2 PRO 31 -6.319 -2.316 -2.166 245 HB3 PRO 31 HB3 PRO 31 -5.962 -2.125 -3.911 246 HG2 PRO 31 HG2 PRO 31 -3.985 -2.718 -2.154 247 HG3 PRO 31 HG3 PRO 31 -3.704 -1.498 -3.441 248 HD2 PRO 31 HD2 PRO 31 -4.330 -1.058 -0.519 249 HD3 PRO 31 HD3 PRO 31 -3.187 -0.204 -1.586 250 H SER 32 H SER 32 -8.161 -0.325 -4.350 251 HA SER 32 HA SER 32 -10.266 -0.449 -2.294 252 HB2 SER 32 HB2 SER 32 -9.774 1.998 -2.650 253 HB3 SER 32 HB3 SER 32 -10.233 1.793 -4.351 254 HG SER 32 HG SER 32 -11.985 2.506 -3.072 255 H GLY 33 H GLY 33 -12.332 -1.024 -3.157 256 HA2 GLY 33 HA2 GLY 33 -12.914 -1.687 -5.876 257 HA3 GLY 33 HA3 GLY 33 -12.285 -3.124 -5.068 258 H1' ALL 101 H1 ALL 34 12.061 1.949 -0.755 259 H2' ALL 101 H2 ALL 34 13.953 3.855 -2.248 260 H3' ALL 101 H3 ALL 34 12.039 4.449 -3.652 261 H4' ALL 101 H4 ALL 34 13.380 2.618 -4.518 262 H5' ALL 101 H5 ALL 34 11.616 0.689 -2.950 263 H6'1 ALL 101 H62 ALL 34 12.713 -0.136 -5.144 264 H6'2 ALL 101 H61 ALL 34 13.091 -1.052 -3.673 265 HO'2 ALL 101 H2O ALL 34 13.051 4.635 -0.210 266 HO'3 ALL 101 H3O ALL 34 10.459 3.953 -1.983 267 HO'4 ALL 101 H4O ALL 34 10.565 2.345 -4.604 268 HO'6 ALL 101 H6O ALL 34 14.956 0.376 -3.460
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