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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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6460 |
1j3s ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 -8.908 11.289 7.675 2 2H GLY 1 2HT GLY 1 -10.244 10.848 8.627 3 3H GLY 1 3HT GLY 1 -10.452 11.197 6.978 4 1HA GLY 1 1HA GLY 1 -9.200 9.264 6.344 5 2HA GLY 1 2HA GLY 1 -8.859 8.930 8.043 6 H ASP 2 H ASP 2 -10.532 7.551 5.803 7 HA ASP 2 HA ASP 2 -12.655 6.676 7.626 8 1HB ASP 2 2HB ASP 2 -13.175 8.672 5.604 9 2HB ASP 2 1HB ASP 2 -14.065 7.195 5.232 10 H VAL 3 H VAL 3 -14.053 4.968 6.382 11 HA VAL 3 HA VAL 3 -12.141 3.275 4.860 12 HB VAL 3 HB VAL 3 -14.806 2.581 6.134 13 1HG1 VAL 3 1HG1 VAL 3 -12.720 0.582 5.338 14 2HG1 VAL 3 2HG1 VAL 3 -13.771 1.245 4.086 15 3HG1 VAL 3 3HG1 VAL 3 -14.469 0.386 5.460 16 1HG2 VAL 3 1HG2 VAL 3 -12.109 1.635 7.070 17 2HG2 VAL 3 2HG2 VAL 3 -13.613 1.779 7.980 18 3HG2 VAL 3 3HG2 VAL 3 -12.692 3.225 7.565 19 H GLU 4 H GLU 4 -15.548 4.358 4.708 20 HA GLU 4 HA GLU 4 -15.977 3.317 2.054 21 1HB GLU 4 2HB GLU 4 -17.468 5.657 3.249 22 2HB GLU 4 1HB GLU 4 -18.069 4.433 2.130 23 1HG GLU 4 2HG GLU 4 -17.047 3.173 4.525 24 2HG GLU 4 1HG GLU 4 -18.250 4.393 4.943 25 H LYS 5 H LYS 5 -14.199 5.980 3.192 26 HA LYS 5 HA LYS 5 -14.593 7.600 0.757 27 1HB LYS 5 2HB LYS 5 -12.932 7.930 3.259 28 2HB LYS 5 1HB LYS 5 -12.752 9.010 1.876 29 1HG LYS 5 2HG LYS 5 -15.552 8.580 2.619 30 2HG LYS 5 1HG LYS 5 -14.606 9.310 3.916 31 1HD LYS 5 2HD LYS 5 -15.261 11.195 2.713 32 2HD LYS 5 1HD LYS 5 -13.689 10.852 1.991 33 1HE LYS 5 2HE LYS 5 -14.599 10.130 0.011 34 2HE LYS 5 1HE LYS 5 -16.040 9.476 0.790 35 1HZ LYS 5 1HZ LYS 5 -15.673 12.000 -0.420 36 2HZ LYS 5 2HZ LYS 5 -16.083 12.210 1.215 37 3HZ LYS 5 3HZ LYS 5 -17.096 11.309 0.190 38 H GLY 6 H GLY 6 -11.846 5.941 2.355 39 1HA GLY 6 1HA GLY 6 -9.951 6.326 0.292 40 2HA GLY 6 2HA GLY 6 -9.929 4.965 1.414 41 H LYS 7 H LYS 7 -12.532 3.937 0.610 42 HA LYS 7 HA LYS 7 -11.822 2.103 -1.385 43 1HB LYS 7 2HB LYS 7 -13.886 2.082 0.131 44 2HB LYS 7 1HB LYS 7 -14.637 3.156 -1.050 45 1HG LYS 7 2HG LYS 7 -14.903 1.493 -2.578 46 2HG LYS 7 1HG LYS 7 -13.331 0.779 -2.213 47 1HD LYS 7 2HD LYS 7 -15.259 -0.696 -1.578 48 2HD LYS 7 1HD LYS 7 -14.219 -0.283 -0.215 49 1HE LYS 7 2HE LYS 7 -16.103 1.787 -0.316 50 2HE LYS 7 1HE LYS 7 -17.033 0.321 -0.623 51 1HZ LYS 7 1HZ LYS 7 -15.426 -0.463 1.368 52 2HZ LYS 7 2HZ LYS 7 -16.997 0.141 1.594 53 3HZ LYS 7 3HZ LYS 7 -15.655 1.168 1.774 54 H LYS 8 H LYS 8 -13.409 5.269 -1.768 55 HA LYS 8 HA LYS 8 -13.599 4.991 -4.663 56 1HB LYS 8 2HB LYS 8 -14.878 6.576 -2.873 57 2HB LYS 8 1HB LYS 8 -13.650 7.702 -3.454 58 1HG LYS 8 2HG LYS 8 -14.326 7.176 -5.796 59 2HG LYS 8 1HG LYS 8 -15.617 6.153 -5.166 60 1HD LYS 8 2HD LYS 8 -16.635 8.266 -5.608 61 2HD LYS 8 1HD LYS 8 -16.410 8.204 -3.859 62 1HE LYS 8 2HE LYS 8 -14.070 9.272 -5.252 63 2HE LYS 8 1HE LYS 8 -15.521 10.235 -5.531 64 1HZ LYS 8 1HZ LYS 8 -15.667 10.816 -3.369 65 2HZ LYS 8 2HZ LYS 8 -13.991 10.539 -3.402 66 3HZ LYS 8 3HZ LYS 8 -15.041 9.346 -2.800 67 H ILE 9 H ILE 9 -11.216 6.175 -2.403 68 HA ILE 9 HA ILE 9 -9.743 7.821 -4.242 69 HB ILE 9 HB ILE 9 -8.549 6.288 -1.923 70 1HG1 ILE 9 2HG1 ILE 9 -10.142 8.873 -1.911 71 2HG1 ILE 9 1HG1 ILE 9 -10.592 7.363 -1.116 72 1HG2 ILE 9 1HG2 ILE 9 -6.756 7.612 -2.281 73 2HG2 ILE 9 2HG2 ILE 9 -7.765 9.057 -2.310 74 3HG2 ILE 9 3HG2 ILE 9 -7.518 8.124 -3.786 75 1HD1 ILE 9 1HD1 ILE 9 -8.495 9.355 -0.355 76 2HD1 ILE 9 2HD1 ILE 9 -8.196 7.655 0.010 77 3HD1 ILE 9 3HD1 ILE 9 -9.619 8.462 0.670 78 H PHE 10 H PHE 10 -8.897 4.537 -3.031 79 HA PHE 10 HA PHE 10 -6.923 4.078 -5.055 80 1HB PHE 10 2HB PHE 10 -7.150 2.748 -2.932 81 2HB PHE 10 1HB PHE 10 -8.587 1.988 -3.616 82 HD1 PHE 10 HD1 PHE 10 -4.925 2.237 -3.782 83 HD2 PHE 10 HD2 PHE 10 -8.416 0.460 -5.547 84 HE1 PHE 10 HE1 PHE 10 -3.493 0.604 -4.980 85 HE2 PHE 10 HE2 PHE 10 -6.967 -1.172 -6.743 86 HZ PHE 10 HZ PHE 10 -4.529 -1.099 -6.460 87 H ILE 11 H ILE 11 -10.387 3.329 -4.882 88 HA ILE 11 HA ILE 11 -10.510 1.868 -7.352 89 HB ILE 11 HB ILE 11 -12.619 3.423 -5.830 90 1HG1 ILE 11 2HG1 ILE 11 -12.116 0.441 -6.090 91 2HG1 ILE 11 1HG1 ILE 11 -11.603 1.420 -4.713 92 1HG2 ILE 11 1HG2 ILE 11 -12.662 2.216 -8.483 93 2HG2 ILE 11 2HG2 ILE 11 -13.878 3.219 -7.692 94 3HG2 ILE 11 3HG2 ILE 11 -13.853 1.478 -7.411 95 1HD1 ILE 11 1HD1 ILE 11 -14.063 2.142 -4.525 96 2HD1 ILE 11 2HD1 ILE 11 -13.686 0.485 -4.051 97 3HD1 ILE 11 3HD1 ILE 11 -14.419 0.809 -5.623 98 H MET 12 H MET 12 -10.070 5.187 -6.675 99 HA MET 12 HA MET 12 -10.825 5.877 -9.487 100 1HB MET 12 2HB MET 12 -12.071 6.964 -7.458 101 2HB MET 12 1HB MET 12 -10.601 7.922 -7.290 102 1HG MET 12 2HG MET 12 -10.858 8.907 -9.421 103 2HG MET 12 1HG MET 12 -11.996 7.669 -9.952 104 1HE MET 12 1HE MET 12 -11.587 11.146 -8.921 105 2HE MET 12 2HE MET 12 -13.276 11.600 -9.137 106 3HE MET 12 3HE MET 12 -12.451 10.683 -10.394 107 H LYS 13 H LYS 13 -8.193 5.188 -7.688 108 HA LYS 13 HA LYS 13 -6.537 7.260 -9.081 109 1HB LYS 13 2HB LYS 13 -6.684 6.753 -6.330 110 2HB LYS 13 1HB LYS 13 -5.193 5.971 -6.846 111 1HG LYS 13 2HG LYS 13 -4.314 8.061 -6.617 112 2HG LYS 13 1HG LYS 13 -5.022 8.323 -8.211 113 1HD LYS 13 2HD LYS 13 -6.798 8.720 -5.845 114 2HD LYS 13 1HD LYS 13 -5.565 9.944 -6.148 115 1HE LYS 13 2HE LYS 13 -6.389 10.275 -8.418 116 2HE LYS 13 1HE LYS 13 -7.550 8.964 -8.220 117 1HZ LYS 13 1HZ LYS 13 -7.741 10.918 -6.142 118 2HZ LYS 13 2HZ LYS 13 -8.953 10.294 -7.155 119 3HZ LYS 13 3HZ LYS 13 -7.995 11.596 -7.676 120 H CYS 14 H CYS 14 -6.034 4.065 -7.526 121 HA CYS 14 HA CYS 14 -4.479 3.298 -9.966 122 1HB CYS 14 2HB CYS 14 -3.974 1.617 -7.633 123 2HB CYS 14 1HB CYS 14 -2.823 2.479 -8.646 124 H SER 15 H SER 15 -7.320 3.029 -9.760 125 HA SER 15 HA SER 15 -7.817 0.176 -9.166 126 1HB SER 15 2HB SER 15 -9.378 2.286 -8.736 127 2HB SER 15 1HB SER 15 -9.870 1.970 -10.396 128 HG SER 15 HG SER 15 -9.769 -0.018 -8.375 129 H GLN 16 H GLN 16 -6.477 1.731 -11.696 130 HA GLN 16 HA GLN 16 -7.940 0.191 -13.780 131 1HB GLN 16 2HB GLN 16 -6.259 2.642 -13.763 132 2HB GLN 16 1HB GLN 16 -6.095 1.598 -15.176 133 1HG GLN 16 2HG GLN 16 -8.758 1.590 -15.021 134 2HG GLN 16 1HG GLN 16 -8.472 3.135 -14.219 135 1HE2 GLN 16 1HE2 GLN 16 -6.960 4.680 -15.479 136 2HE2 GLN 16 2HE2 GLN 16 -7.078 4.672 -17.172 137 H CYS 17 H CYS 17 -4.638 0.774 -12.567 138 HA CYS 17 HA CYS 17 -3.673 -1.565 -14.090 139 1HB CYS 17 2HB CYS 17 -2.364 0.628 -12.499 140 2HB CYS 17 1HB CYS 17 -1.473 -0.856 -12.836 141 H HIS 18 H HIS 18 -4.510 -0.626 -10.805 142 HA HIS 18 HA HIS 18 -3.728 -3.373 -9.892 143 1HB HIS 18 2HB HIS 18 -4.102 -0.846 -8.261 144 2HB HIS 18 1HB HIS 18 -3.706 -2.433 -7.604 145 HD1 HIS 18 HD1 HIS 18 -1.289 -3.155 -7.688 146 HD2 HIS 18 HD2 HIS 18 -2.008 0.286 -9.900 147 HE1 HIS 18 HE1 HIS 18 0.980 -2.249 -8.352 148 H THR 19 H THR 19 -5.822 -4.205 -10.659 149 HA THR 19 HA THR 19 -8.228 -3.075 -9.405 150 HB THR 19 HB THR 19 -9.453 -4.755 -10.669 151 HG1 THR 19 HG1 THR 19 -6.885 -5.810 -11.251 152 1HG2 THR 19 1HG2 THR 19 -7.205 -3.939 -12.501 153 2HG2 THR 19 2HG2 THR 19 -8.306 -2.735 -11.830 154 3HG2 THR 19 3HG2 THR 19 -8.932 -4.033 -12.848 155 H VAL 20 H VAL 20 -8.099 -3.449 -7.196 156 HA VAL 20 HA VAL 20 -7.333 -6.100 -6.189 157 HB VAL 20 HB VAL 20 -7.370 -5.114 -4.037 158 1HG1 VAL 20 1HG1 VAL 20 -6.713 -2.526 -5.070 159 2HG1 VAL 20 2HG1 VAL 20 -6.138 -3.742 -6.211 160 3HG1 VAL 20 3HG1 VAL 20 -5.617 -3.795 -4.527 161 1HG2 VAL 20 1HG2 VAL 20 -9.668 -4.182 -4.201 162 2HG2 VAL 20 2HG2 VAL 20 -9.053 -2.880 -5.219 163 3HG2 VAL 20 3HG2 VAL 20 -8.535 -3.004 -3.538 164 H GLU 21 H GLU 21 -9.939 -5.435 -7.773 165 HA GLU 21 HA GLU 21 -11.660 -7.116 -6.055 166 1HB GLU 21 2HB GLU 21 -13.586 -5.564 -6.350 167 2HB GLU 21 1HB GLU 21 -12.285 -4.842 -5.403 168 1HG GLU 21 2HG GLU 21 -11.425 -3.877 -7.626 169 2HG GLU 21 1HG GLU 21 -12.996 -4.322 -8.293 170 H LYS 22 H LYS 22 -10.246 -7.451 -8.635 171 HA LYS 22 HA LYS 22 -12.506 -7.544 -10.562 172 1HB LYS 22 2HB LYS 22 -10.318 -6.610 -11.312 173 2HB LYS 22 1HB LYS 22 -9.571 -8.176 -10.999 174 1HG LYS 22 2HG LYS 22 -10.730 -9.226 -12.743 175 2HG LYS 22 1HG LYS 22 -11.998 -8.000 -12.767 176 1HD LYS 22 2HD LYS 22 -9.584 -6.629 -13.294 177 2HD LYS 22 1HD LYS 22 -9.542 -8.089 -14.284 178 1HE LYS 22 2HE LYS 22 -11.545 -7.535 -15.401 179 2HE LYS 22 1HE LYS 22 -12.017 -6.372 -14.162 180 1HZ LYS 22 1HZ LYS 22 -9.573 -5.516 -15.090 181 2HZ LYS 22 2HZ LYS 22 -11.090 -4.824 -15.422 182 3HZ LYS 22 3HZ LYS 22 -10.429 -5.975 -16.482 183 H GLY 23 H GLY 23 -9.784 -9.808 -10.135 184 1HA GLY 23 2HA GLY 23 -11.287 -11.973 -9.066 185 2HA GLY 23 1HA GLY 23 -11.323 -12.101 -10.826 186 H GLY 24 H GLY 24 -8.783 -11.131 -8.494 187 1HA GLY 24 2HA GLY 24 -6.573 -11.878 -8.278 188 2HA GLY 24 1HA GLY 24 -7.181 -13.451 -8.793 189 H LYS 25 H LYS 25 -7.789 -10.876 -10.983 190 HA LYS 25 HA LYS 25 -5.722 -11.990 -12.810 191 1HB LYS 25 2HB LYS 25 -8.283 -11.653 -13.370 192 2HB LYS 25 1HB LYS 25 -7.786 -9.987 -13.664 193 1HG LYS 25 2HG LYS 25 -5.854 -11.134 -15.056 194 2HG LYS 25 1HG LYS 25 -6.985 -12.486 -15.116 195 1HD LYS 25 2HD LYS 25 -8.295 -9.935 -15.665 196 2HD LYS 25 1HD LYS 25 -6.997 -10.276 -16.809 197 1HE LYS 25 2HE LYS 25 -8.075 -12.680 -16.864 198 2HE LYS 25 1HE LYS 25 -9.505 -11.833 -16.276 199 1HZ LYS 25 1HZ LYS 25 -7.978 -11.207 -18.743 200 2HZ LYS 25 2HZ LYS 25 -9.285 -10.294 -18.155 201 3HZ LYS 25 3HZ LYS 25 -9.525 -11.898 -18.663 202 H HIS 26 H HIS 26 -3.891 -10.834 -13.120 203 HA HIS 26 HA HIS 26 -3.988 -7.895 -12.621 204 1HB HIS 26 2HB HIS 26 -1.483 -8.272 -11.998 205 2HB HIS 26 1HB HIS 26 -2.723 -8.634 -10.807 206 HD1 HIS 26 HD1 HIS 26 -2.139 -10.995 -13.678 207 HD2 HIS 26 HD2 HIS 26 -1.115 -10.693 -9.648 208 HE1 HIS 26 HE1 HIS 26 -1.162 -13.232 -13.019 209 H LYS 27 H LYS 27 -4.124 -7.307 -14.802 210 HA LYS 27 HA LYS 27 -2.341 -8.497 -16.769 211 1HB LYS 27 2HB LYS 27 -4.748 -7.568 -17.126 212 2HB LYS 27 1HB LYS 27 -3.946 -6.002 -17.241 213 1HG LYS 27 2HG LYS 27 -2.598 -6.737 -19.092 214 2HG LYS 27 1HG LYS 27 -3.116 -8.409 -18.876 215 1HD LYS 27 2HD LYS 27 -5.174 -8.044 -19.841 216 2HD LYS 27 1HD LYS 27 -5.246 -6.368 -19.298 217 1HE LYS 27 2HE LYS 27 -3.725 -5.655 -21.010 218 2HE LYS 27 1HE LYS 27 -3.324 -7.320 -21.433 219 1HZ LYS 27 1HZ LYS 27 -5.394 -5.726 -22.437 220 2HZ LYS 27 2HZ LYS 27 -6.096 -7.024 -21.595 221 3HZ LYS 27 3HZ LYS 27 -4.998 -7.321 -22.857 222 H THR 28 H THR 28 -2.845 -5.011 -16.131 223 HA THR 28 HA THR 28 -0.039 -4.519 -16.849 224 HB THR 28 HB THR 28 -2.148 -2.562 -15.892 225 HG1 THR 28 HG1 THR 28 -2.816 -2.487 -17.896 226 1HG2 THR 28 1HG2 THR 28 0.056 -1.615 -15.699 227 2HG2 THR 28 2HG2 THR 28 -0.666 -0.956 -17.168 228 3HG2 THR 28 3HG2 THR 28 0.526 -2.251 -17.276 229 H GLY 29 H GLY 29 -2.014 -3.506 -14.028 230 1HA GLY 29 2HA GLY 29 0.455 -3.271 -12.439 231 2HA GLY 29 1HA GLY 29 -1.156 -2.805 -11.912 232 HA PRO 30 HA PRO 30 0.171 -7.206 -10.499 233 1HB PRO 30 2HB PRO 30 1.178 -6.552 -8.019 234 2HB PRO 30 1HB PRO 30 2.173 -6.774 -9.469 235 1HG PRO 30 2HG PRO 30 1.280 -4.215 -8.171 236 2HG PRO 30 1HG PRO 30 2.811 -4.587 -8.989 237 1HD PRO 30 2HD PRO 30 0.781 -3.162 -10.194 238 2HD PRO 30 1HD PRO 30 1.958 -4.139 -11.088 239 H ASN 31 H ASN 31 -1.459 -8.287 -9.498 240 HA ASN 31 HA ASN 31 -3.822 -7.051 -8.615 241 1HB ASN 31 2HB ASN 31 -3.767 -9.421 -9.173 242 2HB ASN 31 1HB ASN 31 -2.677 -9.747 -7.826 243 1HD2 ASN 31 1HD2 ASN 31 -5.882 -8.136 -8.331 244 2HD2 ASN 31 2HD2 ASN 31 -6.584 -8.785 -6.928 245 H LEU 32 H LEU 32 -3.692 -5.477 -7.063 246 HA LEU 32 HA LEU 32 -2.041 -5.809 -4.680 247 1HB LEU 32 2HB LEU 32 -3.550 -3.653 -5.977 248 2HB LEU 32 1HB LEU 32 -3.690 -3.633 -4.221 249 HG LEU 32 HG LEU 32 -1.391 -3.309 -3.909 250 1HD1 LEU 32 1HD1 LEU 32 -1.212 -4.820 -6.442 251 2HD1 LEU 32 2HD1 LEU 32 -0.154 -4.858 -5.033 252 3HD1 LEU 32 3HD1 LEU 32 0.017 -3.575 -6.230 253 1HD2 LEU 32 1HD2 LEU 32 -2.430 -1.911 -6.342 254 2HD2 LEU 32 2HD2 LEU 32 -0.721 -1.724 -5.946 255 3HD2 LEU 32 3HD2 LEU 32 -1.955 -1.238 -4.782 256 H HIS 33 H HIS 33 -3.758 -7.929 -4.659 257 HA HIS 33 HA HIS 33 -6.099 -7.211 -2.996 258 1HB HIS 33 2HB HIS 33 -6.013 -8.991 -4.933 259 2HB HIS 33 1HB HIS 33 -5.320 -10.030 -3.688 260 HD1 HIS 33 HD1 HIS 33 -8.510 -8.675 -4.897 261 HD2 HIS 33 HD2 HIS 33 -7.089 -10.324 -1.341 262 HE1 HIS 33 HE1 HIS 33 -10.550 -9.291 -3.530 263 H GLY 34 H GLY 34 -2.854 -8.016 -2.559 264 1HA GLY 34 2HA GLY 34 -3.229 -8.315 0.318 265 2HA GLY 34 1HA GLY 34 -2.656 -9.790 -0.461 266 H LEU 35 H LEU 35 -1.821 -6.583 -1.605 267 HA LEU 35 HA LEU 35 0.948 -7.069 -1.776 268 1HB LEU 35 2HB LEU 35 -0.155 -5.204 -2.928 269 2HB LEU 35 1HB LEU 35 -0.491 -4.431 -1.379 270 HG LEU 35 HG LEU 35 2.279 -5.016 -1.394 271 1HD1 LEU 35 1HD1 LEU 35 1.893 -5.195 -3.912 272 2HD1 LEU 35 2HD1 LEU 35 3.098 -4.010 -3.405 273 3HD1 LEU 35 3HD1 LEU 35 1.483 -3.480 -3.877 274 1HD2 LEU 35 1HD2 LEU 35 2.426 -2.499 -1.434 275 2HD2 LEU 35 2HD2 LEU 35 1.286 -3.126 -0.243 276 3HD2 LEU 35 3HD2 LEU 35 0.694 -2.456 -1.763 277 H PHE 36 H PHE 36 -0.995 -6.053 0.956 278 HA PHE 36 HA PHE 36 1.216 -5.113 2.572 279 1HB PHE 36 2HB PHE 36 -1.605 -5.986 3.225 280 2HB PHE 36 1HB PHE 36 -0.472 -5.442 4.462 281 HD1 PHE 36 HD1 PHE 36 -0.311 -3.160 4.944 282 HD2 PHE 36 HD2 PHE 36 -1.862 -4.405 1.137 283 HE1 PHE 36 HE1 PHE 36 -0.829 -0.801 4.382 284 HE2 PHE 36 HE2 PHE 36 -2.380 -2.047 0.576 285 HZ PHE 36 HZ PHE 36 -1.865 -0.245 2.199 286 H GLY 37 H GLY 37 2.821 -6.457 3.242 287 1HA GLY 37 2HA GLY 37 3.546 -8.223 4.744 288 2HA GLY 37 1HA GLY 37 2.038 -9.075 4.419 289 H ARG 38 H ARG 38 2.526 -8.377 1.433 290 HA ARG 38 HA ARG 38 4.274 -10.732 0.958 291 1HB ARG 38 2HB ARG 38 3.187 -10.922 -1.171 292 2HB ARG 38 1HB ARG 38 1.923 -10.634 0.019 293 1HG ARG 38 2HG ARG 38 1.819 -8.286 -0.577 294 2HG ARG 38 1HG ARG 38 3.208 -8.456 -1.651 295 1HD ARG 38 2HD ARG 38 1.539 -10.410 -2.607 296 2HD ARG 38 1HD ARG 38 0.384 -9.178 -2.102 297 HE ARG 38 HE ARG 38 1.008 -8.152 -4.130 298 1HH1 ARG 38 1HH2 ARG 38 3.137 -10.255 -4.734 299 2HH1 ARG 38 2HH2 ARG 38 4.556 -9.269 -4.847 300 1HH2 ARG 38 1HH1 ARG 38 3.097 -6.525 -3.311 301 2HH2 ARG 38 2HH1 ARG 38 4.534 -7.159 -4.041 302 H LYS 39 H LYS 39 6.186 -10.532 -0.160 303 HA LYS 39 HA LYS 39 7.198 -7.819 -0.646 304 1HB LYS 39 2HB LYS 39 8.798 -9.312 0.277 305 2HB LYS 39 1HB LYS 39 8.392 -10.591 -0.865 306 1HG LYS 39 2HG LYS 39 9.343 -9.296 -2.706 307 2HG LYS 39 1HG LYS 39 9.654 -7.937 -1.623 308 1HD LYS 39 2HD LYS 39 10.909 -10.693 -1.468 309 2HD LYS 39 1HD LYS 39 11.721 -9.189 -1.905 310 1HE LYS 39 2HE LYS 39 11.096 -8.288 0.367 311 2HE LYS 39 1HE LYS 39 10.522 -9.903 0.783 312 1HZ LYS 39 1HZ LYS 39 12.962 -10.409 -0.220 313 2HZ LYS 39 2HZ LYS 39 12.620 -10.224 1.434 314 3HZ LYS 39 3HZ LYS 39 13.220 -8.912 0.536 315 H THR 40 H THR 40 8.322 -7.408 -2.812 316 HA THR 40 HA THR 40 6.436 -7.621 -4.941 317 HB THR 40 HB THR 40 9.295 -7.292 -5.670 318 HG1 THR 40 HG1 THR 40 7.930 -5.396 -4.069 319 1HG2 THR 40 1HG2 THR 40 7.261 -5.181 -6.093 320 2HG2 THR 40 2HG2 THR 40 6.919 -6.733 -6.861 321 3HG2 THR 40 3HG2 THR 40 8.417 -5.876 -7.230 322 H GLY 41 H GLY 41 6.898 -8.718 -7.074 323 1HA GLY 41 2HA GLY 41 7.335 -10.647 -8.327 324 2HA GLY 41 1HA GLY 41 8.709 -10.919 -7.261 325 H GLN 42 H GLN 42 5.360 -11.702 -7.868 326 HA GLN 42 HA GLN 42 5.615 -13.991 -6.018 327 1HB GLN 42 2HB GLN 42 4.349 -11.700 -5.126 328 2HB GLN 42 1HB GLN 42 3.008 -12.671 -5.736 329 1HG GLN 42 2HG GLN 42 3.399 -13.223 -3.390 330 2HG GLN 42 1HG GLN 42 3.843 -14.602 -4.397 331 1HE2 GLN 42 1HE2 GLN 42 5.745 -11.602 -3.853 332 2HE2 GLN 42 2HE2 GLN 42 7.074 -12.391 -3.155 333 H ALA 43 H ALA 43 3.408 -12.249 -8.234 334 HA ALA 43 HA ALA 43 1.825 -14.522 -8.918 335 1HB ALA 43 1HB ALA 43 2.451 -11.952 -10.387 336 2HB ALA 43 2HB ALA 43 0.973 -12.380 -9.527 337 3HB ALA 43 3HB ALA 43 1.365 -13.171 -11.053 338 HA PRO 44 HA PRO 44 4.615 -16.780 -11.463 339 1HB PRO 44 2HB PRO 44 2.751 -18.344 -12.739 340 2HB PRO 44 1HB PRO 44 3.262 -18.600 -11.061 341 1HG PRO 44 2HG PRO 44 0.712 -17.445 -12.090 342 2HG PRO 44 1HG PRO 44 1.029 -18.277 -10.559 343 1HD PRO 44 2HD PRO 44 0.786 -15.477 -10.913 344 2HD PRO 44 1HD PRO 44 1.409 -16.300 -9.466 345 H GLY 45 H GLY 45 1.612 -16.044 -13.297 346 1HA GLY 45 2HA GLY 45 3.209 -15.584 -15.728 347 2HA GLY 45 1HA GLY 45 1.447 -15.562 -15.626 348 H TYR 46 H TYR 46 4.031 -13.739 -13.960 349 HA TYR 46 HA TYR 46 3.179 -11.221 -15.190 350 1HB TYR 46 2HB TYR 46 1.516 -11.642 -13.321 351 2HB TYR 46 1HB TYR 46 2.862 -11.579 -12.194 352 HD1 TYR 46 HD1 TYR 46 4.390 -9.229 -13.668 353 HD2 TYR 46 HD2 TYR 46 0.309 -9.775 -12.466 354 HE1 TYR 46 HE1 TYR 46 4.127 -6.801 -13.515 355 HE2 TYR 46 HE2 TYR 46 0.073 -7.321 -12.304 356 HH TYR 46 HH TYR 46 2.655 -5.130 -13.295 357 H SER 47 H SER 47 5.112 -10.258 -15.539 358 HA SER 47 HA SER 47 7.420 -10.880 -13.816 359 1HB SER 47 2HB SER 47 8.053 -10.641 -16.085 360 2HB SER 47 1HB SER 47 6.995 -9.253 -16.326 361 HG SER 47 HG SER 47 9.117 -9.174 -14.469 362 H TYR 48 H TYR 48 6.072 -9.949 -11.951 363 HA TYR 48 HA TYR 48 5.182 -7.364 -11.580 364 1HB TYR 48 2HB TYR 48 6.455 -9.385 -9.829 365 2HB TYR 48 1HB TYR 48 6.458 -7.742 -9.213 366 HD1 TYR 48 HD1 TYR 48 3.947 -9.595 -11.265 367 HD2 TYR 48 HD2 TYR 48 4.827 -7.612 -7.573 368 HE1 TYR 48 HE1 TYR 48 1.593 -9.913 -10.542 369 HE2 TYR 48 HE2 TYR 48 2.475 -7.919 -6.842 370 HH TYR 48 HH TYR 48 0.392 -8.483 -7.539 371 H THR 49 H THR 49 6.455 -5.671 -10.112 372 HA THR 49 HA THR 49 8.532 -4.534 -11.685 373 HB THR 49 HB THR 49 8.639 -3.898 -8.809 374 HG1 THR 49 HG1 THR 49 6.519 -2.864 -9.017 375 1HG2 THR 49 1HG2 THR 49 9.280 -1.957 -9.740 376 2HG2 THR 49 2HG2 THR 49 7.692 -1.782 -10.486 377 3HG2 THR 49 3HG2 THR 49 8.978 -2.635 -11.339 378 H ALA 50 H ALA 50 10.058 -6.216 -12.077 379 HA ALA 50 HA ALA 50 11.309 -7.883 -10.212 380 1HB ALA 50 1HB ALA 50 11.648 -7.940 -12.708 381 2HB ALA 50 2HB ALA 50 13.144 -8.074 -11.783 382 3HB ALA 50 3HB ALA 50 12.711 -6.542 -12.542 383 H ALA 51 H ALA 51 12.089 -4.520 -11.055 384 HA ALA 51 HA ALA 51 14.465 -4.232 -9.581 385 1HB ALA 51 1HB ALA 51 13.600 -1.821 -9.217 386 2HB ALA 51 2HB ALA 51 12.196 -2.326 -10.156 387 3HB ALA 51 3HB ALA 51 13.803 -2.366 -10.880 388 H ASN 52 H ASN 52 11.318 -3.059 -8.324 389 HA ASN 52 HA ASN 52 11.855 -2.805 -5.658 390 1HB ASN 52 2HB ASN 52 9.497 -3.543 -7.209 391 2HB ASN 52 1HB ASN 52 9.455 -4.215 -5.582 392 1HD2 ASN 52 1HD2 ASN 52 10.738 -2.202 -4.099 393 2HD2 ASN 52 2HD2 ASN 52 9.839 -0.765 -4.194 394 H LYS 53 H LYS 53 11.036 -5.958 -7.159 395 HA LYS 53 HA LYS 53 11.182 -7.553 -4.851 396 1HB LYS 53 2HB LYS 53 10.617 -8.147 -7.352 397 2HB LYS 53 1HB LYS 53 12.326 -8.578 -7.428 398 1HG LYS 53 2HG LYS 53 10.912 -9.594 -5.043 399 2HG LYS 53 1HG LYS 53 10.354 -10.272 -6.572 400 1HD LYS 53 2HD LYS 53 13.069 -10.342 -6.917 401 2HD LYS 53 1HD LYS 53 12.930 -10.641 -5.183 402 1HE LYS 53 2HE LYS 53 12.395 -12.774 -5.657 403 2HE LYS 53 1HE LYS 53 10.900 -12.184 -6.383 404 1HZ LYS 53 1HZ LYS 53 12.167 -13.511 -7.946 405 2HZ LYS 53 2HZ LYS 53 13.506 -12.481 -7.775 406 3HZ LYS 53 3HZ LYS 53 12.072 -11.903 -8.477 407 H ASN 54 H ASN 54 13.866 -6.729 -7.070 408 HA ASN 54 HA ASN 54 15.843 -8.177 -5.615 409 1HB ASN 54 2HB ASN 54 16.340 -5.698 -7.271 410 2HB ASN 54 1HB ASN 54 17.453 -7.033 -6.972 411 1HD2 ASN 54 1HD2 ASN 54 17.008 -6.485 -9.627 412 2HD2 ASN 54 2HD2 ASN 54 15.985 -7.647 -10.325 413 H LYS 55 H LYS 55 14.897 -4.738 -5.489 414 HA LYS 55 HA LYS 55 16.814 -3.792 -3.689 415 1HB LYS 55 2HB LYS 55 14.940 -2.470 -4.788 416 2HB LYS 55 1HB LYS 55 13.875 -3.084 -3.523 417 1HG LYS 55 2HG LYS 55 14.599 -1.454 -2.155 418 2HG LYS 55 1HG LYS 55 16.224 -2.136 -2.238 419 1HD LYS 55 2HD LYS 55 15.099 -0.249 -4.323 420 2HD LYS 55 1HD LYS 55 16.077 0.282 -2.956 421 1HE LYS 55 2HE LYS 55 18.000 -0.775 -3.748 422 2HE LYS 55 1HE LYS 55 17.086 -1.930 -4.718 423 1HZ LYS 55 1HZ LYS 55 16.346 0.117 -6.024 424 2HZ LYS 55 2HZ LYS 55 17.933 -0.441 -6.265 425 3HZ LYS 55 3HZ LYS 55 17.646 0.914 -5.280 426 H GLY 56 H GLY 56 14.284 -6.093 -3.109 427 1HA GLY 56 1HA GLY 56 13.885 -7.399 -1.190 428 2HA GLY 56 2HA GLY 56 15.311 -6.660 -0.459 429 H ILE 57 H ILE 57 12.359 -5.120 -1.715 430 HA ILE 57 HA ILE 57 12.083 -3.748 0.909 431 HB ILE 57 HB ILE 57 12.126 -2.548 -1.408 432 1HG1 ILE 57 2HG1 ILE 57 11.536 -1.542 0.824 433 2HG1 ILE 57 1HG1 ILE 57 10.703 -0.797 -0.540 434 1HG2 ILE 57 1HG2 ILE 57 10.460 -3.946 -2.528 435 2HG2 ILE 57 2HG2 ILE 57 9.849 -2.296 -2.391 436 3HG2 ILE 57 3HG2 ILE 57 9.264 -3.547 -1.294 437 1HD1 ILE 57 1HD1 ILE 57 9.591 -2.262 1.729 438 2HD1 ILE 57 2HD1 ILE 57 9.017 -2.888 0.184 439 3HD1 ILE 57 3HD1 ILE 57 8.786 -1.187 0.587 440 H ILE 58 H ILE 58 10.306 -4.053 2.208 441 HA ILE 58 HA ILE 58 8.396 -6.175 1.362 442 HB ILE 58 HB ILE 58 9.329 -6.675 3.495 443 1HG1 ILE 58 2HG1 ILE 58 7.431 -6.662 4.946 444 2HG1 ILE 58 1HG1 ILE 58 6.795 -5.187 4.217 445 1HG2 ILE 58 1HG2 ILE 58 8.988 -4.734 5.306 446 2HG2 ILE 58 2HG2 ILE 58 9.114 -3.722 3.867 447 3HG2 ILE 58 3HG2 ILE 58 10.431 -4.814 4.294 448 1HD1 ILE 58 1HD1 ILE 58 5.826 -7.563 3.535 449 2HD1 ILE 58 2HD1 ILE 58 7.221 -7.568 2.455 450 3HD1 ILE 58 3HD1 ILE 58 6.015 -6.286 2.333 451 H TRP 59 H TRP 59 6.557 -5.414 0.466 452 HA TRP 59 HA TRP 59 5.743 -2.710 0.482 453 1HB TRP 59 2HB TRP 59 4.233 -5.265 -0.070 454 2HB TRP 59 1HB TRP 59 3.496 -3.670 -0.258 455 HD1 TRP 59 HD1 TRP 59 4.853 -6.051 -2.421 456 HE1 TRP 59 HE1 TRP 59 6.128 -5.030 -4.415 457 HE3 TRP 59 HE3 TRP 59 5.541 -1.295 -0.687 458 HZ2 TRP 59 HZ2 TRP 59 7.281 -2.531 -5.167 459 HZ3 TRP 59 HZ3 TRP 59 6.732 0.383 -2.064 460 HH2 TRP 59 HH2 TRP 59 7.601 -0.227 -4.301 461 H GLY 60 H GLY 60 5.220 -1.592 2.263 462 1HA GLY 60 1HA GLY 60 3.195 -2.775 4.104 463 2HA GLY 60 2HA GLY 60 4.649 -2.037 4.777 464 H GLU 61 H GLU 61 3.174 -0.497 5.833 465 HA GLU 61 HA GLU 61 1.554 1.305 4.233 466 1HB GLU 61 2HB GLU 61 0.924 0.876 6.540 467 2HB GLU 61 1HB GLU 61 2.496 1.435 7.113 468 1HG GLU 61 2HG GLU 61 1.632 3.572 5.598 469 2HG GLU 61 1HG GLU 61 0.132 2.993 6.324 470 H ASP 62 H ASP 62 4.197 2.224 6.450 471 HA ASP 62 HA ASP 62 4.787 4.646 5.098 472 1HB ASP 62 2HB ASP 62 5.668 3.370 7.410 473 2HB ASP 62 1HB ASP 62 7.113 3.469 6.404 474 H THR 63 H THR 63 6.117 1.382 4.674 475 HA THR 63 HA THR 63 8.290 2.064 2.982 476 HB THR 63 HB THR 63 7.573 -0.339 1.981 477 HG1 THR 63 HG1 THR 63 6.643 -0.630 4.577 478 1HG2 THR 63 1HG2 THR 63 8.606 -1.045 4.451 479 2HG2 THR 63 2HG2 THR 63 9.138 0.625 4.255 480 3HG2 THR 63 3HG2 THR 63 9.554 -0.580 3.038 481 H LEU 64 H LEU 64 4.898 1.310 2.193 482 HA LEU 64 HA LEU 64 5.238 1.652 -0.652 483 1HB LEU 64 2HB LEU 64 3.251 0.659 0.906 484 2HB LEU 64 1HB LEU 64 2.592 2.252 0.541 485 HG LEU 64 HG LEU 64 3.553 0.204 -1.475 486 1HD1 LEU 64 1HD1 LEU 64 1.273 0.003 -0.203 487 2HD1 LEU 64 2HD1 LEU 64 1.299 -0.189 -1.956 488 3HD1 LEU 64 3HD1 LEU 64 0.781 1.338 -1.243 489 1HD2 LEU 64 1HD2 LEU 64 2.453 1.935 -3.059 490 2HD2 LEU 64 2HD2 LEU 64 4.052 2.319 -2.419 491 3HD2 LEU 64 3HD2 LEU 64 2.618 3.066 -1.714 492 H MET 65 H MET 65 4.753 3.833 2.019 493 HA MET 65 HA MET 65 3.676 6.068 0.643 494 1HB MET 65 2HB MET 65 3.889 5.940 3.112 495 2HB MET 65 1HB MET 65 5.642 6.063 2.954 496 1HG MET 65 2HG MET 65 5.056 8.291 3.329 497 2HG MET 65 1HG MET 65 5.080 8.227 1.567 498 1HE MET 65 1HE MET 65 2.953 7.460 4.641 499 2HE MET 65 2HE MET 65 1.520 8.458 4.411 500 3HE MET 65 3HE MET 65 3.092 9.223 4.629 501 H GLU 66 H GLU 66 7.060 5.081 1.165 502 HA GLU 66 HA GLU 66 8.170 7.321 -0.255 503 1HB GLU 66 2HB GLU 66 9.382 5.824 1.405 504 2HB GLU 66 1HB GLU 66 9.474 4.621 0.119 505 1HG GLU 66 2HG GLU 66 11.312 5.662 -0.656 506 2HG GLU 66 1HG GLU 66 10.307 7.060 -1.037 507 H TYR 67 H TYR 67 7.890 3.870 -1.219 508 HA TYR 67 HA TYR 67 8.762 4.143 -3.870 509 1HB TYR 67 2HB TYR 67 8.287 1.948 -2.934 510 2HB TYR 67 1HB TYR 67 6.576 2.347 -2.779 511 HD1 TYR 67 HD1 TYR 67 9.167 2.648 -5.498 512 HD2 TYR 67 HD2 TYR 67 5.236 1.323 -4.379 513 HE1 TYR 67 HE1 TYR 67 8.764 1.881 -7.817 514 HE2 TYR 67 HE2 TYR 67 4.834 0.559 -6.701 515 HH TYR 67 HH TYR 67 7.159 0.027 -8.885 516 H LEU 68 H LEU 68 5.686 5.097 -2.470 517 HA LEU 68 HA LEU 68 4.466 5.530 -5.103 518 1HB LEU 68 2HB LEU 68 3.436 5.097 -2.588 519 2HB LEU 68 1HB LEU 68 3.197 6.833 -2.797 520 HG LEU 68 HG LEU 68 2.209 6.318 -5.072 521 1HD1 LEU 68 1HD1 LEU 68 1.927 3.504 -4.010 522 2HD1 LEU 68 2HD1 LEU 68 3.287 3.965 -5.033 523 3HD1 LEU 68 3HD1 LEU 68 1.639 4.092 -5.649 524 1HD2 LEU 68 1HD2 LEU 68 0.931 6.720 -2.876 525 2HD2 LEU 68 2HD2 LEU 68 0.705 4.971 -2.820 526 3HD2 LEU 68 3HD2 LEU 68 0.047 5.903 -4.166 527 H GLU 69 H GLU 69 6.114 7.448 -2.651 528 HA GLU 69 HA GLU 69 5.373 10.035 -3.567 529 1HB GLU 69 2HB GLU 69 6.861 9.220 -1.530 530 2HB GLU 69 1HB GLU 69 8.176 9.456 -2.676 531 1HG GLU 69 2HG GLU 69 8.128 11.639 -2.076 532 2HG GLU 69 1HG GLU 69 6.623 11.744 -2.992 533 H ASN 70 H ASN 70 7.460 7.579 -4.777 534 HA ASN 70 HA ASN 70 7.668 8.779 -7.384 535 1HB ASN 70 2HB ASN 70 9.948 9.104 -5.457 536 2HB ASN 70 1HB ASN 70 10.299 8.832 -7.163 537 1HD2 ASN 70 1HD2 ASN 70 9.212 10.402 -8.729 538 2HD2 ASN 70 2HD2 ASN 70 8.933 11.991 -8.204 539 HA PRO 71 HA PRO 71 8.256 4.300 -7.344 540 1HB PRO 71 2HB PRO 71 7.102 3.932 -9.825 541 2HB PRO 71 1HB PRO 71 6.181 4.009 -8.315 542 1HG PRO 71 2HG PRO 71 6.443 6.058 -10.460 543 2HG PRO 71 1HG PRO 71 5.136 5.822 -9.289 544 1HD PRO 71 2HD PRO 71 7.154 7.799 -9.129 545 2HD PRO 71 1HD PRO 71 6.054 7.323 -7.819 546 H LYS 72 H LYS 72 9.021 6.621 -9.902 547 HA LYS 72 HA LYS 72 10.935 4.832 -11.184 548 1HB LYS 72 2HB LYS 72 9.608 6.578 -12.426 549 2HB LYS 72 1HB LYS 72 10.572 7.808 -11.606 550 1HG LYS 72 2HG LYS 72 12.405 5.909 -12.637 551 2HG LYS 72 1HG LYS 72 11.253 6.244 -13.929 552 1HD LYS 72 2HD LYS 72 11.985 8.690 -12.557 553 2HD LYS 72 1HD LYS 72 13.421 7.855 -13.152 554 1HE LYS 72 2HE LYS 72 12.912 8.898 -15.113 555 2HE LYS 72 1HE LYS 72 11.755 7.578 -15.291 556 1HZ LYS 72 1HZ LYS 72 11.292 10.363 -14.492 557 2HZ LYS 72 2HZ LYS 72 10.261 9.159 -13.881 558 3HZ LYS 72 3HZ LYS 72 10.407 9.385 -15.559 559 H LYS 73 H LYS 73 10.984 7.372 -8.764 560 HA LYS 73 HA LYS 73 13.910 7.655 -8.882 561 1HB LYS 73 2HB LYS 73 12.084 8.645 -6.682 562 2HB LYS 73 1HB LYS 73 13.663 9.276 -7.146 563 1HG LYS 73 2HG LYS 73 11.723 9.241 -9.352 564 2HG LYS 73 1HG LYS 73 11.248 10.284 -8.012 565 1HD LYS 73 2HD LYS 73 12.594 11.798 -9.074 566 2HD LYS 73 1HD LYS 73 13.874 10.942 -8.214 567 1HE LYS 73 2HE LYS 73 13.085 9.668 -10.748 568 2HE LYS 73 1HE LYS 73 13.773 11.279 -10.944 569 1HZ LYS 73 1HZ LYS 73 15.019 9.101 -9.356 570 2HZ LYS 73 2HZ LYS 73 15.693 10.623 -9.700 571 3HZ LYS 73 3HZ LYS 73 15.451 9.496 -10.949 572 H TYR 74 H TYR 74 11.510 5.970 -6.924 573 HA TYR 74 HA TYR 74 13.477 5.079 -4.958 574 1HB TYR 74 2HB TYR 74 11.022 5.383 -4.452 575 2HB TYR 74 1HB TYR 74 10.694 3.989 -5.478 576 HD1 TYR 74 HD1 TYR 74 13.677 4.350 -3.285 577 HD2 TYR 74 HD2 TYR 74 9.834 2.502 -3.793 578 HE1 TYR 74 HE1 TYR 74 14.150 2.834 -1.383 579 HE2 TYR 74 HE2 TYR 74 10.309 0.987 -1.891 580 HH TYR 74 HH TYR 74 12.966 0.190 -0.799 581 H ILE 75 H ILE 75 11.363 3.160 -7.132 582 HA ILE 75 HA ILE 75 13.553 1.183 -7.340 583 HB ILE 75 HB ILE 75 10.744 0.795 -8.336 584 1HG1 ILE 75 2HG1 ILE 75 10.737 1.759 -5.972 585 2HG1 ILE 75 1HG1 ILE 75 10.008 0.167 -6.136 586 1HG2 ILE 75 1HG2 ILE 75 13.129 -0.789 -7.752 587 2HG2 ILE 75 2HG2 ILE 75 11.734 -1.188 -8.756 588 3HG2 ILE 75 3HG2 ILE 75 11.671 -1.443 -7.013 589 1HD1 ILE 75 1HD1 ILE 75 12.016 -0.911 -5.325 590 2HD1 ILE 75 2HD1 ILE 75 11.577 0.359 -4.181 591 3HD1 ILE 75 3HD1 ILE 75 12.890 0.622 -5.330 592 HA PRO 76 HA PRO 76 13.941 2.953 -11.471 593 1HB PRO 76 2HB PRO 76 16.410 1.838 -11.942 594 2HB PRO 76 1HB PRO 76 16.176 3.337 -11.026 595 1HG PRO 76 2HG PRO 76 16.852 0.611 -10.021 596 2HG PRO 76 1HG PRO 76 17.216 2.191 -9.307 597 1HD PRO 76 2HD PRO 76 15.149 0.438 -8.488 598 2HD PRO 76 1HD PRO 76 15.318 2.145 -8.020 599 H GLY 77 H GLY 77 12.132 1.174 -11.757 600 1HA GLY 77 2HA GLY 77 12.914 -0.550 -13.920 601 2HA GLY 77 1HA GLY 77 12.687 -1.490 -12.445 602 H THR 78 H THR 78 10.535 0.031 -11.316 603 HA THR 78 HA THR 78 8.271 -1.197 -12.314 604 HB THR 78 HB THR 78 8.392 0.353 -10.288 605 HG1 THR 78 HG1 THR 78 6.414 -0.412 -10.830 606 1HG2 THR 78 1HG2 THR 78 8.553 2.598 -10.554 607 2HG2 THR 78 2HG2 THR 78 7.375 2.604 -11.866 608 3HG2 THR 78 3HG2 THR 78 9.067 2.239 -12.203 609 H LYS 79 H LYS 79 6.626 -0.631 -13.806 610 HA LYS 79 HA LYS 79 7.575 1.199 -15.971 611 1HB LYS 79 2HB LYS 79 5.506 -0.986 -16.283 612 2HB LYS 79 1HB LYS 79 6.419 -0.161 -17.548 613 1HG LYS 79 2HG LYS 79 7.559 -2.034 -15.453 614 2HG LYS 79 1HG LYS 79 7.363 -2.388 -17.171 615 1HD LYS 79 2HD LYS 79 9.097 -0.178 -16.024 616 2HD LYS 79 1HD LYS 79 9.688 -1.717 -16.655 617 1HE LYS 79 2HE LYS 79 8.103 -0.826 -18.720 618 2HE LYS 79 1HE LYS 79 8.788 0.678 -18.106 619 1HZ LYS 79 1HZ LYS 79 10.458 -1.705 -18.635 620 2HZ LYS 79 2HZ LYS 79 10.955 -0.092 -18.441 621 3HZ LYS 79 3HZ LYS 79 10.119 -0.564 -19.843 622 H MET 80 H MET 80 5.623 1.303 -13.381 623 HA MET 80 HA MET 80 3.240 2.363 -14.744 624 1HB MET 80 2HB MET 80 2.254 2.571 -12.549 625 2HB MET 80 1HB MET 80 3.095 1.039 -12.628 626 1HG MET 80 2HG MET 80 4.935 1.866 -11.384 627 2HG MET 80 1HG MET 80 4.320 3.499 -11.446 628 1HE MET 80 1HE MET 80 1.910 4.162 -9.265 629 2HE MET 80 2HE MET 80 3.427 4.536 -10.079 630 3HE MET 80 3HE MET 80 3.443 4.036 -8.390 631 H ILE 81 H ILE 81 3.188 4.365 -15.471 632 HA ILE 81 HA ILE 81 5.109 6.376 -14.484 633 HB ILE 81 HB ILE 81 4.709 6.157 -16.923 634 1HG1 ILE 81 2HG1 ILE 81 3.651 8.707 -16.999 635 2HG1 ILE 81 1HG1 ILE 81 4.294 8.614 -15.359 636 1HG2 ILE 81 1HG2 ILE 81 2.279 7.359 -17.390 637 2HG2 ILE 81 2HG2 ILE 81 1.921 6.346 -15.992 638 3HG2 ILE 81 3HG2 ILE 81 2.570 5.622 -17.463 639 1HD1 ILE 81 1HD1 ILE 81 5.973 7.626 -17.641 640 2HD1 ILE 81 2HD1 ILE 81 6.481 8.290 -16.088 641 3HD1 ILE 81 3HD1 ILE 81 5.861 9.361 -17.345 642 H PHE 82 H PHE 82 3.453 5.732 -12.475 643 HA PHE 82 HA PHE 82 0.971 7.083 -12.280 644 1HB PHE 82 2HB PHE 82 1.760 5.384 -10.678 645 2HB PHE 82 1HB PHE 82 2.992 6.501 -10.098 646 HD1 PHE 82 HD1 PHE 82 -0.625 6.930 -10.984 647 HD2 PHE 82 HD2 PHE 82 2.419 7.270 -7.975 648 HE1 PHE 82 HE1 PHE 82 -2.280 7.912 -9.422 649 HE2 PHE 82 HE2 PHE 82 0.765 8.254 -6.412 650 HZ PHE 82 HZ PHE 82 -1.581 8.570 -7.137 651 H VAL 83 H VAL 83 0.426 9.119 -11.382 652 HA VAL 83 HA VAL 83 2.338 11.243 -11.930 653 HB VAL 83 HB VAL 83 -0.117 11.823 -10.384 654 1HG1 VAL 83 1HG1 VAL 83 1.178 13.671 -11.191 655 2HG1 VAL 83 2HG1 VAL 83 -0.264 13.584 -12.202 656 3HG1 VAL 83 3HG1 VAL 83 1.276 12.972 -12.807 657 1HG2 VAL 83 1HG2 VAL 83 -1.384 10.465 -11.703 658 2HG2 VAL 83 2HG2 VAL 83 -0.091 10.262 -12.885 659 3HG2 VAL 83 3HG2 VAL 83 -1.116 11.695 -12.937 660 H GLY 84 H GLY 84 3.270 12.661 -10.375 661 1HA GLY 84 2HA GLY 84 4.129 11.443 -7.942 662 2HA GLY 84 1HA GLY 84 4.297 13.155 -8.328 663 H ILE 85 H ILE 85 3.387 11.673 -5.821 664 HA ILE 85 HA ILE 85 0.577 12.248 -5.475 665 HB ILE 85 HB ILE 85 2.846 11.653 -3.570 666 1HG1 ILE 85 2HG1 ILE 85 0.947 9.756 -3.207 667 2HG1 ILE 85 1HG1 ILE 85 0.618 10.186 -4.884 668 1HG2 ILE 85 1HG2 ILE 85 -0.057 12.243 -2.916 669 2HG2 ILE 85 2HG2 ILE 85 1.347 13.161 -2.377 670 3HG2 ILE 85 3HG2 ILE 85 1.090 11.519 -1.791 671 1HD1 ILE 85 1HD1 ILE 85 3.374 10.038 -4.838 672 2HD1 ILE 85 2HD1 ILE 85 2.298 8.757 -5.396 673 3HD1 ILE 85 3HD1 ILE 85 2.904 8.742 -3.739 674 H LYS 86 H LYS 86 -0.397 14.066 -4.555 675 HA LYS 86 HA LYS 86 1.404 16.343 -3.851 676 1HB LYS 86 2HB LYS 86 -1.161 16.587 -5.451 677 2HB LYS 86 1HB LYS 86 -0.036 17.886 -5.053 678 1HG LYS 86 2HG LYS 86 1.700 16.885 -6.411 679 2HG LYS 86 1HG LYS 86 0.715 15.447 -6.688 680 1HD LYS 86 2HD LYS 86 -0.358 16.435 -8.405 681 2HD LYS 86 1HD LYS 86 -0.749 17.842 -7.414 682 1HE LYS 86 2HE LYS 86 0.614 18.614 -9.247 683 2HE LYS 86 1HE LYS 86 1.613 18.655 -7.794 684 1HZ LYS 86 1HZ LYS 86 1.770 16.111 -9.012 685 2HZ LYS 86 2HZ LYS 86 3.014 17.228 -8.707 686 3HZ LYS 86 3HZ LYS 86 2.132 17.310 -10.157 687 H LYS 87 H LYS 87 -0.472 14.271 -2.452 688 HA LYS 87 HA LYS 87 -1.477 16.175 -0.471 689 1HB LYS 87 2HB LYS 87 -3.826 15.072 -0.653 690 2HB LYS 87 1HB LYS 87 -3.401 16.325 -1.821 691 1HG LYS 87 2HG LYS 87 -2.641 14.509 -3.387 692 2HG LYS 87 1HG LYS 87 -3.290 13.328 -2.249 693 1HD LYS 87 2HD LYS 87 -5.091 13.621 -3.711 694 2HD LYS 87 1HD LYS 87 -5.478 14.764 -2.425 695 1HE LYS 87 2HE LYS 87 -3.904 16.316 -4.018 696 2HE LYS 87 1HE LYS 87 -4.669 15.279 -5.222 697 1HZ LYS 87 1HZ LYS 87 -5.836 17.312 -3.518 698 2HZ LYS 87 2HZ LYS 87 -6.750 15.887 -3.671 699 3HZ LYS 87 3HZ LYS 87 -6.316 16.776 -5.054 700 H LYS 88 H LYS 88 -0.016 14.936 0.862 701 HA LYS 88 HA LYS 88 -0.015 12.128 1.155 702 1HB LYS 88 2HB LYS 88 0.769 14.433 2.869 703 2HB LYS 88 1HB LYS 88 0.558 12.879 3.676 704 1HG LYS 88 2HG LYS 88 2.177 11.821 2.263 705 2HG LYS 88 1HG LYS 88 2.224 13.206 1.172 706 1HD LYS 88 2HD LYS 88 3.877 14.109 2.398 707 2HD LYS 88 1HD LYS 88 2.802 14.159 3.796 708 1HE LYS 88 2HE LYS 88 3.731 11.456 3.330 709 2HE LYS 88 1HE LYS 88 5.097 12.560 3.492 710 1HZ LYS 88 1HZ LYS 88 4.668 12.077 5.666 711 2HZ LYS 88 2HZ LYS 88 2.995 11.902 5.428 712 3HZ LYS 88 3HZ LYS 88 3.691 13.450 5.479 713 H GLU 89 H GLU 89 -2.267 14.530 2.377 714 HA GLU 89 HA GLU 89 -3.532 13.042 4.415 715 1HB GLU 89 2HB GLU 89 -4.023 15.452 3.066 716 2HB GLU 89 1HB GLU 89 -5.468 14.478 2.794 717 1HG GLU 89 2HG GLU 89 -5.357 13.967 5.330 718 2HG GLU 89 1HG GLU 89 -4.259 15.345 5.417 719 H GLU 90 H GLU 90 -4.396 13.190 0.943 720 HA GLU 90 HA GLU 90 -6.434 11.204 1.068 721 1HB GLU 90 2HB GLU 90 -4.768 12.425 -1.084 722 2HB GLU 90 1HB GLU 90 -5.599 10.915 -1.463 723 1HG GLU 90 2HG GLU 90 -7.635 12.183 -0.281 724 2HG GLU 90 1HG GLU 90 -6.739 13.600 -0.828 725 H ARG 91 H ARG 91 -2.923 10.942 0.737 726 HA ARG 91 HA ARG 91 -2.833 8.198 -0.050 727 1HB ARG 91 2HB ARG 91 -0.839 9.694 1.679 728 2HB ARG 91 1HB ARG 91 -0.529 8.223 0.759 729 1HG ARG 91 2HG ARG 91 -1.381 10.868 -0.455 730 2HG ARG 91 1HG ARG 91 0.277 10.266 -0.419 731 1HD ARG 91 2HD ARG 91 -0.107 8.731 -2.067 732 2HD ARG 91 1HD ARG 91 -1.737 8.381 -1.505 733 HE ARG 91 HE ARG 91 -1.460 11.033 -2.705 734 1HH1 ARG 91 1HH2 ARG 91 -1.793 7.662 -3.337 735 2HH1 ARG 91 2HH2 ARG 91 -2.785 7.888 -4.739 736 1HH2 ARG 91 1HH1 ARG 91 -2.858 11.342 -4.460 737 2HH2 ARG 91 2HH1 ARG 91 -3.387 9.970 -5.374 738 H ALA 92 H ALA 92 -2.837 9.701 3.193 739 HA ALA 92 HA ALA 92 -2.590 7.318 4.701 740 1HB ALA 92 1HB ALA 92 -4.310 9.707 5.431 741 2HB ALA 92 2HB ALA 92 -2.557 9.667 5.626 742 3HB ALA 92 3HB ALA 92 -3.573 8.551 6.541 743 H ASP 93 H ASP 93 -5.478 8.898 3.345 744 HA ASP 93 HA ASP 93 -7.356 7.021 4.415 745 1HB ASP 93 2HB ASP 93 -7.694 8.509 1.807 746 2HB ASP 93 1HB ASP 93 -8.947 8.012 2.946 747 H LEU 94 H LEU 94 -5.205 6.946 1.667 748 HA LEU 94 HA LEU 94 -6.523 4.853 0.198 749 1HB LEU 94 2HB LEU 94 -3.690 5.889 0.292 750 2HB LEU 94 1HB LEU 94 -4.100 4.469 -0.668 751 HG LEU 94 HG LEU 94 -5.625 7.063 -0.912 752 1HD1 LEU 94 1HD1 LEU 94 -4.087 6.958 -3.157 753 2HD1 LEU 94 2HD1 LEU 94 -2.965 6.299 -1.967 754 3HD1 LEU 94 3HD1 LEU 94 -3.662 7.900 -1.726 755 1HD2 LEU 94 1HD2 LEU 94 -6.141 6.054 -3.163 756 2HD2 LEU 94 2HD2 LEU 94 -6.758 5.110 -1.807 757 3HD2 LEU 94 3HD2 LEU 94 -5.295 4.595 -2.646 758 H ILE 95 H ILE 95 -3.616 4.704 2.278 759 HA ILE 95 HA ILE 95 -3.371 1.920 2.445 760 HB ILE 95 HB ILE 95 -2.977 3.720 4.839 761 1HG1 ILE 95 2HG1 ILE 95 -1.947 5.001 3.140 762 2HG1 ILE 95 1HG1 ILE 95 -0.627 4.022 3.780 763 1HG2 ILE 95 1HG2 ILE 95 -2.518 1.043 4.455 764 2HG2 ILE 95 2HG2 ILE 95 -1.651 2.047 5.618 765 3HG2 ILE 95 3HG2 ILE 95 -0.952 1.735 4.028 766 1HD1 ILE 95 1HD1 ILE 95 -0.316 3.568 1.551 767 2HD1 ILE 95 2HD1 ILE 95 -2.009 3.855 1.150 768 3HD1 ILE 95 3HD1 ILE 95 -1.525 2.331 1.892 769 H ALA 96 H ALA 96 -5.602 4.058 4.102 770 HA ALA 96 HA ALA 96 -6.544 2.271 6.095 771 1HB ALA 96 1HB ALA 96 -7.438 4.775 4.872 772 2HB ALA 96 2HB ALA 96 -7.558 4.238 6.547 773 3HB ALA 96 3HB ALA 96 -8.778 3.742 5.373 774 H TYR 97 H TYR 97 -7.821 2.841 2.795 775 HA TYR 97 HA TYR 97 -9.886 0.881 2.989 776 1HB TYR 97 2HB TYR 97 -10.018 2.504 1.222 777 2HB TYR 97 1HB TYR 97 -8.434 2.039 0.598 778 HD1 TYR 97 HD1 TYR 97 -8.562 0.846 -1.395 779 HD2 TYR 97 HD2 TYR 97 -11.537 0.187 1.632 780 HE1 TYR 97 HE1 TYR 97 -9.622 -0.889 -2.815 781 HE2 TYR 97 HE2 TYR 97 -12.599 -1.546 0.212 782 HH TYR 97 HH TYR 97 -11.869 -1.934 -3.067 783 H LEU 98 H LEU 98 -6.628 0.683 1.530 784 HA LEU 98 HA LEU 98 -6.828 -2.089 0.849 785 1HB LEU 98 2HB LEU 98 -4.628 -0.091 1.090 786 2HB LEU 98 1HB LEU 98 -4.170 -1.792 1.122 787 HG LEU 98 HG LEU 98 -4.121 -1.039 -1.183 788 1HD1 LEU 98 1HD1 LEU 98 -5.115 -2.925 -1.942 789 2HD1 LEU 98 2HD1 LEU 98 -6.703 -2.412 -1.373 790 3HD1 LEU 98 3HD1 LEU 98 -5.584 -3.203 -0.264 791 1HD2 LEU 98 1HD2 LEU 98 -6.754 -0.476 -1.877 792 2HD2 LEU 98 2HD2 LEU 98 -5.466 0.713 -1.682 793 3HD2 LEU 98 3HD2 LEU 98 -6.550 0.358 -0.338 794 H LYS 99 H LYS 99 -6.345 -0.512 3.882 795 HA LYS 99 HA LYS 99 -5.015 -2.782 5.134 796 1HB LYS 99 2HB LYS 99 -5.637 -0.063 5.860 797 2HB LYS 99 1HB LYS 99 -6.197 -1.157 7.124 798 1HG LYS 99 2HG LYS 99 -3.983 -2.207 7.234 799 2HG LYS 99 1HG LYS 99 -3.408 -1.164 5.932 800 1HD LYS 99 2HD LYS 99 -3.325 0.709 7.279 801 2HD LYS 99 1HD LYS 99 -4.632 0.146 8.321 802 1HE LYS 99 2HE LYS 99 -2.954 -1.715 9.032 803 2HE LYS 99 1HE LYS 99 -1.726 -0.648 8.352 804 1HZ LYS 99 1HZ LYS 99 -2.504 -0.465 10.850 805 2HZ LYS 99 2HZ LYS 99 -3.691 0.535 10.160 806 3HZ LYS 99 3HZ LYS 99 -2.045 0.900 9.957 807 H LYS 100 H LYS 100 -8.266 -1.699 4.574 808 HA LYS 100 HA LYS 100 -9.491 -3.421 6.586 809 1HB LYS 100 2HB LYS 100 -10.780 -1.525 6.003 810 2HB LYS 100 1HB LYS 100 -10.514 -1.768 4.278 811 1HG LYS 100 2HG LYS 100 -12.810 -2.423 4.954 812 2HG LYS 100 1HG LYS 100 -11.898 -3.795 4.328 813 1HD LYS 100 2HD LYS 100 -11.368 -4.504 6.628 814 2HD LYS 100 1HD LYS 100 -12.271 -3.127 7.262 815 1HE LYS 100 2HE LYS 100 -14.151 -4.357 7.171 816 2HE LYS 100 1HE LYS 100 -13.980 -4.438 5.417 817 1HZ LYS 100 1HZ LYS 100 -14.046 -6.647 6.265 818 2HZ LYS 100 2HZ LYS 100 -12.842 -6.313 7.416 819 3HZ LYS 100 3HZ LYS 100 -12.455 -6.343 5.763 820 H ALA 101 H ALA 101 -8.839 -3.594 3.111 821 HA ALA 101 HA ALA 101 -10.129 -6.222 2.936 822 1HB ALA 101 1HB ALA 101 -8.613 -4.741 0.781 823 2HB ALA 101 2HB ALA 101 -10.322 -4.476 1.123 824 3HB ALA 101 3HB ALA 101 -9.769 -6.054 0.562 825 H THR 102 H THR 102 -6.863 -4.922 2.200 826 HA THR 102 HA THR 102 -5.806 -7.678 2.245 827 HB THR 102 HB THR 102 -3.829 -6.760 1.281 828 HG1 THR 102 HG1 THR 102 -3.987 -4.272 1.114 829 1HG2 THR 102 1HG2 THR 102 -4.675 -5.749 -0.690 830 2HG2 THR 102 2HG2 THR 102 -6.017 -5.003 0.177 831 3HG2 THR 102 3HG2 THR 102 -6.000 -6.745 -0.090 832 H ASN 103 H ASN 103 -6.600 -5.907 4.739 833 HA ASN 103 HA ASN 103 -4.380 -6.901 6.348 834 1HB ASN 103 2HB ASN 103 -3.739 -4.561 5.446 835 2HB ASN 103 1HB ASN 103 -4.960 -3.953 6.562 836 1HD2 ASN 103 1HD2 ASN 103 -2.131 -3.395 6.869 837 2HD2 ASN 103 2HD2 ASN 103 -1.615 -4.135 8.307 838 H GLU 104 HN GLU 104 -7.329 -7.229 6.126 839 HA GLU 104 HA GLU 104 -7.895 -7.065 8.988 840 1HB GLU 104 2HB GLU 104 -8.654 -4.879 7.391 841 2HB GLU 104 1HB GLU 104 -10.130 -5.810 7.638 842 1HG GLU 104 2HG GLU 104 -8.823 -5.807 10.133 843 2HG GLU 104 1HG GLU 104 -8.683 -4.156 9.528 844 HHA HEC 105 HHA HEC 105 4.307 -2.785 -9.334 845 HHB HEC 105 HHB HEC 105 1.570 1.074 -5.135 846 HHC HEC 105 HHC HEC 105 -1.640 3.881 -9.807 847 HHD HEC 105 HHD HEC 105 0.995 -0.063 -13.970 848 1HMA HEC 105 1HMA HEC 105 4.316 -0.363 -4.333 849 2HMA HEC 105 2HMA HEC 105 3.472 -1.907 -4.209 850 3HMA HEC 105 3HMA HEC 105 2.571 -0.396 -4.078 851 1HAA HEC 105 1HAA HEC 105 5.386 -2.505 -5.874 852 2HAA HEC 105 2HAA HEC 105 5.311 -2.992 -7.555 853 1HBA HEC 105 1HBA HEC 105 3.086 -4.194 -6.766 854 2HBA HEC 105 2HBA HEC 105 3.873 -4.117 -5.189 855 1HMB HEC 105 1HMB HEC 105 -1.302 2.809 -4.512 856 2HMB HEC 105 2HMB HEC 105 -0.118 4.105 -4.652 857 3HMB HEC 105 3HMB HEC 105 0.413 2.466 -4.287 858 HAB HEC 105 HAB HEC 105 -2.028 4.949 -8.109 859 1HBB HEC 105 1HBB HEC 105 -0.351 5.742 -6.303 860 2HBB HEC 105 2HBB HEC 105 -1.669 5.342 -5.203 861 3HBB HEC 105 3HBB HEC 105 -1.923 6.515 -6.495 862 1HMC HEC 105 1HMC HEC 105 -2.523 4.222 -11.575 863 2HMC HEC 105 2HMC HEC 105 -1.652 4.632 -13.053 864 3HMC HEC 105 3HMC HEC 105 -2.929 3.415 -13.090 865 HAC HEC 105 HAC HEC 105 0.046 1.567 -15.073 866 1HBC HEC 105 1HBC HEC 105 -2.427 3.178 -15.062 867 2HBC HEC 105 2HBC HEC 105 -1.074 3.156 -16.194 868 3HBC HEC 105 3HBC HEC 105 -0.904 3.957 -14.632 869 1HMD HEC 105 1HMD HEC 105 3.335 -1.269 -14.789 870 2HMD HEC 105 2HMD HEC 105 3.341 -2.994 -14.417 871 3HMD HEC 105 3HMD HEC 105 1.813 -2.151 -14.668 872 1HAD HEC 105 1HAD HEC 105 4.299 -4.109 -11.099 873 2HAD HEC 105 2HAD HEC 105 4.129 -4.052 -12.847 874 1HBD HEC 105 1HBD HEC 105 6.483 -3.706 -11.548 875 2HBD HEC 105 2HBD HEC 105 5.953 -2.032 -11.692 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 -9.518 5.735 8.457 2 2H GLY 1 2HT GLY 1 -9.377 6.966 7.293 3 3H GLY 1 3HT GLY 1 -10.414 5.648 7.019 4 1HA GLY 1 1HA GLY 1 -11.100 6.891 9.462 5 2HA GLY 1 2HA GLY 1 -11.059 8.085 8.163 6 H ASP 2 H ASP 2 -12.124 7.209 6.043 7 HA ASP 2 HA ASP 2 -14.652 5.807 6.817 8 1HB ASP 2 2HB ASP 2 -14.206 7.796 4.570 9 2HB ASP 2 1HB ASP 2 -15.746 7.063 5.021 10 H VAL 3 H VAL 3 -15.627 4.507 5.016 11 HA VAL 3 HA VAL 3 -13.480 3.049 3.584 12 HB VAL 3 HB VAL 3 -15.193 1.814 4.945 13 1HG1 VAL 3 1HG1 VAL 3 -17.092 3.330 4.381 14 2HG1 VAL 3 2HG1 VAL 3 -17.469 1.635 4.077 15 3HG1 VAL 3 3HG1 VAL 3 -17.068 2.704 2.733 16 1HG2 VAL 3 1HG2 VAL 3 -15.292 1.241 1.966 17 2HG2 VAL 3 2HG2 VAL 3 -15.581 0.083 3.264 18 3HG2 VAL 3 3HG2 VAL 3 -13.972 0.766 3.033 19 H GLU 4 H GLU 4 -16.421 4.918 2.946 20 HA GLU 4 HA GLU 4 -16.406 4.431 0.089 21 1HB GLU 4 2HB GLU 4 -17.826 6.304 1.944 22 2HB GLU 4 1HB GLU 4 -17.824 6.673 0.220 23 1HG GLU 4 2HG GLU 4 -18.511 3.901 1.157 24 2HG GLU 4 1HG GLU 4 -19.734 5.171 1.190 25 H LYS 5 H LYS 5 -14.360 6.222 2.074 26 HA LYS 5 HA LYS 5 -13.814 8.304 0.041 27 1HB LYS 5 2HB LYS 5 -13.587 8.170 2.854 28 2HB LYS 5 1HB LYS 5 -11.939 8.279 2.235 29 1HG LYS 5 2HG LYS 5 -13.248 10.106 0.656 30 2HG LYS 5 1HG LYS 5 -14.093 10.287 2.194 31 1HD LYS 5 2HD LYS 5 -11.113 10.129 2.264 32 2HD LYS 5 1HD LYS 5 -11.840 11.626 1.679 33 1HE LYS 5 2HE LYS 5 -13.191 10.659 4.066 34 2HE LYS 5 1HE LYS 5 -11.468 10.899 4.356 35 1HZ LYS 5 1HZ LYS 5 -13.516 12.853 3.586 36 2HZ LYS 5 2HZ LYS 5 -11.919 13.102 3.060 37 3HZ LYS 5 3HZ LYS 5 -12.261 12.992 4.720 38 H GLY 6 H GLY 6 -11.912 5.832 1.820 39 1HA GLY 6 1HA GLY 6 -9.616 6.066 0.112 40 2HA GLY 6 2HA GLY 6 -9.950 4.708 1.189 41 H LYS 7 H LYS 7 -12.280 3.685 0.193 42 HA LYS 7 HA LYS 7 -11.414 2.205 -2.092 43 1HB LYS 7 2HB LYS 7 -13.133 1.394 -0.496 44 2HB LYS 7 1HB LYS 7 -14.241 2.637 -1.074 45 1HG LYS 7 2HG LYS 7 -13.346 1.375 -3.403 46 2HG LYS 7 1HG LYS 7 -13.588 0.057 -2.256 47 1HD LYS 7 2HD LYS 7 -15.822 1.527 -1.774 48 2HD LYS 7 1HD LYS 7 -15.580 1.877 -3.484 49 1HE LYS 7 2HE LYS 7 -15.847 -0.350 -4.118 50 2HE LYS 7 1HE LYS 7 -15.374 -0.960 -2.532 51 1HZ LYS 7 1HZ LYS 7 -17.573 -1.206 -2.268 52 2HZ LYS 7 2HZ LYS 7 -17.964 -0.084 -3.482 53 3HZ LYS 7 3HZ LYS 7 -17.555 0.455 -1.923 54 H LYS 8 H LYS 8 -12.675 5.361 -1.821 55 HA LYS 8 HA LYS 8 -13.863 5.398 -4.512 56 1HB LYS 8 2HB LYS 8 -13.832 7.143 -2.176 57 2HB LYS 8 1HB LYS 8 -13.527 8.039 -3.665 58 1HG LYS 8 2HG LYS 8 -15.742 6.015 -3.613 59 2HG LYS 8 1HG LYS 8 -16.009 7.597 -2.879 60 1HD LYS 8 2HD LYS 8 -15.673 8.735 -4.916 61 2HD LYS 8 1HD LYS 8 -14.856 7.357 -5.654 62 1HE LYS 8 2HE LYS 8 -17.171 6.153 -5.233 63 2HE LYS 8 1HE LYS 8 -17.788 7.805 -5.213 64 1HZ LYS 8 1HZ LYS 8 -17.825 6.819 -7.438 65 2HZ LYS 8 2HZ LYS 8 -16.137 6.630 -7.385 66 3HZ LYS 8 3HZ LYS 8 -16.823 8.186 -7.370 67 H ILE 9 H ILE 9 -11.109 7.037 -2.905 68 HA ILE 9 HA ILE 9 -10.009 8.196 -5.245 69 HB ILE 9 HB ILE 9 -8.502 7.144 -2.832 70 1HG1 ILE 9 2HG1 ILE 9 -9.592 9.929 -3.322 71 2HG1 ILE 9 1HG1 ILE 9 -10.434 8.719 -2.352 72 1HG2 ILE 9 1HG2 ILE 9 -7.844 9.186 -4.971 73 2HG2 ILE 9 2HG2 ILE 9 -6.973 7.694 -4.612 74 3HG2 ILE 9 3HG2 ILE 9 -6.938 9.032 -3.465 75 1HD1 ILE 9 1HD1 ILE 9 -8.709 10.469 -1.265 76 2HD1 ILE 9 2HD1 ILE 9 -7.565 9.203 -1.710 77 3HD1 ILE 9 3HD1 ILE 9 -8.911 8.835 -0.632 78 H PHE 10 H PHE 10 -9.102 5.103 -3.671 79 HA PHE 10 HA PHE 10 -7.277 4.280 -5.694 80 1HB PHE 10 2HB PHE 10 -7.496 3.206 -3.444 81 2HB PHE 10 1HB PHE 10 -9.020 2.493 -3.972 82 HD1 PHE 10 HD1 PHE 10 -8.933 1.167 -6.245 83 HD2 PHE 10 HD2 PHE 10 -5.504 2.032 -3.806 84 HE1 PHE 10 HE1 PHE 10 -7.695 -0.687 -7.330 85 HE2 PHE 10 HE2 PHE 10 -4.265 0.177 -4.892 86 HZ PHE 10 HZ PHE 10 -5.361 -1.182 -6.653 87 H ILE 11 H ILE 11 -10.785 3.719 -5.356 88 HA ILE 11 HA ILE 11 -11.091 1.990 -7.583 89 HB ILE 11 HB ILE 11 -12.903 3.876 -6.116 90 1HG1 ILE 11 2HG1 ILE 11 -13.010 0.916 -6.783 91 2HG1 ILE 11 1HG1 ILE 11 -12.439 1.601 -5.261 92 1HG2 ILE 11 1HG2 ILE 11 -14.777 3.215 -7.608 93 2HG2 ILE 11 2HG2 ILE 11 -13.624 2.429 -8.686 94 3HG2 ILE 11 3HG2 ILE 11 -13.572 4.178 -8.463 95 1HD1 ILE 11 1HD1 ILE 11 -15.237 1.829 -6.406 96 2HD1 ILE 11 2HD1 ILE 11 -14.685 2.663 -4.953 97 3HD1 ILE 11 3HD1 ILE 11 -14.754 0.901 -4.985 98 H MET 12 H MET 12 -10.501 5.427 -7.433 99 HA MET 12 HA MET 12 -10.791 5.527 -10.411 100 1HB MET 12 2HB MET 12 -11.558 7.779 -10.273 101 2HB MET 12 1HB MET 12 -12.468 6.898 -9.045 102 1HG MET 12 2HG MET 12 -10.681 7.611 -7.378 103 2HG MET 12 1HG MET 12 -10.068 8.694 -8.628 104 1HE MET 12 1HE MET 12 -10.499 10.574 -9.021 105 2HE MET 12 2HE MET 12 -10.891 11.379 -7.503 106 3HE MET 12 3HE MET 12 -11.974 11.538 -8.884 107 H LYS 13 H LYS 13 -8.436 5.074 -8.409 108 HA LYS 13 HA LYS 13 -6.675 7.133 -9.674 109 1HB LYS 13 2HB LYS 13 -7.139 7.374 -7.135 110 2HB LYS 13 1HB LYS 13 -6.105 5.956 -6.957 111 1HG LYS 13 2HG LYS 13 -4.616 7.785 -6.749 112 2HG LYS 13 1HG LYS 13 -4.406 7.246 -8.415 113 1HD LYS 13 2HD LYS 13 -5.097 9.237 -9.205 114 2HD LYS 13 1HD LYS 13 -6.581 9.145 -8.256 115 1HE LYS 13 2HE LYS 13 -4.332 9.690 -6.524 116 2HE LYS 13 1HE LYS 13 -4.391 10.875 -7.828 117 1HZ LYS 13 1HZ LYS 13 -6.224 10.451 -5.634 118 2HZ LYS 13 2HZ LYS 13 -6.974 10.687 -7.140 119 3HZ LYS 13 3HZ LYS 13 -5.905 11.856 -6.526 120 H CYS 14 H CYS 14 -6.707 3.897 -8.126 121 HA CYS 14 HA CYS 14 -4.687 3.076 -10.167 122 1HB CYS 14 2HB CYS 14 -4.377 1.635 -7.640 123 2HB CYS 14 1HB CYS 14 -3.151 2.414 -8.633 124 H SER 15 H SER 15 -7.699 2.698 -9.652 125 HA SER 15 HA SER 15 -7.894 -0.203 -9.202 126 1HB SER 15 2HB SER 15 -9.621 1.701 -8.604 127 2HB SER 15 1HB SER 15 -10.153 1.456 -10.262 128 HG SER 15 HG SER 15 -10.225 -0.843 -9.669 129 H GLN 16 H GLN 16 -6.729 1.436 -11.696 130 HA GLN 16 HA GLN 16 -8.182 -0.078 -13.806 131 1HB GLN 16 2HB GLN 16 -6.381 2.333 -13.804 132 2HB GLN 16 1HB GLN 16 -6.559 1.379 -15.277 133 1HG GLN 16 2HG GLN 16 -9.168 1.747 -14.221 134 2HG GLN 16 1HG GLN 16 -8.371 3.320 -14.174 135 1HE2 GLN 16 1HE2 GLN 16 -10.378 3.240 -15.996 136 2HE2 GLN 16 2HE2 GLN 16 -9.789 3.066 -17.578 137 H CYS 17 H CYS 17 -4.937 0.540 -12.510 138 HA CYS 17 HA CYS 17 -3.861 -1.721 -14.090 139 1HB CYS 17 2HB CYS 17 -2.616 0.433 -12.373 140 2HB CYS 17 1HB CYS 17 -1.688 -0.975 -12.888 141 H HIS 18 H HIS 18 -4.817 -0.848 -10.833 142 HA HIS 18 HA HIS 18 -3.907 -3.538 -9.886 143 1HB HIS 18 2HB HIS 18 -4.485 -1.011 -8.316 144 2HB HIS 18 1HB HIS 18 -4.108 -2.571 -7.589 145 HD1 HIS 18 HD1 HIS 18 -1.663 -3.298 -7.552 146 HD2 HIS 18 HD2 HIS 18 -2.291 0.163 -9.777 147 HE1 HIS 18 HE1 HIS 18 0.633 -2.346 -8.061 148 H THR 19 H THR 19 -5.880 -4.516 -10.759 149 HA THR 19 HA THR 19 -8.473 -3.608 -9.758 150 HB THR 19 HB THR 19 -9.393 -5.468 -10.973 151 HG1 THR 19 HG1 THR 19 -8.352 -7.271 -11.074 152 1HG2 THR 19 1HG2 THR 19 -6.939 -4.684 -12.551 153 2HG2 THR 19 2HG2 THR 19 -8.288 -3.579 -12.290 154 3HG2 THR 19 3HG2 THR 19 -8.541 -5.088 -13.167 155 H VAL 20 H VAL 20 -8.003 -3.674 -7.459 156 HA VAL 20 HA VAL 20 -7.324 -6.237 -6.216 157 HB VAL 20 HB VAL 20 -7.260 -5.020 -4.168 158 1HG1 VAL 20 1HG1 VAL 20 -5.432 -3.883 -4.820 159 2HG1 VAL 20 2HG1 VAL 20 -6.437 -2.654 -5.587 160 3HG1 VAL 20 3HG1 VAL 20 -5.945 -4.082 -6.496 161 1HG2 VAL 20 1HG2 VAL 20 -8.972 -3.009 -5.645 162 2HG2 VAL 20 2HG2 VAL 20 -8.161 -2.626 -4.127 163 3HG2 VAL 20 3HG2 VAL 20 -9.378 -3.902 -4.181 164 H GLU 21 H GLU 21 -9.888 -6.108 -7.728 165 HA GLU 21 HA GLU 21 -11.552 -7.308 -5.652 166 1HB GLU 21 2HB GLU 21 -12.035 -4.553 -6.614 167 2HB GLU 21 1HB GLU 21 -13.452 -5.606 -6.609 168 1HG GLU 21 2HG GLU 21 -11.928 -5.988 -4.184 169 2HG GLU 21 1HG GLU 21 -12.313 -4.280 -4.393 170 H LYS 22 H LYS 22 -10.323 -7.793 -8.409 171 HA LYS 22 HA LYS 22 -12.801 -8.388 -9.945 172 1HB LYS 22 2HB LYS 22 -10.716 -7.231 -10.965 173 2HB LYS 22 1HB LYS 22 -9.978 -8.832 -10.915 174 1HG LYS 22 2HG LYS 22 -12.271 -9.547 -12.057 175 2HG LYS 22 1HG LYS 22 -12.276 -7.856 -12.563 176 1HD LYS 22 2HD LYS 22 -9.927 -9.725 -12.977 177 2HD LYS 22 1HD LYS 22 -11.155 -9.406 -14.203 178 1HE LYS 22 2HE LYS 22 -10.456 -6.863 -13.403 179 2HE LYS 22 1HE LYS 22 -8.916 -7.720 -13.315 180 1HZ LYS 22 1HZ LYS 22 -9.547 -8.613 -15.601 181 2HZ LYS 22 2HZ LYS 22 -9.044 -6.993 -15.503 182 3HZ LYS 22 3HZ LYS 22 -10.696 -7.365 -15.646 183 H GLY 23 H GLY 23 -11.135 -9.860 -7.589 184 1HA GLY 23 2HA GLY 23 -11.836 -12.206 -7.102 185 2HA GLY 23 1HA GLY 23 -11.544 -12.563 -8.804 186 H GLY 24 H GLY 24 -9.078 -10.745 -8.620 187 1HA GLY 24 1HA GLY 24 -6.999 -11.054 -7.157 188 2HA GLY 24 2HA GLY 24 -7.315 -12.782 -7.319 189 H LYS 25 H LYS 25 -8.264 -11.724 -10.209 190 HA LYS 25 HA LYS 25 -5.775 -12.522 -11.507 191 1HB LYS 25 2HB LYS 25 -8.191 -12.959 -12.329 192 2HB LYS 25 1HB LYS 25 -8.153 -11.291 -12.900 193 1HG LYS 25 2HG LYS 25 -7.081 -11.997 -14.746 194 2HG LYS 25 1HG LYS 25 -5.715 -12.455 -13.730 195 1HD LYS 25 2HD LYS 25 -7.738 -14.456 -13.445 196 2HD LYS 25 1HD LYS 25 -7.489 -14.169 -15.167 197 1HE LYS 25 2HE LYS 25 -5.284 -14.861 -15.110 198 2HE LYS 25 1HE LYS 25 -5.073 -14.393 -13.423 199 1HZ LYS 25 1HZ LYS 25 -6.101 -16.865 -14.547 200 2HZ LYS 25 2HZ LYS 25 -6.911 -16.287 -13.170 201 3HZ LYS 25 3HZ LYS 25 -5.242 -16.601 -13.109 202 H HIS 26 H HIS 26 -4.338 -11.173 -12.611 203 HA HIS 26 HA HIS 26 -4.883 -8.243 -12.435 204 1HB HIS 26 2HB HIS 26 -2.267 -8.156 -12.236 205 2HB HIS 26 1HB HIS 26 -3.234 -8.488 -10.801 206 HD1 HIS 26 HD1 HIS 26 -2.564 -11.030 -13.520 207 HD2 HIS 26 HD2 HIS 26 -1.390 -10.254 -9.594 208 HE1 HIS 26 HE1 HIS 26 -1.251 -13.055 -12.751 209 H LYS 27 H LYS 27 -3.274 -7.042 -13.974 210 HA LYS 27 HA LYS 27 -2.514 -8.604 -16.335 211 1HB LYS 27 2HB LYS 27 -4.998 -7.222 -16.228 212 2HB LYS 27 1HB LYS 27 -3.937 -6.304 -17.297 213 1HG LYS 27 2HG LYS 27 -3.536 -8.218 -18.688 214 2HG LYS 27 1HG LYS 27 -4.300 -9.301 -17.524 215 1HD LYS 27 2HD LYS 27 -6.437 -7.948 -17.866 216 2HD LYS 27 1HD LYS 27 -5.628 -7.194 -19.241 217 1HE LYS 27 2HE LYS 27 -5.674 -10.188 -19.021 218 2HE LYS 27 1HE LYS 27 -7.101 -9.343 -19.617 219 1HZ LYS 27 1HZ LYS 27 -5.426 -8.146 -21.131 220 2HZ LYS 27 2HZ LYS 27 -5.888 -9.734 -21.525 221 3HZ LYS 27 3HZ LYS 27 -4.392 -9.443 -20.773 222 H THR 28 H THR 28 -3.139 -5.127 -15.777 223 HA THR 28 HA THR 28 -0.428 -4.522 -16.753 224 HB THR 28 HB THR 28 -2.746 -2.788 -15.861 225 HG1 THR 28 HG1 THR 28 -2.959 -2.437 -17.984 226 1HG2 THR 28 1HG2 THR 28 0.074 -2.049 -16.656 227 2HG2 THR 28 2HG2 THR 28 -0.808 -1.564 -15.209 228 3HG2 THR 28 3HG2 THR 28 -1.270 -0.914 -16.782 229 H GLY 29 H GLY 29 -2.287 -3.785 -13.778 230 1HA GLY 29 2HA GLY 29 0.274 -3.320 -12.350 231 2HA GLY 29 1HA GLY 29 -1.324 -2.921 -11.735 232 HA PRO 30 HA PRO 30 0.172 -7.294 -10.469 233 1HB PRO 30 2HB PRO 30 1.328 -6.727 -8.047 234 2HB PRO 30 1HB PRO 30 2.231 -6.863 -9.560 235 1HG PRO 30 2HG PRO 30 1.414 -4.387 -8.080 236 2HG PRO 30 1HG PRO 30 2.862 -4.687 -9.059 237 1HD PRO 30 2HD PRO 30 0.652 -3.253 -9.957 238 2HD PRO 30 1HD PRO 30 1.822 -4.066 -11.015 239 H ASN 31 H ASN 31 -1.487 -8.363 -9.574 240 HA ASN 31 HA ASN 31 -3.787 -7.263 -8.514 241 1HB ASN 31 2HB ASN 31 -3.526 -9.667 -9.075 242 2HB ASN 31 1HB ASN 31 -2.562 -9.887 -7.613 243 1HD2 ASN 31 1HD2 ASN 31 -5.690 -8.220 -8.356 244 2HD2 ASN 31 2HD2 ASN 31 -6.533 -8.923 -7.063 245 H LEU 32 H LEU 32 -3.597 -5.634 -7.010 246 HA LEU 32 HA LEU 32 -1.900 -5.916 -4.656 247 1HB LEU 32 2HB LEU 32 -3.365 -3.796 -5.997 248 2HB LEU 32 1HB LEU 32 -3.657 -3.764 -4.261 249 HG LEU 32 HG LEU 32 -1.390 -3.416 -3.756 250 1HD1 LEU 32 1HD1 LEU 32 -0.974 -4.941 -6.225 251 2HD1 LEU 32 2HD1 LEU 32 0.050 -4.820 -4.796 252 3HD1 LEU 32 3HD1 LEU 32 0.141 -3.587 -6.053 253 1HD2 LEU 32 1HD2 LEU 32 -0.671 -1.843 -5.877 254 2HD2 LEU 32 2HD2 LEU 32 -1.756 -1.328 -4.585 255 3HD2 LEU 32 3HD2 LEU 32 -2.417 -1.944 -6.101 256 H HIS 33 H HIS 33 -3.854 -8.004 -4.805 257 HA HIS 33 HA HIS 33 -6.031 -7.274 -2.962 258 1HB HIS 33 2HB HIS 33 -6.237 -8.926 -4.917 259 2HB HIS 33 1HB HIS 33 -5.316 -10.052 -3.918 260 HD1 HIS 33 HD1 HIS 33 -6.434 -10.805 -1.639 261 HD2 HIS 33 HD2 HIS 33 -8.923 -8.595 -4.149 262 HE1 HIS 33 HE1 HIS 33 -8.791 -11.119 -0.767 263 H GLY 34 H GLY 34 -2.827 -8.467 -2.791 264 1HA GLY 34 2HA GLY 34 -3.078 -8.771 0.131 265 2HA GLY 34 1HA GLY 34 -2.550 -10.211 -0.745 266 H LEU 35 H LEU 35 -1.790 -6.859 -1.562 267 HA LEU 35 HA LEU 35 0.995 -7.413 -1.912 268 1HB LEU 35 2HB LEU 35 -0.115 -5.598 -3.111 269 2HB LEU 35 1HB LEU 35 -0.461 -4.778 -1.588 270 HG LEU 35 HG LEU 35 2.169 -5.009 -1.268 271 1HD1 LEU 35 1HD1 LEU 35 2.950 -4.404 -3.792 272 2HD1 LEU 35 2HD1 LEU 35 1.661 -5.553 -4.142 273 3HD1 LEU 35 3HD1 LEU 35 3.021 -6.036 -3.129 274 1HD2 LEU 35 1HD2 LEU 35 0.468 -3.001 -2.665 275 2HD2 LEU 35 2HD2 LEU 35 2.215 -2.796 -2.810 276 3HD2 LEU 35 3HD2 LEU 35 1.459 -2.822 -1.216 277 H PHE 36 H PHE 36 -0.879 -6.117 0.788 278 HA PHE 36 HA PHE 36 1.327 -5.158 2.334 279 1HB PHE 36 2HB PHE 36 -1.468 -6.052 3.007 280 2HB PHE 36 1HB PHE 36 -0.330 -5.632 4.288 281 HD1 PHE 36 HD1 PHE 36 -1.081 -4.243 0.879 282 HD2 PHE 36 HD2 PHE 36 -0.684 -3.474 5.087 283 HE1 PHE 36 HE1 PHE 36 -1.519 -1.835 0.479 284 HE2 PHE 36 HE2 PHE 36 -1.122 -1.065 4.687 285 HZ PHE 36 HZ PHE 36 -1.539 -0.246 2.385 286 H GLY 37 H GLY 37 2.840 -6.244 3.497 287 1HA GLY 37 2HA GLY 37 3.853 -7.990 4.716 288 2HA GLY 37 1HA GLY 37 2.314 -8.848 4.680 289 H ARG 38 H ARG 38 3.592 -7.751 1.646 290 HA ARG 38 HA ARG 38 4.891 -10.358 1.117 291 1HB ARG 38 2HB ARG 38 2.484 -10.691 0.572 292 2HB ARG 38 1HB ARG 38 2.578 -9.342 -0.561 293 1HG ARG 38 2HG ARG 38 4.424 -10.567 -1.756 294 2HG ARG 38 1HG ARG 38 4.113 -11.951 -0.708 295 1HD ARG 38 2HD ARG 38 2.473 -12.600 -2.103 296 2HD ARG 38 1HD ARG 38 1.599 -11.117 -1.721 297 HE ARG 38 HE ARG 38 2.908 -11.655 -4.207 298 1HH1 ARG 38 1HH1 ARG 38 1.050 -9.368 -2.846 299 2HH1 ARG 38 2HH1 ARG 38 1.870 -7.987 -3.494 300 1HH2 ARG 38 1HH2 ARG 38 4.605 -9.806 -4.609 301 2HH2 ARG 38 2HH2 ARG 38 3.886 -8.234 -4.488 302 H LYS 39 H LYS 39 6.755 -9.877 0.079 303 HA LYS 39 HA LYS 39 7.273 -7.267 -1.029 304 1HB LYS 39 2HB LYS 39 9.418 -8.159 -1.672 305 2HB LYS 39 1HB LYS 39 9.013 -8.866 -0.107 306 1HG LYS 39 2HG LYS 39 8.054 -10.846 -1.369 307 2HG LYS 39 1HG LYS 39 8.768 -10.165 -2.830 308 1HD LYS 39 2HD LYS 39 10.655 -11.273 -2.268 309 2HD LYS 39 1HD LYS 39 10.847 -10.078 -0.984 310 1HE LYS 39 2HE LYS 39 10.636 -11.744 0.514 311 2HE LYS 39 1HE LYS 39 8.964 -11.938 -0.014 312 1HZ LYS 39 1HZ LYS 39 9.529 -13.910 -0.811 313 2HZ LYS 39 2HZ LYS 39 11.166 -13.657 -0.430 314 3HZ LYS 39 3HZ LYS 39 10.552 -13.153 -1.932 315 H THR 40 H THR 40 7.802 -6.863 -3.331 316 HA THR 40 HA THR 40 5.728 -7.774 -5.088 317 HB THR 40 HB THR 40 7.055 -5.608 -5.259 318 HG1 THR 40 HG1 THR 40 7.310 -6.127 -7.717 319 1HG2 THR 40 1HG2 THR 40 9.184 -7.479 -5.501 320 2HG2 THR 40 2HG2 THR 40 9.278 -5.718 -5.538 321 3HG2 THR 40 3HG2 THR 40 9.052 -6.620 -7.036 322 H GLY 41 H GLY 41 6.695 -8.529 -7.451 323 1HA GLY 41 2HA GLY 41 7.459 -10.396 -8.643 324 2HA GLY 41 1HA GLY 41 8.843 -10.362 -7.551 325 H GLN 42 H GLN 42 5.502 -11.543 -7.860 326 HA GLN 42 HA GLN 42 6.281 -13.999 -6.441 327 1HB GLN 42 2HB GLN 42 5.157 -11.881 -4.963 328 2HB GLN 42 1HB GLN 42 3.846 -13.038 -5.203 329 1HG GLN 42 2HG GLN 42 5.155 -13.540 -3.153 330 2HG GLN 42 1HG GLN 42 5.252 -14.848 -4.332 331 1HE2 GLN 42 1HE2 GLN 42 7.054 -11.857 -3.399 332 2HE2 GLN 42 2HE2 GLN 42 8.586 -12.503 -3.739 333 H ALA 43 H ALA 43 3.344 -12.178 -7.431 334 HA ALA 43 HA ALA 43 1.628 -14.261 -7.990 335 1HB ALA 43 1HB ALA 43 1.009 -12.773 -10.104 336 2HB ALA 43 2HB ALA 43 2.103 -11.629 -9.329 337 3HB ALA 43 3HB ALA 43 0.675 -12.204 -8.469 338 HA PRO 44 HA PRO 44 3.781 -16.600 -11.084 339 1HB PRO 44 2HB PRO 44 1.735 -18.360 -11.600 340 2HB PRO 44 1HB PRO 44 2.780 -18.466 -10.173 341 1HG PRO 44 2HG PRO 44 -0.049 -17.545 -10.364 342 2HG PRO 44 1HG PRO 44 0.814 -18.240 -8.982 343 1HD PRO 44 2HD PRO 44 0.244 -15.491 -9.376 344 2HD PRO 44 1HD PRO 44 1.364 -16.168 -8.174 345 H GLY 45 H GLY 45 3.961 -16.278 -13.289 346 1HA GLY 45 2HA GLY 45 3.220 -15.961 -15.528 347 2HA GLY 45 1HA GLY 45 1.566 -15.817 -14.932 348 H TYR 46 H TYR 46 2.993 -13.849 -12.878 349 HA TYR 46 HA TYR 46 3.152 -11.528 -14.746 350 1HB TYR 46 2HB TYR 46 0.901 -11.580 -13.725 351 2HB TYR 46 1HB TYR 46 1.631 -11.593 -12.124 352 HD1 TYR 46 HD1 TYR 46 3.764 -9.606 -14.081 353 HD2 TYR 46 HD2 TYR 46 -0.108 -9.514 -12.245 354 HE1 TYR 46 HE1 TYR 46 3.818 -7.134 -14.074 355 HE2 TYR 46 HE2 TYR 46 -0.047 -7.050 -12.261 356 HH TYR 46 HH TYR 46 1.339 -5.246 -12.471 357 H SER 47 H SER 47 5.500 -11.969 -14.333 358 HA SER 47 HA SER 47 6.596 -11.570 -11.686 359 1HB SER 47 2HB SER 47 8.264 -10.801 -14.010 360 2HB SER 47 1HB SER 47 8.623 -11.915 -12.695 361 HG SER 47 HG SER 47 6.884 -13.232 -13.840 362 H TYR 48 H TYR 48 5.625 -9.655 -10.868 363 HA TYR 48 HA TYR 48 5.172 -7.236 -12.129 364 1HB TYR 48 2HB TYR 48 6.387 -7.421 -9.372 365 2HB TYR 48 1HB TYR 48 5.328 -6.159 -9.989 366 HD1 TYR 48 HD1 TYR 48 3.685 -8.531 -11.530 367 HD2 TYR 48 HD2 TYR 48 4.784 -7.614 -7.500 368 HE1 TYR 48 HE1 TYR 48 1.711 -9.786 -10.705 369 HE2 TYR 48 HE2 TYR 48 2.811 -8.859 -6.662 370 HH TYR 48 HH TYR 48 0.249 -9.725 -8.571 371 H THR 49 H THR 49 6.557 -5.140 -11.590 372 HA THR 49 HA THR 49 8.955 -5.282 -13.109 373 HB THR 49 HB THR 49 8.391 -3.171 -11.020 374 HG1 THR 49 HG1 THR 49 6.975 -2.268 -12.395 375 1HG2 THR 49 1HG2 THR 49 10.503 -3.455 -12.688 376 2HG2 THR 49 2HG2 THR 49 9.881 -1.886 -12.182 377 3HG2 THR 49 3HG2 THR 49 9.406 -2.561 -13.739 378 H ALA 50 H ALA 50 10.160 -7.003 -12.198 379 HA ALA 50 HA ALA 50 10.969 -7.642 -9.693 380 1HB ALA 50 1HB ALA 50 13.341 -7.347 -11.357 381 2HB ALA 50 2HB ALA 50 12.000 -8.063 -12.252 382 3HB ALA 50 3HB ALA 50 12.571 -8.818 -10.763 383 H ALA 51 H ALA 51 11.895 -4.755 -11.449 384 HA ALA 51 HA ALA 51 14.038 -3.648 -10.238 385 1HB ALA 51 1HB ALA 51 12.589 -1.466 -10.028 386 2HB ALA 51 2HB ALA 51 11.349 -2.443 -10.813 387 3HB ALA 51 3HB ALA 51 12.890 -2.158 -11.622 388 H ASN 52 H ASN 52 10.818 -3.379 -8.688 389 HA ASN 52 HA ASN 52 11.814 -2.491 -6.165 390 1HB ASN 52 2HB ASN 52 9.396 -2.422 -6.978 391 2HB ASN 52 1HB ASN 52 9.313 -4.140 -6.591 392 1HD2 ASN 52 1HD2 ASN 52 8.357 -4.428 -4.579 393 2HD2 ASN 52 2HD2 ASN 52 8.621 -3.441 -3.224 394 H LYS 53 H LYS 53 10.716 -5.739 -7.172 395 HA LYS 53 HA LYS 53 11.204 -7.231 -4.917 396 1HB LYS 53 2HB LYS 53 10.529 -7.975 -7.325 397 2HB LYS 53 1HB LYS 53 12.259 -8.233 -7.550 398 1HG LYS 53 2HG LYS 53 11.986 -9.478 -5.195 399 2HG LYS 53 1HG LYS 53 10.339 -9.688 -5.790 400 1HD LYS 53 2HD LYS 53 11.526 -11.592 -6.581 401 2HD LYS 53 1HD LYS 53 11.405 -10.516 -7.974 402 1HE LYS 53 2HE LYS 53 13.676 -11.187 -7.955 403 2HE LYS 53 1HE LYS 53 13.688 -9.583 -7.222 404 1HZ LYS 53 1HZ LYS 53 14.339 -10.406 -5.274 405 2HZ LYS 53 2HZ LYS 53 14.729 -11.828 -6.118 406 3HZ LYS 53 3HZ LYS 53 13.232 -11.691 -5.329 407 H ASN 54 H ASN 54 13.650 -5.728 -6.945 408 HA ASN 54 HA ASN 54 15.776 -7.152 -5.497 409 1HB ASN 54 2HB ASN 54 17.287 -6.341 -7.134 410 2HB ASN 54 1HB ASN 54 15.820 -6.729 -8.030 411 1HD2 ASN 54 1HD2 ASN 54 15.312 -5.110 -9.500 412 2HD2 ASN 54 2HD2 ASN 54 15.587 -3.452 -9.262 413 H LYS 55 H LYS 55 14.375 -3.922 -5.793 414 HA LYS 55 HA LYS 55 16.363 -2.420 -4.485 415 1HB LYS 55 2HB LYS 55 14.105 -1.650 -5.491 416 2HB LYS 55 1HB LYS 55 13.426 -2.039 -3.911 417 1HG LYS 55 2HG LYS 55 13.997 0.248 -3.733 418 2HG LYS 55 1HG LYS 55 15.345 -0.583 -2.954 419 1HD LYS 55 2HD LYS 55 16.602 -0.487 -5.106 420 2HD LYS 55 1HD LYS 55 15.276 0.439 -5.809 421 1HE LYS 55 2HE LYS 55 17.108 1.911 -5.002 422 2HE LYS 55 1HE LYS 55 15.594 2.212 -4.148 423 1HZ LYS 55 1HZ LYS 55 17.645 0.344 -3.117 424 2HZ LYS 55 2HZ LYS 55 16.339 1.036 -2.281 425 3HZ LYS 55 3HZ LYS 55 17.662 1.998 -2.742 426 H GLY 56 H GLY 56 14.336 -4.927 -3.249 427 1HA GLY 56 1HA GLY 56 14.406 -5.984 -1.146 428 2HA GLY 56 2HA GLY 56 15.717 -4.893 -0.696 429 H ILE 57 H ILE 57 12.175 -4.975 -1.164 430 HA ILE 57 HA ILE 57 11.901 -3.267 1.234 431 HB ILE 57 HB ILE 57 12.090 -1.781 -0.832 432 1HG1 ILE 57 2HG1 ILE 57 10.983 -1.149 1.352 433 2HG1 ILE 57 1HG1 ILE 57 10.357 -0.291 -0.055 434 1HG2 ILE 57 1HG2 ILE 57 9.330 -2.918 -1.366 435 2HG2 ILE 57 2HG2 ILE 57 10.770 -3.307 -2.309 436 3HG2 ILE 57 3HG2 ILE 57 10.146 -1.658 -2.291 437 1HD1 ILE 57 1HD1 ILE 57 9.003 -2.197 1.730 438 2HD1 ILE 57 2HD1 ILE 57 8.754 -2.539 0.020 439 3HD1 ILE 57 3HD1 ILE 57 8.317 -0.963 0.675 440 H ILE 58 H ILE 58 10.239 -4.022 2.432 441 HA ILE 58 HA ILE 58 8.348 -5.951 1.215 442 HB ILE 58 HB ILE 58 9.215 -6.647 3.345 443 1HG1 ILE 58 2HG1 ILE 58 7.210 -6.906 4.633 444 2HG1 ILE 58 1HG1 ILE 58 6.525 -5.413 3.990 445 1HG2 ILE 58 1HG2 ILE 58 8.408 -4.782 5.239 446 2HG2 ILE 58 2HG2 ILE 58 9.002 -3.783 3.912 447 3HG2 ILE 58 3HG2 ILE 58 10.055 -4.994 4.643 448 1HD1 ILE 58 1HD1 ILE 58 7.176 -7.839 2.295 449 2HD1 ILE 58 2HD1 ILE 58 6.320 -6.386 1.780 450 3HD1 ILE 58 3HD1 ILE 58 5.572 -7.487 2.938 451 H TRP 59 H TRP 59 6.816 -4.791 0.072 452 HA TRP 59 HA TRP 59 5.876 -2.242 0.444 453 1HB TRP 59 2HB TRP 59 4.353 -4.716 -0.378 454 2HB TRP 59 1HB TRP 59 3.640 -3.103 -0.431 455 HD1 TRP 59 HD1 TRP 59 4.809 -5.235 -2.852 456 HE1 TRP 59 HE1 TRP 59 6.162 -4.103 -4.723 457 HE3 TRP 59 HE3 TRP 59 5.997 -0.802 -0.567 458 HZ2 TRP 59 HZ2 TRP 59 7.574 -1.674 -5.193 459 HZ3 TRP 59 HZ3 TRP 59 7.361 0.882 -1.753 460 HH2 TRP 59 HH2 TRP 59 8.153 0.449 -4.062 461 H GLY 60 H GLY 60 5.425 -1.338 2.364 462 1HA GLY 60 1HA GLY 60 3.354 -2.663 4.061 463 2HA GLY 60 2HA GLY 60 4.795 -1.952 4.791 464 H GLU 61 H GLU 61 3.412 -0.445 5.962 465 HA GLU 61 HA GLU 61 1.697 1.390 4.489 466 1HB GLU 61 2HB GLU 61 1.107 0.926 6.777 467 2HB GLU 61 1HB GLU 61 2.716 1.378 7.341 468 1HG GLU 61 2HG GLU 61 2.339 3.657 7.008 469 2HG GLU 61 1HG GLU 61 1.076 3.375 5.809 470 H ASP 62 H ASP 62 4.370 2.310 6.662 471 HA ASP 62 HA ASP 62 4.886 4.754 5.301 472 1HB ASP 62 2HB ASP 62 5.590 4.335 7.625 473 2HB ASP 62 1HB ASP 62 6.745 3.128 7.059 474 H THR 63 H THR 63 6.327 1.530 4.940 475 HA THR 63 HA THR 63 8.481 2.277 3.241 476 HB THR 63 HB THR 63 7.670 -0.236 2.344 477 HG1 THR 63 HG1 THR 63 7.294 -1.184 4.525 478 1HG2 THR 63 1HG2 THR 63 9.605 -0.953 3.405 479 2HG2 THR 63 2HG2 THR 63 9.320 0.047 4.828 480 3HG2 THR 63 3HG2 THR 63 9.897 0.784 3.334 481 H LEU 64 H LEU 64 5.262 0.995 2.352 482 HA LEU 64 HA LEU 64 5.595 1.427 -0.459 483 1HB LEU 64 2HB LEU 64 3.758 0.108 0.946 484 2HB LEU 64 1HB LEU 64 2.882 1.629 0.786 485 HG LEU 64 HG LEU 64 4.091 0.102 -1.536 486 1HD1 LEU 64 1HD1 LEU 64 2.159 -1.063 -1.748 487 2HD1 LEU 64 2HD1 LEU 64 1.170 0.343 -1.358 488 3HD1 LEU 64 3HD1 LEU 64 1.871 -0.628 -0.063 489 1HD2 LEU 64 1HD2 LEU 64 3.896 2.253 -2.349 490 2HD2 LEU 64 2HD2 LEU 64 2.629 2.683 -1.200 491 3HD2 LEU 64 3HD2 LEU 64 2.240 1.711 -2.620 492 H MET 65 H MET 65 4.937 3.589 2.150 493 HA MET 65 HA MET 65 3.548 5.641 0.723 494 1HB MET 65 2HB MET 65 3.690 5.597 3.184 495 2HB MET 65 1HB MET 65 5.429 5.878 3.090 496 1HG MET 65 2HG MET 65 3.882 7.824 1.541 497 2HG MET 65 1HG MET 65 3.494 7.853 3.262 498 1HE MET 65 1HE MET 65 5.840 10.498 4.099 499 2HE MET 65 2HE MET 65 4.787 9.312 4.866 500 3HE MET 65 3HE MET 65 4.230 10.180 3.437 501 H GLU 66 H GLU 66 7.024 5.137 1.365 502 HA GLU 66 HA GLU 66 7.896 7.471 -0.042 503 1HB GLU 66 2HB GLU 66 9.191 5.902 1.601 504 2HB GLU 66 1HB GLU 66 9.559 4.974 0.147 505 1HG GLU 66 2HG GLU 66 11.309 6.415 -0.061 506 2HG GLU 66 1HG GLU 66 10.093 7.525 -0.697 507 H TYR 67 H TYR 67 7.732 4.033 -1.063 508 HA TYR 67 HA TYR 67 8.679 4.370 -3.697 509 1HB TYR 67 2HB TYR 67 8.328 2.136 -3.022 510 2HB TYR 67 1HB TYR 67 6.684 2.463 -2.480 511 HD1 TYR 67 HD1 TYR 67 5.068 1.447 -3.800 512 HD2 TYR 67 HD2 TYR 67 8.608 2.990 -5.681 513 HE1 TYR 67 HE1 TYR 67 4.189 0.763 -6.013 514 HE2 TYR 67 HE2 TYR 67 7.724 2.306 -7.892 515 HH TYR 67 HH TYR 67 6.158 0.837 -8.869 516 H LEU 68 H LEU 68 5.389 4.860 -2.422 517 HA LEU 68 HA LEU 68 4.241 5.459 -5.001 518 1HB LEU 68 2HB LEU 68 3.290 5.146 -2.367 519 2HB LEU 68 1HB LEU 68 2.865 6.793 -2.838 520 HG LEU 68 HG LEU 68 1.988 5.807 -5.020 521 1HD1 LEU 68 1HD1 LEU 68 2.451 3.633 -5.387 522 2HD1 LEU 68 2HD1 LEU 68 1.326 3.236 -4.088 523 3HD1 LEU 68 3HD1 LEU 68 3.043 3.430 -3.738 524 1HD2 LEU 68 1HD2 LEU 68 -0.047 5.924 -4.039 525 2HD2 LEU 68 2HD2 LEU 68 0.809 6.127 -2.510 526 3HD2 LEU 68 3HD2 LEU 68 0.289 4.522 -3.021 527 H GLU 69 H GLU 69 5.813 7.409 -2.513 528 HA GLU 69 HA GLU 69 5.077 9.975 -3.488 529 1HB GLU 69 2HB GLU 69 6.492 9.143 -1.381 530 2HB GLU 69 1HB GLU 69 7.837 9.492 -2.457 531 1HG GLU 69 2HG GLU 69 6.713 11.765 -2.869 532 2HG GLU 69 1HG GLU 69 5.702 11.389 -1.472 533 H ASN 70 H ASN 70 7.218 7.527 -4.617 534 HA ASN 70 HA ASN 70 7.575 8.784 -7.188 535 1HB ASN 70 2HB ASN 70 9.230 9.986 -5.531 536 2HB ASN 70 1HB ASN 70 10.165 8.500 -5.685 537 1HD2 ASN 70 1HD2 ASN 70 11.113 11.025 -6.711 538 2HD2 ASN 70 2HD2 ASN 70 11.179 10.912 -8.404 539 HA PRO 71 HA PRO 71 8.047 4.282 -7.164 540 1HB PRO 71 2HB PRO 71 6.811 3.948 -9.608 541 2HB PRO 71 1HB PRO 71 5.948 4.015 -8.062 542 1HG PRO 71 2HG PRO 71 6.136 6.082 -10.195 543 2HG PRO 71 1HG PRO 71 4.882 5.847 -8.971 544 1HD PRO 71 2HD PRO 71 6.929 7.803 -8.881 545 2HD PRO 71 1HD PRO 71 5.873 7.333 -7.533 546 H LYS 72 H LYS 72 8.715 6.517 -9.857 547 HA LYS 72 HA LYS 72 10.536 4.702 -11.175 548 1HB LYS 72 2HB LYS 72 9.561 6.415 -12.530 549 2HB LYS 72 1HB LYS 72 10.062 7.679 -11.407 550 1HG LYS 72 2HG LYS 72 12.336 7.486 -12.015 551 2HG LYS 72 1HG LYS 72 12.093 5.902 -12.755 552 1HD LYS 72 2HD LYS 72 10.556 8.210 -13.868 553 2HD LYS 72 1HD LYS 72 12.277 8.111 -14.240 554 1HE LYS 72 2HE LYS 72 12.046 6.145 -15.442 555 2HE LYS 72 1HE LYS 72 10.619 5.637 -14.540 556 1HZ LYS 72 1HZ LYS 72 10.761 7.791 -16.577 557 2HZ LYS 72 2HZ LYS 72 9.391 7.457 -15.630 558 3HZ LYS 72 3HZ LYS 72 9.967 6.300 -16.731 559 H LYS 73 H LYS 73 10.743 6.496 -8.330 560 HA LYS 73 HA LYS 73 13.670 6.914 -8.524 561 1HB LYS 73 2HB LYS 73 12.412 8.729 -7.517 562 2HB LYS 73 1HB LYS 73 11.646 7.617 -6.382 563 1HG LYS 73 2HG LYS 73 13.507 8.844 -5.312 564 2HG LYS 73 1HG LYS 73 13.834 7.112 -5.378 565 1HD LYS 73 2HD LYS 73 15.525 7.346 -6.908 566 2HD LYS 73 1HD LYS 73 14.750 8.713 -7.709 567 1HE LYS 73 2HE LYS 73 15.698 10.253 -6.295 568 2HE LYS 73 1HE LYS 73 15.670 9.157 -4.915 569 1HZ LYS 73 1HZ LYS 73 17.900 9.282 -5.433 570 2HZ LYS 73 2HZ LYS 73 17.629 9.322 -7.110 571 3HZ LYS 73 3HZ LYS 73 17.431 7.872 -6.248 572 H TYR 74 H TYR 74 11.411 5.383 -6.202 573 HA TYR 74 HA TYR 74 13.425 3.907 -4.805 574 1HB TYR 74 2HB TYR 74 10.790 4.359 -4.387 575 2HB TYR 74 1HB TYR 74 10.700 2.737 -5.067 576 HD1 TYR 74 HD1 TYR 74 13.728 2.293 -3.909 577 HD2 TYR 74 HD2 TYR 74 9.891 3.311 -2.268 578 HE1 TYR 74 HE1 TYR 74 14.407 1.336 -1.722 579 HE2 TYR 74 HE2 TYR 74 10.570 2.357 -0.083 580 HH TYR 74 HH TYR 74 13.154 0.335 0.313 581 H ILE 75 H ILE 75 10.977 2.687 -7.083 582 HA ILE 75 HA ILE 75 12.513 0.279 -7.620 583 HB ILE 75 HB ILE 75 10.183 1.185 -9.283 584 1HG1 ILE 75 2HG1 ILE 75 9.436 1.762 -7.055 585 2HG1 ILE 75 1HG1 ILE 75 8.692 0.222 -7.478 586 1HG2 ILE 75 1HG2 ILE 75 9.791 -1.394 -8.464 587 2HG2 ILE 75 2HG2 ILE 75 11.551 -1.290 -8.491 588 3HG2 ILE 75 3HG2 ILE 75 10.625 -0.935 -9.948 589 1HD1 ILE 75 1HD1 ILE 75 9.539 -0.041 -5.256 590 2HD1 ILE 75 2HD1 ILE 75 11.087 0.686 -5.690 591 3HD1 ILE 75 3HD1 ILE 75 10.653 -0.906 -6.313 592 HA PRO 76 HA PRO 76 14.726 2.496 -10.833 593 1HB PRO 76 2HB PRO 76 16.477 0.443 -11.369 594 2HB PRO 76 1HB PRO 76 16.674 1.579 -10.023 595 1HG PRO 76 2HG PRO 76 15.766 -1.264 -9.966 596 2HG PRO 76 1HG PRO 76 16.590 -0.324 -8.711 597 1HD PRO 76 2HD PRO 76 13.835 -0.913 -8.761 598 2HD PRO 76 1HD PRO 76 14.607 0.333 -7.759 599 H GLY 77 H GLY 77 12.581 2.150 -12.066 600 1HA GLY 77 2HA GLY 77 12.403 1.637 -14.539 601 2HA GLY 77 1HA GLY 77 12.950 0.013 -14.126 602 H THR 78 H THR 78 10.695 1.718 -12.024 603 HA THR 78 HA THR 78 8.825 -0.370 -11.908 604 HB THR 78 HB THR 78 8.835 1.764 -10.488 605 HG1 THR 78 HG1 THR 78 6.441 1.759 -10.494 606 1HG2 THR 78 1HG2 THR 78 8.798 3.245 -12.579 607 2HG2 THR 78 2HG2 THR 78 7.680 3.688 -11.288 608 3HG2 THR 78 3HG2 THR 78 7.089 2.831 -12.711 609 H LYS 79 H LYS 79 6.652 -0.502 -12.914 610 HA LYS 79 HA LYS 79 6.799 0.334 -15.768 611 1HB LYS 79 2HB LYS 79 5.946 -2.068 -14.452 612 2HB LYS 79 1HB LYS 79 4.559 -1.362 -15.285 613 1HG LYS 79 2HG LYS 79 5.407 -1.837 -17.325 614 2HG LYS 79 1HG LYS 79 7.011 -1.252 -16.882 615 1HD LYS 79 2HD LYS 79 7.757 -3.338 -16.424 616 2HD LYS 79 1HD LYS 79 6.298 -3.743 -15.518 617 1HE LYS 79 2HE LYS 79 5.104 -4.313 -17.514 618 2HE LYS 79 1HE LYS 79 6.358 -3.618 -18.541 619 1HZ LYS 79 1HZ LYS 79 6.238 -6.185 -18.053 620 2HZ LYS 79 2HZ LYS 79 7.137 -5.736 -16.682 621 3HZ LYS 79 3HZ LYS 79 7.723 -5.387 -18.238 622 H MET 80 H MET 80 5.566 1.478 -12.927 623 HA MET 80 HA MET 80 3.127 2.517 -14.307 624 1HB MET 80 2HB MET 80 2.123 2.840 -12.103 625 2HB MET 80 1HB MET 80 2.671 1.187 -12.287 626 1HG MET 80 2HG MET 80 4.620 1.579 -10.978 627 2HG MET 80 1HG MET 80 4.289 3.299 -10.912 628 1HE MET 80 1HE MET 80 1.672 4.125 -8.985 629 2HE MET 80 2HE MET 80 3.290 4.422 -9.615 630 3HE MET 80 3HE MET 80 3.085 3.914 -7.941 631 H ILE 81 H ILE 81 3.206 4.570 -14.874 632 HA ILE 81 HA ILE 81 5.310 6.336 -13.779 633 HB ILE 81 HB ILE 81 4.940 6.268 -16.231 634 1HG1 ILE 81 2HG1 ILE 81 4.033 8.917 -15.062 635 2HG1 ILE 81 1HG1 ILE 81 5.708 8.367 -15.057 636 1HG2 ILE 81 1HG2 ILE 81 2.529 7.786 -16.409 637 2HG2 ILE 81 2HG2 ILE 81 2.202 6.377 -15.399 638 3HG2 ILE 81 3HG2 ILE 81 2.841 6.164 -17.029 639 1HD1 ILE 81 1HD1 ILE 81 5.569 8.131 -17.555 640 2HD1 ILE 81 2HD1 ILE 81 5.388 9.792 -16.992 641 3HD1 ILE 81 3HD1 ILE 81 3.969 8.870 -17.486 642 H PHE 82 H PHE 82 3.749 5.900 -11.745 643 HA PHE 82 HA PHE 82 1.373 7.563 -11.616 644 1HB PHE 82 2HB PHE 82 1.788 5.497 -10.245 645 2HB PHE 82 1HB PHE 82 2.997 6.403 -9.337 646 HD1 PHE 82 HD1 PHE 82 2.332 7.550 -7.427 647 HD2 PHE 82 HD2 PHE 82 -0.572 6.675 -10.469 648 HE1 PHE 82 HE1 PHE 82 0.544 8.475 -5.984 649 HE2 PHE 82 HE2 PHE 82 -2.362 7.604 -9.025 650 HZ PHE 82 HZ PHE 82 -1.800 8.497 -6.782 651 H VAL 83 H VAL 83 1.148 9.483 -10.308 652 HA VAL 83 HA VAL 83 3.639 11.107 -10.249 653 HB VAL 83 HB VAL 83 1.654 12.012 -11.451 654 1HG1 VAL 83 1HG1 VAL 83 -0.166 12.873 -9.748 655 2HG1 VAL 83 2HG1 VAL 83 0.429 11.546 -8.749 656 3HG1 VAL 83 3HG1 VAL 83 -0.240 11.216 -10.347 657 1HG2 VAL 83 1HG2 VAL 83 1.597 14.216 -10.235 658 2HG2 VAL 83 2HG2 VAL 83 3.228 13.605 -10.506 659 3HG2 VAL 83 3HG2 VAL 83 2.486 13.456 -8.914 660 H GLY 84 H GLY 84 4.235 12.241 -8.321 661 1HA GLY 84 2HA GLY 84 3.510 10.840 -5.859 662 2HA GLY 84 1HA GLY 84 4.664 12.168 -5.994 663 H ILE 85 H ILE 85 1.754 11.377 -4.673 664 HA ILE 85 HA ILE 85 0.260 13.818 -5.184 665 HB ILE 85 HB ILE 85 0.000 11.700 -3.025 666 1HG1 ILE 85 2HG1 ILE 85 -1.833 12.200 -5.372 667 2HG1 ILE 85 1HG1 ILE 85 -0.411 11.169 -5.532 668 1HG2 ILE 85 1HG2 ILE 85 -0.917 14.074 -2.540 669 2HG2 ILE 85 2HG2 ILE 85 -2.025 12.713 -2.357 670 3HG2 ILE 85 3HG2 ILE 85 -2.099 13.723 -3.801 671 1HD1 ILE 85 1HD1 ILE 85 -2.912 10.720 -3.965 672 2HD1 ILE 85 2HD1 ILE 85 -1.404 10.100 -3.292 673 3HD1 ILE 85 3HD1 ILE 85 -1.941 9.570 -4.886 674 H LYS 86 H LYS 86 0.463 15.754 -4.119 675 HA LYS 86 HA LYS 86 2.659 16.114 -2.250 676 1HB LYS 86 2HB LYS 86 1.743 17.833 -3.940 677 2HB LYS 86 1HB LYS 86 0.455 18.113 -2.768 678 1HG LYS 86 2HG LYS 86 2.224 19.727 -2.363 679 2HG LYS 86 1HG LYS 86 2.210 18.567 -1.034 680 1HD LYS 86 2HD LYS 86 4.060 17.334 -2.034 681 2HD LYS 86 1HD LYS 86 4.033 18.384 -3.450 682 1HE LYS 86 2HE LYS 86 5.705 19.423 -2.240 683 2HE LYS 86 1HE LYS 86 4.305 20.284 -1.600 684 1HZ LYS 86 1HZ LYS 86 4.844 19.535 0.395 685 2HZ LYS 86 2HZ LYS 86 6.122 18.613 -0.240 686 3HZ LYS 86 3HZ LYS 86 4.563 17.946 -0.128 687 H LYS 87 H LYS 87 -0.902 16.296 -1.963 688 HA LYS 87 HA LYS 87 -0.875 16.780 0.874 689 1HB LYS 87 2HB LYS 87 -2.838 16.470 -1.187 690 2HB LYS 87 1HB LYS 87 -3.258 15.388 0.142 691 1HG LYS 87 2HG LYS 87 -3.504 17.129 1.665 692 2HG LYS 87 1HG LYS 87 -2.415 18.195 0.777 693 1HD LYS 87 2HD LYS 87 -4.104 18.415 -1.017 694 2HD LYS 87 1HD LYS 87 -5.199 17.378 -0.102 695 1HE LYS 87 2HE LYS 87 -4.263 19.436 1.647 696 2HE LYS 87 1HE LYS 87 -4.821 20.197 0.158 697 1HZ LYS 87 1HZ LYS 87 -6.580 18.120 0.971 698 2HZ LYS 87 2HZ LYS 87 -6.915 19.760 0.683 699 3HZ LYS 87 3HZ LYS 87 -6.383 19.255 2.216 700 H LYS 88 H LYS 88 0.427 15.274 1.945 701 HA LYS 88 HA LYS 88 0.501 12.483 1.458 702 1HB LYS 88 2HB LYS 88 1.099 14.174 3.876 703 2HB LYS 88 1HB LYS 88 1.193 12.415 3.965 704 1HG LYS 88 2HG LYS 88 3.336 12.767 3.249 705 2HG LYS 88 1HG LYS 88 2.563 12.843 1.664 706 1HD LYS 88 2HD LYS 88 2.889 15.086 1.473 707 2HD LYS 88 1HD LYS 88 2.526 15.380 3.174 708 1HE LYS 88 2HE LYS 88 4.894 13.976 3.313 709 2HE LYS 88 1HE LYS 88 5.120 14.951 1.863 710 1HZ LYS 88 1HZ LYS 88 4.014 16.712 3.561 711 2HZ LYS 88 2HZ LYS 88 5.685 16.542 3.306 712 3HZ LYS 88 3HZ LYS 88 4.941 15.771 4.624 713 H GLU 89 H GLU 89 -1.737 14.426 3.381 714 HA GLU 89 HA GLU 89 -2.986 12.467 4.931 715 1HB GLU 89 2HB GLU 89 -3.703 14.767 5.101 716 2HB GLU 89 1HB GLU 89 -4.223 14.783 3.415 717 1HG GLU 89 2HG GLU 89 -6.088 13.437 3.837 718 2HG GLU 89 1HG GLU 89 -5.392 12.770 5.315 719 H GLU 90 H GLU 90 -3.855 13.359 1.570 720 HA GLU 90 HA GLU 90 -5.783 11.292 1.213 721 1HB GLU 90 2HB GLU 90 -4.915 13.370 -0.317 722 2HB GLU 90 1HB GLU 90 -4.149 12.017 -1.149 723 1HG GLU 90 2HG GLU 90 -6.169 11.866 -2.203 724 2HG GLU 90 1HG GLU 90 -6.630 10.988 -0.744 725 H ARG 91 H ARG 91 -2.284 11.360 0.499 726 HA ARG 91 HA ARG 91 -1.999 8.839 -0.686 727 1HB ARG 91 2HB ARG 91 -0.204 10.643 -0.108 728 2HB ARG 91 1HB ARG 91 -0.051 9.770 1.417 729 1HG ARG 91 2HG ARG 91 -0.007 7.707 -0.379 730 2HG ARG 91 1HG ARG 91 0.798 8.978 -1.299 731 1HD ARG 91 2HD ARG 91 1.741 8.948 1.444 732 2HD ARG 91 1HD ARG 91 1.948 7.364 0.693 733 HE ARG 91 HE ARG 91 3.788 8.384 -0.365 734 1HH1 ARG 91 1HH2 ARG 91 3.477 11.074 0.870 735 2HH1 ARG 91 2HH2 ARG 91 3.185 12.086 -0.504 736 1HH2 ARG 91 1HH1 ARG 91 2.379 9.445 -2.606 737 2HH2 ARG 91 2HH1 ARG 91 2.559 11.163 -2.474 738 H ALA 92 H ALA 92 -2.420 9.649 2.729 739 HA ALA 92 HA ALA 92 -1.913 7.036 3.773 740 1HB ALA 92 1HB ALA 92 -3.732 8.133 5.519 741 2HB ALA 92 2HB ALA 92 -3.057 9.568 4.746 742 3HB ALA 92 3HB ALA 92 -1.994 8.426 5.568 743 H ASP 93 H ASP 93 -4.900 8.672 2.728 744 HA ASP 93 HA ASP 93 -6.775 6.702 3.427 745 1HB ASP 93 2HB ASP 93 -6.877 9.039 2.007 746 2HB ASP 93 1HB ASP 93 -7.144 7.853 0.729 747 H LEU 94 H LEU 94 -4.518 6.798 0.709 748 HA LEU 94 HA LEU 94 -5.580 4.544 -0.713 749 1HB LEU 94 2HB LEU 94 -2.677 5.410 -0.607 750 2HB LEU 94 1HB LEU 94 -3.485 4.535 -1.907 751 HG LEU 94 HG LEU 94 -3.964 7.398 -1.047 752 1HD1 LEU 94 1HD1 LEU 94 -2.460 6.057 -3.162 753 2HD1 LEU 94 2HD1 LEU 94 -2.403 7.742 -2.643 754 3HD1 LEU 94 3HD1 LEU 94 -3.620 7.219 -3.806 755 1HD2 LEU 94 1HD2 LEU 94 -5.754 7.461 -2.704 756 2HD2 LEU 94 2HD2 LEU 94 -6.100 6.186 -1.535 757 3HD2 LEU 94 3HD2 LEU 94 -5.462 5.774 -3.127 758 H ILE 95 H ILE 95 -2.765 4.749 1.494 759 HA ILE 95 HA ILE 95 -2.182 1.998 1.639 760 HB ILE 95 HB ILE 95 -2.037 3.984 3.928 761 1HG1 ILE 95 2HG1 ILE 95 -0.873 4.993 2.113 762 2HG1 ILE 95 1HG1 ILE 95 0.377 4.190 3.065 763 1HG2 ILE 95 1HG2 ILE 95 -1.505 1.956 4.909 764 2HG2 ILE 95 2HG2 ILE 95 0.080 2.416 4.289 765 3HG2 ILE 95 3HG2 ILE 95 -0.914 1.262 3.399 766 1HD1 ILE 95 1HD1 ILE 95 -0.858 3.298 0.463 767 2HD1 ILE 95 2HD1 ILE 95 -0.008 2.165 1.514 768 3HD1 ILE 95 3HD1 ILE 95 0.847 3.551 0.837 769 H ALA 96 H ALA 96 -3.887 3.752 4.204 770 HA ALA 96 HA ALA 96 -4.925 1.686 5.677 771 1HB ALA 96 1HB ALA 96 -5.639 4.432 5.234 772 2HB ALA 96 2HB ALA 96 -5.930 3.437 6.660 773 3HB ALA 96 3HB ALA 96 -7.111 3.468 5.350 774 H TYR 97 H TYR 97 -6.241 2.824 2.569 775 HA TYR 97 HA TYR 97 -8.568 1.186 2.583 776 1HB TYR 97 2HB TYR 97 -8.290 2.995 0.952 777 2HB TYR 97 1HB TYR 97 -6.925 2.147 0.223 778 HD1 TYR 97 HD1 TYR 97 -7.482 1.155 -1.812 779 HD2 TYR 97 HD2 TYR 97 -10.347 1.133 1.389 780 HE1 TYR 97 HE1 TYR 97 -9.043 -0.164 -3.217 781 HE2 TYR 97 HE2 TYR 97 -11.909 -0.183 -0.015 782 HH TYR 97 HH TYR 97 -11.548 -1.857 -2.092 783 H LEU 98 H LEU 98 -5.346 0.588 1.142 784 HA LEU 98 HA LEU 98 -6.044 -2.139 0.420 785 1HB LEU 98 2HB LEU 98 -3.587 -0.443 0.331 786 2HB LEU 98 1HB LEU 98 -3.368 -2.191 0.299 787 HG LEU 98 HG LEU 98 -3.534 -1.448 -1.987 788 1HD1 LEU 98 1HD1 LEU 98 -5.197 -2.899 -2.733 789 2HD1 LEU 98 2HD1 LEU 98 -6.327 -2.416 -1.467 790 3HD1 LEU 98 3HD1 LEU 98 -4.962 -3.465 -1.079 791 1HD2 LEU 98 1HD2 LEU 98 -4.810 0.299 -2.638 792 2HD2 LEU 98 2HD2 LEU 98 -5.149 0.564 -0.927 793 3HD2 LEU 98 3HD2 LEU 98 -6.257 -0.397 -1.909 794 H LYS 99 H LYS 99 -5.444 -0.718 3.361 795 HA LYS 99 HA LYS 99 -4.076 -3.081 4.482 796 1HB LYS 99 2HB LYS 99 -3.582 -0.509 4.983 797 2HB LYS 99 1HB LYS 99 -4.862 -0.752 6.170 798 1HG LYS 99 2HG LYS 99 -3.206 -3.013 6.400 799 2HG LYS 99 1HG LYS 99 -2.105 -1.642 6.259 800 1HD LYS 99 2HD LYS 99 -3.780 -0.537 7.991 801 2HD LYS 99 1HD LYS 99 -4.151 -2.220 8.371 802 1HE LYS 99 2HE LYS 99 -1.337 -2.071 8.192 803 2HE LYS 99 1HE LYS 99 -1.839 -0.663 9.127 804 1HZ LYS 99 1HZ LYS 99 -1.460 -2.831 10.374 805 2HZ LYS 99 2HZ LYS 99 -2.924 -3.353 9.687 806 3HZ LYS 99 3HZ LYS 99 -2.896 -1.989 10.700 807 H LYS 100 H LYS 100 -7.200 -1.819 4.062 808 HA LYS 100 HA LYS 100 -8.228 -3.464 6.340 809 1HB LYS 100 2HB LYS 100 -8.693 -0.877 6.091 810 2HB LYS 100 1HB LYS 100 -9.902 -1.415 4.926 811 1HG LYS 100 2HG LYS 100 -11.268 -2.200 6.547 812 2HG LYS 100 1HG LYS 100 -9.937 -2.981 7.400 813 1HD LYS 100 2HD LYS 100 -10.875 -1.230 8.817 814 2HD LYS 100 1HD LYS 100 -9.256 -0.755 8.301 815 1HE LYS 100 2HE LYS 100 -10.793 0.256 6.267 816 2HE LYS 100 1HE LYS 100 -11.865 0.458 7.653 817 1HZ LYS 100 1HZ LYS 100 -9.122 1.181 8.162 818 2HZ LYS 100 2HZ LYS 100 -10.554 2.012 8.541 819 3HZ LYS 100 3HZ LYS 100 -9.877 2.145 6.989 820 H ALA 101 H ALA 101 -8.843 -2.581 2.942 821 HA ALA 101 HA ALA 101 -10.937 -4.546 2.630 822 1HB ALA 101 1HB ALA 101 -11.302 -3.412 0.724 823 2HB ALA 101 2HB ALA 101 -9.691 -3.813 0.130 824 3HB ALA 101 3HB ALA 101 -9.929 -2.384 1.134 825 H THR 102 H THR 102 -7.447 -4.516 2.051 826 HA THR 102 HA THR 102 -7.661 -7.419 1.381 827 HB THR 102 HB THR 102 -5.440 -6.825 0.055 828 HG1 THR 102 HG1 THR 102 -5.312 -4.687 0.499 829 1HG2 THR 102 1HG2 THR 102 -7.142 -6.090 -1.879 830 2HG2 THR 102 2HG2 THR 102 -8.319 -6.652 -0.690 831 3HG2 THR 102 3HG2 THR 102 -7.070 -7.748 -1.281 832 H ASN 103 H ASN 103 -7.274 -6.568 4.003 833 HA ASN 103 HA ASN 103 -4.876 -7.931 4.718 834 1HB ASN 103 2HB ASN 103 -4.165 -5.523 3.793 835 2HB ASN 103 1HB ASN 103 -4.563 -5.054 5.446 836 1HD2 ASN 103 1HD2 ASN 103 -2.756 -5.141 6.782 837 2HD2 ASN 103 2HD2 ASN 103 -1.490 -6.262 6.644 838 H GLU 104 HN GLU 104 -7.522 -8.083 5.565 839 HA GLU 104 HA GLU 104 -7.180 -7.692 8.442 840 1HB GLU 104 2HB GLU 104 -8.163 -5.505 7.259 841 2HB GLU 104 1HB GLU 104 -9.666 -6.422 7.371 842 1HG GLU 104 2HG GLU 104 -9.235 -6.761 9.805 843 2HG GLU 104 1HG GLU 104 -7.803 -5.742 9.665 844 HHA HEC 105 HHA HEC 105 4.043 -2.737 -8.603 845 HHB HEC 105 HHB HEC 105 0.855 1.169 -4.828 846 HHC HEC 105 HHC HEC 105 -1.927 3.791 -9.867 847 HHD HEC 105 HHD HEC 105 1.027 -0.340 -13.632 848 1HMA HEC 105 1HMA HEC 105 3.308 -1.520 -3.673 849 2HMA HEC 105 2HMA HEC 105 1.682 -0.843 -3.605 850 3HMA HEC 105 3HMA HEC 105 3.078 0.228 -3.725 851 1HAA HEC 105 1HAA HEC 105 4.369 -2.632 -4.874 852 2HAA HEC 105 2HAA HEC 105 5.199 -2.424 -6.401 853 1HBA HEC 105 1HBA HEC 105 2.865 -4.001 -6.879 854 2HBA HEC 105 2HBA HEC 105 3.717 -4.682 -5.492 855 1HMB HEC 105 1HMB HEC 105 -2.068 2.906 -4.538 856 2HMB HEC 105 2HMB HEC 105 -0.838 4.167 -4.570 857 3HMB HEC 105 3HMB HEC 105 -0.396 2.516 -4.139 858 HAB HEC 105 HAB HEC 105 -2.408 4.970 -8.226 859 1HBB HEC 105 1HBB HEC 105 -2.118 5.362 -5.289 860 2HBB HEC 105 2HBB HEC 105 -2.521 6.536 -6.541 861 3HBB HEC 105 3HBB HEC 105 -0.885 5.883 -6.438 862 1HMC HEC 105 1HMC HEC 105 -2.767 3.253 -13.449 863 2HMC HEC 105 2HMC HEC 105 -2.910 3.795 -11.777 864 3HMC HEC 105 3HMC HEC 105 -1.697 4.513 -12.836 865 HAC HEC 105 HAC HEC 105 -0.003 0.931 -14.843 866 1HBC HEC 105 1HBC HEC 105 -0.061 2.799 -15.950 867 2HBC HEC 105 2HBC HEC 105 -0.633 3.632 -14.506 868 3HBC HEC 105 3HBC HEC 105 -1.791 2.962 -15.654 869 1HMD HEC 105 1HMD HEC 105 2.556 -1.520 -14.332 870 2HMD HEC 105 2HMD HEC 105 4.000 -2.427 -13.884 871 3HMD HEC 105 3HMD HEC 105 2.429 -3.221 -13.889 872 1HAD HEC 105 1HAD HEC 105 3.963 -4.413 -10.862 873 2HAD HEC 105 2HAD HEC 105 4.785 -3.638 -12.206 874 1HBD HEC 105 1HBD HEC 105 6.519 -3.534 -10.732 875 2HBD HEC 105 2HBD HEC 105 5.471 -3.660 -9.329 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 -8.886 10.693 8.521 2 2H GLY 1 2HT GLY 1 -8.989 9.061 8.984 3 3H GLY 1 3HT GLY 1 -10.329 10.088 9.175 4 1HA GLY 1 1HA GLY 1 -10.219 10.405 6.661 5 2HA GLY 1 2HA GLY 1 -9.200 8.965 6.689 6 H ASP 2 H ASP 2 -11.770 9.048 5.448 7 HA ASP 2 HA ASP 2 -13.423 7.406 7.318 8 1HB ASP 2 2HB ASP 2 -14.200 8.856 4.769 9 2HB ASP 2 1HB ASP 2 -15.296 7.896 5.762 10 H VAL 3 H VAL 3 -14.308 5.416 6.515 11 HA VAL 3 HA VAL 3 -12.501 3.952 4.785 12 HB VAL 3 HB VAL 3 -13.670 2.851 6.649 13 1HG1 VAL 3 1HG1 VAL 3 -15.758 4.244 6.432 14 2HG1 VAL 3 2HG1 VAL 3 -16.070 2.517 6.613 15 3HG1 VAL 3 3HG1 VAL 3 -16.195 3.274 5.025 16 1HG2 VAL 3 1HG2 VAL 3 -13.017 1.550 4.607 17 2HG2 VAL 3 2HG2 VAL 3 -14.642 1.806 3.970 18 3HG2 VAL 3 3HG2 VAL 3 -14.412 0.864 5.443 19 H GLU 4 H GLU 4 -15.744 5.341 4.407 20 HA GLU 4 HA GLU 4 -16.333 4.190 1.861 21 1HB GLU 4 2HB GLU 4 -17.332 6.478 3.467 22 2HB GLU 4 1HB GLU 4 -17.639 6.562 1.732 23 1HG GLU 4 2HG GLU 4 -18.617 4.274 1.824 24 2HG GLU 4 1HG GLU 4 -18.383 4.268 3.571 25 H LYS 5 H LYS 5 -14.194 6.769 2.785 26 HA LYS 5 HA LYS 5 -14.060 7.899 0.077 27 1HB LYS 5 2HB LYS 5 -13.705 9.176 2.289 28 2HB LYS 5 1HB LYS 5 -12.109 8.427 2.318 29 1HG LYS 5 2HG LYS 5 -11.541 9.412 0.177 30 2HG LYS 5 1HG LYS 5 -13.181 10.036 -0.016 31 1HD LYS 5 2HD LYS 5 -12.271 10.948 2.505 32 2HD LYS 5 1HD LYS 5 -10.954 11.233 1.367 33 1HE LYS 5 2HE LYS 5 -13.835 12.097 0.977 34 2HE LYS 5 1HE LYS 5 -12.499 13.157 1.423 35 1HZ LYS 5 1HZ LYS 5 -12.765 13.342 -0.897 36 2HZ LYS 5 2HZ LYS 5 -12.859 11.658 -1.107 37 3HZ LYS 5 3HZ LYS 5 -11.386 12.382 -0.667 38 H GLY 6 H GLY 6 -11.837 6.083 2.216 39 1HA GLY 6 1HA GLY 6 -9.668 5.835 0.456 40 2HA GLY 6 2HA GLY 6 -10.094 4.614 1.656 41 H LYS 7 H LYS 7 -12.555 3.740 0.680 42 HA LYS 7 HA LYS 7 -11.783 1.882 -1.330 43 1HB LYS 7 2HB LYS 7 -13.704 1.517 0.175 44 2HB LYS 7 1HB LYS 7 -14.572 2.835 -0.614 45 1HG LYS 7 2HG LYS 7 -14.920 1.628 -2.562 46 2HG LYS 7 1HG LYS 7 -13.489 0.625 -2.320 47 1HD LYS 7 2HD LYS 7 -14.573 -0.678 -0.631 48 2HD LYS 7 1HD LYS 7 -15.917 0.459 -0.525 49 1HE LYS 7 2HE LYS 7 -16.924 -1.052 -1.919 50 2HE LYS 7 1HE LYS 7 -16.048 -0.152 -3.157 51 1HZ LYS 7 1HZ LYS 7 -15.830 -2.728 -2.989 52 2HZ LYS 7 2HZ LYS 7 -14.692 -2.362 -1.781 53 3HZ LYS 7 3HZ LYS 7 -14.475 -1.777 -3.362 54 H LYS 8 H LYS 8 -13.387 5.035 -1.578 55 HA LYS 8 HA LYS 8 -13.928 4.802 -4.414 56 1HB LYS 8 2HB LYS 8 -15.108 6.371 -2.825 57 2HB LYS 8 1HB LYS 8 -13.635 7.342 -2.790 58 1HG LYS 8 2HG LYS 8 -14.275 8.358 -4.689 59 2HG LYS 8 1HG LYS 8 -14.231 6.801 -5.520 60 1HD LYS 8 2HD LYS 8 -16.495 6.486 -5.346 61 2HD LYS 8 1HD LYS 8 -16.595 7.316 -3.792 62 1HE LYS 8 2HE LYS 8 -16.992 9.330 -4.757 63 2HE LYS 8 1HE LYS 8 -15.795 9.061 -6.024 64 1HZ LYS 8 1HZ LYS 8 -17.322 8.205 -7.406 65 2HZ LYS 8 2HZ LYS 8 -18.428 9.058 -6.440 66 3HZ LYS 8 3HZ LYS 8 -18.164 7.400 -6.174 67 H ILE 9 H ILE 9 -11.128 5.644 -2.545 68 HA ILE 9 HA ILE 9 -9.810 7.167 -4.640 69 HB ILE 9 HB ILE 9 -8.715 5.786 -2.174 70 1HG1 ILE 9 2HG1 ILE 9 -10.348 7.671 -1.834 71 2HG1 ILE 9 1HG1 ILE 9 -8.736 8.018 -1.209 72 1HG2 ILE 9 1HG2 ILE 9 -7.451 7.508 -4.298 73 2HG2 ILE 9 2HG2 ILE 9 -6.840 6.021 -3.571 74 3HG2 ILE 9 3HG2 ILE 9 -6.826 7.525 -2.649 75 1HD1 ILE 9 1HD1 ILE 9 -9.632 9.938 -2.488 76 2HD1 ILE 9 2HD1 ILE 9 -9.795 8.905 -3.909 77 3HD1 ILE 9 3HD1 ILE 9 -8.196 9.267 -3.260 78 H PHE 10 H PHE 10 -8.982 3.957 -3.260 79 HA PHE 10 HA PHE 10 -7.237 3.193 -5.352 80 1HB PHE 10 2HB PHE 10 -7.682 2.017 -3.094 81 2HB PHE 10 1HB PHE 10 -9.027 1.229 -3.918 82 HD1 PHE 10 HD1 PHE 10 -5.341 1.695 -3.932 83 HD2 PHE 10 HD2 PHE 10 -8.664 -0.506 -5.539 84 HE1 PHE 10 HE1 PHE 10 -3.774 0.058 -4.942 85 HE2 PHE 10 HE2 PHE 10 -7.082 -2.139 -6.543 86 HZ PHE 10 HZ PHE 10 -4.662 -1.861 -6.249 87 H ILE 11 H ILE 11 -10.742 2.627 -4.997 88 HA ILE 11 HA ILE 11 -11.112 1.136 -7.385 89 HB ILE 11 HB ILE 11 -12.938 2.976 -5.830 90 1HG1 ILE 11 2HG1 ILE 11 -12.760 -0.031 -6.202 91 2HG1 ILE 11 1HG1 ILE 11 -12.343 0.870 -4.744 92 1HG2 ILE 11 1HG2 ILE 11 -14.785 1.987 -7.217 93 2HG2 ILE 11 2HG2 ILE 11 -13.559 1.301 -8.282 94 3HG2 ILE 11 3HG2 ILE 11 -13.717 3.051 -8.132 95 1HD1 ILE 11 1HD1 ILE 11 -14.621 -0.176 -4.643 96 2HD1 ILE 11 2HD1 ILE 11 -15.105 0.846 -5.997 97 3HD1 ILE 11 3HD1 ILE 11 -14.650 1.578 -4.457 98 H MET 12 H MET 12 -10.758 4.594 -6.848 99 HA MET 12 HA MET 12 -11.082 5.003 -9.795 100 1HB MET 12 2HB MET 12 -12.629 6.196 -8.010 101 2HB MET 12 1HB MET 12 -11.240 7.270 -7.840 102 1HG MET 12 2HG MET 12 -11.265 7.724 -10.248 103 2HG MET 12 1HG MET 12 -12.613 6.606 -10.461 104 1HE MET 12 1HE MET 12 -12.577 10.821 -8.734 105 2HE MET 12 2HE MET 12 -11.511 10.116 -9.947 106 3HE MET 12 3HE MET 12 -11.407 9.577 -8.273 107 H LYS 13 H LYS 13 -8.649 4.284 -8.058 108 HA LYS 13 HA LYS 13 -6.918 6.465 -9.131 109 1HB LYS 13 2HB LYS 13 -7.291 6.672 -6.626 110 2HB LYS 13 1HB LYS 13 -6.451 5.130 -6.456 111 1HG LYS 13 2HG LYS 13 -4.482 6.212 -6.543 112 2HG LYS 13 1HG LYS 13 -4.875 6.758 -8.174 113 1HD LYS 13 2HD LYS 13 -6.239 8.229 -6.000 114 2HD LYS 13 1HD LYS 13 -4.490 8.446 -6.067 115 1HE LYS 13 2HE LYS 13 -6.139 8.657 -8.576 116 2HE LYS 13 1HE LYS 13 -6.002 10.034 -7.484 117 1HZ LYS 13 1HZ LYS 13 -3.447 9.066 -7.761 118 2HZ LYS 13 2HZ LYS 13 -4.083 10.473 -8.472 119 3HZ LYS 13 3HZ LYS 13 -4.097 9.004 -9.326 120 H CYS 14 H CYS 14 -6.491 3.343 -7.403 121 HA CYS 14 HA CYS 14 -4.654 2.562 -9.632 122 1HB CYS 14 2HB CYS 14 -4.319 0.961 -7.224 123 2HB CYS 14 1HB CYS 14 -3.113 1.875 -8.122 124 H SER 15 H SER 15 -7.587 2.145 -9.507 125 HA SER 15 HA SER 15 -7.848 -0.760 -9.018 126 1HB SER 15 2HB SER 15 -9.653 1.057 -8.523 127 2HB SER 15 1HB SER 15 -9.980 0.974 -10.250 128 HG SER 15 HG SER 15 -10.346 -0.935 -8.241 129 H GLN 16 H GLN 16 -7.084 1.345 -11.591 130 HA GLN 16 HA GLN 16 -8.086 -0.410 -13.714 131 1HB GLN 16 2HB GLN 16 -6.026 1.733 -14.154 132 2HB GLN 16 1HB GLN 16 -7.351 1.233 -15.203 133 1HG GLN 16 2HG GLN 16 -8.395 3.086 -14.396 134 2HG GLN 16 1HG GLN 16 -8.720 2.072 -12.988 135 1HE2 GLN 16 1HE2 GLN 16 -8.358 4.974 -12.874 136 2HE2 GLN 16 2HE2 GLN 16 -6.973 5.268 -11.937 137 H CYS 17 H CYS 17 -4.935 0.442 -12.290 138 HA CYS 17 HA CYS 17 -3.639 -1.663 -13.903 139 1HB CYS 17 2HB CYS 17 -2.681 0.560 -12.127 140 2HB CYS 17 1HB CYS 17 -1.612 -0.813 -12.418 141 H HIS 18 H HIS 18 -4.604 -1.014 -10.551 142 HA HIS 18 HA HIS 18 -3.734 -3.800 -9.864 143 1HB HIS 18 2HB HIS 18 -4.243 -1.454 -8.017 144 2HB HIS 18 1HB HIS 18 -3.780 -3.074 -7.505 145 HD1 HIS 18 HD1 HIS 18 -1.334 -3.677 -7.624 146 HD2 HIS 18 HD2 HIS 18 -2.189 -0.054 -9.466 147 HE1 HIS 18 HE1 HIS 18 0.895 -2.580 -8.094 148 H THR 19 H THR 19 -5.847 -4.542 -10.813 149 HA THR 19 HA THR 19 -8.270 -3.637 -9.450 150 HB THR 19 HB THR 19 -9.448 -4.939 -10.988 151 HG1 THR 19 HG1 THR 19 -7.337 -6.637 -11.616 152 1HG2 THR 19 1HG2 THR 19 -6.881 -4.915 -12.541 153 2HG2 THR 19 2HG2 THR 19 -7.612 -3.388 -12.047 154 3HG2 THR 19 3HG2 THR 19 -8.509 -4.503 -13.076 155 H VAL 20 H VAL 20 -8.015 -4.131 -7.265 156 HA VAL 20 HA VAL 20 -7.208 -6.826 -6.441 157 HB VAL 20 HB VAL 20 -7.225 -5.971 -4.226 158 1HG1 VAL 20 1HG1 VAL 20 -6.464 -3.870 -6.254 159 2HG1 VAL 20 2HG1 VAL 20 -5.406 -4.963 -5.365 160 3HG1 VAL 20 3HG1 VAL 20 -6.196 -3.625 -4.530 161 1HG2 VAL 20 1HG2 VAL 20 -8.359 -3.846 -3.631 162 2HG2 VAL 20 2HG2 VAL 20 -9.504 -5.033 -4.259 163 3HG2 VAL 20 3HG2 VAL 20 -8.952 -3.710 -5.288 164 H GLU 21 H GLU 21 -10.082 -5.457 -7.493 165 HA GLU 21 HA GLU 21 -11.674 -7.417 -5.888 166 1HB GLU 21 2HB GLU 21 -12.136 -4.607 -6.578 167 2HB GLU 21 1HB GLU 21 -13.501 -5.644 -6.995 168 1HG GLU 21 2HG GLU 21 -12.990 -6.639 -4.563 169 2HG GLU 21 1HG GLU 21 -12.346 -5.015 -4.317 170 H LYS 22 H LYS 22 -10.199 -7.785 -8.492 171 HA LYS 22 HA LYS 22 -12.494 -8.246 -10.333 172 1HB LYS 22 2HB LYS 22 -10.438 -7.065 -11.181 173 2HB LYS 22 1HB LYS 22 -9.530 -8.550 -10.895 174 1HG LYS 22 2HG LYS 22 -10.528 -9.664 -12.643 175 2HG LYS 22 1HG LYS 22 -12.048 -8.788 -12.469 176 1HD LYS 22 2HD LYS 22 -10.129 -6.843 -13.164 177 2HD LYS 22 1HD LYS 22 -9.819 -8.220 -14.223 178 1HE LYS 22 2HE LYS 22 -11.454 -6.918 -15.363 179 2HE LYS 22 1HE LYS 22 -12.348 -8.261 -14.650 180 1HZ LYS 22 1HZ LYS 22 -12.035 -5.623 -13.334 181 2HZ LYS 22 2HZ LYS 22 -13.070 -6.891 -12.877 182 3HZ LYS 22 3HZ LYS 22 -13.362 -6.026 -14.310 183 H GLY 23 H GLY 23 -9.631 -9.978 -9.058 184 1HA GLY 23 2HA GLY 23 -10.416 -12.249 -8.036 185 2HA GLY 23 1HA GLY 23 -11.028 -12.540 -9.665 186 H GLY 24 H GLY 24 -7.978 -11.334 -8.207 187 1HA GLY 24 1HA GLY 24 -5.761 -11.996 -8.607 188 2HA GLY 24 2HA GLY 24 -6.409 -13.511 -9.237 189 H LYS 25 H LYS 25 -7.481 -10.485 -10.597 190 HA LYS 25 HA LYS 25 -6.166 -11.241 -13.151 191 1HB LYS 25 2HB LYS 25 -8.689 -10.578 -12.845 192 2HB LYS 25 1HB LYS 25 -8.062 -8.928 -12.846 193 1HG LYS 25 2HG LYS 25 -8.408 -9.227 -15.118 194 2HG LYS 25 1HG LYS 25 -6.742 -9.790 -14.982 195 1HD LYS 25 2HD LYS 25 -7.306 -11.971 -15.350 196 2HD LYS 25 1HD LYS 25 -8.828 -11.831 -14.468 197 1HE LYS 25 2HE LYS 25 -9.628 -10.381 -16.447 198 2HE LYS 25 1HE LYS 25 -8.237 -11.030 -17.315 199 1HZ LYS 25 1HZ LYS 25 -9.059 -13.279 -16.726 200 2HZ LYS 25 2HZ LYS 25 -10.102 -12.417 -17.754 201 3HZ LYS 25 3HZ LYS 25 -10.464 -12.566 -16.101 202 H HIS 26 H HIS 26 -4.206 -10.318 -13.512 203 HA HIS 26 HA HIS 26 -3.843 -7.479 -12.702 204 1HB HIS 26 2HB HIS 26 -1.409 -8.143 -12.288 205 2HB HIS 26 1HB HIS 26 -2.588 -8.642 -11.084 206 HD1 HIS 26 HD1 HIS 26 -2.591 -10.585 -14.255 207 HD2 HIS 26 HD2 HIS 26 -0.770 -10.853 -10.512 208 HE1 HIS 26 HE1 HIS 26 -1.667 -12.932 -14.075 209 H LYS 27 H LYS 27 -4.200 -6.816 -14.884 210 HA LYS 27 HA LYS 27 -2.544 -7.942 -17.010 211 1HB LYS 27 2HB LYS 27 -4.991 -6.789 -17.053 212 2HB LYS 27 1HB LYS 27 -3.992 -5.397 -17.474 213 1HG LYS 27 2HG LYS 27 -3.812 -6.182 -19.573 214 2HG LYS 27 1HG LYS 27 -2.993 -7.614 -18.946 215 1HD LYS 27 2HD LYS 27 -6.006 -7.346 -18.961 216 2HD LYS 27 1HD LYS 27 -5.109 -8.052 -20.307 217 1HE LYS 27 2HE LYS 27 -4.545 -9.937 -19.125 218 2HE LYS 27 1HE LYS 27 -4.457 -9.075 -17.589 219 1HZ LYS 27 1HZ LYS 27 -6.813 -10.157 -18.977 220 2HZ LYS 27 2HZ LYS 27 -6.994 -8.836 -17.924 221 3HZ LYS 27 3HZ LYS 27 -6.365 -10.306 -17.348 222 H THR 28 H THR 28 -2.997 -4.538 -15.979 223 HA THR 28 HA THR 28 -0.220 -3.977 -16.819 224 HB THR 28 HB THR 28 -2.382 -2.142 -15.745 225 HG1 THR 28 HG1 THR 28 -1.413 -2.061 -18.350 226 1HG2 THR 28 1HG2 THR 28 -0.158 -1.243 -15.296 227 2HG2 THR 28 2HG2 THR 28 -0.890 -0.346 -16.626 228 3HG2 THR 28 3HG2 THR 28 0.337 -1.569 -16.958 229 H GLY 29 H GLY 29 -2.164 -3.265 -13.887 230 1HA GLY 29 2HA GLY 29 0.334 -3.075 -12.331 231 2HA GLY 29 1HA GLY 29 -1.275 -2.679 -11.740 232 HA PRO 30 HA PRO 30 0.169 -7.185 -10.794 233 1HB PRO 30 2HB PRO 30 1.303 -6.786 -8.334 234 2HB PRO 30 1HB PRO 30 2.218 -6.842 -9.844 235 1HG PRO 30 2HG PRO 30 1.383 -4.440 -8.243 236 2HG PRO 30 1HG PRO 30 2.874 -4.709 -9.168 237 1HD PRO 30 2HD PRO 30 0.783 -3.185 -10.119 238 2HD PRO 30 1HD PRO 30 1.912 -4.061 -11.167 239 H ASN 31 H ASN 31 -1.320 -8.400 -9.812 240 HA ASN 31 HA ASN 31 -3.706 -7.373 -8.757 241 1HB ASN 31 2HB ASN 31 -3.653 -9.653 -9.478 242 2HB ASN 31 1HB ASN 31 -2.370 -10.053 -8.335 243 1HD2 ASN 31 1HD2 ASN 31 -5.659 -8.536 -8.150 244 2HD2 ASN 31 2HD2 ASN 31 -6.138 -9.418 -6.782 245 H LEU 32 H LEU 32 -3.531 -5.866 -7.109 246 HA LEU 32 HA LEU 32 -1.865 -6.371 -4.768 247 1HB LEU 32 2HB LEU 32 -3.398 -4.129 -5.872 248 2HB LEU 32 1HB LEU 32 -3.524 -4.255 -4.119 249 HG LEU 32 HG LEU 32 -1.218 -3.973 -3.800 250 1HD1 LEU 32 1HD1 LEU 32 0.146 -3.994 -6.171 251 2HD1 LEU 32 2HD1 LEU 32 -1.079 -5.228 -6.467 252 3HD1 LEU 32 3HD1 LEU 32 0.013 -5.384 -5.092 253 1HD2 LEU 32 1HD2 LEU 32 -0.632 -2.229 -5.807 254 2HD2 LEU 32 2HD2 LEU 32 -1.645 -1.815 -4.423 255 3HD2 LEU 32 3HD2 LEU 32 -2.389 -2.299 -5.947 256 H HIS 33 H HIS 33 -3.134 -8.498 -4.419 257 HA HIS 33 HA HIS 33 -5.797 -8.121 -3.203 258 1HB HIS 33 2HB HIS 33 -4.889 -10.143 -4.674 259 2HB HIS 33 1HB HIS 33 -4.329 -10.728 -3.108 260 HD1 HIS 33 HD1 HIS 33 -7.569 -9.238 -4.495 261 HD2 HIS 33 HD2 HIS 33 -6.284 -12.181 -1.837 262 HE1 HIS 33 HE1 HIS 33 -9.657 -10.370 -3.616 263 H GLY 34 H GLY 34 -2.549 -9.220 -2.206 264 1HA GLY 34 2HA GLY 34 -3.251 -8.409 0.574 265 2HA GLY 34 1HA GLY 34 -2.568 -10.012 0.296 266 H LEU 35 H LEU 35 -1.691 -7.007 -1.377 267 HA LEU 35 HA LEU 35 1.086 -7.438 -1.279 268 1HB LEU 35 2HB LEU 35 -0.058 -5.716 -2.686 269 2HB LEU 35 1HB LEU 35 -0.295 -4.742 -1.234 270 HG LEU 35 HG LEU 35 2.333 -5.182 -0.981 271 1HD1 LEU 35 1HD1 LEU 35 1.647 -5.852 -3.779 272 2HD1 LEU 35 2HD1 LEU 35 3.054 -6.317 -2.822 273 3HD1 LEU 35 3HD1 LEU 35 2.995 -4.731 -3.590 274 1HD2 LEU 35 1HD2 LEU 35 0.765 -3.109 -2.469 275 2HD2 LEU 35 2HD2 LEU 35 2.525 -3.040 -2.552 276 3HD2 LEU 35 3HD2 LEU 35 1.714 -2.948 -0.990 277 H PHE 36 H PHE 36 -1.068 -6.143 1.157 278 HA PHE 36 HA PHE 36 0.926 -4.913 2.818 279 1HB PHE 36 2HB PHE 36 -1.869 -5.928 3.259 280 2HB PHE 36 1HB PHE 36 -0.888 -5.435 4.640 281 HD1 PHE 36 HD1 PHE 36 -1.775 -3.361 5.324 282 HD2 PHE 36 HD2 PHE 36 -0.967 -4.065 1.164 283 HE1 PHE 36 HE1 PHE 36 -2.265 -0.982 4.826 284 HE2 PHE 36 HE2 PHE 36 -1.459 -1.687 0.666 285 HZ PHE 36 HZ PHE 36 -2.107 -0.144 2.497 286 H GLY 37 H GLY 37 2.268 -5.792 4.352 287 1HA GLY 37 2HA GLY 37 3.403 -7.433 5.582 288 2HA GLY 37 1HA GLY 37 1.875 -8.310 5.638 289 H ARG 38 H ARG 38 3.002 -7.530 2.486 290 HA ARG 38 HA ARG 38 4.228 -10.235 2.202 291 1HB ARG 38 2HB ARG 38 1.818 -10.213 1.434 292 2HB ARG 38 1HB ARG 38 2.288 -9.038 0.207 293 1HG ARG 38 2HG ARG 38 4.039 -10.693 -0.572 294 2HG ARG 38 1HG ARG 38 3.307 -11.874 0.514 295 1HD ARG 38 2HD ARG 38 1.571 -12.237 -0.889 296 2HD ARG 38 1HD ARG 38 1.332 -10.511 -1.163 297 HE ARG 38 HE ARG 38 2.878 -12.317 -2.858 298 1HH1 ARG 38 1HH2 ARG 38 2.821 -9.133 -1.569 299 2HH1 ARG 38 2HH2 ARG 38 3.331 -8.378 -3.041 300 1HH2 ARG 38 1HH1 ARG 38 3.356 -11.328 -4.859 301 2HH2 ARG 38 2HH1 ARG 38 3.632 -9.619 -4.901 302 H LYS 39 H LYS 39 6.056 -10.231 0.942 303 HA LYS 39 HA LYS 39 7.292 -7.744 0.241 304 1HB LYS 39 2HB LYS 39 7.891 -10.636 -0.211 305 2HB LYS 39 1HB LYS 39 8.752 -9.453 -1.197 306 1HG LYS 39 2HG LYS 39 10.168 -9.223 0.545 307 2HG LYS 39 1HG LYS 39 8.857 -8.374 1.366 308 1HD LYS 39 2HD LYS 39 8.973 -10.009 2.923 309 2HD LYS 39 1HD LYS 39 8.193 -11.040 1.724 310 1HE LYS 39 2HE LYS 39 11.158 -10.689 1.556 311 2HE LYS 39 1HE LYS 39 10.516 -11.733 2.825 312 1HZ LYS 39 1HZ LYS 39 10.003 -11.971 -0.090 313 2HZ LYS 39 2HZ LYS 39 9.259 -12.926 1.102 314 3HZ LYS 39 3HZ LYS 39 10.937 -13.021 0.859 315 H THR 40 H THR 40 8.289 -7.800 -2.228 316 HA THR 40 HA THR 40 6.236 -6.874 -3.919 317 HB THR 40 HB THR 40 7.850 -6.778 -5.625 318 HG1 THR 40 HG1 THR 40 8.962 -9.053 -4.361 319 1HG2 THR 40 1HG2 THR 40 9.750 -5.881 -4.587 320 2HG2 THR 40 2HG2 THR 40 9.712 -7.066 -3.282 321 3HG2 THR 40 3HG2 THR 40 8.528 -5.761 -3.320 322 H GLY 41 H GLY 41 6.254 -8.189 -6.333 323 1HA GLY 41 2HA GLY 41 5.413 -10.972 -5.668 324 2HA GLY 41 1HA GLY 41 4.348 -9.929 -6.607 325 H GLN 42 H GLN 42 4.983 -12.163 -7.854 326 HA GLN 42 HA GLN 42 6.553 -11.288 -10.142 327 1HB GLN 42 2HB GLN 42 7.967 -13.500 -9.934 328 2HB GLN 42 1HB GLN 42 8.484 -12.054 -9.070 329 1HG GLN 42 2HG GLN 42 6.582 -13.492 -7.454 330 2HG GLN 42 1HG GLN 42 7.861 -14.592 -7.969 331 1HE2 GLN 42 1HE2 GLN 42 7.109 -12.507 -5.499 332 2HE2 GLN 42 2HE2 GLN 42 8.674 -12.058 -5.020 333 H ALA 43 H ALA 43 3.937 -11.840 -10.176 334 HA ALA 43 HA ALA 43 2.933 -14.408 -10.364 335 1HB ALA 43 1HB ALA 43 2.204 -11.835 -11.403 336 2HB ALA 43 2HB ALA 43 1.166 -13.228 -11.100 337 3HB ALA 43 3HB ALA 43 1.957 -13.042 -12.665 338 HA PRO 44 HA PRO 44 4.843 -16.495 -13.699 339 1HB PRO 44 2HB PRO 44 2.711 -17.722 -14.934 340 2HB PRO 44 1HB PRO 44 3.375 -18.239 -13.374 341 1HG PRO 44 2HG PRO 44 0.860 -16.730 -13.938 342 2HG PRO 44 1HG PRO 44 1.239 -17.815 -12.590 343 1HD PRO 44 2HD PRO 44 1.241 -15.001 -12.468 344 2HD PRO 44 1HD PRO 44 1.990 -16.088 -11.278 345 H GLY 45 H GLY 45 1.751 -15.437 -15.177 346 1HA GLY 45 2HA GLY 45 3.156 -14.705 -17.642 347 2HA GLY 45 1HA GLY 45 1.421 -14.561 -17.357 348 H TYR 46 H TYR 46 3.096 -13.231 -14.770 349 HA TYR 46 HA TYR 46 3.091 -10.510 -15.998 350 1HB TYR 46 2HB TYR 46 1.044 -10.909 -14.613 351 2HB TYR 46 1HB TYR 46 2.081 -11.226 -13.231 352 HD1 TYR 46 HD1 TYR 46 4.031 -8.826 -14.606 353 HD2 TYR 46 HD2 TYR 46 0.070 -9.173 -13.018 354 HE1 TYR 46 HE1 TYR 46 4.040 -6.438 -14.076 355 HE2 TYR 46 HE2 TYR 46 0.094 -6.762 -12.504 356 HH TYR 46 HH TYR 46 1.199 -4.854 -12.702 357 H SER 47 H SER 47 5.281 -10.138 -16.034 358 HA SER 47 HA SER 47 7.033 -10.993 -13.863 359 1HB SER 47 2HB SER 47 7.942 -10.757 -16.131 360 2HB SER 47 1HB SER 47 7.467 -9.061 -16.168 361 HG SER 47 HG SER 47 9.540 -10.333 -14.793 362 H TYR 48 H TYR 48 5.869 -10.009 -12.082 363 HA TYR 48 HA TYR 48 4.994 -7.429 -11.712 364 1HB TYR 48 2HB TYR 48 6.223 -9.465 -9.973 365 2HB TYR 48 1HB TYR 48 6.178 -7.832 -9.322 366 HD1 TYR 48 HD1 TYR 48 3.696 -9.182 -11.712 367 HD2 TYR 48 HD2 TYR 48 4.572 -8.247 -7.633 368 HE1 TYR 48 HE1 TYR 48 1.310 -9.540 -11.125 369 HE2 TYR 48 HE2 TYR 48 2.188 -8.601 -7.027 370 HH TYR 48 HH TYR 48 0.056 -10.216 -8.866 371 H THR 49 H THR 49 6.217 -5.730 -10.232 372 HA THR 49 HA THR 49 8.360 -4.625 -11.745 373 HB THR 49 HB THR 49 8.381 -3.908 -8.893 374 HG1 THR 49 HG1 THR 49 6.321 -3.334 -8.726 375 1HG2 THR 49 1HG2 THR 49 7.448 -1.994 -10.924 376 2HG2 THR 49 2HG2 THR 49 9.011 -2.725 -11.289 377 3HG2 THR 49 3HG2 THR 49 8.777 -1.855 -9.773 378 H ALA 50 H ALA 50 9.855 -6.360 -12.033 379 HA ALA 50 HA ALA 50 11.053 -7.948 -10.058 380 1HB ALA 50 1HB ALA 50 12.459 -8.605 -11.731 381 2HB ALA 50 2HB ALA 50 12.897 -6.948 -12.144 382 3HB ALA 50 3HB ALA 50 11.395 -7.642 -12.755 383 H ALA 51 H ALA 51 11.842 -4.649 -11.080 384 HA ALA 51 HA ALA 51 14.246 -4.247 -9.715 385 1HB ALA 51 1HB ALA 51 13.222 -2.512 -11.111 386 2HB ALA 51 2HB ALA 51 13.547 -1.872 -9.502 387 3HB ALA 51 3HB ALA 51 11.906 -2.333 -9.953 388 H ASN 52 H ASN 52 11.109 -3.205 -8.300 389 HA ASN 52 HA ASN 52 11.904 -2.924 -5.663 390 1HB ASN 52 2HB ASN 52 9.432 -3.206 -7.018 391 2HB ASN 52 1HB ASN 52 9.403 -4.367 -5.691 392 1HD2 ASN 52 1HD2 ASN 52 11.172 -2.790 -3.932 393 2HD2 ASN 52 2HD2 ASN 52 10.262 -1.457 -3.405 394 H LYS 53 H LYS 53 10.677 -5.966 -7.088 395 HA LYS 53 HA LYS 53 10.878 -7.727 -5.001 396 1HB LYS 53 2HB LYS 53 10.216 -8.600 -7.107 397 2HB LYS 53 1HB LYS 53 11.707 -8.071 -7.884 398 1HG LYS 53 2HG LYS 53 11.701 -10.519 -7.456 399 2HG LYS 53 1HG LYS 53 12.996 -9.699 -6.582 400 1HD LYS 53 2HD LYS 53 11.534 -9.625 -4.561 401 2HD LYS 53 1HD LYS 53 10.320 -10.554 -5.441 402 1HE LYS 53 2HE LYS 53 11.387 -12.370 -4.593 403 2HE LYS 53 1HE LYS 53 12.582 -12.057 -5.852 404 1HZ LYS 53 1HZ LYS 53 13.621 -12.252 -3.682 405 2HZ LYS 53 2HZ LYS 53 12.662 -10.985 -3.083 406 3HZ LYS 53 3HZ LYS 53 13.814 -10.683 -4.295 407 H ASN 54 H ASN 54 13.662 -6.661 -6.980 408 HA ASN 54 HA ASN 54 15.541 -8.175 -5.392 409 1HB ASN 54 2HB ASN 54 16.163 -7.737 -7.659 410 2HB ASN 54 1HB ASN 54 15.874 -6.007 -7.471 411 1HD2 ASN 54 1HD2 ASN 54 17.596 -4.726 -6.672 412 2HD2 ASN 54 2HD2 ASN 54 19.085 -5.362 -6.164 413 H LYS 55 H LYS 55 14.390 -4.828 -5.368 414 HA LYS 55 HA LYS 55 16.342 -3.672 -3.705 415 1HB LYS 55 2HB LYS 55 14.629 -2.265 -4.630 416 2HB LYS 55 1HB LYS 55 13.354 -3.205 -3.853 417 1HG LYS 55 2HG LYS 55 13.687 -1.191 -2.554 418 2HG LYS 55 1HG LYS 55 14.325 -2.548 -1.626 419 1HD LYS 55 2HD LYS 55 16.577 -2.000 -2.171 420 2HD LYS 55 1HD LYS 55 16.076 -0.887 -3.444 421 1HE LYS 55 2HE LYS 55 14.782 0.098 -1.195 422 2HE LYS 55 1HE LYS 55 16.350 -0.415 -0.570 423 1HZ LYS 55 1HZ LYS 55 17.206 1.415 -1.443 424 2HZ LYS 55 2HZ LYS 55 15.725 1.829 -2.168 425 3HZ LYS 55 3HZ LYS 55 16.831 0.837 -2.992 426 H GLY 56 H GLY 56 14.075 -6.169 -2.972 427 1HA GLY 56 1HA GLY 56 13.705 -7.358 -0.979 428 2HA GLY 56 2HA GLY 56 15.192 -6.624 -0.372 429 H ILE 57 H ILE 57 12.002 -5.352 -1.348 430 HA ILE 57 HA ILE 57 12.001 -3.743 1.169 431 HB ILE 57 HB ILE 57 11.874 -2.647 -1.159 432 1HG1 ILE 57 2HG1 ILE 57 11.236 -1.616 1.088 433 2HG1 ILE 57 1HG1 ILE 57 10.478 -0.897 -0.331 434 1HG2 ILE 57 1HG2 ILE 57 9.533 -2.548 -2.069 435 2HG2 ILE 57 2HG2 ILE 57 9.095 -3.837 -0.948 436 3HG2 ILE 57 3HG2 ILE 57 10.285 -4.136 -2.214 437 1HD1 ILE 57 1HD1 ILE 57 8.785 -3.019 0.462 438 2HD1 ILE 57 2HD1 ILE 57 8.473 -1.291 0.604 439 3HD1 ILE 57 3HD1 ILE 57 9.225 -2.164 1.938 440 H ILE 58 H ILE 58 10.317 -3.961 2.622 441 HA ILE 58 HA ILE 58 8.368 -6.134 2.046 442 HB ILE 58 HB ILE 58 9.792 -6.111 4.176 443 1HG1 ILE 58 2HG1 ILE 58 7.720 -7.464 3.897 444 2HG1 ILE 58 1HG1 ILE 58 7.945 -6.926 5.561 445 1HG2 ILE 58 1HG2 ILE 58 7.812 -4.232 5.360 446 2HG2 ILE 58 2HG2 ILE 58 9.100 -3.524 4.383 447 3HG2 ILE 58 3HG2 ILE 58 9.499 -4.509 5.790 448 1HD1 ILE 58 1HD1 ILE 58 6.026 -5.852 3.493 449 2HD1 ILE 58 2HD1 ILE 58 6.462 -4.916 4.923 450 3HD1 ILE 58 3HD1 ILE 58 5.664 -6.478 5.101 451 H TRP 59 H TRP 59 6.661 -5.243 0.955 452 HA TRP 59 HA TRP 59 5.794 -2.603 0.967 453 1HB TRP 59 2HB TRP 59 4.249 -5.171 0.605 454 2HB TRP 59 1HB TRP 59 3.487 -3.591 0.422 455 HD1 TRP 59 HD1 TRP 59 4.607 -6.020 -1.772 456 HE1 TRP 59 HE1 TRP 59 5.722 -5.091 -3.901 457 HE3 TRP 59 HE3 TRP 59 5.591 -1.239 -0.253 458 HZ2 TRP 59 HZ2 TRP 59 6.882 -2.654 -4.838 459 HZ3 TRP 59 HZ3 TRP 59 6.702 0.359 -1.785 460 HH2 TRP 59 HH2 TRP 59 7.346 -0.341 -4.073 461 H GLY 60 H GLY 60 5.582 -1.486 2.852 462 1HA GLY 60 1HA GLY 60 3.612 -2.553 4.836 463 2HA GLY 60 2HA GLY 60 5.073 -1.701 5.343 464 H GLU 61 H GLU 61 3.429 -0.208 6.380 465 HA GLU 61 HA GLU 61 1.751 1.422 4.656 466 1HB GLU 61 2HB GLU 61 2.665 1.985 7.494 467 2HB GLU 61 1HB GLU 61 1.295 2.725 6.664 468 1HG GLU 61 2HG GLU 61 0.440 0.293 6.359 469 2HG GLU 61 1HG GLU 61 1.595 -0.115 7.627 470 H ASP 62 H ASP 62 4.693 2.176 6.567 471 HA ASP 62 HA ASP 62 5.045 4.723 5.252 472 1HB ASP 62 2HB ASP 62 5.904 3.969 7.580 473 2HB ASP 62 1HB ASP 62 7.237 3.238 6.684 474 H THR 63 H THR 63 6.477 1.497 4.846 475 HA THR 63 HA THR 63 8.506 2.217 3.000 476 HB THR 63 HB THR 63 7.685 -0.283 2.150 477 HG1 THR 63 HG1 THR 63 7.421 -1.079 4.531 478 1HG2 THR 63 1HG2 THR 63 9.610 0.796 4.152 479 2HG2 THR 63 2HG2 THR 63 9.916 -0.138 2.688 480 3HG2 THR 63 3HG2 THR 63 9.341 -0.946 4.146 481 H LEU 64 H LEU 64 5.066 1.502 2.506 482 HA LEU 64 HA LEU 64 5.275 1.682 -0.398 483 1HB LEU 64 2HB LEU 64 3.354 0.758 1.409 484 2HB LEU 64 1HB LEU 64 2.616 2.181 0.678 485 HG LEU 64 HG LEU 64 3.835 -0.155 -0.822 486 1HD1 LEU 64 1HD1 LEU 64 1.332 0.100 0.398 487 2HD1 LEU 64 2HD1 LEU 64 1.770 -1.062 -0.854 488 3HD1 LEU 64 3HD1 LEU 64 1.033 0.477 -1.299 489 1HD2 LEU 64 1HD2 LEU 64 2.800 2.539 -1.632 490 2HD2 LEU 64 2HD2 LEU 64 2.497 1.168 -2.701 491 3HD2 LEU 64 3HD2 LEU 64 4.152 1.617 -2.289 492 H MET 65 H MET 65 4.399 3.856 2.256 493 HA MET 65 HA MET 65 3.341 5.995 0.736 494 1HB MET 65 2HB MET 65 3.509 5.754 3.302 495 2HB MET 65 1HB MET 65 5.139 6.405 3.128 496 1HG MET 65 2HG MET 65 4.180 8.375 1.928 497 2HG MET 65 1HG MET 65 2.564 7.742 2.248 498 1HE MET 65 1HE MET 65 1.598 7.241 4.264 499 2HE MET 65 2HE MET 65 1.867 8.035 5.814 500 3HE MET 65 3HE MET 65 2.798 6.600 5.393 501 H GLU 66 H GLU 66 6.626 4.892 1.181 502 HA GLU 66 HA GLU 66 7.808 7.291 0.018 503 1HB GLU 66 2HB GLU 66 8.879 5.664 1.740 504 2HB GLU 66 1HB GLU 66 9.217 4.650 0.337 505 1HG GLU 66 2HG GLU 66 10.998 5.924 -0.164 506 2HG GLU 66 1HG GLU 66 9.949 7.333 -0.320 507 H TYR 67 H TYR 67 7.528 3.863 -0.981 508 HA TYR 67 HA TYR 67 8.557 4.211 -3.606 509 1HB TYR 67 2HB TYR 67 8.296 1.978 -2.791 510 2HB TYR 67 1HB TYR 67 6.582 2.227 -2.458 511 HD1 TYR 67 HD1 TYR 67 5.176 1.124 -3.941 512 HD2 TYR 67 HD2 TYR 67 8.863 2.774 -5.401 513 HE1 TYR 67 HE1 TYR 67 4.612 0.357 -6.229 514 HE2 TYR 67 HE2 TYR 67 8.300 2.006 -7.690 515 HH TYR 67 HH TYR 67 6.738 0.025 -8.630 516 H LEU 68 H LEU 68 5.582 5.231 -2.226 517 HA LEU 68 HA LEU 68 4.304 5.517 -4.887 518 1HB LEU 68 2HB LEU 68 3.270 4.943 -2.368 519 2HB LEU 68 1HB LEU 68 2.853 6.640 -2.611 520 HG LEU 68 HG LEU 68 2.146 5.809 -5.013 521 1HD1 LEU 68 1HD1 LEU 68 3.053 3.440 -4.176 522 2HD1 LEU 68 2HD1 LEU 68 1.669 3.561 -5.263 523 3HD1 LEU 68 3HD1 LEU 68 1.414 3.314 -3.535 524 1HD2 LEU 68 1HD2 LEU 68 0.576 6.798 -3.461 525 2HD2 LEU 68 2HD2 LEU 68 0.578 5.347 -2.458 526 3HD2 LEU 68 3HD2 LEU 68 -0.142 5.307 -4.067 527 H GLU 69 H GLU 69 5.615 7.432 -2.220 528 HA GLU 69 HA GLU 69 4.823 10.005 -3.131 529 1HB GLU 69 2HB GLU 69 6.122 9.161 -0.970 530 2HB GLU 69 1HB GLU 69 7.531 9.567 -1.940 531 1HG GLU 69 2HG GLU 69 6.800 11.846 -2.198 532 2HG GLU 69 1HG GLU 69 5.229 11.480 -1.486 533 H ASN 70 H ASN 70 7.140 7.712 -4.224 534 HA ASN 70 HA ASN 70 7.594 9.025 -6.722 535 1HB ASN 70 2HB ASN 70 8.969 10.416 -4.970 536 2HB ASN 70 1HB ASN 70 10.077 9.044 -5.020 537 1HD2 ASN 70 1HD2 ASN 70 11.205 11.316 -5.969 538 2HD2 ASN 70 2HD2 ASN 70 11.259 11.336 -7.666 539 HA PRO 71 HA PRO 71 8.582 4.580 -6.509 540 1HB PRO 71 2HB PRO 71 7.242 3.982 -8.843 541 2HB PRO 71 1HB PRO 71 6.482 4.008 -7.243 542 1HG PRO 71 2HG PRO 71 6.256 5.991 -9.456 543 2HG PRO 71 1HG PRO 71 5.116 5.630 -8.153 544 1HD PRO 71 2HD PRO 71 6.862 7.853 -8.239 545 2HD PRO 71 1HD PRO 71 5.974 7.280 -6.811 546 H LYS 72 H LYS 72 8.727 6.793 -9.297 547 HA LYS 72 HA LYS 72 10.664 5.254 -10.761 548 1HB LYS 72 2HB LYS 72 9.219 7.142 -11.683 549 2HB LYS 72 1HB LYS 72 10.318 8.260 -10.873 550 1HG LYS 72 2HG LYS 72 12.136 6.730 -12.138 551 2HG LYS 72 1HG LYS 72 10.786 6.534 -13.256 552 1HD LYS 72 2HD LYS 72 10.707 8.812 -13.772 553 2HD LYS 72 1HD LYS 72 11.504 9.281 -12.269 554 1HE LYS 72 2HE LYS 72 13.490 7.825 -13.320 555 2HE LYS 72 1HE LYS 72 12.697 8.299 -14.822 556 1HZ LYS 72 1HZ LYS 72 12.720 10.607 -13.468 557 2HZ LYS 72 2HZ LYS 72 13.913 10.146 -14.585 558 3HZ LYS 72 3HZ LYS 72 14.165 9.908 -12.922 559 H LYS 73 H LYS 73 10.832 7.112 -7.912 560 HA LYS 73 HA LYS 73 13.747 7.608 -8.211 561 1HB LYS 73 2HB LYS 73 12.651 9.530 -7.361 562 2HB LYS 73 1HB LYS 73 11.637 8.576 -6.280 563 1HG LYS 73 2HG LYS 73 13.436 9.723 -5.034 564 2HG LYS 73 1HG LYS 73 13.614 7.970 -4.943 565 1HD LYS 73 2HD LYS 73 15.793 8.712 -5.454 566 2HD LYS 73 1HD LYS 73 15.146 8.235 -7.024 567 1HE LYS 73 2HE LYS 73 16.084 10.354 -7.448 568 2HE LYS 73 1HE LYS 73 14.372 10.707 -7.213 569 1HZ LYS 73 1HZ LYS 73 16.362 10.821 -5.020 570 2HZ LYS 73 2HZ LYS 73 14.770 11.413 -5.013 571 3HZ LYS 73 3HZ LYS 73 15.956 12.168 -5.967 572 H TYR 74 H TYR 74 11.414 5.696 -6.395 573 HA TYR 74 HA TYR 74 13.464 4.627 -4.581 574 1HB TYR 74 2HB TYR 74 10.986 4.952 -4.003 575 2HB TYR 74 1HB TYR 74 10.667 3.552 -5.023 576 HD1 TYR 74 HD1 TYR 74 13.401 4.358 -2.576 577 HD2 TYR 74 HD2 TYR 74 10.228 1.689 -3.698 578 HE1 TYR 74 HE1 TYR 74 14.002 2.854 -0.698 579 HE2 TYR 74 HE2 TYR 74 10.828 0.185 -1.820 580 HH TYR 74 HH TYR 74 12.237 -0.198 -0.151 581 H ILE 75 H ILE 75 11.161 2.881 -6.683 582 HA ILE 75 HA ILE 75 13.129 0.778 -7.138 583 HB ILE 75 HB ILE 75 10.445 1.084 -8.477 584 1HG1 ILE 75 2HG1 ILE 75 10.069 1.499 -6.104 585 2HG1 ILE 75 1HG1 ILE 75 9.523 -0.134 -6.488 586 1HG2 ILE 75 1HG2 ILE 75 11.080 -1.518 -7.515 587 2HG2 ILE 75 2HG2 ILE 75 12.490 -0.888 -8.365 588 3HG2 ILE 75 3HG2 ILE 75 10.930 -0.977 -9.186 589 1HD1 ILE 75 1HD1 ILE 75 12.267 0.513 -5.380 590 2HD1 ILE 75 2HD1 ILE 75 11.565 -1.088 -5.603 591 3HD1 ILE 75 3HD1 ILE 75 10.902 0.003 -4.388 592 HA PRO 76 HA PRO 76 14.445 3.016 -10.815 593 1HB PRO 76 2HB PRO 76 16.655 1.441 -11.257 594 2HB PRO 76 1HB PRO 76 16.620 2.772 -10.087 595 1HG PRO 76 2HG PRO 76 16.541 -0.168 -9.589 596 2HG PRO 76 1HG PRO 76 17.137 1.132 -8.542 597 1HD PRO 76 2HD PRO 76 14.646 -0.185 -8.289 598 2HD PRO 76 1HD PRO 76 15.111 1.328 -7.482 599 H GLY 77 H GLY 77 12.530 2.122 -11.968 600 1HA GLY 77 2HA GLY 77 12.724 0.956 -14.321 601 2HA GLY 77 1HA GLY 77 13.011 -0.477 -13.335 602 H THR 78 H THR 78 11.003 1.201 -11.438 603 HA THR 78 HA THR 78 8.774 -0.428 -11.638 604 HB THR 78 HB THR 78 9.102 1.346 -9.900 605 HG1 THR 78 HG1 THR 78 6.635 2.006 -10.879 606 1HG2 THR 78 1HG2 THR 78 8.570 3.632 -10.371 607 2HG2 THR 78 2HG2 THR 78 7.965 3.228 -11.977 608 3HG2 THR 78 3HG2 THR 78 9.691 3.118 -11.633 609 H LYS 79 H LYS 79 6.874 -0.445 -12.872 610 HA LYS 79 HA LYS 79 7.001 1.177 -15.373 611 1HB LYS 79 2HB LYS 79 5.959 -1.533 -14.690 612 2HB LYS 79 1HB LYS 79 5.080 -0.619 -15.918 613 1HG LYS 79 2HG LYS 79 8.007 -0.529 -16.225 614 2HG LYS 79 1HG LYS 79 7.315 -2.142 -16.411 615 1HD LYS 79 2HD LYS 79 6.271 -1.602 -18.356 616 2HD LYS 79 1HD LYS 79 5.798 -0.008 -17.766 617 1HE LYS 79 2HE LYS 79 8.699 -0.452 -18.273 618 2HE LYS 79 1HE LYS 79 7.650 -0.324 -19.686 619 1HZ LYS 79 1HZ LYS 79 8.428 1.696 -17.777 620 2HZ LYS 79 2HZ LYS 79 6.768 1.687 -18.138 621 3HZ LYS 79 3HZ LYS 79 7.910 1.863 -19.384 622 H MET 80 H MET 80 5.847 1.789 -12.540 623 HA MET 80 HA MET 80 3.013 1.961 -12.738 624 1HB MET 80 2HB MET 80 4.954 3.786 -11.288 625 2HB MET 80 1HB MET 80 3.214 3.778 -11.052 626 1HG MET 80 2HG MET 80 4.186 1.095 -10.843 627 2HG MET 80 1HG MET 80 5.148 2.114 -9.786 628 1HE MET 80 1HE MET 80 1.816 4.140 -9.537 629 2HE MET 80 2HE MET 80 3.524 4.323 -9.144 630 3HE MET 80 3HE MET 80 2.359 4.014 -7.858 631 H ILE 81 H ILE 81 1.780 3.188 -14.081 632 HA ILE 81 HA ILE 81 3.073 5.402 -15.576 633 HB ILE 81 HB ILE 81 0.225 4.406 -15.850 634 1HG1 ILE 81 2HG1 ILE 81 2.789 3.387 -17.098 635 2HG1 ILE 81 1HG1 ILE 81 1.589 2.464 -16.195 636 1HG2 ILE 81 1HG2 ILE 81 0.337 5.432 -18.026 637 2HG2 ILE 81 2HG2 ILE 81 2.071 5.711 -17.865 638 3HG2 ILE 81 3HG2 ILE 81 0.936 6.618 -16.866 639 1HD1 ILE 81 1HD1 ILE 81 0.150 3.676 -18.278 640 2HD1 ILE 81 2HD1 ILE 81 0.607 1.976 -18.163 641 3HD1 ILE 81 3HD1 ILE 81 1.647 3.111 -19.023 642 H PHE 82 H PHE 82 2.264 5.338 -12.647 643 HA PHE 82 HA PHE 82 0.026 6.989 -12.143 644 1HB PHE 82 2HB PHE 82 1.898 5.683 -10.629 645 2HB PHE 82 1HB PHE 82 2.355 7.363 -10.370 646 HD1 PHE 82 HD1 PHE 82 -0.901 5.541 -10.803 647 HD2 PHE 82 HD2 PHE 82 1.455 8.225 -8.418 648 HE1 PHE 82 HE1 PHE 82 -2.807 5.823 -9.236 649 HE2 PHE 82 HE2 PHE 82 -0.449 8.506 -6.850 650 HZ PHE 82 HZ PHE 82 -2.580 7.305 -7.260 651 H VAL 83 H VAL 83 0.049 9.279 -11.470 652 HA VAL 83 HA VAL 83 1.709 10.889 -13.291 653 HB VAL 83 HB VAL 83 0.272 12.737 -12.623 654 1HG1 VAL 83 1HG1 VAL 83 -0.683 11.275 -14.293 655 2HG1 VAL 83 2HG1 VAL 83 -1.969 11.718 -13.169 656 3HG1 VAL 83 3HG1 VAL 83 -1.207 10.131 -13.057 657 1HG2 VAL 83 1HG2 VAL 83 -1.531 12.322 -10.922 658 2HG2 VAL 83 2HG2 VAL 83 0.096 12.298 -10.240 659 3HG2 VAL 83 3HG2 VAL 83 -0.754 10.784 -10.545 660 H GLY 84 H GLY 84 1.268 10.388 -9.804 661 1HA GLY 84 2HA GLY 84 3.438 10.541 -8.510 662 2HA GLY 84 1HA GLY 84 3.720 12.051 -9.376 663 H ILE 85 H ILE 85 2.195 10.597 -6.657 664 HA ILE 85 HA ILE 85 0.689 13.100 -6.058 665 HB ILE 85 HB ILE 85 0.609 10.336 -4.808 666 1HG1 ILE 85 2HG1 ILE 85 -0.502 10.656 -7.039 667 2HG1 ILE 85 1HG1 ILE 85 -1.633 10.246 -5.750 668 1HG2 ILE 85 1HG2 ILE 85 -1.444 11.427 -3.634 669 2HG2 ILE 85 2HG2 ILE 85 -0.650 12.956 -4.012 670 3HG2 ILE 85 3HG2 ILE 85 0.163 11.768 -2.994 671 1HD1 ILE 85 1HD1 ILE 85 -1.204 13.127 -5.963 672 2HD1 ILE 85 2HD1 ILE 85 -2.715 12.220 -5.941 673 3HD1 ILE 85 3HD1 ILE 85 -1.837 12.434 -7.455 674 H LYS 86 H LYS 86 1.228 14.334 -4.218 675 HA LYS 86 HA LYS 86 3.543 13.357 -2.606 676 1HB LYS 86 2HB LYS 86 3.772 15.321 -4.548 677 2HB LYS 86 1HB LYS 86 3.564 16.250 -3.063 678 1HG LYS 86 2HG LYS 86 5.400 15.027 -2.003 679 2HG LYS 86 1HG LYS 86 5.581 14.016 -3.438 680 1HD LYS 86 2HD LYS 86 6.992 15.548 -4.287 681 2HD LYS 86 1HD LYS 86 5.655 16.697 -4.343 682 1HE LYS 86 2HE LYS 86 6.127 17.387 -2.033 683 2HE LYS 86 1HE LYS 86 7.442 16.215 -1.939 684 1HZ LYS 86 1HZ LYS 86 8.799 17.542 -3.081 685 2HZ LYS 86 2HZ LYS 86 7.692 18.785 -2.740 686 3HZ LYS 86 3HZ LYS 86 7.613 17.955 -4.220 687 H LYS 87 H LYS 87 0.431 14.096 -2.405 688 HA LYS 87 HA LYS 87 0.663 15.852 -0.016 689 1HB LYS 87 2HB LYS 87 -2.053 15.050 -0.574 690 2HB LYS 87 1HB LYS 87 -1.350 16.664 -0.615 691 1HG LYS 87 2HG LYS 87 -0.476 16.158 -2.916 692 2HG LYS 87 1HG LYS 87 -1.363 14.634 -2.866 693 1HD LYS 87 2HD LYS 87 -3.210 16.611 -2.073 694 2HD LYS 87 1HD LYS 87 -2.352 17.289 -3.457 695 1HE LYS 87 2HE LYS 87 -2.739 14.842 -4.439 696 2HE LYS 87 1HE LYS 87 -4.094 14.867 -3.310 697 1HZ LYS 87 1HZ LYS 87 -4.694 17.066 -4.308 698 2HZ LYS 87 2HZ LYS 87 -4.880 15.731 -5.342 699 3HZ LYS 87 3HZ LYS 87 -3.543 16.765 -5.516 700 H LYS 88 H LYS 88 0.713 14.916 1.958 701 HA LYS 88 HA LYS 88 0.582 12.124 2.402 702 1HB LYS 88 2HB LYS 88 0.997 14.450 3.968 703 2HB LYS 88 1HB LYS 88 -0.295 13.541 4.751 704 1HG LYS 88 2HG LYS 88 1.181 11.477 4.508 705 2HG LYS 88 1HG LYS 88 2.486 12.574 4.053 706 1HD LYS 88 2HD LYS 88 2.892 12.945 6.234 707 2HD LYS 88 1HD LYS 88 1.289 13.664 6.380 708 1HE LYS 88 2HE LYS 88 0.464 11.853 7.454 709 2HE LYS 88 1HE LYS 88 1.206 10.739 6.305 710 1HZ LYS 88 1HZ LYS 88 2.120 11.560 8.887 711 2HZ LYS 88 2HZ LYS 88 3.312 11.772 7.694 712 3HZ LYS 88 3HZ LYS 88 2.611 10.243 7.936 713 H GLU 89 H GLU 89 -1.943 14.401 1.907 714 HA GLU 89 HA GLU 89 -4.047 13.134 3.366 715 1HB GLU 89 2HB GLU 89 -3.895 15.442 2.005 716 2HB GLU 89 1HB GLU 89 -4.669 14.453 0.766 717 1HG GLU 89 2HG GLU 89 -5.697 14.480 3.601 718 2HG GLU 89 1HG GLU 89 -6.207 15.700 2.435 719 H GLU 90 H GLU 90 -3.418 13.013 -0.161 720 HA GLU 90 HA GLU 90 -5.208 10.864 -0.676 721 1HB GLU 90 2HB GLU 90 -3.407 12.448 -2.168 722 2HB GLU 90 1HB GLU 90 -2.928 10.774 -2.448 723 1HG GLU 90 2HG GLU 90 -4.575 11.152 -4.092 724 2HG GLU 90 1HG GLU 90 -5.460 10.330 -2.805 725 H ARG 91 H ARG 91 -1.672 10.812 -0.138 726 HA ARG 91 HA ARG 91 -1.258 8.043 -0.383 727 1HB ARG 91 2HB ARG 91 0.064 10.196 1.236 728 2HB ARG 91 1HB ARG 91 0.534 8.515 1.491 729 1HG ARG 91 2HG ARG 91 1.718 8.483 -0.425 730 2HG ARG 91 1HG ARG 91 0.352 9.120 -1.342 731 1HD ARG 91 2HD ARG 91 2.404 10.603 -1.346 732 2HD ARG 91 1HD ARG 91 0.929 11.388 -0.779 733 HE ARG 91 HE ARG 91 1.967 10.565 1.572 734 1HH1 ARG 91 1HH1 ARG 91 2.927 12.645 -0.938 735 2HH1 ARG 91 2HH1 ARG 91 4.393 13.152 -0.169 736 1HH2 ARG 91 1HH2 ARG 91 4.085 10.928 2.476 737 2HH2 ARG 91 2HH2 ARG 91 5.052 12.177 1.764 738 H ALA 92 H ALA 92 -2.529 9.881 2.360 739 HA ALA 92 HA ALA 92 -2.497 7.692 4.217 740 1HB ALA 92 1HB ALA 92 -4.099 9.093 5.516 741 2HB ALA 92 2HB ALA 92 -4.199 10.197 4.145 742 3HB ALA 92 3HB ALA 92 -2.672 9.994 5.004 743 H ASP 93 H ASP 93 -5.118 9.064 2.201 744 HA ASP 93 HA ASP 93 -7.107 7.190 3.003 745 1HB ASP 93 2HB ASP 93 -6.771 9.195 0.880 746 2HB ASP 93 1HB ASP 93 -7.798 7.838 0.419 747 H LEU 94 H LEU 94 -4.445 6.920 0.771 748 HA LEU 94 HA LEU 94 -5.468 4.716 -0.775 749 1HB LEU 94 2HB LEU 94 -2.658 5.681 -0.192 750 2HB LEU 94 1HB LEU 94 -3.002 4.327 -1.269 751 HG LEU 94 HG LEU 94 -4.272 7.050 -1.614 752 1HD1 LEU 94 1HD1 LEU 94 -2.237 6.359 -3.568 753 2HD1 LEU 94 2HD1 LEU 94 -1.555 6.439 -1.945 754 3HD1 LEU 94 3HD1 LEU 94 -2.409 7.830 -2.613 755 1HD2 LEU 94 1HD2 LEU 94 -3.850 4.749 -3.547 756 2HD2 LEU 94 2HD2 LEU 94 -4.780 6.218 -3.844 757 3HD2 LEU 94 3HD2 LEU 94 -5.349 5.038 -2.663 758 H ILE 95 H ILE 95 -3.004 4.736 1.827 759 HA ILE 95 HA ILE 95 -2.970 1.900 2.161 760 HB ILE 95 HB ILE 95 -2.218 4.218 3.941 761 1HG1 ILE 95 2HG1 ILE 95 0.014 3.569 3.432 762 2HG1 ILE 95 1HG1 ILE 95 -0.497 1.986 2.849 763 1HG2 ILE 95 1HG2 ILE 95 -1.212 2.524 5.485 764 2HG2 ILE 95 2HG2 ILE 95 -2.038 1.256 4.578 765 3HG2 ILE 95 3HG2 ILE 95 -2.974 2.464 5.459 766 1HD1 ILE 95 1HD1 ILE 95 -1.146 4.638 1.528 767 2HD1 ILE 95 2HD1 ILE 95 -1.644 3.049 0.946 768 3HD1 ILE 95 3HD1 ILE 95 0.065 3.483 0.969 769 H ALA 96 H ALA 96 -5.030 4.412 3.506 770 HA ALA 96 HA ALA 96 -6.221 3.038 5.645 771 1HB ALA 96 1HB ALA 96 -8.303 4.431 4.996 772 2HB ALA 96 2HB ALA 96 -7.290 5.086 3.711 773 3HB ALA 96 3HB ALA 96 -6.823 5.303 5.397 774 H TYR 97 H TYR 97 -7.417 3.101 2.250 775 HA TYR 97 HA TYR 97 -9.479 1.179 2.746 776 1HB TYR 97 2HB TYR 97 -9.653 2.602 0.805 777 2HB TYR 97 1HB TYR 97 -8.105 2.026 0.184 778 HD1 TYR 97 HD1 TYR 97 -8.282 0.536 -1.587 779 HD2 TYR 97 HD2 TYR 97 -11.249 0.453 1.518 780 HE1 TYR 97 HE1 TYR 97 -9.432 -1.340 -2.733 781 HE2 TYR 97 HE2 TYR 97 -12.400 -1.421 0.369 782 HH TYR 97 HH TYR 97 -11.852 -3.203 -1.237 783 H LEU 98 H LEU 98 -6.183 0.859 1.423 784 HA LEU 98 HA LEU 98 -6.453 -2.017 1.111 785 1HB LEU 98 2HB LEU 98 -4.349 0.016 0.678 786 2HB LEU 98 1HB LEU 98 -3.753 -1.581 1.130 787 HG LEU 98 HG LEU 98 -3.908 -1.530 -1.275 788 1HD1 LEU 98 1HD1 LEU 98 -6.460 -2.933 -0.596 789 2HD1 LEU 98 2HD1 LEU 98 -4.976 -3.476 0.187 790 3HD1 LEU 98 3HD1 LEU 98 -5.100 -3.490 -1.571 791 1HD2 LEU 98 1HD2 LEU 98 -5.761 -0.736 -2.484 792 2HD2 LEU 98 2HD2 LEU 98 -5.670 0.395 -1.133 793 3HD2 LEU 98 3HD2 LEU 98 -6.852 -0.913 -1.110 794 H LYS 99 H LYS 99 -6.175 -0.101 3.812 795 HA LYS 99 HA LYS 99 -4.580 -2.093 5.302 796 1HB LYS 99 2HB LYS 99 -4.023 0.335 5.559 797 2HB LYS 99 1HB LYS 99 -5.620 0.582 6.263 798 1HG LYS 99 2HG LYS 99 -4.156 -1.655 7.472 799 2HG LYS 99 1HG LYS 99 -3.344 -0.101 7.676 800 1HD LYS 99 2HD LYS 99 -6.104 0.358 8.134 801 2HD LYS 99 1HD LYS 99 -5.676 -1.096 9.035 802 1HE LYS 99 2HE LYS 99 -3.606 0.929 9.276 803 2HE LYS 99 1HE LYS 99 -5.169 1.551 9.806 804 1HZ LYS 99 1HZ LYS 99 -5.313 0.042 11.481 805 2HZ LYS 99 2HZ LYS 99 -3.622 0.194 11.411 806 3HZ LYS 99 3HZ LYS 99 -4.391 -1.130 10.676 807 H LYS 100 H LYS 100 -7.785 -1.152 4.671 808 HA LYS 100 HA LYS 100 -8.763 -2.478 7.156 809 1HB LYS 100 2HB LYS 100 -9.685 -0.225 6.587 810 2HB LYS 100 1HB LYS 100 -10.324 -0.903 5.088 811 1HG LYS 100 2HG LYS 100 -11.338 -2.708 6.771 812 2HG LYS 100 1HG LYS 100 -11.204 -1.363 7.900 813 1HD LYS 100 2HD LYS 100 -12.507 0.067 6.383 814 2HD LYS 100 1HD LYS 100 -12.617 -1.256 5.221 815 1HE LYS 100 2HE LYS 100 -14.537 -1.820 6.281 816 2HE LYS 100 1HE LYS 100 -13.499 -2.426 7.572 817 1HZ LYS 100 1HZ LYS 100 -13.522 -0.005 8.371 818 2HZ LYS 100 2HZ LYS 100 -14.900 -0.958 8.651 819 3HZ LYS 100 3HZ LYS 100 -14.888 0.169 7.380 820 H ALA 101 H ALA 101 -8.741 -2.695 3.664 821 HA ALA 101 HA ALA 101 -10.695 -4.816 3.499 822 1HB ALA 101 1HB ALA 101 -10.594 -3.794 1.458 823 2HB ALA 101 2HB ALA 101 -9.363 -5.021 1.159 824 3HB ALA 101 3HB ALA 101 -8.885 -3.390 1.631 825 H THR 102 H THR 102 -7.146 -4.846 2.897 826 HA THR 102 HA THR 102 -7.197 -7.785 3.185 827 HB THR 102 HB THR 102 -5.870 -6.479 1.401 828 HG1 THR 102 HG1 THR 102 -4.438 -8.311 3.017 829 1HG2 THR 102 1HG2 THR 102 -3.985 -6.173 3.753 830 2HG2 THR 102 2HG2 THR 102 -4.881 -4.855 2.999 831 3HG2 THR 102 3HG2 THR 102 -3.649 -5.722 2.083 832 H ASN 103 H ASN 103 -5.494 -5.042 4.759 833 HA ASN 103 HA ASN 103 -4.262 -6.724 6.738 834 1HB ASN 103 2HB ASN 103 -3.585 -4.337 6.027 835 2HB ASN 103 1HB ASN 103 -4.846 -3.794 7.131 836 1HD2 ASN 103 1HD2 ASN 103 -2.382 -6.429 7.347 837 2HD2 ASN 103 2HD2 ASN 103 -1.777 -5.933 8.854 838 H GLU 104 HN GLU 104 -7.475 -5.923 6.322 839 HA GLU 104 HA GLU 104 -8.053 -6.677 9.132 840 1HB GLU 104 2HB GLU 104 -9.105 -4.193 7.758 841 2HB GLU 104 1HB GLU 104 -9.827 -4.872 9.216 842 1HG GLU 104 2HG GLU 104 -6.877 -4.278 9.113 843 2HG GLU 104 1HG GLU 104 -8.034 -2.997 9.475 844 HHA HEC 105 HHA HEC 105 4.300 -2.786 -8.789 845 HHB HEC 105 HHB HEC 105 1.097 0.630 -4.554 846 HHC HEC 105 HHC HEC 105 -2.064 3.484 -9.232 847 HHD HEC 105 HHD HEC 105 1.140 0.073 -13.476 848 1HMA HEC 105 1HMA HEC 105 3.353 -0.314 -3.616 849 2HMA HEC 105 2HMA HEC 105 3.712 -2.036 -3.736 850 3HMA HEC 105 3HMA HEC 105 2.044 -1.494 -3.555 851 1HAA HEC 105 1HAA HEC 105 4.745 -3.018 -5.076 852 2HAA HEC 105 2HAA HEC 105 5.489 -2.672 -6.624 853 1HBA HEC 105 1HBA HEC 105 4.141 -4.330 -7.724 854 2HBA HEC 105 2HBA HEC 105 3.143 -4.551 -6.288 855 1HMB HEC 105 1HMB HEC 105 -0.154 1.911 -3.698 856 2HMB HEC 105 2HMB HEC 105 -1.872 2.198 -3.966 857 3HMB HEC 105 3HMB HEC 105 -0.737 3.547 -4.001 858 HAB HEC 105 HAB HEC 105 -2.552 4.476 -7.495 859 1HBB HEC 105 1HBB HEC 105 -2.789 5.837 -5.634 860 2HBB HEC 105 2HBB HEC 105 -1.090 5.364 -5.675 861 3HBB HEC 105 3HBB HEC 105 -2.194 4.591 -4.539 862 1HMC HEC 105 1HMC HEC 105 -2.033 4.312 -12.634 863 2HMC HEC 105 2HMC HEC 105 -3.254 3.063 -12.389 864 3HMC HEC 105 3HMC HEC 105 -2.712 4.044 -11.028 865 HAC HEC 105 HAC HEC 105 0.003 1.517 -14.544 866 1HBC HEC 105 1HBC HEC 105 -0.737 3.923 -14.149 867 2HBC HEC 105 2HBC HEC 105 -2.364 3.304 -14.430 868 3HBC HEC 105 3HBC HEC 105 -1.130 3.135 -15.678 869 1HMD HEC 105 1HMD HEC 105 4.182 -1.932 -14.002 870 2HMD HEC 105 2HMD HEC 105 2.551 -2.589 -14.138 871 3HMD HEC 105 3HMD HEC 105 2.821 -0.854 -14.316 872 1HAD HEC 105 1HAD HEC 105 5.647 -2.728 -11.470 873 2HAD HEC 105 2HAD HEC 105 4.640 -3.871 -10.601 874 1HBD HEC 105 1HBD HEC 105 3.634 -3.867 -13.215 875 2HBD HEC 105 2HBD HEC 105 4.607 -5.121 -12.458 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 -10.291 6.710 10.012 2 2H GLY 1 2HT GLY 1 -8.604 6.894 10.088 3 3H GLY 1 3HT GLY 1 -9.305 5.360 10.291 4 1HA GLY 1 1HA GLY 1 -8.812 6.881 7.849 5 2HA GLY 1 2HA GLY 1 -8.699 5.143 8.134 6 H ASP 2 H ASP 2 -10.427 7.314 6.432 7 HA ASP 2 HA ASP 2 -13.130 6.322 6.946 8 1HB ASP 2 2HB ASP 2 -12.395 8.644 5.987 9 2HB ASP 2 1HB ASP 2 -12.307 7.788 4.448 10 H VAL 3 H VAL 3 -13.866 4.408 6.164 11 HA VAL 3 HA VAL 3 -12.322 2.974 4.118 12 HB VAL 3 HB VAL 3 -13.398 1.863 6.132 13 1HG1 VAL 3 1HG1 VAL 3 -15.580 3.278 5.584 14 2HG1 VAL 3 2HG1 VAL 3 -15.703 1.677 6.315 15 3HG1 VAL 3 3HG1 VAL 3 -15.960 1.876 4.582 16 1HG2 VAL 3 1HG2 VAL 3 -13.383 1.042 3.336 17 2HG2 VAL 3 2HG2 VAL 3 -14.648 0.216 4.245 18 3HG2 VAL 3 3HG2 VAL 3 -12.969 0.109 4.774 19 H GLU 4 H GLU 4 -15.320 4.786 4.353 20 HA GLU 4 HA GLU 4 -16.358 3.906 1.781 21 1HB GLU 4 2HB GLU 4 -17.753 4.873 3.664 22 2HB GLU 4 1HB GLU 4 -17.050 6.446 3.284 23 1HG GLU 4 2HG GLU 4 -18.296 4.821 1.087 24 2HG GLU 4 1HG GLU 4 -19.331 5.740 2.178 25 H LYS 5 H LYS 5 -14.662 6.820 2.944 26 HA LYS 5 HA LYS 5 -14.506 7.977 0.273 27 1HB LYS 5 2HB LYS 5 -14.517 9.367 2.337 28 2HB LYS 5 1HB LYS 5 -12.957 8.678 2.787 29 1HG LYS 5 2HG LYS 5 -12.503 10.780 1.712 30 2HG LYS 5 1HG LYS 5 -12.067 9.515 0.562 31 1HD LYS 5 2HD LYS 5 -13.457 10.477 -0.922 32 2HD LYS 5 1HD LYS 5 -14.802 10.014 0.123 33 1HE LYS 5 2HE LYS 5 -13.191 12.541 0.552 34 2HE LYS 5 1HE LYS 5 -14.655 12.497 -0.432 35 1HZ LYS 5 1HZ LYS 5 -14.352 12.325 2.444 36 2HZ LYS 5 2HZ LYS 5 -15.478 11.245 1.772 37 3HZ LYS 5 3HZ LYS 5 -15.645 12.916 1.521 38 H GLY 6 H GLY 6 -12.274 6.223 2.425 39 1HA GLY 6 1HA GLY 6 -9.938 6.447 0.831 40 2HA GLY 6 2HA GLY 6 -10.266 5.110 1.935 41 H LYS 7 H LYS 7 -12.537 4.000 0.752 42 HA LYS 7 HA LYS 7 -11.413 2.392 -1.316 43 1HB LYS 7 2HB LYS 7 -13.390 1.787 0.135 44 2HB LYS 7 1HB LYS 7 -14.362 2.894 -0.835 45 1HG LYS 7 2HG LYS 7 -14.231 1.560 -2.738 46 2HG LYS 7 1HG LYS 7 -12.728 0.794 -2.221 47 1HD LYS 7 2HD LYS 7 -14.234 -0.922 -1.807 48 2HD LYS 7 1HD LYS 7 -14.244 -0.104 -0.244 49 1HE LYS 7 2HE LYS 7 -16.136 1.306 -1.696 50 2HE LYS 7 1HE LYS 7 -16.388 -0.358 -2.224 51 1HZ LYS 7 1HZ LYS 7 -16.109 0.322 0.637 52 2HZ LYS 7 2HZ LYS 7 -16.797 -1.066 -0.063 53 3HZ LYS 7 3HZ LYS 7 -17.609 0.424 -0.149 54 H LYS 8 H LYS 8 -13.282 5.375 -1.403 55 HA LYS 8 HA LYS 8 -13.851 5.331 -4.225 56 1HB LYS 8 2HB LYS 8 -14.849 6.839 -2.344 57 2HB LYS 8 1HB LYS 8 -13.450 7.868 -2.651 58 1HG LYS 8 2HG LYS 8 -14.189 7.578 -5.175 59 2HG LYS 8 1HG LYS 8 -15.758 7.225 -4.450 60 1HD LYS 8 2HD LYS 8 -14.275 9.606 -3.431 61 2HD LYS 8 1HD LYS 8 -15.018 9.729 -5.026 62 1HE LYS 8 2HE LYS 8 -17.163 9.543 -4.193 63 2HE LYS 8 1HE LYS 8 -16.656 8.566 -2.816 64 1HZ LYS 8 1HZ LYS 8 -16.917 11.404 -3.029 65 2HZ LYS 8 2HZ LYS 8 -15.385 10.951 -2.453 66 3HZ LYS 8 3HZ LYS 8 -16.787 10.433 -1.644 67 H ILE 9 H ILE 9 -11.036 6.164 -2.345 68 HA ILE 9 HA ILE 9 -9.730 7.684 -4.460 69 HB ILE 9 HB ILE 9 -8.292 6.320 -2.192 70 1HG1 ILE 9 2HG1 ILE 9 -10.179 7.294 -1.084 71 2HG1 ILE 9 1HG1 ILE 9 -8.851 8.434 -0.877 72 1HG2 ILE 9 1HG2 ILE 9 -7.414 7.942 -4.195 73 2HG2 ILE 9 2HG2 ILE 9 -6.651 7.853 -2.608 74 3HG2 ILE 9 3HG2 ILE 9 -7.806 9.139 -2.961 75 1HD1 ILE 9 1HD1 ILE 9 -10.837 9.671 -1.537 76 2HD1 ILE 9 2HD1 ILE 9 -11.079 8.611 -2.925 77 3HD1 ILE 9 3HD1 ILE 9 -9.688 9.694 -2.873 78 H PHE 10 H PHE 10 -8.697 4.600 -2.952 79 HA PHE 10 HA PHE 10 -6.967 3.804 -5.023 80 1HB PHE 10 2HB PHE 10 -7.227 2.701 -2.758 81 2HB PHE 10 1HB PHE 10 -8.670 1.907 -3.385 82 HD1 PHE 10 HD1 PHE 10 -5.000 2.141 -3.619 83 HD2 PHE 10 HD2 PHE 10 -8.518 0.175 -5.106 84 HE1 PHE 10 HE1 PHE 10 -3.582 0.403 -4.679 85 HE2 PHE 10 HE2 PHE 10 -7.090 -1.562 -6.165 86 HZ PHE 10 HZ PHE 10 -4.639 -1.449 -5.957 87 H ILE 11 H ILE 11 -10.432 3.037 -4.637 88 HA ILE 11 HA ILE 11 -10.718 1.400 -6.919 89 HB ILE 11 HB ILE 11 -12.422 2.018 -5.054 90 1HG1 ILE 11 2HG1 ILE 11 -13.443 1.878 -7.902 91 2HG1 ILE 11 1HG1 ILE 11 -12.772 0.489 -7.046 92 1HG2 ILE 11 1HG2 ILE 11 -13.051 4.141 -7.125 93 2HG2 ILE 11 2HG2 ILE 11 -12.440 4.443 -5.498 94 3HG2 ILE 11 3HG2 ILE 11 -14.046 3.751 -5.722 95 1HD1 ILE 11 1HD1 ILE 11 -15.284 0.660 -6.911 96 2HD1 ILE 11 2HD1 ILE 11 -15.075 2.153 -5.995 97 3HD1 ILE 11 3HD1 ILE 11 -14.479 0.625 -5.343 98 H MET 12 H MET 12 -10.937 4.948 -6.657 99 HA MET 12 HA MET 12 -11.088 5.082 -9.632 100 1HB MET 12 2HB MET 12 -12.777 6.340 -8.248 101 2HB MET 12 1HB MET 12 -11.452 7.329 -7.633 102 1HG MET 12 2HG MET 12 -11.115 7.305 -10.423 103 2HG MET 12 1HG MET 12 -12.846 7.523 -10.167 104 1HE MET 12 1HE MET 12 -13.318 9.595 -10.893 105 2HE MET 12 2HE MET 12 -11.737 9.996 -11.558 106 3HE MET 12 3HE MET 12 -12.559 11.145 -10.505 107 H LYS 13 H LYS 13 -8.655 4.733 -7.654 108 HA LYS 13 HA LYS 13 -7.017 6.874 -8.950 109 1HB LYS 13 2HB LYS 13 -7.236 7.223 -6.505 110 2HB LYS 13 1HB LYS 13 -6.582 5.608 -6.228 111 1HG LYS 13 2HG LYS 13 -4.602 6.752 -6.098 112 2HG LYS 13 1HG LYS 13 -4.661 6.595 -7.854 113 1HD LYS 13 2HD LYS 13 -6.054 8.920 -6.578 114 2HD LYS 13 1HD LYS 13 -4.298 8.967 -6.728 115 1HE LYS 13 2HE LYS 13 -4.992 8.097 -9.216 116 2HE LYS 13 1HE LYS 13 -6.373 9.122 -8.830 117 1HZ LYS 13 1HZ LYS 13 -4.813 10.900 -8.254 118 2HZ LYS 13 2HZ LYS 13 -4.649 10.413 -9.874 119 3HZ LYS 13 3HZ LYS 13 -3.513 9.913 -8.714 120 H CYS 14 H CYS 14 -6.352 3.837 -7.163 121 HA CYS 14 HA CYS 14 -4.595 3.058 -9.455 122 1HB CYS 14 2HB CYS 14 -4.172 1.562 -6.971 123 2HB CYS 14 1HB CYS 14 -2.996 2.375 -7.992 124 H SER 15 H SER 15 -7.439 2.535 -9.405 125 HA SER 15 HA SER 15 -7.629 -0.337 -8.694 126 1HB SER 15 2HB SER 15 -9.460 1.499 -8.309 127 2HB SER 15 1HB SER 15 -9.829 1.234 -10.010 128 HG SER 15 HG SER 15 -9.725 -0.736 -7.963 129 H GLN 16 H GLN 16 -8.059 1.738 -11.565 130 HA GLN 16 HA GLN 16 -8.601 -0.256 -13.462 131 1HB GLN 16 2HB GLN 16 -6.825 2.155 -13.938 132 2HB GLN 16 1HB GLN 16 -7.793 1.292 -15.134 133 1HG GLN 16 2HG GLN 16 -9.496 2.065 -12.957 134 2HG GLN 16 1HG GLN 16 -8.594 3.479 -13.502 135 1HE2 GLN 16 1HE2 GLN 16 -11.300 3.539 -14.032 136 2HE2 GLN 16 2HE2 GLN 16 -11.600 3.247 -15.677 137 H CYS 17 H CYS 17 -5.510 0.675 -12.014 138 HA CYS 17 HA CYS 17 -4.144 -1.327 -13.727 139 1HB CYS 17 2HB CYS 17 -3.160 0.911 -11.955 140 2HB CYS 17 1HB CYS 17 -2.069 -0.356 -12.519 141 H HIS 18 H HIS 18 -4.898 -0.636 -10.314 142 HA HIS 18 HA HIS 18 -3.954 -3.415 -9.690 143 1HB HIS 18 2HB HIS 18 -4.267 -1.087 -7.771 144 2HB HIS 18 1HB HIS 18 -3.759 -2.709 -7.343 145 HD1 HIS 18 HD1 HIS 18 -1.344 -3.315 -7.700 146 HD2 HIS 18 HD2 HIS 18 -2.332 0.360 -9.366 147 HE1 HIS 18 HE1 HIS 18 0.846 -2.194 -8.289 148 H THR 19 H THR 19 -6.217 -3.958 -10.558 149 HA THR 19 HA THR 19 -8.463 -3.086 -8.912 150 HB THR 19 HB THR 19 -9.003 -5.494 -10.434 151 HG1 THR 19 HG1 THR 19 -7.885 -5.119 -12.148 152 1HG2 THR 19 1HG2 THR 19 -10.897 -4.325 -10.719 153 2HG2 THR 19 2HG2 THR 19 -10.025 -3.062 -11.589 154 3HG2 THR 19 3HG2 THR 19 -10.162 -2.990 -9.832 155 H VAL 20 H VAL 20 -8.120 -3.746 -6.797 156 HA VAL 20 HA VAL 20 -7.369 -6.531 -6.225 157 HB VAL 20 HB VAL 20 -7.148 -5.818 -3.965 158 1HG1 VAL 20 1HG1 VAL 20 -5.590 -4.081 -4.163 159 2HG1 VAL 20 2HG1 VAL 20 -6.530 -3.249 -5.401 160 3HG1 VAL 20 3HG1 VAL 20 -5.645 -4.721 -5.805 161 1HG2 VAL 20 1HG2 VAL 20 -8.042 -3.209 -3.748 162 2HG2 VAL 20 2HG2 VAL 20 -8.912 -4.628 -3.164 163 3HG2 VAL 20 3HG2 VAL 20 -9.283 -3.958 -4.753 164 H GLU 21 H GLU 21 -10.026 -5.803 -7.502 165 HA GLU 21 HA GLU 21 -11.698 -7.323 -5.569 166 1HB GLU 21 2HB GLU 21 -12.388 -4.679 -6.862 167 2HB GLU 21 1HB GLU 21 -13.631 -5.777 -6.265 168 1HG GLU 21 2HG GLU 21 -11.381 -5.208 -4.409 169 2HG GLU 21 1HG GLU 21 -12.499 -3.879 -4.714 170 H LYS 22 H LYS 22 -10.345 -7.377 -8.478 171 HA LYS 22 HA LYS 22 -12.696 -8.100 -10.090 172 1HB LYS 22 2HB LYS 22 -10.800 -6.959 -11.166 173 2HB LYS 22 1HB LYS 22 -9.730 -8.283 -10.712 174 1HG LYS 22 2HG LYS 22 -10.266 -9.101 -12.772 175 2HG LYS 22 1HG LYS 22 -11.734 -9.651 -11.962 176 1HD LYS 22 2HD LYS 22 -12.748 -7.383 -12.540 177 2HD LYS 22 1HD LYS 22 -11.356 -7.131 -13.592 178 1HE LYS 22 2HE LYS 22 -11.917 -9.285 -14.751 179 2HE LYS 22 1HE LYS 22 -13.386 -9.374 -13.779 180 1HZ LYS 22 1HZ LYS 22 -12.722 -7.014 -15.438 181 2HZ LYS 22 2HZ LYS 22 -14.220 -7.426 -14.749 182 3HZ LYS 22 3HZ LYS 22 -13.602 -8.330 -16.049 183 H GLY 23 H GLY 23 -9.715 -10.003 -10.061 184 1HA GLY 23 2HA GLY 23 -11.027 -12.250 -8.696 185 2HA GLY 23 1HA GLY 23 -10.727 -12.503 -10.416 186 H GLY 24 H GLY 24 -8.655 -10.700 -8.160 187 1HA GLY 24 1HA GLY 24 -6.457 -11.126 -7.449 188 2HA GLY 24 2HA GLY 24 -6.775 -12.838 -7.735 189 H LYS 25 H LYS 25 -7.421 -10.866 -10.444 190 HA LYS 25 HA LYS 25 -4.953 -11.886 -11.753 191 1HB LYS 25 2HB LYS 25 -7.307 -12.234 -12.732 192 2HB LYS 25 1HB LYS 25 -7.275 -10.512 -13.113 193 1HG LYS 25 2HG LYS 25 -5.573 -10.747 -14.678 194 2HG LYS 25 1HG LYS 25 -4.938 -12.206 -13.918 195 1HD LYS 25 2HD LYS 25 -6.103 -12.665 -16.086 196 2HD LYS 25 1HD LYS 25 -6.834 -13.507 -14.719 197 1HE LYS 25 2HE LYS 25 -8.583 -12.488 -16.102 198 2HE LYS 25 1HE LYS 25 -8.520 -11.692 -14.530 199 1HZ LYS 25 1HZ LYS 25 -8.334 -10.479 -16.978 200 2HZ LYS 25 2HZ LYS 25 -6.738 -10.485 -16.396 201 3HZ LYS 25 3HZ LYS 25 -7.979 -9.775 -15.476 202 H HIS 26 H HIS 26 -3.987 -10.290 -13.417 203 HA HIS 26 HA HIS 26 -4.238 -7.466 -12.542 204 1HB HIS 26 2HB HIS 26 -1.529 -7.654 -12.852 205 2HB HIS 26 1HB HIS 26 -2.346 -7.721 -11.294 206 HD1 HIS 26 HD1 HIS 26 -2.184 -10.444 -13.950 207 HD2 HIS 26 HD2 HIS 26 -0.932 -9.767 -10.028 208 HE1 HIS 26 HE1 HIS 26 -1.209 -12.630 -13.120 209 H LYS 27 H LYS 27 -4.594 -6.348 -14.391 210 HA LYS 27 HA LYS 27 -3.625 -7.427 -16.948 211 1HB LYS 27 2HB LYS 27 -5.991 -6.410 -16.491 212 2HB LYS 27 1HB LYS 27 -5.168 -4.860 -16.662 213 1HG LYS 27 2HG LYS 27 -4.387 -6.703 -18.770 214 2HG LYS 27 1HG LYS 27 -6.134 -6.462 -18.743 215 1HD LYS 27 2HD LYS 27 -5.889 -4.075 -18.920 216 2HD LYS 27 1HD LYS 27 -4.147 -4.178 -18.664 217 1HE LYS 27 2HE LYS 27 -4.192 -5.720 -20.781 218 2HE LYS 27 1HE LYS 27 -5.746 -4.946 -21.091 219 1HZ LYS 27 1HZ LYS 27 -3.464 -3.929 -21.921 220 2HZ LYS 27 2HZ LYS 27 -3.517 -3.207 -20.384 221 3HZ LYS 27 3HZ LYS 27 -4.784 -2.956 -21.488 222 H THR 28 H THR 28 -3.771 -4.062 -15.758 223 HA THR 28 HA THR 28 -1.134 -3.568 -17.023 224 HB THR 28 HB THR 28 -3.209 -1.728 -15.794 225 HG1 THR 28 HG1 THR 28 -3.789 -1.440 -17.792 226 1HG2 THR 28 1HG2 THR 28 -0.483 -1.110 -16.958 227 2HG2 THR 28 2HG2 THR 28 -1.032 -0.790 -15.314 228 3HG2 THR 28 3HG2 THR 28 -1.726 0.105 -16.665 229 H GLY 29 H GLY 29 -2.712 -2.776 -13.914 230 1HA GLY 29 2HA GLY 29 -0.058 -2.706 -12.612 231 2HA GLY 29 1HA GLY 29 -1.577 -2.193 -11.883 232 HA PRO 30 HA PRO 30 -0.391 -6.756 -10.956 233 1HB PRO 30 2HB PRO 30 0.844 -6.372 -8.518 234 2HB PRO 30 1HB PRO 30 1.704 -6.516 -10.062 235 1HG PRO 30 2HG PRO 30 1.069 -4.037 -8.488 236 2HG PRO 30 1HG PRO 30 2.501 -4.411 -9.466 237 1HD PRO 30 2HD PRO 30 0.457 -2.787 -10.366 238 2HD PRO 30 1HD PRO 30 1.502 -3.739 -11.437 239 H ASN 31 H ASN 31 -1.704 -7.975 -9.567 240 HA ASN 31 HA ASN 31 -4.055 -6.717 -8.540 241 1HB ASN 31 2HB ASN 31 -4.076 -9.040 -9.274 242 2HB ASN 31 1HB ASN 31 -2.914 -9.476 -8.019 243 1HD2 ASN 31 1HD2 ASN 31 -6.078 -7.709 -8.174 244 2HD2 ASN 31 2HD2 ASN 31 -6.725 -8.470 -6.800 245 H LEU 32 H LEU 32 -3.702 -5.218 -6.927 246 HA LEU 32 HA LEU 32 -1.932 -5.780 -4.678 247 1HB LEU 32 2HB LEU 32 -3.469 -3.488 -5.696 248 2HB LEU 32 1HB LEU 32 -3.414 -3.585 -3.941 249 HG LEU 32 HG LEU 32 -1.111 -3.288 -3.857 250 1HD1 LEU 32 1HD1 LEU 32 -1.181 -4.757 -6.432 251 2HD1 LEU 32 2HD1 LEU 32 -0.042 -4.887 -5.092 252 3HD1 LEU 32 3HD1 LEU 32 0.118 -3.576 -6.261 253 1HD2 LEU 32 1HD2 LEU 32 -2.391 -1.798 -6.076 254 2HD2 LEU 32 2HD2 LEU 32 -0.628 -1.758 -6.050 255 3HD2 LEU 32 3HD2 LEU 32 -1.543 -1.191 -4.653 256 H HIS 33 H HIS 33 -4.083 -7.708 -4.935 257 HA HIS 33 HA HIS 33 -5.997 -6.974 -2.804 258 1HB HIS 33 2HB HIS 33 -6.603 -8.285 -4.944 259 2HB HIS 33 1HB HIS 33 -5.802 -9.657 -4.176 260 HD1 HIS 33 HD1 HIS 33 -7.855 -11.045 -3.597 261 HD2 HIS 33 HD2 HIS 33 -8.117 -7.129 -2.193 262 HE1 HIS 33 HE1 HIS 33 -9.883 -10.961 -2.083 263 H GLY 34 H GLY 34 -3.217 -7.188 -2.097 264 1HA GLY 34 2HA GLY 34 -3.228 -8.484 0.330 265 2HA GLY 34 1HA GLY 34 -2.783 -9.765 -0.800 266 H LEU 35 H LEU 35 -1.927 -6.340 -1.097 267 HA LEU 35 HA LEU 35 0.866 -7.043 -1.451 268 1HB LEU 35 2HB LEU 35 -0.284 -5.182 -2.694 269 2HB LEU 35 1HB LEU 35 -0.349 -4.286 -1.176 270 HG LEU 35 HG LEU 35 2.264 -4.953 -1.174 271 1HD1 LEU 35 1HD1 LEU 35 1.302 -5.414 -3.893 272 2HD1 LEU 35 2HD1 LEU 35 2.857 -5.828 -3.171 273 3HD1 LEU 35 3HD1 LEU 35 2.596 -4.219 -3.839 274 1HD2 LEU 35 1HD2 LEU 35 1.009 -2.665 -1.141 275 2HD2 LEU 35 2HD2 LEU 35 1.359 -2.631 -2.869 276 3HD2 LEU 35 3HD2 LEU 35 2.680 -2.697 -1.703 277 H PHE 36 H PHE 36 -1.151 -5.949 1.161 278 HA PHE 36 HA PHE 36 1.002 -4.915 2.812 279 1HB PHE 36 2HB PHE 36 -1.839 -5.767 3.419 280 2HB PHE 36 1HB PHE 36 -0.747 -5.126 4.647 281 HD1 PHE 36 HD1 PHE 36 -2.037 -4.327 1.213 282 HD2 PHE 36 HD2 PHE 36 -0.644 -2.818 4.985 283 HE1 PHE 36 HE1 PHE 36 -2.556 -2.018 0.481 284 HE2 PHE 36 HE2 PHE 36 -1.165 -0.507 4.251 285 HZ PHE 36 HZ PHE 36 -2.122 -0.107 1.999 286 H GLY 37 H GLY 37 2.421 -6.096 4.001 287 1HA GLY 37 2HA GLY 37 3.264 -7.891 5.282 288 2HA GLY 37 1HA GLY 37 1.671 -8.647 5.197 289 H ARG 38 H ARG 38 2.891 -7.681 2.157 290 HA ARG 38 HA ARG 38 4.013 -10.400 1.655 291 1HB ARG 38 2HB ARG 38 1.699 -10.421 0.849 292 2HB ARG 38 1HB ARG 38 1.989 -8.945 -0.076 293 1HG ARG 38 2HG ARG 38 3.831 -10.197 -1.292 294 2HG ARG 38 1HG ARG 38 3.243 -11.666 -0.511 295 1HD ARG 38 2HD ARG 38 1.348 -11.750 -1.788 296 2HD ARG 38 1HD ARG 38 1.185 -9.994 -1.843 297 HE ARG 38 HE ARG 38 2.661 -11.645 -3.757 298 1HH1 ARG 38 1HH1 ARG 38 2.882 -8.663 -2.097 299 2HH1 ARG 38 2HH1 ARG 38 3.269 -7.738 -3.509 300 1HH2 ARG 38 1HH2 ARG 38 2.877 -10.406 -5.690 301 2HH2 ARG 38 2HH2 ARG 38 3.267 -8.725 -5.542 302 H LYS 39 H LYS 39 5.866 -10.352 0.432 303 HA LYS 39 HA LYS 39 7.046 -7.776 -0.205 304 1HB LYS 39 2HB LYS 39 7.867 -10.623 -0.318 305 2HB LYS 39 1HB LYS 39 8.655 -9.556 -1.481 306 1HG LYS 39 2HG LYS 39 8.761 -8.029 0.784 307 2HG LYS 39 1HG LYS 39 8.913 -9.651 1.461 308 1HD LYS 39 2HD LYS 39 10.545 -9.540 -0.875 309 2HD LYS 39 1HD LYS 39 10.902 -8.110 0.095 310 1HE LYS 39 2HE LYS 39 11.275 -9.519 2.071 311 2HE LYS 39 1HE LYS 39 10.869 -10.958 1.138 312 1HZ LYS 39 1HZ LYS 39 13.336 -10.213 1.434 313 2HZ LYS 39 2HZ LYS 39 12.972 -9.177 0.138 314 3HZ LYS 39 3HZ LYS 39 12.803 -10.859 -0.041 315 H THR 40 H THR 40 8.181 -7.814 -2.590 316 HA THR 40 HA THR 40 5.871 -7.814 -4.445 317 HB THR 40 HB THR 40 6.943 -6.154 -5.578 318 HG1 THR 40 HG1 THR 40 8.545 -7.056 -6.599 319 1HG2 THR 40 1HG2 THR 40 7.384 -5.863 -2.951 320 2HG2 THR 40 2HG2 THR 40 7.998 -4.710 -4.135 321 3HG2 THR 40 3HG2 THR 40 9.060 -5.961 -3.490 322 H GLY 41 H GLY 41 6.847 -8.343 -6.869 323 1HA GLY 41 2HA GLY 41 7.445 -10.095 -8.303 324 2HA GLY 41 1HA GLY 41 8.718 -10.458 -7.138 325 H GLN 42 H GLN 42 5.405 -11.179 -8.080 326 HA GLN 42 HA GLN 42 5.630 -13.760 -6.650 327 1HB GLN 42 2HB GLN 42 4.259 -11.665 -5.461 328 2HB GLN 42 1HB GLN 42 2.981 -12.564 -6.280 329 1HG GLN 42 2HG GLN 42 3.305 -13.460 -4.023 330 2HG GLN 42 1HG GLN 42 3.808 -14.656 -5.219 331 1HE2 GLN 42 1HE2 GLN 42 5.579 -11.747 -4.052 332 2HE2 GLN 42 2HE2 GLN 42 6.925 -12.611 -3.483 333 H ALA 43 H ALA 43 3.619 -11.678 -8.741 334 HA ALA 43 HA ALA 43 2.162 -13.918 -9.864 335 1HB ALA 43 1HB ALA 43 2.531 -11.092 -10.900 336 2HB ALA 43 2HB ALA 43 1.211 -11.650 -9.873 337 3HB ALA 43 3HB ALA 43 1.362 -12.255 -11.523 338 HA PRO 44 HA PRO 44 5.334 -15.152 -12.696 339 1HB PRO 44 2HB PRO 44 3.791 -16.911 -14.141 340 2HB PRO 44 1HB PRO 44 4.459 -17.277 -12.541 341 1HG PRO 44 2HG PRO 44 1.651 -16.605 -13.294 342 2HG PRO 44 1HG PRO 44 2.248 -17.566 -11.931 343 1HD PRO 44 2HD PRO 44 1.358 -14.886 -11.796 344 2HD PRO 44 1HD PRO 44 2.277 -15.742 -10.539 345 H GLY 45 H GLY 45 2.376 -15.389 -14.652 346 1HA GLY 45 2HA GLY 45 3.328 -14.405 -17.039 347 2HA GLY 45 1HA GLY 45 1.671 -14.101 -16.511 348 H TYR 46 H TYR 46 2.589 -12.547 -14.159 349 HA TYR 46 HA TYR 46 2.852 -9.956 -15.500 350 1HB TYR 46 2HB TYR 46 1.553 -10.560 -13.292 351 2HB TYR 46 1HB TYR 46 3.132 -10.364 -12.534 352 HD1 TYR 46 HD1 TYR 46 0.292 -8.672 -12.727 353 HD2 TYR 46 HD2 TYR 46 4.339 -8.137 -14.035 354 HE1 TYR 46 HE1 TYR 46 -0.039 -6.218 -12.746 355 HE2 TYR 46 HE2 TYR 46 4.014 -5.688 -14.055 356 HH TYR 46 HH TYR 46 2.244 -4.070 -14.175 357 H SER 47 H SER 47 4.799 -9.011 -15.939 358 HA SER 47 HA SER 47 7.254 -10.217 -14.831 359 1HB SER 47 2HB SER 47 6.570 -8.711 -17.188 360 2HB SER 47 1HB SER 47 7.838 -7.854 -16.314 361 HG SER 47 HG SER 47 8.927 -9.310 -17.501 362 H TYR 48 H TYR 48 5.987 -9.314 -12.716 363 HA TYR 48 HA TYR 48 5.803 -6.758 -11.820 364 1HB TYR 48 2HB TYR 48 6.874 -9.239 -10.530 365 2HB TYR 48 1HB TYR 48 7.048 -7.716 -9.663 366 HD1 TYR 48 HD1 TYR 48 4.291 -8.948 -11.899 367 HD2 TYR 48 HD2 TYR 48 5.456 -7.725 -7.961 368 HE1 TYR 48 HE1 TYR 48 1.929 -9.113 -11.139 369 HE2 TYR 48 HE2 TYR 48 3.107 -7.890 -7.203 370 HH TYR 48 HH TYR 48 0.720 -9.466 -8.969 371 H THR 49 H THR 49 7.298 -5.249 -10.750 372 HA THR 49 HA THR 49 9.649 -4.722 -12.270 373 HB THR 49 HB THR 49 9.747 -3.661 -9.545 374 HG1 THR 49 HG1 THR 49 7.657 -3.512 -9.379 375 1HG2 THR 49 1HG2 THR 49 10.966 -2.637 -11.361 376 2HG2 THR 49 2HG2 THR 49 9.698 -1.518 -10.862 377 3HG2 THR 49 3HG2 THR 49 9.496 -2.485 -12.323 378 H ALA 50 H ALA 50 10.901 -6.680 -12.268 379 HA ALA 50 HA ALA 50 11.740 -8.204 -10.095 380 1HB ALA 50 1HB ALA 50 13.554 -8.908 -11.418 381 2HB ALA 50 2HB ALA 50 13.739 -7.322 -12.167 382 3HB ALA 50 3HB ALA 50 12.389 -8.360 -12.622 383 H ALA 51 H ALA 51 12.849 -5.018 -11.117 384 HA ALA 51 HA ALA 51 15.119 -4.660 -9.530 385 1HB ALA 51 1HB ALA 51 14.864 -2.648 -10.525 386 2HB ALA 51 2HB ALA 51 13.693 -2.258 -9.266 387 3HB ALA 51 3HB ALA 51 13.145 -2.939 -10.797 388 H ASN 52 H ASN 52 11.795 -3.738 -8.524 389 HA ASN 52 HA ASN 52 12.397 -3.269 -5.809 390 1HB ASN 52 2HB ASN 52 10.123 -3.139 -7.325 391 2HB ASN 52 1HB ASN 52 9.783 -4.550 -6.325 392 1HD2 ASN 52 1HD2 ASN 52 11.592 -3.366 -4.138 393 2HD2 ASN 52 2HD2 ASN 52 10.629 -2.180 -3.403 394 H LYS 53 H LYS 53 11.177 -6.262 -7.333 395 HA LYS 53 HA LYS 53 10.947 -7.976 -5.203 396 1HB LYS 53 2HB LYS 53 10.685 -8.645 -7.587 397 2HB LYS 53 1HB LYS 53 12.441 -8.638 -7.759 398 1HG LYS 53 2HG LYS 53 12.682 -10.412 -6.144 399 2HG LYS 53 1HG LYS 53 10.973 -10.321 -5.713 400 1HD LYS 53 2HD LYS 53 11.032 -12.145 -7.189 401 2HD LYS 53 1HD LYS 53 10.555 -10.812 -8.241 402 1HE LYS 53 2HE LYS 53 13.476 -11.208 -7.924 403 2HE LYS 53 1HE LYS 53 12.623 -12.482 -8.795 404 1HZ LYS 53 1HZ LYS 53 13.214 -9.804 -9.609 405 2HZ LYS 53 2HZ LYS 53 11.566 -10.180 -9.790 406 3HZ LYS 53 3HZ LYS 53 12.747 -11.141 -10.545 407 H ASN 54 H ASN 54 13.918 -6.626 -6.470 408 HA ASN 54 HA ASN 54 15.540 -8.274 -4.660 409 1HB ASN 54 2HB ASN 54 16.209 -6.256 -6.803 410 2HB ASN 54 1HB ASN 54 17.439 -6.897 -5.714 411 1HD2 ASN 54 1HD2 ASN 54 17.759 -7.483 -8.404 412 2HD2 ASN 54 2HD2 ASN 54 17.386 -9.113 -8.702 413 H LYS 55 H LYS 55 14.587 -4.867 -5.103 414 HA LYS 55 HA LYS 55 16.210 -3.769 -3.059 415 1HB LYS 55 2HB LYS 55 14.612 -2.583 -4.740 416 2HB LYS 55 1HB LYS 55 13.372 -2.862 -3.518 417 1HG LYS 55 2HG LYS 55 14.298 -0.682 -3.087 418 2HG LYS 55 1HG LYS 55 14.922 -1.761 -1.838 419 1HD LYS 55 2HD LYS 55 16.875 -0.692 -2.519 420 2HD LYS 55 1HD LYS 55 16.892 -2.118 -3.555 421 1HE LYS 55 2HE LYS 55 15.308 -0.127 -4.844 422 2HE LYS 55 1HE LYS 55 16.821 0.628 -4.341 423 1HZ LYS 55 1HZ LYS 55 16.536 -0.821 -6.568 424 2HZ LYS 55 2HZ LYS 55 17.088 -2.013 -5.490 425 3HZ LYS 55 3HZ LYS 55 18.011 -0.612 -5.756 426 H GLY 56 H GLY 56 16.298 -5.195 -1.287 427 1HA GLY 56 1HA GLY 56 14.385 -6.639 0.016 428 2HA GLY 56 2HA GLY 56 15.616 -5.752 0.913 429 H ILE 57 H ILE 57 12.292 -5.725 -0.183 430 HA ILE 57 HA ILE 57 11.734 -3.633 1.850 431 HB ILE 57 HB ILE 57 12.009 -2.642 -0.528 432 1HG1 ILE 57 2HG1 ILE 57 10.857 -1.575 1.477 433 2HG1 ILE 57 1HG1 ILE 57 10.306 -1.012 -0.101 434 1HG2 ILE 57 1HG2 ILE 57 9.387 -4.134 -0.802 435 2HG2 ILE 57 2HG2 ILE 57 10.806 -4.247 -1.842 436 3HG2 ILE 57 3HG2 ILE 57 9.833 -2.777 -1.833 437 1HD1 ILE 57 1HD1 ILE 57 8.786 -2.308 1.985 438 2HD1 ILE 57 2HD1 ILE 57 8.713 -3.264 0.507 439 3HD1 ILE 57 3HD1 ILE 57 8.212 -1.576 0.488 440 H ILE 58 H ILE 58 9.678 -3.794 2.756 441 HA ILE 58 HA ILE 58 8.034 -6.120 1.842 442 HB ILE 58 HB ILE 58 8.894 -6.705 3.991 443 1HG1 ILE 58 2HG1 ILE 58 6.923 -6.853 5.333 444 2HG1 ILE 58 1HG1 ILE 58 6.259 -5.370 4.649 445 1HG2 ILE 58 1HG2 ILE 58 9.822 -4.981 5.127 446 2HG2 ILE 58 2HG2 ILE 58 8.212 -4.737 5.803 447 3HG2 ILE 58 3HG2 ILE 58 8.730 -3.803 4.398 448 1HD1 ILE 58 1HD1 ILE 58 5.388 -7.696 3.787 449 2HD1 ILE 58 2HD1 ILE 58 6.875 -7.684 2.838 450 3HD1 ILE 58 3HD1 ILE 58 5.687 -6.396 2.633 451 H TRP 59 H TRP 59 6.515 -5.020 0.617 452 HA TRP 59 HA TRP 59 5.560 -2.488 0.745 453 1HB TRP 59 2HB TRP 59 3.965 -5.013 0.305 454 2HB TRP 59 1HB TRP 59 3.303 -3.400 0.039 455 HD1 TRP 59 HD1 TRP 59 4.391 -5.904 -2.056 456 HE1 TRP 59 HE1 TRP 59 5.733 -5.087 -4.099 457 HE3 TRP 59 HE3 TRP 59 5.649 -1.195 -0.479 458 HZ2 TRP 59 HZ2 TRP 59 7.155 -2.756 -4.949 459 HZ3 TRP 59 HZ3 TRP 59 6.993 0.290 -1.928 460 HH2 TRP 59 HH2 TRP 59 7.746 -0.482 -4.161 461 H GLY 60 H GLY 60 5.489 -1.529 2.735 462 1HA GLY 60 1HA GLY 60 3.334 -2.496 4.574 463 2HA GLY 60 2HA GLY 60 4.839 -1.798 5.171 464 H GLU 61 H GLU 61 3.284 -0.257 6.247 465 HA GLU 61 HA GLU 61 1.717 1.580 4.683 466 1HB GLU 61 2HB GLU 61 2.298 1.131 7.459 467 2HB GLU 61 1HB GLU 61 2.527 2.844 7.099 468 1HG GLU 61 2HG GLU 61 0.105 1.507 5.971 469 2HG GLU 61 1HG GLU 61 0.117 1.853 7.702 470 H ASP 62 H ASP 62 4.414 2.667 6.730 471 HA ASP 62 HA ASP 62 5.010 4.909 5.096 472 1HB ASP 62 2HB ASP 62 7.236 4.879 6.343 473 2HB ASP 62 1HB ASP 62 5.794 4.927 7.358 474 H THR 63 H THR 63 6.042 1.573 4.886 475 HA THR 63 HA THR 63 8.354 1.923 3.267 476 HB THR 63 HB THR 63 7.160 -0.430 2.361 477 HG1 THR 63 HG1 THR 63 6.632 -1.185 4.663 478 1HG2 THR 63 1HG2 THR 63 8.901 -0.005 4.805 479 2HG2 THR 63 2HG2 THR 63 9.487 -0.108 3.144 480 3HG2 THR 63 3HG2 THR 63 8.734 -1.510 3.903 481 H LEU 64 H LEU 64 4.912 1.669 2.430 482 HA LEU 64 HA LEU 64 5.414 1.835 -0.435 483 1HB LEU 64 2HB LEU 64 3.189 1.302 1.264 484 2HB LEU 64 1HB LEU 64 2.759 2.681 0.252 485 HG LEU 64 HG LEU 64 3.939 0.103 -0.815 486 1HD1 LEU 64 1HD1 LEU 64 1.244 0.546 -1.647 487 2HD1 LEU 64 2HD1 LEU 64 1.291 0.668 0.111 488 3HD1 LEU 64 3HD1 LEU 64 1.879 -0.790 -0.687 489 1HD2 LEU 64 1HD2 LEU 64 4.359 1.619 -2.495 490 2HD2 LEU 64 2HD2 LEU 64 3.087 2.718 -1.963 491 3HD2 LEU 64 3HD2 LEU 64 2.675 1.274 -2.887 492 H MET 65 H MET 65 4.711 4.090 2.171 493 HA MET 65 HA MET 65 3.984 6.372 0.678 494 1HB MET 65 2HB MET 65 4.000 6.173 3.195 495 2HB MET 65 1HB MET 65 5.752 6.370 3.141 496 1HG MET 65 2HG MET 65 4.773 8.448 1.546 497 2HG MET 65 1HG MET 65 3.667 8.390 2.920 498 1HE MET 65 1HE MET 65 3.764 9.311 4.623 499 2HE MET 65 2HE MET 65 4.959 10.490 5.156 500 3HE MET 65 3HE MET 65 4.983 8.858 5.821 501 H GLU 66 H GLU 66 7.181 5.012 1.358 502 HA GLU 66 HA GLU 66 8.601 7.222 0.137 503 1HB GLU 66 2HB GLU 66 9.486 5.557 1.897 504 2HB GLU 66 1HB GLU 66 9.715 4.450 0.544 505 1HG GLU 66 2HG GLU 66 11.767 5.479 0.466 506 2HG GLU 66 1HG GLU 66 10.867 6.644 -0.507 507 H TYR 67 H TYR 67 8.147 3.803 -0.860 508 HA TYR 67 HA TYR 67 9.261 4.067 -3.442 509 1HB TYR 67 2HB TYR 67 8.816 1.861 -2.698 510 2HB TYR 67 1HB TYR 67 7.132 2.235 -2.332 511 HD1 TYR 67 HD1 TYR 67 9.336 2.749 -5.339 512 HD2 TYR 67 HD2 TYR 67 5.677 1.124 -3.778 513 HE1 TYR 67 HE1 TYR 67 8.674 2.040 -7.620 514 HE2 TYR 67 HE2 TYR 67 5.020 0.415 -6.060 515 HH TYR 67 HH TYR 67 5.521 0.498 -8.224 516 H LEU 68 H LEU 68 6.271 5.309 -2.228 517 HA LEU 68 HA LEU 68 5.159 5.604 -4.951 518 1HB LEU 68 2HB LEU 68 4.034 5.401 -2.359 519 2HB LEU 68 1HB LEU 68 3.639 7.012 -2.959 520 HG LEU 68 HG LEU 68 2.932 5.879 -5.135 521 1HD1 LEU 68 1HD1 LEU 68 3.328 3.671 -5.335 522 2HD1 LEU 68 2HD1 LEU 68 2.207 3.372 -4.007 523 3HD1 LEU 68 3HD1 LEU 68 3.924 3.604 -3.677 524 1HD2 LEU 68 1HD2 LEU 68 1.245 4.882 -2.860 525 2HD2 LEU 68 2HD2 LEU 68 0.746 5.675 -4.355 526 3HD2 LEU 68 3HD2 LEU 68 1.477 6.619 -3.058 527 H GLU 69 H GLU 69 6.536 7.606 -2.367 528 HA GLU 69 HA GLU 69 5.954 10.147 -3.502 529 1HB GLU 69 2HB GLU 69 7.124 9.433 -1.239 530 2HB GLU 69 1HB GLU 69 8.593 9.605 -2.189 531 1HG GLU 69 2HG GLU 69 8.167 11.897 -2.644 532 2HG GLU 69 1HG GLU 69 6.487 11.768 -2.121 533 H ASN 70 H ASN 70 8.163 7.631 -4.310 534 HA ASN 70 HA ASN 70 8.774 8.784 -6.885 535 1HB ASN 70 2HB ASN 70 10.343 9.867 -4.953 536 2HB ASN 70 1HB ASN 70 11.286 8.425 -5.334 537 1HD2 ASN 70 1HD2 ASN 70 11.748 11.386 -6.024 538 2HD2 ASN 70 2HD2 ASN 70 11.976 11.387 -7.706 539 HA PRO 71 HA PRO 71 9.094 4.247 -6.487 540 1HB PRO 71 2HB PRO 71 7.596 3.753 -8.748 541 2HB PRO 71 1HB PRO 71 6.906 3.948 -7.129 542 1HG PRO 71 2HG PRO 71 6.870 5.850 -9.419 543 2HG PRO 71 1HG PRO 71 5.751 5.715 -8.057 544 1HD PRO 71 2HD PRO 71 7.801 7.651 -8.325 545 2HD PRO 71 1HD PRO 71 6.890 7.292 -6.844 546 H LYS 72 H LYS 72 9.676 6.490 -9.113 547 HA LYS 72 HA LYS 72 11.206 4.640 -10.737 548 1HB LYS 72 2HB LYS 72 10.182 6.621 -11.760 549 2HB LYS 72 1HB LYS 72 11.116 7.675 -10.697 550 1HG LYS 72 2HG LYS 72 13.034 6.020 -11.884 551 2HG LYS 72 1HG LYS 72 11.916 6.403 -13.193 552 1HD LYS 72 2HD LYS 72 12.515 8.595 -13.228 553 2HD LYS 72 1HD LYS 72 12.595 8.698 -11.469 554 1HE LYS 72 2HE LYS 72 14.816 8.141 -11.401 555 2HE LYS 72 1HE LYS 72 14.689 7.046 -12.778 556 1HZ LYS 72 1HZ LYS 72 15.725 9.570 -12.816 557 2HZ LYS 72 2HZ LYS 72 14.184 9.761 -13.506 558 3HZ LYS 72 3HZ LYS 72 15.285 8.650 -14.171 559 H LYS 73 H LYS 73 11.752 6.512 -7.910 560 HA LYS 73 HA LYS 73 14.688 6.532 -8.215 561 1HB LYS 73 2HB LYS 73 13.876 8.480 -7.143 562 2HB LYS 73 1HB LYS 73 12.760 7.562 -6.133 563 1HG LYS 73 2HG LYS 73 14.750 8.357 -4.864 564 2HG LYS 73 1HG LYS 73 14.623 6.598 -4.884 565 1HD LYS 73 2HD LYS 73 16.308 6.405 -6.578 566 2HD LYS 73 1HD LYS 73 16.291 8.141 -6.883 567 1HE LYS 73 2HE LYS 73 17.133 8.541 -4.588 568 2HE LYS 73 1HE LYS 73 17.183 6.800 -4.313 569 1HZ LYS 73 1HZ LYS 73 18.961 6.536 -5.673 570 2HZ LYS 73 2HZ LYS 73 19.272 8.128 -5.165 571 3HZ LYS 73 3HZ LYS 73 18.550 7.840 -6.677 572 H TYR 74 H TYR 74 12.236 5.003 -6.115 573 HA TYR 74 HA TYR 74 14.169 3.429 -4.643 574 1HB TYR 74 2HB TYR 74 11.766 4.036 -3.943 575 2HB TYR 74 1HB TYR 74 11.246 2.748 -5.027 576 HD1 TYR 74 HD1 TYR 74 10.521 0.988 -3.649 577 HD2 TYR 74 HD2 TYR 74 14.243 2.953 -2.790 578 HE1 TYR 74 HE1 TYR 74 10.998 -0.688 -1.885 579 HE2 TYR 74 HE2 TYR 74 14.720 1.274 -1.025 580 HH TYR 74 HH TYR 74 12.616 -0.538 0.403 581 H ILE 75 H ILE 75 11.644 2.348 -6.924 582 HA ILE 75 HA ILE 75 13.261 -0.024 -7.584 583 HB ILE 75 HB ILE 75 10.546 0.556 -8.718 584 1HG1 ILE 75 2HG1 ILE 75 10.234 1.184 -6.413 585 2HG1 ILE 75 1HG1 ILE 75 9.599 -0.451 -6.589 586 1HG2 ILE 75 1HG2 ILE 75 11.980 -1.506 -9.178 587 2HG2 ILE 75 2HG2 ILE 75 10.327 -1.799 -8.634 588 3HG2 ILE 75 3HG2 ILE 75 11.670 -1.955 -7.502 589 1HD1 ILE 75 1HD1 ILE 75 12.010 -1.193 -5.915 590 2HD1 ILE 75 2HD1 ILE 75 10.918 -0.621 -4.654 591 3HD1 ILE 75 3HD1 ILE 75 12.161 0.450 -5.296 592 HA PRO 76 HA PRO 76 14.363 2.379 -11.258 593 1HB PRO 76 2HB PRO 76 16.576 0.859 -11.840 594 2HB PRO 76 1HB PRO 76 16.582 2.183 -10.662 595 1HG PRO 76 2HG PRO 76 16.619 -0.758 -10.179 596 2HG PRO 76 1HG PRO 76 17.220 0.555 -9.154 597 1HD PRO 76 2HD PRO 76 14.785 -0.851 -8.804 598 2HD PRO 76 1HD PRO 76 15.258 0.647 -7.981 599 H GLY 77 H GLY 77 12.364 1.375 -12.240 600 1HA GLY 77 2HA GLY 77 12.628 0.139 -14.638 601 2HA GLY 77 1HA GLY 77 12.718 -1.242 -13.545 602 H THR 78 H THR 78 10.843 0.420 -11.698 603 HA THR 78 HA THR 78 8.445 -0.889 -12.161 604 HB THR 78 HB THR 78 8.869 0.540 -10.179 605 HG1 THR 78 HG1 THR 78 6.649 1.791 -10.833 606 1HG2 THR 78 1HG2 THR 78 9.676 2.440 -11.910 607 2HG2 THR 78 2HG2 THR 78 9.105 2.817 -10.284 608 3HG2 THR 78 3HG2 THR 78 8.014 2.972 -11.661 609 H LYS 79 H LYS 79 6.846 -0.776 -13.649 610 HA LYS 79 HA LYS 79 7.105 1.240 -15.810 611 1HB LYS 79 2HB LYS 79 6.650 -1.410 -16.001 612 2HB LYS 79 1HB LYS 79 4.981 -0.854 -15.879 613 1HG LYS 79 2HG LYS 79 6.129 0.938 -17.669 614 2HG LYS 79 1HG LYS 79 6.859 -0.607 -18.106 615 1HD LYS 79 2HD LYS 79 4.809 -1.587 -18.628 616 2HD LYS 79 1HD LYS 79 3.903 -0.473 -17.604 617 1HE LYS 79 2HE LYS 79 3.402 0.371 -19.715 618 2HE LYS 79 1HE LYS 79 4.814 1.340 -19.294 619 1HZ LYS 79 1HZ LYS 79 5.303 -1.222 -20.594 620 2HZ LYS 79 2HZ LYS 79 6.118 0.258 -20.767 621 3HZ LYS 79 3HZ LYS 79 4.634 0.003 -21.554 622 H MET 80 H MET 80 6.050 1.703 -13.013 623 HA MET 80 HA MET 80 3.232 2.027 -13.008 624 1HB MET 80 2HB MET 80 5.489 3.436 -11.613 625 2HB MET 80 1HB MET 80 3.836 3.980 -11.399 626 1HG MET 80 2HG MET 80 4.142 1.083 -11.086 627 2HG MET 80 1HG MET 80 5.065 2.009 -9.907 628 1HE MET 80 1HE MET 80 3.941 2.932 -7.690 629 2HE MET 80 2HE MET 80 2.568 4.011 -7.920 630 3HE MET 80 3HE MET 80 4.021 4.227 -8.892 631 H ILE 81 H ILE 81 2.023 3.293 -14.364 632 HA ILE 81 HA ILE 81 3.327 5.590 -15.725 633 HB ILE 81 HB ILE 81 0.493 4.574 -16.099 634 1HG1 ILE 81 2HG1 ILE 81 2.731 3.868 -17.964 635 2HG1 ILE 81 1HG1 ILE 81 2.541 2.926 -16.485 636 1HG2 ILE 81 1HG2 ILE 81 1.574 6.883 -16.961 637 2HG2 ILE 81 2HG2 ILE 81 0.403 5.976 -17.918 638 3HG2 ILE 81 3HG2 ILE 81 2.128 5.821 -18.255 639 1HD1 ILE 81 1HD1 ILE 81 0.089 3.460 -18.103 640 2HD1 ILE 81 2HD1 ILE 81 0.515 2.042 -17.144 641 3HD1 ILE 81 3HD1 ILE 81 1.241 2.283 -18.734 642 H PHE 82 H PHE 82 2.612 5.456 -12.841 643 HA PHE 82 HA PHE 82 0.306 6.958 -12.203 644 1HB PHE 82 2HB PHE 82 2.270 5.725 -10.789 645 2HB PHE 82 1HB PHE 82 2.719 7.411 -10.552 646 HD1 PHE 82 HD1 PHE 82 2.089 7.851 -8.333 647 HD2 PHE 82 HD2 PHE 82 -0.695 5.967 -11.006 648 HE1 PHE 82 HE1 PHE 82 0.302 8.080 -6.633 649 HE2 PHE 82 HE2 PHE 82 -2.483 6.200 -9.306 650 HZ PHE 82 HZ PHE 82 -1.977 7.251 -7.121 651 H VAL 83 H VAL 83 0.249 9.198 -11.404 652 HA VAL 83 HA VAL 83 1.866 10.988 -13.147 653 HB VAL 83 HB VAL 83 -0.461 11.396 -13.424 654 1HG1 VAL 83 1HG1 VAL 83 -0.531 11.007 -10.442 655 2HG1 VAL 83 2HG1 VAL 83 -1.504 10.222 -11.686 656 3HG1 VAL 83 3HG1 VAL 83 -1.822 11.900 -11.244 657 1HG2 VAL 83 1HG2 VAL 83 0.209 13.396 -11.266 658 2HG2 VAL 83 2HG2 VAL 83 -0.675 13.654 -12.772 659 3HG2 VAL 83 3HG2 VAL 83 1.072 13.408 -12.805 660 H GLY 84 H GLY 84 1.068 10.302 -9.780 661 1HA GLY 84 2HA GLY 84 2.851 10.732 -8.103 662 2HA GLY 84 1HA GLY 84 3.216 12.220 -8.976 663 H ILE 85 H ILE 85 1.054 10.700 -6.689 664 HA ILE 85 HA ILE 85 -0.961 12.719 -6.564 665 HB ILE 85 HB ILE 85 0.093 10.856 -4.415 666 1HG1 ILE 85 2HG1 ILE 85 -2.549 10.603 -5.814 667 2HG1 ILE 85 1HG1 ILE 85 -1.091 10.075 -6.655 668 1HG2 ILE 85 1HG2 ILE 85 -1.925 13.007 -4.373 669 2HG2 ILE 85 2HG2 ILE 85 -1.092 12.219 -3.033 670 3HG2 ILE 85 3HG2 ILE 85 -2.506 11.458 -3.763 671 1HD1 ILE 85 1HD1 ILE 85 -2.435 8.901 -4.291 672 2HD1 ILE 85 2HD1 ILE 85 -0.673 8.956 -4.213 673 3HD1 ILE 85 3HD1 ILE 85 -1.471 8.118 -5.544 674 H LYS 86 H LYS 86 -0.816 14.791 -5.846 675 HA LYS 86 HA LYS 86 1.645 15.589 -4.383 676 1HB LYS 86 2HB LYS 86 0.668 16.794 -6.500 677 2HB LYS 86 1HB LYS 86 -0.452 17.517 -5.346 678 1HG LYS 86 2HG LYS 86 1.197 18.726 -4.287 679 2HG LYS 86 1HG LYS 86 2.443 17.523 -4.625 680 1HD LYS 86 2HD LYS 86 2.837 18.332 -6.768 681 2HD LYS 86 1HD LYS 86 1.223 19.028 -6.915 682 1HE LYS 86 2HE LYS 86 3.172 20.094 -4.881 683 2HE LYS 86 1HE LYS 86 3.230 20.643 -6.555 684 1HZ LYS 86 1HZ LYS 86 0.562 20.663 -5.711 685 2HZ LYS 86 2HZ LYS 86 1.540 21.984 -6.140 686 3HZ LYS 86 3HZ LYS 86 1.483 21.455 -4.527 687 H LYS 87 H LYS 87 -0.732 14.154 -3.190 688 HA LYS 87 HA LYS 87 -1.208 16.111 -0.991 689 1HB LYS 87 2HB LYS 87 -3.185 14.906 -2.773 690 2HB LYS 87 1HB LYS 87 -3.518 14.557 -1.077 691 1HG LYS 87 2HG LYS 87 -4.104 16.698 -0.648 692 2HG LYS 87 1HG LYS 87 -2.702 17.333 -1.512 693 1HD LYS 87 2HD LYS 87 -4.137 16.447 -3.614 694 2HD LYS 87 1HD LYS 87 -5.458 16.805 -2.502 695 1HE LYS 87 2HE LYS 87 -4.477 19.080 -2.150 696 2HE LYS 87 1HE LYS 87 -3.274 18.712 -3.385 697 1HZ LYS 87 1HZ LYS 87 -5.006 18.423 -4.994 698 2HZ LYS 87 2HZ LYS 87 -5.207 19.936 -4.247 699 3HZ LYS 87 3HZ LYS 87 -6.208 18.632 -3.817 700 H LYS 88 H LYS 88 -0.070 15.143 0.647 701 HA LYS 88 HA LYS 88 0.410 12.343 0.888 702 1HB LYS 88 2HB LYS 88 1.783 13.962 2.085 703 2HB LYS 88 1HB LYS 88 0.383 14.516 3.003 704 1HG LYS 88 2HG LYS 88 0.483 12.764 4.439 705 2HG LYS 88 1HG LYS 88 0.816 11.610 3.147 706 1HD LYS 88 2HD LYS 88 2.905 11.533 4.036 707 2HD LYS 88 1HD LYS 88 3.140 13.067 3.195 708 1HE LYS 88 2HE LYS 88 3.797 13.352 5.518 709 2HE LYS 88 1HE LYS 88 2.306 14.251 5.240 710 1HZ LYS 88 1HZ LYS 88 1.071 12.762 6.426 711 2HZ LYS 88 2HZ LYS 88 2.539 12.668 7.278 712 3HZ LYS 88 3HZ LYS 88 2.131 11.468 6.146 713 H GLU 89 H GLU 89 -2.308 14.323 1.811 714 HA GLU 89 HA GLU 89 -3.457 12.497 3.709 715 1HB GLU 89 2HB GLU 89 -4.325 14.930 2.250 716 2HB GLU 89 1HB GLU 89 -5.612 13.849 2.786 717 1HG GLU 89 2HG GLU 89 -5.081 14.112 5.041 718 2HG GLU 89 1HG GLU 89 -3.414 14.577 4.697 719 H GLU 90 H GLU 90 -3.832 12.938 0.203 720 HA GLU 90 HA GLU 90 -5.976 11.073 -0.131 721 1HB GLU 90 2HB GLU 90 -4.836 12.791 -1.811 722 2HB GLU 90 1HB GLU 90 -3.895 11.368 -2.262 723 1HG GLU 90 2HG GLU 90 -5.800 10.174 -2.960 724 2HG GLU 90 1HG GLU 90 -6.896 11.217 -2.055 725 H ARG 91 H ARG 91 -2.440 10.631 -0.537 726 HA ARG 91 HA ARG 91 -2.491 7.872 -1.147 727 1HB ARG 91 2HB ARG 91 -0.501 9.683 -0.843 728 2HB ARG 91 1HB ARG 91 -0.324 8.791 0.670 729 1HG ARG 91 2HG ARG 91 -0.390 6.658 -0.729 730 2HG ARG 91 1HG ARG 91 -0.214 7.693 -2.147 731 1HD ARG 91 2HD ARG 91 1.946 6.725 -1.113 732 2HD ARG 91 1HD ARG 91 1.923 8.451 -1.469 733 HE ARG 91 HE ARG 91 2.168 8.827 0.837 734 1HH1 ARG 91 1HH1 ARG 91 1.744 5.515 0.304 735 2HH1 ARG 91 2HH1 ARG 91 1.248 5.149 1.923 736 1HH2 ARG 91 1HH2 ARG 91 1.090 8.473 2.907 737 2HH2 ARG 91 2HH2 ARG 91 0.877 6.825 3.398 738 H ALA 92 H ALA 92 -2.392 9.482 2.030 739 HA ALA 92 HA ALA 92 -2.224 7.196 3.666 740 1HB ALA 92 1HB ALA 92 -4.104 9.313 4.558 741 2HB ALA 92 2HB ALA 92 -2.473 9.851 4.154 742 3HB ALA 92 3HB ALA 92 -2.714 8.618 5.392 743 H ASP 93 H ASP 93 -5.051 8.668 2.111 744 HA ASP 93 HA ASP 93 -7.017 6.988 3.324 745 1HB ASP 93 2HB ASP 93 -7.179 8.156 0.539 746 2HB ASP 93 1HB ASP 93 -8.511 7.794 1.637 747 H LEU 94 H LEU 94 -4.996 6.617 0.441 748 HA LEU 94 HA LEU 94 -6.283 4.303 -0.621 749 1HB LEU 94 2HB LEU 94 -3.406 5.240 -0.775 750 2HB LEU 94 1HB LEU 94 -4.030 3.867 -1.687 751 HG LEU 94 HG LEU 94 -5.085 6.707 -1.837 752 1HD1 LEU 94 1HD1 LEU 94 -3.372 5.029 -3.687 753 2HD1 LEU 94 2HD1 LEU 94 -2.973 6.593 -2.973 754 3HD1 LEU 94 3HD1 LEU 94 -4.216 6.483 -4.220 755 1HD2 LEU 94 1HD2 LEU 94 -6.876 5.108 -2.202 756 2HD2 LEU 94 2HD2 LEU 94 -5.858 4.151 -3.278 757 3HD2 LEU 94 3HD2 LEU 94 -6.393 5.758 -3.769 758 H ILE 95 H ILE 95 -3.992 4.723 2.006 759 HA ILE 95 HA ILE 95 -3.398 1.869 2.236 760 HB ILE 95 HB ILE 95 -3.010 3.848 4.468 761 1HG1 ILE 95 2HG1 ILE 95 -2.246 5.103 2.565 762 2HG1 ILE 95 1HG1 ILE 95 -0.809 4.419 3.327 763 1HG2 ILE 95 1HG2 ILE 95 -0.880 2.002 3.581 764 2HG2 ILE 95 2HG2 ILE 95 -2.347 1.215 4.160 765 3HG2 ILE 95 3HG2 ILE 95 -1.475 2.335 5.206 766 1HD1 ILE 95 1HD1 ILE 95 -0.996 2.479 1.716 767 2HD1 ILE 95 2HD1 ILE 95 -0.604 4.026 0.963 768 3HD1 ILE 95 3HD1 ILE 95 -2.247 3.391 0.871 769 H ALA 96 H ALA 96 -5.359 4.220 4.048 770 HA ALA 96 HA ALA 96 -6.355 2.540 6.059 771 1HB ALA 96 1HB ALA 96 -7.491 4.413 6.552 772 2HB ALA 96 2HB ALA 96 -8.498 4.200 5.120 773 3HB ALA 96 3HB ALA 96 -6.988 5.105 5.009 774 H TYR 97 H TYR 97 -7.705 3.015 2.774 775 HA TYR 97 HA TYR 97 -9.839 1.128 3.177 776 1HB TYR 97 2HB TYR 97 -10.153 2.726 1.435 777 2HB TYR 97 1HB TYR 97 -8.590 2.349 0.710 778 HD1 TYR 97 HD1 TYR 97 -8.605 0.997 -1.187 779 HD2 TYR 97 HD2 TYR 97 -11.724 0.540 1.732 780 HE1 TYR 97 HE1 TYR 97 -9.669 -0.746 -2.594 781 HE2 TYR 97 HE2 TYR 97 -12.788 -1.199 0.324 782 HH TYR 97 HH TYR 97 -11.601 -2.912 -1.688 783 H LEU 98 H LEU 98 -6.684 0.929 1.528 784 HA LEU 98 HA LEU 98 -7.005 -1.866 0.885 785 1HB LEU 98 2HB LEU 98 -4.928 0.195 0.589 786 2HB LEU 98 1HB LEU 98 -4.282 -1.421 0.873 787 HG LEU 98 HG LEU 98 -4.537 -1.160 -1.513 788 1HD1 LEU 98 1HD1 LEU 98 -7.020 -2.669 -1.161 789 2HD1 LEU 98 2HD1 LEU 98 -5.755 -3.166 -0.038 790 3HD1 LEU 98 3HD1 LEU 98 -5.457 -3.209 -1.775 791 1HD2 LEU 98 1HD2 LEU 98 -6.447 -0.295 -2.569 792 2HD2 LEU 98 2HD2 LEU 98 -6.342 0.699 -1.115 793 3HD2 LEU 98 3HD2 LEU 98 -7.485 -0.642 -1.186 794 H LYS 99 H LYS 99 -6.577 -0.377 3.826 795 HA LYS 99 HA LYS 99 -4.778 -2.397 4.947 796 1HB LYS 99 2HB LYS 99 -5.657 0.217 5.722 797 2HB LYS 99 1HB LYS 99 -6.070 -0.915 7.009 798 1HG LYS 99 2HG LYS 99 -3.447 -1.551 6.035 799 2HG LYS 99 1HG LYS 99 -3.512 0.173 6.407 800 1HD LYS 99 2HD LYS 99 -3.668 -0.201 8.637 801 2HD LYS 99 1HD LYS 99 -4.839 -1.503 8.421 802 1HE LYS 99 2HE LYS 99 -3.223 -3.024 8.776 803 2HE LYS 99 1HE LYS 99 -2.324 -2.396 7.395 804 1HZ LYS 99 1HZ LYS 99 -2.036 -0.595 9.510 805 2HZ LYS 99 2HZ LYS 99 -0.842 -1.566 8.790 806 3HZ LYS 99 3HZ LYS 99 -1.724 -2.146 10.121 807 H LYS 100 H LYS 100 -8.145 -1.346 5.571 808 HA LYS 100 HA LYS 100 -8.735 -3.748 7.097 809 1HB LYS 100 2HB LYS 100 -10.366 -1.464 6.002 810 2HB LYS 100 1HB LYS 100 -11.168 -2.888 6.664 811 1HG LYS 100 2HG LYS 100 -10.739 -2.236 8.777 812 2HG LYS 100 1HG LYS 100 -9.027 -2.010 8.414 813 1HD LYS 100 2HD LYS 100 -10.276 0.085 9.151 814 2HD LYS 100 1HD LYS 100 -9.392 0.223 7.632 815 1HE LYS 100 2HE LYS 100 -11.292 0.709 6.533 816 2HE LYS 100 1HE LYS 100 -12.029 -0.790 7.096 817 1HZ LYS 100 1HZ LYS 100 -11.989 1.829 8.485 818 2HZ LYS 100 2HZ LYS 100 -12.490 0.384 9.226 819 3HZ LYS 100 3HZ LYS 100 -13.342 0.997 7.891 820 H ALA 101 H ALA 101 -8.963 -2.782 3.743 821 HA ALA 101 HA ALA 101 -10.746 -4.875 2.903 822 1HB ALA 101 1HB ALA 101 -8.749 -3.150 1.429 823 2HB ALA 101 2HB ALA 101 -10.506 -3.001 1.442 824 3HB ALA 101 3HB ALA 101 -9.742 -4.356 0.611 825 H THR 102 H THR 102 -7.184 -4.538 2.751 826 HA THR 102 HA THR 102 -7.063 -7.521 2.538 827 HB THR 102 HB THR 102 -6.398 -6.108 0.460 828 HG1 THR 102 HG1 THR 102 -5.582 -7.983 0.075 829 1HG2 THR 102 1HG2 THR 102 -4.724 -4.903 2.363 830 2HG2 THR 102 2HG2 THR 102 -4.671 -4.677 0.616 831 3HG2 THR 102 3HG2 THR 102 -3.657 -5.901 1.377 832 H ASN 103 H ASN 103 -7.033 -6.144 5.022 833 HA ASN 103 HA ASN 103 -4.716 -7.247 6.235 834 1HB ASN 103 2HB ASN 103 -3.884 -5.114 4.876 835 2HB ASN 103 1HB ASN 103 -4.469 -4.269 6.309 836 1HD2 ASN 103 1HD2 ASN 103 -2.608 -7.308 5.671 837 2HD2 ASN 103 2HD2 ASN 103 -1.438 -7.007 6.863 838 H GLU 104 HN GLU 104 -7.338 -7.377 6.939 839 HA GLU 104 HA GLU 104 -7.804 -5.388 9.086 840 1HB GLU 104 2HB GLU 104 -9.614 -6.247 7.447 841 2HB GLU 104 1HB GLU 104 -9.595 -7.724 8.411 842 1HG GLU 104 2HG GLU 104 -10.039 -6.368 10.450 843 2HG GLU 104 1HG GLU 104 -10.142 -4.924 9.441 844 HHA HEC 105 HHA HEC 105 4.144 -2.468 -9.193 845 HHB HEC 105 HHB HEC 105 1.411 1.162 -4.830 846 HHC HEC 105 HHC HEC 105 -2.075 3.951 -9.313 847 HHD HEC 105 HHD HEC 105 0.679 0.317 -13.688 848 1HMA HEC 105 1HMA HEC 105 2.408 -0.519 -3.834 849 2HMA HEC 105 2HMA HEC 105 4.071 -0.003 -4.118 850 3HMA HEC 105 3HMA HEC 105 3.674 -1.721 -4.080 851 1HAA HEC 105 1HAA HEC 105 4.885 -2.620 -5.522 852 2HAA HEC 105 2HAA HEC 105 5.575 -2.262 -7.093 853 1HBA HEC 105 1HBA HEC 105 5.066 -4.530 -7.279 854 2HBA HEC 105 2HBA HEC 105 3.641 -3.778 -7.993 855 1HMB HEC 105 1HMB HEC 105 0.094 3.895 -4.135 856 2HMB HEC 105 2HMB HEC 105 -0.154 2.168 -3.888 857 3HMB HEC 105 3HMB HEC 105 -1.539 3.233 -4.129 858 HAB HEC 105 HAB HEC 105 -2.330 5.065 -7.522 859 1HBB HEC 105 1HBB HEC 105 -0.769 5.922 -5.825 860 2HBB HEC 105 2HBB HEC 105 -1.704 5.064 -4.599 861 3HBB HEC 105 3HBB HEC 105 -2.460 6.344 -5.549 862 1HMC HEC 105 1HMC HEC 105 -3.344 3.942 -11.154 863 2HMC HEC 105 2HMC HEC 105 -2.206 4.915 -12.086 864 3HMC HEC 105 3HMC HEC 105 -3.198 3.701 -12.894 865 HAC HEC 105 HAC HEC 105 -0.627 1.521 -14.675 866 1HBC HEC 105 1HBC HEC 105 -0.926 3.409 -15.724 867 2HBC HEC 105 2HBC HEC 105 -1.088 4.178 -14.145 868 3HBC HEC 105 3HBC HEC 105 -2.524 3.639 -15.015 869 1HMD HEC 105 1HMD HEC 105 1.635 -2.092 -14.426 870 2HMD HEC 105 2HMD HEC 105 2.704 -0.703 -14.621 871 3HMD HEC 105 3HMD HEC 105 3.383 -2.298 -14.302 872 1HAD HEC 105 1HAD HEC 105 3.716 -4.016 -11.568 873 2HAD HEC 105 2HAD HEC 105 4.413 -3.166 -12.937 874 1HBD HEC 105 1HBD HEC 105 6.297 -3.356 -11.658 875 2HBD HEC 105 2HBD HEC 105 5.403 -3.385 -10.143 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 -8.897 9.286 8.948 2 2H GLY 1 2HT GLY 1 -9.574 7.816 9.466 3 3H GLY 1 3HT GLY 1 -10.491 9.244 9.530 4 1HA GLY 1 1HA GLY 1 -10.461 9.403 7.117 5 2HA GLY 1 2HA GLY 1 -9.521 7.911 7.060 6 H ASP 2 H ASP 2 -11.644 7.474 5.707 7 HA ASP 2 HA ASP 2 -13.536 6.096 7.560 8 1HB ASP 2 2HB ASP 2 -14.210 8.363 6.128 9 2HB ASP 2 1HB ASP 2 -14.755 7.063 5.068 10 H VAL 3 H VAL 3 -15.014 4.602 6.010 11 HA VAL 3 HA VAL 3 -13.102 2.824 4.687 12 HB VAL 3 HB VAL 3 -16.081 2.446 4.592 13 1HG1 VAL 3 1HG1 VAL 3 -13.928 0.435 5.233 14 2HG1 VAL 3 2HG1 VAL 3 -14.265 0.900 3.565 15 3HG1 VAL 3 3HG1 VAL 3 -15.528 0.155 4.546 16 1HG2 VAL 3 1HG2 VAL 3 -16.200 2.636 6.842 17 2HG2 VAL 3 2HG2 VAL 3 -14.449 2.790 6.986 18 3HG2 VAL 3 3HG2 VAL 3 -15.192 1.191 6.926 19 H GLU 4 H GLU 4 -16.148 4.398 3.613 20 HA GLU 4 HA GLU 4 -15.748 3.821 0.845 21 1HB GLU 4 2HB GLU 4 -17.917 4.556 1.878 22 2HB GLU 4 1HB GLU 4 -17.246 6.182 2.014 23 1HG GLU 4 2HG GLU 4 -17.446 6.592 -0.217 24 2HG GLU 4 1HG GLU 4 -16.979 4.949 -0.659 25 H LYS 5 H LYS 5 -14.495 6.351 2.914 26 HA LYS 5 HA LYS 5 -13.745 8.257 0.953 27 1HB LYS 5 2HB LYS 5 -13.199 7.769 3.729 28 2HB LYS 5 1HB LYS 5 -11.683 8.146 2.909 29 1HG LYS 5 2HG LYS 5 -13.381 9.993 1.798 30 2HG LYS 5 1HG LYS 5 -14.009 9.877 3.442 31 1HD LYS 5 2HD LYS 5 -11.048 10.063 3.103 32 2HD LYS 5 1HD LYS 5 -11.997 11.526 2.834 33 1HE LYS 5 2HE LYS 5 -13.141 10.624 5.127 34 2HE LYS 5 1HE LYS 5 -11.493 10.035 5.345 35 1HZ LYS 5 1HZ LYS 5 -10.838 12.394 4.624 36 2HZ LYS 5 2HZ LYS 5 -11.415 12.164 6.206 37 3HZ LYS 5 3HZ LYS 5 -12.436 12.809 5.011 38 H GLY 6 H GLY 6 -11.593 5.795 2.432 39 1HA GLY 6 1HA GLY 6 -9.533 6.129 0.470 40 2HA GLY 6 2HA GLY 6 -9.689 4.744 1.551 41 H LYS 7 H LYS 7 -12.314 3.935 0.654 42 HA LYS 7 HA LYS 7 -11.624 2.214 -1.493 43 1HB LYS 7 2HB LYS 7 -13.597 2.019 0.137 44 2HB LYS 7 1HB LYS 7 -14.440 3.152 -0.920 45 1HG LYS 7 2HG LYS 7 -13.496 1.376 -2.753 46 2HG LYS 7 1HG LYS 7 -13.748 0.310 -1.371 47 1HD LYS 7 2HD LYS 7 -15.797 2.148 -2.641 48 2HD LYS 7 1HD LYS 7 -15.802 0.384 -2.664 49 1HE LYS 7 2HE LYS 7 -15.591 1.362 0.055 50 2HE LYS 7 1HE LYS 7 -17.007 2.047 -0.742 51 1HZ LYS 7 1HZ LYS 7 -17.978 0.110 -0.298 52 2HZ LYS 7 2HZ LYS 7 -16.507 -0.649 0.090 53 3HZ LYS 7 3HZ LYS 7 -17.016 -0.553 -1.528 54 H LYS 8 H LYS 8 -12.792 5.510 -1.501 55 HA LYS 8 HA LYS 8 -13.534 5.456 -4.335 56 1HB LYS 8 2HB LYS 8 -13.372 7.587 -2.214 57 2HB LYS 8 1HB LYS 8 -13.565 8.030 -3.910 58 1HG LYS 8 2HG LYS 8 -15.478 6.194 -3.829 59 2HG LYS 8 1HG LYS 8 -15.459 6.575 -2.106 60 1HD LYS 8 2HD LYS 8 -15.486 9.069 -2.965 61 2HD LYS 8 1HD LYS 8 -16.154 8.342 -4.427 62 1HE LYS 8 2HE LYS 8 -17.946 7.299 -3.121 63 2HE LYS 8 1HE LYS 8 -17.261 7.949 -1.632 64 1HZ LYS 8 1HZ LYS 8 -17.832 9.831 -3.789 65 2HZ LYS 8 2HZ LYS 8 -17.952 10.038 -2.107 66 3HZ LYS 8 3HZ LYS 8 -19.158 9.189 -2.950 67 H ILE 9 H ILE 9 -10.813 6.674 -2.390 68 HA ILE 9 HA ILE 9 -9.436 7.992 -4.506 69 HB ILE 9 HB ILE 9 -8.108 6.560 -2.198 70 1HG1 ILE 9 2HG1 ILE 9 -9.889 7.812 -1.194 71 2HG1 ILE 9 1HG1 ILE 9 -8.440 8.803 -1.022 72 1HG2 ILE 9 1HG2 ILE 9 -6.352 8.083 -2.513 73 2HG2 ILE 9 2HG2 ILE 9 -7.378 9.235 -3.370 74 3HG2 ILE 9 3HG2 ILE 9 -6.858 7.751 -4.171 75 1HD1 ILE 9 1HD1 ILE 9 -10.731 9.148 -2.952 76 2HD1 ILE 9 2HD1 ILE 9 -9.157 9.879 -3.268 77 3HD1 ILE 9 3HD1 ILE 9 -10.060 10.322 -1.820 78 H PHE 10 H PHE 10 -8.747 4.729 -3.158 79 HA PHE 10 HA PHE 10 -6.923 4.014 -5.235 80 1HB PHE 10 2HB PHE 10 -7.185 2.819 -3.032 81 2HB PHE 10 1HB PHE 10 -8.677 2.114 -3.657 82 HD1 PHE 10 HD1 PHE 10 -5.111 1.815 -3.506 83 HD2 PHE 10 HD2 PHE 10 -8.533 0.837 -5.911 84 HE1 PHE 10 HE1 PHE 10 -3.796 0.060 -4.666 85 HE2 PHE 10 HE2 PHE 10 -7.210 -0.921 -7.067 86 HZ PHE 10 HZ PHE 10 -4.857 -1.307 -6.448 87 H ILE 11 H ILE 11 -10.432 3.520 -4.919 88 HA ILE 11 HA ILE 11 -10.690 1.977 -7.337 89 HB ILE 11 HB ILE 11 -12.667 3.615 -5.737 90 1HG1 ILE 11 2HG1 ILE 11 -11.674 1.486 -4.784 91 2HG1 ILE 11 1HG1 ILE 11 -13.430 1.464 -4.959 92 1HG2 ILE 11 1HG2 ILE 11 -14.226 1.983 -7.215 93 2HG2 ILE 11 2HG2 ILE 11 -12.923 2.256 -8.371 94 3HG2 ILE 11 3HG2 ILE 11 -13.825 3.624 -7.720 95 1HD1 ILE 11 1HD1 ILE 11 -11.902 0.532 -7.321 96 2HD1 ILE 11 2HD1 ILE 11 -13.379 -0.116 -6.608 97 3HD1 ILE 11 3HD1 ILE 11 -11.812 -0.507 -5.899 98 H MET 12 H MET 12 -10.019 5.277 -6.826 99 HA MET 12 HA MET 12 -10.691 5.817 -9.683 100 1HB MET 12 2HB MET 12 -12.345 6.869 -8.070 101 2HB MET 12 1HB MET 12 -11.013 7.861 -7.475 102 1HG MET 12 2HG MET 12 -10.770 8.171 -10.194 103 2HG MET 12 1HG MET 12 -12.519 8.060 -9.998 104 1HE MET 12 1HE MET 12 -13.479 10.843 -7.625 105 2HE MET 12 2HE MET 12 -13.159 9.155 -7.234 106 3HE MET 12 3HE MET 12 -13.982 9.563 -8.738 107 H LYS 13 H LYS 13 -8.161 5.231 -7.985 108 HA LYS 13 HA LYS 13 -6.601 7.518 -9.109 109 1HB LYS 13 2HB LYS 13 -6.925 7.494 -6.512 110 2HB LYS 13 1HB LYS 13 -5.758 6.172 -6.550 111 1HG LYS 13 2HG LYS 13 -4.188 7.807 -6.508 112 2HG LYS 13 1HG LYS 13 -4.584 8.026 -8.213 113 1HD LYS 13 2HD LYS 13 -6.148 9.781 -7.708 114 2HD LYS 13 1HD LYS 13 -6.045 9.453 -5.978 115 1HE LYS 13 2HE LYS 13 -3.982 10.469 -5.766 116 2HE LYS 13 1HE LYS 13 -3.509 10.093 -7.423 117 1HZ LYS 13 1HZ LYS 13 -5.788 11.833 -7.248 118 2HZ LYS 13 2HZ LYS 13 -4.370 11.990 -8.170 119 3HZ LYS 13 3HZ LYS 13 -4.392 12.498 -6.550 120 H CYS 14 H CYS 14 -6.516 4.163 -7.918 121 HA CYS 14 HA CYS 14 -4.492 3.590 -10.034 122 1HB CYS 14 2HB CYS 14 -4.217 1.935 -7.609 123 2HB CYS 14 1HB CYS 14 -2.970 2.695 -8.591 124 H SER 15 H SER 15 -7.458 3.213 -9.699 125 HA SER 15 HA SER 15 -7.777 0.300 -9.440 126 1HB SER 15 2HB SER 15 -9.486 2.139 -8.749 127 2HB SER 15 1HB SER 15 -9.882 2.201 -10.464 128 HG SER 15 HG SER 15 -10.620 0.170 -10.379 129 H GLN 16 H GLN 16 -6.381 1.989 -11.755 130 HA GLN 16 HA GLN 16 -7.809 0.719 -14.038 131 1HB GLN 16 2HB GLN 16 -5.993 3.057 -13.712 132 2HB GLN 16 1HB GLN 16 -5.836 2.144 -15.213 133 1HG GLN 16 2HG GLN 16 -8.611 2.415 -14.762 134 2HG GLN 16 1HG GLN 16 -7.908 4.000 -14.434 135 1HE2 GLN 16 1HE2 GLN 16 -9.543 3.176 -16.814 136 2HE2 GLN 16 2HE2 GLN 16 -8.559 3.474 -18.165 137 H CYS 17 H CYS 17 -4.600 0.980 -12.537 138 HA CYS 17 HA CYS 17 -3.671 -1.300 -14.202 139 1HB CYS 17 2HB CYS 17 -2.266 0.771 -12.511 140 2HB CYS 17 1HB CYS 17 -1.437 -0.695 -13.033 141 H HIS 18 H HIS 18 -4.675 -0.471 -10.979 142 HA HIS 18 HA HIS 18 -3.781 -3.175 -10.043 143 1HB HIS 18 2HB HIS 18 -4.297 -0.655 -8.445 144 2HB HIS 18 1HB HIS 18 -3.924 -2.228 -7.746 145 HD1 HIS 18 HD1 HIS 18 -1.508 -3.007 -7.801 146 HD2 HIS 18 HD2 HIS 18 -2.107 0.536 -9.886 147 HE1 HIS 18 HE1 HIS 18 0.790 -2.035 -8.228 148 H THR 19 H THR 19 -5.866 -3.984 -11.003 149 HA THR 19 HA THR 19 -8.340 -3.031 -9.769 150 HB THR 19 HB THR 19 -9.394 -4.915 -11.006 151 HG1 THR 19 HG1 THR 19 -6.777 -5.455 -11.932 152 1HG2 THR 19 1HG2 THR 19 -8.283 -4.208 -13.333 153 2HG2 THR 19 2HG2 THR 19 -7.582 -2.947 -12.319 154 3HG2 THR 19 3HG2 THR 19 -9.334 -3.114 -12.433 155 H VAL 20 H VAL 20 -8.319 -3.417 -7.567 156 HA VAL 20 HA VAL 20 -7.369 -5.980 -6.507 157 HB VAL 20 HB VAL 20 -7.744 -5.024 -4.348 158 1HG1 VAL 20 1HG1 VAL 20 -6.603 -2.847 -4.530 159 2HG1 VAL 20 2HG1 VAL 20 -6.963 -2.799 -6.256 160 3HG1 VAL 20 3HG1 VAL 20 -5.871 -4.027 -5.617 161 1HG2 VAL 20 1HG2 VAL 20 -8.920 -2.589 -4.539 162 2HG2 VAL 20 2HG2 VAL 20 -9.822 -4.068 -4.202 163 3HG2 VAL 20 3HG2 VAL 20 -9.754 -3.430 -5.845 164 H GLU 21 H GLU 21 -9.972 -5.466 -8.228 165 HA GLU 21 HA GLU 21 -11.745 -7.080 -6.439 166 1HB GLU 21 2HB GLU 21 -12.570 -5.098 -8.585 167 2HB GLU 21 1HB GLU 21 -13.666 -6.046 -7.579 168 1HG GLU 21 2HG GLU 21 -13.056 -4.881 -5.612 169 2HG GLU 21 1HG GLU 21 -11.597 -4.223 -6.353 170 H LYS 22 H LYS 22 -9.678 -7.676 -8.695 171 HA LYS 22 HA LYS 22 -11.407 -8.972 -10.702 172 1HB LYS 22 2HB LYS 22 -9.019 -7.784 -10.967 173 2HB LYS 22 1HB LYS 22 -8.460 -9.418 -10.616 174 1HG LYS 22 2HG LYS 22 -8.762 -9.797 -12.835 175 2HG LYS 22 1HG LYS 22 -10.481 -9.870 -12.438 176 1HD LYS 22 2HD LYS 22 -10.656 -7.424 -12.835 177 2HD LYS 22 1HD LYS 22 -8.954 -7.394 -13.300 178 1HE LYS 22 2HE LYS 22 -10.031 -7.591 -15.372 179 2HE LYS 22 1HE LYS 22 -9.644 -9.268 -14.988 180 1HZ LYS 22 1HZ LYS 22 -12.141 -8.426 -13.871 181 2HZ LYS 22 2HZ LYS 22 -11.785 -9.786 -14.826 182 3HZ LYS 22 3HZ LYS 22 -12.119 -8.291 -15.562 183 H GLY 23 H GLY 23 -10.468 -11.336 -11.272 184 1HA GLY 23 2HA GLY 23 -10.895 -12.909 -8.819 185 2HA GLY 23 1HA GLY 23 -10.825 -13.550 -10.461 186 H GLY 24 H GLY 24 -8.558 -11.649 -8.436 187 1HA GLY 24 1HA GLY 24 -6.360 -12.173 -7.765 188 2HA GLY 24 2HA GLY 24 -6.645 -13.831 -8.295 189 H LYS 25 H LYS 25 -7.473 -11.687 -10.749 190 HA LYS 25 HA LYS 25 -4.938 -12.311 -12.172 191 1HB LYS 25 2HB LYS 25 -7.334 -12.754 -13.103 192 2HB LYS 25 1HB LYS 25 -7.357 -11.019 -13.419 193 1HG LYS 25 2HG LYS 25 -5.914 -11.203 -15.157 194 2HG LYS 25 1HG LYS 25 -4.874 -12.331 -14.286 195 1HD LYS 25 2HD LYS 25 -5.722 -13.678 -16.003 196 2HD LYS 25 1HD LYS 25 -6.833 -14.027 -14.677 197 1HE LYS 25 2HE LYS 25 -8.017 -11.829 -15.798 198 2HE LYS 25 1HE LYS 25 -7.324 -12.610 -17.220 199 1HZ LYS 25 1HZ LYS 25 -9.046 -13.943 -15.200 200 2HZ LYS 25 2HZ LYS 25 -8.411 -14.659 -16.604 201 3HZ LYS 25 3HZ LYS 25 -9.561 -13.415 -16.726 202 H HIS 26 H HIS 26 -3.923 -10.549 -13.455 203 HA HIS 26 HA HIS 26 -4.608 -7.819 -12.520 204 1HB HIS 26 2HB HIS 26 -1.926 -7.604 -12.506 205 2HB HIS 26 1HB HIS 26 -2.858 -8.000 -11.071 206 HD1 HIS 26 HD1 HIS 26 -2.164 -10.413 -13.903 207 HD2 HIS 26 HD2 HIS 26 -0.983 -9.790 -9.945 208 HE1 HIS 26 HE1 HIS 26 -0.834 -12.456 -13.220 209 H LYS 27 H LYS 27 -5.078 -6.832 -14.429 210 HA LYS 27 HA LYS 27 -3.958 -7.587 -16.956 211 1HB LYS 27 2HB LYS 27 -5.405 -5.104 -16.007 212 2HB LYS 27 1HB LYS 27 -4.855 -5.293 -17.673 213 1HG LYS 27 2HG LYS 27 -6.804 -6.367 -18.057 214 2HG LYS 27 1HG LYS 27 -6.129 -7.706 -17.128 215 1HD LYS 27 2HD LYS 27 -8.359 -6.983 -16.277 216 2HD LYS 27 1HD LYS 27 -7.085 -6.810 -15.068 217 1HE LYS 27 2HE LYS 27 -7.346 -4.570 -14.978 218 2HE LYS 27 1HE LYS 27 -7.344 -4.427 -16.736 219 1HZ LYS 27 1HZ LYS 27 -9.695 -5.427 -16.531 220 2HZ LYS 27 2HZ LYS 27 -9.467 -3.780 -16.178 221 3HZ LYS 27 3HZ LYS 27 -9.608 -4.911 -14.917 222 H THR 28 H THR 28 -3.610 -4.256 -15.822 223 HA THR 28 HA THR 28 -0.801 -4.289 -16.732 224 HB THR 28 HB THR 28 -2.585 -2.066 -15.690 225 HG1 THR 28 HG1 THR 28 -1.872 -1.500 -18.046 226 1HG2 THR 28 1HG2 THR 28 0.328 -2.139 -16.427 227 2HG2 THR 28 2HG2 THR 28 -0.455 -1.326 -15.072 228 3HG2 THR 28 3HG2 THR 28 -0.613 -0.672 -16.700 229 H GLY 29 H GLY 29 -1.690 -2.273 -14.014 230 1HA GLY 29 2HA GLY 29 0.492 -2.965 -12.393 231 2HA GLY 29 1HA GLY 29 -1.025 -2.340 -11.759 232 HA PRO 30 HA PRO 30 -0.358 -6.983 -10.826 233 1HB PRO 30 2HB PRO 30 0.558 -6.750 -8.247 234 2HB PRO 30 1HB PRO 30 1.615 -6.883 -9.664 235 1HG PRO 30 2HG PRO 30 0.883 -4.434 -8.093 236 2HG PRO 30 1HG PRO 30 2.426 -4.864 -8.849 237 1HD PRO 30 2HD PRO 30 0.639 -3.091 -9.989 238 2HD PRO 30 1HD PRO 30 1.780 -4.066 -10.931 239 H ASN 31 H ASN 31 -1.837 -8.144 -9.530 240 HA ASN 31 HA ASN 31 -4.248 -6.804 -8.807 241 1HB ASN 31 2HB ASN 31 -4.316 -9.140 -9.395 242 2HB ASN 31 1HB ASN 31 -3.175 -9.553 -8.114 243 1HD2 ASN 31 1HD2 ASN 31 -6.159 -7.509 -8.130 244 2HD2 ASN 31 2HD2 ASN 31 -6.906 -8.335 -6.848 245 H LEU 32 H LEU 32 -4.090 -5.253 -7.249 246 HA LEU 32 HA LEU 32 -2.467 -5.624 -4.860 247 1HB LEU 32 2HB LEU 32 -3.878 -3.441 -6.184 248 2HB LEU 32 1HB LEU 32 -4.123 -3.417 -4.438 249 HG LEU 32 HG LEU 32 -1.825 -3.175 -3.994 250 1HD1 LEU 32 1HD1 LEU 32 -0.274 -3.389 -6.193 251 2HD1 LEU 32 2HD1 LEU 32 -1.540 -4.545 -6.613 252 3HD1 LEU 32 3HD1 LEU 32 -0.613 -4.754 -5.128 253 1HD2 LEU 32 1HD2 LEU 32 -1.037 -1.536 -5.948 254 2HD2 LEU 32 2HD2 LEU 32 -2.301 -1.063 -4.814 255 3HD2 LEU 32 3HD2 LEU 32 -2.733 -1.668 -6.413 256 H HIS 33 H HIS 33 -4.133 -7.724 -4.746 257 HA HIS 33 HA HIS 33 -6.460 -6.962 -3.063 258 1HB HIS 33 2HB HIS 33 -6.746 -8.579 -4.982 259 2HB HIS 33 1HB HIS 33 -5.692 -9.700 -4.120 260 HD1 HIS 33 HD1 HIS 33 -7.846 -7.700 -1.914 261 HD2 HIS 33 HD2 HIS 33 -8.121 -11.360 -3.893 262 HE1 HIS 33 HE1 HIS 33 -9.785 -8.942 -0.859 263 H GLY 34 H GLY 34 -3.940 -6.561 -1.907 264 1HA GLY 34 2HA GLY 34 -3.786 -7.240 0.588 265 2HA GLY 34 1HA GLY 34 -3.622 -8.877 -0.049 266 H LEU 35 H LEU 35 -2.245 -5.772 -1.129 267 HA LEU 35 HA LEU 35 0.288 -6.908 -1.793 268 1HB LEU 35 2HB LEU 35 -0.831 -4.670 -2.547 269 2HB LEU 35 1HB LEU 35 -0.056 -4.003 -1.110 270 HG LEU 35 HG LEU 35 1.603 -5.697 -2.928 271 1HD1 LEU 35 1HD1 LEU 35 1.412 -4.342 -4.714 272 2HD1 LEU 35 2HD1 LEU 35 1.813 -2.943 -3.716 273 3HD1 LEU 35 3HD1 LEU 35 0.135 -3.455 -3.881 274 1HD2 LEU 35 1HD2 LEU 35 3.004 -4.942 -1.301 275 2HD2 LEU 35 2HD2 LEU 35 1.919 -3.627 -0.849 276 3HD2 LEU 35 3HD2 LEU 35 3.005 -3.441 -2.226 277 H PHE 36 H PHE 36 -0.924 -5.366 1.152 278 HA PHE 36 HA PHE 36 1.571 -4.945 2.446 279 1HB PHE 36 2HB PHE 36 -1.086 -5.693 3.702 280 2HB PHE 36 1HB PHE 36 0.285 -4.971 4.541 281 HD1 PHE 36 HD1 PHE 36 1.182 -3.101 2.313 282 HD2 PHE 36 HD2 PHE 36 -2.688 -3.936 3.974 283 HE1 PHE 36 HE1 PHE 36 0.408 -0.841 1.645 284 HE2 PHE 36 HE2 PHE 36 -3.463 -1.678 3.307 285 HZ PHE 36 HZ PHE 36 -1.916 -0.130 2.146 286 H GLY 37 H GLY 37 2.894 -6.288 3.655 287 1HA GLY 37 2HA GLY 37 3.762 -8.286 4.534 288 2HA GLY 37 1HA GLY 37 2.112 -8.911 4.562 289 H ARG 38 H ARG 38 3.274 -7.704 1.537 290 HA ARG 38 HA ARG 38 3.907 -10.483 0.646 291 1HB ARG 38 2HB ARG 38 1.519 -9.582 0.073 292 2HB ARG 38 1HB ARG 38 2.365 -8.594 -1.118 293 1HG ARG 38 2HG ARG 38 3.476 -10.754 -1.918 294 2HG ARG 38 1HG ARG 38 2.294 -11.612 -0.928 295 1HD ARG 38 2HD ARG 38 1.639 -11.279 -3.367 296 2HD ARG 38 1HD ARG 38 0.459 -10.717 -2.184 297 HE ARG 38 HE ARG 38 0.740 -8.599 -3.155 298 1HH1 ARG 38 1HH1 ARG 38 2.696 -10.154 -5.113 299 2HH1 ARG 38 2HH1 ARG 38 4.021 -9.038 -5.110 300 1HH2 ARG 38 1HH2 ARG 38 2.866 -7.260 -2.366 301 2HH2 ARG 38 2HH2 ARG 38 4.118 -7.401 -3.555 302 H LYS 39 H LYS 39 6.122 -10.112 0.381 303 HA LYS 39 HA LYS 39 7.288 -7.721 -0.635 304 1HB LYS 39 2HB LYS 39 9.284 -9.111 -1.073 305 2HB LYS 39 1HB LYS 39 8.593 -9.486 0.506 306 1HG LYS 39 2HG LYS 39 7.228 -11.278 -0.919 307 2HG LYS 39 1HG LYS 39 8.624 -11.131 -1.988 308 1HD LYS 39 2HD LYS 39 9.666 -11.276 0.634 309 2HD LYS 39 1HD LYS 39 8.419 -12.519 0.536 310 1HE LYS 39 2HE LYS 39 10.598 -13.410 -0.197 311 2HE LYS 39 1HE LYS 39 9.444 -13.393 -1.531 312 1HZ LYS 39 1HZ LYS 39 11.927 -12.061 -1.315 313 2HZ LYS 39 2HZ LYS 39 10.686 -10.921 -1.532 314 3HZ LYS 39 3HZ LYS 39 10.894 -12.178 -2.655 315 H THR 40 H THR 40 8.488 -7.682 -2.839 316 HA THR 40 HA THR 40 6.523 -8.014 -4.930 317 HB THR 40 HB THR 40 9.278 -7.737 -5.866 318 HG1 THR 40 HG1 THR 40 8.431 -5.574 -4.344 319 1HG2 THR 40 1HG2 THR 40 8.295 -6.221 -7.258 320 2HG2 THR 40 2HG2 THR 40 7.357 -5.487 -5.957 321 3HG2 THR 40 3HG2 THR 40 6.806 -6.987 -6.703 322 H GLY 41 H GLY 41 7.243 -9.206 -7.038 323 1HA GLY 41 2HA GLY 41 7.861 -11.196 -8.117 324 2HA GLY 41 1HA GLY 41 8.930 -11.527 -6.758 325 H GLN 42 H GLN 42 5.458 -11.536 -7.625 326 HA GLN 42 HA GLN 42 5.198 -14.014 -5.983 327 1HB GLN 42 2HB GLN 42 3.171 -11.758 -5.999 328 2HB GLN 42 1HB GLN 42 3.087 -13.244 -5.054 329 1HG GLN 42 2HG GLN 42 5.113 -11.012 -4.771 330 2HG GLN 42 1HG GLN 42 3.900 -11.508 -3.590 331 1HE2 GLN 42 1HE2 GLN 42 6.921 -11.507 -3.351 332 2HE2 GLN 42 2HE2 GLN 42 7.333 -13.104 -2.956 333 H ALA 43 H ALA 43 3.422 -11.907 -8.285 334 HA ALA 43 HA ALA 43 1.819 -14.092 -9.280 335 1HB ALA 43 1HB ALA 43 0.971 -11.852 -9.526 336 2HB ALA 43 2HB ALA 43 1.296 -12.463 -11.149 337 3HB ALA 43 3HB ALA 43 2.422 -11.338 -10.387 338 HA PRO 44 HA PRO 44 4.854 -15.788 -12.024 339 1HB PRO 44 2HB PRO 44 3.157 -17.525 -13.312 340 2HB PRO 44 1HB PRO 44 3.800 -17.812 -11.686 341 1HG PRO 44 2HG PRO 44 1.054 -16.994 -12.498 342 2HG PRO 44 1HG PRO 44 1.584 -17.851 -11.042 343 1HD PRO 44 2HD PRO 44 0.918 -15.096 -11.212 344 2HD PRO 44 1HD PRO 44 1.716 -15.904 -9.846 345 H GLY 45 H GLY 45 1.837 -15.897 -13.902 346 1HA GLY 45 2HA GLY 45 2.821 -15.214 -16.383 347 2HA GLY 45 1HA GLY 45 1.209 -14.727 -15.857 348 H TYR 46 H TYR 46 2.189 -13.011 -13.703 349 HA TYR 46 HA TYR 46 2.709 -10.614 -15.296 350 1HB TYR 46 2HB TYR 46 1.297 -10.872 -13.095 351 2HB TYR 46 1HB TYR 46 2.856 -10.729 -12.291 352 HD1 TYR 46 HD1 TYR 46 0.252 -8.822 -12.552 353 HD2 TYR 46 HD2 TYR 46 4.224 -8.778 -14.136 354 HE1 TYR 46 HE1 TYR 46 0.119 -6.365 -12.806 355 HE2 TYR 46 HE2 TYR 46 4.105 -6.328 -14.389 356 HH TYR 46 HH TYR 46 1.831 -4.440 -12.896 357 H SER 47 H SER 47 4.738 -9.969 -15.845 358 HA SER 47 HA SER 47 7.079 -11.146 -14.492 359 1HB SER 47 2HB SER 47 6.614 -10.225 -17.080 360 2HB SER 47 1HB SER 47 7.596 -8.951 -16.366 361 HG SER 47 HG SER 47 8.806 -10.702 -17.322 362 H TYR 48 H TYR 48 6.067 -9.989 -12.487 363 HA TYR 48 HA TYR 48 5.862 -7.348 -11.932 364 1HB TYR 48 2HB TYR 48 7.056 -9.596 -10.373 365 2HB TYR 48 1HB TYR 48 7.186 -7.962 -9.725 366 HD1 TYR 48 HD1 TYR 48 4.361 -8.878 -11.874 367 HD2 TYR 48 HD2 TYR 48 5.707 -8.489 -7.856 368 HE1 TYR 48 HE1 TYR 48 2.025 -9.018 -11.056 369 HE2 TYR 48 HE2 TYR 48 3.393 -8.627 -7.041 370 HH TYR 48 HH TYR 48 0.911 -9.782 -8.784 371 H THR 49 H THR 49 7.354 -5.749 -10.994 372 HA THR 49 HA THR 49 9.647 -5.327 -12.682 373 HB THR 49 HB THR 49 10.028 -3.342 -11.339 374 HG1 THR 49 HG1 THR 49 8.330 -4.694 -9.533 375 1HG2 THR 49 1HG2 THR 49 8.265 -2.788 -12.698 376 2HG2 THR 49 2HG2 THR 49 7.447 -2.644 -11.143 377 3HG2 THR 49 3HG2 THR 49 7.258 -4.109 -12.106 378 H ALA 50 H ALA 50 10.963 -7.175 -12.372 379 HA ALA 50 HA ALA 50 11.871 -8.469 -10.151 380 1HB ALA 50 1HB ALA 50 13.290 -9.298 -11.685 381 2HB ALA 50 2HB ALA 50 14.230 -7.807 -11.609 382 3HB ALA 50 3HB ALA 50 12.911 -7.959 -12.768 383 H ALA 51 H ALA 51 12.735 -5.184 -11.102 384 HA ALA 51 HA ALA 51 14.895 -4.686 -9.380 385 1HB ALA 51 1HB ALA 51 12.618 -2.935 -10.304 386 2HB ALA 51 2HB ALA 51 14.299 -2.919 -10.835 387 3HB ALA 51 3HB ALA 51 13.874 -2.309 -9.236 388 H ASN 52 H ASN 52 11.495 -3.851 -8.580 389 HA ASN 52 HA ASN 52 11.687 -3.275 -5.910 390 1HB ASN 52 2HB ASN 52 9.642 -4.476 -7.620 391 2HB ASN 52 1HB ASN 52 9.497 -4.978 -5.934 392 1HD2 ASN 52 1HD2 ASN 52 8.223 -2.749 -7.911 393 2HD2 ASN 52 2HD2 ASN 52 8.067 -1.431 -6.852 394 H LYS 53 H LYS 53 11.270 -6.627 -7.116 395 HA LYS 53 HA LYS 53 11.489 -7.947 -4.648 396 1HB LYS 53 2HB LYS 53 11.302 -8.723 -7.292 397 2HB LYS 53 1HB LYS 53 12.887 -9.337 -6.820 398 1HG LYS 53 2HG LYS 53 10.381 -9.785 -5.179 399 2HG LYS 53 1HG LYS 53 10.961 -10.929 -6.391 400 1HD LYS 53 2HD LYS 53 13.113 -10.110 -4.617 401 2HD LYS 53 1HD LYS 53 11.763 -10.791 -3.708 402 1HE LYS 53 2HE LYS 53 11.964 -12.871 -4.694 403 2HE LYS 53 1HE LYS 53 12.623 -12.213 -6.191 404 1HZ LYS 53 1HZ LYS 53 14.647 -12.635 -5.444 405 2HZ LYS 53 2HZ LYS 53 14.010 -13.264 -4.000 406 3HZ LYS 53 3HZ LYS 53 14.396 -11.613 -4.114 407 H ASN 54 H ASN 54 14.106 -6.919 -6.829 408 HA ASN 54 HA ASN 54 16.222 -8.067 -5.288 409 1HB ASN 54 2HB ASN 54 16.114 -6.944 -7.736 410 2HB ASN 54 1HB ASN 54 16.749 -5.574 -6.823 411 1HD2 ASN 54 1HD2 ASN 54 18.557 -6.507 -8.581 412 2HD2 ASN 54 2HD2 ASN 54 19.732 -7.482 -7.840 413 H LYS 55 H LYS 55 14.419 -5.092 -5.003 414 HA LYS 55 HA LYS 55 16.302 -3.768 -3.270 415 1HB LYS 55 2HB LYS 55 14.209 -2.891 -4.684 416 2HB LYS 55 1HB LYS 55 13.392 -3.143 -3.144 417 1HG LYS 55 2HG LYS 55 14.157 -0.925 -2.972 418 2HG LYS 55 1HG LYS 55 15.409 -1.838 -2.130 419 1HD LYS 55 2HD LYS 55 16.373 -1.964 -4.658 420 2HD LYS 55 1HD LYS 55 15.535 -0.415 -4.734 421 1HE LYS 55 2HE LYS 55 16.790 0.446 -2.869 422 2HE LYS 55 1HE LYS 55 17.473 -1.144 -2.524 423 1HZ LYS 55 1HZ LYS 55 19.166 -0.354 -3.748 424 2HZ LYS 55 2HZ LYS 55 18.209 0.793 -4.558 425 3HZ LYS 55 3HZ LYS 55 18.203 -0.831 -5.061 426 H GLY 56 H GLY 56 14.538 -6.520 -2.784 427 1HA GLY 56 1HA GLY 56 13.687 -7.609 -0.877 428 2HA GLY 56 2HA GLY 56 15.077 -6.862 -0.085 429 H ILE 57 H ILE 57 12.599 -4.913 -1.566 430 HA ILE 57 HA ILE 57 12.065 -3.618 1.004 431 HB ILE 57 HB ILE 57 12.186 -2.460 -1.286 432 1HG1 ILE 57 2HG1 ILE 57 11.298 -1.432 0.829 433 2HG1 ILE 57 1HG1 ILE 57 10.542 -0.799 -0.633 434 1HG2 ILE 57 1HG2 ILE 57 10.258 -2.505 -2.687 435 2HG2 ILE 57 2HG2 ILE 57 9.303 -3.350 -1.469 436 3HG2 ILE 57 3HG2 ILE 57 10.600 -4.194 -2.314 437 1HD1 ILE 57 1HD1 ILE 57 8.597 -1.267 0.449 438 2HD1 ILE 57 2HD1 ILE 57 9.366 -2.412 1.546 439 3HD1 ILE 57 3HD1 ILE 57 8.905 -2.919 -0.077 440 H ILE 58 H ILE 58 10.467 -4.195 2.383 441 HA ILE 58 HA ILE 58 8.410 -6.123 1.439 442 HB ILE 58 HB ILE 58 9.430 -6.772 3.523 443 1HG1 ILE 58 2HG1 ILE 58 7.521 -6.914 4.955 444 2HG1 ILE 58 1HG1 ILE 58 6.854 -5.403 4.335 445 1HG2 ILE 58 1HG2 ILE 58 8.894 -4.857 5.423 446 2HG2 ILE 58 2HG2 ILE 58 9.306 -3.870 4.021 447 3HG2 ILE 58 3HG2 ILE 58 10.452 -5.067 4.624 448 1HD1 ILE 58 1HD1 ILE 58 7.327 -7.712 2.465 449 2HD1 ILE 58 2HD1 ILE 58 6.188 -6.376 2.311 450 3HD1 ILE 58 3HD1 ILE 58 5.876 -7.672 3.466 451 H TRP 59 H TRP 59 6.886 -4.921 0.362 452 HA TRP 59 HA TRP 59 6.070 -2.340 0.569 453 1HB TRP 59 2HB TRP 59 4.313 -4.784 0.290 454 2HB TRP 59 1HB TRP 59 3.742 -3.136 0.021 455 HD1 TRP 59 HD1 TRP 59 4.701 -5.826 -2.003 456 HE1 TRP 59 HE1 TRP 59 5.900 -5.107 -4.169 457 HE3 TRP 59 HE3 TRP 59 5.950 -1.032 -0.767 458 HZ2 TRP 59 HZ2 TRP 59 7.213 -2.799 -5.232 459 HZ3 TRP 59 HZ3 TRP 59 7.175 0.402 -2.373 460 HH2 TRP 59 HH2 TRP 59 7.808 -0.475 -4.604 461 H GLY 60 H GLY 60 5.842 -1.173 2.391 462 1HA GLY 60 1HA GLY 60 3.948 -2.205 4.462 463 2HA GLY 60 2HA GLY 60 5.470 -1.450 4.935 464 H GLU 61 H GLU 61 4.241 0.215 6.051 465 HA GLU 61 HA GLU 61 2.450 1.940 4.503 466 1HB GLU 61 2HB GLU 61 1.930 1.651 6.840 467 2HB GLU 61 1HB GLU 61 3.562 2.128 7.315 468 1HG GLU 61 2HG GLU 61 2.985 4.302 7.300 469 2HG GLU 61 1HG GLU 61 2.394 4.172 5.643 470 H ASP 62 H ASP 62 5.492 2.578 6.295 471 HA ASP 62 HA ASP 62 5.937 5.075 4.936 472 1HB ASP 62 2HB ASP 62 8.109 5.068 6.041 473 2HB ASP 62 1HB ASP 62 6.885 4.514 7.183 474 H THR 63 H THR 63 7.026 1.759 4.409 475 HA THR 63 HA THR 63 9.008 2.357 2.436 476 HB THR 63 HB THR 63 7.942 -0.144 1.767 477 HG1 THR 63 HG1 THR 63 8.173 -0.307 4.493 478 1HG2 THR 63 1HG2 THR 63 10.020 -0.888 2.424 479 2HG2 THR 63 2HG2 THR 63 10.006 0.064 3.909 480 3HG2 THR 63 3HG2 THR 63 10.351 0.844 2.365 481 H LEU 64 H LEU 64 5.569 1.411 2.098 482 HA LEU 64 HA LEU 64 5.583 1.648 -0.778 483 1HB LEU 64 2HB LEU 64 3.851 0.568 0.996 484 2HB LEU 64 1HB LEU 64 3.040 2.104 0.686 485 HG LEU 64 HG LEU 64 4.017 0.256 -1.503 486 1HD1 LEU 64 1HD1 LEU 64 2.057 -0.454 0.187 487 2HD1 LEU 64 2HD1 LEU 64 1.979 -0.811 -1.538 488 3HD1 LEU 64 3HD1 LEU 64 1.119 0.584 -0.887 489 1HD2 LEU 64 1HD2 LEU 64 3.683 2.207 -2.640 490 2HD2 LEU 64 2HD2 LEU 64 2.699 2.901 -1.352 491 3HD2 LEU 64 3HD2 LEU 64 1.979 1.776 -2.503 492 H MET 65 H MET 65 4.961 3.891 1.866 493 HA MET 65 HA MET 65 3.737 5.975 0.373 494 1HB MET 65 2HB MET 65 3.828 6.025 2.822 495 2HB MET 65 1HB MET 65 5.587 6.149 2.772 496 1HG MET 65 2HG MET 65 4.237 8.176 1.135 497 2HG MET 65 1HG MET 65 3.848 8.294 2.851 498 1HE MET 65 1HE MET 65 5.008 10.693 1.947 499 2HE MET 65 2HE MET 65 5.774 10.016 0.512 500 3HE MET 65 3HE MET 65 6.751 10.870 1.703 501 H GLU 66 H GLU 66 7.104 5.029 0.777 502 HA GLU 66 HA GLU 66 8.160 7.369 -0.575 503 1HB GLU 66 2HB GLU 66 9.343 5.774 1.125 504 2HB GLU 66 1HB GLU 66 9.644 4.770 -0.292 505 1HG GLU 66 2HG GLU 66 10.938 6.437 -1.351 506 2HG GLU 66 1HG GLU 66 10.316 7.709 -0.298 507 H TYR 67 H TYR 67 7.892 3.908 -1.454 508 HA TYR 67 HA TYR 67 8.777 4.174 -4.132 509 1HB TYR 67 2HB TYR 67 8.507 1.979 -3.110 510 2HB TYR 67 1HB TYR 67 6.769 2.236 -2.943 511 HD1 TYR 67 HD1 TYR 67 5.483 1.096 -4.505 512 HD2 TYR 67 HD2 TYR 67 9.318 2.633 -5.679 513 HE1 TYR 67 HE1 TYR 67 5.128 0.233 -6.802 514 HE2 TYR 67 HE2 TYR 67 8.963 1.770 -7.974 515 HH TYR 67 HH TYR 67 6.386 -0.383 -8.750 516 H LEU 68 H LEU 68 5.871 5.285 -2.666 517 HA LEU 68 HA LEU 68 4.430 5.383 -5.249 518 1HB LEU 68 2HB LEU 68 3.594 5.177 -2.585 519 2HB LEU 68 1HB LEU 68 3.152 6.816 -3.067 520 HG LEU 68 HG LEU 68 2.189 5.754 -5.200 521 1HD1 LEU 68 1HD1 LEU 68 1.833 3.246 -3.645 522 2HD1 LEU 68 2HD1 LEU 68 3.429 3.507 -4.349 523 3HD1 LEU 68 3HD1 LEU 68 2.002 3.477 -5.386 524 1HD2 LEU 68 1HD2 LEU 68 1.099 6.266 -2.688 525 2HD2 LEU 68 2HD2 LEU 68 0.529 4.640 -3.064 526 3HD2 LEU 68 3HD2 LEU 68 0.186 5.972 -4.168 527 H GLU 69 H GLU 69 5.878 7.604 -2.875 528 HA GLU 69 HA GLU 69 5.098 10.037 -4.119 529 1HB GLU 69 2HB GLU 69 6.444 9.465 -1.890 530 2HB GLU 69 1HB GLU 69 7.826 9.749 -2.936 531 1HG GLU 69 2HG GLU 69 5.808 11.798 -3.326 532 2HG GLU 69 1HG GLU 69 6.284 11.703 -1.631 533 H ASN 70 H ASN 70 7.337 7.573 -4.948 534 HA ASN 70 HA ASN 70 7.793 8.597 -7.595 535 1HB ASN 70 2HB ASN 70 10.291 8.912 -7.313 536 2HB ASN 70 1HB ASN 70 9.309 10.163 -6.549 537 1HD2 ASN 70 1HD2 ASN 70 11.585 10.224 -5.304 538 2HD2 ASN 70 2HD2 ASN 70 11.645 9.293 -3.887 539 HA PRO 71 HA PRO 71 8.381 4.134 -7.070 540 1HB PRO 71 2HB PRO 71 7.273 3.512 -9.516 541 2HB PRO 71 1HB PRO 71 6.332 3.723 -8.031 542 1HG PRO 71 2HG PRO 71 6.611 5.572 -10.354 543 2HG PRO 71 1HG PRO 71 5.272 5.404 -9.207 544 1HD PRO 71 2HD PRO 71 7.219 7.444 -9.156 545 2HD PRO 71 1HD PRO 71 6.124 7.026 -7.821 546 H LYS 72 H LYS 72 9.068 6.059 -9.999 547 HA LYS 72 HA LYS 72 11.028 4.214 -11.019 548 1HB LYS 72 2HB LYS 72 9.904 5.953 -12.420 549 2HB LYS 72 1HB LYS 72 10.804 7.192 -11.544 550 1HG LYS 72 2HG LYS 72 11.928 6.603 -13.669 551 2HG LYS 72 1HG LYS 72 12.927 6.183 -12.278 552 1HD LYS 72 2HD LYS 72 12.955 4.025 -12.908 553 2HD LYS 72 1HD LYS 72 11.192 3.974 -12.882 554 1HE LYS 72 2HE LYS 72 11.358 5.197 -15.179 555 2HE LYS 72 1HE LYS 72 13.023 4.617 -15.184 556 1HZ LYS 72 1HZ LYS 72 11.118 3.173 -16.182 557 2HZ LYS 72 2HZ LYS 72 10.859 2.732 -14.561 558 3HZ LYS 72 3HZ LYS 72 12.366 2.444 -15.294 559 H LYS 73 H LYS 73 11.026 6.273 -8.347 560 HA LYS 73 HA LYS 73 13.918 6.847 -8.411 561 1HB LYS 73 2HB LYS 73 12.559 8.587 -7.470 562 2HB LYS 73 1HB LYS 73 11.713 7.447 -6.426 563 1HG LYS 73 2HG LYS 73 13.226 7.892 -4.822 564 2HG LYS 73 1HG LYS 73 14.452 7.128 -5.832 565 1HD LYS 73 2HD LYS 73 13.935 9.765 -6.841 566 2HD LYS 73 1HD LYS 73 14.265 9.867 -5.111 567 1HE LYS 73 2HE LYS 73 16.039 8.045 -6.625 568 2HE LYS 73 1HE LYS 73 16.213 9.757 -7.011 569 1HZ LYS 73 1HZ LYS 73 17.660 9.278 -5.216 570 2HZ LYS 73 2HZ LYS 73 16.440 8.478 -4.346 571 3HZ LYS 73 3HZ LYS 73 16.362 10.160 -4.572 572 H TYR 74 H TYR 74 11.680 5.076 -6.230 573 HA TYR 74 HA TYR 74 13.828 3.812 -4.769 574 1HB TYR 74 2HB TYR 74 11.284 4.122 -4.152 575 2HB TYR 74 1HB TYR 74 11.088 2.595 -5.009 576 HD1 TYR 74 HD1 TYR 74 10.424 2.716 -2.163 577 HD2 TYR 74 HD2 TYR 74 14.224 2.058 -4.057 578 HE1 TYR 74 HE1 TYR 74 11.209 1.486 -0.160 579 HE2 TYR 74 HE2 TYR 74 15.010 0.827 -2.051 580 HH TYR 74 HH TYR 74 13.262 0.850 0.916 581 H ILE 75 H ILE 75 11.424 2.339 -6.966 582 HA ILE 75 HA ILE 75 13.347 0.198 -7.596 583 HB ILE 75 HB ILE 75 10.532 0.355 -8.620 584 1HG1 ILE 75 2HG1 ILE 75 10.420 0.981 -6.223 585 2HG1 ILE 75 1HG1 ILE 75 9.732 -0.615 -6.498 586 1HG2 ILE 75 1HG2 ILE 75 12.245 -1.899 -7.560 587 2HG2 ILE 75 2HG2 ILE 75 12.085 -1.469 -9.263 588 3HG2 ILE 75 3HG2 ILE 75 10.684 -2.057 -8.367 589 1HD1 ILE 75 1HD1 ILE 75 11.115 -0.988 -4.649 590 2HD1 ILE 75 2HD1 ILE 75 12.357 0.118 -5.237 591 3HD1 ILE 75 3HD1 ILE 75 12.154 -1.463 -5.994 592 HA PRO 76 HA PRO 76 13.925 2.627 -11.370 593 1HB PRO 76 2HB PRO 76 16.316 1.433 -12.012 594 2HB PRO 76 1HB PRO 76 16.175 2.787 -10.878 595 1HG PRO 76 2HG PRO 76 16.655 -0.102 -10.301 596 2HG PRO 76 1HG PRO 76 17.127 1.323 -9.360 597 1HD PRO 76 2HD PRO 76 14.940 -0.377 -8.794 598 2HD PRO 76 1HD PRO 76 15.219 1.230 -8.094 599 H GLY 77 H GLY 77 12.022 1.181 -12.043 600 1HA GLY 77 2HA GLY 77 12.516 -0.178 -14.440 601 2HA GLY 77 1HA GLY 77 12.538 -1.417 -13.187 602 H THR 78 H THR 78 10.507 0.288 -11.620 603 HA THR 78 HA THR 78 8.165 -1.035 -12.043 604 HB THR 78 HB THR 78 8.534 0.857 -10.391 605 HG1 THR 78 HG1 THR 78 6.447 -0.155 -11.041 606 1HG2 THR 78 1HG2 THR 78 8.225 3.095 -11.055 607 2HG2 THR 78 2HG2 THR 78 7.474 2.635 -12.581 608 3HG2 THR 78 3HG2 THR 78 9.211 2.424 -12.354 609 H LYS 79 H LYS 79 6.265 -0.731 -13.323 610 HA LYS 79 HA LYS 79 6.835 0.511 -15.974 611 1HB LYS 79 2HB LYS 79 5.785 -2.002 -15.268 612 2HB LYS 79 1HB LYS 79 4.402 -1.072 -15.846 613 1HG LYS 79 2HG LYS 79 6.988 -1.066 -17.389 614 2HG LYS 79 1HG LYS 79 5.831 -2.382 -17.588 615 1HD LYS 79 2HD LYS 79 4.610 0.294 -17.660 616 2HD LYS 79 1HD LYS 79 5.747 -0.008 -18.974 617 1HE LYS 79 2HE LYS 79 4.488 -1.747 -19.850 618 2HE LYS 79 1HE LYS 79 3.760 -2.141 -18.293 619 1HZ LYS 79 1HZ LYS 79 3.011 -0.076 -20.229 620 2HZ LYS 79 2HZ LYS 79 2.764 0.249 -18.580 621 3HZ LYS 79 3HZ LYS 79 2.025 -1.099 -19.302 622 H MET 80 H MET 80 5.670 1.585 -13.234 623 HA MET 80 HA MET 80 3.254 2.830 -14.473 624 1HB MET 80 2HB MET 80 2.268 3.001 -12.300 625 2HB MET 80 1HB MET 80 2.936 1.389 -12.428 626 1HG MET 80 2HG MET 80 4.849 1.964 -11.124 627 2HG MET 80 1HG MET 80 4.392 3.656 -11.121 628 1HE MET 80 1HE MET 80 3.302 4.180 -8.063 629 2HE MET 80 2HE MET 80 1.886 4.421 -9.081 630 3HE MET 80 3HE MET 80 3.494 4.724 -9.734 631 H ILE 81 H ILE 81 3.441 4.917 -14.955 632 HA ILE 81 HA ILE 81 5.710 6.474 -13.851 633 HB ILE 81 HB ILE 81 3.710 7.272 -15.987 634 1HG1 ILE 81 2HG1 ILE 81 6.473 6.065 -16.331 635 2HG1 ILE 81 1HG1 ILE 81 4.966 5.173 -16.547 636 1HG2 ILE 81 1HG2 ILE 81 4.763 9.255 -15.574 637 2HG2 ILE 81 2HG2 ILE 81 6.067 8.542 -16.524 638 3HG2 ILE 81 3HG2 ILE 81 6.121 8.477 -14.762 639 1HD1 ILE 81 1HD1 ILE 81 4.555 7.431 -18.087 640 2HD1 ILE 81 2HD1 ILE 81 5.064 5.860 -18.704 641 3HD1 ILE 81 3HD1 ILE 81 6.267 7.096 -18.342 642 H PHE 82 H PHE 82 3.717 5.906 -11.999 643 HA PHE 82 HA PHE 82 1.636 7.821 -11.770 644 1HB PHE 82 2HB PHE 82 1.947 5.722 -10.411 645 2HB PHE 82 1HB PHE 82 3.183 6.572 -9.487 646 HD1 PHE 82 HD1 PHE 82 2.367 7.194 -7.405 647 HD2 PHE 82 HD2 PHE 82 -0.177 7.551 -10.847 648 HE1 PHE 82 HE1 PHE 82 0.596 8.194 -5.990 649 HE2 PHE 82 HE2 PHE 82 -1.949 8.554 -9.431 650 HZ PHE 82 HZ PHE 82 -1.558 8.868 -7.004 651 H VAL 83 H VAL 83 1.546 9.826 -10.698 652 HA VAL 83 HA VAL 83 4.155 11.227 -10.520 653 HB VAL 83 HB VAL 83 2.493 12.400 -11.804 654 1HG1 VAL 83 1HG1 VAL 83 0.459 11.374 -11.120 655 2HG1 VAL 83 2HG1 VAL 83 0.313 13.057 -10.611 656 3HG1 VAL 83 3HG1 VAL 83 0.716 11.810 -9.431 657 1HG2 VAL 83 1HG2 VAL 83 2.428 13.691 -9.065 658 2HG2 VAL 83 2HG2 VAL 83 2.399 14.490 -10.638 659 3HG2 VAL 83 3HG2 VAL 83 3.871 13.694 -10.079 660 H GLY 84 H GLY 84 1.592 10.010 -8.499 661 1HA GLY 84 2HA GLY 84 2.284 9.591 -6.121 662 2HA GLY 84 1HA GLY 84 2.975 11.214 -6.133 663 H ILE 85 H ILE 85 1.413 11.272 -4.172 664 HA ILE 85 HA ILE 85 -1.371 11.877 -5.062 665 HB ILE 85 HB ILE 85 -0.200 11.240 -2.341 666 1HG1 ILE 85 2HG1 ILE 85 -2.393 9.612 -2.905 667 2HG1 ILE 85 1HG1 ILE 85 -1.559 9.746 -4.453 668 1HG2 ILE 85 1HG2 ILE 85 -3.041 12.016 -3.071 669 2HG2 ILE 85 2HG2 ILE 85 -1.914 13.013 -2.151 670 3HG2 ILE 85 3HG2 ILE 85 -2.495 11.489 -1.479 671 1HD1 ILE 85 1HD1 ILE 85 -0.178 8.132 -3.671 672 2HD1 ILE 85 2HD1 ILE 85 -0.734 8.348 -2.012 673 3HD1 ILE 85 3HD1 ILE 85 0.525 9.398 -2.664 674 H LYS 86 H LYS 86 -2.088 13.970 -4.987 675 HA LYS 86 HA LYS 86 -0.177 16.067 -4.247 676 1HB LYS 86 2HB LYS 86 -3.043 16.204 -5.234 677 2HB LYS 86 1HB LYS 86 -1.999 17.606 -4.995 678 1HG LYS 86 2HG LYS 86 -1.482 15.293 -6.889 679 2HG LYS 86 1HG LYS 86 -1.946 16.932 -7.348 680 1HD LYS 86 2HD LYS 86 0.245 17.383 -5.743 681 2HD LYS 86 1HD LYS 86 0.688 15.885 -6.563 682 1HE LYS 86 2HE LYS 86 -0.541 17.882 -8.338 683 2HE LYS 86 1HE LYS 86 0.986 18.407 -7.631 684 1HZ LYS 86 1HZ LYS 86 1.664 17.269 -9.496 685 2HZ LYS 86 2HZ LYS 86 0.442 16.094 -9.370 686 3HZ LYS 86 3HZ LYS 86 1.770 16.060 -8.310 687 H LYS 87 H LYS 87 -3.294 14.844 -3.051 688 HA LYS 87 HA LYS 87 -3.157 16.706 -0.753 689 1HB LYS 87 2HB LYS 87 -5.271 15.640 -2.197 690 2HB LYS 87 1HB LYS 87 -5.283 14.693 -0.710 691 1HG LYS 87 2HG LYS 87 -6.410 16.440 0.189 692 2HG LYS 87 1HG LYS 87 -4.846 17.253 0.224 693 1HD LYS 87 2HD LYS 87 -5.266 18.212 -1.995 694 2HD LYS 87 1HD LYS 87 -6.810 17.364 -2.084 695 1HE LYS 87 2HE LYS 87 -7.827 18.762 -0.561 696 2HE LYS 87 1HE LYS 87 -6.325 19.083 0.306 697 1HZ LYS 87 1HZ LYS 87 -5.627 20.584 -1.328 698 2HZ LYS 87 2HZ LYS 87 -7.265 20.957 -1.080 699 3HZ LYS 87 3HZ LYS 87 -6.792 20.064 -2.445 700 H LYS 88 H LYS 88 -2.204 16.075 1.116 701 HA LYS 88 HA LYS 88 -0.976 13.556 1.494 702 1HB LYS 88 2HB LYS 88 -1.972 15.384 3.697 703 2HB LYS 88 1HB LYS 88 -0.639 14.232 3.790 704 1HG LYS 88 2HG LYS 88 -0.767 16.779 2.160 705 2HG LYS 88 1HG LYS 88 0.362 16.384 3.457 706 1HD LYS 88 2HD LYS 88 1.270 14.531 2.066 707 2HD LYS 88 1HD LYS 88 0.189 15.013 0.758 708 1HE LYS 88 2HE LYS 88 1.381 16.932 0.289 709 2HE LYS 88 1HE LYS 88 1.939 17.119 1.952 710 1HZ LYS 88 1HZ LYS 88 3.510 15.392 1.663 711 2HZ LYS 88 2HZ LYS 88 3.675 16.420 0.320 712 3HZ LYS 88 3HZ LYS 88 2.857 14.940 0.164 713 H GLU 89 H GLU 89 -4.008 14.747 2.999 714 HA GLU 89 HA GLU 89 -4.768 12.435 4.355 715 1HB GLU 89 2HB GLU 89 -7.182 13.177 3.627 716 2HB GLU 89 1HB GLU 89 -6.228 14.229 4.672 717 1HG GLU 89 2HG GLU 89 -5.890 15.791 3.024 718 2HG GLU 89 1HG GLU 89 -5.852 14.580 1.741 719 H GLU 90 H GLU 90 -4.678 12.971 0.911 720 HA GLU 90 HA GLU 90 -6.411 10.748 0.216 721 1HB GLU 90 2HB GLU 90 -5.116 12.847 -1.163 722 2HB GLU 90 1HB GLU 90 -4.475 11.349 -1.840 723 1HG GLU 90 2HG GLU 90 -7.093 10.694 -1.697 724 2HG GLU 90 1HG GLU 90 -7.238 12.437 -1.929 725 H ARG 91 H ARG 91 -2.866 11.189 0.332 726 HA ARG 91 HA ARG 91 -2.163 8.570 -0.518 727 1HB ARG 91 2HB ARG 91 -0.588 10.532 -0.178 728 2HB ARG 91 1HB ARG 91 -0.677 10.209 1.554 729 1HG ARG 91 2HG ARG 91 -0.054 7.762 0.870 730 2HG ARG 91 1HG ARG 91 0.518 8.511 -0.622 731 1HD ARG 91 2HD ARG 91 2.443 8.653 0.655 732 2HD ARG 91 1HD ARG 91 1.685 10.188 1.079 733 HE ARG 91 HE ARG 91 1.666 9.355 3.273 734 1HH1 ARG 91 1HH1 ARG 91 2.150 6.728 1.192 735 2HH1 ARG 91 2HH1 ARG 91 1.527 5.538 2.285 736 1HH2 ARG 91 1HH2 ARG 91 0.436 7.864 4.613 737 2HH2 ARG 91 2HH2 ARG 91 0.554 6.182 4.220 738 H ALA 92 H ALA 92 -2.553 9.845 2.797 739 HA ALA 92 HA ALA 92 -2.189 7.381 4.156 740 1HB ALA 92 1HB ALA 92 -2.225 9.441 5.416 741 2HB ALA 92 2HB ALA 92 -3.594 8.473 5.962 742 3HB ALA 92 3HB ALA 92 -3.853 9.818 4.851 743 H ASP 93 H ASP 93 -5.035 8.825 2.643 744 HA ASP 93 HA ASP 93 -6.955 6.945 3.602 745 1HB ASP 93 2HB ASP 93 -6.865 9.107 1.693 746 2HB ASP 93 1HB ASP 93 -7.725 7.732 1.000 747 H LEU 94 H LEU 94 -4.637 6.833 0.954 748 HA LEU 94 HA LEU 94 -5.771 4.607 -0.450 749 1HB LEU 94 2HB LEU 94 -2.925 5.621 -0.222 750 2HB LEU 94 1HB LEU 94 -3.393 4.296 -1.287 751 HG LEU 94 HG LEU 94 -4.330 7.171 -1.393 752 1HD1 LEU 94 1HD1 LEU 94 -2.317 6.924 -2.606 753 2HD1 LEU 94 2HD1 LEU 94 -3.570 6.750 -3.833 754 3HD1 LEU 94 3HD1 LEU 94 -2.764 5.320 -3.188 755 1HD2 LEU 94 1HD2 LEU 94 -5.600 6.122 -3.473 756 2HD2 LEU 94 2HD2 LEU 94 -6.336 6.097 -1.871 757 3HD2 LEU 94 3HD2 LEU 94 -5.536 4.656 -2.495 758 H ILE 95 H ILE 95 -3.063 4.695 1.900 759 HA ILE 95 HA ILE 95 -2.854 1.843 2.124 760 HB ILE 95 HB ILE 95 -2.226 3.746 4.383 761 1HG1 ILE 95 2HG1 ILE 95 -1.288 4.894 2.521 762 2HG1 ILE 95 1HG1 ILE 95 0.046 3.959 3.199 763 1HG2 ILE 95 1HG2 ILE 95 -1.942 1.081 4.238 764 2HG2 ILE 95 2HG2 ILE 95 -0.780 2.099 5.089 765 3HG2 ILE 95 3HG2 ILE 95 -0.435 1.551 3.449 766 1HD1 ILE 95 1HD1 ILE 95 -1.668 3.165 0.830 767 2HD1 ILE 95 2HD1 ILE 95 -0.397 2.167 1.537 768 3HD1 ILE 95 3HD1 ILE 95 0.011 3.701 0.768 769 H ALA 96 H ALA 96 -4.879 4.211 3.691 770 HA ALA 96 HA ALA 96 -5.794 2.674 5.893 771 1HB ALA 96 1HB ALA 96 -7.332 4.360 6.219 772 2HB ALA 96 2HB ALA 96 -7.703 4.497 4.500 773 3HB ALA 96 3HB ALA 96 -6.217 5.197 5.139 774 H TYR 97 H TYR 97 -7.190 2.980 2.607 775 HA TYR 97 HA TYR 97 -9.384 1.225 3.102 776 1HB TYR 97 2HB TYR 97 -9.485 2.654 1.179 777 2HB TYR 97 1HB TYR 97 -7.970 2.009 0.546 778 HD1 TYR 97 HD1 TYR 97 -8.163 0.486 -1.194 779 HD2 TYR 97 HD2 TYR 97 -11.257 0.661 1.780 780 HE1 TYR 97 HE1 TYR 97 -9.406 -1.300 -2.382 781 HE2 TYR 97 HE2 TYR 97 -12.503 -1.124 0.590 782 HH TYR 97 HH TYR 97 -11.349 -3.167 -1.377 783 H LEU 98 H LEU 98 -6.207 0.594 1.574 784 HA LEU 98 HA LEU 98 -6.699 -2.210 1.215 785 1HB LEU 98 2HB LEU 98 -4.305 -0.429 1.140 786 2HB LEU 98 1HB LEU 98 -4.024 -2.162 1.315 787 HG LEU 98 HG LEU 98 -4.042 -1.612 -1.053 788 1HD1 LEU 98 1HD1 LEU 98 -5.488 -3.300 -1.744 789 2HD1 LEU 98 2HD1 LEU 98 -6.764 -2.801 -0.631 790 3HD1 LEU 98 3HD1 LEU 98 -5.350 -3.662 -0.023 791 1HD2 LEU 98 1HD2 LEU 98 -6.328 -0.765 -1.969 792 2HD2 LEU 98 2HD2 LEU 98 -5.248 0.408 -1.212 793 3HD2 LEU 98 3HD2 LEU 98 -6.621 -0.235 -0.312 794 H LYS 99 H LYS 99 -5.976 -0.357 4.012 795 HA LYS 99 HA LYS 99 -4.681 -2.494 5.483 796 1HB LYS 99 2HB LYS 99 -4.798 0.186 5.856 797 2HB LYS 99 1HB LYS 99 -6.053 -0.332 6.980 798 1HG LYS 99 2HG LYS 99 -3.667 -2.013 7.133 799 2HG LYS 99 1HG LYS 99 -3.318 -0.322 7.489 800 1HD LYS 99 2HD LYS 99 -5.547 -0.544 8.937 801 2HD LYS 99 1HD LYS 99 -5.078 -2.244 8.953 802 1HE LYS 99 2HE LYS 99 -3.438 -1.843 10.444 803 2HE LYS 99 1HE LYS 99 -2.776 -0.554 9.439 804 1HZ LYS 99 1HZ LYS 99 -3.456 0.761 11.097 805 2HZ LYS 99 2HZ LYS 99 -4.531 -0.395 11.726 806 3HZ LYS 99 3HZ LYS 99 -5.000 0.585 10.419 807 H LYS 100 H LYS 100 -7.925 -1.003 5.607 808 HA LYS 100 HA LYS 100 -8.945 -2.999 7.455 809 1HB LYS 100 2HB LYS 100 -9.773 -0.518 6.756 810 2HB LYS 100 1HB LYS 100 -10.839 -1.487 5.739 811 1HG LYS 100 2HG LYS 100 -11.871 -2.511 7.558 812 2HG LYS 100 1HG LYS 100 -10.495 -2.234 8.625 813 1HD LYS 100 2HD LYS 100 -11.716 -0.499 9.432 814 2HD LYS 100 1HD LYS 100 -11.228 0.334 7.956 815 1HE LYS 100 2HE LYS 100 -13.437 0.509 7.500 816 2HE LYS 100 1HE LYS 100 -13.375 -1.214 7.125 817 1HZ LYS 100 1HZ LYS 100 -14.699 0.077 9.248 818 2HZ LYS 100 2HZ LYS 100 -13.530 -0.976 9.890 819 3HZ LYS 100 3HZ LYS 100 -14.720 -1.566 8.830 820 H ALA 101 H ALA 101 -8.607 -2.782 4.012 821 HA ALA 101 HA ALA 101 -10.649 -4.758 3.414 822 1HB ALA 101 1HB ALA 101 -10.387 -3.649 1.461 823 2HB ALA 101 2HB ALA 101 -8.982 -4.685 1.214 824 3HB ALA 101 3HB ALA 101 -8.780 -3.076 1.908 825 H THR 102 H THR 102 -7.059 -4.814 3.192 826 HA THR 102 HA THR 102 -7.254 -7.788 3.399 827 HB THR 102 HB THR 102 -6.156 -6.630 1.354 828 HG1 THR 102 HG1 THR 102 -4.429 -8.417 2.652 829 1HG2 THR 102 1HG2 THR 102 -3.630 -6.604 2.898 830 2HG2 THR 102 2HG2 THR 102 -4.736 -5.271 3.223 831 3HG2 THR 102 3HG2 THR 102 -4.159 -5.555 1.583 832 H ASN 103 H ASN 103 -5.698 -4.934 4.780 833 HA ASN 103 HA ASN 103 -4.002 -6.528 6.532 834 1HB ASN 103 2HB ASN 103 -3.573 -4.120 5.627 835 2HB ASN 103 1HB ASN 103 -4.605 -3.617 6.965 836 1HD2 ASN 103 1HD2 ASN 103 -3.721 -3.680 9.087 837 2HD2 ASN 103 2HD2 ASN 103 -2.138 -4.193 9.424 838 H GLU 104 HN GLU 104 -7.204 -6.260 6.544 839 HA GLU 104 HA GLU 104 -7.385 -6.760 9.422 840 1HB GLU 104 2HB GLU 104 -7.649 -4.124 8.653 841 2HB GLU 104 1HB GLU 104 -9.322 -4.683 8.657 842 1HG GLU 104 2HG GLU 104 -8.433 -5.800 10.971 843 2HG GLU 104 1HG GLU 104 -7.441 -4.343 10.920 844 HHA HEC 105 HHA HEC 105 4.269 -2.438 -8.935 845 HHB HEC 105 HHB HEC 105 1.162 1.344 -4.963 846 HHC HEC 105 HHC HEC 105 -1.699 4.160 -9.853 847 HHD HEC 105 HHD HEC 105 1.078 0.080 -13.804 848 1HMA HEC 105 1HMA HEC 105 2.037 -0.270 -3.832 849 2HMA HEC 105 2HMA HEC 105 3.762 0.072 -3.954 850 3HMA HEC 105 3HMA HEC 105 3.193 -1.598 -3.919 851 1HAA HEC 105 1HAA HEC 105 4.859 -2.300 -5.267 852 2HAA HEC 105 2HAA HEC 105 5.340 -2.407 -6.948 853 1HBA HEC 105 1HBA HEC 105 2.883 -3.791 -6.741 854 2HBA HEC 105 2HBA HEC 105 3.858 -4.303 -5.364 855 1HMB HEC 105 1HMB HEC 105 -1.648 2.855 -4.497 856 2HMB HEC 105 2HMB HEC 105 -0.760 4.374 -4.614 857 3HMB HEC 105 3HMB HEC 105 0.092 2.883 -4.211 858 HAB HEC 105 HAB HEC 105 -2.189 5.241 -8.172 859 1HBB HEC 105 1HBB HEC 105 -1.927 5.675 -5.260 860 2HBB HEC 105 2HBB HEC 105 -2.123 6.832 -6.575 861 3HBB HEC 105 3HBB HEC 105 -0.567 6.043 -6.321 862 1HMC HEC 105 1HMC HEC 105 -2.784 3.666 -13.253 863 2HMC HEC 105 2HMC HEC 105 -2.531 4.432 -11.684 864 3HMC HEC 105 3HMC HEC 105 -1.515 4.875 -13.055 865 HAC HEC 105 HAC HEC 105 0.187 1.615 -14.983 866 1HBC HEC 105 1HBC HEC 105 -0.892 3.233 -16.259 867 2HBC HEC 105 2HBC HEC 105 -0.222 4.066 -14.857 868 3HBC HEC 105 3HBC HEC 105 -1.946 3.702 -14.926 869 1HMD HEC 105 1HMD HEC 105 3.008 -1.019 -14.567 870 2HMD HEC 105 2HMD HEC 105 3.816 -2.519 -14.116 871 3HMD HEC 105 3HMD HEC 105 2.060 -2.478 -14.277 872 1HAD HEC 105 1HAD HEC 105 4.274 -3.781 -12.499 873 2HAD HEC 105 2HAD HEC 105 5.463 -2.823 -11.638 874 1HBD HEC 105 1HBD HEC 105 3.522 -3.869 -9.795 875 2HBD HEC 105 2HBD HEC 105 5.267 -4.106 -9.818 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 -11.414 7.254 11.395 2 2H GLY 1 2HT GLY 1 -10.245 6.041 11.172 3 3H GLY 1 3HT GLY 1 -11.888 5.699 10.911 4 1HA GLY 1 1HA GLY 1 -10.762 7.877 9.342 5 2HA GLY 1 2HA GLY 1 -10.213 6.249 8.942 6 H ASP 2 H ASP 2 -11.426 6.648 6.888 7 HA ASP 2 HA ASP 2 -14.268 5.821 7.229 8 1HB ASP 2 2HB ASP 2 -13.235 8.282 5.911 9 2HB ASP 2 1HB ASP 2 -14.514 7.414 5.062 10 H VAL 3 H VAL 3 -14.992 4.428 5.586 11 HA VAL 3 HA VAL 3 -12.845 3.317 3.872 12 HB VAL 3 HB VAL 3 -14.270 1.793 5.246 13 1HG1 VAL 3 1HG1 VAL 3 -16.422 2.984 3.485 14 2HG1 VAL 3 2HG1 VAL 3 -16.378 2.912 5.247 15 3HG1 VAL 3 3HG1 VAL 3 -16.627 1.439 4.310 16 1HG2 VAL 3 1HG2 VAL 3 -13.394 1.461 2.666 17 2HG2 VAL 3 2HG2 VAL 3 -15.110 1.082 2.507 18 3HG2 VAL 3 3HG2 VAL 3 -14.109 0.180 3.645 19 H GLU 4 H GLU 4 -15.631 5.342 3.667 20 HA GLU 4 HA GLU 4 -16.114 4.865 0.821 21 1HB GLU 4 2HB GLU 4 -17.718 5.812 2.734 22 2HB GLU 4 1HB GLU 4 -17.061 7.352 2.182 23 1HG GLU 4 2HG GLU 4 -17.950 5.436 0.082 24 2HG GLU 4 1HG GLU 4 -19.210 6.227 1.029 25 H LYS 5 H LYS 5 -13.804 6.587 2.595 26 HA LYS 5 HA LYS 5 -13.424 8.626 0.472 27 1HB LYS 5 2HB LYS 5 -11.966 8.228 3.103 28 2HB LYS 5 1HB LYS 5 -11.748 9.589 2.001 29 1HG LYS 5 2HG LYS 5 -14.491 9.524 2.356 30 2HG LYS 5 1HG LYS 5 -13.878 9.098 3.955 31 1HD LYS 5 2HD LYS 5 -13.623 11.331 4.249 32 2HD LYS 5 1HD LYS 5 -12.202 11.155 3.220 33 1HE LYS 5 2HE LYS 5 -13.168 12.337 1.565 34 2HE LYS 5 1HE LYS 5 -14.612 11.325 1.616 35 1HZ LYS 5 1HZ LYS 5 -14.983 12.716 3.817 36 2HZ LYS 5 2HZ LYS 5 -15.514 13.268 2.300 37 3HZ LYS 5 3HZ LYS 5 -14.064 13.855 2.961 38 H GLY 6 H GLY 6 -11.534 6.083 2.143 39 1HA GLY 6 1HA GLY 6 -9.344 6.282 0.242 40 2HA GLY 6 2HA GLY 6 -9.537 5.026 1.464 41 H LYS 7 H LYS 7 -12.231 4.270 0.556 42 HA LYS 7 HA LYS 7 -11.464 2.349 -1.455 43 1HB LYS 7 2HB LYS 7 -13.230 1.822 0.149 44 2HB LYS 7 1HB LYS 7 -14.204 3.169 -0.443 45 1HG LYS 7 2HG LYS 7 -15.113 1.762 -1.949 46 2HG LYS 7 1HG LYS 7 -13.535 1.667 -2.730 47 1HD LYS 7 2HD LYS 7 -12.999 -0.343 -1.720 48 2HD LYS 7 1HD LYS 7 -14.003 -0.020 -0.307 49 1HE LYS 7 2HE LYS 7 -15.803 -1.020 -1.238 50 2HE LYS 7 1HE LYS 7 -15.574 -0.167 -2.766 51 1HZ LYS 7 1HZ LYS 7 -14.175 -1.792 -3.565 52 2HZ LYS 7 2HZ LYS 7 -15.293 -2.717 -2.683 53 3HZ LYS 7 3HZ LYS 7 -13.767 -2.370 -2.024 54 H LYS 8 H LYS 8 -13.186 5.442 -1.546 55 HA LYS 8 HA LYS 8 -13.890 5.194 -4.359 56 1HB LYS 8 2HB LYS 8 -14.276 7.142 -2.204 57 2HB LYS 8 1HB LYS 8 -13.942 7.901 -3.761 58 1HG LYS 8 2HG LYS 8 -15.699 6.161 -4.663 59 2HG LYS 8 1HG LYS 8 -16.226 6.116 -2.980 60 1HD LYS 8 2HD LYS 8 -17.526 7.873 -3.714 61 2HD LYS 8 1HD LYS 8 -16.077 8.772 -3.262 62 1HE LYS 8 2HE LYS 8 -15.352 8.178 -5.750 63 2HE LYS 8 1HE LYS 8 -17.097 8.065 -5.983 64 1HZ LYS 8 1HZ LYS 8 -15.816 10.390 -4.672 65 2HZ LYS 8 2HZ LYS 8 -17.393 10.274 -5.294 66 3HZ LYS 8 3HZ LYS 8 -16.062 10.317 -6.349 67 H ILE 9 H ILE 9 -11.218 6.540 -2.507 68 HA ILE 9 HA ILE 9 -10.040 8.031 -4.671 69 HB ILE 9 HB ILE 9 -8.807 6.829 -2.175 70 1HG1 ILE 9 2HG1 ILE 9 -9.321 9.745 -2.720 71 2HG1 ILE 9 1HG1 ILE 9 -10.626 8.717 -2.127 72 1HG2 ILE 9 1HG2 ILE 9 -7.575 7.959 -4.514 73 2HG2 ILE 9 2HG2 ILE 9 -6.803 7.379 -3.037 74 3HG2 ILE 9 3HG2 ILE 9 -7.339 9.056 -3.154 75 1HD1 ILE 9 1HD1 ILE 9 -9.760 9.328 -0.090 76 2HD1 ILE 9 2HD1 ILE 9 -8.150 9.620 -0.748 77 3HD1 ILE 9 3HD1 ILE 9 -8.682 7.971 -0.416 78 H PHE 10 H PHE 10 -8.970 4.915 -3.228 79 HA PHE 10 HA PHE 10 -7.144 4.245 -5.272 80 1HB PHE 10 2HB PHE 10 -7.397 2.998 -3.113 81 2HB PHE 10 1HB PHE 10 -8.885 2.287 -3.743 82 HD1 PHE 10 HD1 PHE 10 -8.683 1.178 -6.136 83 HD2 PHE 10 HD2 PHE 10 -5.377 1.891 -3.490 84 HE1 PHE 10 HE1 PHE 10 -7.355 -0.537 -7.337 85 HE2 PHE 10 HE2 PHE 10 -4.048 0.174 -4.689 86 HZ PHE 10 HZ PHE 10 -5.037 -1.040 -6.612 87 H ILE 11 H ILE 11 -10.646 3.700 -5.090 88 HA ILE 11 HA ILE 11 -10.927 2.086 -7.403 89 HB ILE 11 HB ILE 11 -12.722 4.048 -5.986 90 1HG1 ILE 11 2HG1 ILE 11 -12.360 1.759 -5.086 91 2HG1 ILE 11 1HG1 ILE 11 -14.034 2.013 -5.581 92 1HG2 ILE 11 1HG2 ILE 11 -13.596 4.456 -8.096 93 2HG2 ILE 11 2HG2 ILE 11 -14.495 3.002 -7.662 94 3HG2 ILE 11 3HG2 ILE 11 -13.092 2.887 -8.723 95 1HD1 ILE 11 1HD1 ILE 11 -13.738 0.057 -6.712 96 2HD1 ILE 11 2HD1 ILE 11 -11.982 0.216 -6.729 97 3HD1 ILE 11 3HD1 ILE 11 -12.958 1.091 -7.909 98 H MET 12 H MET 12 -10.641 5.600 -7.028 99 HA MET 12 HA MET 12 -10.618 5.855 -10.003 100 1HB MET 12 2HB MET 12 -11.161 8.173 -9.703 101 2HB MET 12 1HB MET 12 -12.227 7.263 -8.633 102 1HG MET 12 2HG MET 12 -10.434 7.630 -6.820 103 2HG MET 12 1HG MET 12 -9.761 8.848 -7.905 104 1HE MET 12 1HE MET 12 -9.814 10.688 -7.076 105 2HE MET 12 2HE MET 12 -11.071 11.614 -6.258 106 3HE MET 12 3HE MET 12 -11.051 11.533 -8.018 107 H LYS 13 H LYS 13 -8.403 5.228 -7.775 108 HA LYS 13 HA LYS 13 -6.439 7.240 -8.795 109 1HB LYS 13 2HB LYS 13 -6.918 6.792 -6.220 110 2HB LYS 13 1HB LYS 13 -5.820 5.436 -6.483 111 1HG LYS 13 2HG LYS 13 -4.584 7.441 -5.749 112 2HG LYS 13 1HG LYS 13 -4.124 6.978 -7.388 113 1HD LYS 13 2HD LYS 13 -4.745 8.999 -8.146 114 2HD LYS 13 1HD LYS 13 -6.384 8.721 -7.556 115 1HE LYS 13 2HE LYS 13 -5.122 9.288 -5.219 116 2HE LYS 13 1HE LYS 13 -4.177 10.274 -6.334 117 1HZ LYS 13 1HZ LYS 13 -7.118 10.328 -5.950 118 2HZ LYS 13 2HZ LYS 13 -6.309 11.159 -7.191 119 3HZ LYS 13 3HZ LYS 13 -6.014 11.557 -5.566 120 H CYS 14 H CYS 14 -6.460 3.814 -7.723 121 HA CYS 14 HA CYS 14 -4.798 3.194 -10.125 122 1HB CYS 14 2HB CYS 14 -4.104 1.394 -7.994 123 2HB CYS 14 1HB CYS 14 -3.056 2.504 -8.861 124 H SER 15 H SER 15 -7.600 2.856 -9.919 125 HA SER 15 HA SER 15 -8.082 0.023 -9.261 126 1HB SER 15 2HB SER 15 -9.757 1.904 -8.850 127 2HB SER 15 1HB SER 15 -9.989 1.958 -10.595 128 HG SER 15 HG SER 15 -10.402 -0.243 -8.846 129 H GLN 16 H GLN 16 -6.737 1.592 -11.847 130 HA GLN 16 HA GLN 16 -7.966 -0.211 -13.871 131 1HB GLN 16 2HB GLN 16 -6.389 2.342 -14.009 132 2HB GLN 16 1HB GLN 16 -6.388 1.252 -15.396 133 1HG GLN 16 2HG GLN 16 -9.057 1.712 -14.237 134 2HG GLN 16 1HG GLN 16 -8.309 3.157 -14.916 135 1HE2 GLN 16 1HE2 GLN 16 -8.273 3.341 -17.195 136 2HE2 GLN 16 2HE2 GLN 16 -8.762 2.108 -18.254 137 H CYS 17 H CYS 17 -4.752 0.825 -12.694 138 HA CYS 17 HA CYS 17 -3.499 -1.470 -14.058 139 1HB CYS 17 2HB CYS 17 -2.448 0.848 -12.429 140 2HB CYS 17 1HB CYS 17 -1.412 -0.511 -12.865 141 H HIS 18 H HIS 18 -4.947 -0.817 -11.025 142 HA HIS 18 HA HIS 18 -3.728 -3.327 -9.956 143 1HB HIS 18 2HB HIS 18 -4.183 -0.742 -8.451 144 2HB HIS 18 1HB HIS 18 -3.823 -2.280 -7.671 145 HD1 HIS 18 HD1 HIS 18 -1.409 -3.151 -7.811 146 HD2 HIS 18 HD2 HIS 18 -2.023 0.366 -9.943 147 HE1 HIS 18 HE1 HIS 18 0.887 -2.272 -8.419 148 H THR 19 H THR 19 -5.784 -4.291 -10.720 149 HA THR 19 HA THR 19 -8.272 -3.387 -9.469 150 HB THR 19 HB THR 19 -9.278 -5.336 -10.556 151 HG1 THR 19 HG1 THR 19 -6.577 -6.066 -10.799 152 1HG2 THR 19 1HG2 THR 19 -7.302 -3.717 -12.145 153 2HG2 THR 19 2HG2 THR 19 -9.062 -3.591 -12.110 154 3HG2 THR 19 3HG2 THR 19 -8.290 -4.946 -12.936 155 H VAL 20 H VAL 20 -7.789 -3.511 -7.218 156 HA VAL 20 HA VAL 20 -6.818 -6.016 -6.063 157 HB VAL 20 HB VAL 20 -6.795 -4.851 -3.988 158 1HG1 VAL 20 1HG1 VAL 20 -5.595 -2.815 -4.509 159 2HG1 VAL 20 2HG1 VAL 20 -6.347 -2.728 -6.102 160 3HG1 VAL 20 3HG1 VAL 20 -5.197 -4.015 -5.740 161 1HG2 VAL 20 1HG2 VAL 20 -7.949 -2.543 -3.878 162 2HG2 VAL 20 2HG2 VAL 20 -8.994 -3.964 -3.822 163 3HG2 VAL 20 3HG2 VAL 20 -8.824 -3.052 -5.323 164 H GLU 21 H GLU 21 -9.373 -6.235 -7.490 165 HA GLU 21 HA GLU 21 -10.847 -7.654 -5.440 166 1HB GLU 21 2HB GLU 21 -12.951 -6.285 -5.697 167 2HB GLU 21 1HB GLU 21 -11.652 -5.464 -4.832 168 1HG GLU 21 2HG GLU 21 -11.619 -3.817 -6.361 169 2HG GLU 21 1HG GLU 21 -11.366 -4.988 -7.658 170 H LYS 22 H LYS 22 -9.731 -7.863 -8.282 171 HA LYS 22 HA LYS 22 -12.220 -8.493 -9.773 172 1HB LYS 22 2HB LYS 22 -10.299 -7.251 -10.866 173 2HB LYS 22 1HB LYS 22 -9.361 -8.740 -10.742 174 1HG LYS 22 2HG LYS 22 -11.151 -9.928 -12.014 175 2HG LYS 22 1HG LYS 22 -11.985 -8.388 -12.219 176 1HD LYS 22 2HD LYS 22 -9.291 -7.957 -12.989 177 2HD LYS 22 1HD LYS 22 -9.804 -9.460 -13.756 178 1HE LYS 22 2HE LYS 22 -11.573 -8.423 -14.902 179 2HE LYS 22 1HE LYS 22 -11.590 -7.039 -13.810 180 1HZ LYS 22 1HZ LYS 22 -10.551 -6.732 -16.099 181 2HZ LYS 22 2HZ LYS 22 -9.242 -7.635 -15.500 182 3HZ LYS 22 3HZ LYS 22 -9.674 -6.167 -14.762 183 H GLY 23 H GLY 23 -9.835 -10.059 -7.862 184 1HA GLY 23 2HA GLY 23 -10.634 -12.431 -7.281 185 2HA GLY 23 1HA GLY 23 -10.603 -12.703 -9.024 186 H GLY 24 H GLY 24 -8.149 -10.938 -9.226 187 1HA GLY 24 1HA GLY 24 -5.880 -11.344 -7.991 188 2HA GLY 24 2HA GLY 24 -6.205 -13.033 -8.378 189 H LYS 25 H LYS 25 -7.532 -11.508 -10.906 190 HA LYS 25 HA LYS 25 -5.406 -12.194 -12.719 191 1HB LYS 25 2HB LYS 25 -7.931 -12.026 -13.207 192 2HB LYS 25 1HB LYS 25 -7.664 -10.289 -13.351 193 1HG LYS 25 2HG LYS 25 -5.834 -10.816 -15.026 194 2HG LYS 25 1HG LYS 25 -6.401 -12.487 -15.005 195 1HD LYS 25 2HD LYS 25 -8.489 -10.411 -15.386 196 2HD LYS 25 1HD LYS 25 -7.362 -10.630 -16.725 197 1HE LYS 25 2HE LYS 25 -9.036 -12.195 -17.219 198 2HE LYS 25 1HE LYS 25 -7.835 -13.177 -16.381 199 1HZ LYS 25 1HZ LYS 25 -9.093 -13.249 -14.473 200 2HZ LYS 25 2HZ LYS 25 -10.299 -13.300 -15.668 201 3HZ LYS 25 3HZ LYS 25 -9.969 -11.848 -14.851 202 H HIS 26 H HIS 26 -3.862 -10.881 -13.702 203 HA HIS 26 HA HIS 26 -3.676 -8.091 -12.635 204 1HB HIS 26 2HB HIS 26 -1.245 -9.207 -13.864 205 2HB HIS 26 1HB HIS 26 -1.437 -8.370 -12.327 206 HD1 HIS 26 HD1 HIS 26 -2.240 -11.805 -13.798 207 HD2 HIS 26 HD2 HIS 26 -1.167 -10.064 -10.165 208 HE1 HIS 26 HE1 HIS 26 -1.963 -13.707 -12.147 209 H LYS 27 H LYS 27 -4.261 -6.639 -14.170 210 HA LYS 27 HA LYS 27 -4.073 -7.362 -17.006 211 1HB LYS 27 2HB LYS 27 -6.121 -6.287 -16.378 212 2HB LYS 27 1HB LYS 27 -5.255 -4.990 -15.553 213 1HG LYS 27 2HG LYS 27 -4.707 -3.917 -17.511 214 2HG LYS 27 1HG LYS 27 -4.624 -5.420 -18.432 215 1HD LYS 27 2HD LYS 27 -6.934 -5.505 -18.762 216 2HD LYS 27 1HD LYS 27 -7.270 -4.482 -17.364 217 1HE LYS 27 2HE LYS 27 -6.791 -2.523 -18.507 218 2HE LYS 27 1HE LYS 27 -5.694 -3.324 -19.632 219 1HZ LYS 27 1HZ LYS 27 -8.652 -3.591 -19.591 220 2HZ LYS 27 2HZ LYS 27 -7.608 -4.405 -20.654 221 3HZ LYS 27 3HZ LYS 27 -7.747 -2.714 -20.726 222 H THR 28 H THR 28 -3.435 -4.178 -15.564 223 HA THR 28 HA THR 28 -0.977 -4.028 -17.232 224 HB THR 28 HB THR 28 -2.678 -1.941 -15.853 225 HG1 THR 28 HG1 THR 28 -3.239 -1.463 -17.848 226 1HG2 THR 28 1HG2 THR 28 -1.011 -0.315 -16.919 227 2HG2 THR 28 2HG2 THR 28 0.077 -1.695 -17.072 228 3HG2 THR 28 3HG2 THR 28 -0.457 -1.164 -15.476 229 H GLY 29 H GLY 29 -2.020 -3.195 -13.901 230 1HA GLY 29 1HA GLY 29 0.825 -3.290 -13.079 231 2HA GLY 29 2HA GLY 29 -0.501 -2.657 -12.104 232 HA PRO 30 HA PRO 30 0.544 -7.075 -10.871 233 1HB PRO 30 2HB PRO 30 1.612 -6.485 -8.430 234 2HB PRO 30 1HB PRO 30 2.571 -6.619 -9.906 235 1HG PRO 30 2HG PRO 30 1.709 -4.152 -8.447 236 2HG PRO 30 1HG PRO 30 3.172 -4.439 -9.406 237 1HD PRO 30 2HD PRO 30 0.926 -3.039 -10.315 238 2HD PRO 30 1HD PRO 30 2.166 -3.762 -11.352 239 H ASN 31 H ASN 31 -1.236 -8.072 -10.089 240 HA ASN 31 HA ASN 31 -3.474 -6.840 -8.972 241 1HB ASN 31 2HB ASN 31 -3.433 -9.181 -9.795 242 2HB ASN 31 1HB ASN 31 -2.489 -9.648 -8.380 243 1HD2 ASN 31 1HD2 ASN 31 -5.481 -7.684 -8.927 244 2HD2 ASN 31 2HD2 ASN 31 -6.373 -8.445 -7.700 245 H LEU 32 H LEU 32 -3.172 -5.418 -7.283 246 HA LEU 32 HA LEU 32 -1.460 -6.051 -5.024 247 1HB LEU 32 2HB LEU 32 -2.899 -3.741 -6.034 248 2HB LEU 32 1HB LEU 32 -3.153 -3.931 -4.300 249 HG LEU 32 HG LEU 32 -0.840 -3.790 -3.825 250 1HD1 LEU 32 1HD1 LEU 32 0.706 -3.624 -6.015 251 2HD1 LEU 32 2HD1 LEU 32 -0.575 -4.644 -6.669 252 3HD1 LEU 32 3HD1 LEU 32 0.330 -5.169 -5.250 253 1HD2 LEU 32 1HD2 LEU 32 -0.916 -1.573 -4.236 254 2HD2 LEU 32 2HD2 LEU 32 -2.042 -1.824 -5.570 255 3HD2 LEU 32 3HD2 LEU 32 -0.304 -1.896 -5.858 256 H HIS 33 H HIS 33 -2.613 -8.131 -4.528 257 HA HIS 33 HA HIS 33 -5.257 -7.771 -3.224 258 1HB HIS 33 2HB HIS 33 -4.313 -9.771 -4.836 259 2HB HIS 33 1HB HIS 33 -4.008 -10.449 -3.237 260 HD1 HIS 33 HD1 HIS 33 -5.929 -12.129 -3.205 261 HD2 HIS 33 HD2 HIS 33 -7.198 -8.240 -4.008 262 HE1 HIS 33 HE1 HIS 33 -8.459 -12.161 -3.081 263 H GLY 34 H GLY 34 -2.308 -9.647 -2.428 264 1HA GLY 34 2HA GLY 34 -2.742 -8.865 0.426 265 2HA GLY 34 1HA GLY 34 -1.949 -10.357 -0.083 266 H LEU 35 H LEU 35 -1.310 -7.341 -1.725 267 HA LEU 35 HA LEU 35 1.449 -7.456 -1.694 268 1HB LEU 35 2HB LEU 35 0.365 -5.714 -2.947 269 2HB LEU 35 1HB LEU 35 -0.341 -5.023 -1.485 270 HG LEU 35 HG LEU 35 2.580 -5.276 -1.351 271 1HD1 LEU 35 1HD1 LEU 35 2.208 -4.774 -3.797 272 2HD1 LEU 35 2HD1 LEU 35 3.102 -3.523 -2.931 273 3HD1 LEU 35 3HD1 LEU 35 1.395 -3.288 -3.307 274 1HD2 LEU 35 1HD2 LEU 35 0.459 -3.205 -0.814 275 2HD2 LEU 35 2HD2 LEU 35 2.166 -2.759 -0.791 276 3HD2 LEU 35 3HD2 LEU 35 1.559 -3.981 0.326 277 H PHE 36 H PHE 36 -0.658 -6.497 0.953 278 HA PHE 36 HA PHE 36 1.490 -5.446 2.607 279 1HB PHE 36 2HB PHE 36 -1.367 -6.270 3.150 280 2HB PHE 36 1HB PHE 36 -0.286 -5.756 4.447 281 HD1 PHE 36 HD1 PHE 36 -0.933 -4.617 0.924 282 HD2 PHE 36 HD2 PHE 36 -0.627 -3.543 5.072 283 HE1 PHE 36 HE1 PHE 36 -1.348 -2.244 0.340 284 HE2 PHE 36 HE2 PHE 36 -1.043 -1.170 4.488 285 HZ PHE 36 HZ PHE 36 -1.403 -0.519 2.122 286 H GLY 37 H GLY 37 2.889 -6.611 3.838 287 1HA GLY 37 2HA GLY 37 3.719 -8.412 5.125 288 2HA GLY 37 1HA GLY 37 2.156 -9.211 4.945 289 H ARG 38 H ARG 38 2.957 -8.337 1.893 290 HA ARG 38 HA ARG 38 4.427 -10.898 1.395 291 1HB ARG 38 2HB ARG 38 2.144 -11.085 0.572 292 2HB ARG 38 1HB ARG 38 2.290 -9.548 -0.280 293 1HG ARG 38 2HG ARG 38 4.474 -11.021 -1.188 294 2HG ARG 38 1HG ARG 38 3.169 -12.205 -1.103 295 1HD ARG 38 2HD ARG 38 3.154 -11.131 -3.299 296 2HD ARG 38 1HD ARG 38 1.716 -10.653 -2.398 297 HE ARG 38 HE ARG 38 3.236 -8.574 -1.789 298 1HH1 ARG 38 1HH2 ARG 38 4.795 -10.068 -4.215 299 2HH1 ARG 38 2HH2 ARG 38 4.536 -8.864 -5.433 300 1HH2 ARG 38 1HH1 ARG 38 2.176 -7.122 -3.581 301 2HH2 ARG 38 2HH1 ARG 38 3.053 -7.195 -5.072 302 H LYS 39 H LYS 39 6.404 -10.566 0.502 303 HA LYS 39 HA LYS 39 7.398 -7.990 -0.194 304 1HB LYS 39 2HB LYS 39 9.314 -9.201 -1.165 305 2HB LYS 39 1HB LYS 39 8.857 -9.906 0.386 306 1HG LYS 39 2HG LYS 39 8.160 -11.861 -0.558 307 2HG LYS 39 1HG LYS 39 7.475 -11.049 -1.965 308 1HD LYS 39 2HD LYS 39 9.270 -12.042 -3.000 309 2HD LYS 39 1HD LYS 39 10.074 -10.572 -2.446 310 1HE LYS 39 2HE LYS 39 9.957 -12.819 -0.504 311 2HE LYS 39 1HE LYS 39 11.014 -13.045 -1.898 312 1HZ LYS 39 1HZ LYS 39 12.315 -11.262 -1.319 313 2HZ LYS 39 2HZ LYS 39 11.911 -11.881 0.211 314 3HZ LYS 39 3HZ LYS 39 11.100 -10.518 -0.398 315 H THR 40 H THR 40 8.475 -7.842 -2.599 316 HA THR 40 HA THR 40 6.170 -7.657 -4.393 317 HB THR 40 HB THR 40 7.539 -6.349 -5.759 318 HG1 THR 40 HG1 THR 40 9.670 -7.870 -4.684 319 1HG2 THR 40 1HG2 THR 40 8.164 -4.764 -4.273 320 2HG2 THR 40 2HG2 THR 40 9.355 -5.827 -3.523 321 3HG2 THR 40 3HG2 THR 40 7.666 -5.906 -3.025 322 H GLY 41 H GLY 41 6.747 -8.384 -6.810 323 1HA GLY 41 2HA GLY 41 6.887 -10.249 -8.229 324 2HA GLY 41 1HA GLY 41 8.377 -10.604 -7.358 325 H GLN 42 H GLN 42 5.130 -11.617 -7.881 326 HA GLN 42 HA GLN 42 5.588 -13.931 -6.128 327 1HB GLN 42 2HB GLN 42 4.170 -11.724 -5.121 328 2HB GLN 42 1HB GLN 42 2.936 -12.903 -5.564 329 1HG GLN 42 2HG GLN 42 3.802 -13.177 -3.217 330 2HG GLN 42 1HG GLN 42 3.997 -14.614 -4.220 331 1HE2 GLN 42 1HE2 GLN 42 5.820 -11.694 -3.151 332 2HE2 GLN 42 2HE2 GLN 42 7.340 -12.446 -3.197 333 H ALA 43 H ALA 43 2.812 -12.327 -7.746 334 HA ALA 43 HA ALA 43 1.604 -14.753 -8.603 335 1HB ALA 43 1HB ALA 43 0.057 -13.411 -9.629 336 2HB ALA 43 2HB ALA 43 1.285 -12.366 -10.343 337 3HB ALA 43 3HB ALA 43 0.835 -12.168 -8.649 338 HA PRO 44 HA PRO 44 4.289 -15.841 -11.956 339 1HB PRO 44 2HB PRO 44 2.709 -17.849 -12.968 340 2HB PRO 44 1HB PRO 44 3.702 -18.029 -11.512 341 1HG PRO 44 2HG PRO 44 0.749 -17.727 -11.738 342 2HG PRO 44 1HG PRO 44 1.706 -18.476 -10.449 343 1HD PRO 44 2HD PRO 44 0.529 -15.889 -10.381 344 2HD PRO 44 1HD PRO 44 1.707 -16.544 -9.223 345 H GLY 45 H GLY 45 3.705 -16.540 -14.462 346 1HA GLY 45 2HA GLY 45 3.145 -15.549 -16.527 347 2HA GLY 45 1HA GLY 45 1.514 -15.554 -15.855 348 H TYR 46 H TYR 46 4.026 -13.730 -14.276 349 HA TYR 46 HA TYR 46 3.344 -11.212 -15.629 350 1HB TYR 46 2HB TYR 46 1.491 -11.598 -13.952 351 2HB TYR 46 1HB TYR 46 2.705 -11.553 -12.683 352 HD1 TYR 46 HD1 TYR 46 4.247 -9.235 -14.527 353 HD2 TYR 46 HD2 TYR 46 0.408 -9.716 -12.705 354 HE1 TYR 46 HE1 TYR 46 4.026 -6.802 -14.414 355 HE2 TYR 46 HE2 TYR 46 0.201 -7.255 -12.582 356 HH TYR 46 HH TYR 46 2.223 -5.227 -12.540 357 H SER 47 H SER 47 5.374 -10.445 -15.873 358 HA SER 47 HA SER 47 7.482 -10.997 -13.917 359 1HB SER 47 2HB SER 47 7.899 -8.845 -15.905 360 2HB SER 47 1HB SER 47 8.904 -10.243 -15.542 361 HG SER 47 HG SER 47 7.920 -10.358 -17.622 362 H TYR 48 H TYR 48 6.215 -10.017 -12.110 363 HA TYR 48 HA TYR 48 5.280 -7.412 -11.842 364 1HB TYR 48 2HB TYR 48 6.495 -9.423 -10.045 365 2HB TYR 48 1HB TYR 48 6.558 -7.774 -9.451 366 HD1 TYR 48 HD1 TYR 48 3.901 -9.295 -11.578 367 HD2 TYR 48 HD2 TYR 48 5.014 -7.839 -7.710 368 HE1 TYR 48 HE1 TYR 48 1.552 -9.528 -10.811 369 HE2 TYR 48 HE2 TYR 48 2.667 -8.057 -6.940 370 HH TYR 48 HH TYR 48 0.654 -8.987 -7.444 371 H THR 49 H THR 49 6.599 -5.724 -10.347 372 HA THR 49 HA THR 49 8.678 -4.630 -11.947 373 HB THR 49 HB THR 49 9.191 -3.655 -9.411 374 HG1 THR 49 HG1 THR 49 7.384 -3.717 -8.270 375 1HG2 THR 49 1HG2 THR 49 8.739 -1.870 -10.691 376 2HG2 THR 49 2HG2 THR 49 7.026 -2.160 -10.392 377 3HG2 THR 49 3HG2 THR 49 7.802 -2.847 -11.820 378 H ALA 50 H ALA 50 10.155 -6.365 -12.361 379 HA ALA 50 HA ALA 50 11.403 -8.079 -10.573 380 1HB ALA 50 1HB ALA 50 12.904 -8.489 -12.256 381 2HB ALA 50 2HB ALA 50 13.232 -6.776 -12.519 382 3HB ALA 50 3HB ALA 50 11.779 -7.510 -13.198 383 H ALA 51 H ALA 51 12.229 -4.682 -11.228 384 HA ALA 51 HA ALA 51 14.562 -4.459 -9.688 385 1HB ALA 51 1HB ALA 51 13.983 -2.505 -10.837 386 2HB ALA 51 2HB ALA 51 13.584 -2.077 -9.174 387 3HB ALA 51 3HB ALA 51 12.308 -2.562 -10.291 388 H ASN 52 H ASN 52 11.310 -3.547 -8.454 389 HA ASN 52 HA ASN 52 11.874 -3.379 -5.752 390 1HB ASN 52 2HB ASN 52 9.514 -3.973 -7.355 391 2HB ASN 52 1HB ASN 52 9.469 -4.814 -5.806 392 1HD2 ASN 52 1HD2 ASN 52 10.877 -2.897 -4.209 393 2HD2 ASN 52 2HD2 ASN 52 9.933 -1.490 -4.107 394 H LYS 53 H LYS 53 11.285 -6.364 -7.599 395 HA LYS 53 HA LYS 53 11.207 -8.296 -5.634 396 1HB LYS 53 2HB LYS 53 11.493 -8.386 -8.316 397 2HB LYS 53 1HB LYS 53 13.120 -8.868 -7.833 398 1HG LYS 53 2HG LYS 53 11.317 -10.257 -6.137 399 2HG LYS 53 1HG LYS 53 10.707 -10.427 -7.784 400 1HD LYS 53 2HD LYS 53 12.825 -11.297 -8.553 401 2HD LYS 53 1HD LYS 53 13.590 -10.941 -7.004 402 1HE LYS 53 2HE LYS 53 12.238 -12.595 -5.878 403 2HE LYS 53 1HE LYS 53 11.248 -12.838 -7.317 404 1HZ LYS 53 1HZ LYS 53 13.576 -13.369 -8.364 405 2HZ LYS 53 2HZ LYS 53 12.697 -14.559 -7.529 406 3HZ LYS 53 3HZ LYS 53 13.975 -13.745 -6.759 407 H ASN 54 H ASN 54 14.359 -7.626 -7.189 408 HA ASN 54 HA ASN 54 15.845 -8.724 -5.022 409 1HB ASN 54 2HB ASN 54 17.809 -7.644 -6.107 410 2HB ASN 54 1HB ASN 54 16.808 -8.528 -7.259 411 1HD2 ASN 54 1HD2 ASN 54 17.483 -5.226 -6.042 412 2HD2 ASN 54 2HD2 ASN 54 16.931 -4.430 -7.435 413 H LYS 55 H LYS 55 14.317 -5.670 -5.331 414 HA LYS 55 HA LYS 55 16.065 -4.052 -3.778 415 1HB LYS 55 2HB LYS 55 14.065 -3.220 -5.047 416 2HB LYS 55 1HB LYS 55 13.036 -3.936 -3.807 417 1HG LYS 55 2HG LYS 55 13.222 -1.837 -2.897 418 2HG LYS 55 1HG LYS 55 14.692 -2.532 -2.217 419 1HD LYS 55 2HD LYS 55 14.754 -1.226 -4.926 420 2HD LYS 55 1HD LYS 55 14.850 -0.242 -3.464 421 1HE LYS 55 2HE LYS 55 16.757 -2.385 -4.406 422 2HE LYS 55 1HE LYS 55 17.109 -0.705 -4.004 423 1HZ LYS 55 1HZ LYS 55 17.820 -1.842 -2.145 424 2HZ LYS 55 2HZ LYS 55 16.544 -2.964 -2.198 425 3HZ LYS 55 3HZ LYS 55 16.258 -1.369 -1.686 426 H GLY 56 H GLY 56 14.253 -6.809 -2.885 427 1HA GLY 56 1HA GLY 56 13.729 -7.735 -0.782 428 2HA GLY 56 2HA GLY 56 15.220 -6.947 -0.255 429 H ILE 57 H ILE 57 12.065 -5.701 -1.356 430 HA ILE 57 HA ILE 57 12.036 -3.972 1.084 431 HB ILE 57 HB ILE 57 12.087 -2.959 -1.286 432 1HG1 ILE 57 2HG1 ILE 57 11.397 -1.772 0.847 433 2HG1 ILE 57 1HG1 ILE 57 10.685 -1.125 -0.631 434 1HG2 ILE 57 1HG2 ILE 57 9.180 -3.808 -1.194 435 2HG2 ILE 57 2HG2 ILE 57 10.407 -4.539 -2.229 436 3HG2 ILE 57 3HG2 ILE 57 9.953 -2.850 -2.453 437 1HD1 ILE 57 1HD1 ILE 57 8.878 -1.278 0.900 438 2HD1 ILE 57 2HD1 ILE 57 9.376 -2.875 1.452 439 3HD1 ILE 57 3HD1 ILE 57 8.692 -2.673 -0.159 440 H ILE 58 H ILE 58 10.522 -4.471 2.597 441 HA ILE 58 HA ILE 58 8.369 -6.372 1.911 442 HB ILE 58 HB ILE 58 9.789 -6.384 4.093 443 1HG1 ILE 58 2HG1 ILE 58 7.831 -7.818 3.766 444 2HG1 ILE 58 1HG1 ILE 58 7.825 -7.171 5.408 445 1HG2 ILE 58 1HG2 ILE 58 7.692 -4.459 5.067 446 2HG2 ILE 58 2HG2 ILE 58 9.210 -3.855 4.403 447 3HG2 ILE 58 3HG2 ILE 58 9.224 -4.905 5.820 448 1HD1 ILE 58 1HD1 ILE 58 5.621 -6.780 4.754 449 2HD1 ILE 58 2HD1 ILE 58 6.071 -6.445 3.082 450 3HD1 ILE 58 3HD1 ILE 58 6.385 -5.246 4.336 451 H TRP 59 H TRP 59 6.505 -5.540 1.092 452 HA TRP 59 HA TRP 59 5.885 -2.796 0.965 453 1HB TRP 59 2HB TRP 59 4.132 -5.250 0.777 454 2HB TRP 59 1HB TRP 59 3.512 -3.617 0.510 455 HD1 TRP 59 HD1 TRP 59 4.472 -6.287 -1.537 456 HE1 TRP 59 HE1 TRP 59 5.621 -5.550 -3.727 457 HE3 TRP 59 HE3 TRP 59 5.676 -1.471 -0.330 458 HZ2 TRP 59 HZ2 TRP 59 6.884 -3.226 -4.817 459 HZ3 TRP 59 HZ3 TRP 59 6.847 -0.021 -1.961 460 HH2 TRP 59 HH2 TRP 59 7.449 -0.891 -4.200 461 H GLY 60 H GLY 60 6.001 -1.717 2.911 462 1HA GLY 60 1HA GLY 60 4.011 -2.529 4.996 463 2HA GLY 60 2HA GLY 60 5.546 -1.749 5.382 464 H GLU 61 H GLU 61 3.673 -0.321 6.430 465 HA GLU 61 HA GLU 61 2.163 1.412 4.722 466 1HB GLU 61 2HB GLU 61 2.344 2.959 6.883 467 2HB GLU 61 1HB GLU 61 1.332 1.517 6.871 468 1HG GLU 61 2HG GLU 61 4.142 1.013 7.619 469 2HG GLU 61 1HG GLU 61 3.261 2.041 8.748 470 H ASP 62 H ASP 62 5.134 2.205 6.585 471 HA ASP 62 HA ASP 62 5.536 4.670 5.169 472 1HB ASP 62 2HB ASP 62 7.418 2.984 6.839 473 2HB ASP 62 1HB ASP 62 7.817 4.587 6.222 474 H THR 63 H THR 63 6.819 1.389 4.761 475 HA THR 63 HA THR 63 8.795 1.993 2.815 476 HB THR 63 HB THR 63 7.631 -0.509 2.129 477 HG1 THR 63 HG1 THR 63 7.822 -1.346 4.388 478 1HG2 THR 63 1HG2 THR 63 9.989 0.183 3.905 479 2HG2 THR 63 2HG2 THR 63 10.030 0.060 2.147 480 3HG2 THR 63 3HG2 THR 63 9.714 -1.375 3.123 481 H LEU 64 H LEU 64 5.306 1.488 2.503 482 HA LEU 64 HA LEU 64 5.388 1.549 -0.414 483 1HB LEU 64 2HB LEU 64 3.473 0.876 1.549 484 2HB LEU 64 1HB LEU 64 2.807 2.260 0.683 485 HG LEU 64 HG LEU 64 3.823 -0.318 -0.552 486 1HD1 LEU 64 1HD1 LEU 64 1.501 -0.166 0.603 487 2HD1 LEU 64 2HD1 LEU 64 1.567 -0.805 -1.039 488 3HD1 LEU 64 3HD1 LEU 64 1.056 0.859 -0.761 489 1HD2 LEU 64 1HD2 LEU 64 4.028 0.794 -2.501 490 2HD2 LEU 64 2HD2 LEU 64 3.722 2.304 -1.643 491 3HD2 LEU 64 3HD2 LEU 64 2.380 1.405 -2.352 492 H MET 65 H MET 65 5.003 3.870 2.187 493 HA MET 65 HA MET 65 3.909 6.038 0.722 494 1HB MET 65 2HB MET 65 4.114 6.145 3.146 495 2HB MET 65 1HB MET 65 5.872 6.034 3.035 496 1HG MET 65 2HG MET 65 5.279 8.169 1.372 497 2HG MET 65 1HG MET 65 4.129 8.365 2.693 498 1HE MET 65 1HE MET 65 6.469 10.921 3.809 499 2HE MET 65 2HE MET 65 5.145 10.177 4.704 500 3HE MET 65 3HE MET 65 4.991 10.432 2.968 501 H GLU 66 H GLU 66 7.214 4.823 0.979 502 HA GLU 66 HA GLU 66 8.371 7.048 -0.481 503 1HB GLU 66 2HB GLU 66 9.667 5.663 1.138 504 2HB GLU 66 1HB GLU 66 9.513 4.291 0.041 505 1HG GLU 66 2HG GLU 66 10.596 5.725 -1.746 506 2HG GLU 66 1HG GLU 66 10.941 6.909 -0.483 507 H TYR 67 H TYR 67 7.970 3.585 -1.293 508 HA TYR 67 HA TYR 67 8.691 3.680 -3.982 509 1HB TYR 67 2HB TYR 67 8.142 1.576 -2.875 510 2HB TYR 67 1HB TYR 67 6.456 2.067 -2.718 511 HD1 TYR 67 HD1 TYR 67 9.064 0.905 -5.023 512 HD2 TYR 67 HD2 TYR 67 4.985 2.185 -4.682 513 HE1 TYR 67 HE1 TYR 67 8.598 0.018 -7.291 514 HE2 TYR 67 HE2 TYR 67 4.513 1.298 -6.948 515 HH TYR 67 HH TYR 67 5.438 -0.380 -8.492 516 H LEU 68 H LEU 68 5.730 4.869 -2.510 517 HA LEU 68 HA LEU 68 4.468 5.275 -5.142 518 1HB LEU 68 2HB LEU 68 3.569 5.145 -2.414 519 2HB LEU 68 1HB LEU 68 3.053 6.677 -3.119 520 HG LEU 68 HG LEU 68 2.178 5.402 -5.096 521 1HD1 LEU 68 1HD1 LEU 68 3.663 3.315 -3.906 522 2HD1 LEU 68 2HD1 LEU 68 2.632 3.207 -5.332 523 3HD1 LEU 68 3HD1 LEU 68 1.968 2.858 -3.735 524 1HD2 LEU 68 1HD2 LEU 68 0.657 4.071 -3.028 525 2HD2 LEU 68 2HD2 LEU 68 0.205 5.466 -4.008 526 3HD2 LEU 68 3HD2 LEU 68 1.093 5.698 -2.503 527 H GLU 69 H GLU 69 5.956 7.214 -2.577 528 HA GLU 69 HA GLU 69 5.392 9.779 -3.668 529 1HB GLU 69 2HB GLU 69 6.569 8.938 -1.418 530 2HB GLU 69 1HB GLU 69 8.019 9.253 -2.360 531 1HG GLU 69 2HG GLU 69 7.436 11.547 -2.684 532 2HG GLU 69 1HG GLU 69 5.790 11.279 -2.109 533 H ASN 70 H ASN 70 7.498 7.237 -4.589 534 HA ASN 70 HA ASN 70 8.227 8.526 -7.071 535 1HB ASN 70 2HB ASN 70 10.111 8.596 -4.761 536 2HB ASN 70 1HB ASN 70 10.792 8.180 -6.333 537 1HD2 ASN 70 1HD2 ASN 70 9.278 9.781 -8.065 538 2HD2 ASN 70 2HD2 ASN 70 9.535 11.419 -7.702 539 HA PRO 71 HA PRO 71 8.326 3.969 -7.088 540 1HB PRO 71 2HB PRO 71 6.972 3.767 -9.482 541 2HB PRO 71 1HB PRO 71 6.169 3.871 -7.907 542 1HG PRO 71 2HG PRO 71 6.433 5.955 -10.016 543 2HG PRO 71 1HG PRO 71 5.199 5.784 -8.759 544 1HD PRO 71 2HD PRO 71 7.379 7.591 -8.707 545 2HD PRO 71 1HD PRO 71 6.329 7.179 -7.335 546 H LYS 72 H LYS 72 8.876 6.184 -9.835 547 HA LYS 72 HA LYS 72 10.633 4.327 -11.200 548 1HB LYS 72 2HB LYS 72 9.326 6.040 -12.420 549 2HB LYS 72 1HB LYS 72 10.259 7.305 -11.618 550 1HG LYS 72 2HG LYS 72 11.905 5.227 -12.909 551 2HG LYS 72 1HG LYS 72 10.930 6.176 -14.030 552 1HD LYS 72 2HD LYS 72 11.888 8.233 -13.270 553 2HD LYS 72 1HD LYS 72 12.643 7.445 -11.883 554 1HE LYS 72 2HE LYS 72 14.464 7.507 -13.297 555 2HE LYS 72 1HE LYS 72 13.765 5.972 -13.812 556 1HZ LYS 72 1HZ LYS 72 12.681 7.044 -15.622 557 2HZ LYS 72 2HZ LYS 72 14.313 7.511 -15.658 558 3HZ LYS 72 3HZ LYS 72 13.133 8.584 -15.072 559 H LYS 73 H LYS 73 11.056 7.002 -8.932 560 HA LYS 73 HA LYS 73 13.969 7.021 -9.308 561 1HB LYS 73 2HB LYS 73 12.510 8.305 -7.002 562 2HB LYS 73 1HB LYS 73 14.021 8.802 -7.760 563 1HG LYS 73 2HG LYS 73 11.904 8.736 -9.728 564 2HG LYS 73 1HG LYS 73 11.432 9.745 -8.360 565 1HD LYS 73 2HD LYS 73 12.597 11.247 -9.746 566 2HD LYS 73 1HD LYS 73 13.820 10.757 -8.574 567 1HE LYS 73 2HE LYS 73 14.873 9.299 -10.106 568 2HE LYS 73 1HE LYS 73 13.471 9.271 -11.176 569 1HZ LYS 73 1HZ LYS 73 15.485 11.385 -10.809 570 2HZ LYS 73 2HZ LYS 73 13.926 11.792 -11.350 571 3HZ LYS 73 3HZ LYS 73 14.886 10.714 -12.246 572 H TYR 74 H TYR 74 11.649 5.462 -7.199 573 HA TYR 74 HA TYR 74 13.705 4.669 -5.255 574 1HB TYR 74 2HB TYR 74 11.434 5.021 -4.440 575 2HB TYR 74 1HB TYR 74 10.806 3.845 -5.594 576 HD1 TYR 74 HD1 TYR 74 13.995 3.493 -3.738 577 HD2 TYR 74 HD2 TYR 74 9.891 2.256 -4.025 578 HE1 TYR 74 HE1 TYR 74 14.430 1.668 -2.118 579 HE2 TYR 74 HE2 TYR 74 10.326 0.432 -2.403 580 HH TYR 74 HH TYR 74 13.248 0.252 -0.584 581 H ILE 75 H ILE 75 11.392 2.635 -7.070 582 HA ILE 75 HA ILE 75 13.458 0.559 -7.262 583 HB ILE 75 HB ILE 75 10.578 0.482 -8.171 584 1HG1 ILE 75 2HG1 ILE 75 10.803 1.169 -5.769 585 2HG1 ILE 75 1HG1 ILE 75 10.037 -0.409 -5.969 586 1HG2 ILE 75 1HG2 ILE 75 11.681 -1.383 -9.016 587 2HG2 ILE 75 2HG2 ILE 75 11.062 -1.973 -7.474 588 3HG2 ILE 75 3HG2 ILE 75 12.754 -1.500 -7.623 589 1HD1 ILE 75 1HD1 ILE 75 11.644 -0.735 -4.255 590 2HD1 ILE 75 2HD1 ILE 75 12.868 0.196 -5.117 591 3HD1 ILE 75 3HD1 ILE 75 12.395 -1.398 -5.707 592 HA PRO 76 HA PRO 76 14.102 1.978 -11.478 593 1HB PRO 76 2HB PRO 76 16.336 0.433 -11.891 594 2HB PRO 76 1HB PRO 76 16.367 1.977 -11.022 595 1HG PRO 76 2HG PRO 76 16.575 -0.788 -9.935 596 2HG PRO 76 1HG PRO 76 17.172 0.734 -9.252 597 1HD PRO 76 2HD PRO 76 14.826 -0.660 -8.455 598 2HD PRO 76 1HD PRO 76 15.292 0.985 -7.973 599 H GLY 77 H GLY 77 11.998 0.319 -11.441 600 1HA GLY 77 2HA GLY 77 12.543 -1.554 -13.624 601 2HA GLY 77 1HA GLY 77 12.032 -2.323 -12.121 602 H THR 78 H THR 78 10.155 -0.414 -11.209 603 HA THR 78 HA THR 78 7.840 -1.189 -12.673 604 HB THR 78 HB THR 78 7.898 -0.275 -10.282 605 HG1 THR 78 HG1 THR 78 5.854 -0.250 -10.697 606 1HG2 THR 78 1HG2 THR 78 9.095 1.892 -11.404 607 2HG2 THR 78 2HG2 THR 78 8.214 1.950 -9.876 608 3HG2 THR 78 3HG2 THR 78 7.417 2.435 -11.372 609 H LYS 79 H LYS 79 6.358 0.256 -13.844 610 HA LYS 79 HA LYS 79 7.774 2.445 -15.295 611 1HB LYS 79 2HB LYS 79 6.260 0.094 -16.390 612 2HB LYS 79 1HB LYS 79 6.207 1.628 -17.261 613 1HG LYS 79 2HG LYS 79 8.350 1.429 -17.966 614 2HG LYS 79 1HG LYS 79 8.907 0.886 -16.382 615 1HD LYS 79 2HD LYS 79 8.340 -1.364 -16.822 616 2HD LYS 79 1HD LYS 79 7.295 -0.926 -18.173 617 1HE LYS 79 2HE LYS 79 10.080 -0.030 -18.482 618 2HE LYS 79 1HE LYS 79 9.894 -1.782 -18.426 619 1HZ LYS 79 1HZ LYS 79 8.860 -1.812 -20.389 620 2HZ LYS 79 2HZ LYS 79 9.516 -0.260 -20.615 621 3HZ LYS 79 3HZ LYS 79 7.925 -0.438 -20.045 622 H MET 80 H MET 80 5.514 1.912 -13.106 623 HA MET 80 HA MET 80 3.227 3.218 -14.351 624 1HB MET 80 2HB MET 80 2.228 3.170 -12.101 625 2HB MET 80 1HB MET 80 2.931 1.614 -12.514 626 1HG MET 80 2HG MET 80 4.815 1.976 -11.163 627 2HG MET 80 1HG MET 80 4.434 3.657 -10.930 628 1HE MET 80 1HE MET 80 1.892 4.088 -8.542 629 2HE MET 80 2HE MET 80 3.111 4.648 -9.683 630 3HE MET 80 3HE MET 80 3.603 4.064 -8.096 631 H ILE 81 H ILE 81 3.264 5.288 -14.839 632 HA ILE 81 HA ILE 81 4.951 7.173 -13.285 633 HB ILE 81 HB ILE 81 4.940 7.115 -15.848 634 1HG1 ILE 81 2HG1 ILE 81 4.137 9.855 -15.334 635 2HG1 ILE 81 1HG1 ILE 81 5.131 9.240 -14.013 636 1HG2 ILE 81 1HG2 ILE 81 3.076 7.760 -17.039 637 2HG2 ILE 81 2HG2 ILE 81 2.472 8.788 -15.739 638 3HG2 ILE 81 3HG2 ILE 81 2.268 7.038 -15.649 639 1HD1 ILE 81 1HD1 ILE 81 5.839 9.181 -16.961 640 2HD1 ILE 81 2HD1 ILE 81 6.817 8.470 -15.676 641 3HD1 ILE 81 3HD1 ILE 81 6.570 10.216 -15.734 642 H PHE 82 H PHE 82 2.581 5.983 -12.179 643 HA PHE 82 HA PHE 82 0.274 7.617 -12.259 644 1HB PHE 82 2HB PHE 82 -0.123 5.623 -11.183 645 2HB PHE 82 1HB PHE 82 1.459 5.595 -10.418 646 HD1 PHE 82 HD1 PHE 82 -1.865 7.240 -10.323 647 HD2 PHE 82 HD2 PHE 82 1.761 6.369 -8.200 648 HE1 PHE 82 HE1 PHE 82 -2.882 8.129 -8.240 649 HE2 PHE 82 HE2 PHE 82 0.748 7.255 -6.111 650 HZ PHE 82 HZ PHE 82 -1.575 8.131 -6.134 651 H VAL 83 H VAL 83 3.275 7.929 -10.466 652 HA VAL 83 HA VAL 83 2.899 9.591 -8.390 653 HB VAL 83 HB VAL 83 4.887 10.974 -9.283 654 1HG1 VAL 83 1HG1 VAL 83 6.292 9.330 -8.485 655 2HG1 VAL 83 2HG1 VAL 83 5.512 8.061 -9.428 656 3HG1 VAL 83 3HG1 VAL 83 4.753 8.654 -7.951 657 1HG2 VAL 83 1HG2 VAL 83 5.997 9.961 -11.249 658 2HG2 VAL 83 2HG2 VAL 83 4.402 10.580 -11.675 659 3HG2 VAL 83 3HG2 VAL 83 4.641 8.850 -11.438 660 H GLY 84 H GLY 84 1.203 11.001 -8.232 661 1HA GLY 84 2HA GLY 84 1.368 13.548 -9.582 662 2HA GLY 84 1HA GLY 84 0.038 12.580 -10.221 663 H ILE 85 H ILE 85 1.079 12.308 -6.884 664 HA ILE 85 HA ILE 85 -1.526 13.522 -6.069 665 HB ILE 85 HB ILE 85 0.195 11.367 -4.830 666 1HG1 ILE 85 2HG1 ILE 85 -2.715 11.558 -5.671 667 2HG1 ILE 85 1HG1 ILE 85 -1.450 10.630 -6.475 668 1HG2 ILE 85 1HG2 ILE 85 -0.349 12.268 -2.815 669 2HG2 ILE 85 2HG2 ILE 85 -1.962 11.635 -3.146 670 3HG2 ILE 85 3HG2 ILE 85 -1.581 13.317 -3.515 671 1HD1 ILE 85 1HD1 ILE 85 -1.213 9.169 -4.564 672 2HD1 ILE 85 2HD1 ILE 85 -2.927 9.250 -4.971 673 3HD1 ILE 85 3HD1 ILE 85 -2.300 10.171 -3.604 674 H LYS 86 H LYS 86 -1.526 15.077 -4.409 675 HA LYS 86 HA LYS 86 1.081 15.870 -3.239 676 1HB LYS 86 2HB LYS 86 -0.657 18.052 -4.333 677 2HB LYS 86 1HB LYS 86 1.087 18.036 -4.075 678 1HG LYS 86 2HG LYS 86 1.288 16.377 -5.949 679 2HG LYS 86 1HG LYS 86 -0.435 16.590 -6.260 680 1HD LYS 86 2HD LYS 86 1.041 18.026 -7.710 681 2HD LYS 86 1HD LYS 86 -0.118 18.942 -6.747 682 1HE LYS 86 2HE LYS 86 1.514 19.741 -5.291 683 2HE LYS 86 1HE LYS 86 2.608 18.397 -5.619 684 1HZ LYS 86 1HZ LYS 86 2.669 20.896 -6.768 685 2HZ LYS 86 2HZ LYS 86 2.070 19.871 -7.983 686 3HZ LYS 86 3HZ LYS 86 3.562 19.535 -7.245 687 H LYS 87 H LYS 87 -1.247 14.603 -2.102 688 HA LYS 87 HA LYS 87 -1.996 16.729 -0.150 689 1HB LYS 87 2HB LYS 87 -3.766 15.254 -1.953 690 2HB LYS 87 1HB LYS 87 -4.227 15.076 -0.259 691 1HG LYS 87 2HG LYS 87 -3.620 17.759 -1.521 692 2HG LYS 87 1HG LYS 87 -5.245 17.077 -1.454 693 1HD LYS 87 2HD LYS 87 -5.251 17.077 0.937 694 2HD LYS 87 1HD LYS 87 -3.520 17.411 1.008 695 1HE LYS 87 2HE LYS 87 -3.854 19.635 0.810 696 2HE LYS 87 1HE LYS 87 -4.941 19.414 -0.561 697 1HZ LYS 87 1HZ LYS 87 -6.035 18.597 1.982 698 2HZ LYS 87 2HZ LYS 87 -6.737 19.519 0.740 699 3HZ LYS 87 3HZ LYS 87 -5.706 20.256 1.870 700 H LYS 88 H LYS 88 -1.978 16.016 1.967 701 HA LYS 88 HA LYS 88 -0.817 13.389 2.481 702 1HB LYS 88 2HB LYS 88 -1.566 15.775 4.124 703 2HB LYS 88 1HB LYS 88 -1.379 14.226 4.945 704 1HG LYS 88 2HG LYS 88 0.878 14.170 4.608 705 2HG LYS 88 1HG LYS 88 0.757 14.894 3.005 706 1HD LYS 88 2HD LYS 88 -0.015 16.717 5.178 707 2HD LYS 88 1HD LYS 88 1.667 16.195 5.259 708 1HE LYS 88 2HE LYS 88 1.683 18.136 3.879 709 2HE LYS 88 1HE LYS 88 1.804 16.775 2.763 710 1HZ LYS 88 1HZ LYS 88 -0.120 18.763 2.788 711 2HZ LYS 88 2HZ LYS 88 -0.906 17.350 3.308 712 3HZ LYS 88 3HZ LYS 88 -0.090 17.372 1.818 713 H GLU 89 H GLU 89 -3.990 14.916 2.887 714 HA GLU 89 HA GLU 89 -5.200 12.775 4.347 715 1HB GLU 89 2HB GLU 89 -7.295 13.820 3.829 716 2HB GLU 89 1HB GLU 89 -6.124 15.125 4.027 717 1HG GLU 89 2HG GLU 89 -5.776 15.064 1.519 718 2HG GLU 89 1HG GLU 89 -7.151 13.962 1.426 719 H GLU 90 H GLU 90 -4.362 13.156 1.007 720 HA GLU 90 HA GLU 90 -6.217 11.102 0.049 721 1HB GLU 90 2HB GLU 90 -5.241 13.069 -1.310 722 2HB GLU 90 1HB GLU 90 -3.774 12.095 -1.418 723 1HG GLU 90 2HG GLU 90 -4.683 10.846 -3.051 724 2HG GLU 90 1HG GLU 90 -6.049 10.440 -2.012 725 H ARG 91 H ARG 91 -2.635 11.283 0.189 726 HA ARG 91 HA ARG 91 -2.127 8.574 -0.367 727 1HB ARG 91 2HB ARG 91 0.013 8.908 0.851 728 2HB ARG 91 1HB ARG 91 -0.336 10.247 -0.242 729 1HG ARG 91 2HG ARG 91 -0.165 11.656 1.502 730 2HG ARG 91 1HG ARG 91 -1.584 10.889 2.213 731 1HD ARG 91 2HD ARG 91 0.101 9.069 3.021 732 2HD ARG 91 1HD ARG 91 1.324 10.302 2.714 733 HE ARG 91 HE ARG 91 -0.799 11.417 4.293 734 1HH1 ARG 91 1HH2 ARG 91 2.268 11.521 4.679 735 2HH1 ARG 91 2HH2 ARG 91 2.410 10.764 6.230 736 1HH2 ARG 91 1HH1 ARG 91 -0.798 9.450 6.179 737 2HH2 ARG 91 2HH1 ARG 91 0.675 9.591 7.080 738 H ALA 92 H ALA 92 -3.205 10.087 2.616 739 HA ALA 92 HA ALA 92 -2.677 7.818 4.314 740 1HB ALA 92 1HB ALA 92 -3.153 9.413 5.833 741 2HB ALA 92 2HB ALA 92 -4.851 9.265 5.386 742 3HB ALA 92 3HB ALA 92 -3.829 10.455 4.581 743 H ASP 93 H ASP 93 -5.692 9.061 2.832 744 HA ASP 93 HA ASP 93 -7.352 6.916 3.663 745 1HB ASP 93 2HB ASP 93 -7.487 8.755 1.265 746 2HB ASP 93 1HB ASP 93 -8.743 7.568 1.624 747 H LEU 94 H LEU 94 -4.908 7.071 1.207 748 HA LEU 94 HA LEU 94 -5.870 4.848 -0.384 749 1HB LEU 94 2HB LEU 94 -3.232 6.284 -0.127 750 2HB LEU 94 1HB LEU 94 -3.365 4.814 -1.093 751 HG LEU 94 HG LEU 94 -5.109 7.269 -1.447 752 1HD1 LEU 94 1HD1 LEU 94 -2.472 7.104 -2.118 753 2HD1 LEU 94 2HD1 LEU 94 -3.654 8.046 -3.027 754 3HD1 LEU 94 3HD1 LEU 94 -3.217 6.424 -3.564 755 1HD2 LEU 94 1HD2 LEU 94 -6.367 5.492 -2.286 756 2HD2 LEU 94 2HD2 LEU 94 -4.938 4.563 -2.742 757 3HD2 LEU 94 3HD2 LEU 94 -5.434 5.950 -3.712 758 H ILE 95 H ILE 95 -3.139 5.087 1.927 759 HA ILE 95 HA ILE 95 -2.595 2.310 2.074 760 HB ILE 95 HB ILE 95 -2.353 4.197 4.425 761 1HG1 ILE 95 2HG1 ILE 95 -1.423 5.508 2.695 762 2HG1 ILE 95 1HG1 ILE 95 -0.030 4.650 3.352 763 1HG2 ILE 95 1HG2 ILE 95 -0.644 1.901 3.409 764 2HG2 ILE 95 2HG2 ILE 95 -1.765 1.821 4.769 765 3HG2 ILE 95 3HG2 ILE 95 -0.335 2.848 4.865 766 1HD1 ILE 95 1HD1 ILE 95 -0.894 2.862 1.483 767 2HD1 ILE 95 2HD1 ILE 95 0.340 4.085 1.177 768 3HD1 ILE 95 3HD1 ILE 95 -1.334 4.387 0.713 769 H ALA 96 H ALA 96 -4.886 4.305 3.865 770 HA ALA 96 HA ALA 96 -5.716 2.373 5.773 771 1HB ALA 96 1HB ALA 96 -7.862 3.722 5.817 772 2HB ALA 96 2HB ALA 96 -7.199 4.680 4.492 773 3HB ALA 96 3HB ALA 96 -6.390 4.663 6.058 774 H TYR 97 H TYR 97 -7.080 3.134 2.555 775 HA TYR 97 HA TYR 97 -9.136 1.168 2.628 776 1HB TYR 97 2HB TYR 97 -9.273 2.854 0.942 777 2HB TYR 97 1HB TYR 97 -7.655 2.486 0.346 778 HD1 TYR 97 HD1 TYR 97 -7.593 1.344 -1.671 779 HD2 TYR 97 HD2 TYR 97 -10.808 0.565 1.069 780 HE1 TYR 97 HE1 TYR 97 -8.544 -0.307 -3.257 781 HE2 TYR 97 HE2 TYR 97 -11.759 -1.087 -0.518 782 HH TYR 97 HH TYR 97 -10.969 -2.513 -2.374 783 H LEU 98 H LEU 98 -5.732 0.985 1.707 784 HA LEU 98 HA LEU 98 -6.003 -1.776 0.753 785 1HB LEU 98 2HB LEU 98 -3.853 0.263 0.902 786 2HB LEU 98 1HB LEU 98 -3.325 -1.414 1.022 787 HG LEU 98 HG LEU 98 -3.318 -0.781 -1.319 788 1HD1 LEU 98 1HD1 LEU 98 -5.879 -2.306 -1.174 789 2HD1 LEU 98 2HD1 LEU 98 -4.466 -3.011 -0.389 790 3HD1 LEU 98 3HD1 LEU 98 -4.423 -2.640 -2.112 791 1HD2 LEU 98 1HD2 LEU 98 -4.989 0.410 -2.358 792 2HD2 LEU 98 2HD2 LEU 98 -5.255 0.984 -0.713 793 3HD2 LEU 98 3HD2 LEU 98 -6.261 -0.307 -1.370 794 H LYS 99 H LYS 99 -5.620 -0.242 3.771 795 HA LYS 99 HA LYS 99 -4.274 -2.566 4.978 796 1HB LYS 99 2HB LYS 99 -4.362 0.212 5.567 797 2HB LYS 99 1HB LYS 99 -5.110 -0.633 6.924 798 1HG LYS 99 2HG LYS 99 -2.472 -1.503 5.728 799 2HG LYS 99 1HG LYS 99 -2.575 -0.349 7.057 800 1HD LYS 99 2HD LYS 99 -4.244 -2.687 7.534 801 2HD LYS 99 1HD LYS 99 -2.554 -3.131 7.293 802 1HE LYS 99 2HE LYS 99 -2.463 -2.647 9.543 803 2HE LYS 99 1HE LYS 99 -2.185 -1.024 8.911 804 1HZ LYS 99 1HZ LYS 99 -4.641 -2.176 10.051 805 2HZ LYS 99 2HZ LYS 99 -4.750 -0.895 8.939 806 3HZ LYS 99 3HZ LYS 99 -3.895 -0.692 10.394 807 H LYS 100 H LYS 100 -7.413 -1.528 4.306 808 HA LYS 100 HA LYS 100 -8.497 -3.210 6.532 809 1HB LYS 100 2HB LYS 100 -9.287 -0.918 6.724 810 2HB LYS 100 1HB LYS 100 -9.775 -0.906 5.028 811 1HG LYS 100 2HG LYS 100 -11.056 -3.152 6.055 812 2HG LYS 100 1HG LYS 100 -11.190 -1.969 7.356 813 1HD LYS 100 2HD LYS 100 -12.153 -0.332 5.821 814 2HD LYS 100 1HD LYS 100 -11.936 -1.439 4.465 815 1HE LYS 100 2HE LYS 100 -13.871 -2.488 4.940 816 2HE LYS 100 1HE LYS 100 -13.367 -2.754 6.608 817 1HZ LYS 100 1HZ LYS 100 -15.218 -0.879 5.600 818 2HZ LYS 100 2HZ LYS 100 -13.946 -0.057 6.369 819 3HZ LYS 100 3HZ LYS 100 -14.835 -1.233 7.214 820 H ALA 101 H ALA 101 -9.174 -2.227 3.155 821 HA ALA 101 HA ALA 101 -10.996 -4.371 2.649 822 1HB ALA 101 1HB ALA 101 -10.409 -3.842 0.203 823 2HB ALA 101 2HB ALA 101 -9.356 -2.585 0.853 824 3HB ALA 101 3HB ALA 101 -11.092 -2.526 1.159 825 H THR 102 H THR 102 -7.485 -4.130 2.446 826 HA THR 102 HA THR 102 -7.445 -7.029 1.714 827 HB THR 102 HB THR 102 -5.098 -6.243 0.701 828 HG1 THR 102 HG1 THR 102 -6.791 -4.012 0.296 829 1HG2 THR 102 1HG2 THR 102 -6.103 -6.349 -1.446 830 2HG2 THR 102 2HG2 THR 102 -7.628 -5.696 -0.849 831 3HG2 THR 102 3HG2 THR 102 -7.139 -7.334 -0.414 832 H ASN 103 H ASN 103 -7.391 -6.015 4.381 833 HA ASN 103 HA ASN 103 -5.152 -7.387 5.442 834 1HB ASN 103 2HB ASN 103 -4.103 -5.228 4.385 835 2HB ASN 103 1HB ASN 103 -4.763 -4.428 5.812 836 1HD2 ASN 103 1HD2 ASN 103 -2.326 -6.720 4.694 837 2HD2 ASN 103 2HD2 ASN 103 -1.530 -6.882 6.183 838 H GLU 104 HN GLU 104 -7.775 -7.466 6.115 839 HA GLU 104 HA GLU 104 -8.207 -5.730 8.470 840 1HB GLU 104 2HB GLU 104 -10.422 -6.841 8.570 841 2HB GLU 104 1HB GLU 104 -10.112 -6.162 6.972 842 1HG GLU 104 2HG GLU 104 -9.027 -8.745 6.873 843 2HG GLU 104 1HG GLU 104 -10.558 -8.931 7.728 844 HHA HEC 105 HHA HEC 105 4.336 -2.651 -9.199 845 HHB HEC 105 HHB HEC 105 1.276 0.955 -4.996 846 HHC HEC 105 HHC HEC 105 -1.786 3.852 -9.715 847 HHD HEC 105 HHD HEC 105 1.215 0.195 -13.902 848 1HMA HEC 105 1HMA HEC 105 3.469 -1.958 -4.108 849 2HMA HEC 105 2HMA HEC 105 2.168 -0.778 -3.949 850 3HMA HEC 105 3HMA HEC 105 3.839 -0.234 -4.082 851 1HAA HEC 105 1HAA HEC 105 5.312 -2.386 -5.715 852 2HAA HEC 105 2HAA HEC 105 5.252 -2.900 -7.392 853 1HBA HEC 105 1HBA HEC 105 3.138 -4.238 -6.650 854 2HBA HEC 105 2HBA HEC 105 3.789 -4.024 -5.024 855 1HMB HEC 105 1HMB HEC 105 0.195 2.483 -4.169 856 2HMB HEC 105 2HMB HEC 105 -1.553 2.388 -4.383 857 3HMB HEC 105 3HMB HEC 105 -0.732 3.941 -4.520 858 HAB HEC 105 HAB HEC 105 -2.354 4.823 -7.945 859 1HBB HEC 105 1HBB HEC 105 -2.584 6.181 -6.148 860 2HBB HEC 105 2HBB HEC 105 -0.951 5.563 -5.899 861 3HBB HEC 105 3HBB HEC 105 -2.298 4.889 -4.985 862 1HMC HEC 105 1HMC HEC 105 -2.717 4.101 -11.546 863 2HMC HEC 105 2HMC HEC 105 -1.619 4.833 -12.717 864 3HMC HEC 105 3HMC HEC 105 -2.751 3.582 -13.232 865 HAC HEC 105 HAC HEC 105 0.116 1.583 -14.982 866 1HBC HEC 105 1HBC HEC 105 -0.345 3.457 -15.994 867 2HBC HEC 105 2HBC HEC 105 -0.733 4.142 -14.415 868 3HBC HEC 105 3HBC HEC 105 -2.009 3.446 -15.413 869 1HMD HEC 105 1HMD HEC 105 4.182 -1.956 -14.382 870 2HMD HEC 105 2HMD HEC 105 2.535 -2.579 -14.465 871 3HMD HEC 105 3HMD HEC 105 2.843 -0.863 -14.734 872 1HAD HEC 105 1HAD HEC 105 5.599 -2.778 -12.054 873 2HAD HEC 105 2HAD HEC 105 4.665 -3.740 -10.922 874 1HBD HEC 105 1HBD HEC 105 3.299 -3.922 -13.374 875 2HBD HEC 105 2HBD HEC 105 4.261 -5.178 -12.595 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 -8.726 8.064 8.024 2 2H GLY 1 2HT GLY 1 -10.003 7.154 8.681 3 3H GLY 1 3HT GLY 1 -9.005 8.082 9.697 4 1HA GLY 1 1HA GLY 1 -10.479 9.714 9.542 5 2HA GLY 1 2HA GLY 1 -9.964 9.881 7.862 6 H ASP 2 H ASP 2 -11.105 8.470 6.264 7 HA ASP 2 HA ASP 2 -13.791 7.573 7.185 8 1HB ASP 2 2HB ASP 2 -13.434 9.153 4.636 9 2HB ASP 2 1HB ASP 2 -14.932 8.781 5.492 10 H VAL 3 H VAL 3 -13.752 5.435 6.681 11 HA VAL 3 HA VAL 3 -12.075 4.198 4.766 12 HB VAL 3 HB VAL 3 -13.187 2.878 6.476 13 1HG1 VAL 3 1HG1 VAL 3 -15.289 4.424 6.312 14 2HG1 VAL 3 2HG1 VAL 3 -15.513 2.726 6.733 15 3HG1 VAL 3 3HG1 VAL 3 -15.828 3.274 5.087 16 1HG2 VAL 3 1HG2 VAL 3 -13.199 2.251 3.699 17 2HG2 VAL 3 2HG2 VAL 3 -14.696 1.618 4.382 18 3HG2 VAL 3 3HG2 VAL 3 -13.142 1.130 5.058 19 H GLU 4 H GLU 4 -15.304 5.599 4.434 20 HA GLU 4 HA GLU 4 -16.005 4.641 1.881 21 1HB GLU 4 2HB GLU 4 -16.694 6.971 3.546 22 2HB GLU 4 1HB GLU 4 -16.886 7.247 1.814 23 1HG GLU 4 2HG GLU 4 -18.199 5.104 1.690 24 2HG GLU 4 1HG GLU 4 -18.127 5.019 3.451 25 H LYS 5 H LYS 5 -13.808 7.271 2.779 26 HA LYS 5 HA LYS 5 -13.393 8.148 0.038 27 1HB LYS 5 2HB LYS 5 -12.079 8.701 2.687 28 2HB LYS 5 1HB LYS 5 -11.292 9.218 1.196 29 1HG LYS 5 2HG LYS 5 -14.154 9.898 1.929 30 2HG LYS 5 1HG LYS 5 -12.781 10.976 2.190 31 1HD LYS 5 2HD LYS 5 -12.549 10.130 -0.480 32 2HD LYS 5 1HD LYS 5 -14.264 10.470 -0.252 33 1HE LYS 5 2HE LYS 5 -13.901 12.711 0.215 34 2HE LYS 5 1HE LYS 5 -12.272 12.426 0.829 35 1HZ LYS 5 1HZ LYS 5 -11.887 13.391 -1.214 36 2HZ LYS 5 2HZ LYS 5 -13.196 12.609 -1.962 37 3HZ LYS 5 3HZ LYS 5 -11.786 11.740 -1.588 38 H GLY 6 H GLY 6 -11.534 6.140 2.330 39 1HA GLY 6 1HA GLY 6 -9.219 5.630 0.928 40 2HA GLY 6 2HA GLY 6 -10.051 4.368 1.835 41 H LYS 7 H LYS 7 -12.287 3.850 0.420 42 HA LYS 7 HA LYS 7 -11.332 2.347 -1.820 43 1HB LYS 7 2HB LYS 7 -13.362 1.710 -0.590 44 2HB LYS 7 1HB LYS 7 -14.164 3.186 -1.128 45 1HG LYS 7 2HG LYS 7 -13.758 2.427 -3.509 46 2HG LYS 7 1HG LYS 7 -13.221 0.881 -2.851 47 1HD LYS 7 2HD LYS 7 -15.793 1.821 -1.764 48 2HD LYS 7 1HD LYS 7 -15.823 1.474 -3.493 49 1HE LYS 7 2HE LYS 7 -14.350 -0.576 -2.067 50 2HE LYS 7 1HE LYS 7 -15.972 -0.397 -1.399 51 1HZ LYS 7 1HZ LYS 7 -15.331 -0.756 -4.277 52 2HZ LYS 7 2HZ LYS 7 -16.888 -0.624 -3.610 53 3HZ LYS 7 3HZ LYS 7 -15.916 -1.969 -3.245 54 H LYS 8 H LYS 8 -12.881 5.528 -1.572 55 HA LYS 8 HA LYS 8 -13.351 5.903 -4.363 56 1HB LYS 8 2HB LYS 8 -13.997 7.344 -2.203 57 2HB LYS 8 1HB LYS 8 -12.566 8.250 -2.696 58 1HG LYS 8 2HG LYS 8 -13.885 9.312 -4.190 59 2HG LYS 8 1HG LYS 8 -13.952 7.790 -5.081 60 1HD LYS 8 2HD LYS 8 -15.853 7.159 -3.425 61 2HD LYS 8 1HD LYS 8 -15.926 8.888 -3.087 62 1HE LYS 8 2HE LYS 8 -16.318 9.373 -5.447 63 2HE LYS 8 1HE LYS 8 -16.139 7.666 -5.853 64 1HZ LYS 8 1HZ LYS 8 -18.486 8.600 -5.536 65 2HZ LYS 8 2HZ LYS 8 -18.140 8.550 -3.873 66 3HZ LYS 8 3HZ LYS 8 -18.109 7.122 -4.793 67 H ILE 9 H ILE 9 -10.420 6.031 -2.480 68 HA ILE 9 HA ILE 9 -8.965 7.562 -4.515 69 HB ILE 9 HB ILE 9 -7.723 5.944 -2.289 70 1HG1 ILE 9 2HG1 ILE 9 -9.516 7.326 -1.314 71 2HG1 ILE 9 1HG1 ILE 9 -7.934 7.972 -0.882 72 1HG2 ILE 9 1HG2 ILE 9 -6.338 7.031 -4.125 73 2HG2 ILE 9 2HG2 ILE 9 -5.937 7.534 -2.484 74 3HG2 ILE 9 3HG2 ILE 9 -6.904 8.586 -3.516 75 1HD1 ILE 9 1HD1 ILE 9 -8.938 9.056 -3.409 76 2HD1 ILE 9 2HD1 ILE 9 -8.305 9.903 -1.999 77 3HD1 ILE 9 3HD1 ILE 9 -9.999 9.413 -2.047 78 H PHE 10 H PHE 10 -8.323 4.290 -3.176 79 HA PHE 10 HA PHE 10 -6.697 3.394 -5.265 80 1HB PHE 10 2HB PHE 10 -7.363 2.212 -3.055 81 2HB PHE 10 1HB PHE 10 -8.719 1.567 -3.981 82 HD1 PHE 10 HD1 PHE 10 -5.012 1.758 -3.803 83 HD2 PHE 10 HD2 PHE 10 -8.401 -0.156 -5.620 84 HE1 PHE 10 HE1 PHE 10 -3.514 0.054 -4.807 85 HE2 PHE 10 HE2 PHE 10 -6.893 -1.857 -6.618 86 HZ PHE 10 HZ PHE 10 -4.467 -1.753 -6.223 87 H ILE 11 H ILE 11 -10.209 3.668 -5.175 88 HA ILE 11 HA ILE 11 -10.679 2.128 -7.569 89 HB ILE 11 HB ILE 11 -12.350 2.945 -5.697 90 1HG1 ILE 11 2HG1 ILE 11 -12.966 2.732 -8.653 91 2HG1 ILE 11 1HG1 ILE 11 -13.017 1.439 -7.454 92 1HG2 ILE 11 1HG2 ILE 11 -11.893 5.380 -6.305 93 2HG2 ILE 11 2HG2 ILE 11 -13.590 4.915 -6.221 94 3HG2 ILE 11 3HG2 ILE 11 -12.796 5.081 -7.787 95 1HD1 ILE 11 1HD1 ILE 11 -15.289 2.202 -7.889 96 2HD1 ILE 11 2HD1 ILE 11 -14.824 3.871 -7.560 97 3HD1 ILE 11 3HD1 ILE 11 -14.826 2.682 -6.257 98 H MET 12 H MET 12 -10.156 5.579 -6.923 99 HA MET 12 HA MET 12 -10.005 6.007 -9.881 100 1HB MET 12 2HB MET 12 -11.650 7.342 -8.327 101 2HB MET 12 1HB MET 12 -10.203 8.256 -7.899 102 1HG MET 12 2HG MET 12 -10.209 9.351 -9.871 103 2HG MET 12 1HG MET 12 -10.395 7.848 -10.776 104 1HE MET 12 1HE MET 12 -13.847 6.996 -11.022 105 2HE MET 12 2HE MET 12 -13.662 6.986 -9.270 106 3HE MET 12 3HE MET 12 -12.331 6.451 -10.293 107 H LYS 13 H LYS 13 -7.820 4.961 -8.115 108 HA LYS 13 HA LYS 13 -5.816 7.031 -8.856 109 1HB LYS 13 2HB LYS 13 -6.606 6.818 -6.255 110 2HB LYS 13 1HB LYS 13 -5.273 5.664 -6.290 111 1HG LYS 13 2HG LYS 13 -4.071 7.584 -5.869 112 2HG LYS 13 1HG LYS 13 -4.089 7.651 -7.632 113 1HD LYS 13 2HD LYS 13 -6.516 8.825 -6.678 114 2HD LYS 13 1HD LYS 13 -5.172 9.547 -5.791 115 1HE LYS 13 2HE LYS 13 -4.114 10.293 -7.773 116 2HE LYS 13 1HE LYS 13 -5.078 9.222 -8.789 117 1HZ LYS 13 1HZ LYS 13 -5.622 11.818 -8.350 118 2HZ LYS 13 2HZ LYS 13 -6.625 11.066 -7.202 119 3HZ LYS 13 3HZ LYS 13 -6.763 10.666 -8.848 120 H CYS 14 H CYS 14 -6.414 3.668 -7.811 121 HA CYS 14 HA CYS 14 -4.256 2.835 -9.665 122 1HB CYS 14 2HB CYS 14 -4.097 1.271 -7.209 123 2HB CYS 14 1HB CYS 14 -2.807 2.064 -8.106 124 H SER 15 H SER 15 -7.336 2.560 -9.134 125 HA SER 15 HA SER 15 -7.589 -0.363 -8.913 126 1HB SER 15 2HB SER 15 -9.339 0.947 -7.912 127 2HB SER 15 1HB SER 15 -9.601 1.846 -9.403 128 HG SER 15 HG SER 15 -10.609 -0.533 -8.629 129 H GLN 16 H GLN 16 -6.450 1.455 -11.302 130 HA GLN 16 HA GLN 16 -7.979 0.125 -13.484 131 1HB GLN 16 2HB GLN 16 -6.139 2.499 -13.343 132 2HB GLN 16 1HB GLN 16 -6.351 1.657 -14.878 133 1HG GLN 16 2HG GLN 16 -8.495 2.389 -15.131 134 2HG GLN 16 1HG GLN 16 -8.852 2.245 -13.410 135 1HE2 GLN 16 1HE2 GLN 16 -7.071 4.326 -15.739 136 2HE2 GLN 16 2HE2 GLN 16 -7.225 5.745 -14.819 137 H CYS 17 H CYS 17 -4.696 0.574 -12.215 138 HA CYS 17 HA CYS 17 -3.719 -1.598 -13.981 139 1HB CYS 17 2HB CYS 17 -2.346 0.437 -12.205 140 2HB CYS 17 1HB CYS 17 -1.475 -0.920 -12.921 141 H HIS 18 H HIS 18 -4.351 -0.823 -10.600 142 HA HIS 18 HA HIS 18 -3.510 -3.592 -9.837 143 1HB HIS 18 2HB HIS 18 -4.041 -1.171 -8.088 144 2HB HIS 18 1HB HIS 18 -3.560 -2.763 -7.505 145 HD1 HIS 18 HD1 HIS 18 -1.095 -3.350 -7.616 146 HD2 HIS 18 HD2 HIS 18 -2.005 0.187 -9.600 147 HE1 HIS 18 HE1 HIS 18 1.120 -2.267 -8.195 148 H THR 19 H THR 19 -5.568 -4.497 -10.663 149 HA THR 19 HA THR 19 -8.044 -3.510 -9.459 150 HB THR 19 HB THR 19 -8.770 -5.906 -10.496 151 HG1 THR 19 HG1 THR 19 -7.407 -6.565 -12.001 152 1HG2 THR 19 1HG2 THR 19 -9.256 -3.369 -11.130 153 2HG2 THR 19 2HG2 THR 19 -9.655 -4.678 -12.242 154 3HG2 THR 19 3HG2 THR 19 -8.177 -3.744 -12.474 155 H VAL 20 H VAL 20 -7.719 -3.743 -7.220 156 HA VAL 20 HA VAL 20 -6.959 -6.350 -6.112 157 HB VAL 20 HB VAL 20 -7.081 -5.241 -3.963 158 1HG1 VAL 20 1HG1 VAL 20 -5.642 -3.219 -4.426 159 2HG1 VAL 20 2HG1 VAL 20 -5.939 -3.479 -6.145 160 3HG1 VAL 20 3HG1 VAL 20 -5.083 -4.699 -5.203 161 1HG2 VAL 20 1HG2 VAL 20 -8.554 -3.585 -3.553 162 2HG2 VAL 20 2HG2 VAL 20 -9.123 -3.754 -5.214 163 3HG2 VAL 20 3HG2 VAL 20 -7.855 -2.590 -4.830 164 H GLU 21 H GLU 21 -9.738 -5.443 -7.503 165 HA GLU 21 HA GLU 21 -11.304 -7.193 -5.696 166 1HB GLU 21 2HB GLU 21 -12.034 -4.350 -6.419 167 2HB GLU 21 1HB GLU 21 -13.235 -5.522 -5.873 168 1HG GLU 21 2HG GLU 21 -11.169 -5.802 -4.031 169 2HG GLU 21 1HG GLU 21 -11.234 -4.063 -4.321 170 H LYS 22 H LYS 22 -10.201 -7.256 -8.526 171 HA LYS 22 HA LYS 22 -12.736 -7.388 -10.073 172 1HB LYS 22 2HB LYS 22 -10.607 -6.297 -10.995 173 2HB LYS 22 1HB LYS 22 -9.946 -7.929 -11.112 174 1HG LYS 22 2HG LYS 22 -12.310 -8.364 -12.310 175 2HG LYS 22 1HG LYS 22 -12.128 -6.652 -12.691 176 1HD LYS 22 2HD LYS 22 -9.913 -7.086 -13.666 177 2HD LYS 22 1HD LYS 22 -10.058 -8.796 -13.257 178 1HE LYS 22 2HE LYS 22 -11.560 -9.213 -14.941 179 2HE LYS 22 1HE LYS 22 -12.292 -7.613 -14.826 180 1HZ LYS 22 1HZ LYS 22 -9.597 -8.148 -15.946 181 2HZ LYS 22 2HZ LYS 22 -10.419 -6.662 -15.942 182 3HZ LYS 22 3HZ LYS 22 -10.998 -7.955 -16.880 183 H GLY 23 H GLY 23 -9.848 -9.450 -9.587 184 1HA GLY 23 2HA GLY 23 -11.059 -11.764 -8.679 185 2HA GLY 23 1HA GLY 23 -11.290 -11.838 -10.426 186 H GLY 24 H GLY 24 -8.579 -10.818 -8.307 187 1HA GLY 24 1HA GLY 24 -6.290 -11.309 -8.475 188 2HA GLY 24 2HA GLY 24 -6.841 -12.957 -8.787 189 H LYS 25 H LYS 25 -7.886 -10.511 -11.005 190 HA LYS 25 HA LYS 25 -6.088 -11.690 -13.062 191 1HB LYS 25 2HB LYS 25 -8.675 -11.528 -13.305 192 2HB LYS 25 1HB LYS 25 -8.381 -9.818 -13.627 193 1HG LYS 25 2HG LYS 25 -7.302 -10.235 -15.626 194 2HG LYS 25 1HG LYS 25 -6.718 -11.815 -15.103 195 1HD LYS 25 2HD LYS 25 -8.380 -12.623 -16.428 196 2HD LYS 25 1HD LYS 25 -9.429 -12.206 -15.073 197 1HE LYS 25 2HE LYS 25 -10.426 -10.553 -16.241 198 2HE LYS 25 1HE LYS 25 -8.874 -9.891 -16.752 199 1HZ LYS 25 1HZ LYS 25 -9.274 -10.713 -18.753 200 2HZ LYS 25 2HZ LYS 25 -10.697 -11.471 -18.219 201 3HZ LYS 25 3HZ LYS 25 -9.208 -12.281 -18.111 202 H HIS 26 H HIS 26 -4.233 -10.401 -12.325 203 HA HIS 26 HA HIS 26 -4.427 -7.483 -12.475 204 1HB HIS 26 2HB HIS 26 -1.786 -7.809 -12.410 205 2HB HIS 26 1HB HIS 26 -2.764 -8.005 -10.960 206 HD1 HIS 26 HD1 HIS 26 -2.491 -10.547 -13.767 207 HD2 HIS 26 HD2 HIS 26 -1.336 -10.100 -9.787 208 HE1 HIS 26 HE1 HIS 26 -1.570 -12.789 -13.032 209 H LYS 27 H LYS 27 -3.426 -6.170 -14.095 210 HA LYS 27 HA LYS 27 -2.632 -7.584 -16.566 211 1HB LYS 27 2HB LYS 27 -4.683 -5.412 -16.205 212 2HB LYS 27 1HB LYS 27 -3.858 -5.632 -17.743 213 1HG LYS 27 2HG LYS 27 -4.720 -8.194 -16.778 214 2HG LYS 27 1HG LYS 27 -6.089 -7.083 -16.757 215 1HD LYS 27 2HD LYS 27 -5.957 -6.673 -19.065 216 2HD LYS 27 1HD LYS 27 -4.282 -7.220 -19.160 217 1HE LYS 27 2HE LYS 27 -5.409 -9.498 -18.287 218 2HE LYS 27 1HE LYS 27 -6.796 -8.815 -19.135 219 1HZ LYS 27 1HZ LYS 27 -4.155 -8.854 -20.430 220 2HZ LYS 27 2HZ LYS 27 -5.698 -8.837 -21.139 221 3HZ LYS 27 3HZ LYS 27 -5.106 -10.257 -20.419 222 H THR 28 H THR 28 -3.093 -4.120 -16.088 223 HA THR 28 HA THR 28 -0.316 -3.635 -16.890 224 HB THR 28 HB THR 28 -2.554 -1.757 -16.081 225 HG1 THR 28 HG1 THR 28 -2.799 -2.860 -18.070 226 1HG2 THR 28 1HG2 THR 28 0.173 -1.139 -17.251 227 2HG2 THR 28 2HG2 THR 28 -0.328 -0.800 -15.594 228 3HG2 THR 28 3HG2 THR 28 -1.107 0.033 -16.940 229 H GLY 29 H GLY 29 -2.013 -4.069 -13.950 230 1HA GLY 29 2HA GLY 29 0.378 -3.082 -12.463 231 2HA GLY 29 1HA GLY 29 -1.240 -2.697 -11.892 232 HA PRO 30 HA PRO 30 0.333 -7.068 -10.600 233 1HB PRO 30 2HB PRO 30 1.448 -6.430 -8.178 234 2HB PRO 30 1HB PRO 30 2.369 -6.586 -9.677 235 1HG PRO 30 2HG PRO 30 1.461 -4.090 -8.276 236 2HG PRO 30 1HG PRO 30 2.956 -4.387 -9.185 237 1HD PRO 30 2HD PRO 30 0.812 -3.008 -10.241 238 2HD PRO 30 1HD PRO 30 1.976 -3.920 -11.222 239 H ASN 31 H ASN 31 -1.239 -8.208 -9.628 240 HA ASN 31 HA ASN 31 -3.580 -7.075 -8.574 241 1HB ASN 31 2HB ASN 31 -3.304 -9.458 -9.317 242 2HB ASN 31 1HB ASN 31 -2.444 -9.777 -7.809 243 1HD2 ASN 31 1HD2 ASN 31 -5.412 -7.818 -8.465 244 2HD2 ASN 31 2HD2 ASN 31 -6.382 -8.656 -7.354 245 H LEU 32 H LEU 32 -3.417 -5.599 -6.938 246 HA LEU 32 HA LEU 32 -1.668 -6.035 -4.649 247 1HB LEU 32 2HB LEU 32 -3.324 -3.856 -5.721 248 2HB LEU 32 1HB LEU 32 -3.325 -3.945 -3.962 249 HG LEU 32 HG LEU 32 -1.046 -3.509 -3.799 250 1HD1 LEU 32 1HD1 LEU 32 -0.941 -4.973 -6.370 251 2HD1 LEU 32 2HD1 LEU 32 0.174 -5.016 -5.006 252 3HD1 LEU 32 3HD1 LEU 32 0.264 -3.701 -6.178 253 1HD2 LEU 32 1HD2 LEU 32 -1.709 -1.449 -4.611 254 2HD2 LEU 32 2HD2 LEU 32 -2.268 -2.117 -6.146 255 3HD2 LEU 32 3HD2 LEU 32 -0.542 -1.887 -5.859 256 H HIS 33 H HIS 33 -3.539 -8.155 -4.881 257 HA HIS 33 HA HIS 33 -5.677 -7.614 -2.923 258 1HB HIS 33 2HB HIS 33 -5.810 -9.160 -5.041 259 2HB HIS 33 1HB HIS 33 -5.008 -10.341 -4.005 260 HD1 HIS 33 HD1 HIS 33 -6.281 -10.316 -1.423 261 HD2 HIS 33 HD2 HIS 33 -8.535 -9.461 -4.824 262 HE1 HIS 33 HE1 HIS 33 -8.703 -10.707 -0.794 263 H GLY 34 H GLY 34 -3.500 -7.114 -1.548 264 1HA GLY 34 2HA GLY 34 -3.193 -8.155 0.765 265 2HA GLY 34 1HA GLY 34 -2.803 -9.639 -0.105 266 H LEU 35 H LEU 35 -1.743 -6.590 -1.427 267 HA LEU 35 HA LEU 35 0.974 -7.347 -1.583 268 1HB LEU 35 2HB LEU 35 0.034 -5.503 -2.912 269 2HB LEU 35 1HB LEU 35 -0.193 -4.552 -1.444 270 HG LEU 35 HG LEU 35 2.481 -5.354 -1.334 271 1HD1 LEU 35 1HD1 LEU 35 1.861 -4.327 -4.115 272 2HD1 LEU 35 2HD1 LEU 35 2.190 -6.022 -3.755 273 3HD1 LEU 35 3HD1 LEU 35 3.435 -4.803 -3.478 274 1HD2 LEU 35 1HD2 LEU 35 2.194 -3.195 -0.636 275 2HD2 LEU 35 2HD2 LEU 35 0.928 -2.875 -1.820 276 3HD2 LEU 35 3HD2 LEU 35 2.622 -2.813 -2.303 277 H PHE 36 H PHE 36 -0.867 -6.100 1.073 278 HA PHE 36 HA PHE 36 1.341 -5.043 2.611 279 1HB PHE 36 2HB PHE 36 -1.473 -5.903 3.270 280 2HB PHE 36 1HB PHE 36 -0.349 -5.427 4.543 281 HD1 PHE 36 HD1 PHE 36 -1.547 -4.240 1.186 282 HD2 PHE 36 HD2 PHE 36 -0.242 -3.176 5.138 283 HE1 PHE 36 HE1 PHE 36 -1.998 -1.852 0.692 284 HE2 PHE 36 HE2 PHE 36 -0.693 -0.788 4.642 285 HZ PHE 36 HZ PHE 36 -1.571 -0.127 2.421 286 H GLY 37 H GLY 37 2.750 -6.112 3.940 287 1HA GLY 37 2HA GLY 37 3.765 -7.877 5.109 288 2HA GLY 37 1HA GLY 37 2.188 -8.664 5.151 289 H ARG 38 H ARG 38 3.074 -7.827 1.989 290 HA ARG 38 HA ARG 38 4.153 -10.580 1.528 291 1HB ARG 38 2HB ARG 38 1.822 -10.371 0.714 292 2HB ARG 38 1HB ARG 38 2.302 -8.997 -0.284 293 1HG ARG 38 2HG ARG 38 4.001 -10.513 -1.388 294 2HG ARG 38 1HG ARG 38 3.257 -11.860 -0.527 295 1HD ARG 38 2HD ARG 38 2.311 -11.669 -2.787 296 2HD ARG 38 1HD ARG 38 1.078 -11.315 -1.575 297 HE ARG 38 HE ARG 38 0.907 -9.206 -2.590 298 1HH1 ARG 38 1HH1 ARG 38 2.741 -10.178 -4.844 299 2HH1 ARG 38 2HH1 ARG 38 3.950 -8.937 -4.839 300 1HH2 ARG 38 1HH2 ARG 38 3.056 -7.713 -1.719 301 2HH2 ARG 38 2HH2 ARG 38 4.129 -7.542 -3.069 302 H LYS 39 H LYS 39 6.194 -10.478 0.742 303 HA LYS 39 HA LYS 39 7.430 -8.032 -0.101 304 1HB LYS 39 2HB LYS 39 9.269 -9.549 -0.910 305 2HB LYS 39 1HB LYS 39 8.791 -9.848 0.762 306 1HG LYS 39 2HG LYS 39 7.093 -11.430 -0.874 307 2HG LYS 39 1HG LYS 39 8.740 -11.666 -1.463 308 1HD LYS 39 2HD LYS 39 9.473 -12.116 0.879 309 2HD LYS 39 1HD LYS 39 7.792 -11.990 1.400 310 1HE LYS 39 2HE LYS 39 8.769 -13.943 -0.702 311 2HE LYS 39 1HE LYS 39 8.542 -14.355 0.997 312 1HZ LYS 39 1HZ LYS 39 6.604 -14.924 -0.342 313 2HZ LYS 39 2HZ LYS 39 6.435 -13.300 -0.811 314 3HZ LYS 39 3HZ LYS 39 6.224 -13.745 0.816 315 H THR 40 H THR 40 8.298 -7.638 -2.320 316 HA THR 40 HA THR 40 6.225 -7.853 -4.304 317 HB THR 40 HB THR 40 7.603 -5.987 -4.621 318 HG1 THR 40 HG1 THR 40 9.085 -7.580 -6.335 319 1HG2 THR 40 1HG2 THR 40 9.437 -6.317 -3.225 320 2HG2 THR 40 2HG2 THR 40 10.181 -6.419 -4.819 321 3HG2 THR 40 3HG2 THR 40 9.811 -7.892 -3.925 322 H GLY 41 H GLY 41 6.932 -8.707 -6.616 323 1HA GLY 41 2HA GLY 41 7.372 -10.576 -7.949 324 2HA GLY 41 1HA GLY 41 8.708 -10.912 -6.851 325 H GLN 42 H GLN 42 5.414 -11.716 -7.676 326 HA GLN 42 HA GLN 42 5.616 -14.147 -6.051 327 1HB GLN 42 2HB GLN 42 4.391 -11.883 -4.912 328 2HB GLN 42 1HB GLN 42 3.068 -12.935 -5.417 329 1HG GLN 42 2HG GLN 42 3.899 -13.420 -3.095 330 2HG GLN 42 1HG GLN 42 4.006 -14.803 -4.186 331 1HE2 GLN 42 1HE2 GLN 42 5.983 -12.138 -2.813 332 2HE2 GLN 42 2HE2 GLN 42 7.463 -12.953 -2.959 333 H ALA 43 H ALA 43 3.097 -12.152 -7.663 334 HA ALA 43 HA ALA 43 1.500 -14.269 -8.578 335 1HB ALA 43 1HB ALA 43 0.578 -12.729 -10.175 336 2HB ALA 43 2HB ALA 43 2.047 -11.754 -10.171 337 3HB ALA 43 3HB ALA 43 1.006 -11.787 -8.748 338 HA PRO 44 HA PRO 44 4.259 -16.147 -11.531 339 1HB PRO 44 2HB PRO 44 2.506 -18.107 -12.323 340 2HB PRO 44 1HB PRO 44 3.425 -18.174 -10.809 341 1HG PRO 44 2HG PRO 44 0.531 -17.594 -11.222 342 2HG PRO 44 1HG PRO 44 1.350 -18.265 -9.801 343 1HD PRO 44 2HD PRO 44 0.475 -15.584 -10.112 344 2HD PRO 44 1HD PRO 44 1.552 -16.196 -8.838 345 H GLY 45 H GLY 45 4.495 -16.017 -13.803 346 1HA GLY 45 2HA GLY 45 3.802 -15.678 -16.062 347 2HA GLY 45 1HA GLY 45 2.149 -15.435 -15.490 348 H TYR 46 H TYR 46 2.480 -13.446 -13.628 349 HA TYR 46 HA TYR 46 2.942 -11.101 -15.323 350 1HB TYR 46 2HB TYR 46 1.074 -11.294 -13.650 351 2HB TYR 46 1HB TYR 46 2.274 -11.283 -12.368 352 HD1 TYR 46 HD1 TYR 46 3.937 -9.118 -14.312 353 HD2 TYR 46 HD2 TYR 46 0.110 -9.325 -12.416 354 HE1 TYR 46 HE1 TYR 46 3.855 -6.672 -14.260 355 HE2 TYR 46 HE2 TYR 46 0.050 -6.861 -12.353 356 HH TYR 46 HH TYR 46 1.908 -4.913 -14.182 357 H SER 47 H SER 47 5.015 -10.411 -15.595 358 HA SER 47 HA SER 47 7.107 -11.005 -13.641 359 1HB SER 47 2HB SER 47 7.014 -10.231 -16.368 360 2HB SER 47 1HB SER 47 7.832 -8.927 -15.513 361 HG SER 47 HG SER 47 9.328 -10.503 -16.081 362 H TYR 48 H TYR 48 5.922 -9.929 -11.837 363 HA TYR 48 HA TYR 48 5.111 -7.286 -11.606 364 1HB TYR 48 2HB TYR 48 6.340 -9.267 -9.778 365 2HB TYR 48 1HB TYR 48 6.354 -7.602 -9.227 366 HD1 TYR 48 HD1 TYR 48 3.734 -9.159 -11.362 367 HD2 TYR 48 HD2 TYR 48 4.830 -7.778 -7.461 368 HE1 TYR 48 HE1 TYR 48 1.390 -9.440 -10.600 369 HE2 TYR 48 HE2 TYR 48 2.484 -8.050 -6.694 370 HH TYR 48 HH TYR 48 0.325 -8.320 -7.448 371 H THR 49 H THR 49 6.497 -5.583 -10.225 372 HA THR 49 HA THR 49 8.630 -4.662 -11.873 373 HB THR 49 HB THR 49 9.144 -3.532 -9.399 374 HG1 THR 49 HG1 THR 49 7.505 -4.286 -8.272 375 1HG2 THR 49 1HG2 THR 49 8.852 -1.903 -10.945 376 2HG2 THR 49 2HG2 THR 49 7.164 -1.929 -10.433 377 3HG2 THR 49 3HG2 THR 49 7.670 -2.849 -11.849 378 H ALA 50 H ALA 50 10.037 -6.503 -12.129 379 HA ALA 50 HA ALA 50 11.220 -8.074 -10.163 380 1HB ALA 50 1HB ALA 50 11.820 -8.654 -12.354 381 2HB ALA 50 2HB ALA 50 13.312 -7.941 -11.740 382 3HB ALA 50 3HB ALA 50 12.246 -6.997 -12.779 383 H ALA 51 H ALA 51 12.171 -4.795 -11.183 384 HA ALA 51 HA ALA 51 14.529 -4.471 -9.726 385 1HB ALA 51 1HB ALA 51 13.740 -2.657 -11.093 386 2HB ALA 51 2HB ALA 51 13.789 -2.059 -9.434 387 3HB ALA 51 3HB ALA 51 12.250 -2.525 -10.160 388 H ASN 52 H ASN 52 11.356 -3.391 -8.433 389 HA ASN 52 HA ASN 52 11.981 -3.045 -5.782 390 1HB ASN 52 2HB ASN 52 9.613 -3.523 -7.264 391 2HB ASN 52 1HB ASN 52 9.572 -4.625 -5.888 392 1HD2 ASN 52 1HD2 ASN 52 11.077 -2.931 -4.054 393 2HD2 ASN 52 2HD2 ASN 52 10.092 -1.603 -3.674 394 H LYS 53 H LYS 53 11.222 -6.190 -7.298 395 HA LYS 53 HA LYS 53 11.369 -7.869 -5.085 396 1HB LYS 53 2HB LYS 53 11.383 -8.202 -7.862 397 2HB LYS 53 1HB LYS 53 12.852 -9.009 -7.311 398 1HG LYS 53 2HG LYS 53 11.360 -10.086 -5.501 399 2HG LYS 53 1HG LYS 53 9.999 -9.550 -6.487 400 1HD LYS 53 2HD LYS 53 10.347 -11.647 -7.403 401 2HD LYS 53 1HD LYS 53 11.408 -10.687 -8.434 402 1HE LYS 53 2HE LYS 53 13.234 -11.178 -6.659 403 2HE LYS 53 1HE LYS 53 12.151 -12.456 -6.107 404 1HZ LYS 53 1HZ LYS 53 12.492 -13.671 -7.956 405 2HZ LYS 53 2HZ LYS 53 13.947 -12.797 -8.027 406 3HZ LYS 53 3HZ LYS 53 12.621 -12.319 -8.972 407 H ASN 54 H ASN 54 14.179 -7.126 -7.190 408 HA ASN 54 HA ASN 54 16.080 -8.275 -5.401 409 1HB ASN 54 2HB ASN 54 16.703 -7.931 -7.701 410 2HB ASN 54 1HB ASN 54 16.380 -6.201 -7.584 411 1HD2 ASN 54 1HD2 ASN 54 18.527 -5.431 -7.947 412 2HD2 ASN 54 2HD2 ASN 54 19.824 -5.778 -6.908 413 H LYS 55 H LYS 55 14.446 -5.222 -5.352 414 HA LYS 55 HA LYS 55 16.367 -3.709 -3.880 415 1HB LYS 55 2HB LYS 55 14.273 -2.819 -4.994 416 2HB LYS 55 1HB LYS 55 13.359 -3.481 -3.639 417 1HG LYS 55 2HG LYS 55 13.763 -1.260 -2.972 418 2HG LYS 55 1HG LYS 55 15.040 -2.162 -2.155 419 1HD LYS 55 2HD LYS 55 16.062 -1.559 -4.709 420 2HD LYS 55 1HD LYS 55 15.281 -0.080 -4.149 421 1HE LYS 55 2HE LYS 55 16.535 -0.751 -1.876 422 2HE LYS 55 1HE LYS 55 17.630 -1.527 -3.020 423 1HZ LYS 55 1HZ LYS 55 18.418 0.429 -3.665 424 2HZ LYS 55 2HZ LYS 55 17.607 1.118 -2.340 425 3HZ LYS 55 3HZ LYS 55 16.867 1.087 -3.870 426 H GLY 56 H GLY 56 14.667 -6.496 -2.971 427 1HA GLY 56 1HA GLY 56 14.290 -7.511 -0.882 428 2HA GLY 56 2HA GLY 56 15.737 -6.637 -0.373 429 H ILE 57 H ILE 57 12.459 -5.601 -1.337 430 HA ILE 57 HA ILE 57 12.381 -3.964 1.168 431 HB ILE 57 HB ILE 57 12.365 -2.852 -1.175 432 1HG1 ILE 57 2HG1 ILE 57 11.765 -1.740 0.988 433 2HG1 ILE 57 1HG1 ILE 57 10.867 -1.108 -0.392 434 1HG2 ILE 57 1HG2 ILE 57 10.747 -4.294 -2.267 435 2HG2 ILE 57 2HG2 ILE 57 10.052 -2.679 -2.131 436 3HG2 ILE 57 3HG2 ILE 57 9.543 -3.951 -1.024 437 1HD1 ILE 57 1HD1 ILE 57 9.891 -2.600 1.954 438 2HD1 ILE 57 2HD1 ILE 57 9.240 -3.160 0.415 439 3HD1 ILE 57 3HD1 ILE 57 9.037 -1.477 0.899 440 H ILE 58 H ILE 58 10.680 -4.262 2.563 441 HA ILE 58 HA ILE 58 8.690 -6.359 1.838 442 HB ILE 58 HB ILE 58 10.049 -6.453 4.013 443 1HG1 ILE 58 2HG1 ILE 58 7.915 -7.703 3.589 444 2HG1 ILE 58 1HG1 ILE 58 8.155 -7.292 5.287 445 1HG2 ILE 58 1HG2 ILE 58 9.554 -4.971 5.773 446 2HG2 ILE 58 2HG2 ILE 58 8.067 -4.412 5.006 447 3HG2 ILE 58 3HG2 ILE 58 9.632 -3.912 4.364 448 1HD1 ILE 58 1HD1 ILE 58 5.958 -6.609 5.007 449 2HD1 ILE 58 2HD1 ILE 58 6.203 -6.159 3.320 450 3HD1 ILE 58 3HD1 ILE 58 6.802 -5.113 4.607 451 H TRP 59 H TRP 59 6.843 -5.548 0.976 452 HA TRP 59 HA TRP 59 6.100 -2.846 0.935 453 1HB TRP 59 2HB TRP 59 4.457 -5.359 0.645 454 2HB TRP 59 1HB TRP 59 3.765 -3.749 0.429 455 HD1 TRP 59 HD1 TRP 59 4.847 -6.281 -1.707 456 HE1 TRP 59 HE1 TRP 59 6.010 -5.419 -3.838 457 HE3 TRP 59 HE3 TRP 59 5.876 -1.486 -0.279 458 HZ2 TRP 59 HZ2 TRP 59 7.216 -3.016 -4.806 459 HZ3 TRP 59 HZ3 TRP 59 7.032 0.066 -1.822 460 HH2 TRP 59 HH2 TRP 59 7.703 -0.692 -4.087 461 H GLY 60 H GLY 60 5.819 -1.622 2.684 462 1HA GLY 60 1HA GLY 60 3.904 -2.574 4.766 463 2HA GLY 60 2HA GLY 60 5.419 -1.799 5.237 464 H GLU 61 H GLU 61 3.913 -0.175 6.263 465 HA GLU 61 HA GLU 61 2.289 1.501 4.527 466 1HB GLU 61 2HB GLU 61 3.275 2.118 7.326 467 2HB GLU 61 1HB GLU 61 1.892 2.841 6.501 468 1HG GLU 61 2HG GLU 61 0.794 0.626 6.410 469 2HG GLU 61 1HG GLU 61 2.165 -0.082 7.264 470 H ASP 62 H ASP 62 5.188 2.311 6.487 471 HA ASP 62 HA ASP 62 5.684 4.754 5.091 472 1HB ASP 62 2HB ASP 62 6.764 3.432 7.310 473 2HB ASP 62 1HB ASP 62 8.100 3.550 6.164 474 H THR 63 H THR 63 6.918 1.456 4.631 475 HA THR 63 HA THR 63 8.904 2.060 2.698 476 HB THR 63 HB THR 63 7.833 -0.409 1.926 477 HG1 THR 63 HG1 THR 63 7.839 -0.298 4.737 478 1HG2 THR 63 1HG2 THR 63 10.167 -0.144 2.181 479 2HG2 THR 63 2HG2 THR 63 9.715 -1.251 3.477 480 3HG2 THR 63 3HG2 THR 63 10.006 0.452 3.832 481 H LEU 64 H LEU 64 5.411 1.516 2.331 482 HA LEU 64 HA LEU 64 5.525 1.651 -0.577 483 1HB LEU 64 2HB LEU 64 3.588 0.961 1.366 484 2HB LEU 64 1HB LEU 64 2.928 2.330 0.473 485 HG LEU 64 HG LEU 64 4.021 -0.228 -0.735 486 1HD1 LEU 64 1HD1 LEU 64 1.720 -0.229 0.404 487 2HD1 LEU 64 2HD1 LEU 64 1.765 -0.752 -1.279 488 3HD1 LEU 64 3HD1 LEU 64 1.210 0.873 -0.874 489 1HD2 LEU 64 1HD2 LEU 64 2.530 1.431 -2.548 490 2HD2 LEU 64 2HD2 LEU 64 4.207 0.905 -2.675 491 3HD2 LEU 64 3HD2 LEU 64 3.813 2.396 -1.821 492 H MET 65 H MET 65 4.990 3.949 2.046 493 HA MET 65 HA MET 65 3.910 6.103 0.579 494 1HB MET 65 2HB MET 65 4.380 5.889 3.121 495 2HB MET 65 1HB MET 65 5.988 6.498 2.728 496 1HG MET 65 2HG MET 65 4.482 8.285 1.365 497 2HG MET 65 1HG MET 65 3.368 7.897 2.676 498 1HE MET 65 1HE MET 65 3.792 10.684 4.037 499 2HE MET 65 2HE MET 65 3.857 10.392 2.301 500 3HE MET 65 3HE MET 65 5.146 11.306 3.083 501 H GLU 66 H GLU 66 7.285 5.072 0.957 502 HA GLU 66 HA GLU 66 8.343 7.309 -0.542 503 1HB GLU 66 2HB GLU 66 9.554 5.778 1.178 504 2HB GLU 66 1HB GLU 66 9.772 4.684 -0.189 505 1HG GLU 66 2HG GLU 66 11.265 6.067 -1.232 506 2HG GLU 66 1HG GLU 66 10.442 7.530 -0.692 507 H TYR 67 H TYR 67 7.804 3.852 -1.307 508 HA TYR 67 HA TYR 67 8.710 3.972 -4.000 509 1HB TYR 67 2HB TYR 67 8.289 1.828 -2.923 510 2HB TYR 67 1HB TYR 67 6.577 2.216 -2.748 511 HD1 TYR 67 HD1 TYR 67 5.135 2.452 -4.783 512 HD2 TYR 67 HD2 TYR 67 9.180 1.032 -5.009 513 HE1 TYR 67 HE1 TYR 67 4.691 1.557 -7.050 514 HE2 TYR 67 HE2 TYR 67 8.737 0.137 -7.279 515 HH TYR 67 HH TYR 67 6.728 0.949 -9.213 516 H LEU 68 H LEU 68 5.867 5.275 -2.544 517 HA LEU 68 HA LEU 68 4.452 5.439 -5.137 518 1HB LEU 68 2HB LEU 68 3.677 5.490 -2.365 519 2HB LEU 68 1HB LEU 68 3.097 6.953 -3.164 520 HG LEU 68 HG LEU 68 2.070 5.595 -4.937 521 1HD1 LEU 68 1HD1 LEU 68 2.345 3.037 -3.529 522 2HD1 LEU 68 2HD1 LEU 68 3.883 3.663 -4.121 523 3HD1 LEU 68 3HD1 LEU 68 2.548 3.401 -5.243 524 1HD2 LEU 68 1HD2 LEU 68 1.168 5.899 -2.355 525 2HD2 LEU 68 2HD2 LEU 68 1.041 4.154 -2.579 526 3HD2 LEU 68 3HD2 LEU 68 0.204 5.248 -3.681 527 H GLU 69 H GLU 69 6.028 7.556 -2.769 528 HA GLU 69 HA GLU 69 5.372 10.041 -3.982 529 1HB GLU 69 2HB GLU 69 6.679 9.362 -1.755 530 2HB GLU 69 1HB GLU 69 8.075 9.615 -2.792 531 1HG GLU 69 2HG GLU 69 6.375 11.788 -3.324 532 2HG GLU 69 1HG GLU 69 6.329 11.588 -1.573 533 H ASN 70 H ASN 70 7.480 7.478 -4.848 534 HA ASN 70 HA ASN 70 8.003 8.544 -7.467 535 1HB ASN 70 2HB ASN 70 10.024 8.985 -5.320 536 2HB ASN 70 1HB ASN 70 10.627 8.442 -6.886 537 1HD2 ASN 70 1HD2 ASN 70 10.017 11.229 -5.186 538 2HD2 ASN 70 2HD2 ASN 70 9.710 12.287 -6.478 539 HA PRO 71 HA PRO 71 8.396 4.039 -7.076 540 1HB PRO 71 2HB PRO 71 7.106 3.545 -9.465 541 2HB PRO 71 1HB PRO 71 6.264 3.750 -7.922 542 1HG PRO 71 2HG PRO 71 6.466 5.641 -10.212 543 2HG PRO 71 1HG PRO 71 5.220 5.524 -8.961 544 1HD PRO 71 2HD PRO 71 7.308 7.436 -9.048 545 2HD PRO 71 1HD PRO 71 6.253 7.103 -7.660 546 H LYS 72 H LYS 72 9.110 6.202 -9.767 547 HA LYS 72 HA LYS 72 10.871 4.288 -11.083 548 1HB LYS 72 2HB LYS 72 9.613 5.977 -12.385 549 2HB LYS 72 1HB LYS 72 10.500 7.258 -11.560 550 1HG LYS 72 2HG LYS 72 12.396 6.908 -12.779 551 2HG LYS 72 1HG LYS 72 12.181 5.157 -12.794 552 1HD LYS 72 2HD LYS 72 11.521 5.383 -14.943 553 2HD LYS 72 1HD LYS 72 10.040 6.097 -14.306 554 1HE LYS 72 2HE LYS 72 10.622 7.950 -15.468 555 2HE LYS 72 1HE LYS 72 11.825 8.208 -14.204 556 1HZ LYS 72 1HZ LYS 72 12.635 8.160 -16.594 557 2HZ LYS 72 2HZ LYS 72 12.373 6.481 -16.540 558 3HZ LYS 72 3HZ LYS 72 13.482 7.207 -15.476 559 H LYS 73 H LYS 73 11.156 6.866 -8.734 560 HA LYS 73 HA LYS 73 14.064 7.062 -9.033 561 1HB LYS 73 2HB LYS 73 13.875 8.926 -7.749 562 2HB LYS 73 1HB LYS 73 12.143 8.747 -8.005 563 1HG LYS 73 2HG LYS 73 11.914 7.523 -5.908 564 2HG LYS 73 1HG LYS 73 13.662 7.526 -5.679 565 1HD LYS 73 2HD LYS 73 13.566 10.057 -5.702 566 2HD LYS 73 1HD LYS 73 11.809 9.921 -5.658 567 1HE LYS 73 2HE LYS 73 11.813 9.455 -3.451 568 2HE LYS 73 1HE LYS 73 13.061 8.225 -3.651 569 1HZ LYS 73 1HZ LYS 73 13.460 11.153 -3.385 570 2HZ LYS 73 2HZ LYS 73 14.699 10.060 -3.783 571 3HZ LYS 73 3HZ LYS 73 13.919 9.953 -2.278 572 H TYR 74 H TYR 74 11.807 5.619 -6.684 573 HA TYR 74 HA TYR 74 13.922 4.535 -5.025 574 1HB TYR 74 2HB TYR 74 11.672 4.910 -4.116 575 2HB TYR 74 1HB TYR 74 10.993 3.775 -5.281 576 HD1 TYR 74 HD1 TYR 74 10.070 2.439 -3.384 577 HD2 TYR 74 HD2 TYR 74 14.292 3.056 -3.892 578 HE1 TYR 74 HE1 TYR 74 10.532 0.569 -1.825 579 HE2 TYR 74 HE2 TYR 74 14.751 1.183 -2.333 580 HH TYR 74 HH TYR 74 12.570 -0.050 -0.252 581 H ILE 75 H ILE 75 11.502 2.803 -7.021 582 HA ILE 75 HA ILE 75 13.480 0.657 -7.431 583 HB ILE 75 HB ILE 75 10.560 0.750 -8.201 584 1HG1 ILE 75 2HG1 ILE 75 10.863 1.184 -5.779 585 2HG1 ILE 75 1HG1 ILE 75 10.150 -0.403 -6.065 586 1HG2 ILE 75 1HG2 ILE 75 10.764 -1.582 -8.424 587 2HG2 ILE 75 2HG2 ILE 75 12.274 -1.622 -7.512 588 3HG2 ILE 75 3HG2 ILE 75 12.243 -0.951 -9.143 589 1HD1 ILE 75 1HD1 ILE 75 12.995 0.258 -5.313 590 2HD1 ILE 75 2HD1 ILE 75 12.561 -1.301 -6.013 591 3HD1 ILE 75 3HD1 ILE 75 11.864 -0.801 -4.473 592 HA PRO 76 HA PRO 76 13.934 2.577 -11.493 593 1HB PRO 76 2HB PRO 76 16.307 1.310 -12.051 594 2HB PRO 76 1HB PRO 76 16.196 2.783 -11.070 595 1HG PRO 76 2HG PRO 76 16.700 -0.020 -10.191 596 2HG PRO 76 1HG PRO 76 17.174 1.501 -9.418 597 1HD PRO 76 2HD PRO 76 15.001 -0.151 -8.651 598 2HD PRO 76 1HD PRO 76 15.302 1.510 -8.096 599 H GLY 77 H GLY 77 11.993 0.872 -11.722 600 1HA GLY 77 2HA GLY 77 12.669 -0.833 -13.972 601 2HA GLY 77 1HA GLY 77 12.286 -1.764 -12.525 602 H THR 78 H THR 78 10.223 -0.278 -11.399 603 HA THR 78 HA THR 78 7.945 -1.147 -12.752 604 HB THR 78 HB THR 78 8.036 -0.096 -10.417 605 HG1 THR 78 HG1 THR 78 6.124 -0.475 -11.984 606 1HG2 THR 78 1HG2 THR 78 8.187 2.167 -10.146 607 2HG2 THR 78 2HG2 THR 78 7.277 2.504 -11.618 608 3HG2 THR 78 3HG2 THR 78 8.992 2.101 -11.715 609 H LYS 79 H LYS 79 6.251 0.258 -13.807 610 HA LYS 79 HA LYS 79 7.467 2.383 -15.501 611 1HB LYS 79 2HB LYS 79 5.586 0.243 -16.541 612 2HB LYS 79 1HB LYS 79 6.416 1.482 -17.485 613 1HG LYS 79 2HG LYS 79 8.043 -0.399 -15.808 614 2HG LYS 79 1HG LYS 79 7.408 -0.961 -17.355 615 1HD LYS 79 2HD LYS 79 8.462 1.633 -17.806 616 2HD LYS 79 1HD LYS 79 9.667 0.752 -16.864 617 1HE LYS 79 2HE LYS 79 8.493 -0.918 -18.945 618 2HE LYS 79 1HE LYS 79 9.249 0.528 -19.615 619 1HZ LYS 79 1HZ LYS 79 10.472 -1.775 -18.499 620 2HZ LYS 79 2HZ LYS 79 10.965 -0.381 -17.663 621 3HZ LYS 79 3HZ LYS 79 11.184 -0.488 -19.344 622 H MET 80 H MET 80 5.362 1.871 -13.155 623 HA MET 80 HA MET 80 2.940 2.970 -14.353 624 1HB MET 80 2HB MET 80 2.053 3.013 -12.067 625 2HB MET 80 1HB MET 80 2.841 1.485 -12.403 626 1HG MET 80 2HG MET 80 4.761 2.069 -11.168 627 2HG MET 80 1HG MET 80 4.251 3.733 -11.016 628 1HE MET 80 1HE MET 80 3.379 4.101 -7.976 629 2HE MET 80 2HE MET 80 1.800 4.215 -8.748 630 3HE MET 80 3HE MET 80 3.243 4.689 -9.639 631 H ILE 81 H ILE 81 2.702 5.014 -14.872 632 HA ILE 81 HA ILE 81 4.477 7.071 -13.691 633 HB ILE 81 HB ILE 81 4.109 6.910 -16.189 634 1HG1 ILE 81 2HG1 ILE 81 3.028 9.556 -15.723 635 2HG1 ILE 81 1HG1 ILE 81 4.236 9.164 -14.499 636 1HG2 ILE 81 1HG2 ILE 81 2.000 6.750 -16.957 637 2HG2 ILE 81 2HG2 ILE 81 1.651 8.352 -16.307 638 3HG2 ILE 81 3HG2 ILE 81 1.379 6.919 -15.315 639 1HD1 ILE 81 1HD1 ILE 81 4.696 8.761 -17.464 640 2HD1 ILE 81 2HD1 ILE 81 5.894 8.680 -16.172 641 3HD1 ILE 81 3HD1 ILE 81 5.166 10.227 -16.603 642 H PHE 82 H PHE 82 2.361 5.852 -12.122 643 HA PHE 82 HA PHE 82 0.011 7.432 -11.949 644 1HB PHE 82 2HB PHE 82 -0.136 5.498 -10.686 645 2HB PHE 82 1HB PHE 82 1.526 5.614 -10.117 646 HD1 PHE 82 HD1 PHE 82 1.840 6.168 -7.881 647 HD2 PHE 82 HD2 PHE 82 -1.648 7.593 -9.936 648 HE1 PHE 82 HE1 PHE 82 1.037 7.232 -5.786 649 HE2 PHE 82 HE2 PHE 82 -2.456 8.654 -7.845 650 HZ PHE 82 HZ PHE 82 -1.115 8.469 -5.769 651 H VAL 83 H VAL 83 3.234 7.889 -10.625 652 HA VAL 83 HA VAL 83 3.149 9.706 -8.661 653 HB VAL 83 HB VAL 83 4.958 11.028 -9.989 654 1HG1 VAL 83 1HG1 VAL 83 6.408 8.817 -9.903 655 2HG1 VAL 83 2HG1 VAL 83 4.966 8.150 -9.136 656 3HG1 VAL 83 3HG1 VAL 83 5.794 9.529 -8.412 657 1HG2 VAL 83 1HG2 VAL 83 5.344 8.763 -11.758 658 2HG2 VAL 83 2HG2 VAL 83 5.263 10.479 -12.159 659 3HG2 VAL 83 3HG2 VAL 83 3.783 9.525 -12.063 660 H GLY 84 H GLY 84 1.665 11.258 -8.276 661 1HA GLY 84 2HA GLY 84 1.527 13.716 -9.581 662 2HA GLY 84 1HA GLY 84 0.300 12.720 -10.368 663 H ILE 85 H ILE 85 1.307 12.636 -6.962 664 HA ILE 85 HA ILE 85 -1.533 13.097 -6.211 665 HB ILE 85 HB ILE 85 0.785 12.166 -4.492 666 1HG1 ILE 85 2HG1 ILE 85 -0.827 10.006 -4.784 667 2HG1 ILE 85 1HG1 ILE 85 -1.044 10.763 -6.363 668 1HG2 ILE 85 1HG2 ILE 85 -1.348 11.243 -3.228 669 2HG2 ILE 85 2HG2 ILE 85 -2.157 12.561 -4.077 670 3HG2 ILE 85 3HG2 ILE 85 -0.819 12.906 -2.982 671 1HD1 ILE 85 1HD1 ILE 85 0.918 9.846 -6.983 672 2HD1 ILE 85 2HD1 ILE 85 1.246 9.308 -5.336 673 3HD1 ILE 85 3HD1 ILE 85 1.713 10.933 -5.842 674 H LYS 86 H LYS 86 -1.825 14.406 -4.140 675 HA LYS 86 HA LYS 86 0.192 16.362 -3.428 676 1HB LYS 86 2HB LYS 86 -1.080 17.020 -5.739 677 2HB LYS 86 1HB LYS 86 -2.183 17.733 -4.562 678 1HG LYS 86 2HG LYS 86 0.251 18.484 -3.551 679 2HG LYS 86 1HG LYS 86 0.560 18.532 -5.286 680 1HD LYS 86 2HD LYS 86 -1.887 19.726 -5.179 681 2HD LYS 86 1HD LYS 86 -1.203 20.243 -3.638 682 1HE LYS 86 2HE LYS 86 0.728 21.191 -4.732 683 2HE LYS 86 1HE LYS 86 0.252 20.499 -6.283 684 1HZ LYS 86 1HZ LYS 86 -0.300 22.931 -5.852 685 2HZ LYS 86 2HZ LYS 86 -1.518 22.354 -4.817 686 3HZ LYS 86 3HZ LYS 86 -1.539 21.948 -6.466 687 H LYS 87 H LYS 87 -1.714 14.416 -2.225 688 HA LYS 87 HA LYS 87 -2.889 16.276 -0.234 689 1HB LYS 87 2HB LYS 87 -4.425 14.848 -2.205 690 2HB LYS 87 1HB LYS 87 -4.794 14.201 -0.606 691 1HG LYS 87 2HG LYS 87 -5.949 16.051 -0.045 692 2HG LYS 87 1HG LYS 87 -4.616 17.098 -0.534 693 1HD LYS 87 2HD LYS 87 -5.554 17.546 -2.549 694 2HD LYS 87 1HD LYS 87 -6.036 15.867 -2.796 695 1HE LYS 87 2HE LYS 87 -7.965 16.167 -1.326 696 2HE LYS 87 1HE LYS 87 -7.466 17.820 -0.970 697 1HZ LYS 87 1HZ LYS 87 -8.082 16.830 -3.697 698 2HZ LYS 87 2HZ LYS 87 -7.801 18.439 -3.227 699 3HZ LYS 87 3HZ LYS 87 -9.204 17.632 -2.710 700 H LYS 88 H LYS 88 -2.083 15.566 1.680 701 HA LYS 88 HA LYS 88 -0.897 12.994 2.068 702 1HB LYS 88 2HB LYS 88 -1.824 15.175 3.928 703 2HB LYS 88 1HB LYS 88 -1.252 13.636 4.574 704 1HG LYS 88 2HG LYS 88 0.863 13.905 3.312 705 2HG LYS 88 1HG LYS 88 0.296 15.464 2.715 706 1HD LYS 88 2HD LYS 88 -0.053 15.493 5.531 707 2HD LYS 88 1HD LYS 88 1.568 14.867 5.222 708 1HE LYS 88 2HE LYS 88 2.008 17.139 5.179 709 2HE LYS 88 1HE LYS 88 1.638 16.867 3.476 710 1HZ LYS 88 1HZ LYS 88 0.215 18.403 5.416 711 2HZ LYS 88 2HZ LYS 88 -0.795 17.271 4.651 712 3HZ LYS 88 3HZ LYS 88 0.072 18.403 3.725 713 H GLU 89 H GLU 89 -4.136 14.255 2.807 714 HA GLU 89 HA GLU 89 -5.102 11.984 4.219 715 1HB GLU 89 2HB GLU 89 -7.375 12.799 3.234 716 2HB GLU 89 1HB GLU 89 -6.500 13.869 4.331 717 1HG GLU 89 2HG GLU 89 -6.175 15.412 2.716 718 2HG GLU 89 1HG GLU 89 -5.629 14.194 1.564 719 H GLU 90 H GLU 90 -4.481 12.510 0.841 720 HA GLU 90 HA GLU 90 -6.185 10.374 -0.143 721 1HB GLU 90 2HB GLU 90 -4.517 12.394 -1.265 722 2HB GLU 90 1HB GLU 90 -3.955 10.842 -1.884 723 1HG GLU 90 2HG GLU 90 -6.461 10.337 -2.312 724 2HG GLU 90 1HG GLU 90 -6.695 12.075 -2.124 725 H ARG 91 H ARG 91 -2.636 10.648 0.308 726 HA ARG 91 HA ARG 91 -1.993 7.969 -0.325 727 1HB ARG 91 2HB ARG 91 -0.718 9.918 1.612 728 2HB ARG 91 1HB ARG 91 -0.019 8.342 1.242 729 1HG ARG 91 2HG ARG 91 1.015 9.413 -0.470 730 2HG ARG 91 1HG ARG 91 -0.556 9.337 -1.269 731 1HD ARG 91 2HD ARG 91 -0.919 11.562 -1.024 732 2HD ARG 91 1HD ARG 91 -0.309 11.567 0.631 733 HE ARG 91 HE ARG 91 2.007 11.330 -0.739 734 1HH1 ARG 91 1HH2 ARG 91 -0.099 13.815 -0.115 735 2HH1 ARG 91 2HH2 ARG 91 0.469 14.871 -1.364 736 1HH2 ARG 91 1HH1 ARG 91 2.462 12.462 -2.863 737 2HH2 ARG 91 2HH1 ARG 91 1.918 14.105 -2.920 738 H ALA 92 H ALA 92 -2.876 9.403 2.820 739 HA ALA 92 HA ALA 92 -2.655 7.015 4.348 740 1HB ALA 92 1HB ALA 92 -4.457 9.427 4.703 741 2HB ALA 92 2HB ALA 92 -2.890 9.154 5.464 742 3HB ALA 92 3HB ALA 92 -4.273 8.153 5.907 743 H ASP 93 H ASP 93 -5.452 8.435 2.647 744 HA ASP 93 HA ASP 93 -7.353 6.457 3.348 745 1HB ASP 93 2HB ASP 93 -7.072 8.496 1.223 746 2HB ASP 93 1HB ASP 93 -8.121 7.138 0.819 747 H LEU 94 H LEU 94 -4.754 6.432 0.999 748 HA LEU 94 HA LEU 94 -5.650 4.164 -0.523 749 1HB LEU 94 2HB LEU 94 -2.872 5.273 -0.024 750 2HB LEU 94 1HB LEU 94 -3.233 3.999 -1.190 751 HG LEU 94 HG LEU 94 -4.745 6.599 -1.271 752 1HD1 LEU 94 1HD1 LEU 94 -2.565 6.464 -3.183 753 2HD1 LEU 94 2HD1 LEU 94 -1.954 6.427 -1.528 754 3HD1 LEU 94 3HD1 LEU 94 -2.980 7.759 -2.059 755 1HD2 LEU 94 1HD2 LEU 94 -4.861 5.967 -3.691 756 2HD2 LEU 94 2HD2 LEU 94 -5.578 4.751 -2.633 757 3HD2 LEU 94 3HD2 LEU 94 -3.973 4.491 -3.314 758 H ILE 95 H ILE 95 -3.398 4.452 2.240 759 HA ILE 95 HA ILE 95 -2.887 1.633 2.447 760 HB ILE 95 HB ILE 95 -2.844 3.498 4.814 761 1HG1 ILE 95 2HG1 ILE 95 -1.824 4.872 3.163 762 2HG1 ILE 95 1HG1 ILE 95 -0.475 4.069 3.969 763 1HG2 ILE 95 1HG2 ILE 95 -0.602 2.155 5.026 764 2HG2 ILE 95 2HG2 ILE 95 -1.365 1.054 3.879 765 3HG2 ILE 95 3HG2 ILE 95 -2.122 1.364 5.441 766 1HD1 ILE 95 1HD1 ILE 95 -0.729 2.259 2.129 767 2HD1 ILE 95 2HD1 ILE 95 0.014 3.794 1.679 768 3HD1 ILE 95 3HD1 ILE 95 -1.671 3.475 1.266 769 H ALA 96 H ALA 96 -4.928 3.724 4.509 770 HA ALA 96 HA ALA 96 -6.165 1.819 6.079 771 1HB ALA 96 1HB ALA 96 -6.890 4.473 5.070 772 2HB ALA 96 2HB ALA 96 -7.111 3.785 6.679 773 3HB ALA 96 3HB ALA 96 -8.294 3.462 5.412 774 H TYR 97 H TYR 97 -7.050 2.661 2.722 775 HA TYR 97 HA TYR 97 -9.315 0.925 2.592 776 1HB TYR 97 2HB TYR 97 -8.912 2.703 0.928 777 2HB TYR 97 1HB TYR 97 -7.495 1.829 0.344 778 HD1 TYR 97 HD1 TYR 97 -7.915 0.789 -1.701 779 HD2 TYR 97 HD2 TYR 97 -10.976 0.809 1.313 780 HE1 TYR 97 HE1 TYR 97 -9.362 -0.599 -3.160 781 HE2 TYR 97 HE2 TYR 97 -12.422 -0.577 -0.149 782 HH TYR 97 HH TYR 97 -11.750 -1.087 -3.452 783 H LEU 98 H LEU 98 -5.954 0.421 1.441 784 HA LEU 98 HA LEU 98 -6.483 -2.375 0.828 785 1HB LEU 98 2HB LEU 98 -4.073 -0.596 0.847 786 2HB LEU 98 1HB LEU 98 -3.821 -2.340 0.865 787 HG LEU 98 HG LEU 98 -3.848 -1.630 -1.443 788 1HD1 LEU 98 1HD1 LEU 98 -5.208 -3.308 -2.151 789 2HD1 LEU 98 2HD1 LEU 98 -6.629 -2.607 -1.375 790 3HD1 LEU 98 3HD1 LEU 98 -5.498 -3.579 -0.433 791 1HD2 LEU 98 1HD2 LEU 98 -5.723 0.272 -0.472 792 2HD2 LEU 98 2HD2 LEU 98 -6.551 -0.682 -1.703 793 3HD2 LEU 98 3HD2 LEU 98 -5.050 0.155 -2.099 794 H LYS 99 H LYS 99 -6.249 -0.814 3.722 795 HA LYS 99 HA LYS 99 -4.745 -2.948 5.078 796 1HB LYS 99 2HB LYS 99 -4.800 -0.269 5.518 797 2HB LYS 99 1HB LYS 99 -6.003 -0.814 6.687 798 1HG LYS 99 2HG LYS 99 -4.144 -2.653 7.200 799 2HG LYS 99 1HG LYS 99 -3.075 -1.401 6.567 800 1HD LYS 99 2HD LYS 99 -3.214 -0.275 8.506 801 2HD LYS 99 1HD LYS 99 -4.967 -0.174 8.336 802 1HE LYS 99 2HE LYS 99 -4.803 -2.724 9.130 803 2HE LYS 99 1HE LYS 99 -3.319 -2.129 9.873 804 1HZ LYS 99 1HZ LYS 99 -6.097 -1.253 10.344 805 2HZ LYS 99 2HZ LYS 99 -4.789 -0.234 10.714 806 3HZ LYS 99 3HZ LYS 99 -4.932 -1.747 11.473 807 H LYS 100 H LYS 100 -8.020 -1.853 4.581 808 HA LYS 100 HA LYS 100 -8.977 -3.821 6.618 809 1HB LYS 100 2HB LYS 100 -10.229 -1.363 5.389 810 2HB LYS 100 1HB LYS 100 -11.207 -2.577 6.212 811 1HG LYS 100 2HG LYS 100 -10.355 -2.059 8.284 812 2HG LYS 100 1HG LYS 100 -8.775 -1.613 7.639 813 1HD LYS 100 2HD LYS 100 -10.043 0.356 8.502 814 2HD LYS 100 1HD LYS 100 -9.674 0.489 6.783 815 1HE LYS 100 2HE LYS 100 -11.877 0.822 6.439 816 2HE LYS 100 1HE LYS 100 -12.118 -0.871 6.869 817 1HZ LYS 100 1HZ LYS 100 -13.391 0.020 8.472 818 2HZ LYS 100 2HZ LYS 100 -12.610 1.528 8.425 819 3HZ LYS 100 3HZ LYS 100 -11.914 0.235 9.280 820 H ALA 101 H ALA 101 -9.285 -2.824 3.244 821 HA ALA 101 HA ALA 101 -11.301 -4.761 2.567 822 1HB ALA 101 1HB ALA 101 -9.495 -3.884 0.410 823 2HB ALA 101 2HB ALA 101 -10.247 -2.571 1.315 824 3HB ALA 101 3HB ALA 101 -11.253 -3.781 0.520 825 H THR 102 H THR 102 -7.744 -4.734 2.290 826 HA THR 102 HA THR 102 -7.893 -7.691 1.928 827 HB THR 102 HB THR 102 -5.628 -6.705 0.498 828 HG1 THR 102 HG1 THR 102 -8.108 -5.501 -0.160 829 1HG2 THR 102 1HG2 THR 102 -8.241 -7.902 -0.463 830 2HG2 THR 102 2HG2 THR 102 -6.846 -8.821 0.101 831 3HG2 THR 102 3HG2 THR 102 -6.730 -7.858 -1.372 832 H ASN 103 H ASN 103 -7.406 -6.597 4.393 833 HA ASN 103 HA ASN 103 -4.890 -7.724 5.101 834 1HB ASN 103 2HB ASN 103 -4.329 -5.432 3.897 835 2HB ASN 103 1HB ASN 103 -4.773 -4.755 5.463 836 1HD2 ASN 103 1HD2 ASN 103 -2.716 -4.250 6.333 837 2HD2 ASN 103 2HD2 ASN 103 -1.483 -5.394 6.558 838 H GLU 104 HN GLU 104 -7.658 -7.657 6.000 839 HA GLU 104 HA GLU 104 -7.562 -6.191 8.565 840 1HB GLU 104 2HB GLU 104 -9.629 -7.217 6.832 841 2HB GLU 104 1HB GLU 104 -9.847 -7.857 8.462 842 1HG GLU 104 2HG GLU 104 -9.127 -5.031 8.494 843 2HG GLU 104 1HG GLU 104 -10.607 -5.321 7.580 844 HHA HEC 105 HHA HEC 105 4.519 -2.519 -9.126 845 HHB HEC 105 HHB HEC 105 1.518 1.031 -4.841 846 HHC HEC 105 HHC HEC 105 -1.840 3.768 -9.451 847 HHD HEC 105 HHD HEC 105 1.042 0.095 -13.714 848 1HMA HEC 105 1HMA HEC 105 3.005 -1.749 -3.907 849 2HMA HEC 105 2HMA HEC 105 2.972 0.013 -3.860 850 3HMA HEC 105 3HMA HEC 105 4.502 -0.834 -4.086 851 1HAA HEC 105 1HAA HEC 105 5.553 -2.264 -5.642 852 2HAA HEC 105 2HAA HEC 105 5.536 -2.695 -7.341 853 1HBA HEC 105 1HBA HEC 105 3.347 -4.047 -6.532 854 2HBA HEC 105 2HBA HEC 105 4.273 -4.063 -5.029 855 1HMB HEC 105 1HMB HEC 105 -1.038 3.765 -4.305 856 2HMB HEC 105 2HMB HEC 105 0.557 3.055 -4.066 857 3HMB HEC 105 3HMB HEC 105 -0.878 2.032 -4.026 858 HAB HEC 105 HAB HEC 105 -2.309 4.765 -7.710 859 1HBB HEC 105 1HBB HEC 105 -0.705 5.519 -5.733 860 2HBB HEC 105 2HBB HEC 105 -2.161 5.138 -4.813 861 3HBB HEC 105 3HBB HEC 105 -2.232 6.311 -6.125 862 1HMC HEC 105 1HMC HEC 105 -3.099 3.297 -12.753 863 2HMC HEC 105 2HMC HEC 105 -2.748 4.086 -11.215 864 3HMC HEC 105 3HMC HEC 105 -1.900 4.588 -12.677 865 HAC HEC 105 HAC HEC 105 -0.066 1.507 -14.764 866 1HBC HEC 105 1HBC HEC 105 -2.143 3.637 -14.477 867 2HBC HEC 105 2HBC HEC 105 -1.273 3.155 -15.933 868 3HBC HEC 105 3HBC HEC 105 -0.409 3.935 -14.608 869 1HMD HEC 105 1HMD HEC 105 2.586 -2.671 -14.316 870 2HMD HEC 105 2HMD HEC 105 2.541 -0.933 -14.603 871 3HMD HEC 105 3HMD HEC 105 4.085 -1.743 -14.346 872 1HAD HEC 105 1HAD HEC 105 5.599 -2.628 -12.233 873 2HAD HEC 105 2HAD HEC 105 4.987 -3.464 -10.815 874 1HBD HEC 105 1HBD HEC 105 3.506 -3.921 -13.343 875 2HBD HEC 105 2HBD HEC 105 3.901 -5.049 -12.049 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 -7.000 9.515 5.931 2 2H GLY 1 2HT GLY 1 -7.430 8.284 7.021 3 3H GLY 1 3HT GLY 1 -7.975 9.873 7.272 4 1HA GLY 1 1HA GLY 1 -9.607 9.738 5.726 5 2HA GLY 1 2HA GLY 1 -8.678 8.613 4.736 6 H ASP 2 H ASP 2 -11.398 8.177 5.407 7 HA ASP 2 HA ASP 2 -11.363 6.129 7.548 8 1HB ASP 2 2HB ASP 2 -13.426 7.718 6.145 9 2HB ASP 2 1HB ASP 2 -13.891 6.058 6.512 10 H VAL 3 H VAL 3 -12.794 4.081 6.833 11 HA VAL 3 HA VAL 3 -11.280 2.817 4.702 12 HB VAL 3 HB VAL 3 -11.939 1.430 6.542 13 1HG1 VAL 3 1HG1 VAL 3 -14.324 2.992 6.430 14 2HG1 VAL 3 2HG1 VAL 3 -13.853 1.817 7.656 15 3HG1 VAL 3 3HG1 VAL 3 -14.782 1.300 6.249 16 1HG2 VAL 3 1HG2 VAL 3 -13.311 -0.311 5.382 17 2HG2 VAL 3 2HG2 VAL 3 -11.994 0.299 4.382 18 3HG2 VAL 3 3HG2 VAL 3 -13.644 0.854 4.101 19 H GLU 4 H GLU 4 -14.557 4.134 5.010 20 HA GLU 4 HA GLU 4 -15.434 3.106 2.448 21 1HB GLU 4 2HB GLU 4 -17.323 4.746 2.748 22 2HB GLU 4 1HB GLU 4 -17.111 3.627 4.093 23 1HG GLU 4 2HG GLU 4 -15.463 5.708 4.822 24 2HG GLU 4 1HG GLU 4 -16.790 6.549 4.023 25 H LYS 5 H LYS 5 -14.304 6.349 3.508 26 HA LYS 5 HA LYS 5 -14.570 7.546 0.912 27 1HB LYS 5 2HB LYS 5 -14.084 8.610 3.293 28 2HB LYS 5 1HB LYS 5 -12.404 8.430 2.785 29 1HG LYS 5 2HG LYS 5 -12.863 10.528 1.916 30 2HG LYS 5 1HG LYS 5 -13.321 9.520 0.542 31 1HD LYS 5 2HD LYS 5 -15.426 10.300 0.661 32 2HD LYS 5 1HD LYS 5 -15.566 9.685 2.308 33 1HE LYS 5 2HE LYS 5 -14.088 11.881 2.802 34 2HE LYS 5 1HE LYS 5 -14.939 12.437 1.361 35 1HZ LYS 5 1HZ LYS 5 -16.216 11.306 3.792 36 2HZ LYS 5 2HZ LYS 5 -17.031 11.853 2.406 37 3HZ LYS 5 3HZ LYS 5 -16.169 12.949 3.377 38 H GLY 6 H GLY 6 -12.074 5.559 2.365 39 1HA GLY 6 1HA GLY 6 -10.032 6.176 0.408 40 2HA GLY 6 2HA GLY 6 -10.018 4.799 1.510 41 H LYS 7 H LYS 7 -12.227 3.367 0.808 42 HA LYS 7 HA LYS 7 -11.492 1.821 -1.358 43 1HB LYS 7 2HB LYS 7 -13.322 1.165 0.112 44 2HB LYS 7 1HB LYS 7 -14.319 2.493 -0.486 45 1HG LYS 7 2HG LYS 7 -13.890 1.420 -2.834 46 2HG LYS 7 1HG LYS 7 -13.474 -0.022 -1.909 47 1HD LYS 7 2HD LYS 7 -15.858 0.993 -0.768 48 2HD LYS 7 1HD LYS 7 -16.087 1.031 -2.516 49 1HE LYS 7 2HE LYS 7 -16.783 -1.147 -1.822 50 2HE LYS 7 1HE LYS 7 -15.188 -1.362 -2.545 51 1HZ LYS 7 1HZ LYS 7 -15.631 -0.968 0.359 52 2HZ LYS 7 2HZ LYS 7 -14.190 -1.429 -0.413 53 3HZ LYS 7 3HZ LYS 7 -15.510 -2.496 -0.367 54 H LYS 8 H LYS 8 -13.300 4.858 -1.471 55 HA LYS 8 HA LYS 8 -13.908 4.680 -4.301 56 1HB LYS 8 2HB LYS 8 -14.655 6.332 -2.156 57 2HB LYS 8 1HB LYS 8 -13.805 7.395 -3.278 58 1HG LYS 8 2HG LYS 8 -15.400 5.812 -4.932 59 2HG LYS 8 1HG LYS 8 -16.432 6.151 -3.542 60 1HD LYS 8 2HD LYS 8 -15.716 8.598 -3.794 61 2HD LYS 8 1HD LYS 8 -15.061 8.135 -5.365 62 1HE LYS 8 2HE LYS 8 -17.520 7.012 -5.543 63 2HE LYS 8 1HE LYS 8 -17.888 8.379 -4.492 64 1HZ LYS 8 1HZ LYS 8 -16.624 8.463 -7.174 65 2HZ LYS 8 2HZ LYS 8 -16.716 9.805 -6.137 66 3HZ LYS 8 3HZ LYS 8 -18.136 9.088 -6.731 67 H ILE 9 H ILE 9 -11.439 6.458 -2.401 68 HA ILE 9 HA ILE 9 -10.213 7.776 -4.588 69 HB ILE 9 HB ILE 9 -9.157 6.814 -1.928 70 1HG1 ILE 9 2HG1 ILE 9 -9.560 9.567 -3.146 71 2HG1 ILE 9 1HG1 ILE 9 -10.675 8.783 -2.029 72 1HG2 ILE 9 1HG2 ILE 9 -7.610 8.386 -4.015 73 2HG2 ILE 9 2HG2 ILE 9 -7.307 6.699 -3.601 74 3HG2 ILE 9 3HG2 ILE 9 -7.047 7.962 -2.397 75 1HD1 ILE 9 1HD1 ILE 9 -8.411 10.358 -1.381 76 2HD1 ILE 9 2HD1 ILE 9 -8.014 8.701 -0.929 77 3HD1 ILE 9 3HD1 ILE 9 -9.456 9.474 -0.269 78 H PHE 10 H PHE 10 -9.362 4.596 -3.158 79 HA PHE 10 HA PHE 10 -7.332 3.982 -5.073 80 1HB PHE 10 2HB PHE 10 -7.645 2.779 -2.905 81 2HB PHE 10 1HB PHE 10 -9.099 2.032 -3.567 82 HD1 PHE 10 HD1 PHE 10 -8.835 0.773 -5.841 83 HD2 PHE 10 HD2 PHE 10 -5.556 1.768 -3.251 84 HE1 PHE 10 HE1 PHE 10 -7.442 -0.961 -6.938 85 HE2 PHE 10 HE2 PHE 10 -4.163 0.033 -4.347 86 HZ PHE 10 HZ PHE 10 -5.106 -1.331 -6.191 87 H ILE 11 H ILE 11 -10.801 3.099 -4.985 88 HA ILE 11 HA ILE 11 -10.873 1.516 -7.303 89 HB ILE 11 HB ILE 11 -12.746 2.431 -5.537 90 1HG1 ILE 11 2HG1 ILE 11 -14.377 1.348 -7.310 91 2HG1 ILE 11 1HG1 ILE 11 -12.870 0.964 -8.142 92 1HG2 ILE 11 1HG2 ILE 11 -13.402 3.709 -8.209 93 2HG2 ILE 11 2HG2 ILE 11 -12.992 4.584 -6.733 94 3HG2 ILE 11 3HG2 ILE 11 -14.473 3.628 -6.810 95 1HD1 ILE 11 1HD1 ILE 11 -12.019 -0.115 -6.079 96 2HD1 ILE 11 2HD1 ILE 11 -13.507 -0.876 -6.641 97 3HD1 ILE 11 3HD1 ILE 11 -13.549 0.239 -5.276 98 H MET 12 H MET 12 -10.883 5.065 -7.043 99 HA MET 12 HA MET 12 -10.856 5.168 -10.031 100 1HB MET 12 2HB MET 12 -11.549 7.476 -9.859 101 2HB MET 12 1HB MET 12 -12.610 6.509 -8.836 102 1HG MET 12 2HG MET 12 -10.996 7.074 -6.916 103 2HG MET 12 1HG MET 12 -10.329 8.302 -7.993 104 1HE MET 12 1HE MET 12 -11.989 8.306 -5.075 105 2HE MET 12 2HE MET 12 -12.774 9.879 -5.190 106 3HE MET 12 3HE MET 12 -11.088 9.705 -5.673 107 H LYS 13 H LYS 13 -8.635 4.974 -7.665 108 HA LYS 13 HA LYS 13 -6.835 7.003 -8.922 109 1HB LYS 13 2HB LYS 13 -7.177 7.156 -6.434 110 2HB LYS 13 1HB LYS 13 -6.429 5.564 -6.287 111 1HG LYS 13 2HG LYS 13 -4.593 6.977 -5.977 112 2HG LYS 13 1HG LYS 13 -4.503 6.649 -7.709 113 1HD LYS 13 2HD LYS 13 -4.570 8.881 -8.030 114 2HD LYS 13 1HD LYS 13 -6.254 8.822 -7.503 115 1HE LYS 13 2HE LYS 13 -5.317 8.945 -5.104 116 2HE LYS 13 1HE LYS 13 -3.800 9.434 -5.855 117 1HZ LYS 13 1HZ LYS 13 -5.907 11.064 -5.243 118 2HZ LYS 13 2HZ LYS 13 -6.026 10.858 -6.924 119 3HZ LYS 13 3HZ LYS 13 -4.592 11.456 -6.239 120 H CYS 14 H CYS 14 -6.305 3.864 -7.271 121 HA CYS 14 HA CYS 14 -4.581 3.119 -9.601 122 1HB CYS 14 2HB CYS 14 -4.068 1.563 -7.181 123 2HB CYS 14 1HB CYS 14 -2.931 2.442 -8.192 124 H SER 15 H SER 15 -7.380 2.634 -9.576 125 HA SER 15 HA SER 15 -7.730 -0.166 -8.722 126 1HB SER 15 2HB SER 15 -9.526 1.646 -8.566 127 2HB SER 15 1HB SER 15 -9.682 1.502 -10.314 128 HG SER 15 HG SER 15 -10.372 -0.556 -10.087 129 H GLN 16 H GLN 16 -7.994 1.612 -11.814 130 HA GLN 16 HA GLN 16 -8.310 -0.630 -13.494 131 1HB GLN 16 2HB GLN 16 -7.224 0.872 -15.259 132 2HB GLN 16 1HB GLN 16 -8.649 1.526 -14.452 133 1HG GLN 16 2HG GLN 16 -7.310 2.903 -13.013 134 2HG GLN 16 1HG GLN 16 -5.827 2.093 -13.517 135 1HE2 GLN 16 1HE2 GLN 16 -7.983 4.694 -14.253 136 2HE2 GLN 16 2HE2 GLN 16 -7.265 5.162 -15.718 137 H CYS 17 H CYS 17 -5.336 0.852 -12.225 138 HA CYS 17 HA CYS 17 -3.702 -1.105 -13.699 139 1HB CYS 17 2HB CYS 17 -3.115 1.267 -11.951 140 2HB CYS 17 1HB CYS 17 -1.851 0.067 -12.231 141 H HIS 18 H HIS 18 -5.125 -0.712 -10.538 142 HA HIS 18 HA HIS 18 -3.884 -3.320 -9.772 143 1HB HIS 18 2HB HIS 18 -4.277 -0.931 -7.955 144 2HB HIS 18 1HB HIS 18 -3.910 -2.546 -7.384 145 HD1 HIS 18 HD1 HIS 18 -1.518 -3.313 -7.507 146 HD2 HIS 18 HD2 HIS 18 -2.149 0.283 -9.499 147 HE1 HIS 18 HE1 HIS 18 0.768 -2.400 -8.074 148 H THR 19 H THR 19 -6.023 -4.062 -10.670 149 HA THR 19 HA THR 19 -8.437 -3.333 -9.199 150 HB THR 19 HB THR 19 -9.334 -5.423 -10.444 151 HG1 THR 19 HG1 THR 19 -8.019 -6.294 -11.932 152 1HG2 THR 19 1HG2 THR 19 -9.421 -4.193 -12.588 153 2HG2 THR 19 2HG2 THR 19 -8.151 -3.113 -12.012 154 3HG2 THR 19 3HG2 THR 19 -9.726 -3.124 -11.220 155 H VAL 20 H VAL 20 -7.959 -3.805 -7.013 156 HA VAL 20 HA VAL 20 -6.953 -6.438 -6.242 157 HB VAL 20 HB VAL 20 -6.993 -5.585 -3.998 158 1HG1 VAL 20 1HG1 VAL 20 -5.207 -4.625 -5.276 159 2HG1 VAL 20 2HG1 VAL 20 -5.908 -3.312 -4.330 160 3HG1 VAL 20 3HG1 VAL 20 -6.295 -3.469 -6.044 161 1HG2 VAL 20 1HG2 VAL 20 -9.322 -4.632 -4.167 162 2HG2 VAL 20 2HG2 VAL 20 -8.644 -3.261 -5.046 163 3HG2 VAL 20 3HG2 VAL 20 -8.177 -3.553 -3.371 164 H GLU 21 H GLU 21 -9.656 -6.144 -7.624 165 HA GLU 21 HA GLU 21 -11.102 -7.929 -5.769 166 1HB GLU 21 2HB GLU 21 -11.872 -5.168 -6.334 167 2HB GLU 21 1HB GLU 21 -13.136 -6.312 -6.786 168 1HG GLU 21 2HG GLU 21 -12.221 -7.263 -4.330 169 2HG GLU 21 1HG GLU 21 -12.236 -5.511 -4.129 170 H LYS 22 H LYS 22 -9.718 -7.791 -8.530 171 HA LYS 22 HA LYS 22 -11.850 -8.342 -10.439 172 1HB LYS 22 2HB LYS 22 -9.410 -7.457 -10.851 173 2HB LYS 22 1HB LYS 22 -8.989 -9.170 -10.846 174 1HG LYS 22 2HG LYS 22 -9.443 -8.665 -13.121 175 2HG LYS 22 1HG LYS 22 -10.897 -9.477 -12.540 176 1HD LYS 22 2HD LYS 22 -10.901 -6.556 -12.130 177 2HD LYS 22 1HD LYS 22 -10.883 -7.050 -13.824 178 1HE LYS 22 2HE LYS 22 -12.724 -8.699 -12.319 179 2HE LYS 22 1HE LYS 22 -13.113 -6.993 -12.103 180 1HZ LYS 22 1HZ LYS 22 -12.449 -7.583 -14.809 181 2HZ LYS 22 2HZ LYS 22 -13.848 -6.854 -14.175 182 3HZ LYS 22 3HZ LYS 22 -13.738 -8.547 -14.272 183 H GLY 23 H GLY 23 -10.011 -10.195 -8.148 184 1HA GLY 23 2HA GLY 23 -11.126 -12.402 -7.592 185 2HA GLY 23 1HA GLY 23 -11.157 -12.696 -9.331 186 H GLY 24 H GLY 24 -8.378 -11.267 -9.324 187 1HA GLY 24 1HA GLY 24 -6.294 -12.246 -8.054 188 2HA GLY 24 2HA GLY 24 -6.871 -13.766 -8.738 189 H LYS 25 H LYS 25 -7.752 -11.671 -11.031 190 HA LYS 25 HA LYS 25 -5.384 -12.271 -12.670 191 1HB LYS 25 2HB LYS 25 -7.898 -12.327 -13.406 192 2HB LYS 25 1HB LYS 25 -7.702 -10.583 -13.586 193 1HG LYS 25 2HG LYS 25 -5.423 -11.638 -14.795 194 2HG LYS 25 1HG LYS 25 -6.713 -12.735 -15.288 195 1HD LYS 25 2HD LYS 25 -7.910 -10.266 -15.562 196 2HD LYS 25 1HD LYS 25 -6.248 -9.937 -16.054 197 1HE LYS 25 2HE LYS 25 -6.495 -11.087 -17.983 198 2HE LYS 25 1HE LYS 25 -7.236 -12.455 -17.151 199 1HZ LYS 25 1HZ LYS 25 -9.222 -11.794 -17.830 200 2HZ LYS 25 2HZ LYS 25 -8.489 -10.560 -18.740 201 3HZ LYS 25 3HZ LYS 25 -9.004 -10.255 -17.149 202 H HIS 26 H HIS 26 -4.195 -10.582 -13.805 203 HA HIS 26 HA HIS 26 -4.478 -7.846 -12.685 204 1HB HIS 26 2HB HIS 26 -1.791 -8.005 -12.765 205 2HB HIS 26 1HB HIS 26 -2.714 -8.367 -11.311 206 HD1 HIS 26 HD1 HIS 26 -2.417 -10.618 -14.358 207 HD2 HIS 26 HD2 HIS 26 -1.184 -10.517 -10.374 208 HE1 HIS 26 HE1 HIS 26 -1.409 -12.886 -13.862 209 H LYS 27 H LYS 27 -3.932 -6.242 -14.169 210 HA LYS 27 HA LYS 27 -3.097 -7.207 -16.848 211 1HB LYS 27 2HB LYS 27 -5.310 -6.299 -17.005 212 2HB LYS 27 1HB LYS 27 -4.863 -4.893 -16.037 213 1HG LYS 27 2HG LYS 27 -3.476 -4.016 -17.776 214 2HG LYS 27 1HG LYS 27 -3.551 -5.523 -18.688 215 1HD LYS 27 2HD LYS 27 -6.112 -4.105 -18.051 216 2HD LYS 27 1HD LYS 27 -5.098 -3.477 -19.351 217 1HE LYS 27 2HE LYS 27 -5.208 -6.303 -19.664 218 2HE LYS 27 1HE LYS 27 -6.859 -5.743 -19.404 219 1HZ LYS 27 1HZ LYS 27 -6.029 -5.722 -21.769 220 2HZ LYS 27 2HZ LYS 27 -5.023 -4.429 -21.319 221 3HZ LYS 27 3HZ LYS 27 -6.711 -4.273 -21.209 222 H THR 28 H THR 28 -3.224 -3.871 -15.695 223 HA THR 28 HA THR 28 -0.472 -3.436 -16.580 224 HB THR 28 HB THR 28 -2.507 -1.657 -15.211 225 HG1 THR 28 HG1 THR 28 -1.406 -1.761 -17.821 226 1HG2 THR 28 1HG2 THR 28 -0.746 0.124 -16.051 227 2HG2 THR 28 2HG2 THR 28 0.381 -1.223 -15.883 228 3HG2 THR 28 3HG2 THR 28 -0.537 -0.662 -14.485 229 H GLY 29 H GLY 29 -1.890 -2.421 -13.477 230 1HA GLY 29 2HA GLY 29 0.641 -2.825 -12.115 231 2HA GLY 29 1HA GLY 29 -0.875 -2.359 -11.349 232 HA PRO 30 HA PRO 30 0.115 -7.013 -10.877 233 1HB PRO 30 2HB PRO 30 1.349 -6.967 -8.434 234 2HB PRO 30 1HB PRO 30 2.218 -6.944 -9.972 235 1HG PRO 30 2HG PRO 30 1.668 -4.679 -8.086 236 2HG PRO 30 1HG PRO 30 3.075 -4.956 -9.131 237 1HD PRO 30 2HD PRO 30 1.027 -3.185 -9.740 238 2HD PRO 30 1HD PRO 30 2.091 -3.934 -10.935 239 H ASN 31 H ASN 31 -1.472 -8.201 -9.880 240 HA ASN 31 HA ASN 31 -3.713 -7.038 -8.700 241 1HB ASN 31 2HB ASN 31 -3.572 -9.401 -9.492 242 2HB ASN 31 1HB ASN 31 -2.626 -9.796 -8.058 243 1HD2 ASN 31 1HD2 ASN 31 -5.625 -7.833 -8.576 244 2HD2 ASN 31 2HD2 ASN 31 -6.521 -8.630 -7.374 245 H LEU 32 H LEU 32 -3.431 -5.586 -7.040 246 HA LEU 32 HA LEU 32 -1.631 -6.143 -4.816 247 1HB LEU 32 2HB LEU 32 -3.085 -3.854 -5.858 248 2HB LEU 32 1HB LEU 32 -3.279 -3.988 -4.112 249 HG LEU 32 HG LEU 32 -0.951 -3.842 -3.721 250 1HD1 LEU 32 1HD1 LEU 32 -0.811 -4.918 -6.464 251 2HD1 LEU 32 2HD1 LEU 32 0.263 -5.191 -5.094 252 3HD1 LEU 32 3HD1 LEU 32 0.438 -3.736 -6.075 253 1HD2 LEU 32 1HD2 LEU 32 -1.084 -1.639 -4.202 254 2HD2 LEU 32 2HD2 LEU 32 -2.175 -1.946 -5.553 255 3HD2 LEU 32 3HD2 LEU 32 -0.430 -2.020 -5.794 256 H HIS 33 H HIS 33 -3.352 -8.238 -4.785 257 HA HIS 33 HA HIS 33 -5.499 -7.578 -2.836 258 1HB HIS 33 2HB HIS 33 -6.156 -8.950 -4.772 259 2HB HIS 33 1HB HIS 33 -4.918 -10.138 -4.361 260 HD1 HIS 33 HD1 HIS 33 -6.684 -11.997 -3.902 261 HD2 HIS 33 HD2 HIS 33 -7.109 -8.635 -1.473 262 HE1 HIS 33 HE1 HIS 33 -8.288 -12.647 -2.053 263 H GLY 34 H GLY 34 -3.790 -7.207 -1.162 264 1HA GLY 34 2HA GLY 34 -3.347 -8.409 0.976 265 2HA GLY 34 1HA GLY 34 -2.898 -9.813 0.008 266 H LEU 35 H LEU 35 -1.856 -6.907 -1.390 267 HA LEU 35 HA LEU 35 0.889 -7.522 -1.309 268 1HB LEU 35 2HB LEU 35 0.152 -5.889 -2.883 269 2HB LEU 35 1HB LEU 35 -0.577 -4.895 -1.622 270 HG LEU 35 HG LEU 35 2.220 -5.315 -1.041 271 1HD1 LEU 35 1HD1 LEU 35 1.479 -4.429 -3.825 272 2HD1 LEU 35 2HD1 LEU 35 2.751 -5.543 -3.324 273 3HD1 LEU 35 3HD1 LEU 35 2.936 -3.811 -3.046 274 1HD2 LEU 35 1HD2 LEU 35 0.274 -3.084 -1.419 275 2HD2 LEU 35 2HD2 LEU 35 1.987 -2.680 -1.515 276 3HD2 LEU 35 3HD2 LEU 35 1.337 -3.425 -0.055 277 H PHE 36 H PHE 36 -1.124 -5.937 1.080 278 HA PHE 36 HA PHE 36 0.922 -4.685 2.627 279 1HB PHE 36 2HB PHE 36 -1.871 -5.611 3.126 280 2HB PHE 36 1HB PHE 36 -0.861 -5.283 4.534 281 HD1 PHE 36 HD1 PHE 36 -0.843 -3.648 1.178 282 HD2 PHE 36 HD2 PHE 36 -1.644 -3.222 5.376 283 HE1 PHE 36 HE1 PHE 36 -1.191 -1.213 0.863 284 HE2 PHE 36 HE2 PHE 36 -1.992 -0.787 5.062 285 HZ PHE 36 HZ PHE 36 -1.766 0.218 2.806 286 H GLY 37 H GLY 37 2.040 -5.434 4.491 287 1HA GLY 37 2HA GLY 37 3.261 -7.012 5.721 288 2HA GLY 37 1HA GLY 37 1.793 -7.989 5.681 289 H ARG 38 H ARG 38 3.075 -7.107 2.616 290 HA ARG 38 HA ARG 38 4.556 -9.681 2.405 291 1HB ARG 38 2HB ARG 38 1.977 -9.408 1.449 292 2HB ARG 38 1HB ARG 38 2.955 -9.044 0.026 293 1HG ARG 38 2HG ARG 38 4.281 -11.210 1.046 294 2HG ARG 38 1HG ARG 38 2.614 -11.596 1.470 295 1HD ARG 38 2HD ARG 38 3.110 -12.489 -0.747 296 2HD ARG 38 1HD ARG 38 1.950 -11.168 -0.896 297 HE ARG 38 HE ARG 38 4.853 -10.625 -1.303 298 1HH1 ARG 38 1HH2 ARG 38 2.928 -8.447 -1.810 299 2HH1 ARG 38 2HH2 ARG 38 2.643 -8.572 -3.515 300 1HH2 ARG 38 1HH1 ARG 38 3.921 -11.782 -3.767 301 2HH2 ARG 38 2HH1 ARG 38 3.204 -10.456 -4.619 302 H LYS 39 H LYS 39 5.929 -9.725 0.415 303 HA LYS 39 HA LYS 39 7.021 -7.018 -0.084 304 1HB LYS 39 2HB LYS 39 8.266 -9.371 -1.392 305 2HB LYS 39 1HB LYS 39 9.022 -8.018 -0.554 306 1HG LYS 39 2HG LYS 39 7.616 -10.363 0.748 307 2HG LYS 39 1HG LYS 39 9.354 -10.078 0.715 308 1HD LYS 39 2HD LYS 39 7.646 -7.875 1.764 309 2HD LYS 39 1HD LYS 39 7.833 -9.303 2.785 310 1HE LYS 39 2HE LYS 39 10.390 -8.599 1.674 311 2HE LYS 39 1HE LYS 39 9.680 -7.176 2.435 312 1HZ LYS 39 1HZ LYS 39 9.374 -9.606 3.954 313 2HZ LYS 39 2HZ LYS 39 9.880 -8.064 4.457 314 3HZ LYS 39 3HZ LYS 39 10.988 -9.132 3.740 315 H THR 40 H THR 40 8.187 -7.664 -2.592 316 HA THR 40 HA THR 40 6.162 -6.778 -4.392 317 HB THR 40 HB THR 40 8.330 -8.363 -5.604 318 HG1 THR 40 HG1 THR 40 9.544 -6.217 -4.754 319 1HG2 THR 40 1HG2 THR 40 8.690 -6.089 -6.702 320 2HG2 THR 40 2HG2 THR 40 7.293 -5.528 -5.784 321 3HG2 THR 40 3HG2 THR 40 7.108 -6.824 -6.966 322 H GLY 41 H GLY 41 6.370 -8.517 -6.611 323 1HA GLY 41 1HA GLY 41 5.390 -11.126 -5.660 324 2HA GLY 41 2HA GLY 41 4.275 -10.160 -6.620 325 H GLN 42 H GLN 42 4.641 -12.337 -7.901 326 HA GLN 42 HA GLN 42 6.328 -11.682 -10.189 327 1HB GLN 42 2HB GLN 42 7.453 -14.042 -9.959 328 2HB GLN 42 1HB GLN 42 8.115 -12.680 -9.054 329 1HG GLN 42 2HG GLN 42 5.944 -14.033 -7.628 330 2HG GLN 42 1HG GLN 42 7.313 -15.097 -7.954 331 1HE2 GLN 42 1HE2 GLN 42 6.167 -12.856 -5.722 332 2HE2 GLN 42 2HE2 GLN 42 7.644 -12.418 -5.010 333 H ALA 43 H ALA 43 3.502 -12.173 -9.715 334 HA ALA 43 HA ALA 43 2.452 -14.663 -10.219 335 1HB ALA 43 1HB ALA 43 0.753 -13.129 -10.222 336 2HB ALA 43 2HB ALA 43 0.952 -13.243 -11.971 337 3HB ALA 43 3HB ALA 43 1.709 -11.921 -11.081 338 HA PRO 44 HA PRO 44 3.942 -16.101 -14.086 339 1HB PRO 44 2HB PRO 44 1.752 -17.525 -14.952 340 2HB PRO 44 1HB PRO 44 2.835 -18.077 -13.661 341 1HG PRO 44 2HG PRO 44 0.082 -16.941 -13.446 342 2HG PRO 44 1HG PRO 44 0.921 -18.066 -12.364 343 1HD PRO 44 2HD PRO 44 0.575 -15.302 -11.910 344 2HD PRO 44 1HD PRO 44 1.713 -16.362 -11.050 345 H GLY 45 H GLY 45 3.732 -15.754 -16.411 346 1HA GLY 45 2HA GLY 45 3.179 -14.421 -18.269 347 2HA GLY 45 1HA GLY 45 1.510 -14.572 -17.708 348 H TYR 46 H TYR 46 3.791 -13.262 -15.496 349 HA TYR 46 HA TYR 46 3.278 -10.461 -16.244 350 1HB TYR 46 2HB TYR 46 1.285 -11.221 -14.881 351 2HB TYR 46 1HB TYR 46 2.388 -11.512 -13.543 352 HD1 TYR 46 HD1 TYR 46 4.065 -8.873 -14.755 353 HD2 TYR 46 HD2 TYR 46 0.155 -9.674 -13.200 354 HE1 TYR 46 HE1 TYR 46 3.859 -6.516 -14.102 355 HE2 TYR 46 HE2 TYR 46 -0.037 -7.298 -12.549 356 HH TYR 46 HH TYR 46 2.151 -5.349 -12.041 357 H SER 47 H SER 47 5.428 -9.919 -16.228 358 HA SER 47 HA SER 47 7.238 -10.911 -14.154 359 1HB SER 47 2HB SER 47 8.921 -9.564 -15.254 360 2HB SER 47 1HB SER 47 7.957 -10.322 -16.519 361 HG SER 47 HG SER 47 7.083 -8.430 -17.003 362 H TYR 48 H TYR 48 5.951 -10.145 -12.317 363 HA TYR 48 HA TYR 48 5.029 -7.605 -11.740 364 1HB TYR 48 2HB TYR 48 6.139 -9.826 -10.159 365 2HB TYR 48 1HB TYR 48 6.206 -8.257 -9.365 366 HD1 TYR 48 HD1 TYR 48 3.610 -9.317 -11.812 367 HD2 TYR 48 HD2 TYR 48 4.581 -8.598 -7.718 368 HE1 TYR 48 HE1 TYR 48 1.216 -9.558 -11.194 369 HE2 TYR 48 HE2 TYR 48 2.199 -8.834 -7.087 370 HH TYR 48 HH TYR 48 0.049 -10.273 -8.589 371 H THR 49 H THR 49 6.205 -6.024 -10.110 372 HA THR 49 HA THR 49 8.401 -4.826 -11.466 373 HB THR 49 HB THR 49 8.136 -4.409 -8.522 374 HG1 THR 49 HG1 THR 49 6.190 -3.422 -8.744 375 1HG2 THR 49 1HG2 THR 49 7.825 -2.068 -10.114 376 2HG2 THR 49 2HG2 THR 49 9.125 -3.026 -10.824 377 3HG2 THR 49 3HG2 THR 49 9.215 -2.537 -9.132 378 H ALA 50 H ALA 50 9.945 -6.499 -11.830 379 HA ALA 50 HA ALA 50 11.085 -8.196 -9.892 380 1HB ALA 50 1HB ALA 50 13.182 -7.987 -11.434 381 2HB ALA 50 2HB ALA 50 12.130 -7.003 -12.451 382 3HB ALA 50 3HB ALA 50 11.707 -8.680 -12.107 383 H ALA 51 H ALA 51 11.972 -4.876 -10.813 384 HA ALA 51 HA ALA 51 14.306 -4.559 -9.300 385 1HB ALA 51 1HB ALA 51 13.443 -2.149 -8.962 386 2HB ALA 51 2HB ALA 51 12.034 -2.662 -9.890 387 3HB ALA 51 3HB ALA 51 13.637 -2.710 -10.622 388 H ASN 52 H ASN 52 11.138 -3.396 -8.063 389 HA ASN 52 HA ASN 52 11.684 -3.148 -5.388 390 1HB ASN 52 2HB ASN 52 9.296 -4.007 -6.918 391 2HB ASN 52 1HB ASN 52 9.283 -4.435 -5.208 392 1HD2 ASN 52 1HD2 ASN 52 10.380 -2.330 -3.896 393 2HD2 ASN 52 2HD2 ASN 52 9.571 -0.880 -4.248 394 H LYS 53 H LYS 53 10.845 -6.240 -6.976 395 HA LYS 53 HA LYS 53 10.866 -8.017 -4.874 396 1HB LYS 53 2HB LYS 53 10.674 -8.503 -7.389 397 2HB LYS 53 1HB LYS 53 12.435 -8.606 -7.384 398 1HG LYS 53 2HG LYS 53 12.404 -10.410 -5.792 399 2HG LYS 53 1HG LYS 53 10.676 -10.204 -5.507 400 1HD LYS 53 2HD LYS 53 10.135 -11.454 -7.307 401 2HD LYS 53 1HD LYS 53 11.279 -10.594 -8.337 402 1HE LYS 53 2HE LYS 53 13.089 -11.961 -7.038 403 2HE LYS 53 1HE LYS 53 11.741 -13.017 -6.617 404 1HZ LYS 53 1HZ LYS 53 11.231 -13.077 -9.058 405 2HZ LYS 53 2HZ LYS 53 12.666 -13.861 -8.594 406 3HZ LYS 53 3HZ LYS 53 12.730 -12.327 -9.322 407 H ASN 54 H ASN 54 13.888 -7.542 -6.740 408 HA ASN 54 HA ASN 54 15.531 -8.645 -4.691 409 1HB ASN 54 2HB ASN 54 17.421 -7.737 -5.965 410 2HB ASN 54 1HB ASN 54 16.240 -8.460 -7.058 411 1HD2 ASN 54 1HD2 ASN 54 16.950 -7.037 -8.829 412 2HD2 ASN 54 2HD2 ASN 54 16.527 -5.394 -8.846 413 H LYS 55 H LYS 55 14.105 -5.531 -4.992 414 HA LYS 55 HA LYS 55 16.012 -3.967 -3.569 415 1HB LYS 55 2HB LYS 55 13.971 -3.129 -4.837 416 2HB LYS 55 1HB LYS 55 13.009 -3.621 -3.443 417 1HG LYS 55 2HG LYS 55 13.443 -1.458 -2.797 418 2HG LYS 55 1HG LYS 55 14.904 -2.213 -2.157 419 1HD LYS 55 2HD LYS 55 15.642 -1.739 -4.751 420 2HD LYS 55 1HD LYS 55 14.588 -0.361 -4.434 421 1HE LYS 55 2HE LYS 55 16.061 0.582 -2.990 422 2HE LYS 55 1HE LYS 55 16.432 -0.965 -2.225 423 1HZ LYS 55 1HZ LYS 55 17.610 0.221 -4.657 424 2HZ LYS 55 2HZ LYS 55 17.681 -1.454 -4.383 425 3HZ LYS 55 3HZ LYS 55 18.395 -0.379 -3.279 426 H GLY 56 H GLY 56 14.086 -6.569 -2.525 427 1HA GLY 56 1HA GLY 56 13.644 -7.447 -0.393 428 2HA GLY 56 2HA GLY 56 15.102 -6.590 0.111 429 H ILE 57 H ILE 57 12.000 -5.339 -1.118 430 HA ILE 57 HA ILE 57 11.869 -3.611 1.309 431 HB ILE 57 HB ILE 57 11.895 -2.607 -1.051 432 1HG1 ILE 57 2HG1 ILE 57 11.063 -1.495 1.086 433 2HG1 ILE 57 1HG1 ILE 57 10.395 -0.853 -0.414 434 1HG2 ILE 57 1HG2 ILE 57 9.103 -3.791 -1.016 435 2HG2 ILE 57 2HG2 ILE 57 10.400 -4.198 -2.139 436 3HG2 ILE 57 3HG2 ILE 57 9.667 -2.594 -2.183 437 1HD1 ILE 57 1HD1 ILE 57 8.667 -2.951 0.290 438 2HD1 ILE 57 2HD1 ILE 57 8.347 -1.226 0.455 439 3HD1 ILE 57 3HD1 ILE 57 9.022 -2.131 1.808 440 H ILE 58 H ILE 58 10.165 -3.824 2.716 441 HA ILE 58 HA ILE 58 8.190 -5.964 2.117 442 HB ILE 58 HB ILE 58 9.166 -6.268 4.264 443 1HG1 ILE 58 2HG1 ILE 58 7.309 -6.068 5.762 444 2HG1 ILE 58 1HG1 ILE 58 6.667 -4.675 4.891 445 1HG2 ILE 58 1HG2 ILE 58 9.156 -3.322 4.250 446 2HG2 ILE 58 2HG2 ILE 58 10.289 -4.440 5.009 447 3HG2 ILE 58 3HG2 ILE 58 8.772 -4.038 5.815 448 1HD1 ILE 58 1HD1 ILE 58 5.851 -5.967 3.142 449 2HD1 ILE 58 2HD1 ILE 58 5.639 -7.081 4.494 450 3HD1 ILE 58 3HD1 ILE 58 7.022 -7.258 3.414 451 H TRP 59 H TRP 59 6.693 -4.931 0.774 452 HA TRP 59 HA TRP 59 5.779 -2.344 0.750 453 1HB TRP 59 2HB TRP 59 4.244 -4.915 0.378 454 2HB TRP 59 1HB TRP 59 3.496 -3.337 0.129 455 HD1 TRP 59 HD1 TRP 59 4.748 -5.824 -1.950 456 HE1 TRP 59 HE1 TRP 59 5.940 -4.925 -4.052 457 HE3 TRP 59 HE3 TRP 59 5.571 -0.984 -0.506 458 HZ2 TRP 59 HZ2 TRP 59 7.088 -2.487 -4.994 459 HZ3 TRP 59 HZ3 TRP 59 6.716 0.598 -2.032 460 HH2 TRP 59 HH2 TRP 59 7.476 -0.149 -4.271 461 H GLY 60 H GLY 60 5.485 -1.199 2.608 462 1HA GLY 60 1HA GLY 60 3.410 -2.227 4.502 463 2HA GLY 60 2HA GLY 60 4.860 -1.402 5.081 464 H GLU 61 H GLU 61 3.203 0.111 6.042 465 HA GLU 61 HA GLU 61 1.609 1.773 4.281 466 1HB GLU 61 2HB GLU 61 2.481 2.133 7.165 467 2HB GLU 61 1HB GLU 61 1.348 3.200 6.333 468 1HG GLU 61 2HG GLU 61 0.126 0.915 5.767 469 2HG GLU 61 1HG GLU 61 0.984 0.358 7.204 470 H ASP 62 H ASP 62 4.248 2.814 6.453 471 HA ASP 62 HA ASP 62 4.814 5.195 5.009 472 1HB ASP 62 2HB ASP 62 5.535 4.587 7.387 473 2HB ASP 62 1HB ASP 62 6.835 3.653 6.647 474 H THR 63 H THR 63 6.136 1.917 4.723 475 HA THR 63 HA THR 63 8.301 2.519 2.988 476 HB THR 63 HB THR 63 7.439 0.048 2.118 477 HG1 THR 63 HG1 THR 63 5.701 0.405 3.737 478 1HG2 THR 63 1HG2 THR 63 8.820 -0.311 4.587 479 2HG2 THR 63 2HG2 THR 63 9.435 1.161 3.834 480 3HG2 THR 63 3HG2 THR 63 9.481 -0.366 2.953 481 H LEU 64 H LEU 64 4.862 2.017 2.327 482 HA LEU 64 HA LEU 64 5.213 2.092 -0.567 483 1HB LEU 64 2HB LEU 64 3.124 1.433 1.210 484 2HB LEU 64 1HB LEU 64 2.553 2.830 0.298 485 HG LEU 64 HG LEU 64 3.648 0.253 -0.864 486 1HD1 LEU 64 1HD1 LEU 64 1.493 -0.391 -0.646 487 2HD1 LEU 64 2HD1 LEU 64 1.113 0.807 -1.885 488 3HD1 LEU 64 3HD1 LEU 64 0.985 1.233 -0.178 489 1HD2 LEU 64 1HD2 LEU 64 2.357 2.323 -2.566 490 2HD2 LEU 64 2HD2 LEU 64 3.706 1.249 -2.932 491 3HD2 LEU 64 3HD2 LEU 64 3.975 2.705 -1.975 492 H MET 65 H MET 65 4.464 4.405 1.983 493 HA MET 65 HA MET 65 3.560 6.576 0.430 494 1HB MET 65 2HB MET 65 3.725 6.456 2.969 495 2HB MET 65 1HB MET 65 5.437 6.846 2.789 496 1HG MET 65 2HG MET 65 4.524 8.972 3.050 497 2HG MET 65 1HG MET 65 4.524 8.818 1.294 498 1HE MET 65 1HE MET 65 3.298 10.799 1.945 499 2HE MET 65 2HE MET 65 1.840 10.862 2.934 500 3HE MET 65 3HE MET 65 1.703 10.716 1.184 501 H GLU 66 H GLU 66 6.867 5.468 1.070 502 HA GLU 66 HA GLU 66 8.120 7.673 -0.317 503 1HB GLU 66 2HB GLU 66 9.304 6.336 1.399 504 2HB GLU 66 1HB GLU 66 9.204 4.922 0.353 505 1HG GLU 66 2HG GLU 66 10.702 5.813 -1.215 506 2HG GLU 66 1HG GLU 66 10.442 7.469 -0.665 507 H TYR 67 H TYR 67 7.810 4.212 -1.141 508 HA TYR 67 HA TYR 67 8.740 4.347 -3.789 509 1HB TYR 67 2HB TYR 67 8.291 2.215 -2.711 510 2HB TYR 67 1HB TYR 67 6.572 2.591 -2.605 511 HD1 TYR 67 HD1 TYR 67 9.277 2.524 -5.222 512 HD2 TYR 67 HD2 TYR 67 5.194 1.654 -4.212 513 HE1 TYR 67 HE1 TYR 67 8.918 1.571 -7.484 514 HE2 TYR 67 HE2 TYR 67 4.834 0.704 -6.471 515 HH TYR 67 HH TYR 67 6.197 -0.297 -8.276 516 H LEU 68 H LEU 68 5.811 5.617 -2.471 517 HA LEU 68 HA LEU 68 4.521 5.777 -5.127 518 1HB LEU 68 2HB LEU 68 3.540 5.595 -2.510 519 2HB LEU 68 1HB LEU 68 3.194 7.254 -3.000 520 HG LEU 68 HG LEU 68 2.197 6.350 -5.123 521 1HD1 LEU 68 1HD1 LEU 68 3.480 4.007 -4.347 522 2HD1 LEU 68 2HD1 LEU 68 2.274 4.142 -5.627 523 3HD1 LEU 68 3HD1 LEU 68 1.783 3.677 -3.999 524 1HD2 LEU 68 1HD2 LEU 68 1.138 6.402 -2.493 525 2HD2 LEU 68 2HD2 LEU 68 0.514 4.938 -3.254 526 3HD2 LEU 68 3HD2 LEU 68 0.244 6.509 -4.010 527 H GLU 69 H GLU 69 5.966 7.898 -2.681 528 HA GLU 69 HA GLU 69 5.351 10.387 -3.905 529 1HB GLU 69 2HB GLU 69 6.573 9.710 -1.636 530 2HB GLU 69 1HB GLU 69 8.011 9.945 -2.618 531 1HG GLU 69 2HG GLU 69 7.703 12.204 -2.774 532 2HG GLU 69 1HG GLU 69 5.948 12.058 -2.853 533 H ASN 70 H ASN 70 7.516 7.842 -4.701 534 HA ASN 70 HA ASN 70 8.091 8.823 -7.313 535 1HB ASN 70 2HB ASN 70 10.603 9.200 -6.891 536 2HB ASN 70 1HB ASN 70 9.516 10.490 -6.377 537 1HD2 ASN 70 1HD2 ASN 70 11.610 10.831 -4.926 538 2HD2 ASN 70 2HD2 ASN 70 11.584 10.056 -3.416 539 HA PRO 71 HA PRO 71 8.923 4.411 -6.546 540 1HB PRO 71 2HB PRO 71 7.597 3.579 -8.810 541 2HB PRO 71 1HB PRO 71 6.807 3.837 -7.246 542 1HG PRO 71 2HG PRO 71 6.721 5.536 -9.696 543 2HG PRO 71 1HG PRO 71 5.527 5.379 -8.397 544 1HD PRO 71 2HD PRO 71 7.358 7.509 -8.700 545 2HD PRO 71 1HD PRO 71 6.417 7.147 -7.237 546 H LYS 72 H LYS 72 9.069 6.128 -9.684 547 HA LYS 72 HA LYS 72 10.991 4.399 -10.889 548 1HB LYS 72 2HB LYS 72 9.580 6.290 -11.971 549 2HB LYS 72 1HB LYS 72 10.867 7.365 -11.425 550 1HG LYS 72 2HG LYS 72 12.426 6.463 -12.870 551 2HG LYS 72 1HG LYS 72 11.657 4.875 -12.876 552 1HD LYS 72 2HD LYS 72 9.929 6.965 -13.978 553 2HD LYS 72 1HD LYS 72 11.433 6.782 -14.880 554 1HE LYS 72 2HE LYS 72 10.286 5.102 -15.924 555 2HE LYS 72 1HE LYS 72 10.782 4.172 -14.508 556 1HZ LYS 72 1HZ LYS 72 8.274 4.348 -15.232 557 2HZ LYS 72 2HZ LYS 72 8.342 5.772 -14.307 558 3HZ LYS 72 3HZ LYS 72 8.721 4.276 -13.598 559 H LYS 73 H LYS 73 11.244 6.822 -8.441 560 HA LYS 73 HA LYS 73 14.162 7.111 -8.771 561 1HB LYS 73 2HB LYS 73 12.213 8.242 -6.741 562 2HB LYS 73 1HB LYS 73 13.941 8.599 -6.759 563 1HG LYS 73 2HG LYS 73 12.456 8.963 -9.319 564 2HG LYS 73 1HG LYS 73 12.155 10.142 -8.042 565 1HD LYS 73 2HD LYS 73 14.870 9.389 -9.163 566 2HD LYS 73 1HD LYS 73 14.006 10.898 -9.463 567 1HE LYS 73 2HE LYS 73 15.030 11.739 -7.641 568 2HE LYS 73 1HE LYS 73 14.042 10.644 -6.674 569 1HZ LYS 73 1HZ LYS 73 16.833 10.424 -7.459 570 2HZ LYS 73 2HZ LYS 73 15.938 8.981 -7.478 571 3HZ LYS 73 3HZ LYS 73 16.057 9.892 -6.049 572 H TYR 74 H TYR 74 11.836 5.615 -6.544 573 HA TYR 74 HA TYR 74 13.905 4.631 -4.740 574 1HB TYR 74 2HB TYR 74 11.597 5.005 -3.950 575 2HB TYR 74 1HB TYR 74 11.002 3.805 -5.095 576 HD1 TYR 74 HD1 TYR 74 10.040 2.421 -3.308 577 HD2 TYR 74 HD2 TYR 74 14.234 3.337 -3.411 578 HE1 TYR 74 HE1 TYR 74 10.469 0.629 -1.648 579 HE2 TYR 74 HE2 TYR 74 14.664 1.543 -1.751 580 HH TYR 74 HH TYR 74 13.550 0.265 -0.097 581 H ILE 75 H ILE 75 11.559 2.802 -6.726 582 HA ILE 75 HA ILE 75 13.524 0.640 -7.031 583 HB ILE 75 HB ILE 75 10.711 0.755 -8.111 584 1HG1 ILE 75 2HG1 ILE 75 10.732 1.454 -5.712 585 2HG1 ILE 75 1HG1 ILE 75 9.937 -0.101 -5.955 586 1HG2 ILE 75 1HG2 ILE 75 11.671 -1.204 -8.836 587 2HG2 ILE 75 2HG2 ILE 75 11.060 -1.728 -7.267 588 3HG2 ILE 75 3HG2 ILE 75 12.762 -1.305 -7.455 589 1HD1 ILE 75 1HD1 ILE 75 12.768 0.361 -4.986 590 2HD1 ILE 75 2HD1 ILE 75 12.121 -1.224 -5.409 591 3HD1 ILE 75 3HD1 ILE 75 11.430 -0.319 -4.062 592 HA PRO 76 HA PRO 76 14.386 2.583 -11.016 593 1HB PRO 76 2HB PRO 76 16.702 1.166 -11.447 594 2HB PRO 76 1HB PRO 76 16.618 2.635 -10.459 595 1HG PRO 76 2HG PRO 76 16.867 -0.208 -9.581 596 2HG PRO 76 1HG PRO 76 17.413 1.270 -8.771 597 1HD PRO 76 2HD PRO 76 15.096 -0.201 -8.110 598 2HD PRO 76 1HD PRO 76 15.461 1.454 -7.581 599 H GLY 77 H GLY 77 12.544 1.451 -11.982 600 1HA GLY 77 2HA GLY 77 12.923 -0.139 -14.139 601 2HA GLY 77 1HA GLY 77 12.937 -1.337 -12.844 602 H THR 78 H THR 78 11.000 0.326 -11.248 603 HA THR 78 HA THR 78 8.608 -0.938 -11.768 604 HB THR 78 HB THR 78 9.020 0.663 -9.873 605 HG1 THR 78 HG1 THR 78 6.855 -0.019 -10.926 606 1HG2 THR 78 1HG2 THR 78 9.948 2.495 -11.281 607 2HG2 THR 78 2HG2 THR 78 8.616 3.044 -10.262 608 3HG2 THR 78 3HG2 THR 78 8.347 2.739 -11.978 609 H LYS 79 H LYS 79 6.813 -0.597 -13.103 610 HA LYS 79 HA LYS 79 7.309 1.202 -15.436 611 1HB LYS 79 2HB LYS 79 5.285 -1.044 -15.306 612 2HB LYS 79 1HB LYS 79 5.941 -0.255 -16.741 613 1HG LYS 79 2HG LYS 79 8.203 -1.187 -15.412 614 2HG LYS 79 1HG LYS 79 7.027 -2.482 -15.196 615 1HD LYS 79 2HD LYS 79 6.562 -2.090 -17.759 616 2HD LYS 79 1HD LYS 79 8.176 -1.378 -17.735 617 1HE LYS 79 2HE LYS 79 8.903 -3.511 -18.012 618 2HE LYS 79 1HE LYS 79 8.561 -3.682 -16.291 619 1HZ LYS 79 1HZ LYS 79 7.050 -5.191 -16.814 620 2HZ LYS 79 2HZ LYS 79 7.293 -4.933 -18.475 621 3HZ LYS 79 3HZ LYS 79 6.153 -4.002 -17.627 622 H MET 80 H MET 80 6.048 1.697 -12.649 623 HA MET 80 HA MET 80 3.254 2.151 -12.968 624 1HB MET 80 2HB MET 80 5.260 3.649 -11.265 625 2HB MET 80 1HB MET 80 3.517 3.778 -11.113 626 1HG MET 80 2HG MET 80 4.115 1.023 -11.087 627 2HG MET 80 1HG MET 80 5.289 1.772 -10.020 628 1HE MET 80 1HE MET 80 2.793 4.021 -7.929 629 2HE MET 80 2HE MET 80 2.117 4.174 -9.549 630 3HE MET 80 3HE MET 80 3.863 4.242 -9.320 631 H ILE 81 H ILE 81 2.189 3.655 -14.160 632 HA ILE 81 HA ILE 81 3.772 5.863 -15.376 633 HB ILE 81 HB ILE 81 0.898 5.043 -15.925 634 1HG1 ILE 81 2HG1 ILE 81 3.191 4.443 -17.766 635 2HG1 ILE 81 1HG1 ILE 81 2.900 3.373 -16.394 636 1HG2 ILE 81 1HG2 ILE 81 1.068 7.164 -16.827 637 2HG2 ILE 81 2HG2 ILE 81 1.719 6.228 -18.173 638 3HG2 ILE 81 3HG2 ILE 81 2.813 7.041 -17.053 639 1HD1 ILE 81 1HD1 ILE 81 0.683 2.870 -17.138 640 2HD1 ILE 81 2HD1 ILE 81 1.718 2.729 -18.558 641 3HD1 ILE 81 3HD1 ILE 81 0.719 4.165 -18.334 642 H PHE 82 H PHE 82 2.934 5.658 -12.539 643 HA PHE 82 HA PHE 82 0.730 7.382 -11.986 644 1HB PHE 82 2HB PHE 82 2.351 5.784 -10.493 645 2HB PHE 82 1HB PHE 82 2.973 7.376 -10.061 646 HD1 PHE 82 HD1 PHE 82 2.100 7.866 -7.939 647 HD2 PHE 82 HD2 PHE 82 -0.485 6.302 -10.990 648 HE1 PHE 82 HE1 PHE 82 0.140 8.237 -6.464 649 HE2 PHE 82 HE2 PHE 82 -2.448 6.673 -9.517 650 HZ PHE 82 HZ PHE 82 -2.135 7.640 -7.255 651 H VAL 83 H VAL 83 0.928 9.554 -10.964 652 HA VAL 83 HA VAL 83 2.912 11.200 -12.448 653 HB VAL 83 HB VAL 83 0.713 11.994 -12.836 654 1HG1 VAL 83 1HG1 VAL 83 0.303 11.534 -9.871 655 2HG1 VAL 83 2HG1 VAL 83 -0.526 10.742 -11.212 656 3HG1 VAL 83 3HG1 VAL 83 -0.838 12.442 -10.863 657 1HG2 VAL 83 1HG2 VAL 83 0.836 14.191 -12.071 658 2HG2 VAL 83 2HG2 VAL 83 2.497 13.660 -11.807 659 3HG2 VAL 83 3HG2 VAL 83 1.361 13.708 -10.458 660 H GLY 84 H GLY 84 1.913 10.267 -9.223 661 1HA GLY 84 2HA GLY 84 3.518 10.370 -7.379 662 2HA GLY 84 1HA GLY 84 4.248 11.782 -8.148 663 H ILE 85 H ILE 85 1.096 10.734 -6.805 664 HA ILE 85 HA ILE 85 0.048 13.353 -6.416 665 HB ILE 85 HB ILE 85 -0.489 10.796 -4.874 666 1HG1 ILE 85 2HG1 ILE 85 -0.997 10.579 -7.250 667 2HG1 ILE 85 1HG1 ILE 85 -2.510 10.731 -6.355 668 1HG2 ILE 85 1HG2 ILE 85 -2.005 13.420 -4.999 669 2HG2 ILE 85 2HG2 ILE 85 -1.214 12.732 -3.581 670 3HG2 ILE 85 3HG2 ILE 85 -2.631 11.939 -4.273 671 1HD1 ILE 85 1HD1 ILE 85 -1.375 12.500 -8.378 672 2HD1 ILE 85 2HD1 ILE 85 -1.784 13.368 -6.898 673 3HD1 ILE 85 3HD1 ILE 85 -3.019 12.437 -7.743 674 H LYS 86 H LYS 86 0.847 14.919 -5.103 675 HA LYS 86 HA LYS 86 2.659 14.172 -2.892 676 1HB LYS 86 2HB LYS 86 3.079 16.587 -2.714 677 2HB LYS 86 1HB LYS 86 3.257 16.058 -4.387 678 1HG LYS 86 2HG LYS 86 0.611 16.671 -4.359 679 2HG LYS 86 1HG LYS 86 1.213 17.828 -3.172 680 1HD LYS 86 2HD LYS 86 2.770 18.761 -4.738 681 2HD LYS 86 1HD LYS 86 2.486 17.457 -5.892 682 1HE LYS 86 2HE LYS 86 0.796 18.620 -6.810 683 2HE LYS 86 1HE LYS 86 -0.034 18.657 -5.254 684 1HZ LYS 86 1HZ LYS 86 2.205 20.496 -5.728 685 2HZ LYS 86 2HZ LYS 86 0.849 20.684 -4.722 686 3HZ LYS 86 3HZ LYS 86 0.692 20.855 -6.405 687 H LYS 87 H LYS 87 -0.631 14.538 -3.279 688 HA LYS 87 HA LYS 87 -1.326 16.010 -0.902 689 1HB LYS 87 2HB LYS 87 -2.781 14.077 -2.697 690 2HB LYS 87 1HB LYS 87 -3.525 14.633 -1.197 691 1HG LYS 87 2HG LYS 87 -4.278 16.217 -2.755 692 2HG LYS 87 1HG LYS 87 -2.876 17.016 -2.043 693 1HD LYS 87 2HD LYS 87 -1.473 16.326 -3.907 694 2HD LYS 87 1HD LYS 87 -2.793 15.377 -4.591 695 1HE LYS 87 2HE LYS 87 -3.861 17.948 -4.199 696 2HE LYS 87 1HE LYS 87 -2.253 18.210 -4.873 697 1HZ LYS 87 1HZ LYS 87 -3.819 17.951 -6.648 698 2HZ LYS 87 2HZ LYS 87 -4.391 16.486 -6.001 699 3HZ LYS 87 3HZ LYS 87 -2.811 16.586 -6.619 700 H LYS 88 H LYS 88 -0.687 15.330 1.088 701 HA LYS 88 HA LYS 88 -0.033 12.587 1.695 702 1HB LYS 88 2HB LYS 88 0.536 14.971 2.872 703 2HB LYS 88 1HB LYS 88 -0.749 14.395 3.935 704 1HG LYS 88 2HG LYS 88 0.455 12.284 4.279 705 2HG LYS 88 1HG LYS 88 1.727 12.814 3.179 706 1HD LYS 88 2HD LYS 88 1.437 14.910 5.028 707 2HD LYS 88 1HD LYS 88 1.372 13.433 5.989 708 1HE LYS 88 2HE LYS 88 3.422 12.820 4.321 709 2HE LYS 88 1HE LYS 88 3.617 14.570 4.423 710 1HZ LYS 88 1HZ LYS 88 3.090 13.239 6.938 711 2HZ LYS 88 2HZ LYS 88 4.202 14.468 6.569 712 3HZ LYS 88 3HZ LYS 88 4.578 12.847 6.227 713 H GLU 89 H GLU 89 -2.893 14.608 2.207 714 HA GLU 89 HA GLU 89 -4.330 12.787 3.868 715 1HB GLU 89 2HB GLU 89 -4.933 15.193 3.496 716 2HB GLU 89 1HB GLU 89 -5.481 14.760 1.876 717 1HG GLU 89 2HG GLU 89 -7.398 13.825 2.650 718 2HG GLU 89 1HG GLU 89 -6.575 13.037 3.996 719 H GLU 90 H GLU 90 -4.199 13.169 0.330 720 HA GLU 90 HA GLU 90 -6.204 11.216 -0.269 721 1HB GLU 90 2HB GLU 90 -4.190 12.742 -1.734 722 2HB GLU 90 1HB GLU 90 -4.383 11.112 -2.378 723 1HG GLU 90 2HG GLU 90 -5.959 12.646 -3.472 724 2HG GLU 90 1HG GLU 90 -6.835 11.464 -2.500 725 H ARG 91 H ARG 91 -2.641 10.933 -0.127 726 HA ARG 91 HA ARG 91 -2.473 8.172 -0.724 727 1HB ARG 91 2HB ARG 91 -0.675 10.150 -0.058 728 2HB ARG 91 1HB ARG 91 -0.594 9.086 1.346 729 1HG ARG 91 2HG ARG 91 0.687 7.668 0.163 730 2HG ARG 91 1HG ARG 91 -0.665 7.411 -0.941 731 1HD ARG 91 2HD ARG 91 0.610 8.376 -2.536 732 2HD ARG 91 1HD ARG 91 0.345 9.899 -1.689 733 HE ARG 91 HE ARG 91 2.558 8.342 -0.592 734 1HH1 ARG 91 1HH1 ARG 91 1.911 9.834 -3.551 735 2HH1 ARG 91 2HH1 ARG 91 3.289 10.882 -3.516 736 1HH2 ARG 91 1HH2 ARG 91 4.183 10.036 -0.276 737 2HH2 ARG 91 2HH2 ARG 91 4.576 10.994 -1.664 738 H ALA 92 H ALA 92 -3.038 9.811 2.380 739 HA ALA 92 HA ALA 92 -2.869 7.566 4.082 740 1HB ALA 92 1HB ALA 92 -3.104 9.637 5.177 741 2HB ALA 92 2HB ALA 92 -4.672 8.873 5.433 742 3HB ALA 92 3HB ALA 92 -4.485 10.107 4.187 743 H ASP 93 H ASP 93 -5.644 8.769 2.192 744 HA ASP 93 HA ASP 93 -7.531 6.855 3.144 745 1HB ASP 93 2HB ASP 93 -7.424 8.893 1.107 746 2HB ASP 93 1HB ASP 93 -8.156 7.432 0.443 747 H LEU 94 H LEU 94 -5.084 6.693 0.607 748 HA LEU 94 HA LEU 94 -6.027 4.297 -0.649 749 1HB LEU 94 2HB LEU 94 -3.187 5.333 -0.396 750 2HB LEU 94 1HB LEU 94 -3.743 4.124 -1.553 751 HG LEU 94 HG LEU 94 -5.078 6.817 -1.418 752 1HD1 LEU 94 1HD1 LEU 94 -2.990 6.453 -3.477 753 2HD1 LEU 94 2HD1 LEU 94 -2.378 6.637 -1.832 754 3HD1 LEU 94 3HD1 LEU 94 -3.406 7.885 -2.535 755 1HD2 LEU 94 1HD2 LEU 94 -6.211 5.176 -2.758 756 2HD2 LEU 94 2HD2 LEU 94 -4.703 4.656 -3.509 757 3HD2 LEU 94 3HD2 LEU 94 -5.373 6.244 -3.884 758 H ILE 95 H ILE 95 -3.467 4.754 1.821 759 HA ILE 95 HA ILE 95 -2.966 1.984 2.232 760 HB ILE 95 HB ILE 95 -2.802 3.980 4.478 761 1HG1 ILE 95 2HG1 ILE 95 -1.909 5.316 2.751 762 2HG1 ILE 95 1HG1 ILE 95 -0.489 4.520 3.425 763 1HG2 ILE 95 1HG2 ILE 95 -2.122 1.584 4.773 764 2HG2 ILE 95 2HG2 ILE 95 -0.802 2.723 5.034 765 3HG2 ILE 95 3HG2 ILE 95 -0.902 1.820 3.522 766 1HD1 ILE 95 1HD1 ILE 95 -1.785 4.153 0.781 767 2HD1 ILE 95 2HD1 ILE 95 -1.210 2.683 1.568 768 3HD1 ILE 95 3HD1 ILE 95 -0.086 4.001 1.234 769 H ALA 96 H ALA 96 -5.325 4.173 3.716 770 HA ALA 96 HA ALA 96 -6.268 2.466 5.760 771 1HB ALA 96 1HB ALA 96 -7.859 4.432 4.090 772 2HB ALA 96 2HB ALA 96 -6.942 4.831 5.543 773 3HB ALA 96 3HB ALA 96 -8.352 3.777 5.652 774 H TYR 97 H TYR 97 -7.376 2.739 2.372 775 HA TYR 97 HA TYR 97 -9.442 0.803 2.544 776 1HB TYR 97 2HB TYR 97 -9.262 2.257 0.605 777 2HB TYR 97 1HB TYR 97 -7.680 1.586 0.207 778 HD1 TYR 97 HD1 TYR 97 -7.836 0.282 -1.724 779 HD2 TYR 97 HD2 TYR 97 -10.927 0.026 1.246 780 HE1 TYR 97 HE1 TYR 97 -8.932 -1.526 -3.019 781 HE2 TYR 97 HE2 TYR 97 -12.024 -1.782 -0.049 782 HH TYR 97 HH TYR 97 -11.108 -2.551 -3.269 783 H LEU 98 H LEU 98 -6.075 0.409 1.410 784 HA LEU 98 HA LEU 98 -6.252 -2.439 1.133 785 1HB LEU 98 2HB LEU 98 -4.026 -0.444 1.290 786 2HB LEU 98 1HB LEU 98 -3.632 -2.150 1.497 787 HG LEU 98 HG LEU 98 -3.429 -1.592 -0.857 788 1HD1 LEU 98 1HD1 LEU 98 -4.695 -3.738 0.026 789 2HD1 LEU 98 2HD1 LEU 98 -4.659 -3.376 -1.700 790 3HD1 LEU 98 3HD1 LEU 98 -6.087 -2.977 -0.746 791 1HD2 LEU 98 1HD2 LEU 98 -4.965 -0.350 -2.047 792 2HD2 LEU 98 2HD2 LEU 98 -5.276 0.310 -0.442 793 3HD2 LEU 98 3HD2 LEU 98 -6.332 -0.939 -1.102 794 H LYS 99 H LYS 99 -6.036 -0.440 3.913 795 HA LYS 99 HA LYS 99 -4.713 -2.415 5.589 796 1HB LYS 99 2HB LYS 99 -5.119 0.289 5.805 797 2HB LYS 99 1HB LYS 99 -6.315 -0.349 6.935 798 1HG LYS 99 2HG LYS 99 -3.834 -1.798 7.222 799 2HG LYS 99 1HG LYS 99 -3.538 -0.065 7.375 800 1HD LYS 99 2HD LYS 99 -5.504 0.018 8.981 801 2HD LYS 99 1HD LYS 99 -5.491 -1.745 8.965 802 1HE LYS 99 2HE LYS 99 -4.117 -1.322 10.791 803 2HE LYS 99 1HE LYS 99 -2.920 -1.414 9.499 804 1HZ LYS 99 1HZ LYS 99 -3.928 1.195 9.595 805 2HZ LYS 99 2HZ LYS 99 -2.348 0.664 9.920 806 3HZ LYS 99 3HZ LYS 99 -3.494 0.749 11.172 807 H LYS 100 H LYS 100 -8.019 -1.589 4.755 808 HA LYS 100 HA LYS 100 -9.006 -3.482 6.832 809 1HB LYS 100 2HB LYS 100 -10.082 -1.250 6.720 810 2HB LYS 100 1HB LYS 100 -10.550 -1.574 5.050 811 1HG LYS 100 2HG LYS 100 -11.302 -3.685 6.977 812 2HG LYS 100 1HG LYS 100 -12.124 -2.142 7.211 813 1HD LYS 100 2HD LYS 100 -13.120 -2.197 5.099 814 2HD LYS 100 1HD LYS 100 -11.905 -3.296 4.445 815 1HE LYS 100 2HE LYS 100 -13.576 -4.837 4.747 816 2HE LYS 100 1HE LYS 100 -12.927 -4.874 6.386 817 1HZ LYS 100 1HZ LYS 100 -14.543 -3.143 6.985 818 2HZ LYS 100 2HZ LYS 100 -15.294 -4.574 6.462 819 3HZ LYS 100 3HZ LYS 100 -15.205 -3.231 5.426 820 H ALA 101 H ALA 101 -9.627 -2.749 3.381 821 HA ALA 101 HA ALA 101 -11.024 -5.154 2.827 822 1HB ALA 101 1HB ALA 101 -9.359 -3.387 1.015 823 2HB ALA 101 2HB ALA 101 -11.104 -3.306 1.263 824 3HB ALA 101 3HB ALA 101 -10.394 -4.693 0.438 825 H THR 102 H THR 102 -7.599 -4.539 3.159 826 HA THR 102 HA THR 102 -7.130 -7.434 2.676 827 HB THR 102 HB THR 102 -4.876 -6.111 1.611 828 HG1 THR 102 HG1 THR 102 -7.338 -5.104 0.626 829 1HG2 THR 102 1HG2 THR 102 -5.768 -8.284 0.901 830 2HG2 THR 102 2HG2 THR 102 -5.620 -7.199 -0.480 831 3HG2 THR 102 3HG2 THR 102 -7.201 -7.493 0.245 832 H ASN 103 H ASN 103 -7.236 -6.254 5.193 833 HA ASN 103 HA ASN 103 -4.810 -7.046 6.376 834 1HB ASN 103 2HB ASN 103 -4.362 -4.692 5.031 835 2HB ASN 103 1HB ASN 103 -4.734 -4.116 6.656 836 1HD2 ASN 103 1HD2 ASN 103 -2.544 -3.584 7.253 837 2HD2 ASN 103 2HD2 ASN 103 -1.339 -4.765 7.434 838 H GLU 104 HN GLU 104 -7.460 -7.367 7.076 839 HA GLU 104 HA GLU 104 -7.566 -5.852 9.646 840 1HB GLU 104 2HB GLU 104 -9.222 -4.971 7.939 841 2HB GLU 104 1HB GLU 104 -10.005 -6.549 7.992 842 1HG GLU 104 2HG GLU 104 -9.774 -5.951 10.664 843 2HG GLU 104 1HG GLU 104 -10.061 -4.359 9.961 844 HHA HEC 105 HHA HEC 105 4.099 -2.912 -8.835 845 HHB HEC 105 HHB HEC 105 1.190 0.763 -4.584 846 HHC HEC 105 HHC HEC 105 -1.718 3.872 -9.262 847 HHD HEC 105 HHD HEC 105 1.149 0.169 -13.500 848 1HMA HEC 105 1HMA HEC 105 2.209 -1.969 -3.639 849 2HMA HEC 105 2HMA HEC 105 2.770 -0.299 -3.589 850 3HMA HEC 105 3HMA HEC 105 3.932 -1.614 -3.762 851 1HAA HEC 105 1HAA HEC 105 4.906 -2.865 -5.220 852 2HAA HEC 105 2HAA HEC 105 5.151 -3.064 -6.943 853 1HBA HEC 105 1HBA HEC 105 2.848 -4.437 -6.671 854 2HBA HEC 105 2HBA HEC 105 3.523 -4.678 -5.060 855 1HMB HEC 105 1HMB HEC 105 -1.450 2.190 -3.920 856 2HMB HEC 105 2HMB HEC 105 -0.818 3.828 -4.074 857 3HMB HEC 105 3HMB HEC 105 0.280 2.488 -3.752 858 HAB HEC 105 HAB HEC 105 -2.088 4.931 -7.534 859 1HBB HEC 105 1HBB HEC 105 -2.055 5.164 -4.610 860 2HBB HEC 105 2HBB HEC 105 -0.538 5.433 -5.469 861 3HBB HEC 105 3HBB HEC 105 -1.959 6.397 -5.867 862 1HMC HEC 105 1HMC HEC 105 -2.438 3.863 -12.986 863 2HMC HEC 105 2HMC HEC 105 -2.912 3.882 -11.287 864 3HMC HEC 105 3HMC HEC 105 -1.604 4.924 -11.850 865 HAC HEC 105 HAC HEC 105 -0.152 1.298 -14.522 866 1HBC HEC 105 1HBC HEC 105 -0.988 4.126 -14.155 867 2HBC HEC 105 2HBC HEC 105 -1.182 3.294 -15.698 868 3HBC HEC 105 3HBC HEC 105 0.421 3.465 -14.984 869 1HMD HEC 105 1HMD HEC 105 2.272 -2.465 -14.186 870 2HMD HEC 105 2HMD HEC 105 2.951 -0.843 -14.324 871 3HMD HEC 105 3HMD HEC 105 4.007 -2.216 -13.995 872 1HAD HEC 105 1HAD HEC 105 5.429 -2.946 -11.628 873 2HAD HEC 105 2HAD HEC 105 4.434 -3.939 -10.580 874 1HBD HEC 105 1HBD HEC 105 3.212 -3.985 -13.135 875 2HBD HEC 105 2HBD HEC 105 4.032 -5.304 -12.305 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 -8.916 10.349 6.774 2 2H GLY 1 2HT GLY 1 -9.825 9.188 5.930 3 3H GLY 1 3HT GLY 1 -9.463 8.957 7.573 4 1HA GLY 1 1HA GLY 1 -10.850 10.778 8.217 5 2HA GLY 1 2HA GLY 1 -11.133 11.174 6.522 6 H ASP 2 H ASP 2 -12.239 9.471 5.207 7 HA ASP 2 HA ASP 2 -14.050 7.814 6.920 8 1HB ASP 2 2HB ASP 2 -14.732 9.873 5.142 9 2HB ASP 2 1HB ASP 2 -15.104 8.383 4.273 10 H VAL 3 H VAL 3 -14.933 5.875 5.711 11 HA VAL 3 HA VAL 3 -12.704 4.576 4.254 12 HB VAL 3 HB VAL 3 -13.850 3.407 6.149 13 1HG1 VAL 3 1HG1 VAL 3 -16.192 3.040 4.289 14 2HG1 VAL 3 2HG1 VAL 3 -16.131 4.414 5.393 15 3HG1 VAL 3 3HG1 VAL 3 -16.112 2.769 6.031 16 1HG2 VAL 3 1HG2 VAL 3 -12.712 2.122 4.371 17 2HG2 VAL 3 2HG2 VAL 3 -14.196 2.126 3.418 18 3HG2 VAL 3 3HG2 VAL 3 -14.136 1.260 4.954 19 H GLU 4 H GLU 4 -16.085 5.530 3.781 20 HA GLU 4 HA GLU 4 -16.418 4.292 1.215 21 1HB GLU 4 2HB GLU 4 -17.760 6.791 2.298 22 2HB GLU 4 1HB GLU 4 -18.335 5.802 0.955 23 1HG GLU 4 2HG GLU 4 -17.960 3.957 3.000 24 2HG GLU 4 1HG GLU 4 -18.621 5.365 3.832 25 H LYS 5 H LYS 5 -14.512 6.930 2.205 26 HA LYS 5 HA LYS 5 -14.569 8.249 -0.442 27 1HB LYS 5 2HB LYS 5 -13.411 8.875 2.243 28 2HB LYS 5 1HB LYS 5 -12.629 9.575 0.827 29 1HG LYS 5 2HG LYS 5 -14.593 10.726 0.169 30 2HG LYS 5 1HG LYS 5 -15.616 9.749 1.223 31 1HD LYS 5 2HD LYS 5 -14.509 10.736 3.204 32 2HD LYS 5 1HD LYS 5 -13.514 11.733 2.143 33 1HE LYS 5 2HE LYS 5 -15.673 12.653 1.170 34 2HE LYS 5 1HE LYS 5 -16.519 11.837 2.485 35 1HZ LYS 5 1HZ LYS 5 -14.246 13.636 3.035 36 2HZ LYS 5 2HZ LYS 5 -15.504 13.159 4.071 37 3HZ LYS 5 3HZ LYS 5 -15.807 14.259 2.813 38 H GLY 6 H GLY 6 -12.099 6.756 1.682 39 1HA GLY 6 1HA GLY 6 -9.983 6.748 -0.190 40 2HA GLY 6 2HA GLY 6 -10.147 5.582 1.123 41 H LYS 7 H LYS 7 -12.606 4.393 0.288 42 HA LYS 7 HA LYS 7 -11.714 2.359 -1.442 43 1HB LYS 7 2HB LYS 7 -13.698 1.974 -0.156 44 2HB LYS 7 1HB LYS 7 -14.504 3.377 -0.859 45 1HG LYS 7 2HG LYS 7 -14.657 2.319 -3.010 46 2HG LYS 7 1HG LYS 7 -13.599 1.001 -2.503 47 1HD LYS 7 2HD LYS 7 -15.243 -0.003 -1.200 48 2HD LYS 7 1HD LYS 7 -16.121 1.508 -0.962 49 1HE LYS 7 2HE LYS 7 -17.494 0.396 -2.493 50 2HE LYS 7 1HE LYS 7 -16.493 1.385 -3.556 51 1HZ LYS 7 1HZ LYS 7 -16.343 -0.693 -4.505 52 2HZ LYS 7 2HZ LYS 7 -16.330 -1.505 -3.013 53 3HZ LYS 7 3HZ LYS 7 -14.951 -0.660 -3.537 54 H LYS 8 H LYS 8 -13.337 5.421 -2.217 55 HA LYS 8 HA LYS 8 -13.570 4.807 -5.048 56 1HB LYS 8 2HB LYS 8 -14.735 6.665 -3.444 57 2HB LYS 8 1HB LYS 8 -13.486 7.649 -4.208 58 1HG LYS 8 2HG LYS 8 -14.295 7.179 -6.391 59 2HG LYS 8 1HG LYS 8 -15.289 5.839 -5.817 60 1HD LYS 8 2HD LYS 8 -16.934 7.229 -4.986 61 2HD LYS 8 1HD LYS 8 -15.808 8.549 -4.672 62 1HE LYS 8 2HE LYS 8 -15.615 8.382 -7.376 63 2HE LYS 8 1HE LYS 8 -17.290 7.880 -7.148 64 1HZ LYS 8 1HZ LYS 8 -17.670 9.875 -5.837 65 2HZ LYS 8 2HZ LYS 8 -17.124 10.270 -7.397 66 3HZ LYS 8 3HZ LYS 8 -16.062 10.361 -6.074 67 H ILE 9 H ILE 9 -11.118 6.226 -2.991 68 HA ILE 9 HA ILE 9 -9.589 7.562 -4.994 69 HB ILE 9 HB ILE 9 -8.681 6.190 -2.445 70 1HG1 ILE 9 2HG1 ILE 9 -9.265 9.104 -3.068 71 2HG1 ILE 9 1HG1 ILE 9 -10.343 8.031 -2.173 72 1HG2 ILE 9 1HG2 ILE 9 -6.710 7.733 -2.679 73 2HG2 ILE 9 2HG2 ILE 9 -7.275 8.133 -4.300 74 3HG2 ILE 9 3HG2 ILE 9 -6.777 6.484 -3.920 75 1HD1 ILE 9 1HD1 ILE 9 -7.849 9.350 -1.298 76 2HD1 ILE 9 2HD1 ILE 9 -7.998 7.658 -0.822 77 3HD1 ILE 9 3HD1 ILE 9 -9.237 8.819 -0.348 78 H PHE 10 H PHE 10 -8.874 4.351 -3.540 79 HA PHE 10 HA PHE 10 -7.051 3.601 -5.617 80 1HB PHE 10 2HB PHE 10 -7.275 2.492 -3.339 81 2HB PHE 10 1HB PHE 10 -8.723 1.696 -3.956 82 HD1 PHE 10 HD1 PHE 10 -5.070 1.833 -4.065 83 HD2 PHE 10 HD2 PHE 10 -8.566 0.084 -5.852 84 HE1 PHE 10 HE1 PHE 10 -3.657 0.103 -5.144 85 HE2 PHE 10 HE2 PHE 10 -7.138 -1.647 -6.928 86 HZ PHE 10 HZ PHE 10 -4.704 -1.637 -6.577 87 H ILE 11 H ILE 11 -10.527 3.018 -5.155 88 HA ILE 11 HA ILE 11 -10.926 1.366 -7.446 89 HB ILE 11 HB ILE 11 -12.734 3.220 -5.892 90 1HG1 ILE 11 2HG1 ILE 11 -11.916 0.989 -4.975 91 2HG1 ILE 11 1HG1 ILE 11 -13.668 1.175 -5.054 92 1HG2 ILE 11 1HG2 ILE 11 -13.930 3.337 -7.854 93 2HG2 ILE 11 2HG2 ILE 11 -14.500 1.761 -7.303 94 3HG2 ILE 11 3HG2 ILE 11 -13.211 1.863 -8.503 95 1HD1 ILE 11 1HD1 ILE 11 -13.881 -0.494 -6.566 96 2HD1 ILE 11 2HD1 ILE 11 -12.223 -0.928 -6.144 97 3HD1 ILE 11 3HD1 ILE 11 -12.537 0.111 -7.536 98 H MET 12 H MET 12 -10.263 4.741 -7.153 99 HA MET 12 HA MET 12 -10.819 5.053 -10.075 100 1HB MET 12 2HB MET 12 -12.445 6.283 -8.542 101 2HB MET 12 1HB MET 12 -11.077 7.279 -8.042 102 1HG MET 12 2HG MET 12 -11.771 8.574 -9.803 103 2HG MET 12 1HG MET 12 -10.779 7.439 -10.719 104 1HE MET 12 1HE MET 12 -12.793 7.136 -13.373 105 2HE MET 12 2HE MET 12 -11.760 8.273 -12.509 106 3HE MET 12 3HE MET 12 -13.472 8.632 -12.718 107 H LYS 13 H LYS 13 -8.360 4.514 -8.251 108 HA LYS 13 HA LYS 13 -6.682 6.640 -9.510 109 1HB LYS 13 2HB LYS 13 -7.031 6.991 -7.018 110 2HB LYS 13 1HB LYS 13 -6.160 5.478 -6.763 111 1HG LYS 13 2HG LYS 13 -4.168 6.464 -7.127 112 2HG LYS 13 1HG LYS 13 -4.743 7.222 -8.612 113 1HD LYS 13 2HD LYS 13 -6.042 8.556 -6.477 114 2HD LYS 13 1HD LYS 13 -4.343 8.420 -6.024 115 1HE LYS 13 2HE LYS 13 -4.730 10.479 -7.319 116 2HE LYS 13 1HE LYS 13 -3.686 9.371 -8.210 117 1HZ LYS 13 1HZ LYS 13 -5.487 10.351 -9.565 118 2HZ LYS 13 2HZ LYS 13 -6.625 9.557 -8.585 119 3HZ LYS 13 3HZ LYS 13 -5.531 8.656 -9.521 120 H CYS 14 H CYS 14 -6.566 3.447 -7.884 121 HA CYS 14 HA CYS 14 -4.549 2.657 -9.945 122 1HB CYS 14 2HB CYS 14 -4.365 1.148 -7.432 123 2HB CYS 14 1HB CYS 14 -3.085 1.893 -8.381 124 H SER 15 H SER 15 -7.565 2.311 -9.646 125 HA SER 15 HA SER 15 -7.841 -0.602 -9.275 126 1HB SER 15 2HB SER 15 -9.563 1.319 -8.685 127 2HB SER 15 1HB SER 15 -10.030 1.125 -10.368 128 HG SER 15 HG SER 15 -11.027 -0.623 -9.793 129 H GLN 16 H GLN 16 -6.810 1.342 -11.758 130 HA GLN 16 HA GLN 16 -8.115 -0.214 -13.912 131 1HB GLN 16 2HB GLN 16 -6.267 2.177 -13.869 132 2HB GLN 16 1HB GLN 16 -6.627 1.311 -15.363 133 1HG GLN 16 2HG GLN 16 -9.083 1.635 -14.847 134 2HG GLN 16 1HG GLN 16 -8.594 2.708 -13.535 135 1HE2 GLN 16 1HE2 GLN 16 -9.555 4.581 -14.640 136 2HE2 GLN 16 2HE2 GLN 16 -8.809 5.267 -16.001 137 H CYS 17 H CYS 17 -4.873 0.457 -12.613 138 HA CYS 17 HA CYS 17 -3.756 -1.739 -14.246 139 1HB CYS 17 2HB CYS 17 -2.609 0.461 -12.549 140 2HB CYS 17 1HB CYS 17 -1.628 -0.970 -12.865 141 H HIS 18 H HIS 18 -4.526 -0.937 -10.877 142 HA HIS 18 HA HIS 18 -3.744 -3.724 -10.107 143 1HB HIS 18 2HB HIS 18 -4.207 -1.309 -8.342 144 2HB HIS 18 1HB HIS 18 -3.744 -2.912 -7.784 145 HD1 HIS 18 HD1 HIS 18 -1.303 -3.529 -7.913 146 HD2 HIS 18 HD2 HIS 18 -2.161 0.020 -9.891 147 HE1 HIS 18 HE1 HIS 18 0.924 -2.449 -8.426 148 H THR 19 H THR 19 -5.821 -4.585 -10.899 149 HA THR 19 HA THR 19 -8.273 -3.567 -9.666 150 HB THR 19 HB THR 19 -9.197 -5.775 -10.711 151 HG1 THR 19 HG1 THR 19 -7.711 -6.993 -11.511 152 1HG2 THR 19 1HG2 THR 19 -9.854 -4.319 -12.286 153 2HG2 THR 19 2HG2 THR 19 -8.256 -4.382 -13.029 154 3HG2 THR 19 3HG2 THR 19 -8.594 -3.203 -11.762 155 H VAL 20 H VAL 20 -8.185 -3.850 -7.445 156 HA VAL 20 HA VAL 20 -7.261 -6.402 -6.317 157 HB VAL 20 HB VAL 20 -7.429 -5.327 -4.198 158 1HG1 VAL 20 1HG1 VAL 20 -6.558 -3.501 -6.425 159 2HG1 VAL 20 2HG1 VAL 20 -5.563 -4.402 -5.281 160 3HG1 VAL 20 3HG1 VAL 20 -6.455 -2.979 -4.744 161 1HG2 VAL 20 1HG2 VAL 20 -9.663 -4.011 -5.453 162 2HG2 VAL 20 2HG2 VAL 20 -8.585 -2.794 -4.768 163 3HG2 VAL 20 3HG2 VAL 20 -9.244 -4.066 -3.740 164 H GLU 21 H GLU 21 -9.682 -6.443 -7.994 165 HA GLU 21 HA GLU 21 -11.419 -7.860 -6.097 166 1HB GLU 21 2HB GLU 21 -12.085 -5.196 -7.207 167 2HB GLU 21 1HB GLU 21 -13.359 -6.408 -7.347 168 1HG GLU 21 2HG GLU 21 -12.952 -6.915 -4.872 169 2HG GLU 21 1HG GLU 21 -11.990 -5.436 -4.831 170 H LYS 22 H LYS 22 -9.782 -8.203 -8.665 171 HA LYS 22 HA LYS 22 -11.849 -8.959 -10.624 172 1HB LYS 22 2HB LYS 22 -9.411 -7.981 -11.019 173 2HB LYS 22 1HB LYS 22 -8.962 -9.684 -10.934 174 1HG LYS 22 2HG LYS 22 -9.640 -9.939 -13.064 175 2HG LYS 22 1HG LYS 22 -11.281 -9.523 -12.566 176 1HD LYS 22 2HD LYS 22 -11.083 -7.330 -13.247 177 2HD LYS 22 1HD LYS 22 -9.349 -7.278 -12.925 178 1HE LYS 22 2HE LYS 22 -8.914 -7.718 -15.087 179 2HE LYS 22 1HE LYS 22 -9.834 -9.219 -14.979 180 1HZ LYS 22 1HZ LYS 22 -10.872 -7.918 -16.624 181 2HZ LYS 22 2HZ LYS 22 -10.839 -6.517 -15.662 182 3HZ LYS 22 3HZ LYS 22 -11.870 -7.805 -15.257 183 H GLY 23 H GLY 23 -9.077 -10.714 -9.169 184 1HA GLY 23 2HA GLY 23 -10.128 -12.816 -7.888 185 2HA GLY 23 1HA GLY 23 -10.567 -13.247 -9.541 186 H GLY 24 H GLY 24 -7.675 -12.113 -7.746 187 1HA GLY 24 1HA GLY 24 -5.448 -12.843 -7.868 188 2HA GLY 24 2HA GLY 24 -6.090 -14.388 -8.428 189 H LYS 25 H LYS 25 -7.115 -11.754 -10.323 190 HA LYS 25 HA LYS 25 -5.234 -12.590 -12.472 191 1HB LYS 25 2HB LYS 25 -7.816 -12.515 -12.743 192 2HB LYS 25 1HB LYS 25 -7.607 -10.765 -12.836 193 1HG LYS 25 2HG LYS 25 -6.645 -10.862 -14.897 194 2HG LYS 25 1HG LYS 25 -5.741 -12.327 -14.513 195 1HD LYS 25 2HD LYS 25 -7.772 -13.678 -14.792 196 2HD LYS 25 1HD LYS 25 -8.708 -12.221 -15.132 197 1HE LYS 25 2HE LYS 25 -6.291 -12.520 -16.793 198 2HE LYS 25 1HE LYS 25 -7.508 -13.770 -17.052 199 1HZ LYS 25 1HZ LYS 25 -7.531 -11.236 -18.086 200 2HZ LYS 25 2HZ LYS 25 -8.677 -11.180 -16.833 201 3HZ LYS 25 3HZ LYS 25 -8.828 -12.329 -18.075 202 H HIS 26 H HIS 26 -4.210 -10.904 -13.782 203 HA HIS 26 HA HIS 26 -4.204 -8.165 -12.718 204 1HB HIS 26 2HB HIS 26 -1.498 -8.567 -12.910 205 2HB HIS 26 1HB HIS 26 -2.394 -8.563 -11.396 206 HD1 HIS 26 HD1 HIS 26 -2.430 -11.325 -14.009 207 HD2 HIS 26 HD2 HIS 26 -1.080 -10.671 -10.115 208 HE1 HIS 26 HE1 HIS 26 -1.638 -13.567 -13.140 209 H LYS 27 H LYS 27 -4.293 -6.918 -14.515 210 HA LYS 27 HA LYS 27 -3.314 -8.010 -17.064 211 1HB LYS 27 2HB LYS 27 -5.532 -7.036 -17.121 212 2HB LYS 27 1HB LYS 27 -4.933 -5.540 -16.407 213 1HG LYS 27 2HG LYS 27 -4.670 -4.806 -18.530 214 2HG LYS 27 1HG LYS 27 -3.280 -5.888 -18.607 215 1HD LYS 27 2HD LYS 27 -4.912 -7.726 -19.289 216 2HD LYS 27 1HD LYS 27 -6.115 -6.453 -19.497 217 1HE LYS 27 2HE LYS 27 -3.492 -6.773 -20.971 218 2HE LYS 27 1HE LYS 27 -5.119 -6.790 -21.650 219 1HZ LYS 27 1HZ LYS 27 -5.185 -4.430 -20.527 220 2HZ LYS 27 2HZ LYS 27 -4.538 -4.653 -22.082 221 3HZ LYS 27 3HZ LYS 27 -3.506 -4.528 -20.739 222 H THR 28 H THR 28 -3.313 -4.590 -16.203 223 HA THR 28 HA THR 28 -0.518 -4.406 -17.123 224 HB THR 28 HB THR 28 -2.554 -2.324 -16.284 225 HG1 THR 28 HG1 THR 28 -2.894 -2.178 -18.355 226 1HG2 THR 28 1HG2 THR 28 -0.919 -0.644 -16.983 227 2HG2 THR 28 2HG2 THR 28 0.254 -1.910 -17.352 228 3HG2 THR 28 3HG2 THR 28 -0.243 -1.626 -15.684 229 H GLY 29 H GLY 29 -2.376 -3.767 -14.143 230 1HA GLY 29 2HA GLY 29 0.196 -3.366 -12.710 231 2HA GLY 29 1HA GLY 29 -1.383 -2.919 -12.086 232 HA PRO 30 HA PRO 30 0.074 -7.314 -10.782 233 1HB PRO 30 2HB PRO 30 1.181 -6.661 -8.362 234 2HB PRO 30 1HB PRO 30 2.108 -6.853 -9.855 235 1HG PRO 30 2HG PRO 30 1.244 -4.324 -8.488 236 2HG PRO 30 1HG PRO 30 2.725 -4.661 -9.403 237 1HD PRO 30 2HD PRO 30 0.593 -3.260 -10.458 238 2HD PRO 30 1HD PRO 30 1.751 -4.187 -11.429 239 H ASN 31 H ASN 31 -1.455 -8.446 -9.794 240 HA ASN 31 HA ASN 31 -3.839 -7.385 -8.788 241 1HB ASN 31 2HB ASN 31 -3.459 -9.787 -9.378 242 2HB ASN 31 1HB ASN 31 -2.572 -9.979 -7.864 243 1HD2 ASN 31 1HD2 ASN 31 -5.649 -8.257 -8.664 244 2HD2 ASN 31 2HD2 ASN 31 -6.563 -9.040 -7.468 245 H LEU 32 H LEU 32 -3.711 -5.772 -7.267 246 HA LEU 32 HA LEU 32 -1.985 -5.985 -4.936 247 1HB LEU 32 2HB LEU 32 -3.614 -3.945 -6.226 248 2HB LEU 32 1HB LEU 32 -3.817 -3.926 -4.477 249 HG LEU 32 HG LEU 32 -1.568 -3.419 -4.089 250 1HD1 LEU 32 1HD1 LEU 32 -0.071 -3.632 -6.380 251 2HD1 LEU 32 2HD1 LEU 32 -1.172 -5.001 -6.541 252 3HD1 LEU 32 3HD1 LEU 32 -0.143 -4.860 -5.116 253 1HD2 LEU 32 1HD2 LEU 32 -0.982 -1.922 -6.310 254 2HD2 LEU 32 2HD2 LEU 32 -2.033 -1.384 -5.000 255 3HD2 LEU 32 3HD2 LEU 32 -2.731 -2.094 -6.455 256 H HIS 33 H HIS 33 -3.120 -8.145 -4.338 257 HA HIS 33 HA HIS 33 -5.664 -7.636 -2.871 258 1HB HIS 33 2HB HIS 33 -5.420 -9.622 -4.469 259 2HB HIS 33 1HB HIS 33 -4.319 -10.316 -3.276 260 HD1 HIS 33 HD1 HIS 33 -5.580 -11.989 -1.926 261 HD2 HIS 33 HD2 HIS 33 -7.900 -8.622 -2.740 262 HE1 HIS 33 HE1 HIS 33 -7.785 -12.331 -0.726 263 H GLY 34 H GLY 34 -2.614 -9.440 -2.329 264 1HA GLY 34 2HA GLY 34 -2.846 -8.704 0.562 265 2HA GLY 34 1HA GLY 34 -2.040 -10.162 -0.022 266 H LEU 35 H LEU 35 -1.748 -6.930 -1.435 267 HA LEU 35 HA LEU 35 1.018 -6.958 -1.797 268 1HB LEU 35 2HB LEU 35 -0.395 -5.201 -2.738 269 2HB LEU 35 1HB LEU 35 -0.744 -4.584 -1.123 270 HG LEU 35 HG LEU 35 1.836 -4.370 -0.890 271 1HD1 LEU 35 1HD1 LEU 35 1.446 -4.787 -3.851 272 2HD1 LEU 35 2HD1 LEU 35 2.645 -5.519 -2.785 273 3HD1 LEU 35 3HD1 LEU 35 2.791 -3.822 -3.243 274 1HD2 LEU 35 1HD2 LEU 35 -0.076 -2.579 -1.405 275 2HD2 LEU 35 2HD2 LEU 35 0.778 -2.468 -2.944 276 3HD2 LEU 35 3HD2 LEU 35 1.629 -2.128 -1.437 277 H PHE 36 H PHE 36 -0.784 -6.307 1.154 278 HA PHE 36 HA PHE 36 1.494 -5.238 2.607 279 1HB PHE 36 2HB PHE 36 -1.103 -6.420 3.635 280 2HB PHE 36 1HB PHE 36 0.044 -5.471 4.581 281 HD1 PHE 36 HD1 PHE 36 -2.320 -5.365 1.726 282 HD2 PHE 36 HD2 PHE 36 0.150 -3.079 4.396 283 HE1 PHE 36 HE1 PHE 36 -3.386 -3.276 0.924 284 HE2 PHE 36 HE2 PHE 36 -0.917 -0.989 3.594 285 HZ PHE 36 HZ PHE 36 -2.685 -1.087 1.857 286 H GLY 37 H GLY 37 3.139 -6.411 3.444 287 1HA GLY 37 2HA GLY 37 4.185 -8.205 4.595 288 2HA GLY 37 1HA GLY 37 2.659 -9.086 4.546 289 H ARG 38 H ARG 38 2.942 -8.133 1.468 290 HA ARG 38 HA ARG 38 4.448 -10.606 0.720 291 1HB ARG 38 2HB ARG 38 2.076 -10.612 0.042 292 2HB ARG 38 1HB ARG 38 2.318 -9.094 -0.825 293 1HG ARG 38 2HG ARG 38 4.086 -10.252 -2.200 294 2HG ARG 38 1HG ARG 38 3.609 -11.767 -1.432 295 1HD ARG 38 2HD ARG 38 1.913 -11.979 -2.892 296 2HD ARG 38 1HD ARG 38 1.238 -10.450 -2.332 297 HE ARG 38 HE ARG 38 2.562 -10.837 -4.835 298 1HH1 ARG 38 1HH2 ARG 38 0.874 -8.494 -3.520 299 2HH1 ARG 38 2HH2 ARG 38 1.960 -7.179 -3.823 300 1HH2 ARG 38 1HH1 ARG 38 4.634 -9.226 -4.644 301 2HH2 ARG 38 2HH1 ARG 38 4.088 -7.594 -4.460 302 H LYS 39 H LYS 39 6.511 -9.997 0.202 303 HA LYS 39 HA LYS 39 7.281 -7.412 -0.728 304 1HB LYS 39 2HB LYS 39 9.433 -8.372 -1.165 305 2HB LYS 39 1HB LYS 39 8.799 -9.218 0.247 306 1HG LYS 39 2HG LYS 39 8.005 -11.050 -1.221 307 2HG LYS 39 1HG LYS 39 8.685 -10.212 -2.617 308 1HD LYS 39 2HD LYS 39 10.928 -10.278 -1.446 309 2HD LYS 39 1HD LYS 39 10.192 -11.336 -0.241 310 1HE LYS 39 2HE LYS 39 10.340 -13.120 -1.610 311 2HE LYS 39 1HE LYS 39 9.576 -12.238 -2.932 312 1HZ LYS 39 1HZ LYS 39 12.432 -12.444 -2.248 313 2HZ LYS 39 2HZ LYS 39 11.863 -11.093 -3.105 314 3HZ LYS 39 3HZ LYS 39 11.674 -12.653 -3.750 315 H THR 40 H THR 40 7.804 -6.705 -2.856 316 HA THR 40 HA THR 40 6.036 -7.270 -4.928 317 HB THR 40 HB THR 40 7.292 -5.422 -5.473 318 HG1 THR 40 HG1 THR 40 7.571 -6.474 -7.322 319 1HG2 THR 40 1HG2 THR 40 8.958 -5.176 -3.930 320 2HG2 THR 40 2HG2 THR 40 9.968 -5.776 -5.242 321 3HG2 THR 40 3HG2 THR 40 9.405 -6.881 -3.992 322 H GLY 41 H GLY 41 6.838 -8.222 -7.166 323 1HA GLY 41 2HA GLY 41 7.302 -10.188 -8.354 324 2HA GLY 41 1HA GLY 41 8.713 -10.325 -7.308 325 H GLN 42 H GLN 42 5.398 -11.346 -7.800 326 HA GLN 42 HA GLN 42 5.887 -13.646 -6.020 327 1HB GLN 42 2HB GLN 42 4.611 -11.458 -4.945 328 2HB GLN 42 1HB GLN 42 3.254 -12.432 -5.514 329 1HG GLN 42 2HG GLN 42 3.801 -13.086 -3.228 330 2HG GLN 42 1HG GLN 42 4.222 -14.403 -4.324 331 1HE2 GLN 42 1HE2 GLN 42 6.059 -11.376 -3.762 332 2HE2 GLN 42 2HE2 GLN 42 7.455 -12.145 -3.184 333 H ALA 43 H ALA 43 3.565 -11.947 -8.129 334 HA ALA 43 HA ALA 43 1.885 -14.159 -8.701 335 1HB ALA 43 1HB ALA 43 2.610 -11.650 -10.189 336 2HB ALA 43 2HB ALA 43 1.059 -12.120 -9.494 337 3HB ALA 43 3HB ALA 43 1.626 -12.879 -10.981 338 HA PRO 44 HA PRO 44 4.516 -16.702 -11.154 339 1HB PRO 44 2HB PRO 44 2.551 -18.266 -12.268 340 2HB PRO 44 1HB PRO 44 3.100 -18.430 -10.590 341 1HG PRO 44 2HG PRO 44 0.568 -17.250 -11.627 342 2HG PRO 44 1HG PRO 44 0.905 -17.972 -10.045 343 1HD PRO 44 2HD PRO 44 0.766 -15.195 -10.623 344 2HD PRO 44 1HD PRO 44 1.373 -15.929 -9.123 345 H GLY 45 H GLY 45 1.488 -16.030 -12.972 346 1HA GLY 45 2HA GLY 45 3.034 -15.771 -15.462 347 2HA GLY 45 1HA GLY 45 1.276 -15.697 -15.320 348 H TYR 46 H TYR 46 3.817 -13.804 -13.681 349 HA TYR 46 HA TYR 46 3.152 -11.384 -15.184 350 1HB TYR 46 2HB TYR 46 1.294 -11.631 -13.473 351 2HB TYR 46 1HB TYR 46 2.517 -11.476 -12.220 352 HD1 TYR 46 HD1 TYR 46 4.059 -9.360 -14.269 353 HD2 TYR 46 HD2 TYR 46 0.221 -9.627 -12.401 354 HE1 TYR 46 HE1 TYR 46 3.857 -6.927 -14.363 355 HE2 TYR 46 HE2 TYR 46 0.048 -7.166 -12.500 356 HH TYR 46 HH TYR 46 1.186 -5.246 -12.840 357 H SER 47 H SER 47 5.197 -10.609 -15.462 358 HA SER 47 HA SER 47 7.286 -11.084 -13.458 359 1HB SER 47 2HB SER 47 7.206 -9.563 -16.076 360 2HB SER 47 1HB SER 47 8.618 -9.546 -15.023 361 HG SER 47 HG SER 47 8.837 -11.723 -15.296 362 H TYR 48 H TYR 48 6.023 -9.990 -11.736 363 HA TYR 48 HA TYR 48 5.091 -7.386 -11.599 364 1HB TYR 48 2HB TYR 48 6.368 -9.265 -9.705 365 2HB TYR 48 1HB TYR 48 6.309 -7.592 -9.188 366 HD1 TYR 48 HD1 TYR 48 3.836 -9.432 -11.284 367 HD2 TYR 48 HD2 TYR 48 4.726 -7.642 -7.498 368 HE1 TYR 48 HE1 TYR 48 1.495 -9.808 -10.561 369 HE2 TYR 48 HE2 TYR 48 2.378 -8.004 -6.767 370 HH TYR 48 HH TYR 48 0.002 -9.533 -8.952 371 H THR 49 H THR 49 6.378 -5.615 -10.180 372 HA THR 49 HA THR 49 8.458 -4.559 -11.808 373 HB THR 49 HB THR 49 8.832 -3.614 -9.143 374 HG1 THR 49 HG1 THR 49 6.936 -4.335 -8.430 375 1HG2 THR 49 1HG2 THR 49 7.340 -2.510 -11.534 376 2HG2 THR 49 2HG2 THR 49 9.032 -2.230 -11.119 377 3HG2 THR 49 3HG2 THR 49 7.752 -1.570 -10.099 378 H ALA 50 H ALA 50 9.956 -6.310 -12.114 379 HA ALA 50 HA ALA 50 11.222 -7.834 -10.123 380 1HB ALA 50 1HB ALA 50 11.481 -7.573 -12.858 381 2HB ALA 50 2HB ALA 50 12.500 -8.591 -11.839 382 3HB ALA 50 3HB ALA 50 13.030 -6.967 -12.274 383 H ALA 51 H ALA 51 12.003 -4.577 -11.298 384 HA ALA 51 HA ALA 51 14.467 -4.166 -10.046 385 1HB ALA 51 1HB ALA 51 12.180 -2.184 -10.227 386 2HB ALA 51 2HB ALA 51 13.367 -2.490 -11.491 387 3HB ALA 51 3HB ALA 51 13.875 -1.779 -9.960 388 H ASN 52 H ASN 52 11.326 -3.194 -8.546 389 HA ASN 52 HA ASN 52 12.358 -2.768 -5.960 390 1HB ASN 52 2HB ASN 52 9.818 -2.781 -7.118 391 2HB ASN 52 1HB ASN 52 9.733 -4.045 -5.893 392 1HD2 ASN 52 1HD2 ASN 52 8.406 -1.408 -5.731 393 2HD2 ASN 52 2HD2 ASN 52 9.051 -0.629 -4.367 394 H LYS 53 H LYS 53 11.213 -5.784 -7.457 395 HA LYS 53 HA LYS 53 11.286 -7.493 -5.236 396 1HB LYS 53 2HB LYS 53 10.496 -8.298 -7.376 397 2HB LYS 53 1HB LYS 53 12.077 -8.029 -8.111 398 1HG LYS 53 2HG LYS 53 13.029 -9.684 -6.452 399 2HG LYS 53 1HG LYS 53 11.372 -10.058 -5.975 400 1HD LYS 53 2HD LYS 53 10.843 -10.992 -8.059 401 2HD LYS 53 1HD LYS 53 12.163 -10.155 -8.876 402 1HE LYS 53 2HE LYS 53 12.828 -12.108 -6.704 403 2HE LYS 53 1HE LYS 53 12.369 -12.729 -8.290 404 1HZ LYS 53 1HZ LYS 53 14.338 -12.172 -9.100 405 2HZ LYS 53 2HZ LYS 53 14.841 -11.775 -7.528 406 3HZ LYS 53 3HZ LYS 53 14.194 -10.577 -8.545 407 H ASN 54 H ASN 54 13.985 -6.328 -7.214 408 HA ASN 54 HA ASN 54 15.905 -7.995 -5.801 409 1HB ASN 54 2HB ASN 54 16.050 -5.927 -7.963 410 2HB ASN 54 1HB ASN 54 17.523 -6.368 -7.098 411 1HD2 ASN 54 1HD2 ASN 54 15.296 -7.391 -9.551 412 2HD2 ASN 54 2HD2 ASN 54 15.983 -8.917 -9.835 413 H LYS 55 H LYS 55 14.584 -4.798 -5.417 414 HA LYS 55 HA LYS 55 16.773 -3.809 -3.796 415 1HB LYS 55 2HB LYS 55 14.963 -2.454 -5.097 416 2HB LYS 55 1HB LYS 55 13.972 -2.724 -3.661 417 1HG LYS 55 2HG LYS 55 15.394 -1.490 -2.280 418 2HG LYS 55 1HG LYS 55 16.782 -1.710 -3.346 419 1HD LYS 55 2HD LYS 55 15.739 -0.232 -5.022 420 2HD LYS 55 1HD LYS 55 14.347 -0.010 -3.961 421 1HE LYS 55 2HE LYS 55 15.533 1.289 -2.445 422 2HE LYS 55 1HE LYS 55 17.081 0.565 -2.880 423 1HZ LYS 55 1HZ LYS 55 15.497 2.411 -4.583 424 2HZ LYS 55 2HZ LYS 55 16.989 1.714 -4.999 425 3HZ LYS 55 3HZ LYS 55 16.896 2.823 -3.716 426 H GLY 56 H GLY 56 14.684 -6.254 -3.209 427 1HA GLY 56 1HA GLY 56 13.836 -7.252 -1.258 428 2HA GLY 56 2HA GLY 56 15.246 -6.532 -0.478 429 H ILE 57 H ILE 57 12.191 -5.285 -1.874 430 HA ILE 57 HA ILE 57 11.980 -3.503 0.506 431 HB ILE 57 HB ILE 57 11.893 -2.727 -2.025 432 1HG1 ILE 57 2HG1 ILE 57 11.564 -1.350 0.063 433 2HG1 ILE 57 1HG1 ILE 57 10.631 -0.792 -1.325 434 1HG2 ILE 57 1HG2 ILE 57 9.561 -2.562 -2.839 435 2HG2 ILE 57 2HG2 ILE 57 9.017 -3.522 -1.464 436 3HG2 ILE 57 3HG2 ILE 57 10.067 -4.244 -2.683 437 1HD1 ILE 57 1HD1 ILE 57 9.009 -2.707 -0.045 438 2HD1 ILE 57 2HD1 ILE 57 8.776 -0.958 -0.060 439 3HD1 ILE 57 3HD1 ILE 57 9.685 -1.716 1.248 440 H ILE 58 H ILE 58 10.356 -3.807 1.970 441 HA ILE 58 HA ILE 58 8.440 -6.014 1.433 442 HB ILE 58 HB ILE 58 9.841 -5.893 3.573 443 1HG1 ILE 58 2HG1 ILE 58 7.755 -7.263 3.287 444 2HG1 ILE 58 1HG1 ILE 58 8.021 -6.732 4.947 445 1HG2 ILE 58 1HG2 ILE 58 7.792 -3.909 4.520 446 2HG2 ILE 58 2HG2 ILE 58 9.264 -3.341 3.733 447 3HG2 ILE 58 3HG2 ILE 58 9.367 -4.297 5.212 448 1HD1 ILE 58 1HD1 ILE 58 6.023 -5.708 2.940 449 2HD1 ILE 58 2HD1 ILE 58 6.543 -4.689 4.283 450 3HD1 ILE 58 3HD1 ILE 58 5.752 -6.233 4.601 451 H TRP 59 H TRP 59 6.567 -5.329 0.501 452 HA TRP 59 HA TRP 59 5.687 -2.640 0.445 453 1HB TRP 59 2HB TRP 59 4.255 -5.250 -0.027 454 2HB TRP 59 1HB TRP 59 3.426 -3.698 -0.169 455 HD1 TRP 59 HD1 TRP 59 4.684 -5.986 -2.430 456 HE1 TRP 59 HE1 TRP 59 5.808 -4.932 -4.494 457 HE3 TRP 59 HE3 TRP 59 5.454 -1.237 -0.698 458 HZ2 TRP 59 HZ2 TRP 59 6.897 -2.416 -5.302 459 HZ3 TRP 59 HZ3 TRP 59 6.538 0.461 -2.136 460 HH2 TRP 59 HH2 TRP 59 7.258 -0.121 -4.435 461 H GLY 60 H GLY 60 5.325 -1.546 2.297 462 1HA GLY 60 1HA GLY 60 3.333 -2.712 4.193 463 2HA GLY 60 2HA GLY 60 4.795 -1.934 4.801 464 H GLU 61 H GLU 61 3.357 -0.385 5.887 465 HA GLU 61 HA GLU 61 1.655 1.357 4.283 466 1HB GLU 61 2HB GLU 61 1.346 0.775 6.765 467 2HB GLU 61 1HB GLU 61 2.655 1.915 7.081 468 1HG GLU 61 2HG GLU 61 1.338 3.640 5.775 469 2HG GLU 61 1HG GLU 61 -0.008 2.499 5.766 470 H ASP 62 H ASP 62 4.529 2.095 6.296 471 HA ASP 62 HA ASP 62 4.996 4.622 5.032 472 1HB ASP 62 2HB ASP 62 6.355 2.907 7.005 473 2HB ASP 62 1HB ASP 62 7.445 3.907 6.045 474 H THR 63 H THR 63 6.273 1.372 4.458 475 HA THR 63 HA THR 63 8.328 2.060 2.633 476 HB THR 63 HB THR 63 7.399 -0.356 1.689 477 HG1 THR 63 HG1 THR 63 7.042 -1.171 4.091 478 1HG2 THR 63 1HG2 THR 63 9.051 -0.027 4.202 479 2HG2 THR 63 2HG2 THR 63 9.676 0.329 2.592 480 3HG2 THR 63 3HG2 THR 63 9.166 -1.309 2.997 481 H LEU 64 H LEU 64 4.881 1.323 2.028 482 HA LEU 64 HA LEU 64 5.060 1.650 -0.826 483 1HB LEU 64 2HB LEU 64 3.041 1.012 1.066 484 2HB LEU 64 1HB LEU 64 2.464 2.407 0.155 485 HG LEU 64 HG LEU 64 3.479 -0.198 -1.015 486 1HD1 LEU 64 1HD1 LEU 64 1.044 -0.081 -1.949 487 2HD1 LEU 64 2HD1 LEU 64 0.766 1.047 -0.622 488 3HD1 LEU 64 3HD1 LEU 64 1.286 -0.604 -0.282 489 1HD2 LEU 64 1HD2 LEU 64 2.484 1.001 -3.134 490 2HD2 LEU 64 2HD2 LEU 64 4.117 1.403 -2.600 491 3HD2 LEU 64 3HD2 LEU 64 2.771 2.472 -2.206 492 H MET 65 H MET 65 4.493 3.876 1.849 493 HA MET 65 HA MET 65 3.569 6.130 0.438 494 1HB MET 65 2HB MET 65 3.772 5.985 2.918 495 2HB MET 65 1HB MET 65 5.526 6.108 2.757 496 1HG MET 65 2HG MET 65 4.022 8.198 1.321 497 2HG MET 65 1HG MET 65 3.848 8.253 3.076 498 1HE MET 65 1HE MET 65 5.130 10.218 3.906 499 2HE MET 65 2HE MET 65 6.804 9.874 4.335 500 3HE MET 65 3HE MET 65 5.543 8.707 4.726 501 H GLU 66 H GLU 66 6.877 4.910 0.840 502 HA GLU 66 HA GLU 66 8.124 7.156 -0.473 503 1HB GLU 66 2HB GLU 66 9.271 5.519 1.085 504 2HB GLU 66 1HB GLU 66 9.221 4.346 -0.233 505 1HG GLU 66 2HG GLU 66 11.246 5.256 -0.766 506 2HG GLU 66 1HG GLU 66 10.254 6.496 -1.537 507 H TYR 67 H TYR 67 7.716 3.771 -1.596 508 HA TYR 67 HA TYR 67 8.468 4.224 -4.274 509 1HB TYR 67 2HB TYR 67 8.117 1.969 -3.345 510 2HB TYR 67 1HB TYR 67 6.383 2.276 -3.245 511 HD1 TYR 67 HD1 TYR 67 5.174 1.221 -4.925 512 HD2 TYR 67 HD2 TYR 67 9.052 2.824 -5.841 513 HE1 TYR 67 HE1 TYR 67 4.906 0.514 -7.285 514 HE2 TYR 67 HE2 TYR 67 8.785 2.117 -8.204 515 HH TYR 67 HH TYR 67 6.337 1.620 -9.709 516 H LEU 68 H LEU 68 5.628 5.279 -2.626 517 HA LEU 68 HA LEU 68 4.135 5.645 -5.147 518 1HB LEU 68 2HB LEU 68 3.402 5.351 -2.420 519 2HB LEU 68 1HB LEU 68 2.898 6.968 -2.912 520 HG LEU 68 HG LEU 68 1.767 5.993 -4.895 521 1HD1 LEU 68 1HD1 LEU 68 1.600 3.269 -4.085 522 2HD1 LEU 68 2HD1 LEU 68 3.311 3.696 -4.115 523 3HD1 LEU 68 3HD1 LEU 68 2.322 3.913 -5.560 524 1HD2 LEU 68 1HD2 LEU 68 0.906 5.998 -2.276 525 2HD2 LEU 68 2HD2 LEU 68 0.607 4.328 -2.762 526 3HD2 LEU 68 3HD2 LEU 68 -0.118 5.654 -3.672 527 H GLU 69 H GLU 69 5.988 7.513 -2.823 528 HA GLU 69 HA GLU 69 5.206 10.125 -3.655 529 1HB GLU 69 2HB GLU 69 6.783 9.368 -1.711 530 2HB GLU 69 1HB GLU 69 8.047 9.431 -2.932 531 1HG GLU 69 2HG GLU 69 8.138 11.604 -2.097 532 2HG GLU 69 1HG GLU 69 7.032 11.803 -3.455 533 H ASN 70 H ASN 70 7.216 7.668 -5.005 534 HA ASN 70 HA ASN 70 7.215 8.787 -7.634 535 1HB ASN 70 2HB ASN 70 9.938 8.991 -7.413 536 2HB ASN 70 1HB ASN 70 8.834 10.364 -7.359 537 1HD2 ASN 70 1HD2 ASN 70 9.467 7.840 -4.866 538 2HD2 ASN 70 2HD2 ASN 70 9.943 8.938 -3.662 539 HA PRO 71 HA PRO 71 8.254 4.388 -7.479 540 1HB PRO 71 2HB PRO 71 6.903 3.798 -9.807 541 2HB PRO 71 1HB PRO 71 6.128 3.873 -8.215 542 1HG PRO 71 2HG PRO 71 6.006 5.837 -10.458 543 2HG PRO 71 1HG PRO 71 4.824 5.524 -9.176 544 1HD PRO 71 2HD PRO 71 6.631 7.692 -9.252 545 2HD PRO 71 1HD PRO 71 5.713 7.154 -7.829 546 H LYS 72 H LYS 72 8.349 6.493 -10.356 547 HA LYS 72 HA LYS 72 10.283 4.899 -11.770 548 1HB LYS 72 2HB LYS 72 8.656 6.742 -12.660 549 2HB LYS 72 1HB LYS 72 9.948 7.855 -12.206 550 1HG LYS 72 2HG LYS 72 10.334 7.268 -14.501 551 2HG LYS 72 1HG LYS 72 11.530 6.387 -13.549 552 1HD LYS 72 2HD LYS 72 10.108 4.378 -13.601 553 2HD LYS 72 1HD LYS 72 8.893 5.254 -14.533 554 1HE LYS 72 2HE LYS 72 11.665 5.284 -15.609 555 2HE LYS 72 1HE LYS 72 10.801 3.750 -15.699 556 1HZ LYS 72 1HZ LYS 72 10.467 5.201 -17.655 557 2HZ LYS 72 2HZ LYS 72 9.704 6.337 -16.650 558 3HZ LYS 72 3HZ LYS 72 9.022 4.796 -16.866 559 H LYS 73 H LYS 73 10.544 6.966 -9.079 560 HA LYS 73 HA LYS 73 13.414 7.503 -9.656 561 1HB LYS 73 2HB LYS 73 13.127 9.472 -8.587 562 2HB LYS 73 1HB LYS 73 11.404 9.120 -8.563 563 1HG LYS 73 2HG LYS 73 11.866 9.524 -6.302 564 2HG LYS 73 1HG LYS 73 11.972 7.766 -6.390 565 1HD LYS 73 2HD LYS 73 14.459 8.034 -6.789 566 2HD LYS 73 1HD LYS 73 14.264 9.746 -6.416 567 1HE LYS 73 2HE LYS 73 12.970 8.094 -4.410 568 2HE LYS 73 1HE LYS 73 14.675 7.671 -4.575 569 1HZ LYS 73 1HZ LYS 73 15.297 9.586 -3.666 570 2HZ LYS 73 2HZ LYS 73 13.681 9.787 -3.180 571 3HZ LYS 73 3HZ LYS 73 14.232 10.497 -4.622 572 H TYR 74 H TYR 74 11.260 5.891 -7.361 573 HA TYR 74 HA TYR 74 13.439 5.072 -5.602 574 1HB TYR 74 2HB TYR 74 11.073 5.317 -4.823 575 2HB TYR 74 1HB TYR 74 10.629 3.948 -5.840 576 HD1 TYR 74 HD1 TYR 74 13.775 4.378 -3.888 577 HD2 TYR 74 HD2 TYR 74 10.022 2.315 -4.226 578 HE1 TYR 74 HE1 TYR 74 14.470 2.817 -2.089 579 HE2 TYR 74 HE2 TYR 74 10.717 0.755 -2.427 580 HH TYR 74 HH TYR 74 13.195 1.335 -0.351 581 H ILE 75 H ILE 75 11.174 3.043 -7.500 582 HA ILE 75 HA ILE 75 13.336 1.074 -7.846 583 HB ILE 75 HB ILE 75 10.527 0.765 -8.857 584 1HG1 ILE 75 2HG1 ILE 75 10.407 1.665 -6.517 585 2HG1 ILE 75 1HG1 ILE 75 9.811 0.012 -6.652 586 1HG2 ILE 75 1HG2 ILE 75 11.915 -1.368 -7.397 587 2HG2 ILE 75 2HG2 ILE 75 12.759 -0.817 -8.843 588 3HG2 ILE 75 3HG2 ILE 75 11.102 -1.410 -8.960 589 1HD1 ILE 75 1HD1 ILE 75 11.246 0.085 -4.720 590 2HD1 ILE 75 2HD1 ILE 75 12.516 0.906 -5.628 591 3HD1 ILE 75 3HD1 ILE 75 12.123 -0.775 -5.985 592 HA PRO 76 HA PRO 76 13.744 2.948 -11.928 593 1HB PRO 76 2HB PRO 76 16.181 1.785 -12.447 594 2HB PRO 76 1HB PRO 76 15.986 3.264 -11.489 595 1HG PRO 76 2HG PRO 76 16.607 0.498 -10.566 596 2HG PRO 76 1HG PRO 76 17.010 2.049 -9.811 597 1HD PRO 76 2HD PRO 76 14.910 0.319 -9.026 598 2HD PRO 76 1HD PRO 76 15.119 2.008 -8.514 599 H GLY 77 H GLY 77 11.886 1.219 -12.272 600 1HA GLY 77 2HA GLY 77 12.565 -0.380 -14.538 601 2HA GLY 77 1HA GLY 77 12.456 -1.422 -13.120 602 H THR 78 H THR 78 10.345 0.028 -11.781 603 HA THR 78 HA THR 78 8.056 -1.228 -12.711 604 HB THR 78 HB THR 78 8.261 0.161 -10.592 605 HG1 THR 78 HG1 THR 78 6.256 -0.550 -11.040 606 1HG2 THR 78 1HG2 THR 78 7.133 2.557 -11.656 607 2HG2 THR 78 2HG2 THR 78 8.620 2.218 -12.542 608 3HG2 THR 78 3HG2 THR 78 8.656 2.365 -10.785 609 H LYS 79 H LYS 79 6.195 -0.431 -13.925 610 HA LYS 79 HA LYS 79 7.050 1.349 -16.165 611 1HB LYS 79 2HB LYS 79 4.841 -0.732 -16.065 612 2HB LYS 79 1HB LYS 79 5.262 0.246 -17.471 613 1HG LYS 79 2HG LYS 79 7.508 -0.732 -17.513 614 2HG LYS 79 1HG LYS 79 7.145 -1.668 -16.063 615 1HD LYS 79 2HD LYS 79 6.278 -3.296 -17.346 616 2HD LYS 79 1HD LYS 79 5.054 -2.164 -17.928 617 1HE LYS 79 2HE LYS 79 6.154 -2.879 -19.896 618 2HE LYS 79 1HE LYS 79 6.885 -1.314 -19.542 619 1HZ LYS 79 1HZ LYS 79 8.826 -2.265 -18.862 620 2HZ LYS 79 2HZ LYS 79 8.353 -3.404 -20.031 621 3HZ LYS 79 3HZ LYS 79 8.094 -3.717 -18.381 622 H MET 80 H MET 80 5.268 1.396 -13.345 623 HA MET 80 HA MET 80 3.088 3.053 -14.444 624 1HB MET 80 2HB MET 80 2.103 2.978 -12.265 625 2HB MET 80 1HB MET 80 2.763 1.380 -12.563 626 1HG MET 80 2HG MET 80 4.660 1.795 -11.192 627 2HG MET 80 1HG MET 80 4.260 3.493 -11.043 628 1HE MET 80 1HE MET 80 2.979 3.936 -8.069 629 2HE MET 80 2HE MET 80 1.556 4.088 -9.096 630 3HE MET 80 3HE MET 80 3.141 4.520 -9.731 631 H ILE 81 H ILE 81 3.308 5.176 -14.694 632 HA ILE 81 HA ILE 81 5.545 6.572 -13.319 633 HB ILE 81 HB ILE 81 3.769 7.545 -15.583 634 1HG1 ILE 81 2HG1 ILE 81 6.243 7.146 -16.663 635 2HG1 ILE 81 1HG1 ILE 81 6.173 5.817 -15.506 636 1HG2 ILE 81 1HG2 ILE 81 4.755 9.525 -15.153 637 2HG2 ILE 81 2HG2 ILE 81 6.300 8.791 -15.581 638 3HG2 ILE 81 3HG2 ILE 81 5.763 8.800 -13.901 639 1HD1 ILE 81 1HD1 ILE 81 4.762 6.128 -18.029 640 2HD1 ILE 81 2HD1 ILE 81 3.640 5.846 -16.698 641 3HD1 ILE 81 3HD1 ILE 81 4.936 4.693 -17.019 642 H PHE 82 H PHE 82 3.453 5.887 -11.697 643 HA PHE 82 HA PHE 82 1.317 7.730 -11.461 644 1HB PHE 82 2HB PHE 82 1.577 5.550 -10.254 645 2HB PHE 82 1HB PHE 82 2.773 6.316 -9.213 646 HD1 PHE 82 HD1 PHE 82 2.115 8.135 -7.670 647 HD2 PHE 82 HD2 PHE 82 -0.770 6.016 -10.046 648 HE1 PHE 82 HE1 PHE 82 0.292 8.989 -6.222 649 HE2 PHE 82 HE2 PHE 82 -2.591 6.874 -8.599 650 HZ PHE 82 HZ PHE 82 -2.054 8.351 -6.688 651 H VAL 83 H VAL 83 1.099 9.638 -10.235 652 HA VAL 83 HA VAL 83 3.606 11.147 -9.885 653 HB VAL 83 HB VAL 83 1.604 12.175 -10.973 654 1HG1 VAL 83 1HG1 VAL 83 -0.428 12.349 -9.925 655 2HG1 VAL 83 2HG1 VAL 83 0.296 12.526 -8.327 656 3HG1 VAL 83 3HG1 VAL 83 0.158 10.928 -9.060 657 1HG2 VAL 83 1HG2 VAL 83 1.559 14.119 -9.051 658 2HG2 VAL 83 2HG2 VAL 83 2.853 13.937 -10.236 659 3HG2 VAL 83 3HG2 VAL 83 3.035 13.255 -8.619 660 H GLY 84 H GLY 84 4.393 11.853 -7.895 661 1HA GLY 84 2HA GLY 84 3.641 10.328 -5.559 662 2HA GLY 84 1HA GLY 84 4.779 11.675 -5.582 663 H ILE 85 H ILE 85 1.885 10.739 -4.306 664 HA ILE 85 HA ILE 85 0.228 13.041 -4.617 665 HB ILE 85 HB ILE 85 0.410 11.245 -2.181 666 1HG1 ILE 85 2HG1 ILE 85 -1.729 10.526 -3.915 667 2HG1 ILE 85 1HG1 ILE 85 -0.272 10.625 -4.904 668 1HG2 ILE 85 1HG2 ILE 85 -1.497 12.247 -1.477 669 2HG2 ILE 85 2HG2 ILE 85 -2.196 12.240 -3.096 670 3HG2 ILE 85 3HG2 ILE 85 -1.090 13.528 -2.619 671 1HD1 ILE 85 1HD1 ILE 85 0.557 8.735 -4.001 672 2HD1 ILE 85 2HD1 ILE 85 -1.012 8.500 -3.231 673 3HD1 ILE 85 3HD1 ILE 85 0.280 9.330 -2.363 674 H LYS 86 H LYS 86 0.442 15.067 -3.784 675 HA LYS 86 HA LYS 86 2.687 15.576 -1.922 676 1HB LYS 86 2HB LYS 86 1.168 17.135 -3.905 677 2HB LYS 86 1HB LYS 86 1.507 18.018 -2.416 678 1HG LYS 86 2HG LYS 86 3.712 16.435 -3.686 679 2HG LYS 86 1HG LYS 86 3.277 17.996 -4.382 680 1HD LYS 86 2HD LYS 86 4.836 18.689 -2.819 681 2HD LYS 86 1HD LYS 86 3.375 18.759 -1.833 682 1HE LYS 86 2HE LYS 86 3.978 16.952 -0.571 683 2HE LYS 86 1HE LYS 86 4.723 16.121 -1.937 684 1HZ LYS 86 1HZ LYS 86 6.600 17.630 -1.789 685 2HZ LYS 86 2HZ LYS 86 6.373 16.813 -0.316 686 3HZ LYS 86 3HZ LYS 86 5.884 18.432 -0.478 687 H LYS 87 H LYS 87 0.391 14.175 -0.885 688 HA LYS 87 HA LYS 87 -0.369 16.108 1.235 689 1HB LYS 87 2HB LYS 87 -2.137 15.361 -0.825 690 2HB LYS 87 1HB LYS 87 -2.622 14.409 0.578 691 1HG LYS 87 2HG LYS 87 -2.997 16.330 1.902 692 2HG LYS 87 1HG LYS 87 -2.067 17.363 0.815 693 1HD LYS 87 2HD LYS 87 -4.342 16.001 -0.471 694 2HD LYS 87 1HD LYS 87 -4.803 17.150 0.787 695 1HE LYS 87 2HE LYS 87 -2.701 18.291 -0.814 696 2HE LYS 87 1HE LYS 87 -4.000 17.733 -1.870 697 1HZ LYS 87 1HZ LYS 87 -5.318 19.357 -1.175 698 2HZ LYS 87 2HZ LYS 87 -3.968 20.047 -0.407 699 3HZ LYS 87 3HZ LYS 87 -5.011 19.023 0.460 700 H LYS 88 H LYS 88 0.299 15.116 3.075 701 HA LYS 88 HA LYS 88 0.850 12.307 3.261 702 1HB LYS 88 2HB LYS 88 1.962 13.879 4.747 703 2HB LYS 88 1HB LYS 88 0.416 14.393 5.418 704 1HG LYS 88 2HG LYS 88 1.152 12.855 7.020 705 2HG LYS 88 1HG LYS 88 0.120 11.855 5.998 706 1HD LYS 88 2HD LYS 88 1.980 10.507 5.995 707 2HD LYS 88 1HD LYS 88 2.439 11.567 4.662 708 1HE LYS 88 2HE LYS 88 4.138 12.482 5.842 709 2HE LYS 88 1HE LYS 88 3.132 12.684 7.276 710 1HZ LYS 88 1HZ LYS 88 4.097 10.925 8.173 711 2HZ LYS 88 2HZ LYS 88 5.094 10.756 6.808 712 3HZ LYS 88 3HZ LYS 88 3.601 9.947 6.878 713 H GLU 89 H GLU 89 -2.034 14.207 3.789 714 HA GLU 89 HA GLU 89 -3.432 12.205 5.335 715 1HB GLU 89 2HB GLU 89 -4.523 14.510 3.697 716 2HB GLU 89 1HB GLU 89 -5.425 13.583 4.896 717 1HG GLU 89 2HG GLU 89 -4.510 14.727 6.619 718 2HG GLU 89 1HG GLU 89 -2.887 14.603 5.940 719 H GLU 90 H GLU 90 -3.426 13.137 1.891 720 HA GLU 90 HA GLU 90 -5.441 11.324 1.031 721 1HB GLU 90 2HB GLU 90 -3.802 13.180 -0.198 722 2HB GLU 90 1HB GLU 90 -3.223 11.653 -0.865 723 1HG GLU 90 2HG GLU 90 -5.320 11.114 -1.781 724 2HG GLU 90 1HG GLU 90 -6.174 12.235 -0.720 725 H ARG 91 H ARG 91 -1.949 10.872 1.502 726 HA ARG 91 HA ARG 91 -1.838 8.218 0.410 727 1HB ARG 91 2HB ARG 91 -0.040 10.034 1.699 728 2HB ARG 91 1HB ARG 91 0.063 8.480 2.526 729 1HG ARG 91 2HG ARG 91 1.052 7.475 0.753 730 2HG ARG 91 1HG ARG 91 -0.052 8.231 -0.397 731 1HD ARG 91 2HD ARG 91 2.399 8.926 -0.592 732 2HD ARG 91 1HD ARG 91 1.234 10.244 -0.458 733 HE ARG 91 HE ARG 91 1.992 9.701 2.169 734 1HH1 ARG 91 1HH2 ARG 91 4.319 9.315 -0.129 735 2HH1 ARG 91 2HH2 ARG 91 5.288 10.673 0.333 736 1HH2 ARG 91 1HH1 ARG 91 2.905 11.993 2.472 737 2HH2 ARG 91 2HH1 ARG 91 4.487 12.191 1.796 738 H ALA 92 H ALA 92 -2.221 9.408 3.759 739 HA ALA 92 HA ALA 92 -2.368 6.906 5.055 740 1HB ALA 92 1HB ALA 92 -3.287 9.659 5.623 741 2HB ALA 92 2HB ALA 92 -2.433 8.520 6.665 742 3HB ALA 92 3HB ALA 92 -4.181 8.391 6.462 743 H ASP 93 H ASP 93 -4.839 8.709 3.284 744 HA ASP 93 HA ASP 93 -7.011 6.951 3.988 745 1HB ASP 93 2HB ASP 93 -6.576 9.226 2.165 746 2HB ASP 93 1HB ASP 93 -7.756 8.050 1.586 747 H LEU 94 H LEU 94 -4.554 6.960 1.480 748 HA LEU 94 HA LEU 94 -5.769 5.030 -0.260 749 1HB LEU 94 2HB LEU 94 -2.914 5.887 0.229 750 2HB LEU 94 1HB LEU 94 -3.308 4.610 -0.922 751 HG LEU 94 HG LEU 94 -4.529 7.382 -0.987 752 1HD1 LEU 94 1HD1 LEU 94 -1.931 6.929 -1.508 753 2HD1 LEU 94 2HD1 LEU 94 -2.892 8.070 -2.452 754 3HD1 LEU 94 3HD1 LEU 94 -2.606 6.439 -3.063 755 1HD2 LEU 94 1HD2 LEU 94 -5.997 5.914 -2.102 756 2HD2 LEU 94 2HD2 LEU 94 -4.679 4.922 -2.722 757 3HD2 LEU 94 3HD2 LEU 94 -4.975 6.519 -3.407 758 H ILE 95 H ILE 95 -3.151 4.603 2.138 759 HA ILE 95 HA ILE 95 -3.255 1.732 2.068 760 HB ILE 95 HB ILE 95 -2.361 3.327 4.465 761 1HG1 ILE 95 2HG1 ILE 95 -1.354 4.592 2.741 762 2HG1 ILE 95 1HG1 ILE 95 -0.112 3.417 3.175 763 1HG2 ILE 95 1HG2 ILE 95 -1.917 0.644 3.310 764 2HG2 ILE 95 2HG2 ILE 95 -1.808 1.181 4.986 765 3HG2 ILE 95 3HG2 ILE 95 -0.456 1.446 3.885 766 1HD1 ILE 95 1HD1 ILE 95 -0.112 3.195 0.863 767 2HD1 ILE 95 2HD1 ILE 95 -1.837 3.538 0.727 768 3HD1 ILE 95 3HD1 ILE 95 -1.293 1.961 1.304 769 H ALA 96 H ALA 96 -5.000 4.170 3.850 770 HA ALA 96 HA ALA 96 -6.045 2.566 5.948 771 1HB ALA 96 1HB ALA 96 -7.214 4.976 4.535 772 2HB ALA 96 2HB ALA 96 -6.278 4.973 6.029 773 3HB ALA 96 3HB ALA 96 -7.895 4.271 6.001 774 H TYR 97 H TYR 97 -7.242 3.133 2.636 775 HA TYR 97 HA TYR 97 -9.639 1.575 3.033 776 1HB TYR 97 2HB TYR 97 -9.715 3.162 1.256 777 2HB TYR 97 1HB TYR 97 -8.196 2.581 0.574 778 HD1 TYR 97 HD1 TYR 97 -8.378 1.268 -1.341 779 HD2 TYR 97 HD2 TYR 97 -11.510 1.128 1.595 780 HE1 TYR 97 HE1 TYR 97 -9.612 -0.369 -2.734 781 HE2 TYR 97 HE2 TYR 97 -12.750 -0.502 0.196 782 HH TYR 97 HH TYR 97 -12.660 -1.815 -1.607 783 H LEU 98 H LEU 98 -6.585 0.939 1.291 784 HA LEU 98 HA LEU 98 -7.178 -1.761 0.652 785 1HB LEU 98 2HB LEU 98 -4.790 -0.038 0.691 786 2HB LEU 98 1HB LEU 98 -4.443 -1.749 0.926 787 HG LEU 98 HG LEU 98 -4.399 -1.315 -1.452 788 1HD1 LEU 98 1HD1 LEU 98 -6.204 -3.115 -0.213 789 2HD1 LEU 98 2HD1 LEU 98 -5.483 -3.251 -1.816 790 3HD1 LEU 98 3HD1 LEU 98 -7.041 -2.449 -1.616 791 1HD2 LEU 98 1HD2 LEU 98 -6.538 -0.447 -2.543 792 2HD2 LEU 98 2HD2 LEU 98 -5.624 0.739 -1.610 793 3HD2 LEU 98 3HD2 LEU 98 -7.072 0.003 -0.924 794 H LYS 99 H LYS 99 -6.404 -0.334 3.689 795 HA LYS 99 HA LYS 99 -5.348 -2.802 4.834 796 1HB LYS 99 2HB LYS 99 -5.462 -0.053 5.620 797 2HB LYS 99 1HB LYS 99 -6.208 -1.028 6.886 798 1HG LYS 99 2HG LYS 99 -4.235 -1.965 7.480 799 2HG LYS 99 1HG LYS 99 -3.755 -2.221 5.803 800 1HD LYS 99 2HD LYS 99 -3.324 0.306 5.703 801 2HD LYS 99 1HD LYS 99 -3.454 0.288 7.462 802 1HE LYS 99 2HE LYS 99 -1.751 -1.867 6.755 803 2HE LYS 99 1HE LYS 99 -1.213 -0.470 5.822 804 1HZ LYS 99 1HZ LYS 99 -1.815 0.404 8.401 805 2HZ LYS 99 2HZ LYS 99 -0.294 0.338 7.646 806 3HZ LYS 99 3HZ LYS 99 -0.853 -0.984 8.555 807 H LYS 100 H LYS 100 -8.351 -0.902 5.141 808 HA LYS 100 HA LYS 100 -9.674 -2.734 6.900 809 1HB LYS 100 2HB LYS 100 -10.497 -0.455 6.581 810 2HB LYS 100 1HB LYS 100 -10.813 -0.781 4.877 811 1HG LYS 100 2HG LYS 100 -12.060 -2.585 6.911 812 2HG LYS 100 1HG LYS 100 -12.753 -0.979 6.685 813 1HD LYS 100 2HD LYS 100 -12.443 -1.734 4.095 814 2HD LYS 100 1HD LYS 100 -12.736 -3.303 4.845 815 1HE LYS 100 2HE LYS 100 -14.915 -2.829 5.216 816 2HE LYS 100 1HE LYS 100 -14.536 -1.229 5.854 817 1HZ LYS 100 1HZ LYS 100 -14.915 -2.038 3.035 818 2HZ LYS 100 2HZ LYS 100 -14.118 -0.596 3.449 819 3HZ LYS 100 3HZ LYS 100 -15.736 -0.837 3.906 820 H ALA 101 H ALA 101 -9.387 -2.584 3.385 821 HA ALA 101 HA ALA 101 -11.326 -4.704 2.955 822 1HB ALA 101 1HB ALA 101 -9.646 -2.946 1.294 823 2HB ALA 101 2HB ALA 101 -11.280 -3.543 1.004 824 3HB ALA 101 3HB ALA 101 -9.889 -4.561 0.627 825 H THR 102 H THR 102 -7.755 -4.480 2.666 826 HA THR 102 HA THR 102 -7.722 -7.464 2.908 827 HB THR 102 HB THR 102 -6.983 -6.600 0.676 828 HG1 THR 102 HG1 THR 102 -5.458 -8.097 2.425 829 1HG2 THR 102 1HG2 THR 102 -5.916 -4.578 0.935 830 2HG2 THR 102 2HG2 THR 102 -4.503 -5.633 0.930 831 3HG2 THR 102 3HG2 THR 102 -5.161 -5.049 2.458 832 H ASN 103 H ASN 103 -7.691 -5.757 5.189 833 HA ASN 103 HA ASN 103 -5.316 -6.741 6.491 834 1HB ASN 103 2HB ASN 103 -4.591 -4.605 5.168 835 2HB ASN 103 1HB ASN 103 -5.454 -3.739 6.439 836 1HD2 ASN 103 1HD2 ASN 103 -2.393 -4.544 5.698 837 2HD2 ASN 103 2HD2 ASN 103 -1.757 -4.837 7.244 838 H GLU 104 HN GLU 104 -8.115 -6.926 6.943 839 HA GLU 104 HA GLU 104 -8.196 -5.983 9.717 840 1HB GLU 104 2HB GLU 104 -9.042 -4.006 8.537 841 2HB GLU 104 1HB GLU 104 -10.220 -5.001 7.682 842 1HG GLU 104 2HG GLU 104 -10.293 -5.330 10.605 843 2HG GLU 104 1HG GLU 104 -10.700 -3.701 10.061 844 HHA HEC 105 HHA HEC 105 4.330 -2.696 -9.206 845 HHB HEC 105 HHB HEC 105 1.197 0.870 -5.039 846 HHC HEC 105 HHC HEC 105 -2.026 3.577 -9.765 847 HHD HEC 105 HHD HEC 105 1.022 -0.073 -13.923 848 1HMA HEC 105 1HMA HEC 105 3.599 -1.933 -4.151 849 2HMA HEC 105 2HMA HEC 105 2.129 -0.976 -3.977 850 3HMA HEC 105 3HMA HEC 105 3.692 -0.172 -4.119 851 1HAA HEC 105 1HAA HEC 105 4.734 -2.887 -5.473 852 2HAA HEC 105 2HAA HEC 105 5.564 -2.507 -6.968 853 1HBA HEC 105 1HBA HEC 105 5.081 -4.795 -7.178 854 2HBA HEC 105 2HBA HEC 105 3.776 -4.028 -8.074 855 1HMB HEC 105 1HMB HEC 105 -0.338 1.962 -4.199 856 2HMB HEC 105 2HMB HEC 105 -1.800 2.889 -4.536 857 3HMB HEC 105 3HMB HEC 105 -0.231 3.696 -4.507 858 HAB HEC 105 HAB HEC 105 -2.509 4.603 -8.063 859 1HBB HEC 105 1HBB HEC 105 -2.179 5.012 -5.156 860 2HBB HEC 105 2HBB HEC 105 -2.468 6.174 -6.449 861 3HBB HEC 105 3HBB HEC 105 -0.870 5.457 -6.251 862 1HMC HEC 105 1HMC HEC 105 -1.971 4.472 -12.803 863 2HMC HEC 105 2HMC HEC 105 -3.057 3.162 -13.268 864 3HMC HEC 105 3HMC HEC 105 -3.020 3.725 -11.597 865 HAC HEC 105 HAC HEC 105 -0.046 1.402 -15.019 866 1HBC HEC 105 1HBC HEC 105 -1.036 3.814 -14.530 867 2HBC HEC 105 2HBC HEC 105 -2.473 3.032 -15.185 868 3HBC HEC 105 3HBC HEC 105 -0.985 3.077 -16.130 869 1HMD HEC 105 1HMD HEC 105 2.987 -0.962 -14.740 870 2HMD HEC 105 2HMD HEC 105 3.959 -2.390 -14.390 871 3HMD HEC 105 3HMD HEC 105 2.209 -2.535 -14.553 872 1HAD HEC 105 1HAD HEC 105 5.544 -2.832 -12.100 873 2HAD HEC 105 2HAD HEC 105 4.670 -3.811 -10.933 874 1HBD HEC 105 1HBD HEC 105 3.305 -4.063 -13.406 875 2HBD HEC 105 2HBD HEC 105 4.231 -5.294 -12.551 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 -9.287 9.798 9.292 2 2H GLY 1 2HT GLY 1 -9.234 9.768 7.594 3 3H GLY 1 3HT GLY 1 -7.839 9.415 8.497 4 1HA GLY 1 1HA GLY 1 -8.553 7.324 7.866 5 2HA GLY 1 2HA GLY 1 -9.214 7.510 9.491 6 H ASP 2 H ASP 2 -9.988 6.912 6.236 7 HA ASP 2 HA ASP 2 -12.833 6.699 6.906 8 1HB ASP 2 2HB ASP 2 -11.853 8.672 4.822 9 2HB ASP 2 1HB ASP 2 -13.532 8.156 4.987 10 H VAL 3 H VAL 3 -12.909 4.569 6.253 11 HA VAL 3 HA VAL 3 -11.568 3.668 3.817 12 HB VAL 3 HB VAL 3 -11.956 2.245 5.891 13 1HG1 VAL 3 1HG1 VAL 3 -14.116 1.304 6.276 14 2HG1 VAL 3 2HG1 VAL 3 -14.738 1.924 4.747 15 3HG1 VAL 3 3HG1 VAL 3 -14.386 3.035 6.072 16 1HG2 VAL 3 1HG2 VAL 3 -11.726 1.547 3.267 17 2HG2 VAL 3 2HG2 VAL 3 -13.254 0.766 3.673 18 3HG2 VAL 3 3HG2 VAL 3 -11.795 0.376 4.583 19 H GLU 4 H GLU 4 -14.857 4.531 4.782 20 HA GLU 4 HA GLU 4 -16.306 3.532 2.588 21 1HB GLU 4 2HB GLU 4 -17.904 5.376 3.018 22 2HB GLU 4 1HB GLU 4 -17.382 4.610 4.520 23 1HG GLU 4 2HG GLU 4 -15.732 6.395 4.878 24 2HG GLU 4 1HG GLU 4 -16.210 7.156 3.360 25 H LYS 5 H LYS 5 -14.303 6.449 2.812 26 HA LYS 5 HA LYS 5 -14.958 7.103 -0.012 27 1HB LYS 5 2HB LYS 5 -13.969 9.238 0.391 28 2HB LYS 5 1HB LYS 5 -14.906 8.870 1.839 29 1HG LYS 5 2HG LYS 5 -12.798 7.951 2.875 30 2HG LYS 5 1HG LYS 5 -11.914 8.560 1.475 31 1HD LYS 5 2HD LYS 5 -13.505 10.182 3.479 32 2HD LYS 5 1HD LYS 5 -11.764 10.235 3.206 33 1HE LYS 5 2HE LYS 5 -12.173 11.928 1.768 34 2HE LYS 5 1HE LYS 5 -12.833 10.705 0.681 35 1HZ LYS 5 1HZ LYS 5 -14.211 12.644 2.346 36 2HZ LYS 5 2HZ LYS 5 -14.905 11.095 2.293 37 3HZ LYS 5 3HZ LYS 5 -14.667 11.972 0.857 38 H GLY 6 H GLY 6 -12.595 5.486 1.841 39 1HA GLY 6 1HA GLY 6 -10.251 6.035 0.282 40 2HA GLY 6 2HA GLY 6 -10.491 4.605 1.288 41 H LYS 7 H LYS 7 -12.792 3.562 0.001 42 HA LYS 7 HA LYS 7 -11.606 2.091 -2.136 43 1HB LYS 7 2HB LYS 7 -13.645 1.450 -0.726 44 2HB LYS 7 1HB LYS 7 -14.579 2.512 -1.779 45 1HG LYS 7 2HG LYS 7 -13.636 1.204 -3.745 46 2HG LYS 7 1HG LYS 7 -13.017 0.044 -2.568 47 1HD LYS 7 2HD LYS 7 -15.886 0.826 -2.335 48 2HD LYS 7 1HD LYS 7 -15.441 -0.232 -3.675 49 1HE LYS 7 2HE LYS 7 -14.146 -1.577 -1.839 50 2HE LYS 7 1HE LYS 7 -15.213 -0.730 -0.719 51 1HZ LYS 7 1HZ LYS 7 -16.314 -2.086 -3.091 52 2HZ LYS 7 2HZ LYS 7 -17.082 -1.703 -1.625 53 3HZ LYS 7 3HZ LYS 7 -15.958 -2.975 -1.692 54 H LYS 8 H LYS 8 -13.178 5.190 -2.071 55 HA LYS 8 HA LYS 8 -13.791 5.230 -4.926 56 1HB LYS 8 2HB LYS 8 -14.071 7.068 -2.624 57 2HB LYS 8 1HB LYS 8 -13.786 7.856 -4.177 58 1HG LYS 8 2HG LYS 8 -15.650 6.496 -5.151 59 2HG LYS 8 1HG LYS 8 -15.983 5.869 -3.537 60 1HD LYS 8 2HD LYS 8 -16.929 7.821 -2.830 61 2HD LYS 8 1HD LYS 8 -15.786 8.817 -3.732 62 1HE LYS 8 2HE LYS 8 -17.399 9.163 -5.265 63 2HE LYS 8 1HE LYS 8 -17.300 7.451 -5.678 64 1HZ LYS 8 1HZ LYS 8 -19.122 8.778 -3.768 65 2HZ LYS 8 2HZ LYS 8 -18.826 7.107 -3.693 66 3HZ LYS 8 3HZ LYS 8 -19.514 7.789 -5.088 67 H ILE 9 H ILE 9 -11.228 6.494 -2.814 68 HA ILE 9 HA ILE 9 -9.816 7.945 -4.834 69 HB ILE 9 HB ILE 9 -8.777 6.565 -2.338 70 1HG1 ILE 9 2HG1 ILE 9 -9.619 9.422 -2.921 71 2HG1 ILE 9 1HG1 ILE 9 -10.447 8.285 -1.858 72 1HG2 ILE 9 1HG2 ILE 9 -7.514 8.598 -4.199 73 2HG2 ILE 9 2HG2 ILE 9 -6.937 6.965 -3.868 74 3HG2 ILE 9 3HG2 ILE 9 -6.877 8.195 -2.605 75 1HD1 ILE 9 1HD1 ILE 9 -7.553 8.831 -1.341 76 2HD1 ILE 9 2HD1 ILE 9 -8.841 8.446 -0.201 77 3HD1 ILE 9 3HD1 ILE 9 -8.724 10.067 -0.884 78 H PHE 10 H PHE 10 -9.342 4.618 -3.593 79 HA PHE 10 HA PHE 10 -7.289 3.920 -5.462 80 1HB PHE 10 2HB PHE 10 -7.968 2.633 -3.367 81 2HB PHE 10 1HB PHE 10 -9.332 2.013 -4.295 82 HD1 PHE 10 HD1 PHE 10 -8.935 0.635 -6.339 83 HD2 PHE 10 HD2 PHE 10 -5.734 1.837 -3.740 84 HE1 PHE 10 HE1 PHE 10 -7.466 -1.089 -7.351 85 HE2 PHE 10 HE2 PHE 10 -4.265 0.114 -4.752 86 HZ PHE 10 HZ PHE 10 -5.132 -1.350 -6.558 87 H ILE 11 H ILE 11 -10.823 3.709 -5.578 88 HA ILE 11 HA ILE 11 -11.035 2.289 -8.042 89 HB ILE 11 HB ILE 11 -12.839 4.225 -6.595 90 1HG1 ILE 11 2HG1 ILE 11 -12.422 1.800 -5.859 91 2HG1 ILE 11 1HG1 ILE 11 -14.107 2.266 -6.091 92 1HG2 ILE 11 1HG2 ILE 11 -14.581 3.787 -8.249 93 2HG2 ILE 11 2HG2 ILE 11 -13.483 2.763 -9.175 94 3HG2 ILE 11 3HG2 ILE 11 -13.181 4.497 -9.054 95 1HD1 ILE 11 1HD1 ILE 11 -14.371 0.874 -7.868 96 2HD1 ILE 11 2HD1 ILE 11 -12.938 0.064 -7.234 97 3HD1 ILE 11 3HD1 ILE 11 -12.780 1.257 -8.524 98 H MET 12 H MET 12 -10.145 5.557 -7.307 99 HA MET 12 HA MET 12 -10.202 6.178 -10.235 100 1HB MET 12 2HB MET 12 -11.580 7.522 -8.295 101 2HB MET 12 1HB MET 12 -10.082 8.451 -8.357 102 1HG MET 12 2HG MET 12 -10.419 9.118 -10.546 103 2HG MET 12 1HG MET 12 -11.367 7.686 -10.946 104 1HE MET 12 1HE MET 12 -13.228 11.387 -11.068 105 2HE MET 12 2HE MET 12 -12.041 10.417 -11.936 106 3HE MET 12 3HE MET 12 -11.543 11.356 -10.531 107 H LYS 13 H LYS 13 -8.053 5.153 -8.107 108 HA LYS 13 HA LYS 13 -5.963 7.059 -9.083 109 1HB LYS 13 2HB LYS 13 -6.645 6.967 -6.489 110 2HB LYS 13 1HB LYS 13 -5.492 5.631 -6.510 111 1HG LYS 13 2HG LYS 13 -3.912 7.239 -6.272 112 2HG LYS 13 1HG LYS 13 -4.178 7.540 -7.989 113 1HD LYS 13 2HD LYS 13 -5.426 9.441 -7.606 114 2HD LYS 13 1HD LYS 13 -6.035 8.855 -6.057 115 1HE LYS 13 2HE LYS 13 -3.727 9.159 -5.109 116 2HE LYS 13 1HE LYS 13 -3.254 9.915 -6.630 117 1HZ LYS 13 1HZ LYS 13 -4.982 11.569 -6.306 118 2HZ LYS 13 2HZ LYS 13 -3.904 11.563 -4.992 119 3HZ LYS 13 3HZ LYS 13 -5.435 10.843 -4.843 120 H CYS 14 H CYS 14 -6.291 3.772 -7.635 121 HA CYS 14 HA CYS 14 -4.349 2.872 -9.722 122 1HB CYS 14 2HB CYS 14 -4.158 1.279 -7.293 123 2HB CYS 14 1HB CYS 14 -2.878 2.073 -8.200 124 H SER 15 H SER 15 -7.385 2.668 -9.336 125 HA SER 15 HA SER 15 -7.754 -0.238 -8.992 126 1HB SER 15 2HB SER 15 -9.494 1.252 -8.143 127 2HB SER 15 1HB SER 15 -9.701 1.963 -9.742 128 HG SER 15 HG SER 15 -10.670 -0.371 -8.712 129 H GLN 16 H GLN 16 -6.455 1.461 -11.397 130 HA GLN 16 HA GLN 16 -7.907 0.092 -13.596 131 1HB GLN 16 2HB GLN 16 -5.693 2.159 -13.758 132 2HB GLN 16 1HB GLN 16 -6.720 1.603 -15.074 133 1HG GLN 16 2HG GLN 16 -8.623 2.694 -14.229 134 2HG GLN 16 1HG GLN 16 -7.938 2.820 -12.607 135 1HE2 GLN 16 1HE2 GLN 16 -8.071 4.341 -15.766 136 2HE2 GLN 16 2HE2 GLN 16 -7.132 5.697 -15.365 137 H CYS 17 H CYS 17 -4.556 0.713 -12.513 138 HA CYS 17 HA CYS 17 -3.579 -1.575 -14.073 139 1HB CYS 17 2HB CYS 17 -2.314 0.515 -12.312 140 2HB CYS 17 1HB CYS 17 -1.411 -0.941 -12.723 141 H HIS 18 H HIS 18 -4.550 -0.851 -10.783 142 HA HIS 18 HA HIS 18 -3.733 -3.620 -9.983 143 1HB HIS 18 2HB HIS 18 -4.212 -1.184 -8.244 144 2HB HIS 18 1HB HIS 18 -3.832 -2.797 -7.643 145 HD1 HIS 18 HD1 HIS 18 -1.400 -3.525 -7.698 146 HD2 HIS 18 HD2 HIS 18 -2.061 0.055 -9.708 147 HE1 HIS 18 HE1 HIS 18 0.884 -2.570 -8.231 148 H THR 19 H THR 19 -5.716 -4.557 -10.768 149 HA THR 19 HA THR 19 -8.278 -3.547 -9.783 150 HB THR 19 HB THR 19 -9.257 -5.417 -10.949 151 HG1 THR 19 HG1 THR 19 -6.703 -6.459 -10.582 152 1HG2 THR 19 1HG2 THR 19 -8.738 -4.652 -13.014 153 2HG2 THR 19 2HG2 THR 19 -7.039 -5.092 -12.839 154 3HG2 THR 19 3HG2 THR 19 -7.626 -3.565 -12.183 155 H VAL 20 H VAL 20 -7.782 -3.594 -7.474 156 HA VAL 20 HA VAL 20 -7.223 -6.176 -6.205 157 HB VAL 20 HB VAL 20 -7.039 -4.949 -4.183 158 1HG1 VAL 20 1HG1 VAL 20 -5.308 -4.385 -5.883 159 2HG1 VAL 20 2HG1 VAL 20 -5.614 -3.052 -4.770 160 3HG1 VAL 20 3HG1 VAL 20 -6.294 -3.016 -6.397 161 1HG2 VAL 20 1HG2 VAL 20 -7.860 -2.376 -4.470 162 2HG2 VAL 20 2HG2 VAL 20 -8.892 -3.649 -3.815 163 3HG2 VAL 20 3HG2 VAL 20 -9.028 -3.189 -5.512 164 H GLU 21 H GLU 21 -9.775 -5.880 -7.724 165 HA GLU 21 HA GLU 21 -11.540 -6.917 -5.616 166 1HB GLU 21 2HB GLU 21 -13.403 -5.347 -6.415 167 2HB GLU 21 1HB GLU 21 -12.149 -4.621 -5.408 168 1HG GLU 21 2HG GLU 21 -11.359 -3.328 -7.105 169 2HG GLU 21 1HG GLU 21 -11.552 -4.612 -8.299 170 H LYS 22 H LYS 22 -10.197 -7.601 -8.313 171 HA LYS 22 HA LYS 22 -12.614 -8.274 -9.906 172 1HB LYS 22 2HB LYS 22 -10.494 -7.258 -10.937 173 2HB LYS 22 1HB LYS 22 -9.733 -8.823 -10.647 174 1HG LYS 22 2HG LYS 22 -10.538 -9.231 -12.762 175 2HG LYS 22 1HG LYS 22 -11.977 -9.680 -11.847 176 1HD LYS 22 2HD LYS 22 -13.016 -7.573 -12.250 177 2HD LYS 22 1HD LYS 22 -11.509 -6.859 -12.826 178 1HE LYS 22 2HE LYS 22 -12.894 -7.367 -14.752 179 2HE LYS 22 1HE LYS 22 -11.536 -8.490 -14.734 180 1HZ LYS 22 1HZ LYS 22 -13.127 -10.030 -14.918 181 2HZ LYS 22 2HZ LYS 22 -14.355 -8.995 -14.363 182 3HZ LYS 22 3HZ LYS 22 -13.347 -9.794 -13.253 183 H GLY 23 H GLY 23 -9.618 -9.978 -8.914 184 1HA GLY 23 2HA GLY 23 -10.541 -12.081 -7.470 185 2HA GLY 23 1HA GLY 23 -11.027 -12.555 -9.100 186 H GLY 24 H GLY 24 -8.114 -11.189 -7.509 187 1HA GLY 24 1HA GLY 24 -5.859 -11.804 -7.727 188 2HA GLY 24 2HA GLY 24 -6.439 -13.408 -8.178 189 H LYS 25 H LYS 25 -7.677 -10.848 -10.088 190 HA LYS 25 HA LYS 25 -6.061 -11.794 -12.378 191 1HB LYS 25 2HB LYS 25 -8.505 -11.581 -12.658 192 2HB LYS 25 1HB LYS 25 -8.399 -9.863 -12.270 193 1HG LYS 25 2HG LYS 25 -8.215 -9.614 -14.529 194 2HG LYS 25 1HG LYS 25 -6.530 -10.053 -14.247 195 1HD LYS 25 2HD LYS 25 -8.550 -12.238 -14.611 196 2HD LYS 25 1HD LYS 25 -7.964 -11.374 -16.032 197 1HE LYS 25 2HE LYS 25 -5.642 -11.870 -14.602 198 2HE LYS 25 1HE LYS 25 -6.587 -13.339 -14.353 199 1HZ LYS 25 1HZ LYS 25 -5.215 -13.440 -16.360 200 2HZ LYS 25 2HZ LYS 25 -6.037 -12.093 -16.993 201 3HZ LYS 25 3HZ LYS 25 -6.868 -13.550 -16.722 202 H HIS 26 H HIS 26 -4.683 -10.424 -13.560 203 HA HIS 26 HA HIS 26 -4.381 -7.620 -12.672 204 1HB HIS 26 2HB HIS 26 -1.764 -8.295 -12.805 205 2HB HIS 26 1HB HIS 26 -2.673 -8.283 -11.298 206 HD1 HIS 26 HD1 HIS 26 -2.976 -10.914 -14.014 207 HD2 HIS 26 HD2 HIS 26 -1.501 -10.555 -10.130 208 HE1 HIS 26 HE1 HIS 26 -2.398 -13.256 -13.248 209 H LYS 27 H LYS 27 -3.905 -6.322 -14.400 210 HA LYS 27 HA LYS 27 -3.105 -7.669 -16.920 211 1HB LYS 27 2HB LYS 27 -5.031 -5.490 -16.314 212 2HB LYS 27 1HB LYS 27 -4.096 -5.327 -17.801 213 1HG LYS 27 2HG LYS 27 -5.097 -8.042 -17.444 214 2HG LYS 27 1HG LYS 27 -6.404 -6.860 -17.476 215 1HD LYS 27 2HD LYS 27 -4.220 -6.629 -19.512 216 2HD LYS 27 1HD LYS 27 -5.451 -7.872 -19.733 217 1HE LYS 27 2HE LYS 27 -7.010 -5.734 -19.083 218 2HE LYS 27 1HE LYS 27 -5.687 -4.930 -19.928 219 1HZ LYS 27 1HZ LYS 27 -5.996 -6.625 -21.720 220 2HZ LYS 27 2HZ LYS 27 -7.279 -5.525 -21.545 221 3HZ LYS 27 3HZ LYS 27 -7.424 -7.106 -20.941 222 H THR 28 H THR 28 -3.083 -4.244 -15.959 223 HA THR 28 HA THR 28 -0.308 -4.040 -16.959 224 HB THR 28 HB THR 28 -2.260 -1.944 -15.962 225 HG1 THR 28 HG1 THR 28 -2.902 -1.996 -17.941 226 1HG2 THR 28 1HG2 THR 28 -0.015 -1.170 -15.533 227 2HG2 THR 28 2HG2 THR 28 -0.596 -0.353 -16.985 228 3HG2 THR 28 3HG2 THR 28 0.525 -1.708 -17.123 229 H GLY 29 H GLY 29 -2.124 -3.609 -13.934 230 1HA GLY 29 2HA GLY 29 0.466 -3.274 -12.494 231 2HA GLY 29 1HA GLY 29 -1.104 -2.812 -11.848 232 HA PRO 30 HA PRO 30 0.153 -7.348 -10.864 233 1HB PRO 30 2HB PRO 30 1.316 -6.971 -8.407 234 2HB PRO 30 1HB PRO 30 2.223 -7.081 -9.923 235 1HG PRO 30 2HG PRO 30 1.515 -4.642 -8.325 236 2HG PRO 30 1HG PRO 30 2.963 -4.968 -9.294 237 1HD PRO 30 2HD PRO 30 0.869 -3.369 -10.162 238 2HD PRO 30 1HD PRO 30 1.985 -4.228 -11.244 239 H ASN 31 H ASN 31 -1.453 -8.466 -9.914 240 HA ASN 31 HA ASN 31 -3.740 -7.320 -8.797 241 1HB ASN 31 2HB ASN 31 -3.793 -9.627 -9.474 242 2HB ASN 31 1HB ASN 31 -2.523 -10.052 -8.325 243 1HD2 ASN 31 1HD2 ASN 31 -5.625 -8.205 -8.026 244 2HD2 ASN 31 2HD2 ASN 31 -6.184 -9.092 -6.690 245 H LEU 32 H LEU 32 -3.445 -5.797 -7.190 246 HA LEU 32 HA LEU 32 -1.700 -6.306 -4.912 247 1HB LEU 32 2HB LEU 32 -3.163 -4.047 -6.042 248 2HB LEU 32 1HB LEU 32 -3.311 -4.117 -4.288 249 HG LEU 32 HG LEU 32 -0.993 -3.908 -3.956 250 1HD1 LEU 32 1HD1 LEU 32 -0.860 -5.329 -6.499 251 2HD1 LEU 32 2HD1 LEU 32 0.333 -5.244 -5.203 252 3HD1 LEU 32 3HD1 LEU 32 0.284 -3.987 -6.440 253 1HD2 LEU 32 1HD2 LEU 32 -2.090 -2.246 -6.162 254 2HD2 LEU 32 2HD2 LEU 32 -0.341 -2.190 -5.941 255 3HD2 LEU 32 3HD2 LEU 32 -1.411 -1.751 -4.610 256 H HIS 33 H HIS 33 -3.083 -8.394 -4.523 257 HA HIS 33 HA HIS 33 -5.585 -7.796 -3.037 258 1HB HIS 33 2HB HIS 33 -5.279 -9.689 -4.819 259 2HB HIS 33 1HB HIS 33 -4.488 -10.558 -3.506 260 HD1 HIS 33 HD1 HIS 33 -6.433 -12.268 -3.285 261 HD2 HIS 33 HD2 HIS 33 -7.603 -8.312 -2.686 262 HE1 HIS 33 HE1 HIS 33 -8.763 -12.353 -2.296 263 H GLY 34 H GLY 34 -2.301 -8.182 -2.407 264 1HA GLY 34 2HA GLY 34 -2.702 -8.202 0.446 265 2HA GLY 34 1HA GLY 34 -2.158 -9.786 -0.109 266 H LEU 35 H LEU 35 -1.319 -6.355 -0.735 267 HA LEU 35 HA LEU 35 1.455 -7.053 -1.239 268 1HB LEU 35 2HB LEU 35 0.356 -5.155 -2.389 269 2HB LEU 35 1HB LEU 35 0.174 -4.337 -0.837 270 HG LEU 35 HG LEU 35 2.870 -5.048 -0.912 271 1HD1 LEU 35 1HD1 LEU 35 3.611 -4.063 -3.094 272 2HD1 LEU 35 2HD1 LEU 35 1.927 -4.060 -3.619 273 3HD1 LEU 35 3HD1 LEU 35 2.742 -5.587 -3.280 274 1HD2 LEU 35 1HD2 LEU 35 3.207 -2.601 -1.203 275 2HD2 LEU 35 2HD2 LEU 35 1.936 -2.953 -0.033 276 3HD2 LEU 35 3HD2 LEU 35 1.513 -2.439 -1.665 277 H PHE 36 H PHE 36 -0.407 -5.844 1.487 278 HA PHE 36 HA PHE 36 1.840 -4.995 3.073 279 1HB PHE 36 2HB PHE 36 -0.920 -5.931 3.921 280 2HB PHE 36 1HB PHE 36 0.241 -5.121 4.972 281 HD1 PHE 36 HD1 PHE 36 -1.822 -4.726 1.907 282 HD2 PHE 36 HD2 PHE 36 0.566 -2.753 4.882 283 HE1 PHE 36 HE1 PHE 36 -2.591 -2.530 1.063 284 HE2 PHE 36 HE2 PHE 36 -0.207 -0.552 4.041 285 HZ PHE 36 HZ PHE 36 -1.785 -0.439 2.131 286 H GLY 37 H GLY 37 3.343 -6.264 4.033 287 1HA GLY 37 2HA GLY 37 4.271 -8.129 5.145 288 2HA GLY 37 1HA GLY 37 2.649 -8.814 5.253 289 H ARG 38 H ARG 38 3.997 -7.764 2.193 290 HA ARG 38 HA ARG 38 4.696 -10.546 1.449 291 1HB ARG 38 2HB ARG 38 2.166 -9.576 0.891 292 2HB ARG 38 1HB ARG 38 3.050 -9.229 -0.595 293 1HG ARG 38 2HG ARG 38 3.720 -11.869 0.397 294 2HG ARG 38 1HG ARG 38 1.977 -11.710 0.186 295 1HD ARG 38 2HD ARG 38 4.154 -11.380 -1.874 296 2HD ARG 38 1HD ARG 38 2.731 -12.418 -1.935 297 HE ARG 38 HE ARG 38 1.408 -10.219 -2.093 298 1HH1 ARG 38 1HH1 ARG 38 2.954 -11.082 -4.604 299 2HH1 ARG 38 2HH1 ARG 38 3.660 -9.574 -5.082 300 1HH2 ARG 38 1HH2 ARG 38 3.074 -8.029 -2.032 301 2HH2 ARG 38 2HH2 ARG 38 3.731 -7.847 -3.624 302 H LYS 39 H LYS 39 6.634 -10.393 0.428 303 HA LYS 39 HA LYS 39 7.759 -7.906 -0.451 304 1HB LYS 39 2HB LYS 39 9.456 -9.414 -1.588 305 2HB LYS 39 1HB LYS 39 9.245 -9.709 0.138 306 1HG LYS 39 2HG LYS 39 7.319 -11.264 -1.327 307 2HG LYS 39 1HG LYS 39 8.930 -11.570 -1.979 308 1HD LYS 39 2HD LYS 39 9.501 -12.772 -0.164 309 2HD LYS 39 1HD LYS 39 9.023 -11.458 0.911 310 1HE LYS 39 2HE LYS 39 6.954 -12.350 1.302 311 2HE LYS 39 1HE LYS 39 6.800 -12.972 -0.341 312 1HZ LYS 39 1HZ LYS 39 7.123 -14.621 1.586 313 2HZ LYS 39 2HZ LYS 39 8.755 -14.152 1.520 314 3HZ LYS 39 3HZ LYS 39 8.014 -14.852 0.161 315 H THR 40 H THR 40 8.576 -7.726 -2.853 316 HA THR 40 HA THR 40 6.174 -7.859 -4.550 317 HB THR 40 HB THR 40 7.196 -6.274 -5.874 318 HG1 THR 40 HG1 THR 40 8.882 -7.289 -6.717 319 1HG2 THR 40 1HG2 THR 40 7.898 -4.691 -4.408 320 2HG2 THR 40 2HG2 THR 40 9.223 -5.696 -3.820 321 3HG2 THR 40 3HG2 THR 40 7.597 -5.918 -3.178 322 H GLY 41 H GLY 41 6.685 -8.514 -6.963 323 1HA GLY 41 2HA GLY 41 7.171 -10.252 -8.453 324 2HA GLY 41 1HA GLY 41 8.669 -10.459 -7.550 325 H GLN 42 H GLN 42 5.426 -11.649 -8.012 326 HA GLN 42 HA GLN 42 6.133 -14.119 -6.611 327 1HB GLN 42 2HB GLN 42 4.866 -12.096 -5.123 328 2HB GLN 42 1HB GLN 42 3.593 -13.253 -5.519 329 1HG GLN 42 2HG GLN 42 4.736 -13.855 -3.406 330 2HG GLN 42 1HG GLN 42 4.974 -15.091 -4.641 331 1HE2 GLN 42 1HE2 GLN 42 6.587 -12.130 -3.353 332 2HE2 GLN 42 2HE2 GLN 42 8.165 -12.702 -3.611 333 H ALA 43 H ALA 43 3.262 -12.295 -7.759 334 HA ALA 43 HA ALA 43 1.622 -14.382 -8.518 335 1HB ALA 43 1HB ALA 43 1.145 -11.921 -8.809 336 2HB ALA 43 2HB ALA 43 0.646 -12.919 -10.175 337 3HB ALA 43 3HB ALA 43 2.126 -11.965 -10.274 338 HA PRO 44 HA PRO 44 4.067 -16.538 -11.539 339 1HB PRO 44 2HB PRO 44 2.139 -18.381 -12.200 340 2HB PRO 44 1HB PRO 44 3.110 -18.471 -10.721 341 1HG PRO 44 2HG PRO 44 0.255 -17.679 -11.044 342 2HG PRO 44 1HG PRO 44 1.074 -18.370 -9.634 343 1HD PRO 44 2HD PRO 44 0.396 -15.642 -9.994 344 2HD PRO 44 1HD PRO 44 1.481 -16.298 -8.749 345 H GLY 45 H GLY 45 4.296 -16.332 -13.774 346 1HA GLY 45 2HA GLY 45 3.603 -16.017 -16.033 347 2HA GLY 45 1HA GLY 45 1.947 -15.787 -15.467 348 H TYR 46 H TYR 46 2.168 -13.753 -13.675 349 HA TYR 46 HA TYR 46 2.716 -11.457 -15.415 350 1HB TYR 46 2HB TYR 46 0.739 -11.572 -13.881 351 2HB TYR 46 1HB TYR 46 1.844 -11.536 -12.513 352 HD1 TYR 46 HD1 TYR 46 3.607 -9.497 -14.617 353 HD2 TYR 46 HD2 TYR 46 -0.172 -9.520 -12.584 354 HE1 TYR 46 HE1 TYR 46 3.560 -7.045 -14.683 355 HE2 TYR 46 HE2 TYR 46 -0.173 -7.054 -12.637 356 HH TYR 46 HH TYR 46 1.424 -5.205 -12.838 357 H SER 47 H SER 47 4.879 -11.056 -15.634 358 HA SER 47 HA SER 47 6.739 -11.400 -13.412 359 1HB SER 47 2HB SER 47 8.060 -9.865 -15.286 360 2HB SER 47 1HB SER 47 8.041 -11.626 -15.261 361 HG SER 47 HG SER 47 7.294 -11.134 -17.237 362 H TYR 48 H TYR 48 5.584 -9.973 -11.895 363 HA TYR 48 HA TYR 48 4.889 -7.305 -12.144 364 1HB TYR 48 2HB TYR 48 6.341 -8.728 -9.927 365 2HB TYR 48 1HB TYR 48 5.834 -7.061 -9.766 366 HD1 TYR 48 HD1 TYR 48 3.633 -9.077 -11.806 367 HD2 TYR 48 HD2 TYR 48 4.614 -7.977 -7.787 368 HE1 TYR 48 HE1 TYR 48 1.410 -9.872 -11.039 369 HE2 TYR 48 HE2 TYR 48 2.387 -8.761 -7.014 370 HH TYR 48 HH TYR 48 -0.099 -9.067 -8.618 371 H THR 49 H THR 49 6.296 -5.380 -11.219 372 HA THR 49 HA THR 49 8.586 -5.028 -12.913 373 HB THR 49 HB THR 49 7.566 -3.016 -12.189 374 HG1 THR 49 HG1 THR 49 9.219 -2.116 -10.728 375 1HG2 THR 49 1HG2 THR 49 7.839 -2.972 -9.372 376 2HG2 THR 49 2HG2 THR 49 7.125 -4.531 -9.781 377 3HG2 THR 49 3HG2 THR 49 6.344 -3.040 -10.304 378 H ALA 50 H ALA 50 9.869 -6.907 -12.486 379 HA ALA 50 HA ALA 50 10.769 -8.006 -10.145 380 1HB ALA 50 1HB ALA 50 11.785 -9.102 -11.868 381 2HB ALA 50 2HB ALA 50 13.112 -7.989 -11.534 382 3HB ALA 50 3HB ALA 50 11.966 -7.631 -12.825 383 H ALA 51 H ALA 51 11.891 -4.975 -11.583 384 HA ALA 51 HA ALA 51 14.127 -4.320 -10.133 385 1HB ALA 51 1HB ALA 51 13.407 -1.981 -10.220 386 2HB ALA 51 2HB ALA 51 11.739 -2.483 -10.491 387 3HB ALA 51 3HB ALA 51 12.964 -2.792 -11.719 388 H ASN 52 H ASN 52 10.867 -3.462 -8.900 389 HA ASN 52 HA ASN 52 11.534 -2.791 -6.292 390 1HB ASN 52 2HB ASN 52 9.175 -3.343 -7.669 391 2HB ASN 52 1HB ASN 52 9.179 -4.516 -6.351 392 1HD2 ASN 52 1HD2 ASN 52 7.874 -1.643 -6.958 393 2HD2 ASN 52 2HD2 ASN 52 8.017 -0.882 -5.450 394 H LYS 53 H LYS 53 10.757 -6.088 -7.445 395 HA LYS 53 HA LYS 53 11.087 -7.489 -5.057 396 1HB LYS 53 2HB LYS 53 10.482 -8.349 -7.432 397 2HB LYS 53 1HB LYS 53 12.220 -8.570 -7.629 398 1HG LYS 53 2HG LYS 53 11.888 -9.699 -5.191 399 2HG LYS 53 1HG LYS 53 10.312 -10.046 -5.902 400 1HD LYS 53 2HD LYS 53 11.393 -11.084 -7.845 401 2HD LYS 53 1HD LYS 53 12.981 -10.700 -7.181 402 1HE LYS 53 2HE LYS 53 12.480 -12.092 -5.196 403 2HE LYS 53 1HE LYS 53 10.909 -12.495 -5.886 404 1HZ LYS 53 1HZ LYS 53 12.974 -14.034 -6.248 405 2HZ LYS 53 2HZ LYS 53 13.304 -12.947 -7.511 406 3HZ LYS 53 3HZ LYS 53 11.836 -13.803 -7.483 407 H ASN 54 H ASN 54 13.652 -6.437 -7.306 408 HA ASN 54 HA ASN 54 15.765 -7.702 -5.823 409 1HB ASN 54 2HB ASN 54 16.004 -5.333 -7.693 410 2HB ASN 54 1HB ASN 54 17.273 -6.478 -7.258 411 1HD2 ASN 54 1HD2 ASN 54 16.749 -6.217 -9.963 412 2HD2 ASN 54 2HD2 ASN 54 15.918 -7.580 -10.542 413 H LYS 55 H LYS 55 14.226 -4.532 -5.671 414 HA LYS 55 HA LYS 55 16.156 -3.146 -4.156 415 1HB LYS 55 2HB LYS 55 13.982 -2.215 -5.074 416 2HB LYS 55 1HB LYS 55 13.170 -2.967 -3.700 417 1HG LYS 55 2HG LYS 55 13.664 -1.115 -2.512 418 2HG LYS 55 1HG LYS 55 15.354 -1.617 -2.579 419 1HD LYS 55 2HD LYS 55 14.323 -0.263 -5.007 420 2HD LYS 55 1HD LYS 55 14.472 0.749 -3.569 421 1HE LYS 55 2HE LYS 55 16.724 -1.064 -4.417 422 2HE LYS 55 1HE LYS 55 16.540 0.541 -5.124 423 1HZ LYS 55 1HZ LYS 55 16.513 0.155 -2.199 424 2HZ LYS 55 2HZ LYS 55 16.850 1.567 -3.084 425 3HZ LYS 55 3HZ LYS 55 17.979 0.297 -3.043 426 H GLY 56 H GLY 56 14.292 -5.903 -3.270 427 1HA GLY 56 1HA GLY 56 14.212 -7.110 -1.256 428 2HA GLY 56 2HA GLY 56 15.625 -6.179 -0.749 429 H ILE 57 H ILE 57 12.248 -5.294 -1.527 430 HA ILE 57 HA ILE 57 12.186 -3.803 1.067 431 HB ILE 57 HB ILE 57 11.972 -2.533 -1.156 432 1HG1 ILE 57 2HG1 ILE 57 11.270 -1.645 1.080 433 2HG1 ILE 57 1HG1 ILE 57 10.287 -1.028 -0.249 434 1HG2 ILE 57 1HG2 ILE 57 10.312 -4.413 -1.962 435 2HG2 ILE 57 2HG2 ILE 57 10.037 -2.739 -2.439 436 3HG2 ILE 57 3HG2 ILE 57 9.109 -3.441 -1.114 437 1HD1 ILE 57 1HD1 ILE 57 8.888 -3.273 0.404 438 2HD1 ILE 57 2HD1 ILE 57 8.545 -1.677 1.070 439 3HD1 ILE 57 3HD1 ILE 57 9.532 -2.818 1.982 440 H ILE 58 H ILE 58 10.649 -4.363 2.543 441 HA ILE 58 HA ILE 58 8.743 -6.521 1.803 442 HB ILE 58 HB ILE 58 9.921 -7.017 3.825 443 1HG1 ILE 58 2HG1 ILE 58 8.153 -7.178 5.434 444 2HG1 ILE 58 1HG1 ILE 58 7.341 -5.756 4.781 445 1HG2 ILE 58 1HG2 ILE 58 10.915 -4.973 4.449 446 2HG2 ILE 58 2HG2 ILE 58 9.758 -5.274 5.745 447 3HG2 ILE 58 3HG2 ILE 58 9.370 -4.123 4.467 448 1HD1 ILE 58 1HD1 ILE 58 7.828 -8.050 2.931 449 2HD1 ILE 58 2HD1 ILE 58 6.492 -6.900 2.963 450 3HD1 ILE 58 3HD1 ILE 58 6.549 -8.219 4.133 451 H TRP 59 H TRP 59 7.104 -5.430 0.729 452 HA TRP 59 HA TRP 59 6.064 -2.939 0.967 453 1HB TRP 59 2HB TRP 59 4.615 -5.561 0.642 454 2HB TRP 59 1HB TRP 59 3.763 -4.018 0.568 455 HD1 TRP 59 HD1 TRP 59 4.949 -6.319 -1.776 456 HE1 TRP 59 HE1 TRP 59 5.853 -5.227 -3.931 457 HE3 TRP 59 HE3 TRP 59 5.565 -1.526 -0.138 458 HZ2 TRP 59 HZ2 TRP 59 6.725 -2.653 -4.834 459 HZ3 TRP 59 HZ3 TRP 59 6.432 0.223 -1.659 460 HH2 TRP 59 HH2 TRP 59 7.012 -0.336 -4.002 461 H GLY 60 H GLY 60 5.360 -1.704 2.576 462 1HA GLY 60 1HA GLY 60 3.780 -2.906 4.784 463 2HA GLY 60 2HA GLY 60 5.219 -1.976 5.209 464 H GLU 61 H GLU 61 3.556 -0.556 6.317 465 HA GLU 61 HA GLU 61 1.726 0.976 4.650 466 1HB GLU 61 2HB GLU 61 1.409 0.504 7.123 467 2HB GLU 61 1HB GLU 61 2.694 1.672 7.434 468 1HG GLU 61 2HG GLU 61 0.769 2.771 5.574 469 2HG GLU 61 1HG GLU 61 -0.040 2.228 7.044 470 H ASP 62 H ASP 62 4.317 2.278 6.740 471 HA ASP 62 HA ASP 62 4.634 4.660 5.226 472 1HB ASP 62 2HB ASP 62 6.898 4.762 6.411 473 2HB ASP 62 1HB ASP 62 5.482 4.637 7.457 474 H THR 63 H THR 63 6.155 1.488 4.928 475 HA THR 63 HA THR 63 8.266 2.204 3.168 476 HB THR 63 HB THR 63 7.322 -0.314 2.316 477 HG1 THR 63 HG1 THR 63 7.077 -1.288 4.432 478 1HG2 THR 63 1HG2 THR 63 9.187 -0.985 4.095 479 2HG2 THR 63 2HG2 THR 63 9.466 0.757 4.095 480 3HG2 THR 63 3HG2 THR 63 9.605 -0.158 2.594 481 H LEU 64 H LEU 64 4.923 1.191 2.480 482 HA LEU 64 HA LEU 64 5.095 1.401 -0.361 483 1HB LEU 64 2HB LEU 64 3.114 0.778 1.526 484 2HB LEU 64 1HB LEU 64 2.498 2.193 0.674 485 HG LEU 64 HG LEU 64 3.475 -0.383 -0.592 486 1HD1 LEU 64 1HD1 LEU 64 1.329 -0.950 -0.068 487 2HD1 LEU 64 2HD1 LEU 64 0.926 0.057 -1.457 488 3HD1 LEU 64 3HD1 LEU 64 0.841 0.727 0.171 489 1HD2 LEU 64 1HD2 LEU 64 2.575 2.261 -1.762 490 2HD2 LEU 64 2HD2 LEU 64 2.577 0.764 -2.693 491 3HD2 LEU 64 3HD2 LEU 64 4.091 1.409 -2.059 492 H MET 65 H MET 65 4.434 3.781 2.169 493 HA MET 65 HA MET 65 3.532 5.925 0.573 494 1HB MET 65 2HB MET 65 3.533 6.031 3.022 495 2HB MET 65 1HB MET 65 5.297 6.000 3.039 496 1HG MET 65 2HG MET 65 5.395 8.132 1.873 497 2HG MET 65 1HG MET 65 3.642 8.147 1.681 498 1HE MET 65 1HE MET 65 5.974 10.211 4.556 499 2HE MET 65 2HE MET 65 4.873 10.871 3.349 500 3HE MET 65 3HE MET 65 6.120 9.726 2.861 501 H GLU 66 H GLU 66 6.811 4.731 1.154 502 HA GLU 66 HA GLU 66 8.121 6.947 -0.145 503 1HB GLU 66 2HB GLU 66 9.186 5.292 1.479 504 2HB GLU 66 1HB GLU 66 9.226 4.148 0.135 505 1HG GLU 66 2HG GLU 66 10.237 6.694 -0.754 506 2HG GLU 66 1HG GLU 66 11.097 6.202 0.706 507 H TYR 67 H TYR 67 7.699 3.553 -1.225 508 HA TYR 67 HA TYR 67 8.547 3.942 -3.887 509 1HB TYR 67 2HB TYR 67 8.209 1.701 -3.122 510 2HB TYR 67 1HB TYR 67 6.526 2.025 -2.705 511 HD1 TYR 67 HD1 TYR 67 4.971 1.114 -4.174 512 HD2 TYR 67 HD2 TYR 67 8.737 2.484 -5.715 513 HE1 TYR 67 HE1 TYR 67 4.275 0.456 -6.459 514 HE2 TYR 67 HE2 TYR 67 8.040 1.823 -7.998 515 HH TYR 67 HH TYR 67 5.816 -0.223 -8.722 516 H LEU 68 H LEU 68 5.622 4.966 -2.338 517 HA LEU 68 HA LEU 68 4.212 5.355 -4.892 518 1HB LEU 68 2HB LEU 68 3.415 5.051 -2.204 519 2HB LEU 68 1HB LEU 68 2.982 6.702 -2.650 520 HG LEU 68 HG LEU 68 1.933 5.750 -4.752 521 1HD1 LEU 68 1HD1 LEU 68 1.620 3.433 -4.998 522 2HD1 LEU 68 2HD1 LEU 68 1.948 3.113 -3.295 523 3HD1 LEU 68 3HD1 LEU 68 3.270 3.533 -4.384 524 1HD2 LEU 68 1HD2 LEU 68 0.086 6.062 -3.500 525 2HD2 LEU 68 2HD2 LEU 68 0.996 5.737 -2.025 526 3HD2 LEU 68 3HD2 LEU 68 0.247 4.409 -2.909 527 H GLU 69 H GLU 69 5.970 7.256 -2.504 528 HA GLU 69 HA GLU 69 5.228 9.844 -3.445 529 1HB GLU 69 2HB GLU 69 6.693 9.000 -1.379 530 2HB GLU 69 1HB GLU 69 8.010 9.310 -2.501 531 1HG GLU 69 2HG GLU 69 6.729 11.589 -2.896 532 2HG GLU 69 1HG GLU 69 6.054 11.240 -1.303 533 H ASN 70 H ASN 70 7.288 7.353 -4.634 534 HA ASN 70 HA ASN 70 7.567 8.511 -7.226 535 1HB ASN 70 2HB ASN 70 9.116 9.970 -5.732 536 2HB ASN 70 1HB ASN 70 10.173 8.558 -5.716 537 1HD2 ASN 70 1HD2 ASN 70 9.294 11.330 -7.534 538 2HD2 ASN 70 2HD2 ASN 70 10.093 10.922 -8.974 539 HA PRO 71 HA PRO 71 8.397 4.061 -6.999 540 1HB PRO 71 2HB PRO 71 7.121 3.521 -9.383 541 2HB PRO 71 1HB PRO 71 6.292 3.620 -7.819 542 1HG PRO 71 2HG PRO 71 6.320 5.596 -10.055 543 2HG PRO 71 1HG PRO 71 5.077 5.304 -8.828 544 1HD PRO 71 2HD PRO 71 6.931 7.427 -8.795 545 2HD PRO 71 1HD PRO 71 5.960 6.879 -7.413 546 H LYS 72 H LYS 72 8.902 6.360 -9.635 547 HA LYS 72 HA LYS 72 10.758 4.668 -11.081 548 1HB LYS 72 2HB LYS 72 9.489 6.523 -12.167 549 2HB LYS 72 1HB LYS 72 10.413 7.678 -11.207 550 1HG LYS 72 2HG LYS 72 12.369 7.308 -12.386 551 2HG LYS 72 1HG LYS 72 11.925 5.652 -12.805 552 1HD LYS 72 2HD LYS 72 11.291 6.425 -14.825 553 2HD LYS 72 1HD LYS 72 9.961 7.249 -14.011 554 1HE LYS 72 2HE LYS 72 12.620 8.585 -13.919 555 2HE LYS 72 1HE LYS 72 11.789 8.574 -15.474 556 1HZ LYS 72 1HZ LYS 72 11.168 10.033 -13.085 557 2HZ LYS 72 2HZ LYS 72 9.826 9.204 -13.714 558 3HZ LYS 72 3HZ LYS 72 10.673 10.313 -14.682 559 H LYS 73 H LYS 73 10.910 6.516 -8.235 560 HA LYS 73 HA LYS 73 13.840 6.949 -8.437 561 1HB LYS 73 2HB LYS 73 12.761 8.842 -7.517 562 2HB LYS 73 1HB LYS 73 11.691 7.857 -6.523 563 1HG LYS 73 2HG LYS 73 13.154 7.922 -4.818 564 2HG LYS 73 1HG LYS 73 14.429 7.267 -5.845 565 1HD LYS 73 2HD LYS 73 15.385 9.307 -5.416 566 2HD LYS 73 1HD LYS 73 14.385 9.786 -6.789 567 1HE LYS 73 2HE LYS 73 12.810 9.854 -4.375 568 2HE LYS 73 1HE LYS 73 14.278 10.805 -4.151 569 1HZ LYS 73 1HZ LYS 73 11.988 11.399 -5.710 570 2HZ LYS 73 2HZ LYS 73 13.377 11.385 -6.691 571 3HZ LYS 73 3HZ LYS 73 13.308 12.393 -5.326 572 H TYR 74 H TYR 74 11.463 5.279 -6.354 573 HA TYR 74 HA TYR 74 13.487 3.981 -4.741 574 1HB TYR 74 2HB TYR 74 11.011 4.381 -4.155 575 2HB TYR 74 1HB TYR 74 10.668 2.983 -5.172 576 HD1 TYR 74 HD1 TYR 74 10.279 1.077 -3.899 577 HD2 TYR 74 HD2 TYR 74 13.365 3.810 -2.690 578 HE1 TYR 74 HE1 TYR 74 10.886 -0.435 -2.028 579 HE2 TYR 74 HE2 TYR 74 13.972 2.297 -0.819 580 HH TYR 74 HH TYR 74 12.729 -0.911 -0.573 581 H ILE 75 H ILE 75 11.169 2.559 -7.063 582 HA ILE 75 HA ILE 75 12.821 0.206 -7.427 583 HB ILE 75 HB ILE 75 10.531 1.021 -9.200 584 1HG1 ILE 75 2HG1 ILE 75 9.684 1.536 -7.021 585 2HG1 ILE 75 1HG1 ILE 75 9.048 -0.055 -7.432 586 1HG2 ILE 75 1HG2 ILE 75 12.092 -1.290 -8.822 587 2HG2 ILE 75 2HG2 ILE 75 10.644 -1.125 -9.814 588 3HG2 ILE 75 3HG2 ILE 75 10.508 -1.649 -8.135 589 1HD1 ILE 75 1HD1 ILE 75 11.321 0.625 -5.564 590 2HD1 ILE 75 2HD1 ILE 75 11.111 -0.997 -6.218 591 3HD1 ILE 75 3HD1 ILE 75 9.853 -0.286 -5.209 592 HA PRO 76 HA PRO 76 15.173 2.205 -10.649 593 1HB PRO 76 2HB PRO 76 16.710 0.005 -11.258 594 2HB PRO 76 1HB PRO 76 17.019 1.071 -9.877 595 1HG PRO 76 2HG PRO 76 15.824 -1.667 -9.909 596 2HG PRO 76 1HG PRO 76 16.747 -0.859 -8.630 597 1HD PRO 76 2HD PRO 76 13.949 -1.159 -8.668 598 2HD PRO 76 1HD PRO 76 14.850 -0.020 -7.647 599 H GLY 77 H GLY 77 12.994 2.108 -11.878 600 1HA GLY 77 2HA GLY 77 12.650 1.754 -14.322 601 2HA GLY 77 1HA GLY 77 13.228 0.106 -14.084 602 H THR 78 H THR 78 10.979 1.749 -11.875 603 HA THR 78 HA THR 78 9.170 -0.391 -11.715 604 HB THR 78 HB THR 78 9.098 1.680 -10.266 605 HG1 THR 78 HG1 THR 78 7.355 0.207 -10.342 606 1HG2 THR 78 1HG2 THR 78 7.881 2.799 -12.800 607 2HG2 THR 78 2HG2 THR 78 9.244 3.437 -11.882 608 3HG2 THR 78 3HG2 THR 78 7.613 3.526 -11.217 609 H LYS 79 H LYS 79 6.962 -0.545 -12.674 610 HA LYS 79 HA LYS 79 7.066 0.257 -15.543 611 1HB LYS 79 2HB LYS 79 5.554 -1.923 -14.082 612 2HB LYS 79 1HB LYS 79 5.218 -1.489 -15.758 613 1HG LYS 79 2HG LYS 79 7.931 -1.730 -15.841 614 2HG LYS 79 1HG LYS 79 7.534 -2.933 -14.613 615 1HD LYS 79 2HD LYS 79 6.907 -4.349 -16.244 616 2HD LYS 79 1HD LYS 79 5.623 -3.227 -16.692 617 1HE LYS 79 2HE LYS 79 6.775 -3.248 -18.687 618 2HE LYS 79 1HE LYS 79 7.675 -1.969 -17.871 619 1HZ LYS 79 1HZ LYS 79 9.173 -3.787 -17.034 620 2HZ LYS 79 2HZ LYS 79 9.263 -3.469 -18.701 621 3HZ LYS 79 3HZ LYS 79 8.410 -4.826 -18.137 622 H MET 80 H MET 80 6.018 1.667 -12.884 623 HA MET 80 HA MET 80 3.488 2.572 -14.193 624 1HB MET 80 2HB MET 80 2.336 2.615 -12.085 625 2HB MET 80 1HB MET 80 3.123 1.053 -12.222 626 1HG MET 80 2HG MET 80 4.899 1.711 -10.781 627 2HG MET 80 1HG MET 80 4.353 3.372 -10.771 628 1HE MET 80 1HE MET 80 3.348 4.358 -9.448 629 2HE MET 80 2HE MET 80 3.168 3.791 -7.790 630 3HE MET 80 3HE MET 80 1.745 3.962 -8.814 631 H ILE 81 H ILE 81 3.384 4.720 -14.479 632 HA ILE 81 HA ILE 81 5.313 6.445 -12.983 633 HB ILE 81 HB ILE 81 5.455 6.342 -15.533 634 1HG1 ILE 81 2HG1 ILE 81 5.502 8.888 -15.729 635 2HG1 ILE 81 1HG1 ILE 81 4.891 8.937 -14.075 636 1HG2 ILE 81 1HG2 ILE 81 3.000 8.086 -15.483 637 2HG2 ILE 81 2HG2 ILE 81 2.852 6.337 -15.648 638 3HG2 ILE 81 3HG2 ILE 81 3.744 7.263 -16.854 639 1HD1 ILE 81 1HD1 ILE 81 6.883 8.277 -13.182 640 2HD1 ILE 81 2HD1 ILE 81 7.542 8.873 -14.706 641 3HD1 ILE 81 3HD1 ILE 81 7.212 7.153 -14.501 642 H PHE 82 H PHE 82 2.920 5.555 -11.837 643 HA PHE 82 HA PHE 82 0.669 7.240 -12.134 644 1HB PHE 82 2HB PHE 82 0.183 5.387 -10.860 645 2HB PHE 82 1HB PHE 82 1.748 5.400 -10.057 646 HD1 PHE 82 HD1 PHE 82 1.645 5.780 -7.775 647 HD2 PHE 82 HD2 PHE 82 -1.153 7.755 -10.362 648 HE1 PHE 82 HE1 PHE 82 0.609 6.890 -5.810 649 HE2 PHE 82 HE2 PHE 82 -2.192 8.866 -8.401 650 HZ PHE 82 HZ PHE 82 -1.312 8.429 -6.123 651 H VAL 83 H VAL 83 3.548 7.602 -10.106 652 HA VAL 83 HA VAL 83 3.216 9.498 -8.303 653 HB VAL 83 HB VAL 83 5.147 10.808 -9.871 654 1HG1 VAL 83 1HG1 VAL 83 5.245 10.309 -7.463 655 2HG1 VAL 83 2HG1 VAL 83 6.692 9.729 -8.285 656 3HG1 VAL 83 3HG1 VAL 83 5.425 8.593 -7.822 657 1HG2 VAL 83 1HG2 VAL 83 6.481 9.103 -10.856 658 2HG2 VAL 83 2HG2 VAL 83 4.841 8.741 -11.390 659 3HG2 VAL 83 3HG2 VAL 83 5.562 7.818 -10.072 660 H GLY 84 H GLY 84 1.827 11.139 -8.108 661 1HA GLY 84 2HA GLY 84 1.911 13.519 -9.611 662 2HA GLY 84 1HA GLY 84 0.636 12.527 -10.320 663 H ILE 85 H ILE 85 1.528 12.535 -6.899 664 HA ILE 85 HA ILE 85 -1.205 13.591 -6.299 665 HB ILE 85 HB ILE 85 0.493 12.095 -4.317 666 1HG1 ILE 85 2HG1 ILE 85 -1.277 10.239 -5.427 667 2HG1 ILE 85 1HG1 ILE 85 -0.586 11.065 -6.824 668 1HG2 ILE 85 1HG2 ILE 85 -2.147 11.337 -4.077 669 2HG2 ILE 85 2HG2 ILE 85 -2.284 13.014 -4.605 670 3HG2 ILE 85 3HG2 ILE 85 -1.377 12.621 -3.145 671 1HD1 ILE 85 1HD1 ILE 85 1.601 10.672 -5.149 672 2HD1 ILE 85 2HD1 ILE 85 1.206 9.712 -6.574 673 3HD1 ILE 85 3HD1 ILE 85 0.672 9.182 -4.980 674 H LYS 86 H LYS 86 -1.198 14.663 -3.984 675 HA LYS 86 HA LYS 86 1.226 15.950 -3.097 676 1HB LYS 86 2HB LYS 86 -0.153 17.184 -5.300 677 2HB LYS 86 1HB LYS 86 -0.286 18.222 -3.879 678 1HG LYS 86 2HG LYS 86 2.374 16.995 -4.482 679 2HG LYS 86 1HG LYS 86 1.840 18.354 -5.474 680 1HD LYS 86 2HD LYS 86 1.440 19.676 -3.409 681 2HD LYS 86 1HD LYS 86 2.047 18.327 -2.448 682 1HE LYS 86 2HE LYS 86 4.233 18.497 -3.464 683 2HE LYS 86 1HE LYS 86 3.652 19.692 -4.625 684 1HZ LYS 86 1HZ LYS 86 3.808 20.033 -1.678 685 2HZ LYS 86 2HZ LYS 86 3.162 21.175 -2.757 686 3HZ LYS 86 3HZ LYS 86 4.811 20.773 -2.828 687 H LYS 87 H LYS 87 -0.881 14.533 -1.838 688 HA LYS 87 HA LYS 87 -1.868 16.659 -0.005 689 1HB LYS 87 2HB LYS 87 -3.515 15.216 -1.825 690 2HB LYS 87 1HB LYS 87 -3.860 14.604 -0.207 691 1HG LYS 87 2HG LYS 87 -5.083 16.444 0.202 692 2HG LYS 87 1HG LYS 87 -3.627 17.424 0.018 693 1HD LYS 87 2HD LYS 87 -4.879 16.506 -2.508 694 2HD LYS 87 1HD LYS 87 -5.806 17.685 -1.581 695 1HE LYS 87 2HE LYS 87 -3.483 18.921 -1.401 696 2HE LYS 87 1HE LYS 87 -3.098 17.972 -2.836 697 1HZ LYS 87 1HZ LYS 87 -4.102 20.200 -3.272 698 2HZ LYS 87 2HZ LYS 87 -5.546 19.623 -2.590 699 3HZ LYS 87 3HZ LYS 87 -4.919 18.900 -3.993 700 H LYS 88 H LYS 88 -1.424 16.097 2.076 701 HA LYS 88 HA LYS 88 -0.186 13.552 2.676 702 1HB LYS 88 2HB LYS 88 0.257 15.757 3.861 703 2HB LYS 88 1HB LYS 88 -1.293 15.538 4.673 704 1HG LYS 88 2HG LYS 88 -0.457 13.264 5.429 705 2HG LYS 88 1HG LYS 88 1.132 13.732 4.823 706 1HD LYS 88 2HD LYS 88 0.992 15.785 6.289 707 2HD LYS 88 1HD LYS 88 -0.468 15.097 7.002 708 1HE LYS 88 2HE LYS 88 1.731 14.633 8.239 709 2HE LYS 88 1HE LYS 88 0.716 13.233 7.889 710 1HZ LYS 88 1HZ LYS 88 3.148 13.011 7.343 711 2HZ LYS 88 2HZ LYS 88 2.887 14.118 6.081 712 3HZ LYS 88 3HZ LYS 88 2.073 12.627 6.090 713 H GLU 89 H GLU 89 -3.276 15.005 3.775 714 HA GLU 89 HA GLU 89 -4.257 12.771 5.169 715 1HB GLU 89 2HB GLU 89 -6.555 13.694 4.530 716 2HB GLU 89 1HB GLU 89 -5.468 14.819 5.346 717 1HG GLU 89 2HG GLU 89 -4.837 15.089 2.634 718 2HG GLU 89 1HG GLU 89 -6.597 14.969 2.667 719 H GLU 90 H GLU 90 -4.521 13.515 1.692 720 HA GLU 90 HA GLU 90 -6.200 11.329 0.996 721 1HB GLU 90 2HB GLU 90 -5.239 13.368 -0.415 722 2HB GLU 90 1HB GLU 90 -4.025 12.175 -0.876 723 1HG GLU 90 2HG GLU 90 -5.487 11.046 -2.184 724 2HG GLU 90 1HG GLU 90 -6.749 11.101 -0.952 725 H ARG 91 H ARG 91 -2.668 11.534 1.347 726 HA ARG 91 HA ARG 91 -2.046 8.948 0.333 727 1HB ARG 91 2HB ARG 91 -0.638 10.357 2.619 728 2HB ARG 91 1HB ARG 91 0.047 9.154 1.527 729 1HG ARG 91 2HG ARG 91 -1.147 11.443 0.129 730 2HG ARG 91 1HG ARG 91 0.207 11.886 1.169 731 1HD ARG 91 2HD ARG 91 1.166 9.615 -0.024 732 2HD ARG 91 1HD ARG 91 0.188 10.304 -1.320 733 HE ARG 91 HE ARG 91 1.566 12.354 -1.154 734 1HH1 ARG 91 1HH2 ARG 91 3.041 9.415 -0.918 735 2HH1 ARG 91 2HH2 ARG 91 4.490 9.973 -0.150 736 1HH2 ARG 91 1HH1 ARG 91 3.250 13.151 0.475 737 2HH2 ARG 91 2HH1 ARG 91 4.608 12.089 0.639 738 H ALA 92 H ALA 92 -2.684 9.991 3.695 739 HA ALA 92 HA ALA 92 -2.499 7.439 4.905 740 1HB ALA 92 1HB ALA 92 -2.692 9.575 6.166 741 2HB ALA 92 2HB ALA 92 -3.873 8.383 6.708 742 3HB ALA 92 3HB ALA 92 -4.374 9.706 5.654 743 H ASP 93 H ASP 93 -5.247 9.025 3.300 744 HA ASP 93 HA ASP 93 -7.158 6.982 3.927 745 1HB ASP 93 2HB ASP 93 -7.204 9.457 2.634 746 2HB ASP 93 1HB ASP 93 -7.636 8.299 1.375 747 H LEU 94 H LEU 94 -4.727 7.325 1.421 748 HA LEU 94 HA LEU 94 -5.731 5.333 -0.377 749 1HB LEU 94 2HB LEU 94 -3.015 6.522 0.150 750 2HB LEU 94 1HB LEU 94 -3.184 5.157 -0.956 751 HG LEU 94 HG LEU 94 -4.736 7.754 -1.170 752 1HD1 LEU 94 1HD1 LEU 94 -3.149 8.551 -2.605 753 2HD1 LEU 94 2HD1 LEU 94 -2.795 6.951 -3.259 754 3HD1 LEU 94 3HD1 LEU 94 -2.087 7.453 -1.723 755 1HD2 LEU 94 1HD2 LEU 94 -6.086 6.243 -2.278 756 2HD2 LEU 94 2HD2 LEU 94 -4.752 5.139 -2.613 757 3HD2 LEU 94 3HD2 LEU 94 -4.952 6.601 -3.581 758 H ILE 95 H ILE 95 -3.384 5.134 2.303 759 HA ILE 95 HA ILE 95 -3.034 2.271 2.059 760 HB ILE 95 HB ILE 95 -2.606 3.813 4.614 761 1HG1 ILE 95 2HG1 ILE 95 -1.660 5.317 3.034 762 2HG1 ILE 95 1HG1 ILE 95 -0.300 4.341 3.589 763 1HG2 ILE 95 1HG2 ILE 95 -0.978 2.195 5.042 764 2HG2 ILE 95 2HG2 ILE 95 -0.729 1.848 3.332 765 3HG2 ILE 95 3HG2 ILE 95 -2.173 1.255 4.150 766 1HD1 ILE 95 1HD1 ILE 95 0.014 4.200 1.298 767 2HD1 ILE 95 2HD1 ILE 95 -1.712 4.301 0.950 768 3HD1 ILE 95 3HD1 ILE 95 -1.021 2.794 1.553 769 H ALA 96 H ALA 96 -5.238 4.369 3.790 770 HA ALA 96 HA ALA 96 -6.276 2.554 5.691 771 1HB ALA 96 1HB ALA 96 -7.409 4.448 6.139 772 2HB ALA 96 2HB ALA 96 -8.465 4.063 4.780 773 3HB ALA 96 3HB ALA 96 -7.055 5.096 4.538 774 H TYR 97 H TYR 97 -7.363 3.140 2.329 775 HA TYR 97 HA TYR 97 -9.387 1.098 2.412 776 1HB TYR 97 2HB TYR 97 -9.656 2.754 0.729 777 2HB TYR 97 1HB TYR 97 -7.993 2.572 0.175 778 HD1 TYR 97 HD1 TYR 97 -7.800 1.533 -1.891 779 HD2 TYR 97 HD2 TYR 97 -10.892 0.258 0.798 780 HE1 TYR 97 HE1 TYR 97 -8.527 -0.173 -3.538 781 HE2 TYR 97 HE2 TYR 97 -11.621 -1.449 -0.847 782 HH TYR 97 HH TYR 97 -10.187 -1.617 -4.076 783 H LEU 98 H LEU 98 -5.975 1.171 1.559 784 HA LEU 98 HA LEU 98 -5.997 -1.534 0.481 785 1HB LEU 98 2HB LEU 98 -4.112 0.661 0.709 786 2HB LEU 98 1HB LEU 98 -3.360 -0.854 1.204 787 HG LEU 98 HG LEU 98 -3.017 -0.694 -1.157 788 1HD1 LEU 98 1HD1 LEU 98 -5.443 -2.375 -1.331 789 2HD1 LEU 98 2HD1 LEU 98 -4.339 -2.795 -0.021 790 3HD1 LEU 98 3HD1 LEU 98 -3.763 -2.780 -1.689 791 1HD2 LEU 98 1HD2 LEU 98 -5.772 -0.595 -2.074 792 2HD2 LEU 98 2HD2 LEU 98 -4.417 0.442 -2.516 793 3HD2 LEU 98 3HD2 LEU 98 -5.386 0.817 -1.092 794 H LYS 99 H LYS 99 -6.098 -0.245 3.590 795 HA LYS 99 HA LYS 99 -4.721 -2.569 4.786 796 1HB LYS 99 2HB LYS 99 -4.746 0.103 5.496 797 2HB LYS 99 1HB LYS 99 -5.886 -0.619 6.632 798 1HG LYS 99 2HG LYS 99 -3.330 -2.078 6.156 799 2HG LYS 99 1HG LYS 99 -3.249 -0.595 7.107 800 1HD LYS 99 2HD LYS 99 -5.502 -2.287 7.882 801 2HD LYS 99 1HD LYS 99 -3.951 -3.106 8.073 802 1HE LYS 99 2HE LYS 99 -3.546 -0.478 9.011 803 2HE LYS 99 1HE LYS 99 -5.093 -0.993 9.683 804 1HZ LYS 99 1HZ LYS 99 -2.689 -2.715 9.771 805 2HZ LYS 99 2HZ LYS 99 -4.117 -2.851 10.681 806 3HZ LYS 99 3HZ LYS 99 -3.028 -1.585 10.989 807 H LYS 100 H LYS 100 -7.849 -1.393 4.045 808 HA LYS 100 HA LYS 100 -9.086 -3.289 5.999 809 1HB LYS 100 2HB LYS 100 -9.855 -0.663 4.923 810 2HB LYS 100 1HB LYS 100 -11.158 -1.851 4.882 811 1HG LYS 100 2HG LYS 100 -10.711 -2.356 7.289 812 2HG LYS 100 1HG LYS 100 -9.520 -1.055 7.303 813 1HD LYS 100 2HD LYS 100 -11.632 -0.188 8.148 814 2HD LYS 100 1HD LYS 100 -11.315 0.528 6.568 815 1HE LYS 100 2HE LYS 100 -13.163 -0.411 5.674 816 2HE LYS 100 1HE LYS 100 -12.752 -1.995 6.333 817 1HZ LYS 100 1HZ LYS 100 -14.214 -1.722 7.957 818 2HZ LYS 100 2HZ LYS 100 -14.748 -0.300 7.196 819 3HZ LYS 100 3HZ LYS 100 -13.550 -0.225 8.398 820 H ALA 101 H ALA 101 -8.525 -2.677 2.652 821 HA ALA 101 HA ALA 101 -10.643 -4.515 1.784 822 1HB ALA 101 1HB ALA 101 -8.569 -3.440 -0.084 823 2HB ALA 101 2HB ALA 101 -9.760 -2.324 0.582 824 3HB ALA 101 3HB ALA 101 -10.288 -3.717 -0.363 825 H THR 102 H THR 102 -7.080 -4.360 1.796 826 HA THR 102 HA THR 102 -7.036 -7.232 0.992 827 HB THR 102 HB THR 102 -4.431 -6.528 0.966 828 HG1 THR 102 HG1 THR 102 -5.644 -4.181 0.047 829 1HG2 THR 102 1HG2 THR 102 -4.635 -6.373 -1.388 830 2HG2 THR 102 2HG2 THR 102 -6.249 -5.668 -1.282 831 3HG2 THR 102 3HG2 THR 102 -6.002 -7.371 -0.892 832 H ASN 103 H ASN 103 -5.237 -5.079 3.227 833 HA ASN 103 HA ASN 103 -4.109 -7.091 4.830 834 1HB ASN 103 2HB ASN 103 -3.430 -4.793 5.125 835 2HB ASN 103 1HB ASN 103 -5.065 -4.319 5.585 836 1HD2 ASN 103 1HD2 ASN 103 -5.830 -4.938 7.733 837 2HD2 ASN 103 2HD2 ASN 103 -4.756 -5.480 8.930 838 H GLU 104 HN GLU 104 -7.402 -5.914 4.743 839 HA GLU 104 HA GLU 104 -8.135 -7.137 7.298 840 1HB GLU 104 2HB GLU 104 -9.302 -5.133 6.255 841 2HB GLU 104 1HB GLU 104 -9.993 -6.251 5.078 842 1HG GLU 104 2HG GLU 104 -11.642 -6.132 6.761 843 2HG GLU 104 1HG GLU 104 -10.770 -7.619 7.135 844 HHA HEC 105 HHA HEC 105 4.295 -2.936 -9.037 845 HHB HEC 105 HHB HEC 105 1.304 0.622 -4.770 846 HHC HEC 105 HHC HEC 105 -1.767 3.633 -9.412 847 HHD HEC 105 HHD HEC 105 1.122 -0.030 -13.673 848 1HMA HEC 105 1HMA HEC 105 2.179 -1.220 -3.761 849 2HMA HEC 105 2HMA HEC 105 3.808 -0.558 -3.892 850 3HMA HEC 105 3HMA HEC 105 3.557 -2.302 -3.962 851 1HAA HEC 105 1HAA HEC 105 4.715 -3.241 -5.323 852 2HAA HEC 105 2HAA HEC 105 5.596 -2.745 -6.754 853 1HBA HEC 105 1HBA HEC 105 3.347 -4.265 -7.610 854 2HBA HEC 105 2HBA HEC 105 4.137 -5.161 -6.314 855 1HMB HEC 105 1HMB HEC 105 -1.401 1.966 -4.086 856 2HMB HEC 105 2HMB HEC 105 -0.780 3.609 -4.230 857 3HMB HEC 105 3HMB HEC 105 0.328 2.274 -3.921 858 HAB HEC 105 HAB HEC 105 -2.165 4.663 -7.660 859 1HBB HEC 105 1HBB HEC 105 -2.058 4.940 -4.746 860 2HBB HEC 105 2HBB HEC 105 -1.997 6.153 -6.023 861 3HBB HEC 105 3HBB HEC 105 -0.557 5.214 -5.630 862 1HMC HEC 105 1HMC HEC 105 -2.694 3.940 -11.223 863 2HMC HEC 105 2HMC HEC 105 -1.663 4.595 -12.496 864 3HMC HEC 105 3HMC HEC 105 -2.848 3.345 -12.876 865 HAC HEC 105 HAC HEC 105 0.177 1.615 -14.720 866 1HBC HEC 105 1HBC HEC 105 -2.297 3.201 -14.800 867 2HBC HEC 105 2HBC HEC 105 -0.835 3.297 -15.781 868 3HBC HEC 105 3HBC HEC 105 -0.851 3.978 -14.154 869 1HMD HEC 105 1HMD HEC 105 3.466 -2.926 -14.187 870 2HMD HEC 105 2HMD HEC 105 2.051 -1.916 -14.480 871 3HMD HEC 105 3HMD HEC 105 3.656 -1.190 -14.426 872 1HAD HEC 105 1HAD HEC 105 5.442 -3.093 -12.139 873 2HAD HEC 105 2HAD HEC 105 4.740 -3.894 -10.741 874 1HBD HEC 105 1HBD HEC 105 3.046 -4.290 -13.013 875 2HBD HEC 105 2HBD HEC 105 3.898 -5.497 -12.055 Start of MODEL 11 1 1H GLY 1 1HT GLY 1 -10.568 7.824 10.286 2 2H GLY 1 2HT GLY 1 -9.107 7.295 9.601 3 3H GLY 1 3HT GLY 1 -10.460 6.267 9.626 4 1HA GLY 1 1HA GLY 1 -10.569 8.865 8.232 5 2HA GLY 1 2HA GLY 1 -9.890 7.440 7.441 6 H ASP 2 H ASP 2 -11.429 6.611 6.108 7 HA ASP 2 HA ASP 2 -14.025 5.836 7.254 8 1HB ASP 2 2HB ASP 2 -13.698 8.167 5.516 9 2HB ASP 2 1HB ASP 2 -14.833 6.988 4.856 10 H VAL 3 H VAL 3 -14.992 4.137 6.059 11 HA VAL 3 HA VAL 3 -13.165 2.616 4.393 12 HB VAL 3 HB VAL 3 -16.102 2.229 5.043 13 1HG1 VAL 3 1HG1 VAL 3 -15.402 1.162 2.887 14 2HG1 VAL 3 2HG1 VAL 3 -15.856 -0.010 4.125 15 3HG1 VAL 3 3HG1 VAL 3 -14.153 0.285 3.770 16 1HG2 VAL 3 1HG2 VAL 3 -15.406 0.880 6.794 17 2HG2 VAL 3 2HG2 VAL 3 -14.089 2.053 6.782 18 3HG2 VAL 3 3HG2 VAL 3 -13.876 0.478 6.014 19 H GLU 4 H GLU 4 -16.304 4.211 3.748 20 HA GLU 4 HA GLU 4 -16.289 3.693 0.935 21 1HB GLU 4 2HB GLU 4 -17.858 5.281 2.821 22 2HB GLU 4 1HB GLU 4 -17.693 6.074 1.253 23 1HG GLU 4 2HG GLU 4 -18.473 3.163 1.505 24 2HG GLU 4 1HG GLU 4 -19.668 4.461 1.504 25 H LYS 5 H LYS 5 -14.442 5.878 2.829 26 HA LYS 5 HA LYS 5 -14.013 7.813 0.671 27 1HB LYS 5 2HB LYS 5 -13.676 7.865 3.428 28 2HB LYS 5 1HB LYS 5 -12.023 7.811 2.816 29 1HG LYS 5 2HG LYS 5 -12.459 9.733 1.369 30 2HG LYS 5 1HG LYS 5 -14.146 9.761 1.878 31 1HD LYS 5 2HD LYS 5 -13.156 9.958 4.290 32 2HD LYS 5 1HD LYS 5 -11.687 10.473 3.460 33 1HE LYS 5 2HE LYS 5 -14.369 11.723 2.856 34 2HE LYS 5 1HE LYS 5 -13.339 12.322 4.156 35 1HZ LYS 5 1HZ LYS 5 -13.163 12.937 1.472 36 2HZ LYS 5 2HZ LYS 5 -11.832 11.928 1.790 37 3HZ LYS 5 3HZ LYS 5 -12.059 13.351 2.691 38 H GLY 6 H GLY 6 -11.584 5.928 2.492 39 1HA GLY 6 1HA GLY 6 -9.579 6.033 0.522 40 2HA GLY 6 2HA GLY 6 -9.701 4.754 1.732 41 H LYS 7 H LYS 7 -12.401 3.957 0.710 42 HA LYS 7 HA LYS 7 -11.530 1.966 -1.164 43 1HB LYS 7 2HB LYS 7 -13.529 1.773 0.362 44 2HB LYS 7 1HB LYS 7 -14.372 2.905 -0.696 45 1HG LYS 7 2HG LYS 7 -14.381 1.403 -2.507 46 2HG LYS 7 1HG LYS 7 -13.079 0.429 -1.823 47 1HD LYS 7 2HD LYS 7 -14.760 -0.011 0.125 48 2HD LYS 7 1HD LYS 7 -15.981 0.516 -1.034 49 1HE LYS 7 2HE LYS 7 -14.820 -1.174 -2.652 50 2HE LYS 7 1HE LYS 7 -14.156 -1.871 -1.174 51 1HZ LYS 7 1HZ LYS 7 -16.160 -2.996 -1.586 52 2HZ LYS 7 2HZ LYS 7 -17.003 -1.559 -1.922 53 3HZ LYS 7 3HZ LYS 7 -16.509 -1.906 -0.333 54 H LYS 8 H LYS 8 -13.158 5.094 -1.574 55 HA LYS 8 HA LYS 8 -13.554 4.732 -4.430 56 1HB LYS 8 2HB LYS 8 -14.815 6.324 -2.807 57 2HB LYS 8 1HB LYS 8 -13.441 7.406 -3.044 58 1HG LYS 8 2HG LYS 8 -13.832 7.042 -5.571 59 2HG LYS 8 1HG LYS 8 -15.405 6.396 -5.103 60 1HD LYS 8 2HD LYS 8 -14.991 8.825 -3.657 61 2HD LYS 8 1HD LYS 8 -14.632 9.136 -5.356 62 1HE LYS 8 2HE LYS 8 -17.087 9.399 -4.598 63 2HE LYS 8 1HE LYS 8 -16.787 8.452 -6.055 64 1HZ LYS 8 1HZ LYS 8 -17.287 6.512 -5.018 65 2HZ LYS 8 2HZ LYS 8 -18.278 7.549 -4.106 66 3HZ LYS 8 3HZ LYS 8 -16.776 7.048 -3.492 67 H ILE 9 H ILE 9 -10.973 5.911 -2.399 68 HA ILE 9 HA ILE 9 -9.559 7.443 -4.364 69 HB ILE 9 HB ILE 9 -8.359 5.856 -2.077 70 1HG1 ILE 9 2HG1 ILE 9 -10.175 7.214 -1.201 71 2HG1 ILE 9 1HG1 ILE 9 -8.650 8.008 -0.802 72 1HG2 ILE 9 1HG2 ILE 9 -6.913 6.980 -3.917 73 2HG2 ILE 9 2HG2 ILE 9 -6.526 7.334 -2.231 74 3HG2 ILE 9 3HG2 ILE 9 -7.436 8.501 -3.192 75 1HD1 ILE 9 1HD1 ILE 9 -9.175 9.094 -3.254 76 2HD1 ILE 9 2HD1 ILE 9 -9.632 9.843 -1.725 77 3HD1 ILE 9 3HD1 ILE 9 -10.808 8.883 -2.620 78 H PHE 10 H PHE 10 -8.847 4.119 -3.203 79 HA PHE 10 HA PHE 10 -7.010 3.511 -5.303 80 1HB PHE 10 2HB PHE 10 -7.391 2.220 -3.121 81 2HB PHE 10 1HB PHE 10 -8.786 1.489 -3.915 82 HD1 PHE 10 HD1 PHE 10 -5.100 1.800 -3.953 83 HD2 PHE 10 HD2 PHE 10 -8.518 -0.113 -5.721 84 HE1 PHE 10 HE1 PHE 10 -3.610 0.166 -5.076 85 HE2 PHE 10 HE2 PHE 10 -7.014 -1.743 -6.842 86 HZ PHE 10 HZ PHE 10 -4.582 -1.606 -6.521 87 H ILE 11 H ILE 11 -10.523 3.112 -5.033 88 HA ILE 11 HA ILE 11 -10.884 1.628 -7.455 89 HB ILE 11 HB ILE 11 -12.717 3.475 -5.910 90 1HG1 ILE 11 2HG1 ILE 11 -12.633 0.459 -6.267 91 2HG1 ILE 11 1HG1 ILE 11 -12.075 1.331 -4.838 92 1HG2 ILE 11 1HG2 ILE 11 -14.526 2.369 -7.327 93 2HG2 ILE 11 2HG2 ILE 11 -13.233 1.830 -8.400 94 3HG2 ILE 11 3HG2 ILE 11 -13.525 3.554 -8.165 95 1HD1 ILE 11 1HD1 ILE 11 -14.428 2.332 -4.707 96 2HD1 ILE 11 2HD1 ILE 11 -14.293 0.617 -4.319 97 3HD1 ILE 11 3HD1 ILE 11 -14.899 1.119 -5.897 98 H MET 12 H MET 12 -10.220 4.990 -6.847 99 HA MET 12 HA MET 12 -10.651 5.529 -9.761 100 1HB MET 12 2HB MET 12 -12.110 6.729 -7.898 101 2HB MET 12 1HB MET 12 -10.683 7.755 -7.762 102 1HG MET 12 2HG MET 12 -11.958 8.848 -9.407 103 2HG MET 12 1HG MET 12 -10.817 7.896 -10.357 104 1HE MET 12 1HE MET 12 -15.083 8.199 -10.693 105 2HE MET 12 2HE MET 12 -13.919 9.074 -9.702 106 3HE MET 12 3HE MET 12 -14.798 7.710 -9.017 107 H LYS 13 H LYS 13 -8.223 4.767 -7.912 108 HA LYS 13 HA LYS 13 -6.439 6.891 -9.035 109 1HB LYS 13 2HB LYS 13 -6.834 6.806 -6.430 110 2HB LYS 13 1HB LYS 13 -5.715 5.445 -6.505 111 1HG LYS 13 2HG LYS 13 -4.330 7.341 -6.148 112 2HG LYS 13 1HG LYS 13 -4.184 6.995 -7.872 113 1HD LYS 13 2HD LYS 13 -4.606 9.274 -7.946 114 2HD LYS 13 1HD LYS 13 -6.252 8.647 -8.041 115 1HE LYS 13 2HE LYS 13 -6.479 8.892 -5.589 116 2HE LYS 13 1HE LYS 13 -4.844 9.549 -5.510 117 1HZ LYS 13 1HZ LYS 13 -7.220 10.903 -6.071 118 2HZ LYS 13 2HZ LYS 13 -6.273 10.936 -7.480 119 3HZ LYS 13 3HZ LYS 13 -5.647 11.530 -6.017 120 H CYS 14 H CYS 14 -6.516 3.547 -7.762 121 HA CYS 14 HA CYS 14 -4.602 2.829 -9.939 122 1HB CYS 14 2HB CYS 14 -4.255 1.098 -7.641 123 2HB CYS 14 1HB CYS 14 -3.047 2.062 -8.481 124 H SER 15 H SER 15 -7.550 2.604 -9.649 125 HA SER 15 HA SER 15 -8.033 -0.275 -9.265 126 1HB SER 15 2HB SER 15 -9.603 1.821 -8.773 127 2HB SER 15 1HB SER 15 -10.071 1.563 -10.449 128 HG SER 15 HG SER 15 -11.253 -0.002 -9.716 129 H GLN 16 H GLN 16 -6.845 1.609 -11.747 130 HA GLN 16 HA GLN 16 -8.149 0.050 -13.906 131 1HB GLN 16 2HB GLN 16 -6.383 2.492 -13.823 132 2HB GLN 16 1HB GLN 16 -6.583 1.586 -15.324 133 1HG GLN 16 2HG GLN 16 -8.996 2.414 -13.728 134 2HG GLN 16 1HG GLN 16 -8.220 3.561 -14.820 135 1HE2 GLN 16 1HE2 GLN 16 -9.559 3.591 -16.653 136 2HE2 GLN 16 2HE2 GLN 16 -10.067 2.206 -17.493 137 H CYS 17 H CYS 17 -4.928 0.701 -12.537 138 HA CYS 17 HA CYS 17 -3.775 -1.439 -14.218 139 1HB CYS 17 2HB CYS 17 -2.656 0.702 -12.429 140 2HB CYS 17 1HB CYS 17 -1.666 -0.711 -12.800 141 H HIS 18 H HIS 18 -4.310 -0.704 -10.759 142 HA HIS 18 HA HIS 18 -3.623 -3.539 -10.115 143 1HB HIS 18 2HB HIS 18 -4.135 -1.189 -8.273 144 2HB HIS 18 1HB HIS 18 -3.665 -2.807 -7.759 145 HD1 HIS 18 HD1 HIS 18 -1.209 -3.348 -7.782 146 HD2 HIS 18 HD2 HIS 18 -2.086 0.172 -9.806 147 HE1 HIS 18 HE1 HIS 18 1.013 -2.249 -8.296 148 H THR 19 H THR 19 -5.719 -4.301 -11.042 149 HA THR 19 HA THR 19 -8.164 -3.360 -9.745 150 HB THR 19 HB THR 19 -9.168 -5.373 -10.990 151 HG1 THR 19 HG1 THR 19 -7.440 -5.823 -12.766 152 1HG2 THR 19 1HG2 THR 19 -8.773 -4.269 -13.251 153 2HG2 THR 19 2HG2 THR 19 -7.667 -3.173 -12.422 154 3HG2 THR 19 3HG2 THR 19 -9.373 -3.205 -11.979 155 H VAL 20 H VAL 20 -7.969 -3.801 -7.536 156 HA VAL 20 HA VAL 20 -7.140 -6.450 -6.610 157 HB VAL 20 HB VAL 20 -7.317 -5.551 -4.414 158 1HG1 VAL 20 1HG1 VAL 20 -5.455 -4.471 -5.287 159 2HG1 VAL 20 2HG1 VAL 20 -6.440 -3.090 -4.804 160 3HG1 VAL 20 3HG1 VAL 20 -6.401 -3.596 -6.493 161 1HG2 VAL 20 1HG2 VAL 20 -9.189 -4.408 -3.890 162 2HG2 VAL 20 2HG2 VAL 20 -9.531 -4.100 -5.593 163 3HG2 VAL 20 3HG2 VAL 20 -8.483 -3.003 -4.691 164 H GLU 21 H GLU 21 -9.808 -5.729 -8.178 165 HA GLU 21 HA GLU 21 -11.497 -7.473 -6.443 166 1HB GLU 21 2HB GLU 21 -12.175 -4.818 -7.675 167 2HB GLU 21 1HB GLU 21 -13.443 -6.022 -7.445 168 1HG GLU 21 2HG GLU 21 -11.972 -5.997 -5.039 169 2HG GLU 21 1HG GLU 21 -12.199 -4.304 -5.480 170 H LYS 22 H LYS 22 -9.850 -7.639 -9.106 171 HA LYS 22 HA LYS 22 -12.009 -8.381 -10.983 172 1HB LYS 22 2HB LYS 22 -9.756 -7.211 -11.589 173 2HB LYS 22 1HB LYS 22 -9.076 -8.836 -11.484 174 1HG LYS 22 2HG LYS 22 -9.711 -8.947 -13.679 175 2HG LYS 22 1HG LYS 22 -11.280 -9.344 -12.981 176 1HD LYS 22 2HD LYS 22 -12.167 -7.475 -13.856 177 2HD LYS 22 1HD LYS 22 -10.980 -6.492 -12.997 178 1HE LYS 22 2HE LYS 22 -9.840 -6.103 -14.898 179 2HE LYS 22 1HE LYS 22 -9.734 -7.831 -15.237 180 1HZ LYS 22 1HZ LYS 22 -11.531 -5.863 -16.308 181 2HZ LYS 22 2HZ LYS 22 -12.324 -7.261 -15.758 182 3HZ LYS 22 3HZ LYS 22 -11.095 -7.381 -16.924 183 H GLY 23 H GLY 23 -9.814 -9.896 -8.744 184 1HA GLY 23 2HA GLY 23 -10.390 -12.158 -7.949 185 2HA GLY 23 1HA GLY 23 -10.906 -12.543 -9.592 186 H GLY 24 H GLY 24 -7.945 -11.259 -8.023 187 1HA GLY 24 1HA GLY 24 -5.711 -11.947 -8.248 188 2HA GLY 24 2HA GLY 24 -6.328 -13.493 -8.831 189 H LYS 25 H LYS 25 -7.608 -10.928 -10.621 190 HA LYS 25 HA LYS 25 -5.847 -11.629 -12.892 191 1HB LYS 25 2HB LYS 25 -8.432 -11.440 -12.992 192 2HB LYS 25 1HB LYS 25 -8.158 -9.698 -12.998 193 1HG LYS 25 2HG LYS 25 -7.161 -9.718 -15.084 194 2HG LYS 25 1HG LYS 25 -6.568 -11.369 -14.899 195 1HD LYS 25 2HD LYS 25 -8.398 -12.215 -15.902 196 2HD LYS 25 1HD LYS 25 -9.468 -11.307 -14.833 197 1HE LYS 25 2HE LYS 25 -10.011 -10.036 -16.615 198 2HE LYS 25 1HE LYS 25 -8.378 -9.377 -16.545 199 1HZ LYS 25 1HZ LYS 25 -7.664 -11.290 -17.929 200 2HZ LYS 25 2HZ LYS 25 -8.743 -10.239 -18.718 201 3HZ LYS 25 3HZ LYS 25 -9.294 -11.727 -18.107 202 H HIS 26 H HIS 26 -4.258 -10.288 -13.610 203 HA HIS 26 HA HIS 26 -4.326 -7.435 -12.777 204 1HB HIS 26 2HB HIS 26 -1.697 -7.847 -12.584 205 2HB HIS 26 1HB HIS 26 -2.770 -8.087 -11.211 206 HD1 HIS 26 HD1 HIS 26 -2.486 -10.494 -14.123 207 HD2 HIS 26 HD2 HIS 26 -1.392 -10.284 -10.106 208 HE1 HIS 26 HE1 HIS 26 -1.645 -12.794 -13.487 209 H LYS 27 H LYS 27 -4.564 -6.520 -14.785 210 HA LYS 27 HA LYS 27 -3.229 -7.637 -17.119 211 1HB LYS 27 2HB LYS 27 -4.937 -5.180 -16.689 212 2HB LYS 27 1HB LYS 27 -4.227 -5.592 -18.252 213 1HG LYS 27 2HG LYS 27 -5.859 -7.091 -18.643 214 2HG LYS 27 1HG LYS 27 -5.498 -7.923 -17.130 215 1HD LYS 27 2HD LYS 27 -7.275 -6.999 -16.088 216 2HD LYS 27 1HD LYS 27 -6.872 -5.388 -16.681 217 1HE LYS 27 2HE LYS 27 -8.225 -7.520 -18.357 218 2HE LYS 27 1HE LYS 27 -9.083 -6.229 -17.514 219 1HZ LYS 27 1HZ LYS 27 -8.428 -4.711 -19.002 220 2HZ LYS 27 2HZ LYS 27 -8.137 -6.043 -20.016 221 3HZ LYS 27 3HZ LYS 27 -6.861 -5.347 -19.135 222 H THR 28 H THR 28 -3.260 -4.182 -16.302 223 HA THR 28 HA THR 28 -0.418 -4.042 -17.087 224 HB THR 28 HB THR 28 -2.519 -1.954 -16.480 225 HG1 THR 28 HG1 THR 28 -1.859 -1.444 -18.716 226 1HG2 THR 28 1HG2 THR 28 -0.266 -1.250 -15.626 227 2HG2 THR 28 2HG2 THR 28 -0.862 -0.244 -16.945 228 3HG2 THR 28 3HG2 THR 28 0.370 -1.467 -17.257 229 H GLY 29 H GLY 29 -2.396 -3.734 -14.183 230 1HA GLY 29 2HA GLY 29 0.077 -3.056 -12.660 231 2HA GLY 29 1HA GLY 29 -1.552 -2.730 -12.090 232 HA PRO 30 HA PRO 30 0.133 -7.064 -10.835 233 1HB PRO 30 2HB PRO 30 1.252 -6.417 -8.419 234 2HB PRO 30 1HB PRO 30 2.165 -6.538 -9.927 235 1HG PRO 30 2HG PRO 30 1.216 -4.079 -8.494 236 2HG PRO 30 1HG PRO 30 2.702 -4.331 -9.430 237 1HD PRO 30 2HD PRO 30 0.496 -2.998 -10.430 238 2HD PRO 30 1HD PRO 30 1.684 -3.848 -11.437 239 H ASN 31 H ASN 31 -1.446 -8.211 -9.929 240 HA ASN 31 HA ASN 31 -3.802 -7.194 -8.842 241 1HB ASN 31 2HB ASN 31 -3.313 -9.592 -9.545 242 2HB ASN 31 1HB ASN 31 -2.587 -9.817 -7.953 243 1HD2 ASN 31 1HD2 ASN 31 -5.552 -8.031 -8.978 244 2HD2 ASN 31 2HD2 ASN 31 -6.592 -8.862 -7.925 245 H LEU 32 H LEU 32 -3.652 -5.652 -7.237 246 HA LEU 32 HA LEU 32 -1.932 -6.053 -4.915 247 1HB LEU 32 2HB LEU 32 -3.469 -3.861 -6.092 248 2HB LEU 32 1HB LEU 32 -3.623 -3.924 -4.338 249 HG LEU 32 HG LEU 32 -1.337 -3.580 -3.989 250 1HD1 LEU 32 1HD1 LEU 32 0.069 -3.730 -6.352 251 2HD1 LEU 32 2HD1 LEU 32 -1.102 -5.035 -6.533 252 3HD1 LEU 32 3HD1 LEU 32 -0.013 -5.014 -5.146 253 1HD2 LEU 32 1HD2 LEU 32 -0.681 -1.934 -6.016 254 2HD2 LEU 32 2HD2 LEU 32 -1.840 -1.477 -4.767 255 3HD2 LEU 32 3HD2 LEU 32 -2.411 -2.078 -6.324 256 H HIS 33 H HIS 33 -3.347 -8.206 -4.661 257 HA HIS 33 HA HIS 33 -5.784 -7.621 -3.053 258 1HB HIS 33 2HB HIS 33 -6.326 -9.968 -3.317 259 2HB HIS 33 1HB HIS 33 -5.875 -9.338 -4.902 260 HD1 HIS 33 HD1 HIS 33 -5.044 -11.967 -2.519 261 HD2 HIS 33 HD2 HIS 33 -3.023 -9.947 -5.556 262 HE1 HIS 33 HE1 HIS 33 -3.001 -13.358 -3.070 263 H GLY 34 H GLY 34 -3.593 -6.827 -1.689 264 1HA GLY 34 2HA GLY 34 -3.318 -7.393 0.752 265 2HA GLY 34 1HA GLY 34 -3.088 -9.064 0.237 266 H LEU 35 H LEU 35 -1.731 -5.836 -0.496 267 HA LEU 35 HA LEU 35 0.831 -6.964 -1.249 268 1HB LEU 35 2HB LEU 35 0.121 -4.947 -2.348 269 2HB LEU 35 1HB LEU 35 -0.132 -4.132 -0.806 270 HG LEU 35 HG LEU 35 2.543 -5.074 -0.798 271 1HD1 LEU 35 1HD1 LEU 35 2.902 -3.331 -2.945 272 2HD1 LEU 35 2HD1 LEU 35 1.585 -4.384 -3.463 273 3HD1 LEU 35 3HD1 LEU 35 3.131 -5.079 -2.975 274 1HD2 LEU 35 1HD2 LEU 35 2.050 -3.108 0.386 275 2HD2 LEU 35 2HD2 LEU 35 1.140 -2.415 -0.958 276 3HD2 LEU 35 3HD2 LEU 35 2.901 -2.487 -1.030 277 H PHE 36 H PHE 36 -0.576 -5.682 1.685 278 HA PHE 36 HA PHE 36 1.917 -5.144 3.037 279 1HB PHE 36 2HB PHE 36 -0.750 -5.805 4.302 280 2HB PHE 36 1HB PHE 36 0.579 -4.904 5.026 281 HD1 PHE 36 HD1 PHE 36 -2.243 -3.849 4.779 282 HD2 PHE 36 HD2 PHE 36 1.144 -3.559 2.154 283 HE1 PHE 36 HE1 PHE 36 -3.154 -1.747 3.835 284 HE2 PHE 36 HE2 PHE 36 0.231 -1.458 1.209 285 HZ PHE 36 HZ PHE 36 -1.918 -0.549 2.050 286 H GLY 37 H GLY 37 3.314 -6.581 3.902 287 1HA GLY 37 2HA GLY 37 3.875 -8.466 5.286 288 2HA GLY 37 1HA GLY 37 2.279 -9.139 4.974 289 H ARG 38 H ARG 38 3.216 -8.270 1.967 290 HA ARG 38 HA ARG 38 4.639 -10.868 1.547 291 1HB ARG 38 2HB ARG 38 3.499 -10.741 -0.764 292 2HB ARG 38 1HB ARG 38 2.492 -11.185 0.613 293 1HG ARG 38 2HG ARG 38 1.278 -9.271 0.490 294 2HG ARG 38 1HG ARG 38 2.700 -8.285 0.150 295 1HD ARG 38 2HD ARG 38 2.075 -10.092 -2.053 296 2HD ARG 38 1HD ARG 38 0.736 -9.004 -1.693 297 HE ARG 38 HE ARG 38 2.824 -7.265 -1.735 298 1HH1 ARG 38 1HH1 ARG 38 1.478 -9.580 -3.877 299 2HH1 ARG 38 2HH1 ARG 38 2.332 -9.001 -5.267 300 1HH2 ARG 38 1HH2 ARG 38 4.123 -6.615 -3.503 301 2HH2 ARG 38 2HH2 ARG 38 3.829 -7.321 -5.057 302 H LYS 39 H LYS 39 6.507 -10.771 0.362 303 HA LYS 39 HA LYS 39 7.634 -8.184 -0.301 304 1HB LYS 39 2HB LYS 39 9.560 -9.408 -1.045 305 2HB LYS 39 1HB LYS 39 8.935 -10.286 0.350 306 1HG LYS 39 2HG LYS 39 7.696 -11.796 -1.210 307 2HG LYS 39 1HG LYS 39 8.458 -10.966 -2.566 308 1HD LYS 39 2HD LYS 39 10.098 -12.519 -2.353 309 2HD LYS 39 1HD LYS 39 10.622 -11.562 -0.967 310 1HE LYS 39 2HE LYS 39 10.406 -13.660 0.011 311 2HE LYS 39 1HE LYS 39 8.804 -12.987 0.315 312 1HZ LYS 39 1HZ LYS 39 8.000 -14.726 -0.774 313 2HZ LYS 39 2HZ LYS 39 9.543 -15.221 -1.282 314 3HZ LYS 39 3HZ LYS 39 8.667 -14.089 -2.197 315 H THR 40 H THR 40 8.034 -7.368 -2.453 316 HA THR 40 HA THR 40 5.917 -7.732 -4.319 317 HB THR 40 HB THR 40 8.594 -6.799 -5.275 318 HG1 THR 40 HG1 THR 40 7.664 -4.735 -4.178 319 1HG2 THR 40 1HG2 THR 40 7.216 -6.068 -6.896 320 2HG2 THR 40 2HG2 THR 40 6.540 -4.934 -5.725 321 3HG2 THR 40 3HG2 THR 40 5.794 -6.515 -5.953 322 H GLY 41 H GLY 41 6.174 -8.534 -6.588 323 1HA GLY 41 2HA GLY 41 6.773 -10.160 -8.159 324 2HA GLY 41 1HA GLY 41 8.292 -10.339 -7.290 325 H GLN 42 H GLN 42 5.132 -11.676 -7.787 326 HA GLN 42 HA GLN 42 5.944 -14.130 -6.437 327 1HB GLN 42 2HB GLN 42 3.882 -14.138 -4.946 328 2HB GLN 42 1HB GLN 42 5.165 -13.031 -4.461 329 1HG GLN 42 2HG GLN 42 3.442 -11.685 -6.319 330 2HG GLN 42 1HG GLN 42 2.456 -12.402 -5.043 331 1HE2 GLN 42 1HE2 GLN 42 4.835 -9.926 -5.744 332 2HE2 GLN 42 2HE2 GLN 42 4.877 -9.257 -4.185 333 H ALA 43 H ALA 43 3.410 -12.279 -8.088 334 HA ALA 43 HA ALA 43 1.821 -14.609 -8.750 335 1HB ALA 43 1HB ALA 43 0.346 -13.079 -9.520 336 2HB ALA 43 2HB ALA 43 1.548 -12.347 -10.582 337 3HB ALA 43 3HB ALA 43 1.454 -11.860 -8.890 338 HA PRO 44 HA PRO 44 4.434 -15.869 -12.142 339 1HB PRO 44 2HB PRO 44 2.903 -18.042 -12.846 340 2HB PRO 44 1HB PRO 44 4.029 -18.042 -11.476 341 1HG PRO 44 2HG PRO 44 1.053 -17.925 -11.456 342 2HG PRO 44 1HG PRO 44 2.160 -18.514 -10.206 343 1HD PRO 44 2HD PRO 44 0.839 -16.000 -10.222 344 2HD PRO 44 1HD PRO 44 2.157 -16.491 -9.135 345 H GLY 45 H GLY 45 4.289 -15.725 -14.457 346 1HA GLY 45 2HA GLY 45 3.198 -15.390 -16.553 347 2HA GLY 45 1HA GLY 45 1.652 -15.305 -15.708 348 H TYR 46 H TYR 46 3.249 -13.377 -13.814 349 HA TYR 46 HA TYR 46 3.033 -10.960 -15.562 350 1HB TYR 46 2HB TYR 46 1.101 -11.197 -13.981 351 2HB TYR 46 1HB TYR 46 2.235 -11.201 -12.640 352 HD1 TYR 46 HD1 TYR 46 3.939 -8.962 -14.492 353 HD2 TYR 46 HD2 TYR 46 0.067 -9.266 -12.700 354 HE1 TYR 46 HE1 TYR 46 3.819 -6.520 -14.372 355 HE2 TYR 46 HE2 TYR 46 -0.023 -6.803 -12.574 356 HH TYR 46 HH TYR 46 1.989 -4.777 -14.272 357 H SER 47 H SER 47 5.104 -10.251 -15.770 358 HA SER 47 HA SER 47 7.146 -10.777 -13.760 359 1HB SER 47 2HB SER 47 8.375 -8.983 -15.250 360 2HB SER 47 1HB SER 47 8.065 -10.586 -15.910 361 HG SER 47 HG SER 47 6.561 -9.781 -17.190 362 H TYR 48 H TYR 48 5.914 -9.807 -11.951 363 HA TYR 48 HA TYR 48 4.975 -7.203 -11.680 364 1HB TYR 48 2HB TYR 48 6.182 -9.222 -9.888 365 2HB TYR 48 1HB TYR 48 6.188 -7.578 -9.276 366 HD1 TYR 48 HD1 TYR 48 3.625 -9.079 -11.519 367 HD2 TYR 48 HD2 TYR 48 4.613 -7.772 -7.564 368 HE1 TYR 48 HE1 TYR 48 1.263 -9.364 -10.828 369 HE2 TYR 48 HE2 TYR 48 2.245 -8.053 -6.867 370 HH TYR 48 HH TYR 48 0.224 -8.741 -7.479 371 H THR 49 H THR 49 6.298 -5.525 -10.168 372 HA THR 49 HA THR 49 8.425 -4.475 -11.746 373 HB THR 49 HB THR 49 8.900 -3.497 -9.194 374 HG1 THR 49 HG1 THR 49 7.220 -4.479 -8.227 375 1HG2 THR 49 1HG2 THR 49 7.483 -2.677 -11.630 376 2HG2 THR 49 2HG2 THR 49 8.618 -1.771 -10.629 377 3HG2 THR 49 3HG2 THR 49 6.916 -1.856 -10.175 378 H ALA 50 H ALA 50 9.847 -6.258 -12.119 379 HA ALA 50 HA ALA 50 11.009 -7.992 -10.299 380 1HB ALA 50 1HB ALA 50 12.458 -6.596 -12.570 381 2HB ALA 50 2HB ALA 50 11.449 -8.031 -12.745 382 3HB ALA 50 3HB ALA 50 12.942 -8.110 -11.808 383 H ALA 51 H ALA 51 11.960 -4.619 -10.937 384 HA ALA 51 HA ALA 51 14.279 -4.552 -9.333 385 1HB ALA 51 1HB ALA 51 12.183 -2.495 -10.003 386 2HB ALA 51 2HB ALA 51 13.863 -2.576 -10.534 387 3HB ALA 51 3HB ALA 51 13.485 -2.105 -8.879 388 H ASN 52 H ASN 52 11.067 -3.371 -8.242 389 HA ASN 52 HA ASN 52 11.407 -3.151 -5.555 390 1HB ASN 52 2HB ASN 52 9.154 -4.109 -7.219 391 2HB ASN 52 1HB ASN 52 9.047 -4.485 -5.499 392 1HD2 ASN 52 1HD2 ASN 52 9.448 -2.522 -3.994 393 2HD2 ASN 52 2HD2 ASN 52 8.872 -1.015 -4.518 394 H LYS 53 H LYS 53 10.646 -6.333 -7.053 395 HA LYS 53 HA LYS 53 10.819 -7.849 -4.683 396 1HB LYS 53 2HB LYS 53 9.991 -8.883 -6.690 397 2HB LYS 53 1HB LYS 53 11.511 -8.588 -7.536 398 1HG LYS 53 2HG LYS 53 12.542 -10.373 -6.571 399 2HG LYS 53 1HG LYS 53 11.775 -10.093 -5.007 400 1HD LYS 53 2HD LYS 53 9.706 -11.103 -5.777 401 2HD LYS 53 1HD LYS 53 10.343 -11.250 -7.415 402 1HE LYS 53 2HE LYS 53 11.450 -12.639 -4.957 403 2HE LYS 53 1HE LYS 53 10.501 -13.403 -6.232 404 1HZ LYS 53 1HZ LYS 53 13.249 -12.364 -6.333 405 2HZ LYS 53 2HZ LYS 53 12.323 -12.417 -7.756 406 3HZ LYS 53 3HZ LYS 53 12.641 -13.845 -6.891 407 H ASN 54 H ASN 54 13.430 -7.476 -7.105 408 HA ASN 54 HA ASN 54 15.446 -8.683 -5.524 409 1HB ASN 54 2HB ASN 54 15.737 -8.346 -7.916 410 2HB ASN 54 1HB ASN 54 15.676 -6.596 -7.706 411 1HD2 ASN 54 1HD2 ASN 54 17.884 -6.367 -8.546 412 2HD2 ASN 54 2HD2 ASN 54 19.226 -6.825 -7.611 413 H LYS 55 H LYS 55 13.921 -5.645 -5.089 414 HA LYS 55 HA LYS 55 16.219 -4.317 -3.909 415 1HB LYS 55 2HB LYS 55 13.992 -3.332 -4.970 416 2HB LYS 55 1HB LYS 55 13.424 -3.463 -3.307 417 1HG LYS 55 2HG LYS 55 16.116 -2.331 -3.482 418 2HG LYS 55 1HG LYS 55 14.922 -1.365 -4.346 419 1HD LYS 55 2HD LYS 55 13.666 -0.949 -2.421 420 2HD LYS 55 1HD LYS 55 14.299 -2.366 -1.583 421 1HE LYS 55 2HE LYS 55 16.276 -1.307 -0.993 422 2HE LYS 55 1HE LYS 55 16.214 -0.202 -2.367 423 1HZ LYS 55 1HZ LYS 55 14.312 -0.104 -0.093 424 2HZ LYS 55 2HZ LYS 55 14.495 1.040 -1.336 425 3HZ LYS 55 3HZ LYS 55 15.721 0.836 -0.176 426 H GLY 56 H GLY 56 14.611 -6.939 -2.875 427 1HA GLY 56 1HA GLY 56 14.096 -7.845 -0.758 428 2HA GLY 56 2HA GLY 56 15.572 -7.011 -0.276 429 H ILE 57 H ILE 57 12.425 -5.699 -1.330 430 HA ILE 57 HA ILE 57 12.376 -4.124 1.208 431 HB ILE 57 HB ILE 57 12.426 -2.912 -1.030 432 1HG1 ILE 57 2HG1 ILE 57 11.570 -1.894 1.094 433 2HG1 ILE 57 1HG1 ILE 57 10.780 -1.255 -0.348 434 1HG2 ILE 57 1HG2 ILE 57 10.606 -4.739 -1.827 435 2HG2 ILE 57 2HG2 ILE 57 10.743 -3.142 -2.561 436 3HG2 ILE 57 3HG2 ILE 57 9.519 -3.443 -1.329 437 1HD1 ILE 57 1HD1 ILE 57 9.045 -3.184 0.101 438 2HD1 ILE 57 2HD1 ILE 57 8.944 -1.683 1.020 439 3HD1 ILE 57 3HD1 ILE 57 9.685 -3.110 1.742 440 H ILE 58 H ILE 58 11.020 -5.016 2.695 441 HA ILE 58 HA ILE 58 8.831 -6.786 1.895 442 HB ILE 58 HB ILE 58 9.846 -7.333 3.986 443 1HG1 ILE 58 2HG1 ILE 58 8.014 -7.292 5.500 444 2HG1 ILE 58 1HG1 ILE 58 7.422 -5.756 4.868 445 1HG2 ILE 58 1HG2 ILE 58 9.957 -4.413 4.240 446 2HG2 ILE 58 2HG2 ILE 58 11.008 -5.642 4.946 447 3HG2 ILE 58 3HG2 ILE 58 9.489 -5.218 5.738 448 1HD1 ILE 58 1HD1 ILE 58 7.613 -7.928 2.871 449 2HD1 ILE 58 2HD1 ILE 58 6.332 -6.743 3.129 450 3HD1 ILE 58 3HD1 ILE 58 6.415 -8.186 4.139 451 H TRP 59 H TRP 59 7.107 -5.811 0.933 452 HA TRP 59 HA TRP 59 6.379 -3.145 0.978 453 1HB TRP 59 2HB TRP 59 4.809 -5.664 0.610 454 2HB TRP 59 1HB TRP 59 3.946 -4.126 0.699 455 HD1 TRP 59 HD1 TRP 59 4.955 -6.204 -1.890 456 HE1 TRP 59 HE1 TRP 59 5.798 -4.948 -3.980 457 HE3 TRP 59 HE3 TRP 59 5.816 -1.597 0.137 458 HZ2 TRP 59 HZ2 TRP 59 6.722 -2.332 -4.690 459 HZ3 TRP 59 HZ3 TRP 59 6.677 0.254 -1.263 460 HH2 TRP 59 HH2 TRP 59 7.129 -0.108 -3.674 461 H GLY 60 H GLY 60 6.052 -1.857 2.670 462 1HA GLY 60 1HA GLY 60 4.287 -2.829 4.875 463 2HA GLY 60 2HA GLY 60 5.780 -1.960 5.240 464 H GLU 61 H GLU 61 3.709 -0.679 6.253 465 HA GLU 61 HA GLU 61 2.202 0.992 4.474 466 1HB GLU 61 2HB GLU 61 2.992 1.603 7.337 467 2HB GLU 61 1HB GLU 61 1.626 2.279 6.448 468 1HG GLU 61 2HG GLU 61 0.693 -0.030 6.216 469 2HG GLU 61 1HG GLU 61 2.007 -0.626 7.232 470 H ASP 62 H ASP 62 4.961 1.902 6.580 471 HA ASP 62 HA ASP 62 5.375 4.435 5.346 472 1HB ASP 62 2HB ASP 62 7.527 4.445 6.488 473 2HB ASP 62 1HB ASP 62 6.312 3.756 7.565 474 H THR 63 H THR 63 6.822 1.247 4.720 475 HA THR 63 HA THR 63 8.732 2.072 2.792 476 HB THR 63 HB THR 63 7.901 -0.421 1.912 477 HG1 THR 63 HG1 THR 63 7.814 -0.647 4.677 478 1HG2 THR 63 1HG2 THR 63 9.726 -0.127 4.280 479 2HG2 THR 63 2HG2 THR 63 10.181 0.570 2.726 480 3HG2 THR 63 3HG2 THR 63 9.902 -1.166 2.866 481 H LEU 64 H LEU 64 5.272 1.467 2.511 482 HA LEU 64 HA LEU 64 5.294 1.586 -0.407 483 1HB LEU 64 2HB LEU 64 3.456 0.777 1.554 484 2HB LEU 64 1HB LEU 64 2.722 2.189 0.794 485 HG LEU 64 HG LEU 64 3.670 -0.351 -0.548 486 1HD1 LEU 64 1HD1 LEU 64 1.008 1.074 -0.724 487 2HD1 LEU 64 2HD1 LEU 64 1.348 -0.150 0.498 488 3HD1 LEU 64 3HD1 LEU 64 1.386 -0.577 -1.213 489 1HD2 LEU 64 1HD2 LEU 64 3.266 2.407 -1.621 490 2HD2 LEU 64 2HD2 LEU 64 2.665 1.063 -2.593 491 3HD2 LEU 64 3HD2 LEU 64 4.372 1.144 -2.161 492 H MET 65 H MET 65 4.773 3.855 2.242 493 HA MET 65 HA MET 65 3.627 5.977 0.743 494 1HB MET 65 2HB MET 65 3.827 5.882 3.253 495 2HB MET 65 1HB MET 65 5.541 6.261 3.076 496 1HG MET 65 2HG MET 65 4.735 8.407 3.302 497 2HG MET 65 1HG MET 65 4.543 8.232 1.557 498 1HE MET 65 1HE MET 65 1.302 7.437 4.702 499 2HE MET 65 2HE MET 65 2.656 8.511 5.045 500 3HE MET 65 3HE MET 65 2.959 6.819 4.659 501 H GLU 66 H GLU 66 6.998 4.987 1.182 502 HA GLU 66 HA GLU 66 8.077 7.314 -0.156 503 1HB GLU 66 2HB GLU 66 9.210 5.599 1.500 504 2HB GLU 66 1HB GLU 66 9.559 4.718 0.013 505 1HG GLU 66 2HG GLU 66 10.405 7.530 0.740 506 2HG GLU 66 1HG GLU 66 11.441 6.148 0.382 507 H TYR 67 H TYR 67 7.778 3.876 -1.125 508 HA TYR 67 HA TYR 67 8.672 4.184 -3.786 509 1HB TYR 67 2HB TYR 67 8.355 1.972 -2.882 510 2HB TYR 67 1HB TYR 67 6.638 2.272 -2.610 511 HD1 TYR 67 HD1 TYR 67 9.123 2.492 -5.419 512 HD2 TYR 67 HD2 TYR 67 5.158 1.412 -4.182 513 HE1 TYR 67 HE1 TYR 67 8.625 1.697 -7.715 514 HE2 TYR 67 HE2 TYR 67 4.657 0.618 -6.477 515 HH TYR 67 HH TYR 67 6.094 1.424 -9.054 516 H LEU 68 H LEU 68 5.599 5.044 -2.341 517 HA LEU 68 HA LEU 68 4.275 5.345 -4.938 518 1HB LEU 68 2HB LEU 68 3.439 5.229 -2.218 519 2HB LEU 68 1HB LEU 68 2.915 6.784 -2.864 520 HG LEU 68 HG LEU 68 1.879 5.640 -4.789 521 1HD1 LEU 68 1HD1 LEU 68 3.389 3.701 -4.891 522 2HD1 LEU 68 2HD1 LEU 68 1.713 3.166 -4.765 523 3HD1 LEU 68 3HD1 LEU 68 2.763 3.119 -3.349 524 1HD2 LEU 68 1HD2 LEU 68 0.994 5.632 -2.124 525 2HD2 LEU 68 2HD2 LEU 68 0.644 4.010 -2.723 526 3HD2 LEU 68 3HD2 LEU 68 -0.004 5.421 -3.563 527 H GLU 69 H GLU 69 5.763 7.472 -2.520 528 HA GLU 69 HA GLU 69 5.065 9.951 -3.731 529 1HB GLU 69 2HB GLU 69 6.328 9.351 -1.481 530 2HB GLU 69 1HB GLU 69 7.757 9.544 -2.485 531 1HG GLU 69 2HG GLU 69 7.539 11.796 -2.540 532 2HG GLU 69 1HG GLU 69 5.817 11.688 -2.908 533 H ASN 70 H ASN 70 7.265 7.445 -4.547 534 HA ASN 70 HA ASN 70 7.816 8.567 -7.158 535 1HB ASN 70 2HB ASN 70 9.903 8.740 -4.992 536 2HB ASN 70 1HB ASN 70 10.386 8.507 -6.672 537 1HD2 ASN 70 1HD2 ASN 70 8.879 10.109 -8.186 538 2HD2 ASN 70 2HD2 ASN 70 8.903 11.723 -7.662 539 HA PRO 71 HA PRO 71 8.115 4.052 -6.916 540 1HB PRO 71 2HB PRO 71 6.917 3.654 -9.366 541 2HB PRO 71 1HB PRO 71 6.021 3.845 -7.850 542 1HG PRO 71 2HG PRO 71 6.355 5.783 -10.085 543 2HG PRO 71 1HG PRO 71 5.063 5.673 -8.881 544 1HD PRO 71 2HD PRO 71 7.216 7.522 -8.851 545 2HD PRO 71 1HD PRO 71 6.088 7.204 -7.518 546 H LYS 72 H LYS 72 9.034 6.270 -9.506 547 HA LYS 72 HA LYS 72 10.806 4.307 -10.756 548 1HB LYS 72 2HB LYS 72 9.621 6.026 -12.116 549 2HB LYS 72 1HB LYS 72 10.541 7.279 -11.281 550 1HG LYS 72 2HG LYS 72 12.477 5.442 -12.117 551 2HG LYS 72 1HG LYS 72 11.362 5.556 -13.480 552 1HD LYS 72 2HD LYS 72 12.333 8.048 -12.094 553 2HD LYS 72 1HD LYS 72 13.318 7.273 -13.335 554 1HE LYS 72 2HE LYS 72 10.499 8.337 -13.639 555 2HE LYS 72 1HE LYS 72 11.956 8.934 -14.432 556 1HZ LYS 72 1HZ LYS 72 12.091 6.483 -15.260 557 2HZ LYS 72 2HZ LYS 72 11.090 7.603 -16.053 558 3HZ LYS 72 3HZ LYS 72 10.424 6.489 -14.957 559 H LYS 73 H LYS 73 11.024 7.030 -8.538 560 HA LYS 73 HA LYS 73 13.945 7.125 -8.636 561 1HB LYS 73 2HB LYS 73 12.205 8.250 -6.436 562 2HB LYS 73 1HB LYS 73 13.786 8.816 -6.972 563 1HG LYS 73 2HG LYS 73 11.541 8.773 -8.955 564 2HG LYS 73 1HG LYS 73 11.581 10.062 -7.752 565 1HD LYS 73 2HD LYS 73 14.089 9.405 -9.258 566 2HD LYS 73 1HD LYS 73 12.840 10.365 -10.053 567 1HE LYS 73 2HE LYS 73 13.188 12.175 -8.707 568 2HE LYS 73 1HE LYS 73 13.492 11.181 -7.283 569 1HZ LYS 73 1HZ LYS 73 15.404 11.462 -9.533 570 2HZ LYS 73 2HZ LYS 73 15.686 10.727 -8.026 571 3HZ LYS 73 3HZ LYS 73 15.463 12.409 -8.127 572 H TYR 74 H TYR 74 11.476 5.633 -6.601 573 HA TYR 74 HA TYR 74 13.380 4.669 -4.617 574 1HB TYR 74 2HB TYR 74 10.893 5.035 -4.216 575 2HB TYR 74 1HB TYR 74 10.603 3.600 -5.200 576 HD1 TYR 74 HD1 TYR 74 13.139 4.476 -2.569 577 HD2 TYR 74 HD2 TYR 74 10.070 1.764 -3.868 578 HE1 TYR 74 HE1 TYR 74 13.573 3.038 -0.595 579 HE2 TYR 74 HE2 TYR 74 10.506 0.326 -1.894 580 HH TYR 74 HH TYR 74 12.385 -0.116 -0.320 581 H ILE 75 H ILE 75 11.250 2.809 -6.814 582 HA ILE 75 HA ILE 75 13.369 0.762 -7.002 583 HB ILE 75 HB ILE 75 10.560 0.544 -8.057 584 1HG1 ILE 75 2HG1 ILE 75 10.605 1.389 -5.645 585 2HG1 ILE 75 1HG1 ILE 75 9.780 -0.148 -5.895 586 1HG2 ILE 75 1HG2 ILE 75 11.602 -1.399 -8.630 587 2HG2 ILE 75 2HG2 ILE 75 11.236 -1.813 -6.959 588 3HG2 ILE 75 3HG2 ILE 75 12.839 -1.220 -7.384 589 1HD1 ILE 75 1HD1 ILE 75 11.710 -1.386 -5.132 590 2HD1 ILE 75 2HD1 ILE 75 11.356 -0.147 -3.930 591 3HD1 ILE 75 3HD1 ILE 75 12.683 0.082 -5.069 592 HA PRO 76 HA PRO 76 13.980 2.464 -11.122 593 1HB PRO 76 2HB PRO 76 16.309 1.083 -11.584 594 2HB PRO 76 1HB PRO 76 16.236 2.578 -10.637 595 1HG PRO 76 2HG PRO 76 16.603 -0.221 -9.692 596 2HG PRO 76 1HG PRO 76 17.097 1.296 -8.922 597 1HD PRO 76 2HD PRO 76 14.833 -0.280 -8.234 598 2HD PRO 76 1HD PRO 76 15.189 1.361 -7.657 599 H GLY 77 H GLY 77 11.979 0.706 -11.228 600 1HA GLY 77 2HA GLY 77 12.675 -1.033 -13.477 601 2HA GLY 77 1HA GLY 77 12.172 -1.897 -12.025 602 H THR 78 H THR 78 10.126 -0.300 -11.043 603 HA THR 78 HA THR 78 7.901 -1.081 -12.558 604 HB THR 78 HB THR 78 7.894 -0.102 -10.188 605 HG1 THR 78 HG1 THR 78 6.027 -0.532 -11.581 606 1HG2 THR 78 1HG2 THR 78 7.220 2.545 -11.272 607 2HG2 THR 78 2HG2 THR 78 8.924 2.124 -11.446 608 3HG2 THR 78 3HG2 THR 78 8.173 2.125 -9.850 609 H LYS 79 H LYS 79 6.326 0.407 -13.671 610 HA LYS 79 HA LYS 79 7.692 2.564 -15.200 611 1HB LYS 79 2HB LYS 79 6.500 1.745 -17.258 612 2HB LYS 79 1HB LYS 79 7.728 0.624 -16.668 613 1HG LYS 79 2HG LYS 79 5.910 -0.598 -15.425 614 2HG LYS 79 1HG LYS 79 4.735 0.437 -16.238 615 1HD LYS 79 2HD LYS 79 6.697 -1.456 -17.564 616 2HD LYS 79 1HD LYS 79 4.944 -1.636 -17.494 617 1HE LYS 79 2HE LYS 79 4.855 0.672 -18.656 618 2HE LYS 79 1HE LYS 79 6.557 0.400 -19.028 619 1HZ LYS 79 1HZ LYS 79 4.484 -0.488 -20.508 620 2HZ LYS 79 2HZ LYS 79 4.866 -1.861 -19.584 621 3HZ LYS 79 3HZ LYS 79 6.054 -1.129 -20.553 622 H MET 80 H MET 80 5.403 1.954 -13.042 623 HA MET 80 HA MET 80 3.086 3.156 -14.337 624 1HB MET 80 2HB MET 80 2.073 3.133 -12.094 625 2HB MET 80 1HB MET 80 2.836 1.594 -12.457 626 1HG MET 80 2HG MET 80 4.706 2.072 -11.108 627 2HG MET 80 1HG MET 80 4.251 3.748 -10.929 628 1HE MET 80 1HE MET 80 3.254 4.072 -7.919 629 2HE MET 80 2HE MET 80 1.701 4.235 -8.737 630 3HE MET 80 3HE MET 80 3.181 4.708 -9.569 631 H ILE 81 H ILE 81 2.801 5.239 -14.689 632 HA ILE 81 HA ILE 81 4.569 7.214 -13.340 633 HB ILE 81 HB ILE 81 2.663 7.650 -15.661 634 1HG1 ILE 81 2HG1 ILE 81 5.659 7.314 -15.862 635 2HG1 ILE 81 1HG1 ILE 81 4.574 5.928 -15.986 636 1HG2 ILE 81 1HG2 ILE 81 4.358 9.567 -16.025 637 2HG2 ILE 81 2HG2 ILE 81 4.869 9.253 -14.367 638 3HG2 ILE 81 3HG2 ILE 81 3.207 9.743 -14.700 639 1HD1 ILE 81 1HD1 ILE 81 3.319 7.536 -17.709 640 2HD1 ILE 81 2HD1 ILE 81 4.669 6.520 -18.215 641 3HD1 ILE 81 3HD1 ILE 81 4.935 8.226 -17.859 642 H PHE 82 H PHE 82 2.419 5.949 -11.935 643 HA PHE 82 HA PHE 82 0.027 7.462 -11.814 644 1HB PHE 82 2HB PHE 82 -0.088 5.455 -10.654 645 2HB PHE 82 1HB PHE 82 1.516 5.646 -9.958 646 HD1 PHE 82 HD1 PHE 82 -1.806 7.366 -9.943 647 HD2 PHE 82 HD2 PHE 82 1.665 6.197 -7.705 648 HE1 PHE 82 HE1 PHE 82 -2.817 8.319 -7.888 649 HE2 PHE 82 HE2 PHE 82 0.656 7.149 -5.645 650 HZ PHE 82 HZ PHE 82 -1.586 8.206 -5.739 651 H VAL 83 H VAL 83 3.171 7.971 -10.282 652 HA VAL 83 HA VAL 83 2.717 9.794 -8.301 653 HB VAL 83 HB VAL 83 4.754 11.098 -9.401 654 1HG1 VAL 83 1HG1 VAL 83 5.109 9.847 -7.429 655 2HG1 VAL 83 2HG1 VAL 83 6.208 9.113 -8.596 656 3HG1 VAL 83 3HG1 VAL 83 4.677 8.327 -8.212 657 1HG2 VAL 83 1HG2 VAL 83 5.744 10.112 -11.215 658 2HG2 VAL 83 2HG2 VAL 83 4.116 9.504 -11.515 659 3HG2 VAL 83 3HG2 VAL 83 5.301 8.486 -10.697 660 H GLY 84 H GLY 84 0.883 11.083 -8.507 661 1HA GLY 84 2HA GLY 84 1.208 13.489 -10.158 662 2HA GLY 84 1HA GLY 84 -0.178 12.485 -10.586 663 H ILE 85 H ILE 85 0.819 12.492 -7.269 664 HA ILE 85 HA ILE 85 -1.622 14.077 -6.606 665 HB ILE 85 HB ILE 85 -0.205 12.618 -4.448 666 1HG1 ILE 85 2HG1 ILE 85 -1.716 10.575 -5.444 667 2HG1 ILE 85 1HG1 ILE 85 -1.121 11.296 -6.939 668 1HG2 ILE 85 1HG2 ILE 85 -2.368 13.806 -4.162 669 2HG2 ILE 85 2HG2 ILE 85 -2.512 12.083 -3.815 670 3HG2 ILE 85 3HG2 ILE 85 -3.100 12.726 -5.348 671 1HD1 ILE 85 1HD1 ILE 85 0.284 9.503 -5.383 672 2HD1 ILE 85 2HD1 ILE 85 0.942 11.054 -4.862 673 3HD1 ILE 85 3HD1 ILE 85 1.003 10.597 -6.565 674 H LYS 86 H LYS 86 -1.413 15.496 -4.645 675 HA LYS 86 HA LYS 86 1.357 16.432 -4.122 676 1HB LYS 86 2HB LYS 86 -0.695 17.879 -5.646 677 2HB LYS 86 1HB LYS 86 -0.044 18.809 -4.296 678 1HG LYS 86 2HG LYS 86 2.270 17.910 -5.209 679 2HG LYS 86 1HG LYS 86 1.364 17.742 -6.714 680 1HD LYS 86 2HD LYS 86 0.841 20.294 -5.396 681 2HD LYS 86 1HD LYS 86 2.550 20.081 -5.779 682 1HE LYS 86 2HE LYS 86 2.090 19.740 -8.095 683 2HE LYS 86 1HE LYS 86 0.365 19.535 -7.795 684 1HZ LYS 86 1HZ LYS 86 1.021 21.756 -8.679 685 2HZ LYS 86 2HZ LYS 86 1.836 22.044 -7.217 686 3HZ LYS 86 3HZ LYS 86 0.154 21.808 -7.223 687 H LYS 87 H LYS 87 -1.149 15.156 -2.751 688 HA LYS 87 HA LYS 87 -1.088 16.999 -0.399 689 1HB LYS 87 2HB LYS 87 -3.346 16.190 -1.952 690 2HB LYS 87 1HB LYS 87 -3.480 15.437 -0.363 691 1HG LYS 87 2HG LYS 87 -4.346 17.444 0.269 692 2HG LYS 87 1HG LYS 87 -2.659 17.958 0.313 693 1HD LYS 87 2HD LYS 87 -2.889 19.267 -1.524 694 2HD LYS 87 1HD LYS 87 -3.851 18.057 -2.374 695 1HE LYS 87 2HE LYS 87 -5.859 18.745 -1.299 696 2HE LYS 87 1HE LYS 87 -4.980 19.680 -0.090 697 1HZ LYS 87 1HZ LYS 87 -6.006 21.017 -1.904 698 2HZ LYS 87 2HZ LYS 87 -4.917 20.293 -2.990 699 3HZ LYS 87 3HZ LYS 87 -4.337 21.255 -1.716 700 H LYS 88 H LYS 88 -0.223 16.007 1.349 701 HA LYS 88 HA LYS 88 0.499 13.234 1.370 702 1HB LYS 88 2HB LYS 88 0.911 15.522 3.026 703 2HB LYS 88 1HB LYS 88 0.288 14.228 4.049 704 1HG LYS 88 2HG LYS 88 2.031 12.720 3.312 705 2HG LYS 88 1HG LYS 88 2.589 13.885 2.108 706 1HD LYS 88 2HD LYS 88 3.654 15.190 3.662 707 2HD LYS 88 1HD LYS 88 2.463 14.847 4.918 708 1HE LYS 88 2HE LYS 88 3.751 12.389 4.308 709 2HE LYS 88 1HE LYS 88 5.017 13.604 4.493 710 1HZ LYS 88 1HZ LYS 88 3.949 14.269 6.597 711 2HZ LYS 88 2HZ LYS 88 4.518 12.669 6.620 712 3HZ LYS 88 3HZ LYS 88 2.859 12.980 6.433 713 H GLU 89 H GLU 89 -2.258 15.006 2.720 714 HA GLU 89 HA GLU 89 -3.366 12.948 4.309 715 1HB GLU 89 2HB GLU 89 -4.282 15.450 3.116 716 2HB GLU 89 1HB GLU 89 -5.563 14.238 3.182 717 1HG GLU 89 2HG GLU 89 -3.997 14.271 5.638 718 2HG GLU 89 1HG GLU 89 -4.704 15.851 5.298 719 H GLU 90 H GLU 90 -3.682 13.559 0.821 720 HA GLU 90 HA GLU 90 -5.639 11.528 0.325 721 1HB GLU 90 2HB GLU 90 -3.920 13.280 -1.251 722 2HB GLU 90 1HB GLU 90 -4.083 11.684 -1.985 723 1HG GLU 90 2HG GLU 90 -6.663 12.207 -1.188 724 2HG GLU 90 1HG GLU 90 -6.092 13.808 -1.659 725 H ARG 91 H ARG 91 -2.066 11.452 0.040 726 HA ARG 91 HA ARG 91 -1.791 8.781 -0.803 727 1HB ARG 91 2HB ARG 91 -0.088 10.809 0.264 728 2HB ARG 91 1HB ARG 91 0.227 9.321 1.158 729 1HG ARG 91 2HG ARG 91 1.600 8.880 -0.618 730 2HG ARG 91 1HG ARG 91 0.096 8.324 -1.356 731 1HD ARG 91 2HD ARG 91 0.519 9.831 -2.991 732 2HD ARG 91 1HD ARG 91 0.045 11.059 -1.816 733 HE ARG 91 HE ARG 91 2.893 10.185 -1.956 734 1HH1 ARG 91 1HH2 ARG 91 1.756 12.468 -0.245 735 2HH1 ARG 91 2HH2 ARG 91 2.247 13.844 -1.175 736 1HH2 ARG 91 1HH1 ARG 91 2.956 11.999 -4.023 737 2HH2 ARG 91 2HH1 ARG 91 2.928 13.578 -3.312 738 H ALA 92 H ALA 92 -2.095 10.056 2.508 739 HA ALA 92 HA ALA 92 -1.861 7.605 3.898 740 1HB ALA 92 1HB ALA 92 -2.806 8.721 5.751 741 2HB ALA 92 2HB ALA 92 -3.814 9.747 4.730 742 3HB ALA 92 3HB ALA 92 -2.075 10.027 4.818 743 H ASP 93 H ASP 93 -4.717 9.147 2.432 744 HA ASP 93 HA ASP 93 -6.649 7.263 3.308 745 1HB ASP 93 2HB ASP 93 -6.512 8.937 0.787 746 2HB ASP 93 1HB ASP 93 -7.929 7.997 1.254 747 H LEU 94 H LEU 94 -4.406 7.185 0.569 748 HA LEU 94 HA LEU 94 -5.502 4.962 -0.813 749 1HB LEU 94 2HB LEU 94 -2.617 5.844 -0.503 750 2HB LEU 94 1HB LEU 94 -3.160 4.620 -1.650 751 HG LEU 94 HG LEU 94 -4.423 7.356 -1.596 752 1HD1 LEU 94 1HD1 LEU 94 -1.716 6.969 -2.056 753 2HD1 LEU 94 2HD1 LEU 94 -2.671 8.326 -2.653 754 3HD1 LEU 94 3HD1 LEU 94 -2.407 6.915 -3.677 755 1HD2 LEU 94 1HD2 LEU 94 -4.693 6.696 -4.065 756 2HD2 LEU 94 2HD2 LEU 94 -5.642 5.772 -2.899 757 3HD2 LEU 94 3HD2 LEU 94 -4.167 5.085 -3.579 758 H ILE 95 H ILE 95 -3.080 5.067 1.805 759 HA ILE 95 HA ILE 95 -2.742 2.210 1.950 760 HB ILE 95 HB ILE 95 -2.372 4.049 4.308 761 1HG1 ILE 95 2HG1 ILE 95 -1.406 5.370 2.590 762 2HG1 ILE 95 1HG1 ILE 95 -0.049 4.462 3.258 763 1HG2 ILE 95 1HG2 ILE 95 -1.874 1.683 4.632 764 2HG2 ILE 95 2HG2 ILE 95 -0.363 2.591 4.605 765 3HG2 ILE 95 3HG2 ILE 95 -0.863 1.667 3.188 766 1HD1 ILE 95 1HD1 ILE 95 -1.253 4.322 0.582 767 2HD1 ILE 95 2HD1 ILE 95 -1.008 2.744 1.329 768 3HD1 ILE 95 3HD1 ILE 95 0.357 3.840 1.118 769 H ALA 96 H ALA 96 -4.667 4.467 3.922 770 HA ALA 96 HA ALA 96 -5.785 2.741 5.773 771 1HB ALA 96 1HB ALA 96 -7.391 4.827 4.279 772 2HB ALA 96 2HB ALA 96 -6.231 5.219 5.548 773 3HB ALA 96 3HB ALA 96 -7.656 4.249 5.925 774 H TYR 97 H TYR 97 -6.782 3.125 2.375 775 HA TYR 97 HA TYR 97 -9.051 1.374 2.613 776 1HB TYR 97 2HB TYR 97 -8.935 2.948 0.767 777 2HB TYR 97 1HB TYR 97 -7.442 2.206 0.186 778 HD1 TYR 97 HD1 TYR 97 -7.734 0.856 -1.683 779 HD2 TYR 97 HD2 TYR 97 -10.805 0.964 1.317 780 HE1 TYR 97 HE1 TYR 97 -9.046 -0.810 -2.966 781 HE2 TYR 97 HE2 TYR 97 -12.119 -0.701 0.031 782 HH TYR 97 HH TYR 97 -10.801 -2.229 -2.876 783 H LEU 98 H LEU 98 -5.768 0.855 1.280 784 HA LEU 98 HA LEU 98 -6.227 -1.971 0.864 785 1HB LEU 98 2HB LEU 98 -3.920 -0.104 0.664 786 2HB LEU 98 1HB LEU 98 -3.526 -1.801 0.936 787 HG LEU 98 HG LEU 98 -3.607 -1.441 -1.452 788 1HD1 LEU 98 1HD1 LEU 98 -6.304 -2.643 -0.954 789 2HD1 LEU 98 2HD1 LEU 98 -4.886 -3.434 -0.266 790 3HD1 LEU 98 3HD1 LEU 98 -5.008 -3.203 -2.011 791 1HD2 LEU 98 1HD2 LEU 98 -6.480 -0.617 -1.379 792 2HD2 LEU 98 2HD2 LEU 98 -5.229 -0.215 -2.555 793 3HD2 LEU 98 3HD2 LEU 98 -5.266 0.602 -0.993 794 H LYS 99 H LYS 99 -5.859 -0.218 3.679 795 HA LYS 99 HA LYS 99 -4.435 -2.388 5.085 796 1HB LYS 99 2HB LYS 99 -4.041 0.223 5.359 797 2HB LYS 99 1HB LYS 99 -5.384 0.070 6.491 798 1HG LYS 99 2HG LYS 99 -3.644 -2.109 7.001 799 2HG LYS 99 1HG LYS 99 -2.631 -0.671 6.870 800 1HD LYS 99 2HD LYS 99 -4.423 0.443 8.400 801 2HD LYS 99 1HD LYS 99 -4.892 -1.214 8.781 802 1HE LYS 99 2HE LYS 99 -1.998 -0.849 8.872 803 2HE LYS 99 1HE LYS 99 -2.837 0.220 9.997 804 1HZ LYS 99 1HZ LYS 99 -2.236 -2.147 10.749 805 2HZ LYS 99 2HZ LYS 99 -3.569 -2.630 9.812 806 3HZ LYS 99 3HZ LYS 99 -3.783 -1.552 11.108 807 H LYS 100 H LYS 100 -7.605 -1.104 4.600 808 HA LYS 100 HA LYS 100 -8.627 -2.694 6.913 809 1HB LYS 100 2HB LYS 100 -9.441 -0.183 5.626 810 2HB LYS 100 1HB LYS 100 -10.781 -1.296 5.907 811 1HG LYS 100 2HG LYS 100 -10.731 -0.921 8.129 812 2HG LYS 100 1HG LYS 100 -8.992 -1.211 8.196 813 1HD LYS 100 2HD LYS 100 -9.705 1.125 8.879 814 2HD LYS 100 1HD LYS 100 -8.508 1.065 7.584 815 1HE LYS 100 2HE LYS 100 -9.971 1.851 6.011 816 2HE LYS 100 1HE LYS 100 -11.347 1.007 6.721 817 1HZ LYS 100 1HZ LYS 100 -11.304 2.650 8.541 818 2HZ LYS 100 2HZ LYS 100 -11.623 3.350 7.027 819 3HZ LYS 100 3HZ LYS 100 -10.081 3.498 7.726 820 H ALA 101 H ALA 101 -8.516 -2.544 3.472 821 HA ALA 101 HA ALA 101 -10.775 -4.400 3.165 822 1HB ALA 101 1HB ALA 101 -9.419 -4.009 0.699 823 2HB ALA 101 2HB ALA 101 -9.496 -2.442 1.506 824 3HB ALA 101 3HB ALA 101 -10.979 -3.344 1.189 825 H THR 102 H THR 102 -7.252 -4.326 2.826 826 HA THR 102 HA THR 102 -7.328 -7.306 2.605 827 HB THR 102 HB THR 102 -5.000 -6.599 1.306 828 HG1 THR 102 HG1 THR 102 -5.544 -4.455 1.175 829 1HG2 THR 102 1HG2 THR 102 -6.444 -7.051 -0.794 830 2HG2 THR 102 2HG2 THR 102 -7.774 -7.274 0.342 831 3HG2 THR 102 3HG2 THR 102 -6.356 -8.318 0.430 832 H ASN 103 H ASN 103 -7.065 -6.058 5.052 833 HA ASN 103 HA ASN 103 -4.556 -7.097 5.975 834 1HB ASN 103 2HB ASN 103 -3.935 -4.847 4.858 835 2HB ASN 103 1HB ASN 103 -4.744 -4.098 6.234 836 1HD2 ASN 103 1HD2 ASN 103 -2.118 -6.423 5.441 837 2HD2 ASN 103 2HD2 ASN 103 -1.221 -6.122 6.851 838 H GLU 104 HN GLU 104 -7.350 -5.013 6.566 839 HA GLU 104 HA GLU 104 -7.389 -6.069 9.363 840 1HB GLU 104 2HB GLU 104 -7.624 -3.263 8.378 841 2HB GLU 104 1HB GLU 104 -8.688 -3.741 9.700 842 1HG GLU 104 2HG GLU 104 -6.212 -4.811 10.411 843 2HG GLU 104 1HG GLU 104 -5.817 -3.229 9.735 844 HHA HEC 105 HHA HEC 105 4.386 -2.521 -9.133 845 HHB HEC 105 HHB HEC 105 1.289 0.996 -4.908 846 HHC HEC 105 HHC HEC 105 -2.026 3.694 -9.575 847 HHD HEC 105 HHD HEC 105 1.083 0.180 -13.804 848 1HMA HEC 105 1HMA HEC 105 3.864 -1.701 -4.083 849 2HMA HEC 105 2HMA HEC 105 2.242 -1.040 -3.881 850 3HMA HEC 105 3HMA HEC 105 3.626 0.045 -4.004 851 1HAA HEC 105 1HAA HEC 105 4.841 -2.756 -5.423 852 2HAA HEC 105 2HAA HEC 105 5.613 -2.414 -6.959 853 1HBA HEC 105 1HBA HEC 105 5.038 -4.718 -7.061 854 2HBA HEC 105 2HBA HEC 105 3.799 -3.898 -8.007 855 1HMB HEC 105 1HMB HEC 105 -1.607 2.388 -4.248 856 2HMB HEC 105 2HMB HEC 105 -0.735 3.913 -4.405 857 3HMB HEC 105 3HMB HEC 105 0.146 2.424 -4.066 858 HAB HEC 105 HAB HEC 105 -2.589 4.649 -7.807 859 1HBB HEC 105 1HBB HEC 105 -2.535 4.871 -4.884 860 2HBB HEC 105 2HBB HEC 105 -2.658 6.110 -6.131 861 3HBB HEC 105 3HBB HEC 105 -1.093 5.389 -5.754 862 1HMC HEC 105 1HMC HEC 105 -2.126 4.361 -13.093 863 2HMC HEC 105 2HMC HEC 105 -3.322 3.175 -12.570 864 3HMC HEC 105 3HMC HEC 105 -2.625 4.299 -11.403 865 HAC HEC 105 HAC HEC 105 -0.014 1.586 -14.862 866 1HBC HEC 105 1HBC HEC 105 -0.795 4.056 -14.386 867 2HBC HEC 105 2HBC HEC 105 -2.310 3.403 -15.010 868 3HBC HEC 105 3HBC HEC 105 -0.843 3.314 -15.985 869 1HMD HEC 105 1HMD HEC 105 4.113 -1.848 -14.340 870 2HMD HEC 105 2HMD HEC 105 2.478 -2.505 -14.407 871 3HMD HEC 105 3HMD HEC 105 2.748 -0.780 -14.659 872 1HAD HEC 105 1HAD HEC 105 5.593 -2.577 -12.128 873 2HAD HEC 105 2HAD HEC 105 4.838 -3.507 -10.845 874 1HBD HEC 105 1HBD HEC 105 3.413 -3.825 -13.353 875 2HBD HEC 105 2HBD HEC 105 4.109 -5.055 -12.300 Start of MODEL 12 1 1H GLY 1 1HT GLY 1 -9.915 8.457 8.876 2 2H GLY 1 2HT GLY 1 -9.174 9.929 8.466 3 3H GLY 1 3HT GLY 1 -8.633 8.478 7.766 4 1HA GLY 1 1HA GLY 1 -10.760 10.206 6.961 5 2HA GLY 1 2HA GLY 1 -9.961 8.919 6.058 6 H ASP 2 H ASP 2 -11.574 7.590 5.351 7 HA ASP 2 HA ASP 2 -13.356 6.392 7.404 8 1HB ASP 2 2HB ASP 2 -14.203 8.000 5.023 9 2HB ASP 2 1HB ASP 2 -15.182 6.608 5.486 10 H VAL 3 H VAL 3 -14.597 4.481 6.326 11 HA VAL 3 HA VAL 3 -12.618 2.993 4.687 12 HB VAL 3 HB VAL 3 -13.547 1.957 6.771 13 1HG1 VAL 3 1HG1 VAL 3 -16.130 1.726 5.217 14 2HG1 VAL 3 2HG1 VAL 3 -15.849 3.014 6.388 15 3HG1 VAL 3 3HG1 VAL 3 -15.844 1.330 6.911 16 1HG2 VAL 3 1HG2 VAL 3 -14.286 0.594 4.161 17 2HG2 VAL 3 2HG2 VAL 3 -14.098 -0.219 5.714 18 3HG2 VAL 3 3HG2 VAL 3 -12.706 0.540 4.944 19 H GLU 4 H GLU 4 -16.098 3.806 4.687 20 HA GLU 4 HA GLU 4 -16.656 2.620 2.138 21 1HB GLU 4 2HB GLU 4 -18.025 4.386 4.038 22 2HB GLU 4 1HB GLU 4 -18.434 4.729 2.357 23 1HG GLU 4 2HG GLU 4 -18.886 2.282 2.029 24 2HG GLU 4 1HG GLU 4 -18.641 2.052 3.761 25 H LYS 5 H LYS 5 -15.035 5.531 3.037 26 HA LYS 5 HA LYS 5 -15.412 6.750 0.368 27 1HB LYS 5 2HB LYS 5 -14.201 7.627 2.969 28 2HB LYS 5 1HB LYS 5 -13.712 8.439 1.480 29 1HG LYS 5 2HG LYS 5 -15.760 9.411 1.176 30 2HG LYS 5 1HG LYS 5 -16.630 8.021 1.828 31 1HD LYS 5 2HD LYS 5 -16.133 8.667 4.091 32 2HD LYS 5 1HD LYS 5 -15.006 9.910 3.548 33 1HE LYS 5 2HE LYS 5 -17.334 10.575 2.210 34 2HE LYS 5 1HE LYS 5 -17.928 10.017 3.774 35 1HZ LYS 5 1HZ LYS 5 -15.660 11.604 4.195 36 2HZ LYS 5 2HZ LYS 5 -17.263 11.910 4.669 37 3HZ LYS 5 3HZ LYS 5 -16.702 12.452 3.160 38 H GLY 6 H GLY 6 -12.952 5.097 2.278 39 1HA GLY 6 1HA GLY 6 -10.764 5.630 0.473 40 2HA GLY 6 2HA GLY 6 -10.798 4.357 1.694 41 H LYS 7 H LYS 7 -13.449 3.453 0.405 42 HA LYS 7 HA LYS 7 -12.280 1.448 -1.319 43 1HB LYS 7 2HB LYS 7 -14.302 0.970 -0.021 44 2HB LYS 7 1HB LYS 7 -15.176 2.240 -0.878 45 1HG LYS 7 2HG LYS 7 -15.173 1.043 -2.909 46 2HG LYS 7 1HG LYS 7 -13.865 -0.018 -2.385 47 1HD LYS 7 2HD LYS 7 -16.022 -1.207 -2.328 48 2HD LYS 7 1HD LYS 7 -15.368 -1.028 -0.700 49 1HE LYS 7 2HE LYS 7 -16.951 0.554 -0.088 50 2HE LYS 7 1HE LYS 7 -17.195 1.100 -1.747 51 1HZ LYS 7 1HZ LYS 7 -19.002 -0.176 -1.714 52 2HZ LYS 7 2HZ LYS 7 -18.527 -0.981 -0.295 53 3HZ LYS 7 3HZ LYS 7 -17.955 -1.507 -1.806 54 H LYS 8 H LYS 8 -13.917 4.525 -1.856 55 HA LYS 8 HA LYS 8 -14.023 4.101 -4.765 56 1HB LYS 8 2HB LYS 8 -14.971 6.177 -2.849 57 2HB LYS 8 1HB LYS 8 -14.610 6.717 -4.489 58 1HG LYS 8 2HG LYS 8 -16.306 5.468 -5.425 59 2HG LYS 8 1HG LYS 8 -16.207 4.213 -4.189 60 1HD LYS 8 2HD LYS 8 -17.458 5.464 -2.640 61 2HD LYS 8 1HD LYS 8 -17.152 6.983 -3.481 62 1HE LYS 8 2HE LYS 8 -19.276 6.624 -4.264 63 2HE LYS 8 1HE LYS 8 -18.419 5.642 -5.450 64 1HZ LYS 8 1HZ LYS 8 -18.835 3.693 -4.185 65 2HZ LYS 8 2HZ LYS 8 -20.317 4.509 -4.347 66 3HZ LYS 8 3HZ LYS 8 -19.458 4.583 -2.883 67 H ILE 9 H ILE 9 -12.024 5.762 -2.392 68 HA ILE 9 HA ILE 9 -10.561 7.454 -4.138 69 HB ILE 9 HB ILE 9 -9.667 5.996 -1.633 70 1HG1 ILE 9 2HG1 ILE 9 -11.562 7.641 -1.438 71 2HG1 ILE 9 1HG1 ILE 9 -10.122 8.116 -0.534 72 1HG2 ILE 9 1HG2 ILE 9 -7.740 6.650 -3.030 73 2HG2 ILE 9 2HG2 ILE 9 -7.833 7.651 -1.580 74 3HG2 ILE 9 3HG2 ILE 9 -8.371 8.294 -3.133 75 1HD1 ILE 9 1HD1 ILE 9 -10.852 10.075 -1.708 76 2HD1 ILE 9 2HD1 ILE 9 -11.056 9.175 -3.211 77 3HD1 ILE 9 3HD1 ILE 9 -9.439 9.476 -2.576 78 H PHE 10 H PHE 10 -9.652 4.172 -2.995 79 HA PHE 10 HA PHE 10 -7.495 3.916 -4.888 80 1HB PHE 10 2HB PHE 10 -7.678 2.542 -2.813 81 2HB PHE 10 1HB PHE 10 -9.071 1.717 -3.514 82 HD1 PHE 10 HD1 PHE 10 -8.750 0.548 -5.791 83 HD2 PHE 10 HD2 PHE 10 -5.489 1.817 -3.301 84 HE1 PHE 10 HE1 PHE 10 -7.229 -0.997 -6.996 85 HE2 PHE 10 HE2 PHE 10 -3.968 0.272 -4.504 86 HZ PHE 10 HZ PHE 10 -4.838 -1.134 -6.354 87 H ILE 11 H ILE 11 -10.896 2.865 -4.898 88 HA ILE 11 HA ILE 11 -10.863 1.374 -7.300 89 HB ILE 11 HB ILE 11 -12.993 3.051 -5.966 90 1HG1 ILE 11 2HG1 ILE 11 -12.207 0.815 -5.035 91 2HG1 ILE 11 1HG1 ILE 11 -13.933 0.915 -5.389 92 1HG2 ILE 11 1HG2 ILE 11 -13.589 3.204 -8.278 93 2HG2 ILE 11 2HG2 ILE 11 -14.573 1.901 -7.612 94 3HG2 ILE 11 3HG2 ILE 11 -13.145 1.524 -8.575 95 1HD1 ILE 11 1HD1 ILE 11 -11.807 -0.328 -7.157 96 2HD1 ILE 11 2HD1 ILE 11 -13.503 -0.144 -7.605 97 3HD1 ILE 11 3HD1 ILE 11 -13.056 -1.190 -6.257 98 H MET 12 H MET 12 -10.436 4.758 -6.780 99 HA MET 12 HA MET 12 -10.746 5.220 -9.723 100 1HB MET 12 2HB MET 12 -12.384 6.509 -8.451 101 2HB MET 12 1HB MET 12 -11.106 7.171 -7.430 102 1HG MET 12 2HG MET 12 -10.139 8.369 -9.265 103 2HG MET 12 1HG MET 12 -11.151 7.521 -10.435 104 1HE MET 12 1HE MET 12 -12.812 8.186 -11.379 105 2HE MET 12 2HE MET 12 -12.462 9.907 -11.534 106 3HE MET 12 3HE MET 12 -14.046 9.384 -10.966 107 H LYS 13 H LYS 13 -8.484 4.972 -7.242 108 HA LYS 13 HA LYS 13 -6.648 6.953 -8.493 109 1HB LYS 13 2HB LYS 13 -7.068 6.378 -5.857 110 2HB LYS 13 1HB LYS 13 -5.683 5.343 -6.206 111 1HG LYS 13 2HG LYS 13 -4.554 7.284 -5.701 112 2HG LYS 13 1HG LYS 13 -4.818 7.564 -7.422 113 1HD LYS 13 2HD LYS 13 -7.138 8.399 -5.913 114 2HD LYS 13 1HD LYS 13 -5.690 9.185 -5.284 115 1HE LYS 13 2HE LYS 13 -5.099 9.957 -7.532 116 2HE LYS 13 1HE LYS 13 -6.495 9.118 -8.207 117 1HZ LYS 13 1HZ LYS 13 -6.373 11.588 -6.679 118 2HZ LYS 13 2HZ LYS 13 -7.678 10.558 -6.332 119 3HZ LYS 13 3HZ LYS 13 -7.439 11.128 -7.914 120 H CYS 14 H CYS 14 -6.360 3.596 -7.269 121 HA CYS 14 HA CYS 14 -4.680 3.021 -9.674 122 1HB CYS 14 2HB CYS 14 -4.007 1.290 -7.448 123 2HB CYS 14 1HB CYS 14 -2.949 2.339 -8.384 124 H SER 15 H SER 15 -7.451 2.585 -9.561 125 HA SER 15 HA SER 15 -7.797 -0.300 -8.971 126 1HB SER 15 2HB SER 15 -9.468 1.690 -8.455 127 2HB SER 15 1HB SER 15 -9.958 1.423 -10.124 128 HG SER 15 HG SER 15 -9.645 -0.825 -8.514 129 H GLN 16 H GLN 16 -6.709 1.509 -11.520 130 HA GLN 16 HA GLN 16 -8.001 -0.204 -13.585 131 1HB GLN 16 2HB GLN 16 -6.805 2.491 -13.549 132 2HB GLN 16 1HB GLN 16 -6.336 1.518 -14.943 133 1HG GLN 16 2HG GLN 16 -8.840 0.965 -15.181 134 2HG GLN 16 1HG GLN 16 -9.116 2.303 -14.066 135 1HE2 GLN 16 1HE2 GLN 16 -10.172 2.673 -16.573 136 2HE2 GLN 16 2HE2 GLN 16 -9.236 3.765 -17.474 137 H CYS 17 H CYS 17 -4.890 0.622 -12.148 138 HA CYS 17 HA CYS 17 -3.569 -1.420 -13.860 139 1HB CYS 17 2HB CYS 17 -2.595 0.888 -12.204 140 2HB CYS 17 1HB CYS 17 -1.503 -0.459 -12.520 141 H HIS 18 H HIS 18 -4.751 -0.856 -10.644 142 HA HIS 18 HA HIS 18 -3.561 -3.475 -9.807 143 1HB HIS 18 2HB HIS 18 -4.060 -1.022 -8.101 144 2HB HIS 18 1HB HIS 18 -3.609 -2.601 -7.464 145 HD1 HIS 18 HD1 HIS 18 -1.161 -3.289 -7.633 146 HD2 HIS 18 HD2 HIS 18 -1.988 0.264 -9.633 147 HE1 HIS 18 HE1 HIS 18 1.078 -2.246 -8.193 148 H THR 19 H THR 19 -5.649 -4.372 -10.638 149 HA THR 19 HA THR 19 -8.110 -3.563 -9.272 150 HB THR 19 HB THR 19 -8.842 -5.864 -10.398 151 HG1 THR 19 HG1 THR 19 -6.895 -6.601 -11.052 152 1HG2 THR 19 1HG2 THR 19 -9.468 -4.624 -12.342 153 2HG2 THR 19 2HG2 THR 19 -8.113 -3.510 -12.150 154 3HG2 THR 19 3HG2 THR 19 -9.459 -3.468 -11.011 155 H VAL 20 H VAL 20 -7.613 -3.888 -7.057 156 HA VAL 20 HA VAL 20 -6.635 -6.464 -6.106 157 HB VAL 20 HB VAL 20 -6.645 -5.481 -3.952 158 1HG1 VAL 20 1HG1 VAL 20 -6.302 -2.846 -5.001 159 2HG1 VAL 20 2HG1 VAL 20 -5.688 -3.994 -6.190 160 3HG1 VAL 20 3HG1 VAL 20 -5.057 -4.009 -4.544 161 1HG2 VAL 20 1HG2 VAL 20 -8.638 -4.553 -3.359 162 2HG2 VAL 20 2HG2 VAL 20 -9.011 -4.086 -5.018 163 3HG2 VAL 20 3HG2 VAL 20 -7.972 -3.063 -4.026 164 H GLU 21 H GLU 21 -9.517 -5.815 -7.406 165 HA GLU 21 HA GLU 21 -10.821 -7.992 -5.981 166 1HB GLU 21 2HB GLU 21 -12.719 -6.702 -5.119 167 2HB GLU 21 1HB GLU 21 -11.216 -6.105 -4.414 168 1HG GLU 21 2HG GLU 21 -11.151 -4.262 -6.013 169 2HG GLU 21 1HG GLU 21 -12.587 -4.883 -6.826 170 H LYS 22 H LYS 22 -10.118 -6.942 -8.760 171 HA LYS 22 HA LYS 22 -12.842 -6.833 -9.944 172 1HB LYS 22 2HB LYS 22 -10.730 -5.281 -10.496 173 2HB LYS 22 1HB LYS 22 -10.376 -6.604 -11.605 174 1HG LYS 22 2HG LYS 22 -12.990 -5.069 -11.469 175 2HG LYS 22 1HG LYS 22 -11.751 -4.868 -12.706 176 1HD LYS 22 2HD LYS 22 -12.035 -7.221 -13.384 177 2HD LYS 22 1HD LYS 22 -13.267 -7.434 -12.140 178 1HE LYS 22 2HE LYS 22 -14.425 -7.021 -14.209 179 2HE LYS 22 1HE LYS 22 -14.562 -5.552 -13.243 180 1HZ LYS 22 1HZ LYS 22 -13.946 -5.020 -15.499 181 2HZ LYS 22 2HZ LYS 22 -12.595 -6.048 -15.413 182 3HZ LYS 22 3HZ LYS 22 -12.662 -4.646 -14.455 183 H GLY 23 H GLY 23 -11.876 -9.314 -8.830 184 1HA GLY 23 2HA GLY 23 -12.472 -11.487 -9.849 185 2HA GLY 23 1HA GLY 23 -11.720 -10.926 -11.342 186 H GLY 24 H GLY 24 -9.424 -9.738 -9.887 187 1HA GLY 24 1HA GLY 24 -7.553 -10.542 -8.536 188 2HA GLY 24 2HA GLY 24 -8.109 -12.192 -8.819 189 H LYS 25 H LYS 25 -8.349 -10.363 -11.642 190 HA LYS 25 HA LYS 25 -5.933 -11.702 -12.729 191 1HB LYS 25 2HB LYS 25 -8.109 -11.924 -13.936 192 2HB LYS 25 1HB LYS 25 -8.120 -10.177 -14.180 193 1HG LYS 25 2HG LYS 25 -5.661 -10.704 -15.125 194 2HG LYS 25 1HG LYS 25 -6.420 -12.259 -15.468 195 1HD LYS 25 2HD LYS 25 -8.285 -11.031 -16.610 196 2HD LYS 25 1HD LYS 25 -7.380 -9.534 -16.383 197 1HE LYS 25 2HE LYS 25 -6.372 -11.971 -17.881 198 2HE LYS 25 1HE LYS 25 -6.989 -10.500 -18.632 199 1HZ LYS 25 1HZ LYS 25 -5.122 -9.630 -16.832 200 2HZ LYS 25 2HZ LYS 25 -4.921 -9.742 -18.516 201 3HZ LYS 25 3HZ LYS 25 -4.416 -11.015 -17.509 202 H HIS 26 H HIS 26 -4.080 -10.521 -12.752 203 HA HIS 26 HA HIS 26 -4.252 -7.577 -12.595 204 1HB HIS 26 2HB HIS 26 -1.671 -7.854 -12.490 205 2HB HIS 26 1HB HIS 26 -2.626 -8.398 -11.114 206 HD1 HIS 26 HD1 HIS 26 -2.501 -10.416 -14.284 207 HD2 HIS 26 HD2 HIS 26 -0.791 -10.482 -10.483 208 HE1 HIS 26 HE1 HIS 26 -1.382 -12.673 -14.043 209 H LYS 27 H LYS 27 -2.550 -6.377 -13.990 210 HA LYS 27 HA LYS 27 -1.952 -7.545 -16.583 211 1HB LYS 27 2HB LYS 27 -4.260 -6.990 -17.025 212 2HB LYS 27 1HB LYS 27 -4.065 -5.394 -16.299 213 1HG LYS 27 2HG LYS 27 -2.971 -4.540 -18.131 214 2HG LYS 27 1HG LYS 27 -2.228 -6.087 -18.540 215 1HD LYS 27 2HD LYS 27 -4.755 -6.776 -19.012 216 2HD LYS 27 1HD LYS 27 -4.938 -5.039 -19.251 217 1HE LYS 27 2HE LYS 27 -3.778 -5.071 -21.200 218 2HE LYS 27 1HE LYS 27 -2.553 -6.161 -20.553 219 1HZ LYS 27 1HZ LYS 27 -4.460 -7.887 -20.702 220 2HZ LYS 27 2HZ LYS 27 -3.586 -7.478 -22.099 221 3HZ LYS 27 3HZ LYS 27 -5.122 -6.803 -21.827 222 H THR 28 H THR 28 -2.635 -4.125 -16.176 223 HA THR 28 HA THR 28 0.060 -3.379 -16.844 224 HB THR 28 HB THR 28 -1.937 -1.636 -15.382 225 HG1 THR 28 HG1 THR 28 -1.728 -2.085 -18.171 226 1HG2 THR 28 1HG2 THR 28 -0.793 0.015 -17.072 227 2HG2 THR 28 2HG2 THR 28 0.474 -1.211 -17.118 228 3HG2 THR 28 3HG2 THR 28 0.052 -0.437 -15.591 229 H GLY 29 H GLY 29 -1.711 -2.979 -13.757 230 1HA GLY 29 2HA GLY 29 0.891 -2.861 -12.339 231 2HA GLY 29 1HA GLY 29 -0.667 -2.439 -11.649 232 HA PRO 30 HA PRO 30 0.545 -7.021 -10.961 233 1HB PRO 30 2HB PRO 30 1.729 -6.831 -8.496 234 2HB PRO 30 1HB PRO 30 2.619 -6.822 -10.019 235 1HG PRO 30 2HG PRO 30 1.936 -4.514 -8.239 236 2HG PRO 30 1HG PRO 30 3.374 -4.771 -9.243 237 1HD PRO 30 2HD PRO 30 1.268 -3.110 -9.963 238 2HD PRO 30 1HD PRO 30 2.385 -3.871 -11.115 239 H ASN 31 H ASN 31 -1.040 -8.196 -10.049 240 HA ASN 31 HA ASN 31 -3.326 -7.133 -8.883 241 1HB ASN 31 2HB ASN 31 -3.022 -9.515 -9.648 242 2HB ASN 31 1HB ASN 31 -2.167 -9.831 -8.138 243 1HD2 ASN 31 1HD2 ASN 31 -5.065 -7.763 -8.635 244 2HD2 ASN 31 2HD2 ASN 31 -6.068 -8.659 -7.600 245 H LEU 32 H LEU 32 -3.110 -5.650 -7.243 246 HA LEU 32 HA LEU 32 -1.333 -6.108 -4.979 247 1HB LEU 32 2HB LEU 32 -2.865 -3.904 -6.089 248 2HB LEU 32 1HB LEU 32 -3.097 -4.019 -4.346 249 HG LEU 32 HG LEU 32 -0.800 -3.732 -3.897 250 1HD1 LEU 32 1HD1 LEU 32 -0.510 -4.981 -6.527 251 2HD1 LEU 32 2HD1 LEU 32 0.603 -4.979 -5.159 252 3HD1 LEU 32 3HD1 LEU 32 0.597 -3.629 -6.293 253 1HD2 LEU 32 1HD2 LEU 32 -1.956 -2.008 -5.995 254 2HD2 LEU 32 2HD2 LEU 32 -0.199 -1.919 -5.865 255 3HD2 LEU 32 3HD2 LEU 32 -1.207 -1.564 -4.461 256 H HIS 33 H HIS 33 -3.262 -8.199 -5.227 257 HA HIS 33 HA HIS 33 -5.342 -7.636 -3.209 258 1HB HIS 33 2HB HIS 33 -5.486 -9.124 -5.424 259 2HB HIS 33 1HB HIS 33 -4.895 -10.373 -4.327 260 HD1 HIS 33 HD1 HIS 33 -7.874 -10.103 -5.571 261 HD2 HIS 33 HD2 HIS 33 -6.698 -9.177 -1.680 262 HE1 HIS 33 HE1 HIS 33 -9.963 -10.230 -4.141 263 H GLY 34 H GLY 34 -3.458 -7.290 -1.609 264 1HA GLY 34 2HA GLY 34 -3.094 -8.521 0.549 265 2HA GLY 34 1HA GLY 34 -2.700 -9.934 -0.429 266 H LEU 35 H LEU 35 -1.594 -6.886 -1.609 267 HA LEU 35 HA LEU 35 1.120 -7.619 -1.730 268 1HB LEU 35 2HB LEU 35 -0.005 -5.647 -2.879 269 2HB LEU 35 1HB LEU 35 0.151 -4.779 -1.350 270 HG LEU 35 HG LEU 35 2.636 -5.355 -1.429 271 1HD1 LEU 35 1HD1 LEU 35 1.837 -6.080 -4.264 272 2HD1 LEU 35 2HD1 LEU 35 2.554 -7.154 -3.063 273 3HD1 LEU 35 3HD1 LEU 35 3.501 -5.827 -3.736 274 1HD2 LEU 35 1HD2 LEU 35 1.180 -3.485 -3.256 275 2HD2 LEU 35 2HD2 LEU 35 2.923 -3.653 -3.465 276 3HD2 LEU 35 3HD2 LEU 35 2.267 -3.121 -1.916 277 H PHE 36 H PHE 36 -0.722 -6.248 0.925 278 HA PHE 36 HA PHE 36 1.548 -5.469 2.530 279 1HB PHE 36 2HB PHE 36 -1.351 -6.046 3.150 280 2HB PHE 36 1HB PHE 36 -0.197 -5.643 4.420 281 HD1 PHE 36 HD1 PHE 36 -0.029 -3.404 5.013 282 HD2 PHE 36 HD2 PHE 36 -1.144 -4.422 0.992 283 HE1 PHE 36 HE1 PHE 36 -0.273 -0.996 4.471 284 HE2 PHE 36 HE2 PHE 36 -1.387 -2.015 0.449 285 HZ PHE 36 HZ PHE 36 -0.953 -0.302 2.189 286 H GLY 37 H GLY 37 2.778 -6.697 3.918 287 1HA GLY 37 2HA GLY 37 3.440 -8.559 5.211 288 2HA GLY 37 1HA GLY 37 1.857 -9.277 4.913 289 H ARG 38 H ARG 38 3.409 -8.235 2.056 290 HA ARG 38 HA ARG 38 4.863 -10.756 1.619 291 1HB ARG 38 2HB ARG 38 2.668 -11.540 1.054 292 2HB ARG 38 1HB ARG 38 2.309 -10.071 0.145 293 1HG ARG 38 2HG ARG 38 4.129 -10.651 -1.454 294 2HG ARG 38 1HG ARG 38 4.387 -12.159 -0.576 295 1HD ARG 38 2HD ARG 38 2.946 -12.805 -2.318 296 2HD ARG 38 1HD ARG 38 1.844 -12.556 -0.964 297 HE ARG 38 HE ARG 38 0.850 -10.870 -2.258 298 1HH1 ARG 38 1HH1 ARG 38 3.180 -9.020 -2.044 299 2HH1 ARG 38 2HH1 ARG 38 3.608 -8.770 -3.703 300 1HH2 ARG 38 1HH2 ARG 38 1.827 -11.511 -4.854 301 2HH2 ARG 38 2HH2 ARG 38 2.844 -10.179 -5.292 302 H LYS 39 H LYS 39 6.650 -10.195 0.468 303 HA LYS 39 HA LYS 39 7.022 -7.589 -0.643 304 1HB LYS 39 2HB LYS 39 8.488 -10.187 -1.165 305 2HB LYS 39 1HB LYS 39 9.018 -8.624 -1.777 306 1HG LYS 39 2HG LYS 39 10.111 -8.355 0.174 307 2HG LYS 39 1HG LYS 39 8.527 -8.149 0.922 308 1HD LYS 39 2HD LYS 39 8.401 -10.440 1.544 309 2HD LYS 39 1HD LYS 39 9.732 -10.884 0.473 310 1HE LYS 39 2HE LYS 39 11.132 -10.625 2.217 311 2HE LYS 39 1HE LYS 39 10.773 -8.899 2.177 312 1HZ LYS 39 1HZ LYS 39 8.678 -9.628 3.491 313 2HZ LYS 39 2HZ LYS 39 10.161 -9.460 4.300 314 3HZ LYS 39 3HZ LYS 39 9.600 -11.002 3.863 315 H THR 40 H THR 40 7.456 -7.179 -3.003 316 HA THR 40 HA THR 40 5.344 -8.537 -4.609 317 HB THR 40 HB THR 40 5.413 -5.989 -4.311 318 HG1 THR 40 HG1 THR 40 4.483 -7.388 -6.115 319 1HG2 THR 40 1HG2 THR 40 6.971 -4.743 -5.626 320 2HG2 THR 40 2HG2 THR 40 7.564 -6.199 -6.424 321 3HG2 THR 40 3HG2 THR 40 7.925 -5.918 -4.721 322 H GLY 41 H GLY 41 5.891 -8.722 -7.022 323 1HA GLY 41 1HA GLY 41 7.421 -9.250 -8.774 324 2HA GLY 41 2HA GLY 41 8.746 -9.157 -7.613 325 H GLN 42 H GLN 42 5.843 -11.167 -8.272 326 HA GLN 42 HA GLN 42 7.486 -13.582 -8.194 327 1HB GLN 42 2HB GLN 42 6.171 -14.606 -6.293 328 2HB GLN 42 1HB GLN 42 7.282 -13.323 -5.815 329 1HG GLN 42 2HG GLN 42 4.470 -12.581 -6.526 330 2HG GLN 42 1HG GLN 42 4.775 -13.323 -4.954 331 1HE2 GLN 42 1HE2 GLN 42 7.073 -12.259 -4.031 332 2HE2 GLN 42 2HE2 GLN 42 7.026 -10.563 -3.996 333 H ALA 43 H ALA 43 4.280 -12.108 -8.345 334 HA ALA 43 HA ALA 43 2.532 -14.106 -8.895 335 1HB ALA 43 1HB ALA 43 2.961 -11.485 -10.291 336 2HB ALA 43 2HB ALA 43 1.640 -11.979 -9.231 337 3HB ALA 43 3HB ALA 43 1.723 -12.592 -10.883 338 HA PRO 44 HA PRO 44 4.239 -16.488 -12.193 339 1HB PRO 44 2HB PRO 44 1.979 -17.958 -12.739 340 2HB PRO 44 1HB PRO 44 3.033 -18.259 -11.345 341 1HG PRO 44 2HG PRO 44 0.339 -16.986 -11.419 342 2HG PRO 44 1HG PRO 44 1.133 -17.857 -10.096 343 1HD PRO 44 2HD PRO 44 0.906 -15.044 -10.328 344 2HD PRO 44 1HD PRO 44 1.970 -15.918 -9.204 345 H GLY 45 H GLY 45 4.491 -15.913 -14.315 346 1HA GLY 45 2HA GLY 45 3.790 -15.418 -16.542 347 2HA GLY 45 1HA GLY 45 2.144 -15.192 -15.948 348 H TYR 46 H TYR 46 2.502 -13.308 -13.956 349 HA TYR 46 HA TYR 46 3.353 -10.951 -15.562 350 1HB TYR 46 2HB TYR 46 1.054 -10.906 -14.685 351 2HB TYR 46 1HB TYR 46 1.665 -11.121 -13.047 352 HD1 TYR 46 HD1 TYR 46 3.997 -9.133 -14.821 353 HD2 TYR 46 HD2 TYR 46 0.156 -8.920 -12.922 354 HE1 TYR 46 HE1 TYR 46 4.237 -6.682 -14.580 355 HE2 TYR 46 HE2 TYR 46 0.426 -6.472 -12.704 356 HH TYR 46 HH TYR 46 2.903 -4.726 -14.304 357 H SER 47 H SER 47 5.624 -11.943 -14.871 358 HA SER 47 HA SER 47 6.528 -11.555 -12.176 359 1HB SER 47 2HB SER 47 7.865 -11.781 -14.857 360 2HB SER 47 1HB SER 47 8.814 -11.231 -13.478 361 HG SER 47 HG SER 47 8.562 -13.144 -12.525 362 H TYR 48 H TYR 48 5.852 -9.524 -11.399 363 HA TYR 48 HA TYR 48 5.835 -7.087 -12.764 364 1HB TYR 48 2HB TYR 48 6.747 -7.210 -9.902 365 2HB TYR 48 1HB TYR 48 5.742 -5.994 -10.685 366 HD1 TYR 48 HD1 TYR 48 4.113 -8.281 -12.213 367 HD2 TYR 48 HD2 TYR 48 5.099 -7.454 -8.132 368 HE1 TYR 48 HE1 TYR 48 2.073 -9.486 -11.478 369 HE2 TYR 48 HE2 TYR 48 3.063 -8.658 -7.382 370 HH TYR 48 HH TYR 48 0.759 -9.215 -8.470 371 H THR 49 H THR 49 7.432 -5.201 -11.949 372 HA THR 49 HA THR 49 9.929 -5.675 -13.244 373 HB THR 49 HB THR 49 10.631 -3.551 -11.923 374 HG1 THR 49 HG1 THR 49 8.757 -2.466 -11.098 375 1HG2 THR 49 1HG2 THR 49 8.634 -2.322 -13.281 376 2HG2 THR 49 2HG2 THR 49 8.578 -3.919 -14.025 377 3HG2 THR 49 3HG2 THR 49 10.071 -2.983 -14.059 378 H ALA 50 H ALA 50 10.822 -7.550 -12.361 379 HA ALA 50 HA ALA 50 11.231 -8.550 -9.908 380 1HB ALA 50 1HB ALA 50 13.852 -8.561 -10.847 381 2HB ALA 50 2HB ALA 50 12.877 -8.425 -12.309 382 3HB ALA 50 3HB ALA 50 12.618 -9.771 -11.199 383 H ALA 51 H ALA 51 12.807 -5.595 -11.064 384 HA ALA 51 HA ALA 51 14.739 -5.071 -9.176 385 1HB ALA 51 1HB ALA 51 13.009 -2.753 -9.299 386 2HB ALA 51 2HB ALA 51 13.149 -3.490 -10.895 387 3HB ALA 51 3HB ALA 51 14.598 -2.984 -10.027 388 H ASN 52 H ASN 52 11.342 -4.099 -8.662 389 HA ASN 52 HA ASN 52 11.315 -3.384 -6.026 390 1HB ASN 52 2HB ASN 52 9.392 -4.100 -7.841 391 2HB ASN 52 1HB ASN 52 9.221 -5.367 -6.625 392 1HD2 ASN 52 1HD2 ASN 52 10.150 -3.622 -4.402 393 2HD2 ASN 52 2HD2 ASN 52 8.879 -2.541 -4.095 394 H LYS 53 H LYS 53 10.515 -6.775 -6.841 395 HA LYS 53 HA LYS 53 10.720 -7.907 -4.339 396 1HB LYS 53 2HB LYS 53 10.420 -8.945 -6.806 397 2HB LYS 53 1HB LYS 53 12.085 -9.439 -6.496 398 1HG LYS 53 2HG LYS 53 10.313 -9.868 -4.198 399 2HG LYS 53 1HG LYS 53 9.831 -10.787 -5.624 400 1HD LYS 53 2HD LYS 53 12.424 -11.320 -5.753 401 2HD LYS 53 1HD LYS 53 12.361 -10.953 -4.030 402 1HE LYS 53 2HE LYS 53 10.346 -12.565 -3.950 403 2HE LYS 53 1HE LYS 53 10.885 -13.110 -5.538 404 1HZ LYS 53 1HZ LYS 53 12.021 -14.519 -4.159 405 2HZ LYS 53 2HZ LYS 53 12.222 -13.358 -2.934 406 3HZ LYS 53 3HZ LYS 53 13.167 -13.282 -4.345 407 H ASN 54 H ASN 54 13.450 -7.104 -6.466 408 HA ASN 54 HA ASN 54 15.452 -8.316 -4.833 409 1HB ASN 54 2HB ASN 54 15.583 -6.082 -6.865 410 2HB ASN 54 1HB ASN 54 17.014 -6.749 -6.077 411 1HD2 ASN 54 1HD2 ASN 54 16.356 -6.956 -8.964 412 2HD2 ASN 54 2HD2 ASN 54 16.222 -8.614 -9.304 413 H LYS 55 H LYS 55 14.155 -4.995 -4.892 414 HA LYS 55 HA LYS 55 15.931 -3.786 -3.091 415 1HB LYS 55 2HB LYS 55 14.004 -2.653 -4.249 416 2HB LYS 55 1HB LYS 55 12.920 -3.417 -3.087 417 1HG LYS 55 2HG LYS 55 13.363 -1.255 -2.197 418 2HG LYS 55 1HG LYS 55 14.375 -2.355 -1.262 419 1HD LYS 55 2HD LYS 55 16.254 -1.849 -2.885 420 2HD LYS 55 1HD LYS 55 15.231 -0.581 -3.561 421 1HE LYS 55 2HE LYS 55 15.141 0.573 -1.438 422 2HE LYS 55 1HE LYS 55 15.967 -0.758 -0.628 423 1HZ LYS 55 1HZ LYS 55 17.960 -0.155 -1.459 424 2HZ LYS 55 2HZ LYS 55 17.231 1.378 -1.527 425 3HZ LYS 55 3HZ LYS 55 17.320 0.414 -2.923 426 H GLY 56 H GLY 56 13.661 -6.341 -2.519 427 1HA GLY 56 1HA GLY 56 13.203 -7.575 -0.579 428 2HA GLY 56 2HA GLY 56 14.678 -6.880 0.099 429 H ILE 57 H ILE 57 11.834 -5.147 -1.076 430 HA ILE 57 HA ILE 57 11.595 -3.914 1.629 431 HB ILE 57 HB ILE 57 11.945 -2.454 -0.398 432 1HG1 ILE 57 2HG1 ILE 57 10.833 -1.687 1.738 433 2HG1 ILE 57 1HG1 ILE 57 10.346 -0.783 0.304 434 1HG2 ILE 57 1HG2 ILE 57 9.102 -2.690 -1.161 435 2HG2 ILE 57 2HG2 ILE 57 10.088 -4.092 -1.571 436 3HG2 ILE 57 3HG2 ILE 57 10.530 -2.496 -2.176 437 1HD1 ILE 57 1HD1 ILE 57 8.466 -2.723 0.253 438 2HD1 ILE 57 2HD1 ILE 57 8.247 -1.211 1.130 439 3HD1 ILE 57 3HD1 ILE 57 8.768 -2.660 1.988 440 H ILE 58 H ILE 58 9.988 -4.679 2.889 441 HA ILE 58 HA ILE 58 7.765 -6.207 1.715 442 HB ILE 58 HB ILE 58 8.568 -7.039 3.822 443 1HG1 ILE 58 2HG1 ILE 58 6.579 -7.020 5.147 444 2HG1 ILE 58 1HG1 ILE 58 6.117 -5.422 4.562 445 1HG2 ILE 58 1HG2 ILE 58 8.906 -4.213 4.366 446 2HG2 ILE 58 2HG2 ILE 58 9.628 -5.596 5.190 447 3HG2 ILE 58 3HG2 ILE 58 8.046 -4.998 5.691 448 1HD1 ILE 58 1HD1 ILE 58 5.836 -6.361 2.279 449 2HD1 ILE 58 2HD1 ILE 58 4.770 -7.142 3.447 450 3HD1 ILE 58 3HD1 ILE 58 6.235 -7.961 2.905 451 H TRP 59 H TRP 59 6.426 -4.816 0.599 452 HA TRP 59 HA TRP 59 5.889 -2.171 0.904 453 1HB TRP 59 2HB TRP 59 4.010 -4.423 0.233 454 2HB TRP 59 1HB TRP 59 3.464 -2.745 0.231 455 HD1 TRP 59 HD1 TRP 59 4.375 -5.019 -2.221 456 HE1 TRP 59 HE1 TRP 59 5.697 -3.988 -4.176 457 HE3 TRP 59 HE3 TRP 59 5.852 -0.621 -0.072 458 HZ2 TRP 59 HZ2 TRP 59 7.180 -1.606 -4.749 459 HZ3 TRP 59 HZ3 TRP 59 7.222 1.001 -1.345 460 HH2 TRP 59 HH2 TRP 59 7.888 0.509 -3.683 461 H GLY 60 H GLY 60 5.399 -0.945 2.591 462 1HA GLY 60 1HA GLY 60 3.428 -1.975 4.585 463 2HA GLY 60 2HA GLY 60 4.909 -1.178 5.118 464 H GLU 61 H GLU 61 3.449 0.434 6.125 465 HA GLU 61 HA GLU 61 1.775 2.099 4.417 466 1HB GLU 61 2HB GLU 61 1.569 1.628 6.987 467 2HB GLU 61 1HB GLU 61 2.738 2.941 7.139 468 1HG GLU 61 2HG GLU 61 0.786 3.805 5.270 469 2HG GLU 61 1HG GLU 61 -0.090 3.111 6.636 470 H ASP 62 H ASP 62 4.655 2.925 6.395 471 HA ASP 62 HA ASP 62 5.128 5.350 4.914 472 1HB ASP 62 2HB ASP 62 7.125 3.853 6.625 473 2HB ASP 62 1HB ASP 62 7.109 5.578 6.253 474 H THR 63 H THR 63 6.406 2.059 4.738 475 HA THR 63 HA THR 63 8.571 2.561 2.970 476 HB THR 63 HB THR 63 7.308 0.063 2.296 477 HG1 THR 63 HG1 THR 63 6.186 0.116 4.173 478 1HG2 THR 63 1HG2 THR 63 9.361 -0.839 3.339 479 2HG2 THR 63 2HG2 THR 63 9.710 0.753 4.011 480 3HG2 THR 63 3HG2 THR 63 9.724 0.512 2.264 481 H LEU 64 H LEU 64 5.164 1.769 2.282 482 HA LEU 64 HA LEU 64 5.470 1.925 -0.588 483 1HB LEU 64 2HB LEU 64 3.499 1.058 1.111 484 2HB LEU 64 1HB LEU 64 2.817 2.571 0.519 485 HG LEU 64 HG LEU 64 3.855 0.290 -1.186 486 1HD1 LEU 64 1HD1 LEU 64 1.764 -0.422 -0.458 487 2HD1 LEU 64 2HD1 LEU 64 1.315 0.500 -1.894 488 3HD1 LEU 64 3HD1 LEU 64 1.148 1.222 -0.293 489 1HD2 LEU 64 1HD2 LEU 64 4.199 2.007 -2.655 490 2HD2 LEU 64 2HD2 LEU 64 3.181 3.121 -1.742 491 3HD2 LEU 64 3HD2 LEU 64 2.446 1.950 -2.838 492 H MET 65 H MET 65 4.590 4.232 1.945 493 HA MET 65 HA MET 65 3.606 6.366 0.432 494 1HB MET 65 2HB MET 65 3.651 6.649 2.789 495 2HB MET 65 1HB MET 65 5.374 6.289 2.881 496 1HG MET 65 2HG MET 65 5.965 8.426 2.396 497 2HG MET 65 1HG MET 65 4.733 8.576 1.144 498 1HE MET 65 1HE MET 65 3.125 11.370 2.599 499 2HE MET 65 2HE MET 65 2.385 10.086 1.646 500 3HE MET 65 3HE MET 65 4.050 10.562 1.326 501 H GLU 66 H GLU 66 6.985 5.444 1.012 502 HA GLU 66 HA GLU 66 8.128 7.608 -0.488 503 1HB GLU 66 2HB GLU 66 9.281 6.028 1.198 504 2HB GLU 66 1HB GLU 66 9.406 4.896 -0.148 505 1HG GLU 66 2HG GLU 66 10.705 6.450 -1.443 506 2HG GLU 66 1HG GLU 66 10.399 7.751 -0.292 507 H TYR 67 H TYR 67 7.509 4.184 -1.331 508 HA TYR 67 HA TYR 67 8.424 4.278 -3.997 509 1HB TYR 67 2HB TYR 67 7.777 2.180 -2.911 510 2HB TYR 67 1HB TYR 67 6.094 2.705 -2.856 511 HD1 TYR 67 HD1 TYR 67 8.858 2.488 -5.407 512 HD2 TYR 67 HD2 TYR 67 4.706 1.849 -4.513 513 HE1 TYR 67 HE1 TYR 67 8.495 1.618 -7.698 514 HE2 TYR 67 HE2 TYR 67 4.345 0.980 -6.804 515 HH TYR 67 HH TYR 67 5.338 1.064 -8.979 516 H LEU 68 H LEU 68 5.592 5.719 -2.588 517 HA LEU 68 HA LEU 68 4.280 6.057 -5.201 518 1HB LEU 68 2HB LEU 68 3.490 6.284 -2.425 519 2HB LEU 68 1HB LEU 68 3.034 7.736 -3.317 520 HG LEU 68 HG LEU 68 1.875 6.402 -4.992 521 1HD1 LEU 68 1HD1 LEU 68 2.468 4.263 -5.363 522 2HD1 LEU 68 2HD1 LEU 68 1.893 3.817 -3.757 523 3HD1 LEU 68 3HD1 LEU 68 3.564 4.332 -3.982 524 1HD2 LEU 68 1HD2 LEU 68 1.072 5.265 -2.307 525 2HD2 LEU 68 2HD2 LEU 68 0.033 5.683 -3.669 526 3HD2 LEU 68 3HD2 LEU 68 0.796 6.957 -2.719 527 H GLU 69 H GLU 69 6.085 8.017 -2.862 528 HA GLU 69 HA GLU 69 5.722 10.547 -4.109 529 1HB GLU 69 2HB GLU 69 6.956 9.801 -1.884 530 2HB GLU 69 1HB GLU 69 8.364 9.768 -2.934 531 1HG GLU 69 2HG GLU 69 7.630 12.128 -3.689 532 2HG GLU 69 1HG GLU 69 6.592 12.118 -2.261 533 H ASN 70 H ASN 70 7.524 7.739 -4.928 534 HA ASN 70 HA ASN 70 8.070 8.587 -7.600 535 1HB ASN 70 2HB ASN 70 10.691 8.482 -7.142 536 2HB ASN 70 1HB ASN 70 9.807 10.001 -6.993 537 1HD2 ASN 70 1HD2 ASN 70 10.893 10.992 -5.244 538 2HD2 ASN 70 2HD2 ASN 70 11.056 10.287 -3.709 539 HA PRO 71 HA PRO 71 8.297 4.117 -6.868 540 1HB PRO 71 2HB PRO 71 7.042 3.485 -9.243 541 2HB PRO 71 1HB PRO 71 6.180 3.834 -7.735 542 1HG PRO 71 2HG PRO 71 6.515 5.554 -10.148 543 2HG PRO 71 1HG PRO 71 5.215 5.548 -8.945 544 1HD PRO 71 2HD PRO 71 7.322 7.420 -9.061 545 2HD PRO 71 1HD PRO 71 6.252 7.147 -7.669 546 H LYS 72 H LYS 72 9.063 5.941 -9.814 547 HA LYS 72 HA LYS 72 10.786 3.918 -10.928 548 1HB LYS 72 2HB LYS 72 9.771 5.755 -12.273 549 2HB LYS 72 1HB LYS 72 10.789 6.912 -11.415 550 1HG LYS 72 2HG LYS 72 12.359 6.532 -12.988 551 2HG LYS 72 1HG LYS 72 12.567 4.934 -12.271 552 1HD LYS 72 2HD LYS 72 10.312 4.583 -13.810 553 2HD LYS 72 1HD LYS 72 11.261 5.698 -14.794 554 1HE LYS 72 2HE LYS 72 13.077 4.207 -14.955 555 2HE LYS 72 1HE LYS 72 12.541 3.262 -13.566 556 1HZ LYS 72 1HZ LYS 72 10.774 2.350 -14.797 557 2HZ LYS 72 2HZ LYS 72 12.131 2.251 -15.815 558 3HZ LYS 72 3HZ LYS 72 10.965 3.460 -16.066 559 H LYS 73 H LYS 73 11.074 5.936 -8.245 560 HA LYS 73 HA LYS 73 14.014 6.201 -8.417 561 1HB LYS 73 2HB LYS 73 12.830 8.116 -7.536 562 2HB LYS 73 1HB LYS 73 11.970 7.111 -6.371 563 1HG LYS 73 2HG LYS 73 13.690 8.055 -5.081 564 2HG LYS 73 1HG LYS 73 14.349 6.478 -5.513 565 1HD LYS 73 2HD LYS 73 15.714 7.410 -7.237 566 2HD LYS 73 1HD LYS 73 14.865 8.955 -7.168 567 1HE LYS 73 2HE LYS 73 15.833 9.528 -5.089 568 2HE LYS 73 1HE LYS 73 16.324 7.867 -4.762 569 1HZ LYS 73 1HZ LYS 73 18.288 8.689 -5.489 570 2HZ LYS 73 2HZ LYS 73 17.572 9.877 -6.469 571 3HZ LYS 73 3HZ LYS 73 17.641 8.264 -6.998 572 H TYR 74 H TYR 74 11.603 4.714 -6.221 573 HA TYR 74 HA TYR 74 13.609 3.307 -4.675 574 1HB TYR 74 2HB TYR 74 11.117 3.930 -4.090 575 2HB TYR 74 1HB TYR 74 10.752 2.395 -4.878 576 HD1 TYR 74 HD1 TYR 74 10.532 0.604 -3.420 577 HD2 TYR 74 HD2 TYR 74 13.390 3.684 -2.528 578 HE1 TYR 74 HE1 TYR 74 11.198 -0.612 -1.364 579 HE2 TYR 74 HE2 TYR 74 14.056 2.470 -0.471 580 HH TYR 74 HH TYR 74 13.927 0.453 0.596 581 H ILE 75 H ILE 75 11.056 1.985 -6.792 582 HA ILE 75 HA ILE 75 12.659 -0.420 -7.280 583 HB ILE 75 HB ILE 75 9.978 0.183 -8.504 584 1HG1 ILE 75 2HG1 ILE 75 9.717 0.880 -6.185 585 2HG1 ILE 75 1HG1 ILE 75 8.939 -0.687 -6.393 586 1HG2 ILE 75 1HG2 ILE 75 10.818 -1.916 -9.133 587 2HG2 ILE 75 2HG2 ILE 75 9.737 -2.274 -7.787 588 3HG2 ILE 75 3HG2 ILE 75 11.482 -2.224 -7.528 589 1HD1 ILE 75 1HD1 ILE 75 10.172 -1.132 -4.493 590 2HD1 ILE 75 2HD1 ILE 75 11.446 0.008 -4.929 591 3HD1 ILE 75 3HD1 ILE 75 11.363 -1.564 -5.718 592 HA PRO 76 HA PRO 76 13.966 1.772 -11.011 593 1HB PRO 76 2HB PRO 76 16.099 0.107 -11.500 594 2HB PRO 76 1HB PRO 76 16.157 1.463 -10.360 595 1HG PRO 76 2HG PRO 76 15.998 -1.461 -9.794 596 2HG PRO 76 1HG PRO 76 16.667 -0.159 -8.796 597 1HD PRO 76 2HD PRO 76 14.143 -1.392 -8.440 598 2HD PRO 76 1HD PRO 76 14.691 0.113 -7.674 599 H GLY 77 H GLY 77 11.831 0.690 -11.806 600 1HA GLY 77 2HA GLY 77 12.250 -0.661 -14.225 601 2HA GLY 77 1HA GLY 77 11.965 -1.919 -13.022 602 H THR 78 H THR 78 10.131 -0.122 -11.460 603 HA THR 78 HA THR 78 7.673 -0.955 -12.508 604 HB THR 78 HB THR 78 8.061 0.128 -10.229 605 HG1 THR 78 HG1 THR 78 5.943 0.268 -11.917 606 1HG2 THR 78 1HG2 THR 78 8.335 2.392 -10.020 607 2HG2 THR 78 2HG2 THR 78 7.342 2.744 -11.433 608 3HG2 THR 78 3HG2 THR 78 9.016 2.232 -11.639 609 H LYS 79 H LYS 79 6.367 -0.265 -14.127 610 HA LYS 79 HA LYS 79 7.338 2.031 -15.747 611 1HB LYS 79 2HB LYS 79 5.166 0.062 -16.506 612 2HB LYS 79 1HB LYS 79 6.110 1.101 -17.574 613 1HG LYS 79 2HG LYS 79 8.116 -0.283 -16.396 614 2HG LYS 79 1HG LYS 79 6.837 -1.497 -16.333 615 1HD LYS 79 2HD LYS 79 7.228 -1.955 -18.501 616 2HD LYS 79 1HD LYS 79 6.678 -0.328 -18.902 617 1HE LYS 79 2HE LYS 79 8.823 0.511 -19.059 618 2HE LYS 79 1HE LYS 79 9.471 -0.636 -17.886 619 1HZ LYS 79 1HZ LYS 79 8.436 -1.801 -20.329 620 2HZ LYS 79 2HZ LYS 79 9.847 -2.170 -19.458 621 3HZ LYS 79 3HZ LYS 79 9.822 -0.844 -20.520 622 H MET 80 H MET 80 5.487 1.796 -13.158 623 HA MET 80 HA MET 80 3.086 3.129 -14.228 624 1HB MET 80 2HB MET 80 2.158 2.938 -12.036 625 2HB MET 80 1HB MET 80 3.053 1.458 -12.322 626 1HG MET 80 2HG MET 80 4.849 2.143 -10.963 627 2HG MET 80 1HG MET 80 4.276 3.785 -10.886 628 1HE MET 80 1HE MET 80 3.591 4.229 -8.028 629 2HE MET 80 2HE MET 80 1.867 4.181 -8.388 630 3HE MET 80 3HE MET 80 3.001 4.743 -9.614 631 H ILE 81 H ILE 81 2.945 5.241 -14.484 632 HA ILE 81 HA ILE 81 4.871 7.011 -13.038 633 HB ILE 81 HB ILE 81 3.303 7.631 -15.564 634 1HG1 ILE 81 2HG1 ILE 81 4.925 5.764 -15.897 635 2HG1 ILE 81 1HG1 ILE 81 5.395 7.220 -16.775 636 1HG2 ILE 81 1HG2 ILE 81 5.827 9.021 -14.905 637 2HG2 ILE 81 2HG2 ILE 81 4.493 9.346 -13.800 638 3HG2 ILE 81 3HG2 ILE 81 4.311 9.674 -15.524 639 1HD1 ILE 81 1HD1 ILE 81 6.835 7.819 -14.757 640 2HD1 ILE 81 2HD1 ILE 81 7.381 6.433 -15.699 641 3HD1 ILE 81 3HD1 ILE 81 6.536 6.183 -14.172 642 H PHE 82 H PHE 82 2.515 5.935 -11.904 643 HA PHE 82 HA PHE 82 0.211 7.565 -12.016 644 1HB PHE 82 2HB PHE 82 -0.159 5.608 -10.862 645 2HB PHE 82 1HB PHE 82 1.426 5.626 -10.104 646 HD1 PHE 82 HD1 PHE 82 1.818 6.781 -8.013 647 HD2 PHE 82 HD2 PHE 82 -2.004 6.941 -9.960 648 HE1 PHE 82 HE1 PHE 82 0.806 7.727 -5.951 649 HE2 PHE 82 HE2 PHE 82 -3.020 7.885 -7.901 650 HZ PHE 82 HZ PHE 82 -1.615 8.276 -5.898 651 H VAL 83 H VAL 83 3.232 7.971 -10.283 652 HA VAL 83 HA VAL 83 2.820 9.743 -8.284 653 HB VAL 83 HB VAL 83 4.854 11.040 -9.205 654 1HG1 VAL 83 1HG1 VAL 83 4.823 8.048 -8.752 655 2HG1 VAL 83 2HG1 VAL 83 5.160 9.310 -7.568 656 3HG1 VAL 83 3HG1 VAL 83 6.314 8.984 -8.861 657 1HG2 VAL 83 1HG2 VAL 83 6.003 9.820 -11.064 658 2HG2 VAL 83 2HG2 VAL 83 4.488 10.561 -11.575 659 3HG2 VAL 83 3HG2 VAL 83 4.561 8.828 -11.262 660 H GLY 84 H GLY 84 1.145 11.187 -8.254 661 1HA GLY 84 2HA GLY 84 1.352 13.551 -9.980 662 2HA GLY 84 1HA GLY 84 -0.117 12.601 -10.213 663 H ILE 85 H ILE 85 -0.501 11.778 -7.515 664 HA ILE 85 HA ILE 85 -1.919 14.014 -6.456 665 HB ILE 85 HB ILE 85 -0.905 11.604 -4.917 666 1HG1 ILE 85 2HG1 ILE 85 -3.460 11.965 -6.517 667 2HG1 ILE 85 1HG1 ILE 85 -2.103 10.940 -6.980 668 1HG2 ILE 85 1HG2 ILE 85 -3.077 12.053 -3.654 669 2HG2 ILE 85 2HG2 ILE 85 -3.142 13.599 -4.500 670 3HG2 ILE 85 3HG2 ILE 85 -1.797 13.242 -3.416 671 1HD1 ILE 85 1HD1 ILE 85 -4.219 10.460 -4.989 672 2HD1 ILE 85 2HD1 ILE 85 -2.593 10.086 -4.417 673 3HD1 ILE 85 3HD1 ILE 85 -3.219 9.305 -5.869 674 H LYS 86 H LYS 86 -1.364 15.510 -4.847 675 HA LYS 86 HA LYS 86 1.449 15.406 -3.845 676 1HB LYS 86 2HB LYS 86 1.646 17.829 -4.192 677 2HB LYS 86 1HB LYS 86 1.277 17.032 -5.721 678 1HG LYS 86 2HG LYS 86 -1.236 17.512 -4.772 679 2HG LYS 86 1HG LYS 86 -0.364 18.904 -4.131 680 1HD LYS 86 2HD LYS 86 0.089 19.760 -6.217 681 2HD LYS 86 1HD LYS 86 0.161 18.166 -6.970 682 1HE LYS 86 2HE LYS 86 -2.488 18.466 -6.039 683 2HE LYS 86 1HE LYS 86 -2.068 19.993 -6.817 684 1HZ LYS 86 1HZ LYS 86 -2.412 18.983 -8.743 685 2HZ LYS 86 2HZ LYS 86 -2.591 17.467 -7.998 686 3HZ LYS 86 3HZ LYS 86 -1.048 18.020 -8.442 687 H LYS 87 H LYS 87 -0.730 14.500 -2.350 688 HA LYS 87 HA LYS 87 -0.839 16.604 -0.241 689 1HB LYS 87 2HB LYS 87 -3.009 16.130 -1.809 690 2HB LYS 87 1HB LYS 87 -3.273 14.938 -0.535 691 1HG LYS 87 2HG LYS 87 -4.034 16.579 0.799 692 2HG LYS 87 1HG LYS 87 -2.434 17.321 0.750 693 1HD LYS 87 2HD LYS 87 -3.135 18.964 -0.632 694 2HD LYS 87 1HD LYS 87 -3.951 17.818 -1.695 695 1HE LYS 87 2HE LYS 87 -5.487 17.849 0.655 696 2HE LYS 87 1HE LYS 87 -5.081 19.538 0.351 697 1HZ LYS 87 1HZ LYS 87 -6.903 19.325 -0.968 698 2HZ LYS 87 2HZ LYS 87 -6.643 17.675 -1.278 699 3HZ LYS 87 3HZ LYS 87 -5.719 18.849 -2.085 700 H LYS 88 H LYS 88 0.274 15.649 1.396 701 HA LYS 88 HA LYS 88 0.748 12.909 1.782 702 1HB LYS 88 2HB LYS 88 0.793 15.320 3.531 703 2HB LYS 88 1HB LYS 88 0.790 13.752 4.338 704 1HG LYS 88 2HG LYS 88 2.843 13.136 3.454 705 2HG LYS 88 1HG LYS 88 2.660 14.170 2.037 706 1HD LYS 88 2HD LYS 88 2.782 15.528 4.686 707 2HD LYS 88 1HD LYS 88 4.280 14.823 4.080 708 1HE LYS 88 2HE LYS 88 3.505 16.033 1.828 709 2HE LYS 88 1HE LYS 88 2.663 17.078 2.973 710 1HZ LYS 88 1HZ LYS 88 5.522 16.707 2.548 711 2HZ LYS 88 2HZ LYS 88 5.014 16.934 4.154 712 3HZ LYS 88 3HZ LYS 88 4.659 18.104 2.974 713 H GLU 89 H GLU 89 -2.090 14.802 2.589 714 HA GLU 89 HA GLU 89 -3.260 12.930 4.420 715 1HB GLU 89 2HB GLU 89 -3.933 15.368 4.061 716 2HB GLU 89 1HB GLU 89 -4.787 14.817 2.618 717 1HG GLU 89 2HG GLU 89 -6.492 14.640 4.172 718 2HG GLU 89 1HG GLU 89 -5.784 13.030 4.316 719 H GLU 90 H GLU 90 -3.711 13.444 0.910 720 HA GLU 90 HA GLU 90 -5.650 11.388 0.541 721 1HB GLU 90 2HB GLU 90 -4.201 13.191 -1.102 722 2HB GLU 90 1HB GLU 90 -3.925 11.574 -1.754 723 1HG GLU 90 2HG GLU 90 -5.935 12.493 -2.772 724 2HG GLU 90 1HG GLU 90 -6.397 11.181 -1.687 725 H ARG 91 H ARG 91 -2.098 11.287 0.110 726 HA ARG 91 HA ARG 91 -1.854 8.591 -0.636 727 1HB ARG 91 2HB ARG 91 -0.050 10.355 1.033 728 2HB ARG 91 1HB ARG 91 0.412 8.726 0.533 729 1HG ARG 91 2HG ARG 91 -0.025 9.394 -1.845 730 2HG ARG 91 1HG ARG 91 -0.303 11.044 -1.285 731 1HD ARG 91 2HD ARG 91 1.986 11.051 -0.291 732 2HD ARG 91 1HD ARG 91 2.257 9.449 -0.978 733 HE ARG 91 HE ARG 91 2.047 10.486 -3.228 734 1HH1 ARG 91 1HH1 ARG 91 1.000 12.940 -1.335 735 2HH1 ARG 91 2HH1 ARG 91 2.158 14.121 -1.848 736 1HH2 ARG 91 1HH2 ARG 91 4.144 11.829 -3.531 737 2HH2 ARG 91 2HH2 ARG 91 3.939 13.493 -3.093 738 H ALA 92 H ALA 92 -2.090 9.986 2.628 739 HA ALA 92 HA ALA 92 -1.741 7.562 4.077 740 1HB ALA 92 1HB ALA 92 -2.616 8.729 5.950 741 2HB ALA 92 2HB ALA 92 -3.613 9.773 4.937 742 3HB ALA 92 3HB ALA 92 -1.862 9.985 4.969 743 H ASP 93 H ASP 93 -4.631 9.044 2.642 744 HA ASP 93 HA ASP 93 -6.504 7.152 3.696 745 1HB ASP 93 2HB ASP 93 -6.502 9.303 1.707 746 2HB ASP 93 1HB ASP 93 -7.559 7.963 1.263 747 H LEU 94 H LEU 94 -4.347 7.119 0.926 748 HA LEU 94 HA LEU 94 -5.558 4.944 -0.495 749 1HB LEU 94 2HB LEU 94 -2.669 5.864 -0.370 750 2HB LEU 94 1HB LEU 94 -3.288 4.682 -1.522 751 HG LEU 94 HG LEU 94 -4.140 7.578 -1.260 752 1HD1 LEU 94 1HD1 LEU 94 -1.993 6.588 -2.575 753 2HD1 LEU 94 2HD1 LEU 94 -2.918 7.971 -3.160 754 3HD1 LEU 94 3HD1 LEU 94 -3.227 6.362 -3.815 755 1HD2 LEU 94 1HD2 LEU 94 -5.465 5.214 -2.428 756 2HD2 LEU 94 2HD2 LEU 94 -5.330 6.587 -3.528 757 3HD2 LEU 94 3HD2 LEU 94 -6.144 6.776 -1.976 758 H ILE 95 H ILE 95 -3.063 5.054 2.041 759 HA ILE 95 HA ILE 95 -2.666 2.174 2.036 760 HB ILE 95 HB ILE 95 -2.013 3.934 4.386 761 1HG1 ILE 95 2HG1 ILE 95 -1.260 5.351 2.641 762 2HG1 ILE 95 1HG1 ILE 95 0.168 4.418 3.086 763 1HG2 ILE 95 1HG2 ILE 95 -1.358 1.304 3.453 764 2HG2 ILE 95 2HG2 ILE 95 -0.840 2.095 4.943 765 3HG2 ILE 95 3HG2 ILE 95 0.117 2.271 3.471 766 1HD1 ILE 95 1HD1 ILE 95 0.321 3.859 0.903 767 2HD1 ILE 95 2HD1 ILE 95 -1.300 4.462 0.562 768 3HD1 ILE 95 3HD1 ILE 95 -1.081 2.825 1.179 769 H ALA 96 H ALA 96 -4.661 4.442 3.847 770 HA ALA 96 HA ALA 96 -5.495 2.758 5.953 771 1HB ALA 96 1HB ALA 96 -6.700 5.100 4.532 772 2HB ALA 96 2HB ALA 96 -6.231 4.939 6.225 773 3HB ALA 96 3HB ALA 96 -7.712 4.178 5.644 774 H TYR 97 H TYR 97 -6.945 3.171 2.705 775 HA TYR 97 HA TYR 97 -9.004 1.219 3.168 776 1HB TYR 97 2HB TYR 97 -9.341 2.855 1.427 777 2HB TYR 97 1HB TYR 97 -7.854 2.362 0.613 778 HD1 TYR 97 HD1 TYR 97 -8.358 1.264 -1.380 779 HD2 TYR 97 HD2 TYR 97 -10.702 0.439 2.122 780 HE1 TYR 97 HE1 TYR 97 -9.604 -0.482 -2.627 781 HE2 TYR 97 HE2 TYR 97 -11.948 -1.307 0.879 782 HH TYR 97 HH TYR 97 -11.253 -1.961 -2.560 783 H LEU 98 H LEU 98 -5.834 1.081 1.543 784 HA LEU 98 HA LEU 98 -6.107 -1.710 0.840 785 1HB LEU 98 2HB LEU 98 -4.008 0.364 0.697 786 2HB LEU 98 1HB LEU 98 -3.400 -1.278 0.907 787 HG LEU 98 HG LEU 98 -3.581 -0.868 -1.466 788 1HD1 LEU 98 1HD1 LEU 98 -4.501 -2.892 -1.871 789 2HD1 LEU 98 2HD1 LEU 98 -6.084 -2.373 -1.290 790 3HD1 LEU 98 3HD1 LEU 98 -4.868 -2.944 -0.147 791 1HD2 LEU 98 1HD2 LEU 98 -6.299 0.181 -0.698 792 2HD2 LEU 98 2HD2 LEU 98 -6.000 -0.400 -2.336 793 3HD2 LEU 98 3HD2 LEU 98 -5.059 0.946 -1.691 794 H LYS 99 H LYS 99 -5.659 -0.181 3.796 795 HA LYS 99 HA LYS 99 -4.120 -2.431 4.935 796 1HB LYS 99 2HB LYS 99 -3.534 0.004 5.434 797 2HB LYS 99 1HB LYS 99 -5.024 0.064 6.376 798 1HG LYS 99 2HG LYS 99 -3.365 -2.283 6.980 799 2HG LYS 99 1HG LYS 99 -2.569 -0.750 7.345 800 1HD LYS 99 2HD LYS 99 -5.245 -0.481 8.225 801 2HD LYS 99 1HD LYS 99 -4.697 -2.062 8.784 802 1HE LYS 99 2HE LYS 99 -2.704 0.085 9.108 803 2HE LYS 99 1HE LYS 99 -4.168 0.309 10.066 804 1HZ LYS 99 1HZ LYS 99 -3.841 -2.134 10.686 805 2HZ LYS 99 2HZ LYS 99 -2.820 -0.986 11.410 806 3HZ LYS 99 3HZ LYS 99 -2.255 -1.935 10.120 807 H LYS 100 H LYS 100 -7.328 -1.246 4.647 808 HA LYS 100 HA LYS 100 -8.228 -2.891 6.968 809 1HB LYS 100 2HB LYS 100 -8.951 -0.418 6.546 810 2HB LYS 100 1HB LYS 100 -10.022 -1.116 5.330 811 1HG LYS 100 2HG LYS 100 -11.477 -1.688 6.943 812 2HG LYS 100 1HG LYS 100 -10.243 -2.704 7.690 813 1HD LYS 100 2HD LYS 100 -10.816 -1.161 9.386 814 2HD LYS 100 1HD LYS 100 -9.324 -0.513 8.703 815 1HE LYS 100 2HE LYS 100 -10.594 1.039 7.307 816 2HE LYS 100 1HE LYS 100 -12.112 0.350 7.884 817 1HZ LYS 100 1HZ LYS 100 -10.341 2.223 9.169 818 2HZ LYS 100 2HZ LYS 100 -10.836 0.951 10.179 819 3HZ LYS 100 3HZ LYS 100 -11.993 1.942 9.427 820 H ALA 101 H ALA 101 -8.356 -2.687 3.481 821 HA ALA 101 HA ALA 101 -10.457 -4.718 3.296 822 1HB ALA 101 1HB ALA 101 -9.859 -2.661 1.672 823 2HB ALA 101 2HB ALA 101 -10.638 -4.130 1.084 824 3HB ALA 101 3HB ALA 101 -8.898 -3.919 0.894 825 H THR 102 H THR 102 -6.989 -4.450 2.488 826 HA THR 102 HA THR 102 -6.938 -7.435 2.301 827 HB THR 102 HB THR 102 -4.548 -6.384 1.226 828 HG1 THR 102 HG1 THR 102 -5.394 -4.952 -0.324 829 1HG2 THR 102 1HG2 THR 102 -6.747 -8.071 0.499 830 2HG2 THR 102 2HG2 THR 102 -5.124 -8.028 -0.192 831 3HG2 THR 102 3HG2 THR 102 -6.391 -6.996 -0.853 832 H ASN 103 H ASN 103 -6.803 -6.058 4.811 833 HA ASN 103 HA ASN 103 -4.494 -7.293 5.942 834 1HB ASN 103 2HB ASN 103 -3.635 -5.131 4.668 835 2HB ASN 103 1HB ASN 103 -4.217 -4.317 6.120 836 1HD2 ASN 103 1HD2 ASN 103 -3.301 -5.130 8.241 837 2HD2 ASN 103 2HD2 ASN 103 -1.746 -5.810 8.253 838 H GLU 104 HN GLU 104 -6.885 -7.656 6.861 839 HA GLU 104 HA GLU 104 -7.067 -5.930 9.291 840 1HB GLU 104 2HB GLU 104 -8.882 -5.626 7.377 841 2HB GLU 104 1HB GLU 104 -9.561 -7.085 8.100 842 1HG GLU 104 2HG GLU 104 -8.743 -4.930 9.981 843 2HG GLU 104 1HG GLU 104 -10.171 -4.618 8.994 844 HHA HEC 105 HHA HEC 105 4.463 -2.511 -8.997 845 HHB HEC 105 HHB HEC 105 1.431 1.042 -4.763 846 HHC HEC 105 HHC HEC 105 -1.814 3.841 -9.413 847 HHD HEC 105 HHD HEC 105 1.147 0.216 -13.654 848 1HMA HEC 105 1HMA HEC 105 3.937 0.013 -3.895 849 2HMA HEC 105 2HMA HEC 105 3.863 -1.749 -3.938 850 3HMA HEC 105 3HMA HEC 105 2.386 -0.809 -3.728 851 1HAA HEC 105 1HAA HEC 105 4.867 -2.785 -5.290 852 2HAA HEC 105 2HAA HEC 105 5.798 -2.221 -6.662 853 1HBA HEC 105 1HBA HEC 105 3.672 -3.749 -7.715 854 2HBA HEC 105 2HBA HEC 105 4.325 -4.669 -6.363 855 1HMB HEC 105 1HMB HEC 105 -1.506 2.550 -4.129 856 2HMB HEC 105 2HMB HEC 105 -0.440 3.952 -4.212 857 3HMB HEC 105 3HMB HEC 105 0.232 2.351 -3.904 858 HAB HEC 105 HAB HEC 105 -2.356 4.784 -7.656 859 1HBB HEC 105 1HBB HEC 105 -0.840 5.705 -5.843 860 2HBB HEC 105 2HBB HEC 105 -1.983 4.980 -4.712 861 3HBB HEC 105 3HBB HEC 105 -2.533 6.199 -5.862 862 1HMC HEC 105 1HMC HEC 105 -3.027 3.417 -12.675 863 2HMC HEC 105 2HMC HEC 105 -2.605 4.269 -11.190 864 3HMC HEC 105 3HMC HEC 105 -1.799 4.684 -12.704 865 HAC HEC 105 HAC HEC 105 0.065 1.639 -14.709 866 1HBC HEC 105 1HBC HEC 105 -0.873 3.339 -15.876 867 2HBC HEC 105 2HBC HEC 105 -0.485 4.123 -14.344 868 3HBC HEC 105 3HBC HEC 105 -2.141 3.618 -14.682 869 1HMD HEC 105 1HMD HEC 105 3.256 -2.746 -14.138 870 2HMD HEC 105 2HMD HEC 105 2.166 -1.401 -14.474 871 3HMD HEC 105 3HMD HEC 105 3.904 -1.121 -14.362 872 1HAD HEC 105 1HAD HEC 105 4.635 -3.701 -10.725 873 2HAD HEC 105 2HAD HEC 105 4.221 -3.842 -12.427 874 1HBD HEC 105 1HBD HEC 105 6.706 -3.146 -11.360 875 2HBD HEC 105 2HBD HEC 105 6.045 -1.639 -11.985 Start of MODEL 13 1 1H GLY 1 1HT GLY 1 -10.596 6.084 9.619 2 2H GLY 1 2HT GLY 1 -9.592 7.369 10.098 3 3H GLY 1 3HT GLY 1 -9.087 6.302 8.875 4 1HA GLY 1 1HA GLY 1 -10.658 8.661 8.668 5 2HA GLY 1 2HA GLY 1 -9.909 7.705 7.389 6 H ASP 2 H ASP 2 -11.446 7.068 5.954 7 HA ASP 2 HA ASP 2 -13.892 5.769 7.011 8 1HB ASP 2 2HB ASP 2 -14.266 7.712 4.767 9 2HB ASP 2 1HB ASP 2 -15.415 7.190 5.999 10 H VAL 3 H VAL 3 -14.732 4.214 5.589 11 HA VAL 3 HA VAL 3 -12.913 3.101 3.658 12 HB VAL 3 HB VAL 3 -14.522 1.690 4.838 13 1HG1 VAL 3 1HG1 VAL 3 -16.798 2.056 4.862 14 2HG1 VAL 3 2HG1 VAL 3 -16.805 2.787 3.257 15 3HG1 VAL 3 3HG1 VAL 3 -16.255 3.720 4.648 16 1HG2 VAL 3 1HG2 VAL 3 -14.186 1.768 1.985 17 2HG2 VAL 3 2HG2 VAL 3 -15.824 1.222 2.346 18 3HG2 VAL 3 3HG2 VAL 3 -14.439 0.362 3.019 19 H GLU 4 H GLU 4 -15.880 5.046 3.365 20 HA GLU 4 HA GLU 4 -16.103 4.976 0.532 21 1HB GLU 4 2HB GLU 4 -17.922 5.891 1.799 22 2HB GLU 4 1HB GLU 4 -16.874 7.090 2.558 23 1HG GLU 4 2HG GLU 4 -16.970 7.102 -0.416 24 2HG GLU 4 1HG GLU 4 -18.417 7.662 0.422 25 H LYS 5 H LYS 5 -13.887 6.665 2.620 26 HA LYS 5 HA LYS 5 -13.068 8.644 0.652 27 1HB LYS 5 2HB LYS 5 -12.760 8.577 3.288 28 2HB LYS 5 1HB LYS 5 -11.259 7.752 2.869 29 1HG LYS 5 2HG LYS 5 -10.436 9.871 2.696 30 2HG LYS 5 1HG LYS 5 -11.195 9.825 1.104 31 1HD LYS 5 2HD LYS 5 -13.289 10.747 2.159 32 2HD LYS 5 1HD LYS 5 -12.379 10.956 3.655 33 1HE LYS 5 2HE LYS 5 -10.878 12.059 1.457 34 2HE LYS 5 1HE LYS 5 -12.505 12.739 1.460 35 1HZ LYS 5 1HZ LYS 5 -11.741 12.688 4.093 36 2HZ LYS 5 2HZ LYS 5 -11.814 14.055 3.087 37 3HZ LYS 5 3HZ LYS 5 -10.354 13.205 3.265 38 H GLY 6 H GLY 6 -11.516 5.673 1.929 39 1HA GLY 6 1HA GLY 6 -9.419 5.734 -0.068 40 2HA GLY 6 2HA GLY 6 -9.784 4.379 1.001 41 H LYS 7 H LYS 7 -11.951 3.245 0.395 42 HA LYS 7 HA LYS 7 -11.824 1.907 -1.965 43 1HB LYS 7 2HB LYS 7 -13.575 1.000 -0.916 44 2HB LYS 7 1HB LYS 7 -13.753 2.416 0.089 45 1HG LYS 7 2HG LYS 7 -14.988 3.465 -1.944 46 2HG LYS 7 1HG LYS 7 -15.116 1.807 -2.534 47 1HD LYS 7 2HD LYS 7 -15.818 1.910 0.263 48 2HD LYS 7 1HD LYS 7 -16.779 3.083 -0.638 49 1HE LYS 7 2HE LYS 7 -16.474 0.444 -1.940 50 2HE LYS 7 1HE LYS 7 -17.414 0.440 -0.447 51 1HZ LYS 7 1HZ LYS 7 -17.884 2.340 -2.675 52 2HZ LYS 7 2HZ LYS 7 -18.870 2.076 -1.316 53 3HZ LYS 7 3HZ LYS 7 -18.718 0.875 -2.507 54 H LYS 8 H LYS 8 -13.186 5.152 -1.532 55 HA LYS 8 HA LYS 8 -14.252 5.315 -4.229 56 1HB LYS 8 2HB LYS 8 -15.106 6.735 -2.390 57 2HB LYS 8 1HB LYS 8 -13.535 7.529 -2.280 58 1HG LYS 8 2HG LYS 8 -14.136 8.950 -3.913 59 2HG LYS 8 1HG LYS 8 -14.357 7.591 -5.015 60 1HD LYS 8 2HD LYS 8 -16.589 7.863 -4.944 61 2HD LYS 8 1HD LYS 8 -16.575 7.678 -3.189 62 1HE LYS 8 2HE LYS 8 -15.778 10.138 -3.133 63 2HE LYS 8 1HE LYS 8 -16.319 10.211 -4.808 64 1HZ LYS 8 1HZ LYS 8 -18.468 9.182 -3.846 65 2HZ LYS 8 2HZ LYS 8 -18.188 10.847 -3.662 66 3HZ LYS 8 3HZ LYS 8 -17.903 9.787 -2.365 67 H ILE 9 H ILE 9 -11.286 6.494 -2.647 68 HA ILE 9 HA ILE 9 -10.239 7.690 -5.064 69 HB ILE 9 HB ILE 9 -9.200 7.114 -2.314 70 1HG1 ILE 9 2HG1 ILE 9 -8.473 9.640 -2.986 71 2HG1 ILE 9 1HG1 ILE 9 -9.854 9.424 -4.062 72 1HG2 ILE 9 1HG2 ILE 9 -7.492 7.719 -4.741 73 2HG2 ILE 9 2HG2 ILE 9 -7.290 6.409 -3.578 74 3HG2 ILE 9 3HG2 ILE 9 -6.968 8.074 -3.095 75 1HD1 ILE 9 1HD1 ILE 9 -9.893 8.917 -1.072 76 2HD1 ILE 9 2HD1 ILE 9 -11.270 8.794 -2.167 77 3HD1 ILE 9 3HD1 ILE 9 -10.525 10.362 -1.859 78 H PHE 10 H PHE 10 -8.975 4.840 -3.247 79 HA PHE 10 HA PHE 10 -7.254 3.866 -5.197 80 1HB PHE 10 2HB PHE 10 -7.625 2.832 -2.928 81 2HB PHE 10 1HB PHE 10 -9.086 2.081 -3.573 82 HD1 PHE 10 HD1 PHE 10 -5.530 1.800 -3.237 83 HD2 PHE 10 HD2 PHE 10 -8.836 0.649 -5.731 84 HE1 PHE 10 HE1 PHE 10 -4.159 -0.017 -4.223 85 HE2 PHE 10 HE2 PHE 10 -7.454 -1.170 -6.714 86 HZ PHE 10 HZ PHE 10 -5.127 -1.501 -5.962 87 H ILE 11 H ILE 11 -10.784 3.385 -5.054 88 HA ILE 11 HA ILE 11 -10.939 1.592 -7.271 89 HB ILE 11 HB ILE 11 -12.893 3.506 -6.004 90 1HG1 ILE 11 2HG1 ILE 11 -12.375 1.389 -4.852 91 2HG1 ILE 11 1HG1 ILE 11 -14.031 1.368 -5.458 92 1HG2 ILE 11 1HG2 ILE 11 -13.031 2.304 -8.685 93 2HG2 ILE 11 2HG2 ILE 11 -14.003 3.596 -7.984 94 3HG2 ILE 11 3HG2 ILE 11 -14.416 1.912 -7.667 95 1HD1 ILE 11 1HD1 ILE 11 -12.916 0.302 -7.597 96 2HD1 ILE 11 2HD1 ILE 11 -13.270 -0.705 -6.192 97 3HD1 ILE 11 3HD1 ILE 11 -11.630 -0.117 -6.466 98 H MET 12 H MET 12 -11.004 5.149 -7.119 99 HA MET 12 HA MET 12 -10.922 5.176 -10.102 100 1HB MET 12 2HB MET 12 -11.910 7.299 -10.058 101 2HB MET 12 1HB MET 12 -12.690 6.499 -8.695 102 1HG MET 12 2HG MET 12 -10.684 7.487 -7.316 103 2HG MET 12 1HG MET 12 -10.540 8.603 -8.674 104 1HE MET 12 1HE MET 12 -12.244 11.170 -6.704 105 2HE MET 12 2HE MET 12 -10.817 10.540 -7.525 106 3HE MET 12 3HE MET 12 -11.180 10.023 -5.880 107 H LYS 13 H LYS 13 -8.653 4.784 -8.033 108 HA LYS 13 HA LYS 13 -6.910 6.939 -9.156 109 1HB LYS 13 2HB LYS 13 -7.552 6.889 -6.554 110 2HB LYS 13 1HB LYS 13 -6.217 5.736 -6.517 111 1HG LYS 13 2HG LYS 13 -5.076 7.745 -6.220 112 2HG LYS 13 1HG LYS 13 -4.992 7.561 -7.971 113 1HD LYS 13 2HD LYS 13 -7.356 8.847 -7.789 114 2HD LYS 13 1HD LYS 13 -6.569 9.489 -6.345 115 1HE LYS 13 2HE LYS 13 -4.743 9.435 -8.609 116 2HE LYS 13 1HE LYS 13 -6.189 10.378 -8.971 117 1HZ LYS 13 1HZ LYS 13 -4.356 11.643 -7.886 118 2HZ LYS 13 2HZ LYS 13 -4.601 10.707 -6.488 119 3HZ LYS 13 3HZ LYS 13 -5.840 11.719 -7.067 120 H CYS 14 H CYS 14 -6.590 3.820 -7.392 121 HA CYS 14 HA CYS 14 -4.461 3.122 -9.370 122 1HB CYS 14 2HB CYS 14 -4.722 1.670 -6.767 123 2HB CYS 14 1HB CYS 14 -3.277 2.015 -7.714 124 H SER 15 H SER 15 -7.633 2.519 -8.881 125 HA SER 15 HA SER 15 -7.513 -0.417 -9.212 126 1HB SER 15 2HB SER 15 -9.326 0.991 -7.923 127 2HB SER 15 1HB SER 15 -10.028 1.188 -9.525 128 HG SER 15 HG SER 15 -9.304 -1.295 -8.349 129 H GLN 16 H GLN 16 -6.408 1.458 -11.211 130 HA GLN 16 HA GLN 16 -8.141 0.878 -13.564 131 1HB GLN 16 2HB GLN 16 -6.547 3.144 -12.821 132 2HB GLN 16 1HB GLN 16 -5.829 2.421 -14.262 133 1HG GLN 16 2HG GLN 16 -8.788 2.670 -14.268 134 2HG GLN 16 1HG GLN 16 -7.883 4.179 -14.371 135 1HE2 GLN 16 1HE2 GLN 16 -9.269 3.608 -16.644 136 2HE2 GLN 16 2HE2 GLN 16 -8.249 3.012 -17.863 137 H CYS 17 H CYS 17 -4.696 1.033 -12.719 138 HA CYS 17 HA CYS 17 -4.027 -1.080 -14.638 139 1HB CYS 17 2HB CYS 17 -2.520 0.639 -12.682 140 2HB CYS 17 1HB CYS 17 -1.754 -0.826 -13.297 141 H HIS 18 H HIS 18 -4.667 -0.651 -11.227 142 HA HIS 18 HA HIS 18 -4.074 -3.523 -10.713 143 1HB HIS 18 2HB HIS 18 -4.725 -1.309 -8.746 144 2HB HIS 18 1HB HIS 18 -4.271 -2.950 -8.328 145 HD1 HIS 18 HD1 HIS 18 -1.822 -3.540 -8.329 146 HD2 HIS 18 HD2 HIS 18 -2.550 0.246 -9.900 147 HE1 HIS 18 HE1 HIS 18 0.431 -2.405 -8.535 148 H THR 19 H THR 19 -5.688 -4.460 -9.097 149 HA THR 19 HA THR 19 -8.441 -3.563 -9.183 150 HB THR 19 HB THR 19 -9.238 -5.720 -10.283 151 HG1 THR 19 HG1 THR 19 -6.793 -5.891 -11.572 152 1HG2 THR 19 1HG2 THR 19 -9.246 -4.736 -12.389 153 2HG2 THR 19 2HG2 THR 19 -7.575 -4.192 -12.254 154 3HG2 THR 19 3HG2 THR 19 -8.850 -3.347 -11.377 155 H VAL 20 H VAL 20 -8.262 -3.756 -6.896 156 HA VAL 20 HA VAL 20 -7.335 -6.277 -5.732 157 HB VAL 20 HB VAL 20 -7.565 -5.189 -3.624 158 1HG1 VAL 20 1HG1 VAL 20 -5.762 -4.308 -5.079 159 2HG1 VAL 20 2HG1 VAL 20 -6.384 -3.070 -3.987 160 3HG1 VAL 20 3HG1 VAL 20 -6.868 -3.075 -5.683 161 1HG2 VAL 20 1HG2 VAL 20 -8.762 -2.685 -4.269 162 2HG2 VAL 20 2HG2 VAL 20 -9.397 -3.943 -3.207 163 3HG2 VAL 20 3HG2 VAL 20 -9.807 -3.947 -4.921 164 H GLU 21 H GLU 21 -9.731 -6.495 -7.413 165 HA GLU 21 HA GLU 21 -11.310 -8.141 -5.686 166 1HB GLU 21 2HB GLU 21 -13.314 -6.850 -5.421 167 2HB GLU 21 1HB GLU 21 -11.981 -5.828 -4.884 168 1HG GLU 21 2HG GLU 21 -12.547 -4.281 -6.411 169 2HG GLU 21 1HG GLU 21 -12.298 -5.459 -7.701 170 H LYS 22 H LYS 22 -10.133 -7.914 -8.487 171 HA LYS 22 HA LYS 22 -12.613 -8.306 -10.089 172 1HB LYS 22 2HB LYS 22 -10.733 -6.766 -10.883 173 2HB LYS 22 1HB LYS 22 -9.775 -8.227 -11.132 174 1HG LYS 22 2HG LYS 22 -10.784 -7.840 -13.237 175 2HG LYS 22 1HG LYS 22 -11.793 -9.086 -12.501 176 1HD LYS 22 2HD LYS 22 -12.982 -6.801 -11.561 177 2HD LYS 22 1HD LYS 22 -12.448 -6.286 -13.162 178 1HE LYS 22 2HE LYS 22 -13.535 -8.327 -14.124 179 2HE LYS 22 1HE LYS 22 -14.162 -8.705 -12.521 180 1HZ LYS 22 1HZ LYS 22 -15.770 -7.211 -12.751 181 2HZ LYS 22 2HZ LYS 22 -15.339 -7.089 -14.390 182 3HZ LYS 22 3HZ LYS 22 -14.693 -6.002 -13.256 183 H GLY 23 H GLY 23 -11.784 -10.317 -8.164 184 1HA GLY 23 2HA GLY 23 -12.006 -12.702 -8.341 185 2HA GLY 23 1HA GLY 23 -11.550 -12.593 -10.041 186 H GLY 24 H GLY 24 -9.191 -10.947 -9.575 187 1HA GLY 24 1HA GLY 24 -7.176 -11.308 -8.020 188 2HA GLY 24 2HA GLY 24 -7.449 -13.025 -8.315 189 H LYS 25 H LYS 25 -8.249 -11.499 -11.133 190 HA LYS 25 HA LYS 25 -5.776 -12.362 -12.432 191 1HB LYS 25 2HB LYS 25 -8.051 -12.577 -13.483 192 2HB LYS 25 1HB LYS 25 -8.104 -10.818 -13.615 193 1HG LYS 25 2HG LYS 25 -7.225 -11.323 -15.690 194 2HG LYS 25 1HG LYS 25 -5.728 -11.197 -14.764 195 1HD LYS 25 2HD LYS 25 -7.108 -13.846 -14.818 196 2HD LYS 25 1HD LYS 25 -6.246 -13.339 -16.270 197 1HE LYS 25 2HE LYS 25 -4.419 -12.699 -14.351 198 2HE LYS 25 1HE LYS 25 -5.183 -14.111 -13.620 199 1HZ LYS 25 1HZ LYS 25 -3.246 -14.565 -15.130 200 2HZ LYS 25 2HZ LYS 25 -4.233 -14.077 -16.425 201 3HZ LYS 25 3HZ LYS 25 -4.666 -15.424 -15.483 202 H HIS 26 H HIS 26 -4.111 -11.023 -13.153 203 HA HIS 26 HA HIS 26 -4.472 -8.111 -12.610 204 1HB HIS 26 2HB HIS 26 -1.847 -8.242 -12.413 205 2HB HIS 26 1HB HIS 26 -2.871 -8.637 -11.042 206 HD1 HIS 26 HD1 HIS 26 -2.376 -11.004 -13.948 207 HD2 HIS 26 HD2 HIS 26 -1.123 -10.593 -9.991 208 HE1 HIS 26 HE1 HIS 26 -1.190 -13.156 -13.347 209 H LYS 27 H LYS 27 -4.845 -7.298 -14.624 210 HA LYS 27 HA LYS 27 -3.448 -8.270 -16.980 211 1HB LYS 27 2HB LYS 27 -5.810 -7.026 -16.698 212 2HB LYS 27 1HB LYS 27 -4.804 -5.612 -17.004 213 1HG LYS 27 2HG LYS 27 -5.714 -6.539 -19.108 214 2HG LYS 27 1HG LYS 27 -3.954 -6.642 -19.066 215 1HD LYS 27 2HD LYS 27 -4.045 -8.876 -19.296 216 2HD LYS 27 1HD LYS 27 -5.062 -9.006 -17.859 217 1HE LYS 27 2HE LYS 27 -6.994 -8.248 -19.419 218 2HE LYS 27 1HE LYS 27 -5.906 -8.686 -20.736 219 1HZ LYS 27 1HZ LYS 27 -7.372 -10.374 -18.939 220 2HZ LYS 27 2HZ LYS 27 -5.730 -10.797 -19.044 221 3HZ LYS 27 3HZ LYS 27 -6.686 -10.736 -20.447 222 H THR 28 H THR 28 -3.610 -4.899 -15.799 223 HA THR 28 HA THR 28 -0.796 -4.525 -16.643 224 HB THR 28 HB THR 28 -2.849 -2.561 -15.559 225 HG1 THR 28 HG1 THR 28 -3.474 -2.803 -17.556 226 1HG2 THR 28 1HG2 THR 28 -1.030 -0.989 -16.707 227 2HG2 THR 28 2HG2 THR 28 0.041 -2.323 -16.279 228 3HG2 THR 28 3HG2 THR 28 -0.874 -1.489 -15.022 229 H GLY 29 H GLY 29 -1.966 -2.692 -13.923 230 1HA GLY 29 2HA GLY 29 0.185 -3.306 -12.220 231 2HA GLY 29 1HA GLY 29 -1.383 -2.758 -11.647 232 HA PRO 30 HA PRO 30 -0.624 -7.455 -10.957 233 1HB PRO 30 2HB PRO 30 0.516 -7.402 -8.451 234 2HB PRO 30 1HB PRO 30 1.440 -7.494 -9.959 235 1HG PRO 30 2HG PRO 30 0.967 -5.125 -8.182 236 2HG PRO 30 1HG PRO 30 2.397 -5.535 -9.149 237 1HD PRO 30 2HD PRO 30 0.516 -3.653 -9.920 238 2HD PRO 30 1HD PRO 30 1.559 -4.537 -11.050 239 H ASN 31 H ASN 31 -1.937 -8.702 -9.478 240 HA ASN 31 HA ASN 31 -4.301 -7.382 -8.567 241 1HB ASN 31 2HB ASN 31 -4.501 -9.694 -9.101 242 2HB ASN 31 1HB ASN 31 -3.142 -10.130 -8.063 243 1HD2 ASN 31 1HD2 ASN 31 -6.344 -8.461 -7.717 244 2HD2 ASN 31 2HD2 ASN 31 -6.724 -9.199 -6.236 245 H LEU 32 H LEU 32 -4.006 -5.812 -7.018 246 HA LEU 32 HA LEU 32 -2.185 -6.166 -4.781 247 1HB LEU 32 2HB LEU 32 -3.908 -4.027 -5.849 248 2HB LEU 32 1HB LEU 32 -3.780 -4.040 -4.090 249 HG LEU 32 HG LEU 32 -1.384 -3.885 -4.181 250 1HD1 LEU 32 1HD1 LEU 32 -0.512 -5.150 -5.866 251 2HD1 LEU 32 2HD1 LEU 32 -0.563 -3.628 -6.759 252 3HD1 LEU 32 3HD1 LEU 32 -1.860 -4.808 -6.948 253 1HD2 LEU 32 1HD2 LEU 32 -2.725 -2.070 -6.205 254 2HD2 LEU 32 2HD2 LEU 32 -1.074 -1.826 -5.634 255 3HD2 LEU 32 3HD2 LEU 32 -2.421 -1.731 -4.500 256 H HIS 33 H HIS 33 -3.369 -8.284 -4.151 257 HA HIS 33 HA HIS 33 -5.846 -7.739 -2.594 258 1HB HIS 33 2HB HIS 33 -5.595 -9.716 -4.266 259 2HB HIS 33 1HB HIS 33 -4.605 -10.458 -3.009 260 HD1 HIS 33 HD1 HIS 33 -8.075 -10.003 -4.026 261 HD2 HIS 33 HD2 HIS 33 -6.089 -10.651 -0.419 262 HE1 HIS 33 HE1 HIS 33 -9.831 -10.771 -2.369 263 H GLY 34 H GLY 34 -2.795 -9.576 -2.199 264 1HA GLY 34 2HA GLY 34 -2.942 -8.950 0.720 265 2HA GLY 34 1HA GLY 34 -2.141 -10.374 0.055 266 H LEU 35 H LEU 35 -1.794 -7.349 -1.610 267 HA LEU 35 HA LEU 35 0.965 -7.325 -1.784 268 1HB LEU 35 2HB LEU 35 -0.489 -5.691 -2.934 269 2HB LEU 35 1HB LEU 35 -0.790 -4.881 -1.396 270 HG LEU 35 HG LEU 35 2.053 -5.237 -1.806 271 1HD1 LEU 35 1HD1 LEU 35 0.553 -3.687 -3.942 272 2HD1 LEU 35 2HD1 LEU 35 1.450 -5.184 -4.201 273 3HD1 LEU 35 3HD1 LEU 35 2.305 -3.714 -3.731 274 1HD2 LEU 35 1HD2 LEU 35 2.083 -2.866 -1.311 275 2HD2 LEU 35 2HD2 LEU 35 0.860 -3.617 -0.284 276 3HD2 LEU 35 3HD2 LEU 35 0.373 -2.714 -1.719 277 H PHE 36 H PHE 36 -0.999 -6.221 0.945 278 HA PHE 36 HA PHE 36 1.150 -5.030 2.431 279 1HB PHE 36 2HB PHE 36 -1.562 -6.123 3.152 280 2HB PHE 36 1HB PHE 36 -0.447 -5.611 4.418 281 HD1 PHE 36 HD1 PHE 36 -0.336 -4.001 1.125 282 HD2 PHE 36 HD2 PHE 36 -1.962 -3.774 5.096 283 HE1 PHE 36 HE1 PHE 36 -0.974 -1.637 0.729 284 HE2 PHE 36 HE2 PHE 36 -2.599 -1.413 4.700 285 HZ PHE 36 HZ PHE 36 -2.108 -0.343 2.517 286 H GLY 37 H GLY 37 2.564 -5.950 3.936 287 1HA GLY 37 2HA GLY 37 3.777 -7.639 5.025 288 2HA GLY 37 1HA GLY 37 2.306 -8.612 4.977 289 H ARG 38 H ARG 38 3.321 -7.451 1.920 290 HA ARG 38 HA ARG 38 4.805 -9.974 1.357 291 1HB ARG 38 2HB ARG 38 2.228 -9.865 0.687 292 2HB ARG 38 1HB ARG 38 2.870 -8.970 -0.689 293 1HG ARG 38 2HG ARG 38 4.433 -11.369 -0.074 294 2HG ARG 38 1HG ARG 38 2.756 -11.731 -0.485 295 1HD ARG 38 2HD ARG 38 4.784 -10.218 -2.139 296 2HD ARG 38 1HD ARG 38 3.932 -11.702 -2.563 297 HE ARG 38 HE ARG 38 1.839 -10.036 -2.315 298 1HH1 ARG 38 1HH2 ARG 38 2.909 -10.558 -5.046 299 2HH1 ARG 38 2HH2 ARG 38 3.258 -8.961 -5.618 300 1HH2 ARG 38 1HH1 ARG 38 3.174 -7.522 -2.469 301 2HH2 ARG 38 2HH1 ARG 38 3.409 -7.244 -4.162 302 H LYS 39 H LYS 39 6.443 -9.731 -0.180 303 HA LYS 39 HA LYS 39 7.214 -6.967 -0.774 304 1HB LYS 39 2HB LYS 39 9.211 -8.047 -1.835 305 2HB LYS 39 1HB LYS 39 8.969 -8.530 -0.157 306 1HG LYS 39 2HG LYS 39 7.464 -10.381 -1.591 307 2HG LYS 39 1HG LYS 39 8.909 -10.162 -2.579 308 1HD LYS 39 2HD LYS 39 10.322 -10.565 -0.583 309 2HD LYS 39 1HD LYS 39 8.868 -10.833 0.378 310 1HE LYS 39 2HE LYS 39 8.569 -12.488 -1.871 311 2HE LYS 39 1HE LYS 39 10.254 -12.671 -1.386 312 1HZ LYS 39 1HZ LYS 39 8.148 -13.933 -0.246 313 2HZ LYS 39 2HZ LYS 39 8.423 -12.646 0.828 314 3HZ LYS 39 3HZ LYS 39 9.674 -13.738 0.467 315 H THR 40 H THR 40 8.321 -7.018 -3.252 316 HA THR 40 HA THR 40 5.923 -7.226 -4.977 317 HB THR 40 HB THR 40 8.528 -6.225 -6.027 318 HG1 THR 40 HG1 THR 40 8.693 -4.751 -4.568 319 1HG2 THR 40 1HG2 THR 40 6.378 -4.429 -6.404 320 2HG2 THR 40 2HG2 THR 40 5.712 -6.049 -6.621 321 3HG2 THR 40 3HG2 THR 40 7.083 -5.520 -7.597 322 H GLY 41 H GLY 41 6.757 -7.780 -7.426 323 1HA GLY 41 1HA GLY 41 7.263 -9.606 -8.819 324 2HA GLY 41 2HA GLY 41 8.768 -9.675 -7.901 325 H GLN 42 H GLN 42 5.706 -11.187 -8.437 326 HA GLN 42 HA GLN 42 6.543 -13.451 -6.764 327 1HB GLN 42 2HB GLN 42 4.933 -11.486 -5.590 328 2HB GLN 42 1HB GLN 42 3.815 -12.777 -6.026 329 1HG GLN 42 2HG GLN 42 4.668 -13.243 -3.805 330 2HG GLN 42 1HG GLN 42 5.375 -14.411 -4.923 331 1HE2 GLN 42 1HE2 GLN 42 6.205 -11.010 -4.018 332 2HE2 GLN 42 2HE2 GLN 42 7.843 -11.341 -3.714 333 H ALA 43 H ALA 43 3.282 -12.449 -7.785 334 HA ALA 43 HA ALA 43 2.350 -14.836 -8.747 335 1HB ALA 43 1HB ALA 43 1.888 -12.416 -10.460 336 2HB ALA 43 2HB ALA 43 1.295 -12.425 -8.800 337 3HB ALA 43 3HB ALA 43 0.739 -13.648 -9.942 338 HA PRO 44 HA PRO 44 5.068 -15.883 -12.089 339 1HB PRO 44 2HB PRO 44 3.624 -18.046 -12.982 340 2HB PRO 44 1HB PRO 44 4.658 -18.088 -11.542 341 1HG PRO 44 2HG PRO 44 1.681 -17.983 -11.715 342 2HG PRO 44 1HG PRO 44 2.708 -18.654 -10.438 343 1HD PRO 44 2HD PRO 44 1.382 -16.160 -10.346 344 2HD PRO 44 1HD PRO 44 2.682 -16.689 -9.256 345 H GLY 45 H GLY 45 5.058 -15.738 -14.415 346 1HA GLY 45 2HA GLY 45 4.102 -15.317 -16.559 347 2HA GLY 45 1HA GLY 45 2.509 -15.230 -15.802 348 H TYR 46 H TYR 46 2.719 -13.315 -13.940 349 HA TYR 46 HA TYR 46 3.349 -10.887 -15.532 350 1HB TYR 46 2HB TYR 46 1.066 -11.058 -14.626 351 2HB TYR 46 1HB TYR 46 1.709 -11.260 -13.002 352 HD1 TYR 46 HD1 TYR 46 -0.024 -9.200 -12.847 353 HD2 TYR 46 HD2 TYR 46 3.846 -9.019 -14.675 354 HE1 TYR 46 HE1 TYR 46 -0.013 -6.746 -12.576 355 HE2 TYR 46 HE2 TYR 46 3.857 -6.561 -14.410 356 HH TYR 46 HH TYR 46 2.165 -4.737 -14.176 357 H SER 47 H SER 47 5.707 -11.522 -14.986 358 HA SER 47 HA SER 47 6.649 -11.213 -12.274 359 1HB SER 47 2HB SER 47 8.879 -10.730 -13.533 360 2HB SER 47 1HB SER 47 8.165 -12.331 -13.693 361 HG SER 47 HG SER 47 7.380 -10.333 -15.483 362 H TYR 48 H TYR 48 5.899 -9.303 -11.372 363 HA TYR 48 HA TYR 48 5.617 -6.816 -12.640 364 1HB TYR 48 2HB TYR 48 6.563 -7.010 -9.793 365 2HB TYR 48 1HB TYR 48 5.420 -5.868 -10.501 366 HD1 TYR 48 HD1 TYR 48 3.990 -8.103 -12.180 367 HD2 TYR 48 HD2 TYR 48 5.013 -7.702 -8.054 368 HE1 TYR 48 HE1 TYR 48 2.123 -9.614 -11.557 369 HE2 TYR 48 HE2 TYR 48 3.155 -9.201 -7.452 370 HH TYR 48 HH TYR 48 1.487 -10.448 -8.162 371 H THR 49 H THR 49 7.097 -4.863 -11.637 372 HA THR 49 HA THR 49 9.547 -4.977 -13.070 373 HB THR 49 HB THR 49 8.523 -2.837 -12.563 374 HG1 THR 49 HG1 THR 49 10.976 -3.306 -12.340 375 1HG2 THR 49 1HG2 THR 49 8.291 -4.017 -9.940 376 2HG2 THR 49 2HG2 THR 49 7.493 -2.582 -10.583 377 3HG2 THR 49 3HG2 THR 49 9.080 -2.444 -9.827 378 H ALA 50 H ALA 50 10.612 -6.896 -12.353 379 HA ALA 50 HA ALA 50 11.228 -7.881 -9.889 380 1HB ALA 50 1HB ALA 50 12.189 -8.596 -12.159 381 2HB ALA 50 2HB ALA 50 13.273 -8.730 -10.773 382 3HB ALA 50 3HB ALA 50 13.435 -7.377 -11.892 383 H ALA 51 H ALA 51 12.455 -4.904 -11.277 384 HA ALA 51 HA ALA 51 14.569 -4.230 -9.614 385 1HB ALA 51 1HB ALA 51 13.801 -2.729 -11.374 386 2HB ALA 51 2HB ALA 51 13.808 -1.862 -9.842 387 3HB ALA 51 3HB ALA 51 12.289 -2.444 -10.515 388 H ASN 52 H ASN 52 11.176 -3.291 -8.871 389 HA ASN 52 HA ASN 52 11.493 -2.403 -6.275 390 1HB ASN 52 2HB ASN 52 9.332 -3.103 -7.849 391 2HB ASN 52 1HB ASN 52 9.220 -4.250 -6.513 392 1HD2 ASN 52 1HD2 ASN 52 10.255 -2.634 -4.401 393 2HD2 ASN 52 2HD2 ASN 52 9.186 -1.342 -4.137 394 H LYS 53 H LYS 53 10.928 -5.825 -7.189 395 HA LYS 53 HA LYS 53 11.105 -6.983 -4.647 396 1HB LYS 53 2HB LYS 53 10.587 -8.254 -6.713 397 2HB LYS 53 1HB LYS 53 12.271 -8.095 -7.219 398 1HG LYS 53 2HG LYS 53 12.575 -9.083 -4.688 399 2HG LYS 53 1HG LYS 53 11.077 -9.872 -5.184 400 1HD LYS 53 2HD LYS 53 13.693 -9.903 -6.719 401 2HD LYS 53 1HD LYS 53 13.007 -11.252 -5.815 402 1HE LYS 53 2HE LYS 53 11.059 -11.297 -7.291 403 2HE LYS 53 1HE LYS 53 11.661 -9.886 -8.162 404 1HZ LYS 53 1HZ LYS 53 13.188 -11.098 -9.253 405 2HZ LYS 53 2HZ LYS 53 12.139 -12.389 -8.913 406 3HZ LYS 53 3HZ LYS 53 13.502 -12.119 -7.936 407 H ASN 54 H ASN 54 13.764 -6.081 -6.826 408 HA ASN 54 HA ASN 54 15.877 -7.107 -5.233 409 1HB ASN 54 2HB ASN 54 16.067 -6.328 -7.625 410 2HB ASN 54 1HB ASN 54 15.991 -4.670 -7.028 411 1HD2 ASN 54 1HD2 ASN 54 18.245 -4.414 -7.902 412 2HD2 ASN 54 2HD2 ASN 54 19.556 -5.002 -6.997 413 H LYS 55 H LYS 55 14.321 -3.894 -5.270 414 HA LYS 55 HA LYS 55 16.003 -2.560 -3.476 415 1HB LYS 55 2HB LYS 55 13.948 -1.613 -4.613 416 2HB LYS 55 1HB LYS 55 12.978 -2.416 -3.377 417 1HG LYS 55 2HG LYS 55 13.282 -0.275 -2.467 418 2HG LYS 55 1HG LYS 55 14.564 -1.207 -1.692 419 1HD LYS 55 2HD LYS 55 15.260 0.009 -4.307 420 2HD LYS 55 1HD LYS 55 15.006 1.142 -2.978 421 1HE LYS 55 2HE LYS 55 17.039 0.636 -2.166 422 2HE LYS 55 1HE LYS 55 16.535 -1.042 -1.965 423 1HZ LYS 55 1HZ LYS 55 18.457 -0.169 -3.662 424 2HZ LYS 55 2HZ LYS 55 17.115 -0.346 -4.689 425 3HZ LYS 55 3HZ LYS 55 17.663 -1.663 -3.765 426 H GLY 56 H GLY 56 13.938 -5.286 -2.878 427 1HA GLY 56 1HA GLY 56 13.669 -6.581 -0.935 428 2HA GLY 56 2HA GLY 56 15.033 -5.693 -0.247 429 H ILE 57 H ILE 57 11.877 -4.555 -1.421 430 HA ILE 57 HA ILE 57 11.525 -3.168 1.197 431 HB ILE 57 HB ILE 57 11.479 -1.890 -1.014 432 1HG1 ILE 57 2HG1 ILE 57 10.507 -1.071 1.163 433 2HG1 ILE 57 1HG1 ILE 57 9.703 -0.423 -0.267 434 1HG2 ILE 57 1HG2 ILE 57 9.732 -2.169 -2.515 435 2HG2 ILE 57 2HG2 ILE 57 8.653 -2.849 -1.298 436 3HG2 ILE 57 3HG2 ILE 57 9.953 -3.832 -1.970 437 1HD1 ILE 57 1HD1 ILE 57 8.273 -2.731 0.193 438 2HD1 ILE 57 2HD1 ILE 57 7.790 -1.124 0.728 439 3HD1 ILE 57 3HD1 ILE 57 8.651 -2.200 1.832 440 H ILE 58 H ILE 58 10.083 -4.008 2.601 441 HA ILE 58 HA ILE 58 8.184 -6.072 1.675 442 HB ILE 58 HB ILE 58 9.226 -6.641 3.740 443 1HG1 ILE 58 2HG1 ILE 58 7.385 -6.811 5.263 444 2HG1 ILE 58 1HG1 ILE 58 6.631 -5.354 4.619 445 1HG2 ILE 58 1HG2 ILE 58 10.249 -4.756 4.594 446 2HG2 ILE 58 2HG2 ILE 58 8.865 -4.851 5.682 447 3HG2 ILE 58 3HG2 ILE 58 8.839 -3.734 4.317 448 1HD1 ILE 58 1HD1 ILE 58 6.304 -6.497 2.445 449 2HD1 ILE 58 2HD1 ILE 58 5.490 -7.351 3.755 450 3HD1 ILE 58 3HD1 ILE 58 7.019 -7.960 3.121 451 H TRP 59 H TRP 59 6.525 -5.058 0.595 452 HA TRP 59 HA TRP 59 5.484 -2.552 0.826 453 1HB TRP 59 2HB TRP 59 3.955 -5.130 0.446 454 2HB TRP 59 1HB TRP 59 3.247 -3.533 0.206 455 HD1 TRP 59 HD1 TRP 59 4.263 -6.015 -1.931 456 HE1 TRP 59 HE1 TRP 59 5.490 -5.191 -4.042 457 HE3 TRP 59 HE3 TRP 59 5.557 -1.291 -0.428 458 HZ2 TRP 59 HZ2 TRP 59 6.838 -2.854 -4.970 459 HZ3 TRP 59 HZ3 TRP 59 6.813 0.199 -1.952 460 HH2 TRP 59 HH2 TRP 59 7.454 -0.573 -4.217 461 H GLY 60 H GLY 60 4.887 -1.387 2.518 462 1HA GLY 60 1HA GLY 60 3.025 -2.534 4.509 463 2HA GLY 60 2HA GLY 60 4.556 -1.909 5.125 464 H GLU 61 H GLU 61 3.383 -0.230 6.276 465 HA GLU 61 HA GLU 61 1.738 1.672 4.804 466 1HB GLU 61 2HB GLU 61 2.964 1.885 7.573 467 2HB GLU 61 1HB GLU 61 1.710 2.938 6.916 468 1HG GLU 61 2HG GLU 61 0.083 1.261 6.970 469 2HG GLU 61 1HG GLU 61 1.278 -0.036 6.966 470 H ASP 62 H ASP 62 4.606 2.410 6.786 471 HA ASP 62 HA ASP 62 5.265 4.757 5.312 472 1HB ASP 62 2HB ASP 62 6.031 4.340 7.620 473 2HB ASP 62 1HB ASP 62 7.054 3.025 7.039 474 H THR 63 H THR 63 6.313 1.395 4.966 475 HA THR 63 HA THR 63 8.465 1.880 3.153 476 HB THR 63 HB THR 63 7.386 -0.597 2.443 477 HG1 THR 63 HG1 THR 63 5.961 -0.839 3.992 478 1HG2 THR 63 1HG2 THR 63 9.090 -1.160 4.524 479 2HG2 THR 63 2HG2 THR 63 9.584 0.471 4.071 480 3HG2 THR 63 3HG2 THR 63 9.599 -0.820 2.870 481 H LEU 64 H LEU 64 5.116 0.811 2.492 482 HA LEU 64 HA LEU 64 5.317 1.135 -0.351 483 1HB LEU 64 2HB LEU 64 3.491 0.006 1.283 484 2HB LEU 64 1HB LEU 64 2.679 1.538 0.963 485 HG LEU 64 HG LEU 64 3.611 -0.514 -1.055 486 1HD1 LEU 64 1HD1 LEU 64 1.227 -0.550 -1.645 487 2HD1 LEU 64 2HD1 LEU 64 0.899 0.701 -0.446 488 3HD1 LEU 64 3HD1 LEU 64 1.432 -0.899 0.071 489 1HD2 LEU 64 1HD2 LEU 64 4.145 1.753 -1.870 490 2HD2 LEU 64 2HD2 LEU 64 2.499 2.276 -1.512 491 3HD2 LEU 64 3HD2 LEU 64 2.789 1.076 -2.772 492 H MET 65 H MET 65 4.845 3.366 2.255 493 HA MET 65 HA MET 65 3.547 5.463 0.793 494 1HB MET 65 2HB MET 65 3.518 5.617 3.178 495 2HB MET 65 1HB MET 65 5.269 5.440 3.278 496 1HG MET 65 2HG MET 65 5.614 7.609 2.264 497 2HG MET 65 1HG MET 65 3.891 7.772 1.920 498 1HE MET 65 1HE MET 65 4.696 9.904 2.704 499 2HE MET 65 2HE MET 65 5.628 10.135 4.180 500 3HE MET 65 3HE MET 65 3.895 10.452 4.183 501 H GLU 66 H GLU 66 6.905 4.474 1.179 502 HA GLU 66 HA GLU 66 7.992 6.856 -0.050 503 1HB GLU 66 2HB GLU 66 9.105 5.037 1.527 504 2HB GLU 66 1HB GLU 66 9.485 4.267 -0.014 505 1HG GLU 66 2HG GLU 66 10.014 7.168 0.056 506 2HG GLU 66 1HG GLU 66 11.013 6.220 1.158 507 H TYR 67 H TYR 67 7.675 3.453 -1.183 508 HA TYR 67 HA TYR 67 8.547 3.920 -3.833 509 1HB TYR 67 2HB TYR 67 8.225 1.645 -3.160 510 2HB TYR 67 1HB TYR 67 6.539 1.937 -2.735 511 HD1 TYR 67 HD1 TYR 67 5.377 0.471 -4.209 512 HD2 TYR 67 HD2 TYR 67 8.367 3.137 -5.763 513 HE1 TYR 67 HE1 TYR 67 4.672 -0.085 -6.518 514 HE2 TYR 67 HE2 TYR 67 7.659 2.578 -8.070 515 HH TYR 67 HH TYR 67 6.376 0.292 -9.095 516 H LEU 68 H LEU 68 5.357 4.423 -2.371 517 HA LEU 68 HA LEU 68 4.128 5.130 -4.917 518 1HB LEU 68 2HB LEU 68 3.165 4.456 -2.399 519 2HB LEU 68 1HB LEU 68 2.787 6.174 -2.542 520 HG LEU 68 HG LEU 68 1.933 5.572 -4.916 521 1HD1 LEU 68 1HD1 LEU 68 2.959 3.233 -4.722 522 2HD1 LEU 68 2HD1 LEU 68 1.294 3.307 -5.299 523 3HD1 LEU 68 3HD1 LEU 68 1.631 2.853 -3.628 524 1HD2 LEU 68 1HD2 LEU 68 -0.158 5.657 -4.023 525 2HD2 LEU 68 2HD2 LEU 68 0.699 5.877 -2.497 526 3HD2 LEU 68 3HD2 LEU 68 0.132 4.275 -2.969 527 H GLU 69 H GLU 69 5.818 6.828 -2.365 528 HA GLU 69 HA GLU 69 4.947 9.476 -2.925 529 1HB GLU 69 2HB GLU 69 6.569 8.490 -1.079 530 2HB GLU 69 1HB GLU 69 7.812 8.886 -2.259 531 1HG GLU 69 2HG GLU 69 5.918 11.066 -2.000 532 2HG GLU 69 1HG GLU 69 6.612 10.653 -0.432 533 H ASN 70 H ASN 70 7.048 7.255 -4.516 534 HA ASN 70 HA ASN 70 7.039 8.672 -6.996 535 1HB ASN 70 2HB ASN 70 8.931 9.657 -5.139 536 2HB ASN 70 1HB ASN 70 9.840 8.696 -6.306 537 1HD2 ASN 70 1HD2 ASN 70 6.829 10.518 -6.963 538 2HD2 ASN 70 2HD2 ASN 70 7.532 11.581 -8.083 539 HA PRO 71 HA PRO 71 8.066 4.285 -7.347 540 1HB PRO 71 2HB PRO 71 6.820 4.003 -9.796 541 2HB PRO 71 1HB PRO 71 5.975 3.877 -8.244 542 1HG PRO 71 2HG PRO 71 5.945 6.108 -10.222 543 2HG PRO 71 1HG PRO 71 4.721 5.650 -9.027 544 1HD PRO 71 2HD PRO 71 6.541 7.794 -8.771 545 2HD PRO 71 1HD PRO 71 5.569 7.097 -7.463 546 H LYS 72 H LYS 72 8.577 6.941 -9.573 547 HA LYS 72 HA LYS 72 10.456 5.505 -11.259 548 1HB LYS 72 2HB LYS 72 9.049 7.527 -11.953 549 2HB LYS 72 1HB LYS 72 10.182 8.504 -11.020 550 1HG LYS 72 2HG LYS 72 12.048 7.716 -12.379 551 2HG LYS 72 1HG LYS 72 10.980 6.624 -13.261 552 1HD LYS 72 2HD LYS 72 10.778 8.332 -14.741 553 2HD LYS 72 1HD LYS 72 9.686 9.034 -13.547 554 1HE LYS 72 2HE LYS 72 12.532 9.520 -12.982 555 2HE LYS 72 1HE LYS 72 11.969 10.250 -14.486 556 1HZ LYS 72 1HZ LYS 72 11.200 11.864 -13.177 557 2HZ LYS 72 2HZ LYS 72 11.331 10.926 -11.766 558 3HZ LYS 72 3HZ LYS 72 9.960 10.785 -12.759 559 H LYS 73 H LYS 73 10.593 7.169 -8.232 560 HA LYS 73 HA LYS 73 13.547 7.466 -8.455 561 1HB LYS 73 2HB LYS 73 13.444 9.043 -6.780 562 2HB LYS 73 1HB LYS 73 11.801 9.204 -7.391 563 1HG LYS 73 2HG LYS 73 11.389 8.965 -5.116 564 2HG LYS 73 1HG LYS 73 11.298 7.283 -5.638 565 1HD LYS 73 2HD LYS 73 13.332 6.729 -4.687 566 2HD LYS 73 1HD LYS 73 13.977 8.362 -4.863 567 1HE LYS 73 2HE LYS 73 11.811 8.690 -3.143 568 2HE LYS 73 1HE LYS 73 12.541 7.175 -2.615 569 1HZ LYS 73 1HZ LYS 73 14.383 8.209 -1.911 570 2HZ LYS 73 2HZ LYS 73 13.405 9.599 -1.885 571 3HZ LYS 73 3HZ LYS 73 14.417 9.291 -3.215 572 H TYR 74 H TYR 74 11.070 5.584 -6.843 573 HA TYR 74 HA TYR 74 12.962 4.306 -5.008 574 1HB TYR 74 2HB TYR 74 10.363 4.646 -4.741 575 2HB TYR 74 1HB TYR 74 10.266 3.163 -5.690 576 HD1 TYR 74 HD1 TYR 74 9.781 1.384 -4.253 577 HD2 TYR 74 HD2 TYR 74 12.692 4.315 -3.073 578 HE1 TYR 74 HE1 TYR 74 10.305 0.049 -2.229 579 HE2 TYR 74 HE2 TYR 74 13.216 2.980 -1.049 580 HH TYR 74 HH TYR 74 11.604 1.061 0.355 581 H ILE 75 H ILE 75 10.811 2.836 -7.458 582 HA ILE 75 HA ILE 75 12.774 0.723 -7.915 583 HB ILE 75 HB ILE 75 10.338 1.026 -9.610 584 1HG1 ILE 75 2HG1 ILE 75 9.419 1.692 -7.467 585 2HG1 ILE 75 1HG1 ILE 75 8.968 0.012 -7.745 586 1HG2 ILE 75 1HG2 ILE 75 10.971 -1.404 -8.050 587 2HG2 ILE 75 2HG2 ILE 75 12.179 -0.918 -9.241 588 3HG2 ILE 75 3HG2 ILE 75 10.519 -1.241 -9.747 589 1HD1 ILE 75 1HD1 ILE 75 9.753 -0.002 -5.526 590 2HD1 ILE 75 2HD1 ILE 75 11.074 1.106 -5.889 591 3HD1 ILE 75 3HD1 ILE 75 11.143 -0.563 -6.454 592 HA PRO 76 HA PRO 76 14.472 3.250 -11.200 593 1HB PRO 76 2HB PRO 76 16.483 1.484 -11.853 594 2HB PRO 76 1HB PRO 76 16.571 2.621 -10.495 595 1HG PRO 76 2HG PRO 76 16.065 -0.326 -10.451 596 2HG PRO 76 1HG PRO 76 16.840 0.698 -9.231 597 1HD PRO 76 2HD PRO 76 14.204 -0.247 -9.090 598 2HD PRO 76 1HD PRO 76 14.849 1.123 -8.163 599 H GLY 77 H GLY 77 12.485 2.804 -12.481 600 1HA GLY 77 2HA GLY 77 12.169 2.242 -14.881 601 2HA GLY 77 1HA GLY 77 12.988 0.714 -14.557 602 H THR 78 H THR 78 10.666 1.988 -12.251 603 HA THR 78 HA THR 78 9.151 -0.311 -11.970 604 HB THR 78 HB THR 78 8.846 1.844 -10.666 605 HG1 THR 78 HG1 THR 78 6.480 1.520 -10.612 606 1HG2 THR 78 1HG2 THR 78 7.188 2.542 -13.108 607 2HG2 THR 78 2HG2 THR 78 8.632 3.387 -12.551 608 3HG2 THR 78 3HG2 THR 78 7.156 3.431 -11.586 609 H LYS 79 H LYS 79 7.002 -0.892 -12.844 610 HA LYS 79 HA LYS 79 6.918 -0.370 -15.763 611 1HB LYS 79 2HB LYS 79 5.996 -2.547 -13.986 612 2HB LYS 79 1HB LYS 79 4.864 -2.123 -15.270 613 1HG LYS 79 2HG LYS 79 7.797 -2.789 -15.664 614 2HG LYS 79 1HG LYS 79 6.444 -3.863 -16.025 615 1HD LYS 79 2HD LYS 79 5.568 -1.964 -17.531 616 2HD LYS 79 1HD LYS 79 7.181 -1.268 -17.381 617 1HE LYS 79 2HE LYS 79 6.808 -4.144 -18.201 618 2HE LYS 79 1HE LYS 79 6.734 -2.842 -19.388 619 1HZ LYS 79 1HZ LYS 79 9.003 -4.016 -18.206 620 2HZ LYS 79 2HZ LYS 79 8.952 -2.371 -17.782 621 3HZ LYS 79 3HZ LYS 79 8.932 -2.830 -19.418 622 H MET 80 H MET 80 5.710 1.071 -13.054 623 HA MET 80 HA MET 80 3.189 1.826 -14.473 624 1HB MET 80 2HB MET 80 2.043 1.923 -12.447 625 2HB MET 80 1HB MET 80 3.136 0.579 -12.168 626 1HG MET 80 2HG MET 80 4.664 2.018 -10.982 627 2HG MET 80 1HG MET 80 3.661 3.414 -11.324 628 1HE MET 80 1HE MET 80 3.259 4.339 -9.601 629 2HE MET 80 2HE MET 80 3.054 3.700 -7.973 630 3HE MET 80 3HE MET 80 1.636 4.068 -8.951 631 H ILE 81 H ILE 81 3.258 3.846 -15.248 632 HA ILE 81 HA ILE 81 5.263 5.746 -14.199 633 HB ILE 81 HB ILE 81 3.262 6.242 -16.416 634 1HG1 ILE 81 2HG1 ILE 81 4.441 4.155 -16.930 635 2HG1 ILE 81 1HG1 ILE 81 5.053 5.449 -17.960 636 1HG2 ILE 81 1HG2 ILE 81 5.618 7.471 -17.063 637 2HG2 ILE 81 2HG2 ILE 81 5.653 7.575 -15.303 638 3HG2 ILE 81 3HG2 ILE 81 4.297 8.260 -16.199 639 1HD1 ILE 81 1HD1 ILE 81 6.967 4.255 -17.117 640 2HD1 ILE 81 2HD1 ILE 81 6.350 4.322 -15.466 641 3HD1 ILE 81 3HD1 ILE 81 6.899 5.797 -16.262 642 H PHE 82 H PHE 82 3.415 5.233 -12.264 643 HA PHE 82 HA PHE 82 1.077 6.851 -12.248 644 1HB PHE 82 2HB PHE 82 1.652 5.052 -10.588 645 2HB PHE 82 1HB PHE 82 2.821 6.156 -9.868 646 HD1 PHE 82 HD1 PHE 82 2.058 7.205 -7.933 647 HD2 PHE 82 HD2 PHE 82 -0.722 6.387 -11.105 648 HE1 PHE 82 HE1 PHE 82 0.237 8.240 -6.606 649 HE2 PHE 82 HE2 PHE 82 -2.541 7.422 -9.778 650 HZ PHE 82 HZ PHE 82 -2.061 8.345 -7.528 651 H VAL 83 H VAL 83 0.736 8.959 -11.296 652 HA VAL 83 HA VAL 83 2.981 10.783 -11.771 653 HB VAL 83 HB VAL 83 0.628 11.341 -12.413 654 1HG1 VAL 83 1HG1 VAL 83 -0.029 12.083 -9.619 655 2HG1 VAL 83 2HG1 VAL 83 -0.051 10.356 -9.974 656 3HG1 VAL 83 3HG1 VAL 83 -1.075 11.459 -10.894 657 1HG2 VAL 83 1HG2 VAL 83 1.496 13.316 -10.318 658 2HG2 VAL 83 2HG2 VAL 83 0.885 13.617 -11.945 659 3HG2 VAL 83 3HG2 VAL 83 2.529 13.023 -11.717 660 H GLY 84 H GLY 84 2.522 8.814 -9.290 661 1HA GLY 84 2HA GLY 84 3.103 8.858 -7.017 662 2HA GLY 84 1HA GLY 84 4.177 10.183 -7.467 663 H ILE 85 H ILE 85 2.997 10.309 -5.003 664 HA ILE 85 HA ILE 85 0.856 12.366 -5.381 665 HB ILE 85 HB ILE 85 1.221 10.771 -2.852 666 1HG1 ILE 85 2HG1 ILE 85 -0.877 9.541 -4.073 667 2HG1 ILE 85 1HG1 ILE 85 0.149 9.878 -5.469 668 1HG2 ILE 85 1HG2 ILE 85 -0.975 11.482 -2.373 669 2HG2 ILE 85 2HG2 ILE 85 -1.319 11.853 -4.063 670 3HG2 ILE 85 3HG2 ILE 85 -0.244 12.896 -3.132 671 1HD1 ILE 85 1HD1 ILE 85 1.896 8.951 -3.465 672 2HD1 ILE 85 2HD1 ILE 85 1.384 8.081 -4.911 673 3HD1 ILE 85 3HD1 ILE 85 0.495 7.881 -3.401 674 H LYS 86 H LYS 86 0.969 14.199 -3.925 675 HA LYS 86 HA LYS 86 3.594 14.486 -2.525 676 1HB LYS 86 2HB LYS 86 2.234 16.405 -4.420 677 2HB LYS 86 1HB LYS 86 3.431 16.954 -3.245 678 1HG LYS 86 2HG LYS 86 5.090 15.403 -4.170 679 2HG LYS 86 1HG LYS 86 3.896 14.783 -5.312 680 1HD LYS 86 2HD LYS 86 4.773 17.682 -5.185 681 2HD LYS 86 1HD LYS 86 5.439 16.497 -6.310 682 1HE LYS 86 2HE LYS 86 2.847 16.088 -6.820 683 2HE LYS 86 1HE LYS 86 2.733 17.758 -6.263 684 1HZ LYS 86 1HZ LYS 86 3.115 17.883 -8.555 685 2HZ LYS 86 2HZ LYS 86 4.322 16.689 -8.518 686 3HZ LYS 86 3HZ LYS 86 4.619 18.222 -7.850 687 H LYS 87 H LYS 87 0.494 14.121 -1.930 688 HA LYS 87 HA LYS 87 0.406 16.271 0.150 689 1HB LYS 87 2HB LYS 87 -2.163 15.577 0.044 690 2HB LYS 87 1HB LYS 87 -1.493 16.750 -1.088 691 1HG LYS 87 2HG LYS 87 -1.228 15.059 -2.792 692 2HG LYS 87 1HG LYS 87 -1.653 13.779 -1.656 693 1HD LYS 87 2HD LYS 87 -3.695 14.078 -2.708 694 2HD LYS 87 1HD LYS 87 -3.863 15.223 -1.376 695 1HE LYS 87 2HE LYS 87 -2.514 16.623 -3.418 696 2HE LYS 87 1HE LYS 87 -3.815 15.743 -4.221 697 1HZ LYS 87 1HZ LYS 87 -4.999 16.690 -1.980 698 2HZ LYS 87 2HZ LYS 87 -5.105 17.399 -3.520 699 3HZ LYS 87 3HZ LYS 87 -3.957 17.961 -2.400 700 H LYS 88 H LYS 88 0.328 15.574 2.243 701 HA LYS 88 HA LYS 88 0.715 12.800 2.868 702 1HB LYS 88 2HB LYS 88 0.260 15.308 4.435 703 2HB LYS 88 1HB LYS 88 0.054 13.762 5.260 704 1HG LYS 88 2HG LYS 88 2.303 13.086 4.726 705 2HG LYS 88 1HG LYS 88 2.517 14.464 3.643 706 1HD LYS 88 2HD LYS 88 1.949 14.756 6.603 707 2HD LYS 88 1HD LYS 88 3.578 14.740 5.927 708 1HE LYS 88 2HE LYS 88 1.383 16.760 5.474 709 2HE LYS 88 1HE LYS 88 3.027 17.039 6.046 710 1HZ LYS 88 1HZ LYS 88 3.241 17.640 3.875 711 2HZ LYS 88 2HZ LYS 88 2.058 16.552 3.326 712 3HZ LYS 88 3HZ LYS 88 3.608 15.990 3.733 713 H GLU 89 H GLU 89 -2.144 14.861 2.765 714 HA GLU 89 HA GLU 89 -3.942 13.224 4.212 715 1HB GLU 89 2HB GLU 89 -4.218 15.589 3.012 716 2HB GLU 89 1HB GLU 89 -4.908 14.588 1.734 717 1HG GLU 89 2HG GLU 89 -5.798 14.127 4.559 718 2HG GLU 89 1HG GLU 89 -6.442 15.516 3.684 719 H GLU 90 H GLU 90 -3.317 13.239 0.683 720 HA GLU 90 HA GLU 90 -5.001 11.034 0.063 721 1HB GLU 90 2HB GLU 90 -3.241 12.712 -1.342 722 2HB GLU 90 1HB GLU 90 -2.623 11.080 -1.597 723 1HG GLU 90 2HG GLU 90 -5.018 10.400 -2.153 724 2HG GLU 90 1HG GLU 90 -5.398 12.122 -2.195 725 H ARG 91 H ARG 91 -1.574 11.126 1.017 726 HA ARG 91 HA ARG 91 -0.886 8.444 0.581 727 1HB ARG 91 2HB ARG 91 0.776 10.032 1.346 728 2HB ARG 91 1HB ARG 91 -0.093 10.277 2.861 729 1HG ARG 91 2HG ARG 91 0.533 7.459 2.283 730 2HG ARG 91 1HG ARG 91 1.955 8.476 2.513 731 1HD ARG 91 2HD ARG 91 1.350 9.055 4.700 732 2HD ARG 91 1HD ARG 91 -0.351 8.667 4.435 733 HE ARG 91 HE ARG 91 0.670 6.214 4.196 734 1HH1 ARG 91 1HH2 ARG 91 0.931 8.664 6.571 735 2HH1 ARG 91 2HH2 ARG 91 1.737 7.657 7.727 736 1HH2 ARG 91 1HH1 ARG 91 1.980 4.938 5.592 737 2HH2 ARG 91 2HH1 ARG 91 2.331 5.549 7.174 738 H ALA 92 H ALA 92 -2.684 9.860 3.289 739 HA ALA 92 HA ALA 92 -2.828 7.422 4.811 740 1HB ALA 92 1HB ALA 92 -5.083 9.017 5.420 741 2HB ALA 92 2HB ALA 92 -3.767 10.135 5.057 742 3HB ALA 92 3HB ALA 92 -3.568 8.918 6.317 743 H ASP 93 H ASP 93 -4.950 8.931 2.402 744 HA ASP 93 HA ASP 93 -7.126 7.098 2.713 745 1HB ASP 93 2HB ASP 93 -6.572 9.363 1.143 746 2HB ASP 93 1HB ASP 93 -6.861 8.058 -0.009 747 H LEU 94 H LEU 94 -4.107 6.911 0.921 748 HA LEU 94 HA LEU 94 -4.927 4.694 -0.757 749 1HB LEU 94 2HB LEU 94 -2.146 5.613 0.029 750 2HB LEU 94 1HB LEU 94 -2.532 4.505 -1.287 751 HG LEU 94 HG LEU 94 -3.515 7.365 -1.078 752 1HD1 LEU 94 1HD1 LEU 94 -0.982 6.484 -1.777 753 2HD1 LEU 94 2HD1 LEU 94 -1.700 8.018 -2.267 754 3HD1 LEU 94 3HD1 LEU 94 -1.799 6.616 -3.334 755 1HD2 LEU 94 1HD2 LEU 94 -5.006 6.759 -2.653 756 2HD2 LEU 94 2HD2 LEU 94 -4.411 5.100 -2.591 757 3HD2 LEU 94 3HD2 LEU 94 -3.679 6.257 -3.701 758 H ILE 95 H ILE 95 -2.569 4.780 1.946 759 HA ILE 95 HA ILE 95 -2.443 1.947 2.250 760 HB ILE 95 HB ILE 95 -2.100 3.947 4.493 761 1HG1 ILE 95 2HG1 ILE 95 -0.766 4.937 2.836 762 2HG1 ILE 95 1HG1 ILE 95 0.372 3.851 3.631 763 1HG2 ILE 95 1HG2 ILE 95 -0.964 1.221 3.847 764 2HG2 ILE 95 2HG2 ILE 95 -1.921 1.694 5.252 765 3HG2 ILE 95 3HG2 ILE 95 -0.266 2.277 5.077 766 1HD1 ILE 95 1HD1 ILE 95 -1.002 3.522 0.972 767 2HD1 ILE 95 2HD1 ILE 95 -0.397 2.116 1.847 768 3HD1 ILE 95 3HD1 ILE 95 0.715 3.392 1.352 769 H ALA 96 H ALA 96 -4.667 4.331 3.486 770 HA ALA 96 HA ALA 96 -5.879 2.792 5.548 771 1HB ALA 96 1HB ALA 96 -7.882 4.312 5.099 772 2HB ALA 96 2HB ALA 96 -6.923 5.028 3.805 773 3HB ALA 96 3HB ALA 96 -6.363 5.126 5.473 774 H TYR 97 H TYR 97 -6.848 3.176 2.117 775 HA TYR 97 HA TYR 97 -9.090 1.423 2.279 776 1HB TYR 97 2HB TYR 97 -8.924 2.861 0.365 777 2HB TYR 97 1HB TYR 97 -7.340 2.212 -0.059 778 HD1 TYR 97 HD1 TYR 97 -7.156 0.368 -1.495 779 HD2 TYR 97 HD2 TYR 97 -10.920 1.195 0.385 780 HE1 TYR 97 HE1 TYR 97 -8.216 -1.419 -2.847 781 HE2 TYR 97 HE2 TYR 97 -11.989 -0.586 -0.973 782 HH TYR 97 HH TYR 97 -11.092 -2.783 -2.155 783 H LEU 98 H LEU 98 -5.727 0.774 1.241 784 HA LEU 98 HA LEU 98 -6.194 -1.982 0.672 785 1HB LEU 98 2HB LEU 98 -3.775 -0.302 1.184 786 2HB LEU 98 1HB LEU 98 -3.589 -2.052 1.272 787 HG LEU 98 HG LEU 98 -3.126 -1.428 -1.002 788 1HD1 LEU 98 1HD1 LEU 98 -4.840 -3.346 -0.445 789 2HD1 LEU 98 2HD1 LEU 98 -4.604 -2.846 -2.120 790 3HD1 LEU 98 3HD1 LEU 98 -6.002 -2.266 -1.214 791 1HD2 LEU 98 1HD2 LEU 98 -5.350 -0.306 -2.131 792 2HD2 LEU 98 2HD2 LEU 98 -3.961 0.619 -1.563 793 3HD2 LEU 98 3HD2 LEU 98 -5.377 0.431 -0.531 794 H LYS 99 H LYS 99 -5.584 -0.290 3.681 795 HA LYS 99 HA LYS 99 -4.898 -2.597 5.241 796 1HB LYS 99 2HB LYS 99 -5.232 0.171 5.702 797 2HB LYS 99 1HB LYS 99 -6.371 -0.641 6.778 798 1HG LYS 99 2HG LYS 99 -4.264 -2.229 7.198 799 2HG LYS 99 1HG LYS 99 -3.388 -0.771 6.726 800 1HD LYS 99 2HD LYS 99 -3.684 0.004 8.820 801 2HD LYS 99 1HD LYS 99 -5.412 0.101 8.480 802 1HE LYS 99 2HE LYS 99 -5.761 -2.156 9.282 803 2HE LYS 99 1HE LYS 99 -4.023 -2.413 9.444 804 1HZ LYS 99 1HZ LYS 99 -5.850 -1.052 11.206 805 2HZ LYS 99 2HZ LYS 99 -4.425 -0.180 10.898 806 3HZ LYS 99 3HZ LYS 99 -4.342 -1.752 11.537 807 H LYS 100 H LYS 100 -7.966 -1.086 4.333 808 HA LYS 100 HA LYS 100 -9.537 -2.963 5.966 809 1HB LYS 100 2HB LYS 100 -10.004 -0.492 4.515 810 2HB LYS 100 1HB LYS 100 -11.228 -1.697 4.112 811 1HG LYS 100 2HG LYS 100 -12.221 -1.426 6.113 812 2HG LYS 100 1HG LYS 100 -10.702 -1.755 6.949 813 1HD LYS 100 2HD LYS 100 -11.678 0.530 7.421 814 2HD LYS 100 1HD LYS 100 -10.030 0.556 6.790 815 1HE LYS 100 2HE LYS 100 -12.114 0.590 4.707 816 2HE LYS 100 1HE LYS 100 -12.116 2.010 5.752 817 1HZ LYS 100 1HZ LYS 100 -10.312 1.335 3.694 818 2HZ LYS 100 2HZ LYS 100 -9.467 1.443 5.164 819 3HZ LYS 100 3HZ LYS 100 -10.390 2.759 4.614 820 H ALA 101 H ALA 101 -8.202 -2.837 2.804 821 HA ALA 101 HA ALA 101 -10.105 -4.637 1.561 822 1HB ALA 101 1HB ALA 101 -8.198 -2.922 0.600 823 2HB ALA 101 2HB ALA 101 -8.969 -4.189 -0.355 824 3HB ALA 101 3HB ALA 101 -7.402 -4.484 0.398 825 H THR 102 H THR 102 -6.926 -4.971 3.103 826 HA THR 102 HA THR 102 -7.389 -7.925 3.112 827 HB THR 102 HB THR 102 -5.655 -7.143 1.394 828 HG1 THR 102 HG1 THR 102 -5.786 -9.222 2.800 829 1HG2 THR 102 1HG2 THR 102 -4.066 -6.640 3.927 830 2HG2 THR 102 2HG2 THR 102 -4.660 -5.385 2.841 831 3HG2 THR 102 3HG2 THR 102 -3.452 -6.538 2.275 832 H ASN 103 H ASN 103 -5.594 -5.218 4.589 833 HA ASN 103 HA ASN 103 -4.672 -6.668 6.860 834 1HB ASN 103 2HB ASN 103 -4.022 -4.295 5.994 835 2HB ASN 103 1HB ASN 103 -5.360 -3.746 7.002 836 1HD2 ASN 103 1HD2 ASN 103 -2.087 -4.949 7.051 837 2HD2 ASN 103 2HD2 ASN 103 -1.890 -4.926 8.737 838 H GLU 104 HN GLU 104 -7.839 -5.733 6.023 839 HA GLU 104 HA GLU 104 -8.682 -5.952 8.888 840 1HB GLU 104 2HB GLU 104 -9.265 -3.816 7.638 841 2HB GLU 104 1HB GLU 104 -10.312 -4.797 6.612 842 1HG GLU 104 2HG GLU 104 -11.923 -4.833 8.186 843 2HG GLU 104 1HG GLU 104 -10.784 -5.416 9.398 844 HHA HEC 105 HHA HEC 105 3.680 -2.918 -9.229 845 HHB HEC 105 HHB HEC 105 0.887 0.831 -5.002 846 HHC HEC 105 HHC HEC 105 -2.013 3.962 -9.672 847 HHD HEC 105 HHD HEC 105 0.600 0.058 -13.895 848 1HMA HEC 105 1HMA HEC 105 3.175 -0.303 -4.103 849 2HMA HEC 105 2HMA HEC 105 3.239 -2.063 -4.185 850 3HMA HEC 105 3HMA HEC 105 1.691 -1.246 -3.977 851 1HAA HEC 105 1HAA HEC 105 4.151 -3.167 -5.525 852 2HAA HEC 105 2HAA HEC 105 5.005 -2.777 -7.005 853 1HBA HEC 105 1HBA HEC 105 4.390 -4.823 -7.721 854 2HBA HEC 105 2HBA HEC 105 2.770 -4.151 -7.902 855 1HMB HEC 105 1HMB HEC 105 -1.842 2.351 -4.375 856 2HMB HEC 105 2HMB HEC 105 -1.002 3.896 -4.472 857 3HMB HEC 105 3HMB HEC 105 -0.097 2.418 -4.150 858 HAB HEC 105 HAB HEC 105 -2.567 4.865 -7.949 859 1HBB HEC 105 1HBB HEC 105 -2.255 6.533 -6.459 860 2HBB HEC 105 2HBB HEC 105 -0.685 5.734 -6.401 861 3HBB HEC 105 3HBB HEC 105 -1.873 5.440 -5.132 862 1HMC HEC 105 1HMC HEC 105 -3.232 3.704 -12.899 863 2HMC HEC 105 2HMC HEC 105 -2.653 4.543 -11.458 864 3HMC HEC 105 3HMC HEC 105 -1.855 4.801 -13.011 865 HAC HEC 105 HAC HEC 105 -0.068 1.917 -14.934 866 1HBC HEC 105 1HBC HEC 105 -1.210 3.564 -16.064 867 2HBC HEC 105 2HBC HEC 105 -0.841 4.282 -14.496 868 3HBC HEC 105 3HBC HEC 105 -2.465 3.683 -14.831 869 1HMD HEC 105 1HMD HEC 105 3.189 -2.610 -14.415 870 2HMD HEC 105 2HMD HEC 105 1.431 -2.747 -14.431 871 3HMD HEC 105 3HMD HEC 105 2.197 -1.196 -14.775 872 1HAD HEC 105 1HAD HEC 105 3.405 -4.396 -11.461 873 2HAD HEC 105 2HAD HEC 105 4.035 -3.686 -12.939 874 1HBD HEC 105 1HBD HEC 105 5.990 -3.459 -11.870 875 2HBD HEC 105 2HBD HEC 105 5.273 -3.876 -10.319 Start of MODEL 14 1 1H GLY 1 1HT GLY 1 -8.340 6.662 7.152 2 2H GLY 1 2HT GLY 1 -9.121 5.206 7.547 3 3H GLY 1 3HT GLY 1 -8.086 5.949 8.671 4 1HA GLY 1 1HA GLY 1 -9.846 6.945 9.544 5 2HA GLY 1 2HA GLY 1 -9.938 7.880 8.052 6 H ASP 2 H ASP 2 -11.328 7.075 6.338 7 HA ASP 2 HA ASP 2 -13.488 5.300 7.389 8 1HB ASP 2 2HB ASP 2 -13.573 7.274 5.085 9 2HB ASP 2 1HB ASP 2 -14.940 6.358 5.721 10 H VAL 3 H VAL 3 -14.294 3.619 6.011 11 HA VAL 3 HA VAL 3 -12.245 2.471 4.261 12 HB VAL 3 HB VAL 3 -13.680 1.091 5.795 13 1HG1 VAL 3 1HG1 VAL 3 -16.004 0.628 5.033 14 2HG1 VAL 3 2HG1 VAL 3 -15.822 1.867 3.790 15 3HG1 VAL 3 3HG1 VAL 3 -15.782 2.316 5.495 16 1HG2 VAL 3 1HG2 VAL 3 -12.718 -0.256 4.169 17 2HG2 VAL 3 2HG2 VAL 3 -13.459 0.639 2.842 18 3HG2 VAL 3 3HG2 VAL 3 -14.423 -0.495 3.787 19 H GLU 4 H GLU 4 -15.333 4.127 3.906 20 HA GLU 4 HA GLU 4 -15.595 3.519 1.071 21 1HB GLU 4 2HB GLU 4 -16.958 5.452 2.949 22 2HB GLU 4 1HB GLU 4 -17.292 5.460 1.216 23 1HG GLU 4 2HG GLU 4 -17.749 2.958 1.426 24 2HG GLU 4 1HG GLU 4 -17.722 3.193 3.173 25 H LYS 5 H LYS 5 -14.135 6.089 2.982 26 HA LYS 5 HA LYS 5 -13.761 7.904 0.751 27 1HB LYS 5 2HB LYS 5 -13.737 8.813 2.988 28 2HB LYS 5 1HB LYS 5 -12.443 7.715 3.473 29 1HG LYS 5 2HG LYS 5 -11.612 10.015 2.974 30 2HG LYS 5 1HG LYS 5 -10.895 8.791 1.925 31 1HD LYS 5 2HD LYS 5 -11.623 10.798 0.649 32 2HD LYS 5 1HD LYS 5 -12.486 9.344 0.145 33 1HE LYS 5 2HE LYS 5 -14.483 10.127 0.891 34 2HE LYS 5 1HE LYS 5 -13.774 10.786 2.366 35 1HZ LYS 5 1HZ LYS 5 -12.902 12.201 0.052 36 2HZ LYS 5 2HZ LYS 5 -13.652 12.791 1.459 37 3HZ LYS 5 3HZ LYS 5 -14.594 12.207 0.170 38 H GLY 6 H GLY 6 -11.470 5.818 2.556 39 1HA GLY 6 1HA GLY 6 -9.261 6.220 0.810 40 2HA GLY 6 2HA GLY 6 -9.470 4.815 1.855 41 H LYS 7 H LYS 7 -11.821 3.738 0.770 42 HA LYS 7 HA LYS 7 -10.792 2.302 -1.488 43 1HB LYS 7 2HB LYS 7 -12.446 1.217 -0.143 44 2HB LYS 7 1HB LYS 7 -13.573 2.561 -0.322 45 1HG LYS 7 2HG LYS 7 -14.123 1.988 -2.510 46 2HG LYS 7 1HG LYS 7 -12.602 1.136 -2.778 47 1HD LYS 7 2HD LYS 7 -14.326 -0.536 -2.584 48 2HD LYS 7 1HD LYS 7 -13.379 -0.588 -1.096 49 1HE LYS 7 2HE LYS 7 -15.598 1.328 -0.982 50 2HE LYS 7 1HE LYS 7 -16.129 -0.336 -1.225 51 1HZ LYS 7 1HZ LYS 7 -15.873 -0.507 0.972 52 2HZ LYS 7 2HZ LYS 7 -14.914 0.890 1.080 53 3HZ LYS 7 3HZ LYS 7 -14.211 -0.595 0.651 54 H LYS 8 H LYS 8 -12.396 5.341 -1.211 55 HA LYS 8 HA LYS 8 -13.500 5.383 -3.902 56 1HB LYS 8 2HB LYS 8 -13.317 7.219 -1.609 57 2HB LYS 8 1HB LYS 8 -13.218 8.023 -3.176 58 1HG LYS 8 2HG LYS 8 -15.344 5.960 -2.605 59 2HG LYS 8 1HG LYS 8 -15.573 7.657 -2.184 60 1HD LYS 8 2HD LYS 8 -14.613 7.796 -4.775 61 2HD LYS 8 1HD LYS 8 -15.646 6.367 -4.815 62 1HE LYS 8 2HE LYS 8 -16.923 8.484 -3.311 63 2HE LYS 8 1HE LYS 8 -16.476 9.058 -4.917 64 1HZ LYS 8 1HZ LYS 8 -17.596 6.412 -4.913 65 2HZ LYS 8 2HZ LYS 8 -17.985 7.754 -5.879 66 3HZ LYS 8 3HZ LYS 8 -18.672 7.587 -4.333 67 H ILE 9 H ILE 9 -10.532 6.609 -2.367 68 HA ILE 9 HA ILE 9 -9.550 7.945 -4.718 69 HB ILE 9 HB ILE 9 -8.107 6.836 -2.294 70 1HG1 ILE 9 2HG1 ILE 9 -7.980 9.611 -2.323 71 2HG1 ILE 9 1HG1 ILE 9 -9.606 9.275 -2.915 72 1HG2 ILE 9 1HG2 ILE 9 -6.775 7.184 -4.529 73 2HG2 ILE 9 2HG2 ILE 9 -6.129 7.854 -3.032 74 3HG2 ILE 9 3HG2 ILE 9 -6.978 8.898 -4.171 75 1HD1 ILE 9 1HD1 ILE 9 -8.838 9.294 -0.252 76 2HD1 ILE 9 2HD1 ILE 9 -8.857 7.577 -0.651 77 3HD1 ILE 9 3HD1 ILE 9 -10.305 8.555 -0.890 78 H PHE 10 H PHE 10 -8.466 4.832 -3.267 79 HA PHE 10 HA PHE 10 -6.839 4.007 -5.409 80 1HB PHE 10 2HB PHE 10 -7.156 2.832 -3.165 81 2HB PHE 10 1HB PHE 10 -8.620 2.122 -3.844 82 HD1 PHE 10 HD1 PHE 10 -4.950 2.158 -3.931 83 HD2 PHE 10 HD2 PHE 10 -8.496 0.538 -5.742 84 HE1 PHE 10 HE1 PHE 10 -3.586 0.415 -5.055 85 HE2 PHE 10 HE2 PHE 10 -7.118 -1.203 -6.864 86 HZ PHE 10 HZ PHE 10 -4.683 -1.262 -6.521 87 H ILE 11 H ILE 11 -10.341 3.514 -4.960 88 HA ILE 11 HA ILE 11 -10.824 1.990 -7.293 89 HB ILE 11 HB ILE 11 -12.508 3.923 -5.706 90 1HG1 ILE 11 2HG1 ILE 11 -12.706 0.943 -6.246 91 2HG1 ILE 11 1HG1 ILE 11 -11.977 1.660 -4.808 92 1HG2 ILE 11 1HG2 ILE 11 -13.208 2.516 -8.289 93 2HG2 ILE 11 2HG2 ILE 11 -13.431 4.217 -7.881 94 3HG2 ILE 11 3HG2 ILE 11 -14.441 2.989 -7.119 95 1HD1 ILE 11 1HD1 ILE 11 -14.174 2.818 -4.369 96 2HD1 ILE 11 2HD1 ILE 11 -14.251 1.059 -4.253 97 3HD1 ILE 11 3HD1 ILE 11 -14.868 1.877 -5.689 98 H MET 12 H MET 12 -10.530 5.511 -6.883 99 HA MET 12 HA MET 12 -10.748 5.767 -9.854 100 1HB MET 12 2HB MET 12 -12.181 7.123 -7.976 101 2HB MET 12 1HB MET 12 -10.819 8.222 -8.205 102 1HG MET 12 2HG MET 12 -11.425 8.740 -10.343 103 2HG MET 12 1HG MET 12 -11.966 7.098 -10.691 104 1HE MET 12 1HE MET 12 -13.921 6.692 -11.355 105 2HE MET 12 2HE MET 12 -14.244 8.286 -12.032 106 3HE MET 12 3HE MET 12 -15.467 7.492 -11.044 107 H LYS 13 H LYS 13 -8.334 5.048 -8.161 108 HA LYS 13 HA LYS 13 -6.576 7.223 -9.212 109 1HB LYS 13 2HB LYS 13 -6.897 7.222 -6.660 110 2HB LYS 13 1HB LYS 13 -5.986 5.711 -6.662 111 1HG LYS 13 2HG LYS 13 -4.070 6.885 -6.754 112 2HG LYS 13 1HG LYS 13 -4.569 7.547 -8.311 113 1HD LYS 13 2HD LYS 13 -6.055 8.896 -6.285 114 2HD LYS 13 1HD LYS 13 -4.358 8.903 -5.800 115 1HE LYS 13 2HE LYS 13 -3.758 10.293 -7.494 116 2HE LYS 13 1HE LYS 13 -4.793 9.466 -8.658 117 1HZ LYS 13 1HZ LYS 13 -5.473 11.785 -8.125 118 2HZ LYS 13 2HZ LYS 13 -5.822 11.272 -6.543 119 3HZ LYS 13 3HZ LYS 13 -6.682 10.627 -7.859 120 H CYS 14 H CYS 14 -6.287 3.962 -7.738 121 HA CYS 14 HA CYS 14 -4.567 3.228 -10.076 122 1HB CYS 14 2HB CYS 14 -4.149 1.544 -7.727 123 2HB CYS 14 1HB CYS 14 -2.961 2.408 -8.697 124 H SER 15 H SER 15 -7.520 2.948 -9.599 125 HA SER 15 HA SER 15 -7.941 0.075 -9.192 126 1HB SER 15 2HB SER 15 -9.565 2.062 -8.652 127 2HB SER 15 1HB SER 15 -10.001 1.931 -10.353 128 HG SER 15 HG SER 15 -10.053 -0.155 -8.420 129 H GLN 16 H GLN 16 -6.622 1.691 -11.685 130 HA GLN 16 HA GLN 16 -8.059 0.173 -13.803 131 1HB GLN 16 2HB GLN 16 -7.732 2.507 -14.348 132 2HB GLN 16 1HB GLN 16 -6.019 2.413 -13.933 133 1HG GLN 16 2HG GLN 16 -6.298 2.310 -16.368 134 2HG GLN 16 1HG GLN 16 -5.686 0.769 -15.765 135 1HE2 GLN 16 1HE2 GLN 16 -8.007 2.072 -17.807 136 2HE2 GLN 16 2HE2 GLN 16 -9.111 0.781 -17.814 137 H CYS 17 H CYS 17 -4.705 0.875 -12.777 138 HA CYS 17 HA CYS 17 -3.738 -1.495 -14.217 139 1HB CYS 17 2HB CYS 17 -2.418 0.632 -12.519 140 2HB CYS 17 1HB CYS 17 -1.536 -0.801 -13.050 141 H HIS 18 H HIS 18 -4.829 -0.653 -11.032 142 HA HIS 18 HA HIS 18 -3.996 -3.369 -10.076 143 1HB HIS 18 2HB HIS 18 -4.326 -0.837 -8.447 144 2HB HIS 18 1HB HIS 18 -3.998 -2.435 -7.783 145 HD1 HIS 18 HD1 HIS 18 -1.618 -3.268 -7.858 146 HD2 HIS 18 HD2 HIS 18 -2.150 0.250 -9.993 147 HE1 HIS 18 HE1 HIS 18 0.699 -2.411 -8.400 148 H THR 19 H THR 19 -6.052 -4.259 -10.733 149 HA THR 19 HA THR 19 -8.446 -3.062 -9.465 150 HB THR 19 HB THR 19 -9.711 -4.709 -10.793 151 HG1 THR 19 HG1 THR 19 -8.721 -6.306 -11.816 152 1HG2 THR 19 1HG2 THR 19 -9.543 -3.090 -12.351 153 2HG2 THR 19 2HG2 THR 19 -8.218 -4.018 -13.055 154 3HG2 THR 19 3HG2 THR 19 -7.876 -2.738 -11.890 155 H VAL 20 H VAL 20 -8.228 -3.581 -7.278 156 HA VAL 20 HA VAL 20 -7.557 -6.323 -6.473 157 HB VAL 20 HB VAL 20 -7.532 -5.476 -4.246 158 1HG1 VAL 20 1HG1 VAL 20 -6.694 -3.245 -6.121 159 2HG1 VAL 20 2HG1 VAL 20 -5.697 -4.619 -5.638 160 3HG1 VAL 20 3HG1 VAL 20 -6.175 -3.413 -4.443 161 1HG2 VAL 20 1HG2 VAL 20 -8.479 -3.221 -3.705 162 2HG2 VAL 20 2HG2 VAL 20 -9.711 -4.368 -4.230 163 3HG2 VAL 20 3HG2 VAL 20 -9.121 -3.135 -5.345 164 H GLU 21 H GLU 21 -10.052 -5.877 -8.030 165 HA GLU 21 HA GLU 21 -11.911 -7.123 -6.073 166 1HB GLU 21 2HB GLU 21 -12.529 -4.795 -7.912 167 2HB GLU 21 1HB GLU 21 -13.780 -5.784 -7.157 168 1HG GLU 21 2HG GLU 21 -12.699 -5.265 -4.923 169 2HG GLU 21 1HG GLU 21 -11.693 -4.087 -5.767 170 H LYS 22 H LYS 22 -10.239 -7.562 -8.808 171 HA LYS 22 HA LYS 22 -12.385 -8.674 -10.485 172 1HB LYS 22 2HB LYS 22 -10.077 -7.560 -11.190 173 2HB LYS 22 1HB LYS 22 -9.484 -9.209 -10.995 174 1HG LYS 22 2HG LYS 22 -10.211 -9.519 -13.125 175 2HG LYS 22 1HG LYS 22 -11.818 -9.600 -12.403 176 1HD LYS 22 2HD LYS 22 -12.415 -7.550 -13.195 177 2HD LYS 22 1HD LYS 22 -10.819 -6.863 -12.890 178 1HE LYS 22 2HE LYS 22 -10.101 -7.303 -14.996 179 2HE LYS 22 1HE LYS 22 -10.846 -8.901 -15.012 180 1HZ LYS 22 1HZ LYS 22 -11.737 -6.903 -16.481 181 2HZ LYS 22 2HZ LYS 22 -12.640 -6.606 -15.073 182 3HZ LYS 22 3HZ LYS 22 -12.764 -8.104 -15.863 183 H GLY 23 H GLY 23 -10.649 -10.949 -11.352 184 1HA GLY 23 2HA GLY 23 -11.363 -12.779 -9.117 185 2HA GLY 23 1HA GLY 23 -11.103 -13.269 -10.791 186 H GLY 24 H GLY 24 -9.002 -11.126 -8.910 187 1HA GLY 24 1HA GLY 24 -6.814 -11.471 -8.100 188 2HA GLY 24 2HA GLY 24 -7.057 -13.205 -8.322 189 H LYS 25 H LYS 25 -7.788 -11.293 -11.070 190 HA LYS 25 HA LYS 25 -5.365 -12.349 -12.415 191 1HB LYS 25 2HB LYS 25 -7.837 -12.473 -13.307 192 2HB LYS 25 1HB LYS 25 -7.533 -10.813 -13.818 193 1HG LYS 25 2HG LYS 25 -6.396 -11.571 -15.604 194 2HG LYS 25 1HG LYS 25 -5.253 -12.377 -14.531 195 1HD LYS 25 2HD LYS 25 -7.930 -13.619 -15.146 196 2HD LYS 25 1HD LYS 25 -6.559 -13.840 -16.233 197 1HE LYS 25 2HE LYS 25 -5.233 -14.577 -14.168 198 2HE LYS 25 1HE LYS 25 -6.785 -14.666 -13.335 199 1HZ LYS 25 1HZ LYS 25 -7.326 -16.529 -14.403 200 2HZ LYS 25 2HZ LYS 25 -5.685 -16.642 -14.828 201 3HZ LYS 25 3HZ LYS 25 -6.800 -15.945 -15.905 202 H HIS 26 H HIS 26 -4.113 -10.875 -13.817 203 HA HIS 26 HA HIS 26 -4.357 -7.998 -13.120 204 1HB HIS 26 2HB HIS 26 -1.670 -8.236 -13.081 205 2HB HIS 26 1HB HIS 26 -2.653 -8.352 -11.624 206 HD1 HIS 26 HD1 HIS 26 -2.314 -11.029 -14.299 207 HD2 HIS 26 HD2 HIS 26 -1.255 -10.395 -10.315 208 HE1 HIS 26 HE1 HIS 26 -1.392 -13.227 -13.443 209 H LYS 27 H LYS 27 -3.755 -6.647 -14.822 210 HA LYS 27 HA LYS 27 -2.748 -8.002 -17.265 211 1HB LYS 27 2HB LYS 27 -5.139 -6.519 -16.879 212 2HB LYS 27 1HB LYS 27 -4.080 -5.545 -17.898 213 1HG LYS 27 2HG LYS 27 -3.683 -7.787 -19.188 214 2HG LYS 27 1HG LYS 27 -5.182 -8.296 -18.409 215 1HD LYS 27 2HD LYS 27 -6.466 -6.711 -19.527 216 2HD LYS 27 1HD LYS 27 -5.093 -5.631 -19.782 217 1HE LYS 27 2HE LYS 27 -4.934 -8.311 -21.065 218 2HE LYS 27 1HE LYS 27 -6.097 -7.173 -21.747 219 1HZ LYS 27 1HZ LYS 27 -3.582 -7.199 -22.483 220 2HZ LYS 27 2HZ LYS 27 -3.422 -6.172 -21.139 221 3HZ LYS 27 3HZ LYS 27 -4.474 -5.759 -22.407 222 H THR 28 H THR 28 -3.049 -4.693 -15.927 223 HA THR 28 HA THR 28 -0.371 -4.086 -17.076 224 HB THR 28 HB THR 28 -2.450 -2.225 -15.883 225 HG1 THR 28 HG1 THR 28 -3.289 -2.248 -17.790 226 1HG2 THR 28 1HG2 THR 28 0.260 -1.839 -17.119 227 2HG2 THR 28 2HG2 THR 28 -0.423 -1.082 -15.680 228 3HG2 THR 28 3HG2 THR 28 -0.966 -0.580 -17.281 229 H GLY 29 H GLY 29 -2.155 -3.303 -14.066 230 1HA GLY 29 2HA GLY 29 0.426 -3.192 -12.618 231 2HA GLY 29 1HA GLY 29 -1.126 -2.663 -11.988 232 HA PRO 30 HA PRO 30 0.017 -7.162 -10.782 233 1HB PRO 30 2HB PRO 30 1.012 -6.636 -8.268 234 2HB PRO 30 1HB PRO 30 2.017 -6.834 -9.714 235 1HG PRO 30 2HG PRO 30 1.193 -4.302 -8.325 236 2HG PRO 30 1HG PRO 30 2.714 -4.686 -9.154 237 1HD PRO 30 2HD PRO 30 0.726 -3.150 -10.301 238 2HD PRO 30 1HD PRO 30 1.884 -4.117 -11.232 239 H ASN 31 H ASN 31 -1.621 -8.271 -9.797 240 HA ASN 31 HA ASN 31 -3.969 -7.015 -8.894 241 1HB ASN 31 2HB ASN 31 -3.922 -9.379 -9.537 242 2HB ASN 31 1HB ASN 31 -2.904 -9.755 -8.146 243 1HD2 ASN 31 1HD2 ASN 31 -5.914 -7.777 -8.532 244 2HD2 ASN 31 2HD2 ASN 31 -6.751 -8.553 -7.276 245 H LEU 32 H LEU 32 -3.845 -5.510 -7.296 246 HA LEU 32 HA LEU 32 -2.173 -5.878 -4.945 247 1HB LEU 32 2HB LEU 32 -3.757 -3.730 -6.157 248 2HB LEU 32 1HB LEU 32 -3.861 -3.755 -4.399 249 HG LEU 32 HG LEU 32 -1.580 -3.353 -4.120 250 1HD1 LEU 32 1HD1 LEU 32 -1.379 -4.890 -6.629 251 2HD1 LEU 32 2HD1 LEU 32 -0.292 -4.856 -5.242 252 3HD1 LEU 32 3HD1 LEU 32 -0.195 -3.594 -6.470 253 1HD2 LEU 32 1HD2 LEU 32 -0.976 -1.784 -6.216 254 2HD2 LEU 32 2HD2 LEU 32 -2.140 -1.292 -4.986 255 3HD2 LEU 32 3HD2 LEU 32 -2.704 -1.972 -6.512 256 H HIS 33 H HIS 33 -3.972 -8.015 -5.048 257 HA HIS 33 HA HIS 33 -6.132 -7.343 -3.128 258 1HB HIS 33 2HB HIS 33 -6.700 -8.766 -5.075 259 2HB HIS 33 1HB HIS 33 -5.502 -9.950 -4.550 260 HD1 HIS 33 HD1 HIS 33 -8.917 -8.654 -3.788 261 HD2 HIS 33 HD2 HIS 33 -6.222 -11.386 -2.160 262 HE1 HIS 33 HE1 HIS 33 -10.212 -10.011 -2.084 263 H GLY 34 H GLY 34 -4.219 -6.901 -1.586 264 1HA GLY 34 2HA GLY 34 -3.829 -7.996 0.646 265 2HA GLY 34 1HA GLY 34 -3.435 -9.463 -0.251 266 H LEU 35 H LEU 35 -2.399 -6.556 -1.718 267 HA LEU 35 HA LEU 35 0.323 -7.217 -1.832 268 1HB LEU 35 2HB LEU 35 -0.691 -5.467 -3.221 269 2HB LEU 35 1HB LEU 35 -0.941 -4.461 -1.794 270 HG LEU 35 HG LEU 35 1.595 -4.640 -1.423 271 1HD1 LEU 35 1HD1 LEU 35 2.932 -5.172 -3.401 272 2HD1 LEU 35 2HD1 LEU 35 1.469 -5.478 -4.337 273 3HD1 LEU 35 3HD1 LEU 35 1.902 -6.549 -3.004 274 1HD2 LEU 35 1HD2 LEU 35 0.149 -2.739 -2.565 275 2HD2 LEU 35 2HD2 LEU 35 1.002 -3.256 -4.019 276 3HD2 LEU 35 3HD2 LEU 35 1.909 -2.670 -2.625 277 H PHE 36 H PHE 36 -1.469 -5.607 0.733 278 HA PHE 36 HA PHE 36 0.732 -4.529 2.183 279 1HB PHE 36 2HB PHE 36 -2.022 -5.464 2.979 280 2HB PHE 36 1HB PHE 36 -0.873 -4.904 4.194 281 HD1 PHE 36 HD1 PHE 36 -1.386 -3.711 0.682 282 HD2 PHE 36 HD2 PHE 36 -1.670 -2.791 4.869 283 HE1 PHE 36 HE1 PHE 36 -1.938 -1.361 0.127 284 HE2 PHE 36 HE2 PHE 36 -2.224 -0.440 4.312 285 HZ PHE 36 HZ PHE 36 -2.359 0.272 1.942 286 H GLY 37 H GLY 37 2.121 -5.444 3.704 287 1HA GLY 37 2HA GLY 37 3.314 -7.154 4.785 288 2HA GLY 37 1HA GLY 37 1.764 -7.979 4.954 289 H ARG 38 H ARG 38 3.083 -7.069 1.831 290 HA ARG 38 HA ARG 38 3.811 -9.918 1.320 291 1HB ARG 38 2HB ARG 38 1.455 -8.937 0.436 292 2HB ARG 38 1HB ARG 38 2.499 -8.412 -0.885 293 1HG ARG 38 2HG ARG 38 2.981 -11.180 -0.002 294 2HG ARG 38 1HG ARG 38 1.379 -10.911 -0.690 295 1HD ARG 38 2HD ARG 38 4.058 -10.350 -1.984 296 2HD ARG 38 1HD ARG 38 2.822 -11.485 -2.520 297 HE ARG 38 HE ARG 38 1.398 -9.280 -2.773 298 1HH1 ARG 38 1HH2 ARG 38 3.731 -7.489 -2.267 299 2HH1 ARG 38 2HH2 ARG 38 4.315 -7.181 -3.868 300 1HH2 ARG 38 1HH1 ARG 38 2.595 -9.837 -5.290 301 2HH2 ARG 38 2HH1 ARG 38 3.674 -8.513 -5.580 302 H LYS 39 H LYS 39 5.832 -10.020 0.441 303 HA LYS 39 HA LYS 39 7.252 -7.600 -0.292 304 1HB LYS 39 2HB LYS 39 7.907 -10.544 -0.458 305 2HB LYS 39 1HB LYS 39 8.995 -9.320 -1.111 306 1HG LYS 39 2HG LYS 39 9.160 -8.240 1.067 307 2HG LYS 39 1HG LYS 39 7.976 -9.358 1.744 308 1HD LYS 39 2HD LYS 39 9.773 -11.120 0.716 309 2HD LYS 39 1HD LYS 39 10.845 -9.784 1.137 310 1HE LYS 39 2HE LYS 39 10.668 -11.254 3.060 311 2HE LYS 39 1HE LYS 39 9.815 -9.754 3.424 312 1HZ LYS 39 1HZ LYS 39 7.872 -11.201 2.304 313 2HZ LYS 39 2HZ LYS 39 8.163 -11.145 3.976 314 3HZ LYS 39 3HZ LYS 39 8.772 -12.431 3.047 315 H THR 40 H THR 40 8.465 -7.623 -2.521 316 HA THR 40 HA THR 40 6.424 -7.570 -4.588 317 HB THR 40 HB THR 40 9.241 -7.470 -5.459 318 HG1 THR 40 HG1 THR 40 8.202 -5.723 -3.490 319 1HG2 THR 40 1HG2 THR 40 6.714 -6.413 -6.184 320 2HG2 THR 40 2HG2 THR 40 8.257 -6.173 -7.005 321 3HG2 THR 40 3HG2 THR 40 7.735 -5.040 -5.757 322 H GLY 41 H GLY 41 6.922 -8.685 -6.769 323 1HA GLY 41 2HA GLY 41 7.252 -10.650 -8.001 324 2HA GLY 41 1HA GLY 41 8.482 -11.087 -6.820 325 H GLN 42 H GLN 42 5.336 -11.817 -7.939 326 HA GLN 42 HA GLN 42 5.097 -13.955 -5.965 327 1HB GLN 42 2HB GLN 42 3.929 -11.492 -5.315 328 2HB GLN 42 1HB GLN 42 2.594 -12.481 -5.909 329 1HG GLN 42 2HG GLN 42 2.704 -13.000 -3.604 330 2HG GLN 42 1HG GLN 42 3.545 -14.339 -4.385 331 1HE2 GLN 42 1HE2 GLN 42 4.711 -11.000 -3.685 332 2HE2 GLN 42 2HE2 GLN 42 6.036 -11.501 -2.748 333 H ALA 43 H ALA 43 2.871 -12.099 -8.081 334 HA ALA 43 HA ALA 43 1.247 -14.123 -9.000 335 1HB ALA 43 1HB ALA 43 0.803 -11.959 -9.840 336 2HB ALA 43 2HB ALA 43 1.311 -12.868 -11.264 337 3HB ALA 43 3HB ALA 43 2.441 -11.773 -10.467 338 HA PRO 44 HA PRO 44 3.784 -16.996 -11.152 339 1HB PRO 44 2HB PRO 44 1.831 -18.148 -12.709 340 2HB PRO 44 1HB PRO 44 2.018 -18.466 -10.976 341 1HG PRO 44 2HG PRO 44 -0.026 -16.800 -12.368 342 2HG PRO 44 1HG PRO 44 -0.139 -17.655 -10.821 343 1HD PRO 44 2HD PRO 44 0.290 -14.878 -11.143 344 2HD PRO 44 1HD PRO 44 0.519 -15.801 -9.643 345 H GLY 45 H GLY 45 1.338 -16.153 -13.609 346 1HA GLY 45 2HA GLY 45 3.479 -15.736 -15.586 347 2HA GLY 45 1HA GLY 45 1.745 -15.717 -15.917 348 H TYR 46 H TYR 46 4.154 -13.839 -14.055 349 HA TYR 46 HA TYR 46 3.290 -11.349 -15.334 350 1HB TYR 46 2HB TYR 46 1.599 -11.794 -13.494 351 2HB TYR 46 1HB TYR 46 2.919 -11.688 -12.341 352 HD1 TYR 46 HD1 TYR 46 4.416 -9.307 -13.789 353 HD2 TYR 46 HD2 TYR 46 0.325 -9.967 -12.695 354 HE1 TYR 46 HE1 TYR 46 4.078 -6.884 -13.657 355 HE2 TYR 46 HE2 TYR 46 0.006 -7.524 -12.549 356 HH TYR 46 HH TYR 46 2.150 -5.290 -13.830 357 H SER 47 H SER 47 5.194 -10.293 -15.615 358 HA SER 47 HA SER 47 7.486 -10.892 -13.857 359 1HB SER 47 2HB SER 47 7.900 -10.593 -16.270 360 2HB SER 47 1HB SER 47 7.184 -8.985 -16.208 361 HG SER 47 HG SER 47 8.980 -8.985 -14.334 362 H TYR 48 H TYR 48 6.061 -10.026 -12.020 363 HA TYR 48 HA TYR 48 5.095 -7.470 -11.638 364 1HB TYR 48 2HB TYR 48 6.297 -9.523 -9.894 365 2HB TYR 48 1HB TYR 48 6.326 -7.898 -9.234 366 HD1 TYR 48 HD1 TYR 48 3.847 -9.699 -11.365 367 HD2 TYR 48 HD2 TYR 48 4.639 -7.685 -7.669 368 HE1 TYR 48 HE1 TYR 48 1.466 -9.970 -10.709 369 HE2 TYR 48 HE2 TYR 48 2.261 -7.940 -7.012 370 HH TYR 48 HH TYR 48 0.352 -9.244 -7.505 371 H THR 49 H THR 49 6.283 -5.813 -10.035 372 HA THR 49 HA THR 49 8.343 -4.529 -11.507 373 HB THR 49 HB THR 49 8.417 -4.062 -8.599 374 HG1 THR 49 HG1 THR 49 6.258 -3.065 -8.789 375 1HG2 THR 49 1HG2 THR 49 7.414 -2.030 -10.501 376 2HG2 THR 49 2HG2 THR 49 9.031 -2.648 -10.835 377 3HG2 THR 49 3HG2 THR 49 8.676 -1.901 -9.276 378 H ALA 50 H ALA 50 9.919 -6.162 -11.983 379 HA ALA 50 HA ALA 50 11.207 -7.851 -10.143 380 1HB ALA 50 1HB ALA 50 11.597 -7.059 -12.843 381 2HB ALA 50 2HB ALA 50 12.344 -8.418 -12.004 382 3HB ALA 50 3HB ALA 50 13.143 -6.846 -12.020 383 H ALA 51 H ALA 51 11.932 -4.471 -10.986 384 HA ALA 51 HA ALA 51 14.320 -4.141 -9.548 385 1HB ALA 51 1HB ALA 51 12.007 -2.287 -10.099 386 2HB ALA 51 2HB ALA 51 13.623 -2.271 -10.803 387 3HB ALA 51 3HB ALA 51 13.384 -1.749 -9.137 388 H ASN 52 H ASN 52 11.154 -3.088 -8.223 389 HA ASN 52 HA ASN 52 11.788 -2.834 -5.563 390 1HB ASN 52 2HB ASN 52 9.374 -3.571 -7.049 391 2HB ASN 52 1HB ASN 52 9.390 -4.222 -5.410 392 1HD2 ASN 52 1HD2 ASN 52 10.801 -2.165 -4.060 393 2HD2 ASN 52 2HD2 ASN 52 9.877 -0.742 -4.108 394 H LYS 53 H LYS 53 10.978 -5.925 -7.148 395 HA LYS 53 HA LYS 53 11.102 -7.654 -4.969 396 1HB LYS 53 2HB LYS 53 11.027 -7.939 -7.728 397 2HB LYS 53 1HB LYS 53 12.536 -8.732 -7.277 398 1HG LYS 53 2HG LYS 53 10.073 -9.288 -5.660 399 2HG LYS 53 1HG LYS 53 10.262 -10.079 -7.226 400 1HD LYS 53 2HD LYS 53 12.604 -10.100 -5.372 401 2HD LYS 53 1HD LYS 53 11.250 -11.165 -4.995 402 1HE LYS 53 2HE LYS 53 12.437 -12.562 -6.397 403 2HE LYS 53 1HE LYS 53 11.450 -11.730 -7.597 404 1HZ LYS 53 1HZ LYS 53 14.020 -10.555 -6.806 405 2HZ LYS 53 2HZ LYS 53 13.194 -10.450 -8.286 406 3HZ LYS 53 3HZ LYS 53 14.022 -11.875 -7.871 407 H ASN 54 H ASN 54 13.916 -6.857 -7.058 408 HA ASN 54 HA ASN 54 15.812 -8.182 -5.402 409 1HB ASN 54 2HB ASN 54 16.153 -5.908 -7.370 410 2HB ASN 54 1HB ASN 54 17.499 -6.763 -6.614 411 1HD2 ASN 54 1HD2 ASN 54 16.645 -6.725 -9.520 412 2HD2 ASN 54 2HD2 ASN 54 16.412 -8.355 -9.932 413 H LYS 55 H LYS 55 14.543 -4.887 -5.296 414 HA LYS 55 HA LYS 55 16.466 -3.752 -3.560 415 1HB LYS 55 2HB LYS 55 14.562 -2.554 -4.736 416 2HB LYS 55 1HB LYS 55 13.497 -3.179 -3.475 417 1HG LYS 55 2HG LYS 55 14.063 -1.240 -2.408 418 2HG LYS 55 1HG LYS 55 15.498 -2.159 -1.949 419 1HD LYS 55 2HD LYS 55 16.532 -1.313 -4.150 420 2HD LYS 55 1HD LYS 55 15.201 -0.155 -4.189 421 1HE LYS 55 2HE LYS 55 16.378 1.166 -2.800 422 2HE LYS 55 1HE LYS 55 16.221 -0.076 -1.557 423 1HZ LYS 55 1HZ LYS 55 18.429 0.368 -3.458 424 2HZ LYS 55 2HZ LYS 55 18.182 -1.166 -2.771 425 3HZ LYS 55 3HZ LYS 55 18.494 0.174 -1.774 426 H GLY 56 H GLY 56 14.236 -6.281 -2.958 427 1HA GLY 56 1HA GLY 56 13.700 -7.435 -0.982 428 2HA GLY 56 2HA GLY 56 15.165 -6.722 -0.301 429 H ILE 57 H ILE 57 12.318 -5.048 -1.572 430 HA ILE 57 HA ILE 57 12.112 -3.579 0.996 431 HB ILE 57 HB ILE 57 12.142 -2.467 -1.327 432 1HG1 ILE 57 2HG1 ILE 57 11.430 -1.357 0.813 433 2HG1 ILE 57 1HG1 ILE 57 10.603 -0.731 -0.614 434 1HG2 ILE 57 1HG2 ILE 57 9.912 -2.347 -2.421 435 2HG2 ILE 57 2HG2 ILE 57 9.307 -3.544 -1.278 436 3HG2 ILE 57 3HG2 ILE 57 10.567 -3.984 -2.430 437 1HD1 ILE 57 1HD1 ILE 57 9.514 -2.232 1.680 438 2HD1 ILE 57 2HD1 ILE 57 8.939 -2.782 0.108 439 3HD1 ILE 57 3HD1 ILE 57 8.711 -1.102 0.591 440 H ILE 58 H ILE 58 10.434 -3.893 2.407 441 HA ILE 58 HA ILE 58 8.419 -5.949 1.684 442 HB ILE 58 HB ILE 58 9.748 -5.991 3.882 443 1HG1 ILE 58 2HG1 ILE 58 7.642 -7.273 3.454 444 2HG1 ILE 58 1HG1 ILE 58 7.827 -6.804 5.144 445 1HG2 ILE 58 1HG2 ILE 58 9.206 -4.482 5.604 446 2HG2 ILE 58 2HG2 ILE 58 7.734 -3.946 4.796 447 3HG2 ILE 58 3HG2 ILE 58 9.309 -3.448 4.178 448 1HD1 ILE 58 1HD1 ILE 58 6.499 -4.635 4.192 449 2HD1 ILE 58 2HD1 ILE 58 5.690 -6.040 4.886 450 3HD1 ILE 58 3HD1 ILE 58 5.848 -5.889 3.137 451 H TRP 59 H TRP 59 6.620 -5.125 0.723 452 HA TRP 59 HA TRP 59 5.870 -2.421 0.656 453 1HB TRP 59 2HB TRP 59 4.263 -4.952 0.314 454 2HB TRP 59 1HB TRP 59 3.539 -3.353 0.116 455 HD1 TRP 59 HD1 TRP 59 4.701 -5.837 -2.042 456 HE1 TRP 59 HE1 TRP 59 5.843 -4.918 -4.163 457 HE3 TRP 59 HE3 TRP 59 5.595 -1.034 -0.554 458 HZ2 TRP 59 HZ2 TRP 59 6.987 -2.470 -5.101 459 HZ3 TRP 59 HZ3 TRP 59 6.711 0.567 -2.078 460 HH2 TRP 59 HH2 TRP 59 7.408 -0.145 -4.350 461 H GLY 60 H GLY 60 5.726 -1.300 2.548 462 1HA GLY 60 1HA GLY 60 3.709 -2.274 4.534 463 2HA GLY 60 2HA GLY 60 5.203 -1.480 5.036 464 H GLU 61 H GLU 61 3.601 0.061 6.077 465 HA GLU 61 HA GLU 61 1.987 1.763 4.367 466 1HB GLU 61 2HB GLU 61 1.345 1.482 6.692 467 2HB GLU 61 1HB GLU 61 2.914 2.077 7.238 468 1HG GLU 61 2HG GLU 61 2.419 4.256 6.097 469 2HG GLU 61 1HG GLU 61 0.800 3.654 5.743 470 H ASP 62 H ASP 62 4.753 2.679 6.455 471 HA ASP 62 HA ASP 62 5.285 5.108 5.073 472 1HB ASP 62 2HB ASP 62 6.421 3.635 7.251 473 2HB ASP 62 1HB ASP 62 7.724 4.114 6.161 474 H THR 63 H THR 63 6.589 1.833 4.626 475 HA THR 63 HA THR 63 8.620 2.482 2.757 476 HB THR 63 HB THR 63 7.750 0.021 1.908 477 HG1 THR 63 HG1 THR 63 6.070 0.338 3.597 478 1HG2 THR 63 1HG2 THR 63 9.579 0.966 4.085 479 2HG2 THR 63 2HG2 THR 63 9.973 0.166 2.563 480 3HG2 THR 63 3HG2 THR 63 9.297 -0.766 3.900 481 H LEU 64 H LEU 64 5.146 1.945 2.316 482 HA LEU 64 HA LEU 64 5.340 2.111 -0.599 483 1HB LEU 64 2HB LEU 64 3.445 1.129 1.148 484 2HB LEU 64 1HB LEU 64 2.707 2.629 0.596 485 HG LEU 64 HG LEU 64 3.801 0.431 -1.183 486 1HD1 LEU 64 1HD1 LEU 64 1.595 0.080 0.104 487 2HD1 LEU 64 2HD1 LEU 64 1.546 -0.129 -1.646 488 3HD1 LEU 64 3HD1 LEU 64 0.941 1.359 -0.919 489 1HD2 LEU 64 1HD2 LEU 64 2.528 1.874 -2.922 490 2HD2 LEU 64 2HD2 LEU 64 4.099 2.455 -2.374 491 3HD2 LEU 64 3HD2 LEU 64 2.622 3.159 -1.718 492 H MET 65 H MET 65 4.812 4.317 2.067 493 HA MET 65 HA MET 65 3.581 6.463 0.694 494 1HB MET 65 2HB MET 65 3.990 6.374 3.168 495 2HB MET 65 1HB MET 65 5.697 6.695 2.853 496 1HG MET 65 2HG MET 65 5.043 8.796 1.672 497 2HG MET 65 1HG MET 65 3.366 8.492 2.126 498 1HE MET 65 1HE MET 65 3.501 10.976 3.121 499 2HE MET 65 2HE MET 65 5.217 11.051 2.727 500 3HE MET 65 3HE MET 65 4.673 11.479 4.347 501 H GLU 66 H GLU 66 7.046 5.712 1.093 502 HA GLU 66 HA GLU 66 7.910 7.929 -0.538 503 1HB GLU 66 2HB GLU 66 9.245 6.547 1.226 504 2HB GLU 66 1HB GLU 66 9.542 5.439 -0.114 505 1HG GLU 66 2HG GLU 66 10.566 7.196 -1.426 506 2HG GLU 66 1HG GLU 66 10.115 8.412 -0.230 507 H TYR 67 H TYR 67 7.728 4.402 -1.155 508 HA TYR 67 HA TYR 67 8.564 4.444 -3.845 509 1HB TYR 67 2HB TYR 67 8.205 2.344 -2.649 510 2HB TYR 67 1HB TYR 67 6.476 2.676 -2.540 511 HD1 TYR 67 HD1 TYR 67 9.138 2.637 -5.206 512 HD2 TYR 67 HD2 TYR 67 5.127 1.592 -4.081 513 HE1 TYR 67 HE1 TYR 67 8.782 1.600 -7.430 514 HE2 TYR 67 HE2 TYR 67 4.771 0.558 -6.305 515 HH TYR 67 HH TYR 67 5.704 -0.007 -8.237 516 H LEU 68 H LEU 68 5.591 5.577 -2.443 517 HA LEU 68 HA LEU 68 4.246 5.658 -5.071 518 1HB LEU 68 2HB LEU 68 3.348 5.546 -2.395 519 2HB LEU 68 1HB LEU 68 2.864 7.130 -3.005 520 HG LEU 68 HG LEU 68 1.794 6.094 -4.945 521 1HD1 LEU 68 1HD1 LEU 68 1.835 3.340 -4.114 522 2HD1 LEU 68 2HD1 LEU 68 3.493 3.920 -4.266 523 3HD1 LEU 68 3HD1 LEU 68 2.389 4.036 -5.636 524 1HD2 LEU 68 1HD2 LEU 68 0.535 4.300 -3.090 525 2HD2 LEU 68 2HD2 LEU 68 -0.042 5.865 -3.661 526 3HD2 LEU 68 3HD2 LEU 68 0.986 5.773 -2.232 527 H GLU 69 H GLU 69 5.923 7.774 -2.841 528 HA GLU 69 HA GLU 69 5.096 10.283 -3.906 529 1HB GLU 69 2HB GLU 69 6.636 9.604 -1.846 530 2HB GLU 69 1HB GLU 69 7.919 9.841 -3.025 531 1HG GLU 69 2HG GLU 69 7.650 12.097 -3.043 532 2HG GLU 69 1HG GLU 69 5.890 11.973 -3.039 533 H ASN 70 H ASN 70 7.193 7.790 -5.010 534 HA ASN 70 HA ASN 70 7.360 8.804 -7.683 535 1HB ASN 70 2HB ASN 70 9.258 9.914 -5.865 536 2HB ASN 70 1HB ASN 70 10.120 8.807 -6.932 537 1HD2 ASN 70 1HD2 ASN 70 8.858 9.065 -9.356 538 2HD2 ASN 70 2HD2 ASN 70 8.913 10.671 -9.903 539 HA PRO 71 HA PRO 71 8.207 4.378 -7.300 540 1HB PRO 71 2HB PRO 71 7.032 3.750 -9.714 541 2HB PRO 71 1HB PRO 71 6.127 3.917 -8.201 542 1HG PRO 71 2HG PRO 71 6.275 5.786 -10.517 543 2HG PRO 71 1HG PRO 71 4.985 5.584 -9.319 544 1HD PRO 71 2HD PRO 71 6.905 7.662 -9.345 545 2HD PRO 71 1HD PRO 71 5.840 7.245 -7.987 546 H LYS 72 H LYS 72 8.688 6.424 -10.164 547 HA LYS 72 HA LYS 72 10.640 4.668 -11.369 548 1HB LYS 72 2HB LYS 72 9.195 6.378 -12.579 549 2HB LYS 72 1HB LYS 72 10.273 7.614 -11.932 550 1HG LYS 72 2HG LYS 72 12.199 6.484 -12.992 551 2HG LYS 72 1HG LYS 72 11.111 5.263 -13.655 552 1HD LYS 72 2HD LYS 72 10.954 6.631 -15.455 553 2HD LYS 72 1HD LYS 72 9.908 7.621 -14.438 554 1HE LYS 72 2HE LYS 72 12.627 8.224 -13.778 555 2HE LYS 72 1HE LYS 72 12.449 8.312 -15.530 556 1HZ LYS 72 1HZ LYS 72 10.208 9.520 -14.650 557 2HZ LYS 72 2HZ LYS 72 11.625 10.330 -15.126 558 3HZ LYS 72 3HZ LYS 72 11.339 10.006 -13.483 559 H LYS 73 H LYS 73 10.788 7.047 -8.859 560 HA LYS 73 HA LYS 73 13.704 7.408 -9.268 561 1HB LYS 73 2HB LYS 73 13.526 9.346 -8.091 562 2HB LYS 73 1HB LYS 73 11.807 9.181 -8.426 563 1HG LYS 73 2HG LYS 73 11.805 9.511 -6.116 564 2HG LYS 73 1HG LYS 73 11.801 7.753 -6.212 565 1HD LYS 73 2HD LYS 73 14.385 7.943 -6.161 566 2HD LYS 73 1HD LYS 73 14.112 9.593 -5.600 567 1HE LYS 73 2HE LYS 73 12.392 8.176 -3.998 568 2HE LYS 73 1HE LYS 73 13.731 7.042 -4.174 569 1HZ LYS 73 1HZ LYS 73 15.233 8.559 -3.288 570 2HZ LYS 73 2HZ LYS 73 13.857 8.751 -2.309 571 3HZ LYS 73 3HZ LYS 73 14.201 9.884 -3.527 572 H TYR 74 H TYR 74 11.436 5.944 -6.968 573 HA TYR 74 HA TYR 74 13.560 5.126 -5.147 574 1HB TYR 74 2HB TYR 74 11.316 5.424 -4.260 575 2HB TYR 74 1HB TYR 74 10.665 4.258 -5.411 576 HD1 TYR 74 HD1 TYR 74 9.751 2.946 -3.481 577 HD2 TYR 74 HD2 TYR 74 13.962 3.605 -4.001 578 HE1 TYR 74 HE1 TYR 74 10.234 1.105 -1.892 579 HE2 TYR 74 HE2 TYR 74 14.447 1.764 -2.411 580 HH TYR 74 HH TYR 74 12.101 0.421 -0.384 581 H ILE 75 H ILE 75 11.291 3.138 -7.090 582 HA ILE 75 HA ILE 75 13.401 1.081 -7.289 583 HB ILE 75 HB ILE 75 10.535 0.817 -8.174 584 1HG1 ILE 75 2HG1 ILE 75 10.653 1.780 -5.847 585 2HG1 ILE 75 1HG1 ILE 75 9.932 0.171 -5.913 586 1HG2 ILE 75 1HG2 ILE 75 11.528 -1.159 -8.696 587 2HG2 ILE 75 2HG2 ILE 75 11.292 -1.479 -6.980 588 3HG2 ILE 75 3HG2 ILE 75 12.855 -0.907 -7.560 589 1HD1 ILE 75 1HD1 ILE 75 12.768 0.873 -5.117 590 2HD1 ILE 75 2HD1 ILE 75 12.218 -0.777 -5.404 591 3HD1 ILE 75 3HD1 ILE 75 11.516 0.170 -4.094 592 HA PRO 76 HA PRO 76 13.736 2.751 -11.482 593 1HB PRO 76 2HB PRO 76 16.238 1.697 -11.915 594 2HB PRO 76 1HB PRO 76 15.956 3.229 -11.070 595 1HG PRO 76 2HG PRO 76 16.728 0.579 -9.942 596 2HG PRO 76 1HG PRO 76 17.042 2.202 -9.307 597 1HD PRO 76 2HD PRO 76 15.041 0.425 -8.389 598 2HD PRO 76 1HD PRO 76 15.152 2.156 -8.011 599 H GLY 77 H GLY 77 11.986 0.927 -11.709 600 1HA GLY 77 2HA GLY 77 12.808 -0.864 -13.797 601 2HA GLY 77 1HA GLY 77 12.604 -1.754 -12.287 602 H THR 78 H THR 78 10.427 -0.297 -11.190 603 HA THR 78 HA THR 78 8.192 -1.583 -12.191 604 HB THR 78 HB THR 78 8.255 -0.092 -10.144 605 HG1 THR 78 HG1 THR 78 6.138 0.026 -10.261 606 1HG2 THR 78 1HG2 THR 78 7.923 2.254 -10.374 607 2HG2 THR 78 2HG2 THR 78 7.595 2.113 -12.100 608 3HG2 THR 78 3HG2 THR 78 9.230 1.859 -11.489 609 H LYS 79 H LYS 79 6.421 -0.860 -13.570 610 HA LYS 79 HA LYS 79 7.433 0.801 -15.835 611 1HB LYS 79 2HB LYS 79 5.204 -1.257 -15.820 612 2HB LYS 79 1HB LYS 79 5.827 -0.405 -17.235 613 1HG LYS 79 2HG LYS 79 8.006 -1.623 -15.783 614 2HG LYS 79 1HG LYS 79 6.779 -2.835 -16.157 615 1HD LYS 79 2HD LYS 79 7.277 -1.016 -18.395 616 2HD LYS 79 1HD LYS 79 8.720 -1.911 -17.913 617 1HE LYS 79 2HE LYS 79 6.363 -3.618 -17.928 618 2HE LYS 79 1HE LYS 79 6.634 -2.874 -19.505 619 1HZ LYS 79 1HZ LYS 79 8.344 -4.214 -19.848 620 2HZ LYS 79 2HZ LYS 79 7.988 -5.022 -18.396 621 3HZ LYS 79 3HZ LYS 79 9.089 -3.728 -18.404 622 H MET 80 H MET 80 5.586 1.153 -13.153 623 HA MET 80 HA MET 80 3.401 2.619 -14.508 624 1HB MET 80 2HB MET 80 2.355 2.793 -12.326 625 2HB MET 80 1HB MET 80 2.917 1.149 -12.557 626 1HG MET 80 2HG MET 80 4.807 1.486 -11.174 627 2HG MET 80 1HG MET 80 4.515 3.206 -11.083 628 1HE MET 80 1HE MET 80 3.353 4.355 -9.907 629 2HE MET 80 2HE MET 80 3.308 3.866 -8.214 630 3HE MET 80 3HE MET 80 1.806 4.001 -9.126 631 H ILE 81 H ILE 81 3.687 4.672 -15.017 632 HA ILE 81 HA ILE 81 5.786 6.268 -13.665 633 HB ILE 81 HB ILE 81 4.028 7.306 -15.876 634 1HG1 ILE 81 2HG1 ILE 81 4.690 5.091 -16.656 635 2HG1 ILE 81 1HG1 ILE 81 5.647 6.306 -17.505 636 1HG2 ILE 81 1HG2 ILE 81 6.721 7.926 -16.298 637 2HG2 ILE 81 2HG2 ILE 81 6.522 8.016 -14.549 638 3HG2 ILE 81 3HG2 ILE 81 5.501 8.993 -15.604 639 1HD1 ILE 81 1HD1 ILE 81 7.554 5.906 -16.099 640 2HD1 ILE 81 2HD1 ILE 81 6.969 4.326 -16.623 641 3HD1 ILE 81 3HD1 ILE 81 6.606 4.907 -14.997 642 H PHE 82 H PHE 82 3.757 5.662 -11.977 643 HA PHE 82 HA PHE 82 1.505 7.373 -11.918 644 1HB PHE 82 2HB PHE 82 1.863 5.368 -10.484 645 2HB PHE 82 1HB PHE 82 3.053 6.278 -9.556 646 HD1 PHE 82 HD1 PHE 82 -0.215 7.389 -11.005 647 HD2 PHE 82 HD2 PHE 82 2.082 6.617 -7.458 648 HE1 PHE 82 HE1 PHE 82 -2.042 8.328 -9.615 649 HE2 PHE 82 HE2 PHE 82 0.258 7.558 -6.071 650 HZ PHE 82 HZ PHE 82 -1.799 8.404 -7.151 651 H VAL 83 H VAL 83 1.149 9.383 -10.943 652 HA VAL 83 HA VAL 83 3.542 11.091 -10.715 653 HB VAL 83 HB VAL 83 1.432 11.781 -11.945 654 1HG1 VAL 83 1HG1 VAL 83 0.159 10.856 -9.712 655 2HG1 VAL 83 2HG1 VAL 83 -0.564 11.982 -10.860 656 3HG1 VAL 83 3HG1 VAL 83 0.191 12.588 -9.385 657 1HG2 VAL 83 1HG2 VAL 83 3.233 13.318 -10.834 658 2HG2 VAL 83 2HG2 VAL 83 1.969 13.659 -9.652 659 3HG2 VAL 83 3HG2 VAL 83 1.710 14.039 -11.355 660 H GLY 84 H GLY 84 1.759 9.158 -8.642 661 1HA GLY 84 2HA GLY 84 1.783 8.980 -6.300 662 2HA GLY 84 1HA GLY 84 3.055 10.204 -6.294 663 H ILE 85 H ILE 85 1.313 10.489 -4.286 664 HA ILE 85 HA ILE 85 -0.707 12.485 -5.206 665 HB ILE 85 HB ILE 85 -0.487 10.912 -2.622 666 1HG1 ILE 85 2HG1 ILE 85 -2.835 10.201 -3.510 667 2HG1 ILE 85 1HG1 ILE 85 -2.256 10.808 -5.062 668 1HG2 ILE 85 1HG2 ILE 85 -2.198 13.240 -3.451 669 2HG2 ILE 85 2HG2 ILE 85 -1.414 12.934 -1.900 670 3HG2 ILE 85 3HG2 ILE 85 -2.856 12.025 -2.358 671 1HD1 ILE 85 1HD1 ILE 85 -1.850 8.263 -4.234 672 2HD1 ILE 85 2HD1 ILE 85 -0.394 9.024 -3.590 673 3HD1 ILE 85 3HD1 ILE 85 -0.745 9.109 -5.317 674 H LYS 86 H LYS 86 -0.582 14.596 -4.464 675 HA LYS 86 HA LYS 86 1.939 15.340 -3.108 676 1HB LYS 86 2HB LYS 86 -0.268 17.001 -4.364 677 2HB LYS 86 1HB LYS 86 1.179 17.679 -3.615 678 1HG LYS 86 2HG LYS 86 2.610 16.685 -5.235 679 2HG LYS 86 1HG LYS 86 1.334 15.616 -5.819 680 1HD LYS 86 2HD LYS 86 0.796 17.160 -7.363 681 2HD LYS 86 1HD LYS 86 0.345 18.262 -6.060 682 1HE LYS 86 2HE LYS 86 2.801 18.879 -5.879 683 2HE LYS 86 1HE LYS 86 3.058 17.975 -7.371 684 1HZ LYS 86 1HZ LYS 86 1.944 20.575 -7.002 685 2HZ LYS 86 2HZ LYS 86 0.900 19.571 -7.891 686 3HZ LYS 86 3HZ LYS 86 2.492 19.830 -8.424 687 H LYS 87 H LYS 87 -1.437 14.970 -2.417 688 HA LYS 87 HA LYS 87 -1.184 16.525 0.102 689 1HB LYS 87 2HB LYS 87 -3.274 16.229 -1.698 690 2HB LYS 87 1HB LYS 87 -3.730 15.155 -0.375 691 1HG LYS 87 2HG LYS 87 -3.677 16.908 1.216 692 2HG LYS 87 1HG LYS 87 -2.765 17.968 0.141 693 1HD LYS 87 2HD LYS 87 -5.179 17.205 -1.193 694 2HD LYS 87 1HD LYS 87 -5.597 17.779 0.421 695 1HE LYS 87 2HE LYS 87 -5.562 19.757 -0.855 696 2HE LYS 87 1HE LYS 87 -3.970 19.741 -0.097 697 1HZ LYS 87 1HZ LYS 87 -4.521 18.642 -2.798 698 2HZ LYS 87 2HZ LYS 87 -3.003 18.877 -2.071 699 3HZ LYS 87 3HZ LYS 87 -3.948 20.215 -2.521 700 H LYS 88 H LYS 88 -0.605 15.444 1.913 701 HA LYS 88 HA LYS 88 -0.272 12.610 2.014 702 1HB LYS 88 2HB LYS 88 0.836 14.367 3.506 703 2HB LYS 88 1HB LYS 88 -0.670 14.395 4.423 704 1HG LYS 88 2HG LYS 88 -0.472 12.051 4.960 705 2HG LYS 88 1HG LYS 88 0.900 11.866 3.866 706 1HD LYS 88 2HD LYS 88 2.354 12.607 5.422 707 2HD LYS 88 1HD LYS 88 1.341 14.000 5.803 708 1HE LYS 88 2HE LYS 88 0.267 11.419 6.746 709 2HE LYS 88 1HE LYS 88 1.780 11.903 7.511 710 1HZ LYS 88 1HZ LYS 88 -0.192 14.005 7.218 711 2HZ LYS 88 2HZ LYS 88 0.813 13.630 8.535 712 3HZ LYS 88 3HZ LYS 88 -0.625 12.760 8.286 713 H GLU 89 H GLU 89 -3.078 14.529 2.267 714 HA GLU 89 HA GLU 89 -4.605 12.926 4.089 715 1HB GLU 89 2HB GLU 89 -5.145 15.078 2.132 716 2HB GLU 89 1HB GLU 89 -6.500 13.995 2.450 717 1HG GLU 89 2HG GLU 89 -5.551 14.425 4.983 718 2HG GLU 89 1HG GLU 89 -5.231 15.984 4.220 719 H GLU 90 H GLU 90 -4.675 13.046 0.502 720 HA GLU 90 HA GLU 90 -6.333 10.701 0.277 721 1HB GLU 90 2HB GLU 90 -4.608 12.256 -1.641 722 2HB GLU 90 1HB GLU 90 -5.353 10.737 -2.138 723 1HG GLU 90 2HG GLU 90 -7.546 11.772 -1.177 724 2HG GLU 90 1HG GLU 90 -6.686 13.306 -1.311 725 H ARG 91 H ARG 91 -2.816 11.214 0.126 726 HA ARG 91 HA ARG 91 -2.051 8.606 -0.655 727 1HB ARG 91 2HB ARG 91 -0.608 10.744 -0.242 728 2HB ARG 91 1HB ARG 91 -0.497 10.145 1.414 729 1HG ARG 91 2HG ARG 91 0.684 8.237 0.789 730 2HG ARG 91 1HG ARG 91 0.058 8.267 -0.861 731 1HD ARG 91 2HD ARG 91 2.542 9.019 -0.381 732 2HD ARG 91 1HD ARG 91 1.561 9.907 -1.547 733 HE ARG 91 HE ARG 91 1.561 10.873 1.258 734 1HH1 ARG 91 1HH1 ARG 91 3.422 10.997 -1.564 735 2HH1 ARG 91 2HH1 ARG 91 3.494 12.726 -1.637 736 1HH2 ARG 91 1HH2 ARG 91 1.261 13.194 0.973 737 2HH2 ARG 91 2HH2 ARG 91 2.267 13.969 -0.203 738 H ALA 92 H ALA 92 -2.652 9.905 2.612 739 HA ALA 92 HA ALA 92 -2.057 7.474 3.993 740 1HB ALA 92 1HB ALA 92 -2.128 9.302 5.428 741 2HB ALA 92 2HB ALA 92 -3.711 8.587 5.729 742 3HB ALA 92 3HB ALA 92 -3.562 9.979 4.658 743 H ASP 93 H ASP 93 -5.179 8.866 2.937 744 HA ASP 93 HA ASP 93 -6.809 6.727 3.843 745 1HB ASP 93 2HB ASP 93 -7.176 9.111 2.379 746 2HB ASP 93 1HB ASP 93 -7.809 7.816 1.360 747 H LEU 94 H LEU 94 -4.627 6.932 1.160 748 HA LEU 94 HA LEU 94 -5.828 4.826 -0.432 749 1HB LEU 94 2HB LEU 94 -3.147 6.196 -0.384 750 2HB LEU 94 1HB LEU 94 -3.388 4.756 -1.374 751 HG LEU 94 HG LEU 94 -5.235 7.147 -1.505 752 1HD1 LEU 94 1HD1 LEU 94 -2.935 7.833 -2.116 753 2HD1 LEU 94 2HD1 LEU 94 -3.994 7.814 -3.526 754 3HD1 LEU 94 3HD1 LEU 94 -2.850 6.498 -3.267 755 1HD2 LEU 94 1HD2 LEU 94 -4.821 4.605 -3.059 756 2HD2 LEU 94 2HD2 LEU 94 -5.485 6.022 -3.871 757 3HD2 LEU 94 3HD2 LEU 94 -6.327 5.324 -2.487 758 H ILE 95 H ILE 95 -2.835 4.859 1.541 759 HA ILE 95 HA ILE 95 -2.402 2.066 1.497 760 HB ILE 95 HB ILE 95 -1.791 3.870 3.851 761 1HG1 ILE 95 2HG1 ILE 95 -0.928 5.126 2.059 762 2HG1 ILE 95 1HG1 ILE 95 0.446 4.123 2.524 763 1HG2 ILE 95 1HG2 ILE 95 -1.403 1.323 3.895 764 2HG2 ILE 95 2HG2 ILE 95 -0.028 2.349 4.301 765 3HG2 ILE 95 3HG2 ILE 95 -0.141 1.619 2.700 766 1HD1 ILE 95 1HD1 ILE 95 -1.403 3.803 0.166 767 2HD1 ILE 95 2HD1 ILE 95 -0.465 2.437 0.774 768 3HD1 ILE 95 3HD1 ILE 95 0.360 3.880 0.181 769 H ALA 96 H ALA 96 -4.109 4.029 3.917 770 HA ALA 96 HA ALA 96 -4.909 1.936 5.636 771 1HB ALA 96 1HB ALA 96 -7.029 3.861 5.420 772 2HB ALA 96 2HB ALA 96 -5.482 4.702 5.328 773 3HB ALA 96 3HB ALA 96 -5.846 3.673 6.714 774 H TYR 97 H TYR 97 -6.385 3.124 2.644 775 HA TYR 97 HA TYR 97 -8.834 1.753 2.723 776 1HB TYR 97 2HB TYR 97 -8.585 3.202 0.893 777 2HB TYR 97 1HB TYR 97 -6.994 2.568 0.484 778 HD1 TYR 97 HD1 TYR 97 -6.945 1.382 -1.518 779 HD2 TYR 97 HD2 TYR 97 -10.415 1.107 0.993 780 HE1 TYR 97 HE1 TYR 97 -7.977 -0.205 -3.119 781 HE2 TYR 97 HE2 TYR 97 -11.448 -0.476 -0.609 782 HH TYR 97 HH TYR 97 -9.695 -1.560 -3.513 783 H LEU 98 H LEU 98 -5.706 0.597 1.451 784 HA LEU 98 HA LEU 98 -6.798 -2.101 1.084 785 1HB LEU 98 2HB LEU 98 -4.090 -0.842 0.666 786 2HB LEU 98 1HB LEU 98 -4.314 -2.590 0.554 787 HG LEU 98 HG LEU 98 -6.390 -1.134 -0.888 788 1HD1 LEU 98 1HD1 LEU 98 -3.789 -0.022 -1.066 789 2HD1 LEU 98 2HD1 LEU 98 -5.186 0.342 -2.078 790 3HD1 LEU 98 3HD1 LEU 98 -4.055 -0.925 -2.557 791 1HD2 LEU 98 1HD2 LEU 98 -5.185 -2.650 -2.732 792 2HD2 LEU 98 2HD2 LEU 98 -6.233 -3.354 -1.499 793 3HD2 LEU 98 3HD2 LEU 98 -4.481 -3.397 -1.297 794 H LYS 99 H LYS 99 -5.437 -0.360 3.669 795 HA LYS 99 HA LYS 99 -4.227 -2.647 5.001 796 1HB LYS 99 2HB LYS 99 -3.790 -0.034 5.295 797 2HB LYS 99 1HB LYS 99 -5.054 -0.208 6.514 798 1HG LYS 99 2HG LYS 99 -3.382 -2.407 6.938 799 2HG LYS 99 1HG LYS 99 -2.275 -1.074 6.610 800 1HD LYS 99 2HD LYS 99 -4.578 -0.643 8.488 801 2HD LYS 99 1HD LYS 99 -3.135 -1.478 9.065 802 1HE LYS 99 2HE LYS 99 -1.731 0.396 8.508 803 2HE LYS 99 1HE LYS 99 -3.047 1.200 7.654 804 1HZ LYS 99 1HZ LYS 99 -2.521 1.017 10.501 805 2HZ LYS 99 2HZ LYS 99 -4.148 0.827 10.050 806 3HZ LYS 99 3HZ LYS 99 -3.304 2.236 9.616 807 H LYS 100 H LYS 100 -7.381 -1.542 4.496 808 HA LYS 100 HA LYS 100 -8.367 -2.972 6.929 809 1HB LYS 100 2HB LYS 100 -9.372 -0.650 5.344 810 2HB LYS 100 1HB LYS 100 -10.576 -1.736 6.038 811 1HG LYS 100 2HG LYS 100 -10.322 -0.576 7.959 812 2HG LYS 100 1HG LYS 100 -8.755 -1.372 8.109 813 1HD LYS 100 2HD LYS 100 -8.513 1.077 8.284 814 2HD LYS 100 1HD LYS 100 -7.697 0.466 6.845 815 1HE LYS 100 2HE LYS 100 -9.188 1.452 5.411 816 2HE LYS 100 1HE LYS 100 -10.549 1.238 6.513 817 1HZ LYS 100 1HZ LYS 100 -9.902 3.082 7.774 818 2HZ LYS 100 2HZ LYS 100 -9.725 3.586 6.161 819 3HZ LYS 100 3HZ LYS 100 -8.360 3.147 7.072 820 H ALA 101 H ALA 101 -8.796 -2.630 3.413 821 HA ALA 101 HA ALA 101 -10.750 -4.778 3.300 822 1HB ALA 101 1HB ALA 101 -9.284 -3.144 1.238 823 2HB ALA 101 2HB ALA 101 -11.011 -3.170 1.595 824 3HB ALA 101 3HB ALA 101 -10.261 -4.536 0.769 825 H THR 102 H THR 102 -7.407 -4.432 2.050 826 HA THR 102 HA THR 102 -7.254 -7.396 1.891 827 HB THR 102 HB THR 102 -4.877 -6.461 0.883 828 HG1 THR 102 HG1 THR 102 -5.112 -4.490 0.234 829 1HG2 THR 102 1HG2 THR 102 -7.557 -7.017 -0.382 830 2HG2 THR 102 2HG2 THR 102 -6.126 -8.048 -0.336 831 3HG2 THR 102 3HG2 THR 102 -6.148 -6.617 -1.366 832 H ASN 103 H ASN 103 -7.127 -5.912 4.454 833 HA ASN 103 HA ASN 103 -4.812 -7.263 5.540 834 1HB ASN 103 2HB ASN 103 -3.888 -5.097 4.529 835 2HB ASN 103 1HB ASN 103 -4.790 -4.253 5.788 836 1HD2 ASN 103 1HD2 ASN 103 -2.436 -6.971 5.460 837 2HD2 ASN 103 2HD2 ASN 103 -1.624 -6.635 6.913 838 H GLU 104 HN GLU 104 -7.104 -7.925 6.418 839 HA GLU 104 HA GLU 104 -8.077 -6.120 8.545 840 1HB GLU 104 2HB GLU 104 -9.002 -8.827 7.544 841 2HB GLU 104 1HB GLU 104 -9.744 -7.997 8.912 842 1HG GLU 104 2HG GLU 104 -9.988 -5.982 7.308 843 2HG GLU 104 1HG GLU 104 -9.671 -7.144 6.020 844 HHA HEC 105 HHA HEC 105 4.091 -2.963 -9.216 845 HHB HEC 105 HHB HEC 105 1.233 0.856 -5.065 846 HHC HEC 105 HHC HEC 105 -1.718 3.821 -9.813 847 HHD HEC 105 HHD HEC 105 1.029 -0.090 -13.942 848 1HMA HEC 105 1HMA HEC 105 3.631 -0.363 -4.131 849 2HMA HEC 105 2HMA HEC 105 3.395 -2.112 -4.150 850 3HMA HEC 105 3HMA HEC 105 2.006 -1.035 -3.995 851 1HAA HEC 105 1HAA HEC 105 4.992 -2.793 -5.682 852 2HAA HEC 105 2HAA HEC 105 5.001 -3.238 -7.380 853 1HBA HEC 105 1HBA HEC 105 2.651 -4.343 -6.663 854 2HBA HEC 105 2HBA HEC 105 3.498 -4.436 -5.117 855 1HMB HEC 105 1HMB HEC 105 -0.493 3.971 -4.624 856 2HMB HEC 105 2HMB HEC 105 0.224 2.403 -4.253 857 3HMB HEC 105 3HMB HEC 105 -1.522 2.547 -4.463 858 HAB HEC 105 HAB HEC 105 -2.149 4.883 -8.084 859 1HBB HEC 105 1HBB HEC 105 -0.549 5.534 -6.123 860 2HBB HEC 105 2HBB HEC 105 -1.977 5.170 -5.155 861 3HBB HEC 105 3HBB HEC 105 -2.061 6.390 -6.425 862 1HMC HEC 105 1HMC HEC 105 -2.963 3.415 -12.983 863 2HMC HEC 105 2HMC HEC 105 -2.350 4.355 -11.622 864 3HMC HEC 105 3HMC HEC 105 -1.620 4.534 -13.218 865 HAC HEC 105 HAC HEC 105 0.083 1.385 -15.034 866 1HBC HEC 105 1HBC HEC 105 -2.012 3.398 -15.310 867 2HBC HEC 105 2HBC HEC 105 -0.493 3.184 -16.179 868 3HBC HEC 105 3HBC HEC 105 -0.499 3.950 -14.591 869 1HMD HEC 105 1HMD HEC 105 3.576 -1.469 -14.642 870 2HMD HEC 105 2HMD HEC 105 3.116 -3.147 -14.347 871 3HMD HEC 105 3HMD HEC 105 1.877 -1.939 -14.691 872 1HAD HEC 105 1HAD HEC 105 4.189 -4.220 -10.999 873 2HAD HEC 105 2HAD HEC 105 4.021 -4.177 -12.747 874 1HBD HEC 105 1HBD HEC 105 6.359 -3.736 -11.321 875 2HBD HEC 105 2HBD HEC 105 5.838 -2.114 -11.765 Start of MODEL 15 1 1H GLY 1 1HT GLY 1 -8.685 10.404 8.019 2 2H GLY 1 2HT GLY 1 -9.994 9.946 9.002 3 3H GLY 1 3HT GLY 1 -9.797 11.572 8.548 4 1HA GLY 1 1HA GLY 1 -10.959 11.276 6.705 5 2HA GLY 1 2HA GLY 1 -9.892 9.953 6.236 6 H ASP 2 H ASP 2 -11.565 8.569 5.521 7 HA ASP 2 HA ASP 2 -13.039 7.224 7.694 8 1HB ASP 2 2HB ASP 2 -14.293 9.182 6.064 9 2HB ASP 2 1HB ASP 2 -14.891 7.611 5.530 10 H VAL 3 H VAL 3 -14.570 5.487 6.338 11 HA VAL 3 HA VAL 3 -12.579 4.004 4.706 12 HB VAL 3 HB VAL 3 -13.752 2.939 6.695 13 1HG1 VAL 3 1HG1 VAL 3 -16.078 2.117 6.204 14 2HG1 VAL 3 2HG1 VAL 3 -16.093 3.157 4.780 15 3HG1 VAL 3 3HG1 VAL 3 -15.974 3.867 6.390 16 1HG2 VAL 3 1HG2 VAL 3 -13.433 0.927 5.685 17 2HG2 VAL 3 2HG2 VAL 3 -12.951 1.879 4.282 18 3HG2 VAL 3 3HG2 VAL 3 -14.605 1.280 4.415 19 H GLU 4 H GLU 4 -15.810 5.412 4.525 20 HA GLU 4 HA GLU 4 -16.526 4.263 1.990 21 1HB GLU 4 2HB GLU 4 -17.448 6.709 3.503 22 2HB GLU 4 1HB GLU 4 -18.091 6.313 1.909 23 1HG GLU 4 2HG GLU 4 -18.018 4.066 3.836 24 2HG GLU 4 1HG GLU 4 -19.148 5.363 4.229 25 H LYS 5 H LYS 5 -14.887 7.287 2.897 26 HA LYS 5 HA LYS 5 -14.737 8.298 0.193 27 1HB LYS 5 2HB LYS 5 -13.657 9.033 2.844 28 2HB LYS 5 1HB LYS 5 -12.649 9.506 1.476 29 1HG LYS 5 2HG LYS 5 -15.128 10.204 0.564 30 2HG LYS 5 1HG LYS 5 -15.303 10.510 2.293 31 1HD LYS 5 2HD LYS 5 -13.089 11.592 0.522 32 2HD LYS 5 1HD LYS 5 -14.460 12.517 1.136 33 1HE LYS 5 2HE LYS 5 -13.533 12.744 3.193 34 2HE LYS 5 1HE LYS 5 -12.990 11.066 3.227 35 1HZ LYS 5 1HZ LYS 5 -11.039 12.303 3.157 36 2HZ LYS 5 2HZ LYS 5 -11.654 13.408 2.021 37 3HZ LYS 5 3HZ LYS 5 -11.259 11.826 1.544 38 H GLY 6 H GLY 6 -12.185 6.937 2.313 39 1HA GLY 6 1HA GLY 6 -10.135 6.760 0.426 40 2HA GLY 6 2HA GLY 6 -10.327 5.612 1.751 41 H LYS 7 H LYS 7 -12.917 4.618 0.847 42 HA LYS 7 HA LYS 7 -12.077 2.481 -0.815 43 1HB LYS 7 2HB LYS 7 -14.135 2.436 0.581 44 2HB LYS 7 1HB LYS 7 -14.887 3.588 -0.523 45 1HG LYS 7 2HG LYS 7 -14.299 1.877 -2.380 46 2HG LYS 7 1HG LYS 7 -14.079 0.732 -1.056 47 1HD LYS 7 2HD LYS 7 -16.441 1.671 -0.295 48 2HD LYS 7 1HD LYS 7 -16.582 2.071 -2.007 49 1HE LYS 7 2HE LYS 7 -15.890 -0.332 -2.498 50 2HE LYS 7 1HE LYS 7 -16.117 -0.656 -0.780 51 1HZ LYS 7 1HZ LYS 7 -18.057 -0.583 -2.770 52 2HZ LYS 7 2HZ LYS 7 -18.340 0.759 -1.767 53 3HZ LYS 7 3HZ LYS 7 -18.288 -0.804 -1.104 54 H LYS 8 H LYS 8 -13.781 5.498 -1.680 55 HA LYS 8 HA LYS 8 -13.839 4.842 -4.510 56 1HB LYS 8 2HB LYS 8 -14.607 7.139 -2.801 57 2HB LYS 8 1HB LYS 8 -14.164 7.539 -4.460 58 1HG LYS 8 2HG LYS 8 -15.764 5.808 -5.272 59 2HG LYS 8 1HG LYS 8 -16.254 5.517 -3.603 60 1HD LYS 8 2HD LYS 8 -17.642 7.286 -3.650 61 2HD LYS 8 1HD LYS 8 -16.328 8.348 -4.160 62 1HE LYS 8 2HE LYS 8 -17.293 8.484 -6.188 63 2HE LYS 8 1HE LYS 8 -16.968 6.765 -6.410 64 1HZ LYS 8 1HZ LYS 8 -19.443 8.053 -6.011 65 2HZ LYS 8 2HZ LYS 8 -19.171 6.963 -4.736 66 3HZ LYS 8 3HZ LYS 8 -19.138 6.419 -6.345 67 H ILE 9 H ILE 9 -11.583 6.445 -2.367 68 HA ILE 9 HA ILE 9 -10.073 7.892 -4.295 69 HB ILE 9 HB ILE 9 -9.103 6.538 -1.759 70 1HG1 ILE 9 2HG1 ILE 9 -10.152 9.336 -2.298 71 2HG1 ILE 9 1HG1 ILE 9 -10.960 8.091 -1.345 72 1HG2 ILE 9 1HG2 ILE 9 -7.185 7.133 -3.039 73 2HG2 ILE 9 2HG2 ILE 9 -7.409 8.465 -1.904 74 3HG2 ILE 9 3HG2 ILE 9 -7.923 8.641 -3.583 75 1HD1 ILE 9 1HD1 ILE 9 -8.432 9.604 -0.698 76 2HD1 ILE 9 2HD1 ILE 9 -8.797 8.062 0.078 77 3HD1 ILE 9 3HD1 ILE 9 -9.891 9.431 0.279 78 H PHE 10 H PHE 10 -9.467 4.605 -2.984 79 HA PHE 10 HA PHE 10 -7.381 4.071 -4.935 80 1HB PHE 10 2HB PHE 10 -7.466 2.919 -2.736 81 2HB PHE 10 1HB PHE 10 -8.971 2.137 -3.218 82 HD1 PHE 10 HD1 PHE 10 -8.885 0.858 -5.544 83 HD2 PHE 10 HD2 PHE 10 -5.447 1.815 -3.148 84 HE1 PHE 10 HE1 PHE 10 -7.589 -0.918 -6.690 85 HE2 PHE 10 HE2 PHE 10 -4.157 0.033 -4.294 86 HZ PHE 10 HZ PHE 10 -5.229 -1.332 -6.065 87 H ILE 11 H ILE 11 -10.776 3.045 -4.567 88 HA ILE 11 HA ILE 11 -10.941 1.400 -6.858 89 HB ILE 11 HB ILE 11 -13.012 3.150 -5.513 90 1HG1 ILE 11 2HG1 ILE 11 -12.072 1.220 -4.238 91 2HG1 ILE 11 1HG1 ILE 11 -13.787 1.015 -4.601 92 1HG2 ILE 11 1HG2 ILE 11 -13.452 1.016 -7.625 93 2HG2 ILE 11 2HG2 ILE 11 -13.572 2.751 -7.919 94 3HG2 ILE 11 3HG2 ILE 11 -14.700 1.963 -6.815 95 1HD1 ILE 11 1HD1 ILE 11 -11.709 -0.772 -5.230 96 2HD1 ILE 11 2HD1 ILE 11 -12.155 -0.021 -6.763 97 3HD1 ILE 11 3HD1 ILE 11 -13.377 -0.849 -5.796 98 H MET 12 H MET 12 -10.512 4.801 -6.649 99 HA MET 12 HA MET 12 -11.175 5.037 -9.557 100 1HB MET 12 2HB MET 12 -12.639 6.372 -7.973 101 2HB MET 12 1HB MET 12 -11.199 7.291 -7.534 102 1HG MET 12 2HG MET 12 -11.027 7.420 -10.236 103 2HG MET 12 1HG MET 12 -12.779 7.338 -10.046 104 1HE MET 12 1HE MET 12 -10.811 10.215 -11.022 105 2HE MET 12 2HE MET 12 -9.783 9.047 -10.197 106 3HE MET 12 3HE MET 12 -9.952 10.675 -9.546 107 H LYS 13 H LYS 13 -8.685 5.024 -7.292 108 HA LYS 13 HA LYS 13 -7.004 6.878 -8.905 109 1HB LYS 13 2HB LYS 13 -7.009 7.217 -6.454 110 2HB LYS 13 1HB LYS 13 -6.441 5.564 -6.230 111 1HG LYS 13 2HG LYS 13 -4.555 7.144 -6.127 112 2HG LYS 13 1HG LYS 13 -4.404 6.084 -7.528 113 1HD LYS 13 2HD LYS 13 -3.920 8.377 -8.203 114 2HD LYS 13 1HD LYS 13 -5.438 7.867 -8.939 115 1HE LYS 13 2HE LYS 13 -6.638 8.951 -6.989 116 2HE LYS 13 1HE LYS 13 -5.083 9.625 -6.499 117 1HZ LYS 13 1HZ LYS 13 -4.955 10.923 -8.389 118 2HZ LYS 13 2HZ LYS 13 -6.607 11.010 -8.004 119 3HZ LYS 13 3HZ LYS 13 -6.075 9.986 -9.252 120 H CYS 14 H CYS 14 -6.425 3.759 -7.226 121 HA CYS 14 HA CYS 14 -4.783 2.975 -9.600 122 1HB CYS 14 2HB CYS 14 -4.376 1.303 -7.248 123 2HB CYS 14 1HB CYS 14 -3.188 2.189 -8.195 124 H SER 15 H SER 15 -7.721 2.653 -9.266 125 HA SER 15 HA SER 15 -8.044 -0.257 -8.872 126 1HB SER 15 2HB SER 15 -9.701 1.681 -8.201 127 2HB SER 15 1HB SER 15 -10.228 1.537 -9.873 128 HG SER 15 HG SER 15 -11.131 -0.306 -9.407 129 H GLN 16 H GLN 16 -7.026 1.661 -11.365 130 HA GLN 16 HA GLN 16 -8.418 0.138 -13.491 131 1HB GLN 16 2HB GLN 16 -6.398 2.399 -13.649 132 2HB GLN 16 1HB GLN 16 -7.248 1.691 -15.019 133 1HG GLN 16 2HG GLN 16 -8.471 3.196 -12.694 134 2HG GLN 16 1HG GLN 16 -8.438 3.695 -14.386 135 1HE2 GLN 16 1HE2 GLN 16 -9.327 1.609 -15.835 136 2HE2 GLN 16 2HE2 GLN 16 -10.839 1.051 -15.302 137 H CYS 17 H CYS 17 -5.242 0.598 -12.033 138 HA CYS 17 HA CYS 17 -4.148 -1.517 -13.820 139 1HB CYS 17 2HB CYS 17 -2.897 0.675 -12.175 140 2HB CYS 17 1HB CYS 17 -1.943 -0.732 -12.647 141 H HIS 18 H HIS 18 -5.015 -0.779 -10.512 142 HA HIS 18 HA HIS 18 -4.023 -3.493 -9.721 143 1HB HIS 18 2HB HIS 18 -4.449 -1.047 -7.980 144 2HB HIS 18 1HB HIS 18 -3.997 -2.640 -7.386 145 HD1 HIS 18 HD1 HIS 18 -1.549 -3.329 -7.605 146 HD2 HIS 18 HD2 HIS 18 -2.419 0.245 -9.548 147 HE1 HIS 18 HE1 HIS 18 0.678 -2.314 -8.268 148 H THR 19 H THR 19 -6.139 -4.273 -10.587 149 HA THR 19 HA THR 19 -8.564 -3.399 -9.207 150 HB THR 19 HB THR 19 -9.698 -5.057 -10.532 151 HG1 THR 19 HG1 THR 19 -7.125 -6.159 -10.657 152 1HG2 THR 19 1HG2 THR 19 -7.498 -3.526 -11.848 153 2HG2 THR 19 2HG2 THR 19 -9.244 -3.376 -12.046 154 3HG2 THR 19 3HG2 THR 19 -8.380 -4.701 -12.824 155 H VAL 20 H VAL 20 -8.232 -3.803 -7.002 156 HA VAL 20 HA VAL 20 -7.261 -6.407 -6.095 157 HB VAL 20 HB VAL 20 -7.234 -5.466 -3.942 158 1HG1 VAL 20 1HG1 VAL 20 -7.102 -2.958 -5.615 159 2HG1 VAL 20 2HG1 VAL 20 -5.870 -4.215 -5.733 160 3HG1 VAL 20 3HG1 VAL 20 -6.139 -3.384 -4.201 161 1HG2 VAL 20 1HG2 VAL 20 -8.602 -3.231 -3.613 162 2HG2 VAL 20 2HG2 VAL 20 -9.426 -4.785 -3.489 163 3HG2 VAL 20 3HG2 VAL 20 -9.544 -3.839 -4.974 164 H GLU 21 H GLU 21 -9.926 -6.121 -7.604 165 HA GLU 21 HA GLU 21 -11.419 -7.907 -5.799 166 1HB GLU 21 2HB GLU 21 -12.294 -5.150 -6.552 167 2HB GLU 21 1HB GLU 21 -13.520 -6.418 -6.510 168 1HG GLU 21 2HG GLU 21 -12.284 -6.965 -4.187 169 2HG GLU 21 1HG GLU 21 -11.936 -5.238 -4.279 170 H LYS 22 H LYS 22 -10.057 -7.783 -8.573 171 HA LYS 22 HA LYS 22 -12.342 -8.361 -10.351 172 1HB LYS 22 2HB LYS 22 -10.451 -7.100 -11.269 173 2HB LYS 22 1HB LYS 22 -9.349 -8.412 -10.849 174 1HG LYS 22 2HG LYS 22 -10.524 -9.928 -12.367 175 2HG LYS 22 1HG LYS 22 -11.701 -8.671 -12.746 176 1HD LYS 22 2HD LYS 22 -8.971 -7.728 -13.119 177 2HD LYS 22 1HD LYS 22 -9.307 -9.152 -14.104 178 1HE LYS 22 2HE LYS 22 -11.428 -8.018 -14.871 179 2HE LYS 22 1HE LYS 22 -10.876 -6.562 -14.042 180 1HZ LYS 22 1HZ LYS 22 -8.715 -7.108 -15.432 181 2HZ LYS 22 2HZ LYS 22 -9.986 -6.177 -16.069 182 3HZ LYS 22 3HZ LYS 22 -9.853 -7.824 -16.465 183 H GLY 23 H GLY 23 -10.159 -10.057 -8.300 184 1HA GLY 23 2HA GLY 23 -11.130 -12.454 -7.973 185 2HA GLY 23 1HA GLY 23 -10.760 -12.627 -9.690 186 H GLY 24 H GLY 24 -8.309 -10.902 -9.353 187 1HA GLY 24 1HA GLY 24 -6.311 -11.349 -7.743 188 2HA GLY 24 2HA GLY 24 -6.585 -13.037 -8.177 189 H LYS 25 H LYS 25 -7.364 -11.327 -10.887 190 HA LYS 25 HA LYS 25 -4.763 -11.958 -12.126 191 1HB LYS 25 2HB LYS 25 -7.237 -12.304 -13.064 192 2HB LYS 25 1HB LYS 25 -6.988 -10.656 -13.637 193 1HG LYS 25 2HG LYS 25 -5.963 -11.639 -15.412 194 2HG LYS 25 1HG LYS 25 -4.605 -11.860 -14.306 195 1HD LYS 25 2HD LYS 25 -5.545 -14.066 -13.637 196 2HD LYS 25 1HD LYS 25 -6.832 -13.852 -14.824 197 1HE LYS 25 2HE LYS 25 -4.650 -13.370 -16.376 198 2HE LYS 25 1HE LYS 25 -3.981 -14.537 -15.235 199 1HZ LYS 25 1HZ LYS 25 -6.115 -14.873 -17.205 200 2HZ LYS 25 2HZ LYS 25 -6.238 -15.747 -15.753 201 3HZ LYS 25 3HZ LYS 25 -4.880 -15.944 -16.755 202 H HIS 26 H HIS 26 -3.775 -10.261 -13.604 203 HA HIS 26 HA HIS 26 -4.304 -7.498 -12.620 204 1HB HIS 26 2HB HIS 26 -1.626 -7.386 -12.977 205 2HB HIS 26 1HB HIS 26 -2.372 -7.739 -11.424 206 HD1 HIS 26 HD1 HIS 26 -2.020 -10.089 -14.394 207 HD2 HIS 26 HD2 HIS 26 -0.671 -9.735 -10.461 208 HE1 HIS 26 HE1 HIS 26 -0.750 -12.217 -13.877 209 H LYS 27 H LYS 27 -4.978 -6.454 -14.432 210 HA LYS 27 HA LYS 27 -4.168 -7.216 -17.095 211 1HB LYS 27 2HB LYS 27 -6.313 -6.151 -16.823 212 2HB LYS 27 1HB LYS 27 -5.582 -4.768 -16.008 213 1HG LYS 27 2HG LYS 27 -4.779 -3.860 -17.970 214 2HG LYS 27 1HG LYS 27 -4.596 -5.434 -18.745 215 1HD LYS 27 2HD LYS 27 -7.205 -5.518 -18.631 216 2HD LYS 27 1HD LYS 27 -7.082 -3.771 -18.421 217 1HE LYS 27 2HE LYS 27 -7.259 -4.024 -20.757 218 2HE LYS 27 1HE LYS 27 -5.524 -3.845 -20.495 219 1HZ LYS 27 1HZ LYS 27 -7.062 -6.236 -21.204 220 2HZ LYS 27 2HZ LYS 27 -5.659 -6.429 -20.267 221 3HZ LYS 27 3HZ LYS 27 -5.566 -5.698 -21.797 222 H THR 28 H THR 28 -3.770 -3.973 -15.661 223 HA THR 28 HA THR 28 -1.112 -3.818 -16.998 224 HB THR 28 HB THR 28 -2.805 -1.630 -15.744 225 HG1 THR 28 HG1 THR 28 -2.652 -2.766 -18.262 226 1HG2 THR 28 1HG2 THR 28 -0.720 -0.673 -15.682 227 2HG2 THR 28 2HG2 THR 28 -1.092 -0.353 -17.377 228 3HG2 THR 28 3HG2 THR 28 -0.083 -1.732 -16.941 229 H GLY 29 H GLY 29 -2.591 -2.778 -13.904 230 1HA GLY 29 2HA GLY 29 0.033 -2.811 -12.592 231 2HA GLY 29 1HA GLY 29 -1.500 -2.391 -11.833 232 HA PRO 30 HA PRO 30 -0.143 -6.925 -11.070 233 1HB PRO 30 2HB PRO 30 1.052 -6.584 -8.609 234 2HB PRO 30 1HB PRO 30 1.933 -6.614 -10.148 235 1HG PRO 30 2HG PRO 30 1.161 -4.249 -8.470 236 2HG PRO 30 1HG PRO 30 2.617 -4.502 -9.452 237 1HD PRO 30 2HD PRO 30 0.488 -2.948 -10.285 238 2HD PRO 30 1HD PRO 30 1.601 -3.774 -11.390 239 H ASN 31 H ASN 31 -1.502 -8.216 -9.855 240 HA ASN 31 HA ASN 31 -3.899 -7.177 -8.806 241 1HB ASN 31 2HB ASN 31 -3.732 -9.493 -9.497 242 2HB ASN 31 1HB ASN 31 -2.511 -9.817 -8.267 243 1HD2 ASN 31 1HD2 ASN 31 -5.715 -8.138 -8.170 244 2HD2 ASN 31 2HD2 ASN 31 -6.314 -9.050 -6.872 245 H LEU 32 H LEU 32 -3.692 -5.616 -7.218 246 HA LEU 32 HA LEU 32 -1.945 -6.050 -4.913 247 1HB LEU 32 2HB LEU 32 -3.370 -3.818 -6.114 248 2HB LEU 32 1HB LEU 32 -3.605 -3.866 -4.368 249 HG LEU 32 HG LEU 32 -1.303 -3.661 -3.926 250 1HD1 LEU 32 1HD1 LEU 32 0.104 -3.733 -6.320 251 2HD1 LEU 32 2HD1 LEU 32 -1.067 -5.041 -6.493 252 3HD1 LEU 32 3HD1 LEU 32 0.043 -5.026 -5.122 253 1HD2 LEU 32 1HD2 LEU 32 -2.423 -1.939 -6.010 254 2HD2 LEU 32 2HD2 LEU 32 -0.661 -1.992 -6.059 255 3HD2 LEU 32 3HD2 LEU 32 -1.487 -1.501 -4.581 256 H HIS 33 H HIS 33 -3.593 -8.146 -4.817 257 HA HIS 33 HA HIS 33 -5.904 -7.437 -3.092 258 1HB HIS 33 2HB HIS 33 -6.689 -9.670 -3.470 259 2HB HIS 33 1HB HIS 33 -6.110 -9.082 -5.027 260 HD1 HIS 33 HD1 HIS 33 -6.146 -12.078 -4.682 261 HD2 HIS 33 HD2 HIS 33 -2.866 -9.757 -3.572 262 HE1 HIS 33 HE1 HIS 33 -4.147 -13.633 -4.647 263 H GLY 34 H GLY 34 -3.532 -6.904 -1.834 264 1HA GLY 34 2HA GLY 34 -3.342 -7.610 0.622 265 2HA GLY 34 1HA GLY 34 -3.126 -9.241 -0.013 266 H LEU 35 H LEU 35 -1.766 -5.982 -0.601 267 HA LEU 35 HA LEU 35 0.804 -7.108 -1.361 268 1HB LEU 35 2HB LEU 35 -0.143 -4.994 -2.333 269 2HB LEU 35 1HB LEU 35 0.101 -4.225 -0.765 270 HG LEU 35 HG LEU 35 2.561 -5.233 -1.090 271 1HD1 LEU 35 1HD1 LEU 35 1.619 -4.655 -3.915 272 2HD1 LEU 35 2HD1 LEU 35 1.923 -6.271 -3.276 273 3HD1 LEU 35 3HD1 LEU 35 3.249 -5.118 -3.426 274 1HD2 LEU 35 1HD2 LEU 35 2.116 -2.797 -2.720 275 2HD2 LEU 35 2HD2 LEU 35 3.165 -3.040 -1.324 276 3HD2 LEU 35 3HD2 LEU 35 1.441 -2.748 -1.092 277 H PHE 36 H PHE 36 -0.615 -5.682 1.522 278 HA PHE 36 HA PHE 36 1.769 -5.138 2.970 279 1HB PHE 36 2HB PHE 36 -0.863 -6.117 4.111 280 2HB PHE 36 1HB PHE 36 0.377 -5.190 4.958 281 HD1 PHE 36 HD1 PHE 36 -2.730 -4.680 4.001 282 HD2 PHE 36 HD2 PHE 36 1.158 -3.205 2.919 283 HE1 PHE 36 HE1 PHE 36 -3.754 -2.572 3.192 284 HE2 PHE 36 HE2 PHE 36 0.132 -1.097 2.113 285 HZ PHE 36 HZ PHE 36 -2.323 -0.780 2.249 286 H GLY 37 H GLY 37 3.151 -6.435 4.127 287 1HA GLY 37 2HA GLY 37 4.136 -8.385 4.971 288 2HA GLY 37 1HA GLY 37 2.510 -9.051 5.100 289 H ARG 38 H ARG 38 3.769 -7.927 2.017 290 HA ARG 38 HA ARG 38 4.314 -10.743 1.220 291 1HB ARG 38 2HB ARG 38 1.989 -10.347 0.582 292 2HB ARG 38 1HB ARG 38 2.444 -8.851 -0.236 293 1HG ARG 38 2HG ARG 38 3.951 -10.203 -1.726 294 2HG ARG 38 1HG ARG 38 3.295 -11.662 -0.985 295 1HD ARG 38 2HD ARG 38 2.013 -11.313 -2.972 296 2HD ARG 38 1HD ARG 38 0.984 -10.793 -1.636 297 HE ARG 38 HE ARG 38 1.065 -8.618 -2.529 298 1HH1 ARG 38 1HH2 ARG 38 1.724 -9.650 -5.226 299 2HH1 ARG 38 2HH2 ARG 38 3.199 -8.822 -5.601 300 1HH2 ARG 38 1HH1 ARG 38 3.839 -7.915 -2.317 301 2HH2 ARG 38 2HH1 ARG 38 4.396 -7.843 -3.956 302 H LYS 39 H LYS 39 6.245 -10.802 0.191 303 HA LYS 39 HA LYS 39 7.705 -8.430 -0.495 304 1HB LYS 39 2HB LYS 39 9.377 -9.913 -1.366 305 2HB LYS 39 1HB LYS 39 8.665 -10.741 0.018 306 1HG LYS 39 2HG LYS 39 7.046 -11.437 -2.174 307 2HG LYS 39 1HG LYS 39 8.704 -11.548 -2.765 308 1HD LYS 39 2HD LYS 39 7.899 -12.748 -0.116 309 2HD LYS 39 1HD LYS 39 7.712 -13.644 -1.625 310 1HE LYS 39 2HE LYS 39 10.337 -12.343 -0.906 311 2HE LYS 39 1HE LYS 39 9.925 -13.951 -0.312 312 1HZ LYS 39 1HZ LYS 39 10.319 -14.834 -2.296 313 2HZ LYS 39 2HZ LYS 39 11.012 -13.351 -2.748 314 3HZ LYS 39 3HZ LYS 39 9.381 -13.671 -3.097 315 H THR 40 H THR 40 8.618 -8.269 -2.891 316 HA THR 40 HA THR 40 6.227 -8.084 -4.634 317 HB THR 40 HB THR 40 7.855 -6.145 -4.279 318 HG1 THR 40 HG1 THR 40 7.393 -5.478 -6.260 319 1HG2 THR 40 1HG2 THR 40 9.928 -6.198 -5.560 320 2HG2 THR 40 2HG2 THR 40 9.561 -7.823 -6.139 321 3HG2 THR 40 3HG2 THR 40 9.909 -7.551 -4.431 322 H GLY 41 H GLY 41 7.148 -8.339 -7.135 323 1HA GLY 41 2HA GLY 41 7.526 -10.016 -8.738 324 2HA GLY 41 1HA GLY 41 9.012 -10.285 -7.830 325 H GLN 42 H GLN 42 5.719 -11.395 -8.329 326 HA GLN 42 HA GLN 42 6.455 -14.025 -7.291 327 1HB GLN 42 2HB GLN 42 4.630 -14.126 -5.613 328 2HB GLN 42 1HB GLN 42 5.842 -12.917 -5.191 329 1HG GLN 42 2HG GLN 42 3.379 -12.168 -6.765 330 2HG GLN 42 1HG GLN 42 3.350 -12.240 -5.005 331 1HE2 GLN 42 1HE2 GLN 42 4.181 -10.251 -7.672 332 2HE2 GLN 42 2HE2 GLN 42 5.022 -9.058 -6.810 333 H ALA 43 H ALA 43 3.934 -11.873 -8.550 334 HA ALA 43 HA ALA 43 2.151 -13.993 -9.346 335 1HB ALA 43 1HB ALA 43 0.876 -12.138 -9.532 336 2HB ALA 43 2HB ALA 43 1.683 -11.850 -11.074 337 3HB ALA 43 3HB ALA 43 2.294 -11.092 -9.603 338 HA PRO 44 HA PRO 44 4.406 -15.277 -12.936 339 1HB PRO 44 2HB PRO 44 2.460 -16.937 -13.942 340 2HB PRO 44 1HB PRO 44 3.503 -17.368 -12.575 341 1HG PRO 44 2HG PRO 44 0.630 -16.582 -12.564 342 2HG PRO 44 1HG PRO 44 1.527 -17.570 -11.399 343 1HD PRO 44 2HD PRO 44 0.806 -14.844 -11.074 344 2HD PRO 44 1HD PRO 44 1.942 -15.758 -10.059 345 H GLY 45 H GLY 45 3.890 -15.443 -15.407 346 1HA GLY 45 2HA GLY 45 3.350 -14.208 -17.336 347 2HA GLY 45 1HA GLY 45 1.714 -14.236 -16.676 348 H TYR 46 H TYR 46 4.307 -12.725 -14.897 349 HA TYR 46 HA TYR 46 3.507 -10.023 -15.836 350 1HB TYR 46 2HB TYR 46 2.126 -10.843 -13.771 351 2HB TYR 46 1HB TYR 46 3.624 -10.598 -12.880 352 HD1 TYR 46 HD1 TYR 46 0.721 -9.104 -13.036 353 HD2 TYR 46 HD2 TYR 46 4.724 -8.162 -14.249 354 HE1 TYR 46 HE1 TYR 46 0.199 -6.692 -12.890 355 HE2 TYR 46 HE2 TYR 46 4.205 -5.753 -14.104 356 HH TYR 46 HH TYR 46 1.007 -4.631 -13.007 357 H SER 47 H SER 47 5.398 -8.963 -16.204 358 HA SER 47 HA SER 47 7.876 -9.909 -14.919 359 1HB SER 47 2HB SER 47 7.319 -8.744 -17.378 360 2HB SER 47 1HB SER 47 8.034 -7.418 -16.465 361 HG SER 47 HG SER 47 9.335 -9.271 -17.659 362 H TYR 48 H TYR 48 6.667 -9.233 -12.800 363 HA TYR 48 HA TYR 48 6.073 -6.671 -11.980 364 1HB TYR 48 2HB TYR 48 7.312 -9.010 -10.591 365 2HB TYR 48 1HB TYR 48 7.307 -7.462 -9.750 366 HD1 TYR 48 HD1 TYR 48 4.801 -9.042 -12.065 367 HD2 TYR 48 HD2 TYR 48 5.613 -7.515 -8.145 368 HE1 TYR 48 HE1 TYR 48 2.428 -9.403 -11.419 369 HE2 TYR 48 HE2 TYR 48 3.252 -7.870 -7.503 370 HH TYR 48 HH TYR 48 1.317 -8.861 -8.110 371 H THR 49 H THR 49 7.495 -5.236 -10.518 372 HA THR 49 HA THR 49 9.702 -4.261 -12.072 373 HB THR 49 HB THR 49 9.477 -3.554 -9.181 374 HG1 THR 49 HG1 THR 49 7.699 -2.173 -10.650 375 1HG2 THR 49 1HG2 THR 49 9.924 -2.118 -11.801 376 2HG2 THR 49 2HG2 THR 49 11.044 -2.292 -10.449 377 3HG2 THR 49 3HG2 THR 49 9.630 -1.249 -10.294 378 H ALA 50 H ALA 50 11.126 -6.104 -12.256 379 HA ALA 50 HA ALA 50 12.196 -7.707 -10.265 380 1HB ALA 50 1HB ALA 50 12.792 -7.498 -12.819 381 2HB ALA 50 2HB ALA 50 14.007 -8.105 -11.695 382 3HB ALA 50 3HB ALA 50 14.069 -6.429 -12.240 383 H ALA 51 H ALA 51 12.919 -4.331 -10.950 384 HA ALA 51 HA ALA 51 15.195 -3.915 -9.370 385 1HB ALA 51 1HB ALA 51 14.723 -1.878 -10.227 386 2HB ALA 51 2HB ALA 51 13.620 -1.674 -8.866 387 3HB ALA 51 3HB ALA 51 13.015 -2.273 -10.410 388 H ASN 52 H ASN 52 11.815 -3.432 -8.247 389 HA ASN 52 HA ASN 52 12.382 -3.081 -5.521 390 1HB ASN 52 2HB ASN 52 10.123 -2.854 -6.646 391 2HB ASN 52 1HB ASN 52 9.998 -4.611 -6.596 392 1HD2 ASN 52 1HD2 ASN 52 9.463 -1.747 -4.778 393 2HD2 ASN 52 2HD2 ASN 52 9.181 -2.482 -3.275 394 H LYS 53 H LYS 53 11.557 -6.143 -7.176 395 HA LYS 53 HA LYS 53 11.807 -7.908 -5.033 396 1HB LYS 53 2HB LYS 53 11.184 -8.571 -7.354 397 2HB LYS 53 1HB LYS 53 12.870 -8.379 -7.835 398 1HG LYS 53 2HG LYS 53 13.191 -10.521 -7.214 399 2HG LYS 53 1HG LYS 53 12.971 -9.987 -5.546 400 1HD LYS 53 2HD LYS 53 10.376 -10.155 -6.398 401 2HD LYS 53 1HD LYS 53 11.121 -11.474 -7.302 402 1HE LYS 53 2HE LYS 53 11.367 -11.065 -4.307 403 2HE LYS 53 1HE LYS 53 10.290 -12.224 -5.084 404 1HZ LYS 53 1HZ LYS 53 12.414 -13.202 -4.356 405 2HZ LYS 53 2HZ LYS 53 13.238 -12.176 -5.432 406 3HZ LYS 53 3HZ LYS 53 12.163 -13.351 -6.026 407 H ASN 54 H ASN 54 14.363 -6.296 -6.843 408 HA ASN 54 HA ASN 54 16.493 -7.810 -5.592 409 1HB ASN 54 2HB ASN 54 16.826 -6.814 -7.809 410 2HB ASN 54 1HB ASN 54 16.560 -5.205 -7.137 411 1HD2 ASN 54 1HD2 ASN 54 18.908 -5.020 -8.134 412 2HD2 ASN 54 2HD2 ASN 54 20.187 -5.390 -7.083 413 H LYS 55 H LYS 55 14.905 -4.690 -5.016 414 HA LYS 55 HA LYS 55 16.760 -3.695 -3.104 415 1HB LYS 55 2HB LYS 55 14.684 -2.559 -4.210 416 2HB LYS 55 1HB LYS 55 13.800 -3.242 -2.847 417 1HG LYS 55 2HG LYS 55 14.463 -1.078 -2.119 418 2HG LYS 55 1HG LYS 55 15.609 -2.183 -1.357 419 1HD LYS 55 2HD LYS 55 16.979 -1.765 -3.594 420 2HD LYS 55 1HD LYS 55 16.039 -0.272 -3.621 421 1HE LYS 55 2HE LYS 55 16.825 0.306 -1.381 422 2HE LYS 55 1HE LYS 55 17.690 -1.226 -1.264 423 1HZ LYS 55 1HZ LYS 55 18.464 1.198 -2.562 424 2HZ LYS 55 2HZ LYS 55 18.561 -0.138 -3.607 425 3HZ LYS 55 3HZ LYS 55 19.407 -0.145 -2.134 426 H GLY 56 H GLY 56 14.710 -6.414 -2.948 427 1HA GLY 56 1HA GLY 56 14.156 -7.856 -1.179 428 2HA GLY 56 2HA GLY 56 15.557 -7.178 -0.344 429 H ILE 57 H ILE 57 12.772 -5.354 -1.486 430 HA ILE 57 HA ILE 57 12.379 -4.281 1.228 431 HB ILE 57 HB ILE 57 12.329 -2.877 -0.889 432 1HG1 ILE 57 2HG1 ILE 57 11.347 -2.158 1.315 433 2HG1 ILE 57 1HG1 ILE 57 10.548 -1.440 -0.082 434 1HG2 ILE 57 1HG2 ILE 57 10.662 -4.815 -1.828 435 2HG2 ILE 57 2HG2 ILE 57 10.737 -3.181 -2.487 436 3HG2 ILE 57 3HG2 ILE 57 9.492 -3.601 -1.313 437 1HD1 ILE 57 1HD1 ILE 57 8.656 -2.155 0.986 438 2HD1 ILE 57 2HD1 ILE 57 9.513 -3.409 1.882 439 3HD1 ILE 57 3HD1 ILE 57 9.052 -3.684 0.202 440 H ILE 58 H ILE 58 10.893 -5.075 2.619 441 HA ILE 58 HA ILE 58 8.936 -7.076 1.667 442 HB ILE 58 HB ILE 58 9.965 -7.671 3.742 443 1HG1 ILE 58 2HG1 ILE 58 8.099 -7.766 5.275 444 2HG1 ILE 58 1HG1 ILE 58 7.349 -6.355 4.528 445 1HG2 ILE 58 1HG2 ILE 58 9.534 -5.834 5.670 446 2HG2 ILE 58 2HG2 ILE 58 9.670 -4.761 4.277 447 3HG2 ILE 58 3HG2 ILE 58 10.995 -5.851 4.683 448 1HD1 ILE 58 1HD1 ILE 58 6.786 -7.538 2.569 449 2HD1 ILE 58 2HD1 ILE 58 6.460 -8.699 3.857 450 3HD1 ILE 58 3HD1 ILE 58 7.942 -8.826 2.909 451 H TRP 59 H TRP 59 7.434 -5.868 0.504 452 HA TRP 59 HA TRP 59 6.419 -3.383 0.759 453 1HB TRP 59 2HB TRP 59 5.014 -5.972 0.194 454 2HB TRP 59 1HB TRP 59 4.092 -4.471 0.260 455 HD1 TRP 59 HD1 TRP 59 5.348 -6.450 -2.296 456 HE1 TRP 59 HE1 TRP 59 6.258 -5.116 -4.307 457 HE3 TRP 59 HE3 TRP 59 5.889 -1.853 -0.136 458 HZ2 TRP 59 HZ2 TRP 59 7.108 -2.452 -4.916 459 HZ3 TRP 59 HZ3 TRP 59 6.750 0.060 -1.451 460 HH2 TRP 59 HH2 TRP 59 7.358 -0.231 -3.836 461 H GLY 60 H GLY 60 5.669 -2.173 2.373 462 1HA GLY 60 1HA GLY 60 3.910 -3.391 4.431 463 2HA GLY 60 2HA GLY 60 5.350 -2.530 4.978 464 H GLU 61 H GLU 61 3.601 -1.143 6.034 465 HA GLU 61 HA GLU 61 1.950 0.532 4.334 466 1HB GLU 61 2HB GLU 61 2.414 0.166 7.198 467 2HB GLU 61 1HB GLU 61 2.213 1.864 6.762 468 1HG GLU 61 2HG GLU 61 -0.003 1.557 6.556 469 2HG GLU 61 1HG GLU 61 0.280 0.347 5.304 470 H ASP 62 H ASP 62 4.629 1.476 6.525 471 HA ASP 62 HA ASP 62 5.024 4.023 5.334 472 1HB ASP 62 2HB ASP 62 7.143 4.077 6.530 473 2HB ASP 62 1HB ASP 62 5.925 3.327 7.562 474 H THR 63 H THR 63 6.496 0.870 4.615 475 HA THR 63 HA THR 63 8.477 1.781 2.799 476 HB THR 63 HB THR 63 7.624 -0.648 1.750 477 HG1 THR 63 HG1 THR 63 6.098 -0.652 3.531 478 1HG2 THR 63 1HG2 THR 63 9.852 -0.711 2.165 479 2HG2 THR 63 2HG2 THR 63 9.380 -1.369 3.732 480 3HG2 THR 63 3HG2 THR 63 9.713 0.355 3.564 481 H LEU 64 H LEU 64 5.034 1.108 2.345 482 HA LEU 64 HA LEU 64 5.135 1.494 -0.540 483 1HB LEU 64 2HB LEU 64 3.210 0.626 1.388 484 2HB LEU 64 1HB LEU 64 2.508 1.966 0.481 485 HG LEU 64 HG LEU 64 3.679 -0.591 -0.637 486 1HD1 LEU 64 1HD1 LEU 64 1.391 -0.829 0.102 487 2HD1 LEU 64 2HD1 LEU 64 1.375 -0.708 -1.657 488 3HD1 LEU 64 3HD1 LEU 64 0.932 0.686 -0.673 489 1HD2 LEU 64 1HD2 LEU 64 4.284 0.664 -2.425 490 2HD2 LEU 64 2HD2 LEU 64 3.436 2.081 -1.809 491 3HD2 LEU 64 3HD2 LEU 64 2.558 0.861 -2.730 492 H MET 65 H MET 65 4.814 3.542 2.250 493 HA MET 65 HA MET 65 3.580 5.782 0.945 494 1HB MET 65 2HB MET 65 3.653 5.528 3.409 495 2HB MET 65 1HB MET 65 5.404 5.736 3.366 496 1HG MET 65 2HG MET 65 5.153 7.970 3.379 497 2HG MET 65 1HG MET 65 4.204 7.881 1.894 498 1HE MET 65 1HE MET 65 3.389 9.749 5.290 499 2HE MET 65 2HE MET 65 4.688 8.564 5.173 500 3HE MET 65 3HE MET 65 3.277 8.217 6.168 501 H GLU 66 H GLU 66 6.971 4.871 1.530 502 HA GLU 66 HA GLU 66 8.008 7.261 0.270 503 1HB GLU 66 2HB GLU 66 9.139 5.640 2.006 504 2HB GLU 66 1HB GLU 66 9.612 4.745 0.562 505 1HG GLU 66 2HG GLU 66 10.637 6.792 -0.372 506 2HG GLU 66 1HG GLU 66 10.173 7.681 1.079 507 H TYR 67 H TYR 67 7.856 3.820 -0.720 508 HA TYR 67 HA TYR 67 8.987 4.046 -3.267 509 1HB TYR 67 2HB TYR 67 8.357 1.866 -2.479 510 2HB TYR 67 1HB TYR 67 6.665 2.342 -2.329 511 HD1 TYR 67 HD1 TYR 67 5.290 1.442 -3.978 512 HD2 TYR 67 HD2 TYR 67 9.304 2.574 -5.000 513 HE1 TYR 67 HE1 TYR 67 4.882 0.769 -6.329 514 HE2 TYR 67 HE2 TYR 67 8.897 1.900 -7.348 515 HH TYR 67 HH TYR 67 5.687 0.878 -8.435 516 H LEU 68 H LEU 68 5.597 4.674 -2.331 517 HA LEU 68 HA LEU 68 4.837 5.441 -5.023 518 1HB LEU 68 2HB LEU 68 3.506 4.980 -2.553 519 2HB LEU 68 1HB LEU 68 3.107 6.623 -3.065 520 HG LEU 68 HG LEU 68 2.815 5.443 -5.428 521 1HD1 LEU 68 1HD1 LEU 68 1.658 3.179 -4.898 522 2HD1 LEU 68 2HD1 LEU 68 2.565 3.235 -3.387 523 3HD1 LEU 68 3HD1 LEU 68 3.421 3.217 -4.929 524 1HD2 LEU 68 1HD2 LEU 68 0.457 5.382 -5.012 525 2HD2 LEU 68 2HD2 LEU 68 1.102 6.651 -3.972 526 3HD2 LEU 68 3HD2 LEU 68 0.699 5.074 -3.294 527 H GLU 69 H GLU 69 6.058 7.144 -2.192 528 HA GLU 69 HA GLU 69 5.475 9.805 -3.006 529 1HB GLU 69 2HB GLU 69 6.592 8.843 -0.822 530 2HB GLU 69 1HB GLU 69 8.089 9.082 -1.713 531 1HG GLU 69 2HG GLU 69 7.215 11.467 -2.182 532 2HG GLU 69 1HG GLU 69 6.058 11.156 -0.886 533 H ASN 70 H ASN 70 7.731 7.427 -4.060 534 HA ASN 70 HA ASN 70 8.353 8.791 -6.499 535 1HB ASN 70 2HB ASN 70 9.843 9.737 -4.332 536 2HB ASN 70 1HB ASN 70 10.919 8.584 -5.124 537 1HD2 ASN 70 1HD2 ASN 70 9.715 9.028 -7.817 538 2HD2 ASN 70 2HD2 ASN 70 10.251 10.557 -8.323 539 HA PRO 71 HA PRO 71 9.122 4.283 -6.350 540 1HB PRO 71 2HB PRO 71 7.637 3.757 -8.611 541 2HB PRO 71 1HB PRO 71 6.951 3.811 -6.978 542 1HG PRO 71 2HG PRO 71 6.715 5.810 -9.174 543 2HG PRO 71 1HG PRO 71 5.619 5.499 -7.819 544 1HD PRO 71 2HD PRO 71 7.473 7.633 -7.991 545 2HD PRO 71 1HD PRO 71 6.613 7.115 -6.529 546 H LYS 72 H LYS 72 9.473 6.776 -8.738 547 HA LYS 72 HA LYS 72 11.078 5.228 -10.589 548 1HB LYS 72 2HB LYS 72 9.941 7.154 -11.475 549 2HB LYS 72 1HB LYS 72 10.617 8.198 -10.224 550 1HG LYS 72 2HG LYS 72 12.553 8.484 -11.360 551 2HG LYS 72 1HG LYS 72 12.673 6.767 -11.746 552 1HD LYS 72 2HD LYS 72 10.478 8.031 -13.182 553 2HD LYS 72 1HD LYS 72 12.018 8.817 -13.530 554 1HE LYS 72 2HE LYS 72 12.420 5.975 -13.493 555 2HE LYS 72 1HE LYS 72 11.059 6.343 -14.553 556 1HZ LYS 72 1HZ LYS 72 12.622 6.823 -16.049 557 2HZ LYS 72 2HZ LYS 72 13.855 6.930 -14.886 558 3HZ LYS 72 3HZ LYS 72 12.846 8.265 -15.183 559 H LYS 73 H LYS 73 11.577 6.752 -7.567 560 HA LYS 73 HA LYS 73 14.527 6.891 -7.991 561 1HB LYS 73 2HB LYS 73 12.798 7.889 -5.706 562 2HB LYS 73 1HB LYS 73 14.547 8.083 -5.810 563 1HG LYS 73 2HG LYS 73 12.541 9.163 -7.811 564 2HG LYS 73 1HG LYS 73 13.377 10.117 -6.586 565 1HD LYS 73 2HD LYS 73 14.613 8.651 -8.929 566 2HD LYS 73 1HD LYS 73 14.601 10.391 -8.639 567 1HE LYS 73 2HE LYS 73 15.734 9.435 -6.320 568 2HE LYS 73 1HE LYS 73 16.372 8.319 -7.529 569 1HZ LYS 73 1HZ LYS 73 16.479 10.893 -8.599 570 2HZ LYS 73 2HZ LYS 73 17.777 9.885 -8.165 571 3HZ LYS 73 3HZ LYS 73 17.130 10.976 -7.034 572 H TYR 74 H TYR 74 12.044 5.374 -5.968 573 HA TYR 74 HA TYR 74 13.940 3.899 -4.339 574 1HB TYR 74 2HB TYR 74 11.562 4.450 -3.672 575 2HB TYR 74 1HB TYR 74 11.022 3.259 -4.854 576 HD1 TYR 74 HD1 TYR 74 14.017 3.126 -2.631 577 HD2 TYR 74 HD2 TYR 74 10.138 1.512 -3.523 578 HE1 TYR 74 HE1 TYR 74 14.390 1.316 -0.978 579 HE2 TYR 74 HE2 TYR 74 10.511 -0.299 -1.872 580 HH TYR 74 HH TYR 74 13.101 -0.230 0.376 581 H ILE 75 H ILE 75 11.527 2.689 -6.683 582 HA ILE 75 HA ILE 75 13.289 0.395 -7.268 583 HB ILE 75 HB ILE 75 10.555 0.786 -8.441 584 1HG1 ILE 75 2HG1 ILE 75 10.415 1.387 -6.000 585 2HG1 ILE 75 1HG1 ILE 75 9.514 -0.072 -6.414 586 1HG2 ILE 75 1HG2 ILE 75 10.524 -1.673 -8.020 587 2HG2 ILE 75 2HG2 ILE 75 12.166 -1.539 -7.392 588 3HG2 ILE 75 3HG2 ILE 75 11.834 -1.161 -9.082 589 1HD1 ILE 75 1HD1 ILE 75 12.280 0.048 -5.183 590 2HD1 ILE 75 2HD1 ILE 75 11.479 -1.436 -5.703 591 3HD1 ILE 75 3HD1 ILE 75 10.799 -0.481 -4.385 592 HA PRO 76 HA PRO 76 14.272 2.886 -10.915 593 1HB PRO 76 2HB PRO 76 16.586 1.514 -11.484 594 2HB PRO 76 1HB PRO 76 16.493 2.830 -10.301 595 1HG PRO 76 2HG PRO 76 16.706 -0.106 -9.829 596 2HG PRO 76 1HG PRO 76 17.227 1.237 -8.798 597 1HD PRO 76 2HD PRO 76 14.880 -0.308 -8.445 598 2HD PRO 76 1HD PRO 76 15.251 1.233 -7.642 599 H GLY 77 H GLY 77 12.374 1.810 -11.975 600 1HA GLY 77 2HA GLY 77 12.720 0.628 -14.362 601 2HA GLY 77 1HA GLY 77 12.931 -0.768 -13.306 602 H THR 78 H THR 78 10.880 0.800 -11.469 603 HA THR 78 HA THR 78 8.633 -0.753 -11.899 604 HB THR 78 HB THR 78 8.825 0.788 -9.991 605 HG1 THR 78 HG1 THR 78 6.735 0.065 -10.990 606 1HG2 THR 78 1HG2 THR 78 9.475 2.898 -10.432 607 2HG2 THR 78 2HG2 THR 78 7.826 3.201 -10.978 608 3HG2 THR 78 3HG2 THR 78 9.068 2.733 -12.139 609 H LYS 79 H LYS 79 7.065 -0.897 -13.395 610 HA LYS 79 HA LYS 79 7.175 0.962 -15.703 611 1HB LYS 79 2HB LYS 79 6.779 -1.791 -15.498 612 2HB LYS 79 1HB LYS 79 5.164 -1.158 -15.824 613 1HG LYS 79 2HG LYS 79 7.290 0.074 -17.450 614 2HG LYS 79 1HG LYS 79 7.060 -1.649 -17.751 615 1HD LYS 79 2HD LYS 79 4.779 -1.356 -18.334 616 2HD LYS 79 1HD LYS 79 4.726 0.264 -17.639 617 1HE LYS 79 2HE LYS 79 5.597 1.223 -19.505 618 2HE LYS 79 1HE LYS 79 6.767 -0.076 -19.736 619 1HZ LYS 79 1HZ LYS 79 5.359 -0.352 -21.517 620 2HZ LYS 79 2HZ LYS 79 3.970 0.086 -20.640 621 3HZ LYS 79 3HZ LYS 79 4.691 -1.433 -20.393 622 H MET 80 H MET 80 6.043 1.556 -12.973 623 HA MET 80 HA MET 80 3.210 1.633 -13.014 624 1HB MET 80 2HB MET 80 5.329 3.302 -11.693 625 2HB MET 80 1HB MET 80 3.636 3.751 -11.543 626 1HG MET 80 2HG MET 80 4.069 0.905 -11.066 627 2HG MET 80 1HG MET 80 4.974 1.915 -9.942 628 1HE MET 80 1HE MET 80 4.369 3.345 -8.522 629 2HE MET 80 2HE MET 80 3.042 2.909 -7.447 630 3HE MET 80 3HE MET 80 2.876 4.294 -8.523 631 H ILE 81 H ILE 81 1.844 2.776 -14.312 632 HA ILE 81 HA ILE 81 2.965 4.898 -16.043 633 HB ILE 81 HB ILE 81 0.113 3.871 -15.934 634 1HG1 ILE 81 2HG1 ILE 81 1.661 2.002 -16.359 635 2HG1 ILE 81 1HG1 ILE 81 0.775 2.412 -17.828 636 1HG2 ILE 81 1HG2 ILE 81 -0.005 5.763 -17.248 637 2HG2 ILE 81 2HG2 ILE 81 0.529 4.617 -18.478 638 3HG2 ILE 81 3HG2 ILE 81 1.698 5.682 -17.699 639 1HD1 ILE 81 1HD1 ILE 81 3.656 2.665 -17.238 640 2HD1 ILE 81 2HD1 ILE 81 2.945 4.064 -18.040 641 3HD1 ILE 81 3HD1 ILE 81 2.837 2.472 -18.788 642 H PHE 82 H PHE 82 2.364 5.003 -13.012 643 HA PHE 82 HA PHE 82 0.230 6.786 -12.483 644 1HB PHE 82 2HB PHE 82 2.261 5.544 -11.036 645 2HB PHE 82 1HB PHE 82 2.592 7.259 -10.837 646 HD1 PHE 82 HD1 PHE 82 1.880 7.735 -8.648 647 HD2 PHE 82 HD2 PHE 82 -0.694 5.554 -11.306 648 HE1 PHE 82 HE1 PHE 82 0.042 7.896 -6.995 649 HE2 PHE 82 HE2 PHE 82 -2.535 5.717 -9.652 650 HZ PHE 82 HZ PHE 82 -2.164 6.886 -7.499 651 H VAL 83 H VAL 83 0.403 9.113 -11.957 652 HA VAL 83 HA VAL 83 2.207 10.496 -13.870 653 HB VAL 83 HB VAL 83 0.688 12.395 -13.612 654 1HG1 VAL 83 1HG1 VAL 83 0.139 10.200 -15.000 655 2HG1 VAL 83 2HG1 VAL 83 -1.043 11.502 -14.866 656 3HG1 VAL 83 3HG1 VAL 83 -1.184 10.074 -13.841 657 1HG2 VAL 83 1HG2 VAL 83 -1.410 12.000 -12.207 658 2HG2 VAL 83 2HG2 VAL 83 0.079 12.271 -11.303 659 3HG2 VAL 83 3HG2 VAL 83 -0.554 10.636 -11.488 660 H GLY 84 H GLY 84 1.171 10.567 -10.460 661 1HA GLY 84 2HA GLY 84 3.212 10.872 -8.918 662 2HA GLY 84 1HA GLY 84 3.529 12.313 -9.885 663 H ILE 85 H ILE 85 1.356 10.873 -7.514 664 HA ILE 85 HA ILE 85 -0.268 13.311 -7.305 665 HB ILE 85 HB ILE 85 -0.219 10.996 -5.360 666 1HG1 ILE 85 2HG1 ILE 85 -0.488 9.957 -7.507 667 2HG1 ILE 85 1HG1 ILE 85 -2.108 10.099 -6.821 668 1HG2 ILE 85 1HG2 ILE 85 -1.581 12.711 -4.510 669 2HG2 ILE 85 2HG2 ILE 85 -2.732 11.695 -5.377 670 3HG2 ILE 85 3HG2 ILE 85 -2.144 13.187 -6.113 671 1HD1 ILE 85 1HD1 ILE 85 -2.472 12.174 -8.113 672 2HD1 ILE 85 2HD1 ILE 85 -2.094 10.821 -9.179 673 3HD1 ILE 85 3HD1 ILE 85 -0.857 12.022 -8.807 674 H LYS 86 H LYS 86 -0.403 14.494 -5.196 675 HA LYS 86 HA LYS 86 1.990 14.235 -3.475 676 1HB LYS 86 2HB LYS 86 2.713 15.802 -5.208 677 2HB LYS 86 1HB LYS 86 1.271 16.785 -4.949 678 1HG LYS 86 2HG LYS 86 2.397 17.919 -3.366 679 2HG LYS 86 1HG LYS 86 2.439 16.442 -2.403 680 1HD LYS 86 2HD LYS 86 4.424 16.420 -4.548 681 2HD LYS 86 1HD LYS 86 4.655 17.770 -3.436 682 1HE LYS 86 2HE LYS 86 5.552 16.362 -1.931 683 2HE LYS 86 1HE LYS 86 4.027 15.479 -1.866 684 1HZ LYS 86 1HZ LYS 86 6.459 14.645 -2.960 685 2HZ LYS 86 2HZ LYS 86 5.348 14.798 -4.238 686 3HZ LYS 86 3HZ LYS 86 4.988 13.801 -2.910 687 H LYS 87 H LYS 87 -0.513 13.563 -2.659 688 HA LYS 87 HA LYS 87 -1.192 15.812 -0.818 689 1HB LYS 87 2HB LYS 87 -2.834 15.251 -2.867 690 2HB LYS 87 1HB LYS 87 -3.403 14.028 -1.730 691 1HG LYS 87 2HG LYS 87 -4.315 15.573 -0.328 692 2HG LYS 87 1HG LYS 87 -2.983 16.707 -0.556 693 1HD LYS 87 2HD LYS 87 -4.356 16.503 -3.042 694 2HD LYS 87 1HD LYS 87 -5.571 16.740 -1.786 695 1HE LYS 87 2HE LYS 87 -3.263 18.444 -1.332 696 2HE LYS 87 1HE LYS 87 -3.949 18.720 -2.934 697 1HZ LYS 87 1HZ LYS 87 -6.165 18.597 -1.499 698 2HZ LYS 87 2HZ LYS 87 -5.319 20.048 -1.759 699 3HZ LYS 87 3HZ LYS 87 -5.113 19.189 -0.308 700 H LYS 88 H LYS 88 -0.776 15.070 1.203 701 HA LYS 88 HA LYS 88 -0.433 12.287 1.822 702 1HB LYS 88 2HB LYS 88 -0.038 14.780 3.136 703 2HB LYS 88 1HB LYS 88 -1.046 13.785 4.189 704 1HG LYS 88 2HG LYS 88 1.041 13.020 4.829 705 2HG LYS 88 1HG LYS 88 0.716 11.908 3.499 706 1HD LYS 88 2HD LYS 88 2.939 12.789 3.178 707 2HD LYS 88 1HD LYS 88 1.894 13.528 1.965 708 1HE LYS 88 2HE LYS 88 2.908 15.440 2.751 709 2HE LYS 88 1HE LYS 88 1.585 15.343 3.914 710 1HZ LYS 88 1HZ LYS 88 4.425 14.809 4.278 711 2HZ LYS 88 2HZ LYS 88 3.351 13.790 5.110 712 3HZ LYS 88 3HZ LYS 88 3.297 15.469 5.360 713 H GLU 89 H GLU 89 -3.237 14.291 1.636 714 HA GLU 89 HA GLU 89 -4.859 12.746 3.473 715 1HB GLU 89 2HB GLU 89 -5.148 15.142 1.955 716 2HB GLU 89 1HB GLU 89 -6.476 14.066 1.518 717 1HG GLU 89 2HG GLU 89 -7.309 15.199 3.407 718 2HG GLU 89 1HG GLU 89 -6.711 13.682 4.079 719 H GLU 90 H GLU 90 -4.224 12.693 -0.001 720 HA GLU 90 HA GLU 90 -6.258 10.644 -0.497 721 1HB GLU 90 2HB GLU 90 -4.535 12.359 -2.080 722 2HB GLU 90 1HB GLU 90 -4.465 10.695 -2.660 723 1HG GLU 90 2HG GLU 90 -6.292 11.897 -3.773 724 2HG GLU 90 1HG GLU 90 -6.943 10.633 -2.729 725 H ARG 91 H ARG 91 -2.717 10.773 -0.204 726 HA ARG 91 HA ARG 91 -2.294 7.993 -0.813 727 1HB ARG 91 2HB ARG 91 -0.641 10.125 -0.495 728 2HB ARG 91 1HB ARG 91 -0.412 9.317 1.056 729 1HG ARG 91 2HG ARG 91 -0.308 7.764 -1.524 730 2HG ARG 91 1HG ARG 91 1.117 8.608 -0.917 731 1HD ARG 91 2HD ARG 91 1.044 7.361 1.161 732 2HD ARG 91 1HD ARG 91 -0.488 6.615 0.706 733 HE ARG 91 HE ARG 91 2.164 5.954 -0.446 734 1HH1 ARG 91 1HH1 ARG 91 -1.011 6.027 -1.498 735 2HH1 ARG 91 2HH1 ARG 91 -1.123 4.335 -1.854 736 1HH2 ARG 91 1HH2 ARG 91 1.926 3.556 -0.396 737 2HH2 ARG 91 2HH2 ARG 91 0.539 2.936 -1.227 738 H ALA 92 H ALA 92 -2.413 9.742 2.312 739 HA ALA 92 HA ALA 92 -2.150 7.479 3.986 740 1HB ALA 92 1HB ALA 92 -2.341 10.092 4.495 741 2HB ALA 92 2HB ALA 92 -2.741 8.890 5.723 742 3HB ALA 92 3HB ALA 92 -4.026 9.663 4.794 743 H ASP 93 H ASP 93 -5.095 8.980 2.641 744 HA ASP 93 HA ASP 93 -6.958 7.208 3.848 745 1HB ASP 93 2HB ASP 93 -7.066 8.729 1.231 746 2HB ASP 93 1HB ASP 93 -8.442 7.858 1.908 747 H LEU 94 H LEU 94 -4.871 6.835 1.053 748 HA LEU 94 HA LEU 94 -6.211 4.591 -0.126 749 1HB LEU 94 2HB LEU 94 -3.399 5.659 -0.235 750 2HB LEU 94 1HB LEU 94 -3.785 4.107 -0.979 751 HG LEU 94 HG LEU 94 -5.177 6.737 -1.569 752 1HD1 LEU 94 1HD1 LEU 94 -3.975 6.803 -3.591 753 2HD1 LEU 94 2HD1 LEU 94 -3.526 5.101 -3.486 754 3HD1 LEU 94 3HD1 LEU 94 -2.759 6.282 -2.426 755 1HD2 LEU 94 1HD2 LEU 94 -6.849 5.329 -2.197 756 2HD2 LEU 94 2HD2 LEU 94 -5.798 3.914 -2.134 757 3HD2 LEU 94 3HD2 LEU 94 -5.805 4.943 -3.566 758 H ILE 95 H ILE 95 -3.409 4.726 2.103 759 HA ILE 95 HA ILE 95 -3.150 1.916 2.452 760 HB ILE 95 HB ILE 95 -2.629 3.952 4.627 761 1HG1 ILE 95 2HG1 ILE 95 -1.606 5.006 2.782 762 2HG1 ILE 95 1HG1 ILE 95 -0.300 4.040 3.468 763 1HG2 ILE 95 1HG2 ILE 95 -2.052 1.164 4.204 764 2HG2 ILE 95 2HG2 ILE 95 -1.684 2.163 5.609 765 3HG2 ILE 95 3HG2 ILE 95 -0.538 2.067 4.272 766 1HD1 ILE 95 1HD1 ILE 95 -0.274 3.664 1.094 767 2HD1 ILE 95 2HD1 ILE 95 -2.013 3.373 1.063 768 3HD1 ILE 95 3HD1 ILE 95 -0.938 2.209 1.837 769 H ALA 96 H ALA 96 -5.177 4.294 4.090 770 HA ALA 96 HA ALA 96 -6.139 2.604 6.171 771 1HB ALA 96 1HB ALA 96 -6.485 5.223 5.551 772 2HB ALA 96 2HB ALA 96 -7.500 4.358 6.705 773 3HB ALA 96 3HB ALA 96 -8.043 4.572 5.040 774 H TYR 97 H TYR 97 -7.381 3.196 2.882 775 HA TYR 97 HA TYR 97 -9.716 1.571 3.172 776 1HB TYR 97 2HB TYR 97 -9.640 3.117 1.341 777 2HB TYR 97 1HB TYR 97 -8.127 2.432 0.747 778 HD1 TYR 97 HD1 TYR 97 -8.385 1.183 -1.195 779 HD2 TYR 97 HD2 TYR 97 -11.463 1.050 1.798 780 HE1 TYR 97 HE1 TYR 97 -9.656 -0.437 -2.575 781 HE2 TYR 97 HE2 TYR 97 -12.736 -0.571 0.418 782 HH TYR 97 HH TYR 97 -11.387 -2.213 -2.198 783 H LEU 98 H LEU 98 -6.480 0.861 1.840 784 HA LEU 98 HA LEU 98 -7.129 -1.910 1.312 785 1HB LEU 98 2HB LEU 98 -4.712 -0.188 1.186 786 2HB LEU 98 1HB LEU 98 -4.415 -1.908 1.435 787 HG LEU 98 HG LEU 98 -4.439 -1.522 -0.946 788 1HD1 LEU 98 1HD1 LEU 98 -5.829 -3.463 0.148 789 2HD1 LEU 98 2HD1 LEU 98 -5.992 -3.147 -1.579 790 3HD1 LEU 98 3HD1 LEU 98 -7.216 -2.557 -0.456 791 1HD2 LEU 98 1HD2 LEU 98 -6.659 0.269 -0.214 792 2HD2 LEU 98 2HD2 LEU 98 -6.963 -0.686 -1.665 793 3HD2 LEU 98 3HD2 LEU 98 -5.546 0.360 -1.579 794 H LYS 99 H LYS 99 -6.338 -0.174 4.149 795 HA LYS 99 HA LYS 99 -5.079 -2.370 5.562 796 1HB LYS 99 2HB LYS 99 -5.561 0.395 6.041 797 2HB LYS 99 1HB LYS 99 -6.276 -0.509 7.375 798 1HG LYS 99 2HG LYS 99 -4.152 -1.721 7.701 799 2HG LYS 99 1HG LYS 99 -3.432 -0.821 6.364 800 1HD LYS 99 2HD LYS 99 -2.737 0.535 8.083 801 2HD LYS 99 1HD LYS 99 -4.327 1.253 7.823 802 1HE LYS 99 2HE LYS 99 -5.275 0.100 9.659 803 2HE LYS 99 1HE LYS 99 -3.944 -1.054 9.730 804 1HZ LYS 99 1HZ LYS 99 -4.149 1.584 10.864 805 2HZ LYS 99 2HZ LYS 99 -2.690 1.310 10.040 806 3HZ LYS 99 3HZ LYS 99 -3.155 0.285 11.313 807 H LYS 100 H LYS 100 -8.360 -1.147 5.172 808 HA LYS 100 HA LYS 100 -9.399 -3.046 7.185 809 1HB LYS 100 2HB LYS 100 -10.366 -0.764 6.994 810 2HB LYS 100 1HB LYS 100 -10.876 -1.137 5.347 811 1HG LYS 100 2HG LYS 100 -11.784 -3.271 6.977 812 2HG LYS 100 1HG LYS 100 -12.196 -1.779 7.819 813 1HD LYS 100 2HD LYS 100 -13.903 -1.455 6.395 814 2HD LYS 100 1HD LYS 100 -12.756 -1.375 5.058 815 1HE LYS 100 2HE LYS 100 -13.240 -3.480 4.364 816 2HE LYS 100 1HE LYS 100 -13.274 -4.110 6.011 817 1HZ LYS 100 1HZ LYS 100 -15.448 -2.340 5.529 818 2HZ LYS 100 2HZ LYS 100 -15.472 -3.953 6.062 819 3HZ LYS 100 3HZ LYS 100 -15.439 -3.605 4.400 820 H ALA 101 H ALA 101 -9.455 -2.567 3.671 821 HA ALA 101 HA ALA 101 -11.241 -4.745 3.123 822 1HB ALA 101 1HB ALA 101 -9.675 -4.458 0.852 823 2HB ALA 101 2HB ALA 101 -9.613 -2.859 1.592 824 3HB ALA 101 3HB ALA 101 -11.169 -3.584 1.187 825 H THR 102 H THR 102 -7.684 -4.516 2.674 826 HA THR 102 HA THR 102 -7.633 -7.501 2.878 827 HB THR 102 HB THR 102 -5.197 -6.442 1.789 828 HG1 THR 102 HG1 THR 102 -7.295 -5.832 0.080 829 1HG2 THR 102 1HG2 THR 102 -7.175 -8.482 1.296 830 2HG2 THR 102 2HG2 THR 102 -5.492 -8.425 0.774 831 3HG2 THR 102 3HG2 THR 102 -6.749 -7.684 -0.218 832 H ASN 103 H ASN 103 -7.566 -5.735 5.196 833 HA ASN 103 HA ASN 103 -5.157 -6.797 6.424 834 1HB ASN 103 2HB ASN 103 -5.048 -4.196 5.294 835 2HB ASN 103 1HB ASN 103 -5.086 -3.998 7.047 836 1HD2 ASN 103 1HD2 ASN 103 -2.780 -3.358 7.004 837 2HD2 ASN 103 2HD2 ASN 103 -1.569 -4.530 6.801 838 H GLU 104 HN GLU 104 -7.788 -7.316 7.030 839 HA GLU 104 HA GLU 104 -8.177 -5.816 9.591 840 1HB GLU 104 2HB GLU 104 -9.940 -5.607 7.662 841 2HB GLU 104 1HB GLU 104 -10.422 -7.227 8.170 842 1HG GLU 104 2HG GLU 104 -10.092 -5.622 10.516 843 2HG GLU 104 1HG GLU 104 -11.104 -4.731 9.377 844 HHA HEC 105 HHA HEC 105 4.030 -2.624 -9.229 845 HHB HEC 105 HHB HEC 105 1.265 1.014 -4.895 846 HHC HEC 105 HHC HEC 105 -2.179 3.801 -9.413 847 HHD HEC 105 HHD HEC 105 0.600 0.157 -13.762 848 1HMA HEC 105 1HMA HEC 105 2.288 -0.949 -3.886 849 2HMA HEC 105 2HMA HEC 105 3.717 0.051 -4.142 850 3HMA HEC 105 3HMA HEC 105 3.852 -1.706 -4.187 851 1HAA HEC 105 1HAA HEC 105 4.863 -2.654 -5.581 852 2HAA HEC 105 2HAA HEC 105 5.451 -2.389 -7.210 853 1HBA HEC 105 1HBA HEC 105 4.943 -4.738 -6.949 854 2HBA HEC 105 2HBA HEC 105 3.740 -4.028 -8.026 855 1HMB HEC 105 1HMB HEC 105 -0.519 3.908 -4.258 856 2HMB HEC 105 2HMB HEC 105 0.054 2.264 -3.984 857 3HMB HEC 105 3HMB HEC 105 -1.673 2.580 -4.149 858 HAB HEC 105 HAB HEC 105 -2.604 4.780 -7.652 859 1HBB HEC 105 1HBB HEC 105 -1.961 4.973 -4.743 860 2HBB HEC 105 2HBB HEC 105 -2.763 6.159 -5.771 861 3HBB HEC 105 3HBB HEC 105 -1.055 5.794 -6.014 862 1HMC HEC 105 1HMC HEC 105 -2.865 4.393 -11.182 863 2HMC HEC 105 2HMC HEC 105 -2.343 4.522 -12.862 864 3HMC HEC 105 3HMC HEC 105 -3.610 3.378 -12.416 865 HAC HEC 105 HAC HEC 105 -0.549 1.668 -14.806 866 1HBC HEC 105 1HBC HEC 105 -1.268 4.085 -14.373 867 2HBC HEC 105 2HBC HEC 105 -2.903 3.456 -14.574 868 3HBC HEC 105 3HBC HEC 105 -1.727 3.289 -15.878 869 1HMD HEC 105 1HMD HEC 105 3.176 -1.186 -14.621 870 2HMD HEC 105 2HMD HEC 105 2.719 -2.858 -14.303 871 3HMD HEC 105 3HMD HEC 105 1.473 -1.642 -14.585 872 1HAD HEC 105 1HAD HEC 105 3.643 -4.170 -11.666 873 2HAD HEC 105 2HAD HEC 105 4.407 -3.262 -12.963 874 1HBD HEC 105 1HBD HEC 105 5.294 -2.126 -10.515 875 2HBD HEC 105 2HBD HEC 105 6.235 -3.035 -11.694 Start of MODEL 16 1 1H GLY 1 1HT GLY 1 -8.662 10.855 9.234 2 2H GLY 1 2HT GLY 1 -10.349 10.925 9.046 3 3H GLY 1 3HT GLY 1 -9.354 12.032 8.227 4 1HA GLY 1 1HA GLY 1 -9.216 10.682 6.500 5 2HA GLY 1 2HA GLY 1 -8.502 9.454 7.548 6 H ASP 2 H ASP 2 -10.684 9.444 5.347 7 HA ASP 2 HA ASP 2 -12.703 7.936 6.960 8 1HB ASP 2 2HB ASP 2 -13.403 9.147 4.307 9 2HB ASP 2 1HB ASP 2 -14.446 8.802 5.688 10 H VAL 3 H VAL 3 -13.493 5.990 6.006 11 HA VAL 3 HA VAL 3 -11.585 4.720 4.165 12 HB VAL 3 HB VAL 3 -12.637 3.571 6.182 13 1HG1 VAL 3 1HG1 VAL 3 -14.903 2.683 5.886 14 2HG1 VAL 3 2HG1 VAL 3 -15.026 3.474 4.314 15 3HG1 VAL 3 3HG1 VAL 3 -14.933 4.444 5.784 16 1HG2 VAL 3 1HG2 VAL 3 -12.877 1.427 5.005 17 2HG2 VAL 3 2HG2 VAL 3 -11.526 2.338 4.331 18 3HG2 VAL 3 3HG2 VAL 3 -13.063 2.275 3.469 19 H GLU 4 H GLU 4 -14.601 6.356 3.958 20 HA GLU 4 HA GLU 4 -15.518 5.026 1.529 21 1HB GLU 4 2HB GLU 4 -16.352 7.726 2.629 22 2HB GLU 4 1HB GLU 4 -17.247 6.724 1.486 23 1HG GLU 4 2HG GLU 4 -16.756 5.021 3.645 24 2HG GLU 4 1HG GLU 4 -17.159 6.567 4.394 25 H LYS 5 H LYS 5 -13.826 8.064 2.291 26 HA LYS 5 HA LYS 5 -13.708 8.925 -0.479 27 1HB LYS 5 2HB LYS 5 -13.322 10.200 1.882 28 2HB LYS 5 1HB LYS 5 -11.646 9.894 1.426 29 1HG LYS 5 2HG LYS 5 -13.272 10.839 -0.820 30 2HG LYS 5 1HG LYS 5 -13.202 11.999 0.508 31 1HD LYS 5 2HD LYS 5 -10.680 11.645 0.521 32 2HD LYS 5 1HD LYS 5 -10.881 10.774 -0.999 33 1HE LYS 5 2HE LYS 5 -12.328 13.048 -1.487 34 2HE LYS 5 1HE LYS 5 -11.037 13.670 -0.458 35 1HZ LYS 5 1HZ LYS 5 -10.569 11.947 -2.826 36 2HZ LYS 5 2HZ LYS 5 -9.405 12.783 -1.912 37 3HZ LYS 5 3HZ LYS 5 -10.512 13.641 -2.874 38 H GLY 6 H GLY 6 -11.476 7.233 1.717 39 1HA GLY 6 2HA GLY 6 -9.273 7.155 -0.131 40 2HA GLY 6 1HA GLY 6 -9.472 6.095 1.265 41 H LYS 7 H LYS 7 -11.742 4.704 0.712 42 HA LYS 7 HA LYS 7 -10.911 2.717 -1.121 43 1HB LYS 7 2HB LYS 7 -12.599 2.238 0.560 44 2HB LYS 7 1HB LYS 7 -13.698 3.417 -0.155 45 1HG LYS 7 2HG LYS 7 -12.827 1.580 -2.192 46 2HG LYS 7 1HG LYS 7 -13.449 0.671 -0.814 47 1HD LYS 7 2HD LYS 7 -15.210 2.851 -1.170 48 2HD LYS 7 1HD LYS 7 -14.917 2.188 -2.780 49 1HE LYS 7 2HE LYS 7 -16.772 0.967 -1.860 50 2HE LYS 7 1HE LYS 7 -15.376 -0.108 -1.798 51 1HZ LYS 7 1HZ LYS 7 -15.212 0.072 0.452 52 2HZ LYS 7 2HZ LYS 7 -16.893 0.255 0.284 53 3HZ LYS 7 3HZ LYS 7 -15.905 1.620 0.506 54 H LYS 8 H LYS 8 -12.647 5.709 -1.652 55 HA LYS 8 HA LYS 8 -13.531 4.982 -4.340 56 1HB LYS 8 2HB LYS 8 -14.822 6.627 -3.090 57 2HB LYS 8 1HB LYS 8 -13.396 7.650 -2.902 58 1HG LYS 8 2HG LYS 8 -13.318 8.141 -5.235 59 2HG LYS 8 1HG LYS 8 -14.475 6.865 -5.615 60 1HD LYS 8 2HD LYS 8 -16.289 8.072 -4.725 61 2HD LYS 8 1HD LYS 8 -15.238 9.132 -3.785 62 1HE LYS 8 2HE LYS 8 -15.214 10.613 -5.476 63 2HE LYS 8 1HE LYS 8 -14.507 9.391 -6.533 64 1HZ LYS 8 1HZ LYS 8 -16.460 9.002 -7.511 65 2HZ LYS 8 2HZ LYS 8 -16.947 10.490 -6.853 66 3HZ LYS 8 3HZ LYS 8 -17.325 9.040 -6.053 67 H ILE 9 H ILE 9 -10.801 6.677 -2.885 68 HA ILE 9 HA ILE 9 -9.735 7.835 -5.260 69 HB ILE 9 HB ILE 9 -8.396 6.854 -2.728 70 1HG1 ILE 9 2HG1 ILE 9 -8.553 9.713 -3.560 71 2HG1 ILE 9 1HG1 ILE 9 -10.055 8.950 -3.039 72 1HG2 ILE 9 1HG2 ILE 9 -6.509 6.897 -4.009 73 2HG2 ILE 9 2HG2 ILE 9 -6.656 8.644 -3.815 74 3HG2 ILE 9 3HG2 ILE 9 -7.270 7.864 -5.273 75 1HD1 ILE 9 1HD1 ILE 9 -7.839 8.266 -1.279 76 2HD1 ILE 9 2HD1 ILE 9 -9.411 8.958 -0.879 77 3HD1 ILE 9 3HD1 ILE 9 -8.083 10.010 -1.372 78 H PHE 10 H PHE 10 -8.772 4.767 -3.656 79 HA PHE 10 HA PHE 10 -7.084 3.877 -5.769 80 1HB PHE 10 2HB PHE 10 -7.172 2.854 -3.483 81 2HB PHE 10 1HB PHE 10 -8.733 2.141 -3.903 82 HD1 PHE 10 HD1 PHE 10 -8.775 0.797 -6.186 83 HD2 PHE 10 HD2 PHE 10 -5.230 1.624 -3.905 84 HE1 PHE 10 HE1 PHE 10 -7.613 -1.085 -7.307 85 HE2 PHE 10 HE2 PHE 10 -4.069 -0.258 -5.026 86 HZ PHE 10 HZ PHE 10 -5.261 -1.612 -6.727 87 H ILE 11 H ILE 11 -10.531 3.237 -5.134 88 HA ILE 11 HA ILE 11 -11.023 1.537 -7.344 89 HB ILE 11 HB ILE 11 -12.799 3.533 -5.920 90 1HG1 ILE 11 2HG1 ILE 11 -11.891 1.465 -4.730 91 2HG1 ILE 11 1HG1 ILE 11 -13.649 1.610 -4.768 92 1HG2 ILE 11 1HG2 ILE 11 -13.333 1.715 -8.247 93 2HG2 ILE 11 2HG2 ILE 11 -13.947 3.338 -7.933 94 3HG2 ILE 11 3HG2 ILE 11 -14.601 1.960 -7.046 95 1HD1 ILE 11 1HD1 ILE 11 -12.819 -0.690 -5.354 96 2HD1 ILE 11 2HD1 ILE 11 -12.040 0.006 -6.775 97 3HD1 ILE 11 3HD1 ILE 11 -13.797 0.052 -6.619 98 H MET 12 H MET 12 -10.458 4.970 -7.214 99 HA MET 12 HA MET 12 -11.130 5.123 -10.128 100 1HB MET 12 2HB MET 12 -12.512 6.480 -8.351 101 2HB MET 12 1HB MET 12 -11.110 7.549 -8.361 102 1HG MET 12 2HG MET 12 -11.319 7.613 -10.892 103 2HG MET 12 1HG MET 12 -12.869 6.793 -10.706 104 1HE MET 12 1HE MET 12 -13.497 10.619 -11.583 105 2HE MET 12 2HE MET 12 -13.636 8.962 -12.163 106 3HE MET 12 3HE MET 12 -12.044 9.694 -11.986 107 H LYS 13 H LYS 13 -8.546 4.781 -8.271 108 HA LYS 13 HA LYS 13 -6.937 6.748 -9.849 109 1HB LYS 13 2HB LYS 13 -7.112 7.077 -7.274 110 2HB LYS 13 1HB LYS 13 -6.052 5.671 -7.177 111 1HG LYS 13 2HG LYS 13 -4.570 7.517 -7.204 112 2HG LYS 13 1HG LYS 13 -4.544 6.906 -8.858 113 1HD LYS 13 2HD LYS 13 -5.704 8.714 -9.694 114 2HD LYS 13 1HD LYS 13 -6.589 8.975 -8.190 115 1HE LYS 13 2HE LYS 13 -4.643 9.949 -7.135 116 2HE LYS 13 1HE LYS 13 -3.627 9.521 -8.512 117 1HZ LYS 13 1HZ LYS 13 -5.667 11.617 -8.287 118 2HZ LYS 13 2HZ LYS 13 -5.384 10.912 -9.807 119 3HZ LYS 13 3HZ LYS 13 -4.120 11.689 -8.978 120 H CYS 14 H CYS 14 -6.578 3.686 -8.008 121 HA CYS 14 HA CYS 14 -4.782 2.762 -10.216 122 1HB CYS 14 2HB CYS 14 -4.471 1.258 -7.739 123 2HB CYS 14 1HB CYS 14 -3.244 2.073 -8.701 124 H SER 15 H SER 15 -7.793 2.483 -9.721 125 HA SER 15 HA SER 15 -8.111 -0.407 -9.271 126 1HB SER 15 2HB SER 15 -9.768 1.588 -8.712 127 2HB SER 15 1HB SER 15 -10.293 1.326 -10.371 128 HG SER 15 HG SER 15 -10.168 -1.045 -9.455 129 H GLN 16 H GLN 16 -6.976 1.311 -11.808 130 HA GLN 16 HA GLN 16 -8.396 -0.268 -13.881 131 1HB GLN 16 2HB GLN 16 -6.370 1.965 -14.213 132 2HB GLN 16 1HB GLN 16 -7.383 1.265 -15.471 133 1HG GLN 16 2HG GLN 16 -9.087 2.061 -13.325 134 2HG GLN 16 1HG GLN 16 -8.017 3.413 -13.699 135 1HE2 GLN 16 1HE2 GLN 16 -10.775 1.627 -14.799 136 2HE2 GLN 16 2HE2 GLN 16 -10.969 2.429 -16.282 137 H CYS 17 H CYS 17 -5.154 0.426 -12.608 138 HA CYS 17 HA CYS 17 -4.046 -1.763 -14.277 139 1HB CYS 17 2HB CYS 17 -2.848 0.449 -12.622 140 2HB CYS 17 1HB CYS 17 -1.874 -0.958 -13.046 141 H HIS 18 H HIS 18 -4.968 -1.003 -10.993 142 HA HIS 18 HA HIS 18 -3.927 -3.673 -10.127 143 1HB HIS 18 2HB HIS 18 -4.501 -1.189 -8.490 144 2HB HIS 18 1HB HIS 18 -4.073 -2.753 -7.802 145 HD1 HIS 18 HD1 HIS 18 -1.624 -3.418 -7.826 146 HD2 HIS 18 HD2 HIS 18 -2.380 0.026 -10.036 147 HE1 HIS 18 HE1 HIS 18 0.634 -2.442 -8.426 148 H THR 19 H THR 19 -5.936 -4.622 -11.009 149 HA THR 19 HA THR 19 -8.487 -3.824 -9.824 150 HB THR 19 HB THR 19 -9.417 -5.701 -11.064 151 HG1 THR 19 HG1 THR 19 -8.163 -7.380 -11.066 152 1HG2 THR 19 1HG2 THR 19 -7.219 -4.348 -12.654 153 2HG2 THR 19 2HG2 THR 19 -8.830 -3.693 -12.367 154 3HG2 THR 19 3HG2 THR 19 -8.632 -5.152 -13.336 155 H VAL 20 H VAL 20 -7.870 -4.037 -7.547 156 HA VAL 20 HA VAL 20 -7.125 -6.677 -6.527 157 HB VAL 20 HB VAL 20 -7.034 -5.613 -4.381 158 1HG1 VAL 20 1HG1 VAL 20 -5.831 -3.397 -5.010 159 2HG1 VAL 20 2HG1 VAL 20 -6.126 -3.888 -6.677 160 3HG1 VAL 20 3HG1 VAL 20 -5.156 -4.910 -5.616 161 1HG2 VAL 20 1HG2 VAL 20 -8.965 -3.741 -5.667 162 2HG2 VAL 20 2HG2 VAL 20 -7.854 -3.049 -4.487 163 3HG2 VAL 20 3HG2 VAL 20 -8.933 -4.360 -4.016 164 H GLU 21 H GLU 21 -9.558 -6.896 -7.904 165 HA GLU 21 HA GLU 21 -11.248 -7.990 -5.816 166 1HB GLU 21 2HB GLU 21 -13.237 -6.489 -6.767 167 2HB GLU 21 1HB GLU 21 -12.239 -5.941 -5.421 168 1HG GLU 21 2HG GLU 21 -10.793 -4.701 -6.983 169 2HG GLU 21 1HG GLU 21 -11.780 -5.252 -8.337 170 H LYS 22 H LYS 22 -9.932 -8.618 -8.492 171 HA LYS 22 HA LYS 22 -12.348 -9.363 -10.065 172 1HB LYS 22 2HB LYS 22 -10.395 -8.224 -11.203 173 2HB LYS 22 1HB LYS 22 -9.440 -9.669 -10.864 174 1HG LYS 22 2HG LYS 22 -11.141 -11.032 -12.084 175 2HG LYS 22 1HG LYS 22 -11.994 -9.544 -12.498 176 1HD LYS 22 2HD LYS 22 -10.317 -8.824 -13.944 177 2HD LYS 22 1HD LYS 22 -9.071 -9.779 -13.140 178 1HE LYS 22 2HE LYS 22 -9.537 -10.864 -15.237 179 2HE LYS 22 1HE LYS 22 -10.267 -11.854 -13.974 180 1HZ LYS 22 1HZ LYS 22 -12.254 -10.158 -14.533 181 2HZ LYS 22 2HZ LYS 22 -12.080 -11.685 -15.256 182 3HZ LYS 22 3HZ LYS 22 -11.528 -10.293 -16.060 183 H GLY 23 H GLY 23 -9.215 -11.019 -9.578 184 1HA GLY 23 2HA GLY 23 -10.151 -13.185 -8.031 185 2HA GLY 23 1HA GLY 23 -10.396 -13.629 -9.721 186 H GLY 24 H GLY 24 -7.784 -11.889 -7.990 187 1HA GLY 24 1HA GLY 24 -5.486 -12.368 -7.869 188 2HA GLY 24 2HA GLY 24 -5.865 -14.014 -8.374 189 H LYS 25 H LYS 25 -7.233 -11.894 -10.568 190 HA LYS 25 HA LYS 25 -5.082 -12.462 -12.519 191 1HB LYS 25 2HB LYS 25 -7.460 -12.876 -13.129 192 2HB LYS 25 1HB LYS 25 -7.793 -11.157 -12.918 193 1HG LYS 25 2HG LYS 25 -7.421 -11.451 -15.255 194 2HG LYS 25 1HG LYS 25 -5.938 -10.733 -14.627 195 1HD LYS 25 2HD LYS 25 -5.307 -12.560 -16.075 196 2HD LYS 25 1HD LYS 25 -4.997 -13.064 -14.413 197 1HE LYS 25 2HE LYS 25 -6.701 -14.606 -14.417 198 2HE LYS 25 1HE LYS 25 -7.700 -13.654 -15.515 199 1HZ LYS 25 1HZ LYS 25 -5.294 -14.493 -16.775 200 2HZ LYS 25 2HZ LYS 25 -6.905 -14.757 -17.247 201 3HZ LYS 25 3HZ LYS 25 -6.147 -15.826 -16.165 202 H HIS 26 H HIS 26 -3.912 -10.812 -13.576 203 HA HIS 26 HA HIS 26 -4.392 -8.034 -12.599 204 1HB HIS 26 2HB HIS 26 -1.697 -8.024 -12.871 205 2HB HIS 26 1HB HIS 26 -2.505 -8.360 -11.342 206 HD1 HIS 26 HD1 HIS 26 -2.063 -10.648 -14.360 207 HD2 HIS 26 HD2 HIS 26 -1.016 -10.478 -10.328 208 HE1 HIS 26 HE1 HIS 26 -0.955 -12.858 -13.813 209 H LYS 27 H LYS 27 -4.858 -6.848 -14.376 210 HA LYS 27 HA LYS 27 -4.146 -7.667 -17.042 211 1HB LYS 27 2HB LYS 27 -5.242 -5.085 -15.905 212 2HB LYS 27 1HB LYS 27 -4.949 -5.319 -17.629 213 1HG LYS 27 2HG LYS 27 -6.357 -7.610 -16.748 214 2HG LYS 27 1HG LYS 27 -7.184 -6.218 -16.047 215 1HD LYS 27 2HD LYS 27 -6.568 -5.442 -18.671 216 2HD LYS 27 1HD LYS 27 -7.124 -7.110 -18.810 217 1HE LYS 27 2HE LYS 27 -8.598 -4.871 -17.389 218 2HE LYS 27 1HE LYS 27 -9.022 -5.545 -18.963 219 1HZ LYS 27 1HZ LYS 27 -9.821 -6.458 -16.478 220 2HZ LYS 27 2HZ LYS 27 -8.724 -7.615 -17.064 221 3HZ LYS 27 3HZ LYS 27 -10.092 -7.196 -17.981 222 H THR 28 H THR 28 -3.408 -4.413 -15.888 223 HA THR 28 HA THR 28 -0.672 -4.722 -17.021 224 HB THR 28 HB THR 28 -2.312 -2.277 -16.296 225 HG1 THR 28 HG1 THR 28 -1.733 -2.042 -18.686 226 1HG2 THR 28 1HG2 THR 28 -0.032 -1.559 -17.796 227 2HG2 THR 28 2HG2 THR 28 0.548 -2.605 -16.499 228 3HG2 THR 28 3HG2 THR 28 -0.375 -1.153 -16.115 229 H GLY 29 H GLY 29 -2.331 -3.456 -14.118 230 1HA GLY 29 2HA GLY 29 0.218 -3.249 -12.679 231 2HA GLY 29 1HA GLY 29 -1.371 -2.872 -12.022 232 HA PRO 30 HA PRO 30 0.175 -7.277 -10.911 233 1HB PRO 30 2HB PRO 30 1.343 -6.727 -8.499 234 2HB PRO 30 1HB PRO 30 2.235 -6.846 -10.020 235 1HG PRO 30 2HG PRO 30 1.409 -4.394 -8.505 236 2HG PRO 30 1HG PRO 30 2.851 -4.669 -9.499 237 1HD PRO 30 2HD PRO 30 0.637 -3.243 -10.369 238 2HD PRO 30 1HD PRO 30 1.788 -4.064 -11.441 239 H ASN 31 H ASN 31 -1.333 -8.463 -9.886 240 HA ASN 31 HA ASN 31 -3.666 -7.404 -8.755 241 1HB ASN 31 2HB ASN 31 -3.311 -9.791 -9.465 242 2HB ASN 31 1HB ASN 31 -2.415 -10.048 -7.967 243 1HD2 ASN 31 1HD2 ASN 31 -5.459 -8.223 -8.632 244 2HD2 ASN 31 2HD2 ASN 31 -6.380 -9.056 -7.476 245 H LEU 32 H LEU 32 -3.404 -5.843 -7.190 246 HA LEU 32 HA LEU 32 -1.596 -6.205 -4.942 247 1HB LEU 32 2HB LEU 32 -3.211 -4.075 -6.103 248 2HB LEU 32 1HB LEU 32 -3.329 -4.098 -4.346 249 HG LEU 32 HG LEU 32 -1.014 -3.748 -4.063 250 1HD1 LEU 32 1HD1 LEU 32 -0.866 -5.165 -6.631 251 2HD1 LEU 32 2HD1 LEU 32 0.305 -5.105 -5.313 252 3HD1 LEU 32 3HD1 LEU 32 0.263 -3.815 -6.515 253 1HD2 LEU 32 1HD2 LEU 32 -2.283 -2.203 -6.248 254 2HD2 LEU 32 2HD2 LEU 32 -0.526 -2.074 -6.158 255 3HD2 LEU 32 3HD2 LEU 32 -1.515 -1.634 -4.765 256 H HIS 33 H HIS 33 -2.774 -8.347 -4.387 257 HA HIS 33 HA HIS 33 -5.295 -7.852 -2.889 258 1HB HIS 33 2HB HIS 33 -5.727 -10.175 -3.031 259 2HB HIS 33 1HB HIS 33 -5.030 -9.770 -4.598 260 HD1 HIS 33 HD1 HIS 33 -2.371 -10.272 -4.825 261 HD2 HIS 33 HD2 HIS 33 -4.313 -12.113 -1.630 262 HE1 HIS 33 HE1 HIS 33 -0.836 -12.120 -4.022 263 H GLY 34 H GLY 34 -2.108 -9.430 -2.433 264 1HA GLY 34 2HA GLY 34 -2.479 -8.976 0.502 265 2HA GLY 34 1HA GLY 34 -1.652 -10.394 -0.143 266 H LEU 35 H LEU 35 -1.253 -7.178 -1.514 267 HA LEU 35 HA LEU 35 1.521 -7.187 -1.651 268 1HB LEU 35 2HB LEU 35 0.451 -5.369 -2.705 269 2HB LEU 35 1HB LEU 35 -0.445 -4.938 -1.250 270 HG LEU 35 HG LEU 35 2.509 -4.870 -0.999 271 1HD1 LEU 35 1HD1 LEU 35 2.812 -3.641 -2.875 272 2HD1 LEU 35 2HD1 LEU 35 1.970 -2.352 -2.015 273 3HD1 LEU 35 3HD1 LEU 35 1.079 -3.415 -3.106 274 1HD2 LEU 35 1HD2 LEU 35 1.625 -3.932 0.879 275 2HD2 LEU 35 2HD2 LEU 35 0.093 -3.564 0.088 276 3HD2 LEU 35 3HD2 LEU 35 1.474 -2.486 -0.120 277 H PHE 36 H PHE 36 -0.497 -6.265 1.122 278 HA PHE 36 HA PHE 36 1.687 -5.419 2.795 279 1HB PHE 36 2HB PHE 36 -1.032 -6.485 3.617 280 2HB PHE 36 1HB PHE 36 0.060 -5.532 4.620 281 HD1 PHE 36 HD1 PHE 36 -2.104 -5.463 1.609 282 HD2 PHE 36 HD2 PHE 36 0.259 -3.152 4.353 283 HE1 PHE 36 HE1 PHE 36 -3.060 -3.376 0.672 284 HE2 PHE 36 HE2 PHE 36 -0.700 -1.064 3.418 285 HZ PHE 36 HZ PHE 36 -2.358 -1.175 1.577 286 H GLY 37 H GLY 37 2.768 -6.576 4.437 287 1HA GLY 37 2HA GLY 37 3.825 -8.458 5.349 288 2HA GLY 37 1HA GLY 37 2.228 -9.203 5.302 289 H ARG 38 H ARG 38 3.456 -8.134 2.265 290 HA ARG 38 HA ARG 38 4.649 -10.776 1.655 291 1HB ARG 38 2HB ARG 38 2.030 -10.590 1.193 292 2HB ARG 38 1HB ARG 38 2.587 -9.772 -0.267 293 1HG ARG 38 2HG ARG 38 4.115 -11.741 -0.686 294 2HG ARG 38 1HG ARG 38 3.314 -12.567 0.653 295 1HD ARG 38 2HD ARG 38 2.398 -13.061 -1.689 296 2HD ARG 38 1HD ARG 38 1.213 -12.575 -0.476 297 HE ARG 38 HE ARG 38 0.726 -10.810 -1.946 298 1HH1 ARG 38 1HH2 ARG 38 3.808 -12.023 -2.713 299 2HH1 ARG 38 2HH2 ARG 38 4.344 -10.586 -3.518 300 1HH2 ARG 38 1HH1 ARG 38 1.528 -8.747 -2.678 301 2HH2 ARG 38 2HH1 ARG 38 3.057 -8.730 -3.492 302 H LYS 39 H LYS 39 6.549 -10.236 0.698 303 HA LYS 39 HA LYS 39 7.157 -7.666 -0.363 304 1HB LYS 39 2HB LYS 39 8.414 -10.378 -0.516 305 2HB LYS 39 1HB LYS 39 8.969 -9.147 -1.649 306 1HG LYS 39 2HG LYS 39 9.760 -7.748 0.050 307 2HG LYS 39 1HG LYS 39 8.715 -8.478 1.270 308 1HD LYS 39 2HD LYS 39 10.727 -9.462 1.846 309 2HD LYS 39 1HD LYS 39 10.139 -10.648 0.681 310 1HE LYS 39 2HE LYS 39 12.366 -10.211 -0.001 311 2HE LYS 39 1HE LYS 39 11.375 -9.248 -1.096 312 1HZ LYS 39 1HZ LYS 39 12.097 -7.921 1.366 313 2HZ LYS 39 2HZ LYS 39 12.125 -7.343 -0.232 314 3HZ LYS 39 3HZ LYS 39 13.411 -8.283 0.359 315 H THR 40 H THR 40 8.107 -7.790 -2.873 316 HA THR 40 HA THR 40 5.672 -8.012 -4.477 317 HB THR 40 HB THR 40 8.103 -7.632 -6.021 318 HG1 THR 40 HG1 THR 40 9.018 -6.055 -4.917 319 1HG2 THR 40 1HG2 THR 40 6.645 -6.304 -7.096 320 2HG2 THR 40 2HG2 THR 40 6.500 -5.269 -5.676 321 3HG2 THR 40 3HG2 THR 40 5.444 -6.669 -5.857 322 H GLY 41 H GLY 41 6.653 -8.910 -6.931 323 1HA GLY 41 2HA GLY 41 6.891 -10.920 -8.119 324 2HA GLY 41 1HA GLY 41 8.151 -11.292 -6.944 325 H GLN 42 H GLN 42 4.927 -12.022 -7.946 326 HA GLN 42 HA GLN 42 4.839 -14.215 -5.990 327 1HB GLN 42 2HB GLN 42 2.691 -13.602 -5.035 328 2HB GLN 42 1HB GLN 42 3.824 -12.273 -4.795 329 1HG GLN 42 2HG GLN 42 2.594 -11.863 -7.323 330 2HG GLN 42 1HG GLN 42 1.308 -12.242 -6.178 331 1HE2 GLN 42 1HE2 GLN 42 4.358 -10.291 -6.125 332 2HE2 GLN 42 2HE2 GLN 42 3.656 -8.957 -5.344 333 H ALA 43 H ALA 43 3.442 -12.579 -8.800 334 HA ALA 43 HA ALA 43 1.809 -14.975 -9.399 335 1HB ALA 43 1HB ALA 43 0.497 -13.174 -9.971 336 2HB ALA 43 2HB ALA 43 1.344 -13.371 -11.505 337 3HB ALA 43 3HB ALA 43 1.883 -12.151 -10.350 338 HA PRO 44 HA PRO 44 5.004 -16.447 -12.099 339 1HB PRO 44 2HB PRO 44 3.553 -18.517 -13.177 340 2HB PRO 44 1HB PRO 44 4.281 -18.571 -11.562 341 1HG PRO 44 2HG PRO 44 1.418 -18.231 -12.317 342 2HG PRO 44 1HG PRO 44 2.115 -18.888 -10.827 343 1HD PRO 44 2HD PRO 44 1.037 -16.284 -11.161 344 2HD PRO 44 1HD PRO 44 2.003 -16.851 -9.781 345 H GLY 45 H GLY 45 5.546 -15.932 -14.222 346 1HA GLY 45 2HA GLY 45 5.150 -15.572 -16.558 347 2HA GLY 45 1HA GLY 45 3.414 -15.638 -16.247 348 H TYR 46 H TYR 46 3.818 -13.746 -13.923 349 HA TYR 46 HA TYR 46 3.799 -11.246 -15.534 350 1HB TYR 46 2HB TYR 46 1.865 -11.806 -14.025 351 2HB TYR 46 1HB TYR 46 2.961 -11.712 -12.653 352 HD1 TYR 46 HD1 TYR 46 4.410 -9.234 -14.433 353 HD2 TYR 46 HD2 TYR 46 0.589 -10.060 -12.683 354 HE1 TYR 46 HE1 TYR 46 3.976 -6.823 -14.267 355 HE2 TYR 46 HE2 TYR 46 0.179 -7.634 -12.521 356 HH TYR 46 HH TYR 46 2.556 -5.308 -12.870 357 H SER 47 H SER 47 5.836 -10.397 -15.652 358 HA SER 47 HA SER 47 7.792 -10.760 -13.518 359 1HB SER 47 2HB SER 47 8.779 -8.725 -15.078 360 2HB SER 47 1HB SER 47 9.031 -10.438 -15.404 361 HG SER 47 HG SER 47 7.666 -10.329 -17.016 362 H TYR 48 H TYR 48 6.436 -9.861 -11.793 363 HA TYR 48 HA TYR 48 5.282 -7.339 -11.600 364 1HB TYR 48 2HB TYR 48 6.565 -9.240 -9.741 365 2HB TYR 48 1HB TYR 48 6.446 -7.592 -9.151 366 HD1 TYR 48 HD1 TYR 48 4.111 -9.484 -11.378 367 HD2 TYR 48 HD2 TYR 48 4.785 -7.644 -7.574 368 HE1 TYR 48 HE1 TYR 48 1.746 -9.906 -10.757 369 HE2 TYR 48 HE2 TYR 48 2.423 -8.057 -6.941 370 HH TYR 48 HH TYR 48 0.563 -9.290 -7.505 371 H THR 49 H THR 49 6.411 -5.547 -10.034 372 HA THR 49 HA THR 49 8.467 -4.306 -11.562 373 HB THR 49 HB THR 49 8.688 -3.529 -8.795 374 HG1 THR 49 HG1 THR 49 6.677 -3.459 -8.170 375 1HG2 THR 49 1HG2 THR 49 7.079 -1.795 -10.474 376 2HG2 THR 49 2HG2 THR 49 8.500 -2.379 -11.338 377 3HG2 THR 49 3HG2 THR 49 8.687 -1.522 -9.809 378 H ALA 50 H ALA 50 10.074 -5.910 -11.933 379 HA ALA 50 HA ALA 50 11.361 -7.518 -10.029 380 1HB ALA 50 1HB ALA 50 13.245 -6.449 -11.976 381 2HB ALA 50 2HB ALA 50 11.720 -6.910 -12.735 382 3HB ALA 50 3HB ALA 50 12.635 -8.095 -11.801 383 H ALA 51 H ALA 51 11.958 -4.131 -10.868 384 HA ALA 51 HA ALA 51 14.369 -3.792 -9.415 385 1HB ALA 51 1HB ALA 51 12.224 -2.011 -10.433 386 2HB ALA 51 2HB ALA 51 13.968 -1.911 -10.653 387 3HB ALA 51 3HB ALA 51 13.239 -1.352 -9.151 388 H ASN 52 H ASN 52 10.974 -3.380 -8.324 389 HA ASN 52 HA ASN 52 11.620 -2.629 -5.640 390 1HB ASN 52 2HB ASN 52 9.359 -2.392 -6.700 391 2HB ASN 52 1HB ASN 52 9.174 -4.142 -6.599 392 1HD2 ASN 52 1HD2 ASN 52 8.870 -1.193 -4.818 393 2HD2 ASN 52 2HD2 ASN 52 8.530 -1.888 -3.308 394 H LYS 53 H LYS 53 10.597 -5.806 -6.940 395 HA LYS 53 HA LYS 53 10.838 -7.321 -4.600 396 1HB LYS 53 2HB LYS 53 9.955 -8.300 -6.637 397 2HB LYS 53 1HB LYS 53 11.509 -8.107 -7.449 398 1HG LYS 53 2HG LYS 53 12.294 -10.029 -6.568 399 2HG LYS 53 1HG LYS 53 11.810 -9.548 -4.942 400 1HD LYS 53 2HD LYS 53 9.408 -10.147 -5.693 401 2HD LYS 53 1HD LYS 53 10.184 -10.995 -7.030 402 1HE LYS 53 2HE LYS 53 11.285 -12.508 -5.591 403 2HE LYS 53 1HE LYS 53 11.044 -11.476 -4.180 404 1HZ LYS 53 1HZ LYS 53 9.192 -12.585 -3.765 405 2HZ LYS 53 2HZ LYS 53 9.373 -13.510 -5.179 406 3HZ LYS 53 3HZ LYS 53 8.533 -12.034 -5.228 407 H ASN 54 H ASN 54 13.413 -6.327 -6.826 408 HA ASN 54 HA ASN 54 15.436 -7.818 -5.363 409 1HB ASN 54 2HB ASN 54 15.440 -5.940 -7.704 410 2HB ASN 54 1HB ASN 54 16.958 -6.308 -6.885 411 1HD2 ASN 54 1HD2 ASN 54 16.474 -7.171 -9.579 412 2HD2 ASN 54 2HD2 ASN 54 16.368 -8.865 -9.587 413 H LYS 55 H LYS 55 14.049 -4.633 -5.258 414 HA LYS 55 HA LYS 55 16.189 -3.272 -3.954 415 1HB LYS 55 2HB LYS 55 13.793 -2.540 -4.979 416 2HB LYS 55 1HB LYS 55 13.395 -2.563 -3.268 417 1HG LYS 55 2HG LYS 55 15.793 -1.109 -4.413 418 2HG LYS 55 1HG LYS 55 14.239 -0.335 -4.108 419 1HD LYS 55 2HD LYS 55 16.074 -1.622 -2.073 420 2HD LYS 55 1HD LYS 55 15.631 0.080 -2.188 421 1HE LYS 55 2HE LYS 55 13.229 -0.603 -1.814 422 2HE LYS 55 1HE LYS 55 13.809 -2.233 -1.476 423 1HZ LYS 55 1HZ LYS 55 14.331 0.253 0.030 424 2HZ LYS 55 2HZ LYS 55 15.330 -1.111 0.200 425 3HZ LYS 55 3HZ LYS 55 13.681 -1.207 0.596 426 H GLY 56 H GLY 56 14.209 -5.829 -2.920 427 1HA GLY 56 1HA GLY 56 13.965 -6.860 -0.823 428 2HA GLY 56 2HA GLY 56 15.375 -5.931 -0.311 429 H ILE 57 H ILE 57 11.941 -5.328 -1.133 430 HA ILE 57 HA ILE 57 11.819 -3.572 1.287 431 HB ILE 57 HB ILE 57 11.871 -2.299 -0.884 432 1HG1 ILE 57 2HG1 ILE 57 10.707 -1.486 1.221 433 2HG1 ILE 57 1HG1 ILE 57 10.090 -0.798 -0.280 434 1HG2 ILE 57 1HG2 ILE 57 10.093 -2.479 -2.447 435 2HG2 ILE 57 2HG2 ILE 57 9.108 -3.432 -1.337 436 3HG2 ILE 57 3HG2 ILE 57 10.540 -4.145 -2.078 437 1HD1 ILE 57 1HD1 ILE 57 8.743 -2.530 1.672 438 2HD1 ILE 57 2HD1 ILE 57 8.546 -3.075 0.009 439 3HD1 ILE 57 3HD1 ILE 57 8.051 -1.445 0.468 440 H ILE 58 H ILE 58 10.352 -4.333 2.706 441 HA ILE 58 HA ILE 58 8.313 -6.276 1.830 442 HB ILE 58 HB ILE 58 9.278 -6.823 3.937 443 1HG1 ILE 58 2HG1 ILE 58 7.421 -6.747 5.463 444 2HG1 ILE 58 1HG1 ILE 58 6.770 -5.300 4.694 445 1HG2 ILE 58 1HG2 ILE 58 10.438 -4.960 4.688 446 2HG2 ILE 58 2HG2 ILE 58 9.064 -4.939 5.793 447 3HG2 ILE 58 3HG2 ILE 58 9.084 -3.869 4.391 448 1HD1 ILE 58 1HD1 ILE 58 7.170 -7.769 3.038 449 2HD1 ILE 58 2HD1 ILE 58 5.995 -6.468 2.838 450 3HD1 ILE 58 3HD1 ILE 58 5.770 -7.673 4.107 451 H TRP 59 H TRP 59 6.772 -5.167 0.655 452 HA TRP 59 HA TRP 59 5.892 -2.602 0.736 453 1HB TRP 59 2HB TRP 59 4.397 -5.162 0.319 454 2HB TRP 59 1HB TRP 59 3.499 -3.643 0.363 455 HD1 TRP 59 HD1 TRP 59 4.592 -5.709 -2.177 456 HE1 TRP 59 HE1 TRP 59 5.494 -4.467 -4.249 457 HE3 TRP 59 HE3 TRP 59 5.399 -1.084 -0.158 458 HZ2 TRP 59 HZ2 TRP 59 6.438 -1.862 -4.951 459 HZ3 TRP 59 HZ3 TRP 59 6.303 0.752 -1.550 460 HH2 TRP 59 HH2 TRP 59 6.821 0.368 -3.940 461 H GLY 60 H GLY 60 5.556 -1.349 2.464 462 1HA GLY 60 1HA GLY 60 3.677 -2.343 4.565 463 2HA GLY 60 2HA GLY 60 5.148 -1.475 5.005 464 H GLU 61 H GLU 61 3.411 -0.011 6.004 465 HA GLU 61 HA GLU 61 1.761 1.587 4.245 466 1HB GLU 61 2HB GLU 61 1.051 1.370 6.522 467 2HB GLU 61 1HB GLU 61 2.618 1.903 7.129 468 1HG GLU 61 2HG GLU 61 2.260 4.139 6.389 469 2HG GLU 61 1HG GLU 61 0.882 3.666 5.393 470 H ASP 62 H ASP 62 4.669 2.441 6.174 471 HA ASP 62 HA ASP 62 5.006 4.977 4.879 472 1HB ASP 62 2HB ASP 62 5.976 4.117 7.138 473 2HB ASP 62 1HB ASP 62 7.276 3.462 6.142 474 H THR 63 H THR 63 6.515 1.790 4.340 475 HA THR 63 HA THR 63 8.397 2.610 2.385 476 HB THR 63 HB THR 63 7.608 0.095 1.543 477 HG1 THR 63 HG1 THR 63 7.550 -0.650 4.013 478 1HG2 THR 63 1HG2 THR 63 9.893 0.886 2.125 479 2HG2 THR 63 2HG2 THR 63 9.529 -0.685 2.839 480 3HG2 THR 63 3HG2 THR 63 9.475 0.770 3.835 481 H LEU 64 H LEU 64 4.971 1.759 2.086 482 HA LEU 64 HA LEU 64 4.938 1.931 -0.806 483 1HB LEU 64 2HB LEU 64 3.173 1.032 1.096 484 2HB LEU 64 1HB LEU 64 2.431 2.554 0.610 485 HG LEU 64 HG LEU 64 3.166 0.210 -1.152 486 1HD1 LEU 64 1HD1 LEU 64 0.625 1.610 -0.325 487 2HD1 LEU 64 2HD1 LEU 64 1.028 -0.101 -0.189 488 3HD1 LEU 64 3HD1 LEU 64 0.690 0.603 -1.770 489 1HD2 LEU 64 1HD2 LEU 64 3.827 2.093 -2.441 490 2HD2 LEU 64 2HD2 LEU 64 2.491 3.076 -1.839 491 3HD2 LEU 64 3HD2 LEU 64 2.177 1.759 -2.970 492 H MET 65 H MET 65 4.462 4.189 1.850 493 HA MET 65 HA MET 65 3.290 6.356 0.485 494 1HB MET 65 2HB MET 65 3.770 6.242 2.955 495 2HB MET 65 1HB MET 65 5.467 6.555 2.589 496 1HG MET 65 2HG MET 65 4.395 8.583 1.211 497 2HG MET 65 1HG MET 65 3.119 8.387 2.412 498 1HE MET 65 1HE MET 65 7.186 7.807 3.058 499 2HE MET 65 2HE MET 65 7.469 9.536 2.875 500 3HE MET 65 3HE MET 65 6.664 8.641 1.589 501 H GLU 66 H GLU 66 6.680 5.318 0.609 502 HA GLU 66 HA GLU 66 7.669 7.593 -0.871 503 1HB GLU 66 2HB GLU 66 8.934 5.895 0.679 504 2HB GLU 66 1HB GLU 66 9.080 4.945 -0.798 505 1HG GLU 66 2HG GLU 66 10.872 6.212 -1.314 506 2HG GLU 66 1HG GLU 66 9.746 7.542 -1.585 507 H TYR 67 H TYR 67 7.292 4.148 -1.801 508 HA TYR 67 HA TYR 67 7.923 4.359 -4.509 509 1HB TYR 67 2HB TYR 67 7.405 2.227 -3.363 510 2HB TYR 67 1HB TYR 67 5.701 2.676 -3.318 511 HD1 TYR 67 HD1 TYR 67 4.428 1.561 -4.907 512 HD2 TYR 67 HD2 TYR 67 8.419 2.776 -5.923 513 HE1 TYR 67 HE1 TYR 67 4.125 0.647 -7.190 514 HE2 TYR 67 HE2 TYR 67 8.116 1.863 -8.207 515 HH TYR 67 HH TYR 67 5.452 -0.144 -9.039 516 H LEU 68 H LEU 68 4.949 5.375 -2.907 517 HA LEU 68 HA LEU 68 3.572 5.856 -5.448 518 1HB LEU 68 2HB LEU 68 2.846 5.743 -2.668 519 2HB LEU 68 1HB LEU 68 2.307 7.281 -3.343 520 HG LEU 68 HG LEU 68 1.162 6.123 -5.164 521 1HD1 LEU 68 1HD1 LEU 68 1.272 3.815 -5.535 522 2HD1 LEU 68 2HD1 LEU 68 1.775 3.472 -3.879 523 3HD1 LEU 68 3HD1 LEU 68 2.921 4.172 -5.021 524 1HD2 LEU 68 1HD2 LEU 68 0.197 4.457 -2.932 525 2HD2 LEU 68 2HD2 LEU 68 -0.655 5.686 -3.867 526 3HD2 LEU 68 3HD2 LEU 68 0.382 6.162 -2.522 527 H GLU 69 H GLU 69 5.280 7.772 -3.004 528 HA GLU 69 HA GLU 69 4.674 10.351 -4.032 529 1HB GLU 69 2HB GLU 69 6.048 9.507 -1.911 530 2HB GLU 69 1HB GLU 69 7.410 9.726 -2.999 531 1HG GLU 69 2HG GLU 69 6.510 12.058 -3.477 532 2HG GLU 69 1HG GLU 69 5.393 11.809 -2.135 533 H ASN 70 H ASN 70 6.643 7.767 -5.132 534 HA ASN 70 HA ASN 70 7.036 8.822 -7.742 535 1HB ASN 70 2HB ASN 70 9.585 9.098 -7.525 536 2HB ASN 70 1HB ASN 70 8.593 10.404 -6.875 537 1HD2 ASN 70 1HD2 ASN 70 10.940 10.484 -5.678 538 2HD2 ASN 70 2HD2 ASN 70 10.960 9.716 -4.165 539 HA PRO 71 HA PRO 71 7.719 4.364 -7.328 540 1HB PRO 71 2HB PRO 71 6.597 3.778 -9.778 541 2HB PRO 71 1HB PRO 71 5.663 3.949 -8.283 542 1HG PRO 71 2HG PRO 71 5.904 5.843 -10.573 543 2HG PRO 71 1HG PRO 71 4.577 5.641 -9.419 544 1HD PRO 71 2HD PRO 71 6.502 7.702 -9.346 545 2HD PRO 71 1HD PRO 71 5.419 7.249 -8.012 546 H LYS 72 H LYS 72 8.442 6.487 -10.075 547 HA LYS 72 HA LYS 72 10.367 4.668 -11.246 548 1HB LYS 72 2HB LYS 72 9.034 6.716 -12.291 549 2HB LYS 72 1HB LYS 72 10.453 7.612 -11.754 550 1HG LYS 72 2HG LYS 72 11.187 5.113 -13.064 551 2HG LYS 72 1HG LYS 72 10.231 6.150 -14.123 552 1HD LYS 72 2HD LYS 72 11.770 8.041 -13.612 553 2HD LYS 72 1HD LYS 72 12.753 6.946 -12.639 554 1HE LYS 72 2HE LYS 72 13.866 6.404 -14.522 555 2HE LYS 72 1HE LYS 72 12.392 5.618 -15.086 556 1HZ LYS 72 1HZ LYS 72 11.753 7.475 -16.276 557 2HZ LYS 72 2HZ LYS 72 13.436 7.456 -16.516 558 3HZ LYS 72 3HZ LYS 72 12.746 8.527 -15.391 559 H LYS 73 H LYS 73 10.363 6.793 -8.586 560 HA LYS 73 HA LYS 73 13.291 7.234 -8.659 561 1HB LYS 73 2HB LYS 73 12.062 9.146 -7.915 562 2HB LYS 73 1HB LYS 73 11.084 8.175 -6.814 563 1HG LYS 73 2HG LYS 73 12.823 9.412 -5.579 564 2HG LYS 73 1HG LYS 73 13.093 7.673 -5.469 565 1HD LYS 73 2HD LYS 73 14.615 7.984 -7.542 566 2HD LYS 73 1HD LYS 73 14.577 9.699 -7.137 567 1HE LYS 73 2HE LYS 73 15.081 8.086 -4.774 568 2HE LYS 73 1HE LYS 73 16.278 7.763 -6.030 569 1HZ LYS 73 1HZ LYS 73 15.550 10.547 -5.490 570 2HZ LYS 73 2HZ LYS 73 17.034 9.894 -5.996 571 3HZ LYS 73 3HZ LYS 73 16.552 9.757 -4.372 572 H TYR 74 H TYR 74 10.845 5.621 -6.612 573 HA TYR 74 HA TYR 74 12.821 4.478 -4.821 574 1HB TYR 74 2HB TYR 74 10.285 4.837 -4.399 575 2HB TYR 74 1HB TYR 74 10.066 3.346 -5.312 576 HD1 TYR 74 HD1 TYR 74 12.703 4.410 -2.871 577 HD2 TYR 74 HD2 TYR 74 9.570 1.626 -3.810 578 HE1 TYR 74 HE1 TYR 74 13.275 3.086 -0.854 579 HE2 TYR 74 HE2 TYR 74 10.142 0.302 -1.794 580 HH TYR 74 HH TYR 74 11.743 1.350 0.696 581 H ILE 75 H ILE 75 10.604 2.815 -7.080 582 HA ILE 75 HA ILE 75 12.617 0.696 -7.441 583 HB ILE 75 HB ILE 75 9.812 0.836 -8.560 584 1HG1 ILE 75 2HG1 ILE 75 9.606 1.185 -6.171 585 2HG1 ILE 75 1HG1 ILE 75 9.202 -0.500 -6.506 586 1HG2 ILE 75 1HG2 ILE 75 11.069 -0.920 -9.523 587 2HG2 ILE 75 2HG2 ILE 75 10.127 -1.683 -8.243 588 3HG2 ILE 75 3HG2 ILE 75 11.833 -1.316 -7.985 589 1HD1 ILE 75 1HD1 ILE 75 11.583 0.642 -5.126 590 2HD1 ILE 75 2HD1 ILE 75 11.846 -0.780 -6.136 591 3HD1 ILE 75 3HD1 ILE 75 10.703 -0.850 -4.795 592 HA PRO 76 HA PRO 76 13.501 2.963 -11.253 593 1HB PRO 76 2HB PRO 76 15.937 1.756 -11.652 594 2HB PRO 76 1HB PRO 76 15.698 3.149 -10.584 595 1HG PRO 76 2HG PRO 76 16.137 0.287 -9.867 596 2HG PRO 76 1HG PRO 76 16.517 1.747 -8.938 597 1HD PRO 76 2HD PRO 76 14.299 0.046 -8.509 598 2HD PRO 76 1HD PRO 76 14.513 1.675 -7.838 599 H GLY 77 H GLY 77 11.682 1.530 -12.129 600 1HA GLY 77 2HA GLY 77 12.373 0.151 -14.430 601 2HA GLY 77 1HA GLY 77 12.385 -1.090 -13.177 602 H THR 78 H THR 78 10.179 0.491 -11.729 603 HA THR 78 HA THR 78 7.958 -0.989 -12.449 604 HB THR 78 HB THR 78 8.083 0.691 -10.546 605 HG1 THR 78 HG1 THR 78 6.132 -0.288 -11.061 606 1HG2 THR 78 1HG2 THR 78 8.321 2.478 -12.765 607 2HG2 THR 78 2HG2 THR 78 8.337 2.869 -11.045 608 3HG2 THR 78 3HG2 THR 78 6.812 2.843 -11.929 609 H LYS 79 H LYS 79 6.096 -0.557 -13.792 610 HA LYS 79 HA LYS 79 6.796 1.075 -16.194 611 1HB LYS 79 2HB LYS 79 5.189 -1.450 -15.835 612 2HB LYS 79 1HB LYS 79 4.945 -0.423 -17.248 613 1HG LYS 79 2HG LYS 79 7.175 -0.717 -17.991 614 2HG LYS 79 1HG LYS 79 7.703 -1.333 -16.425 615 1HD LYS 79 2HD LYS 79 6.850 -3.438 -16.806 616 2HD LYS 79 1HD LYS 79 5.543 -2.838 -17.828 617 1HE LYS 79 2HE LYS 79 7.637 -2.151 -19.375 618 2HE LYS 79 1HE LYS 79 8.344 -3.540 -18.550 619 1HZ LYS 79 1HZ LYS 79 7.195 -4.852 -19.889 620 2HZ LYS 79 2HZ LYS 79 6.463 -3.514 -20.638 621 3HZ LYS 79 3HZ LYS 79 5.744 -4.225 -19.273 622 H MET 80 H MET 80 5.154 1.452 -13.448 623 HA MET 80 HA MET 80 2.683 2.499 -14.711 624 1HB MET 80 2HB MET 80 1.745 2.617 -12.499 625 2HB MET 80 1HB MET 80 2.588 1.091 -12.637 626 1HG MET 80 2HG MET 80 4.464 1.903 -11.412 627 2HG MET 80 1HG MET 80 3.801 3.521 -11.386 628 1HE MET 80 1HE MET 80 2.663 3.806 -8.182 629 2HE MET 80 2HE MET 80 1.470 4.127 -9.440 630 3HE MET 80 3HE MET 80 3.179 4.417 -9.760 631 H ILE 81 H ILE 81 2.673 4.536 -15.357 632 HA ILE 81 HA ILE 81 4.725 6.423 -14.441 633 HB ILE 81 HB ILE 81 2.402 6.830 -16.353 634 1HG1 ILE 81 2HG1 ILE 81 4.101 5.055 -16.986 635 2HG1 ILE 81 1HG1 ILE 81 3.984 6.399 -18.122 636 1HG2 ILE 81 1HG2 ILE 81 3.006 9.002 -16.114 637 2HG2 ILE 81 2HG2 ILE 81 4.452 8.562 -17.024 638 3HG2 ILE 81 3HG2 ILE 81 4.491 8.580 -15.261 639 1HD1 ILE 81 1HD1 ILE 81 5.957 6.590 -15.877 640 2HD1 ILE 81 2HD1 ILE 81 6.031 7.293 -17.492 641 3HD1 ILE 81 3HD1 ILE 81 6.350 5.574 -17.264 642 H PHE 82 H PHE 82 3.746 6.195 -12.172 643 HA PHE 82 HA PHE 82 1.330 7.890 -11.818 644 1HB PHE 82 2HB PHE 82 1.590 5.611 -10.691 645 2HB PHE 82 1HB PHE 82 2.827 6.355 -9.682 646 HD1 PHE 82 HD1 PHE 82 1.903 6.636 -7.544 647 HD2 PHE 82 HD2 PHE 82 -0.417 7.691 -11.001 648 HE1 PHE 82 HE1 PHE 82 0.128 7.555 -6.074 649 HE2 PHE 82 HE2 PHE 82 -2.190 8.611 -9.532 650 HZ PHE 82 HZ PHE 82 -1.918 8.537 -7.068 651 H VAL 83 H VAL 83 1.425 9.734 -10.423 652 HA VAL 83 HA VAL 83 4.136 10.933 -10.294 653 HB VAL 83 HB VAL 83 2.546 12.916 -9.374 654 1HG1 VAL 83 1HG1 VAL 83 3.410 13.796 -11.252 655 2HG1 VAL 83 2HG1 VAL 83 2.232 12.903 -12.215 656 3HG1 VAL 83 3HG1 VAL 83 3.794 12.178 -11.835 657 1HG2 VAL 83 1HG2 VAL 83 0.396 12.893 -10.477 658 2HG2 VAL 83 2HG2 VAL 83 0.535 11.389 -9.566 659 3HG2 VAL 83 3HG2 VAL 83 0.784 11.388 -11.310 660 H GLY 84 H GLY 84 1.551 11.687 -8.018 661 1HA GLY 84 2HA GLY 84 1.920 10.221 -5.802 662 2HA GLY 84 1HA GLY 84 3.442 11.114 -5.817 663 H ILE 85 H ILE 85 0.447 11.158 -4.486 664 HA ILE 85 HA ILE 85 -0.358 13.896 -4.752 665 HB ILE 85 HB ILE 85 -0.832 12.309 -2.241 666 1HG1 ILE 85 2HG1 ILE 85 -2.879 11.673 -4.069 667 2HG1 ILE 85 1HG1 ILE 85 -1.374 11.432 -4.956 668 1HG2 ILE 85 1HG2 ILE 85 -1.954 14.345 -2.123 669 2HG2 ILE 85 2HG2 ILE 85 -3.190 13.326 -2.858 670 3HG2 ILE 85 3HG2 ILE 85 -2.229 14.411 -3.863 671 1HD1 ILE 85 1HD1 ILE 85 -1.699 9.357 -3.897 672 2HD1 ILE 85 2HD1 ILE 85 -2.294 10.104 -2.413 673 3HD1 ILE 85 3HD1 ILE 85 -0.578 10.183 -2.814 674 H LYS 86 H LYS 86 -0.106 15.609 -3.116 675 HA LYS 86 HA LYS 86 2.565 15.433 -1.807 676 1HB LYS 86 2HB LYS 86 0.839 17.792 -2.599 677 2HB LYS 86 1HB LYS 86 2.330 17.947 -1.669 678 1HG LYS 86 2HG LYS 86 2.175 16.571 -4.365 679 2HG LYS 86 1HG LYS 86 2.628 18.263 -4.155 680 1HD LYS 86 2HD LYS 86 4.113 16.535 -2.344 681 2HD LYS 86 1HD LYS 86 4.352 16.067 -4.027 682 1HE LYS 86 2HE LYS 86 4.420 18.924 -3.871 683 2HE LYS 86 1HE LYS 86 5.508 18.275 -2.645 684 1HZ LYS 86 1HZ LYS 86 6.818 18.362 -4.531 685 2HZ LYS 86 2HZ LYS 86 5.563 17.875 -5.567 686 3HZ LYS 86 3HZ LYS 86 6.297 16.747 -4.529 687 H LYS 87 H LYS 87 -0.739 15.296 -1.058 688 HA LYS 87 HA LYS 87 -0.402 16.472 1.633 689 1HB LYS 87 2HB LYS 87 -2.529 16.503 0.000 690 2HB LYS 87 1HB LYS 87 -2.887 15.013 0.874 691 1HG LYS 87 2HG LYS 87 -3.875 16.518 2.315 692 2HG LYS 87 1HG LYS 87 -2.237 16.539 2.972 693 1HD LYS 87 2HD LYS 87 -2.019 18.401 0.987 694 2HD LYS 87 1HD LYS 87 -3.694 18.637 1.485 695 1HE LYS 87 2HE LYS 87 -3.111 19.271 3.642 696 2HE LYS 87 1HE LYS 87 -1.586 18.387 3.600 697 1HZ LYS 87 1HZ LYS 87 -2.087 21.086 2.943 698 2HZ LYS 87 2HZ LYS 87 -1.463 20.281 1.583 699 3HZ LYS 87 3HZ LYS 87 -0.601 20.274 3.047 700 H LYS 88 H LYS 88 0.250 15.232 3.314 701 HA LYS 88 HA LYS 88 0.797 12.448 3.106 702 1HB LYS 88 2HB LYS 88 1.200 14.465 5.016 703 2HB LYS 88 1HB LYS 88 0.217 13.252 5.837 704 1HG LYS 88 2HG LYS 88 1.803 11.507 5.296 705 2HG LYS 88 1HG LYS 88 2.731 12.605 4.274 706 1HD LYS 88 2HD LYS 88 2.925 14.054 6.444 707 2HD LYS 88 1HD LYS 88 2.508 12.555 7.274 708 1HE LYS 88 2HE LYS 88 4.788 12.267 7.203 709 2HE LYS 88 1HE LYS 88 4.397 11.599 5.618 710 1HZ LYS 88 1HZ LYS 88 6.007 13.790 6.186 711 2HZ LYS 88 2HZ LYS 88 4.611 14.400 5.432 712 3HZ LYS 88 3HZ LYS 88 5.545 13.210 4.660 713 H GLU 89 H GLU 89 -2.076 14.193 4.177 714 HA GLU 89 HA GLU 89 -3.441 11.959 5.329 715 1HB GLU 89 2HB GLU 89 -3.998 14.506 5.437 716 2HB GLU 89 1HB GLU 89 -4.872 14.210 3.933 717 1HG GLU 89 2HG GLU 89 -5.849 12.160 5.335 718 2HG GLU 89 1HG GLU 89 -5.452 13.218 6.690 719 H GLU 90 H GLU 90 -2.999 13.042 2.030 720 HA GLU 90 HA GLU 90 -5.146 11.449 0.905 721 1HB GLU 90 2HB GLU 90 -3.613 13.467 -0.065 722 2HB GLU 90 1HB GLU 90 -2.793 12.083 -0.787 723 1HG GLU 90 2HG GLU 90 -4.427 11.913 -2.322 724 2HG GLU 90 1HG GLU 90 -5.609 11.663 -1.036 725 H ARG 91 H ARG 91 -1.636 10.975 1.298 726 HA ARG 91 HA ARG 91 -1.555 8.426 -0.032 727 1HB ARG 91 2HB ARG 91 0.262 9.613 2.088 728 2HB ARG 91 1HB ARG 91 0.628 8.166 1.151 729 1HG ARG 91 2HG ARG 91 1.539 9.530 -0.399 730 2HG ARG 91 1HG ARG 91 -0.101 10.064 -0.768 731 1HD ARG 91 2HD ARG 91 0.824 12.106 -0.236 732 2HD ARG 91 1HD ARG 91 0.330 11.602 1.379 733 HE ARG 91 HE ARG 91 2.766 10.676 1.519 734 1HH1 ARG 91 1HH1 ARG 91 2.295 13.673 1.988 735 2HH1 ARG 91 2HH1 ARG 91 3.571 14.355 1.036 736 1HH2 ARG 91 1HH2 ARG 91 4.188 11.425 -0.716 737 2HH2 ARG 91 2HH2 ARG 91 4.650 13.078 -0.490 738 H ALA 92 H ALA 92 -1.469 9.210 3.463 739 HA ALA 92 HA ALA 92 -1.642 6.613 4.483 740 1HB ALA 92 1HB ALA 92 -1.453 8.072 6.231 741 2HB ALA 92 2HB ALA 92 -3.213 7.963 6.246 742 3HB ALA 92 3HB ALA 92 -2.420 9.310 5.430 743 H ASP 93 H ASP 93 -4.219 8.657 3.198 744 HA ASP 93 HA ASP 93 -6.420 7.031 3.991 745 1HB ASP 93 2HB ASP 93 -6.187 9.433 2.746 746 2HB ASP 93 1HB ASP 93 -6.631 8.410 1.379 747 H LEU 94 H LEU 94 -4.420 6.984 1.037 748 HA LEU 94 HA LEU 94 -5.879 5.044 -0.409 749 1HB LEU 94 2HB LEU 94 -2.862 5.115 -0.381 750 2HB LEU 94 1HB LEU 94 -3.937 4.751 -1.730 751 HG LEU 94 HG LEU 94 -3.391 7.432 -0.451 752 1HD1 LEU 94 1HD1 LEU 94 -2.251 6.170 -2.596 753 2HD1 LEU 94 2HD1 LEU 94 -2.331 7.921 -2.401 754 3HD1 LEU 94 3HD1 LEU 94 -3.540 7.086 -3.377 755 1HD2 LEU 94 1HD2 LEU 94 -5.641 7.786 -0.715 756 2HD2 LEU 94 2HD2 LEU 94 -5.821 6.442 -1.843 757 3HD2 LEU 94 3HD2 LEU 94 -5.194 7.990 -2.408 758 H ILE 95 H ILE 95 -3.292 4.592 2.004 759 HA ILE 95 HA ILE 95 -3.262 1.722 1.837 760 HB ILE 95 HB ILE 95 -2.647 3.246 4.366 761 1HG1 ILE 95 2HG1 ILE 95 -1.571 4.606 2.728 762 2HG1 ILE 95 1HG1 ILE 95 -0.317 3.519 3.323 763 1HG2 ILE 95 1HG2 ILE 95 -0.640 1.480 3.978 764 2HG2 ILE 95 2HG2 ILE 95 -1.928 0.654 3.103 765 3HG2 ILE 95 3HG2 ILE 95 -2.138 1.058 4.807 766 1HD1 ILE 95 1HD1 ILE 95 -0.624 2.048 1.405 767 2HD1 ILE 95 2HD1 ILE 95 -0.332 3.691 0.836 768 3HD1 ILE 95 3HD1 ILE 95 -1.967 3.033 0.829 769 H ALA 96 H ALA 96 -5.000 3.990 3.932 770 HA ALA 96 HA ALA 96 -6.212 2.260 5.742 771 1HB ALA 96 1HB ALA 96 -7.370 4.674 4.331 772 2HB ALA 96 2HB ALA 96 -6.625 4.616 5.928 773 3HB ALA 96 3HB ALA 96 -8.190 3.850 5.658 774 H TYR 97 H TYR 97 -7.189 2.853 2.370 775 HA TYR 97 HA TYR 97 -9.526 1.165 2.559 776 1HB TYR 97 2HB TYR 97 -9.527 2.827 0.828 777 2HB TYR 97 1HB TYR 97 -7.972 2.267 0.208 778 HD1 TYR 97 HD1 TYR 97 -8.148 1.128 -1.811 779 HD2 TYR 97 HD2 TYR 97 -11.215 0.627 1.153 780 HE1 TYR 97 HE1 TYR 97 -9.305 -0.501 -3.280 781 HE2 TYR 97 HE2 TYR 97 -12.376 -0.994 -0.319 782 HH TYR 97 HH TYR 97 -10.930 -2.070 -3.364 783 H LEU 98 H LEU 98 -6.251 0.729 1.228 784 HA LEU 98 HA LEU 98 -6.714 -2.015 0.462 785 1HB LEU 98 2HB LEU 98 -4.488 -0.111 0.440 786 2HB LEU 98 1HB LEU 98 -3.969 -1.752 0.817 787 HG LEU 98 HG LEU 98 -3.888 -1.545 -1.571 788 1HD1 LEU 98 1HD1 LEU 98 -5.550 -3.384 -0.264 789 2HD1 LEU 98 2HD1 LEU 98 -4.884 -3.540 -1.890 790 3HD1 LEU 98 3HD1 LEU 98 -6.486 -2.841 -1.656 791 1HD2 LEU 98 1HD2 LEU 98 -5.210 -0.084 -2.659 792 2HD2 LEU 98 2HD2 LEU 98 -6.053 0.252 -1.147 793 3HD2 LEU 98 3HD2 LEU 98 -6.638 -1.021 -2.221 794 H LYS 99 H LYS 99 -6.472 -0.623 3.482 795 HA LYS 99 HA LYS 99 -5.033 -2.863 4.721 796 1HB LYS 99 2HB LYS 99 -5.205 -0.217 5.381 797 2HB LYS 99 1HB LYS 99 -6.405 -0.922 6.465 798 1HG LYS 99 2HG LYS 99 -4.083 -2.612 6.429 799 2HG LYS 99 1HG LYS 99 -3.577 -0.953 6.752 800 1HD LYS 99 2HD LYS 99 -5.690 -1.015 8.380 801 2HD LYS 99 1HD LYS 99 -5.341 -2.744 8.364 802 1HE LYS 99 2HE LYS 99 -2.885 -1.249 8.643 803 2HE LYS 99 1HE LYS 99 -4.035 -0.757 9.888 804 1HZ LYS 99 1HZ LYS 99 -4.063 -2.810 10.813 805 2HZ LYS 99 2HZ LYS 99 -2.492 -2.859 10.168 806 3HZ LYS 99 3HZ LYS 99 -3.774 -3.614 9.347 807 H LYS 100 H LYS 100 -8.294 -1.421 4.808 808 HA LYS 100 HA LYS 100 -9.330 -3.601 6.457 809 1HB LYS 100 2HB LYS 100 -10.321 -1.367 6.623 810 2HB LYS 100 1HB LYS 100 -10.747 -1.408 4.913 811 1HG LYS 100 2HG LYS 100 -11.701 -3.630 6.685 812 2HG LYS 100 1HG LYS 100 -12.533 -2.075 6.750 813 1HD LYS 100 2HD LYS 100 -12.465 -2.306 4.107 814 2HD LYS 100 1HD LYS 100 -12.333 -4.023 4.486 815 1HE LYS 100 2HE LYS 100 -14.341 -3.083 6.193 816 2HE LYS 100 1HE LYS 100 -14.656 -2.284 4.653 817 1HZ LYS 100 1HZ LYS 100 -15.610 -4.195 4.076 818 2HZ LYS 100 2HZ LYS 100 -14.910 -5.054 5.363 819 3HZ LYS 100 3HZ LYS 100 -14.039 -4.816 3.923 820 H ALA 101 H ALA 101 -9.264 -2.770 3.033 821 HA ALA 101 HA ALA 101 -11.162 -4.748 2.192 822 1HB ALA 101 1HB ALA 101 -10.889 -3.376 0.410 823 2HB ALA 101 2HB ALA 101 -9.506 -4.401 0.024 824 3HB ALA 101 3HB ALA 101 -9.268 -2.900 0.917 825 H THR 102 H THR 102 -7.570 -4.759 2.048 826 HA THR 102 HA THR 102 -7.721 -7.708 1.676 827 HB THR 102 HB THR 102 -5.264 -7.416 1.075 828 HG1 THR 102 HG1 THR 102 -4.534 -5.526 1.592 829 1HG2 THR 102 1HG2 THR 102 -5.784 -6.835 -1.154 830 2HG2 THR 102 2HG2 THR 102 -7.075 -5.743 -0.657 831 3HG2 THR 102 3HG2 THR 102 -7.295 -7.488 -0.519 832 H ASN 103 H ASN 103 -6.227 -5.243 3.774 833 HA ASN 103 HA ASN 103 -4.918 -7.309 5.372 834 1HB ASN 103 2HB ASN 103 -4.236 -4.755 4.901 835 2HB ASN 103 1HB ASN 103 -5.136 -4.528 6.400 836 1HD2 ASN 103 1HD2 ASN 103 -3.003 -4.004 7.438 837 2HD2 ASN 103 2HD2 ASN 103 -1.968 -5.270 7.892 838 H GLU 104 HN GLU 104 -7.987 -6.967 5.148 839 HA GLU 104 HA GLU 104 -8.495 -7.571 7.963 840 1HB GLU 104 2HB GLU 104 -8.554 -4.984 7.647 841 2HB GLU 104 1HB GLU 104 -10.084 -5.283 6.819 842 1HG GLU 104 2HG GLU 104 -10.649 -6.722 8.931 843 2HG GLU 104 1HG GLU 104 -9.366 -5.785 9.695 844 HHA HEC 105 HHA HEC 105 4.073 -2.773 -9.255 845 HHB HEC 105 HHB HEC 105 0.990 0.925 -5.176 846 HHC HEC 105 HHC HEC 105 -2.153 3.615 -9.961 847 HHD HEC 105 HHD HEC 105 0.759 -0.249 -14.023 848 1HMA HEC 105 1HMA HEC 105 3.791 -1.490 -4.269 849 2HMA HEC 105 2HMA HEC 105 2.043 -1.363 -4.073 850 3HMA HEC 105 3HMA HEC 105 3.025 0.097 -4.197 851 1HAA HEC 105 1HAA HEC 105 4.596 -2.773 -5.536 852 2HAA HEC 105 2HAA HEC 105 5.372 -2.432 -7.069 853 1HBA HEC 105 1HBA HEC 105 4.915 -4.581 -7.578 854 2HBA HEC 105 2HBA HEC 105 3.255 -4.035 -7.806 855 1HMB HEC 105 1HMB HEC 105 -0.679 1.918 -4.383 856 2HMB HEC 105 2HMB HEC 105 -2.023 2.998 -4.753 857 3HMB HEC 105 3HMB HEC 105 -0.387 3.639 -4.624 858 HAB HEC 105 HAB HEC 105 -2.609 4.688 -8.260 859 1HBB HEC 105 1HBB HEC 105 -2.233 5.006 -5.328 860 2HBB HEC 105 2HBB HEC 105 -2.680 6.203 -6.545 861 3HBB HEC 105 3HBB HEC 105 -1.030 5.579 -6.485 862 1HMC HEC 105 1HMC HEC 105 -2.087 4.524 -12.680 863 2HMC HEC 105 2HMC HEC 105 -2.954 3.338 -13.657 864 3HMC HEC 105 3HMC HEC 105 -3.335 3.517 -11.943 865 HAC HEC 105 HAC HEC 105 -0.285 1.140 -15.149 866 1HBC HEC 105 1HBC HEC 105 -2.361 2.942 -15.780 867 2HBC HEC 105 2HBC HEC 105 -0.637 3.043 -16.135 868 3HBC HEC 105 3HBC HEC 105 -1.267 3.710 -14.629 869 1HMD HEC 105 1HMD HEC 105 2.183 -1.376 -14.834 870 2HMD HEC 105 2HMD HEC 105 3.738 -2.149 -14.528 871 3HMD HEC 105 3HMD HEC 105 2.255 -3.102 -14.474 872 1HAD HEC 105 1HAD HEC 105 4.061 -4.189 -11.068 873 2HAD HEC 105 2HAD HEC 105 4.024 -4.068 -12.820 874 1HBD HEC 105 1HBD HEC 105 6.219 -3.599 -11.144 875 2HBD HEC 105 2HBD HEC 105 5.711 -2.007 -11.699 Start of MODEL 17 1 1H GLY 1 1HT GLY 1 -11.697 11.404 6.277 2 2H GLY 1 2HT GLY 1 -10.004 11.542 6.331 3 3H GLY 1 3HT GLY 1 -10.853 10.933 7.671 4 1HA GLY 1 1HA GLY 1 -10.551 9.639 5.016 5 2HA GLY 1 2HA GLY 1 -9.839 9.103 6.540 6 H ASP 2 H ASP 2 -12.407 8.595 4.478 7 HA ASP 2 HA ASP 2 -14.017 7.408 6.702 8 1HB ASP 2 2HB ASP 2 -14.849 9.474 5.084 9 2HB ASP 2 1HB ASP 2 -15.493 8.065 4.244 10 H VAL 3 H VAL 3 -15.528 5.637 5.764 11 HA VAL 3 HA VAL 3 -13.836 3.735 4.336 12 HB VAL 3 HB VAL 3 -16.727 3.535 5.233 13 1HG1 VAL 3 1HG1 VAL 3 -15.757 1.972 3.362 14 2HG1 VAL 3 2HG1 VAL 3 -16.649 1.257 4.705 15 3HG1 VAL 3 3HG1 VAL 3 -14.886 1.218 4.697 16 1HG2 VAL 3 1HG2 VAL 3 -15.964 2.786 7.267 17 2HG2 VAL 3 2HG2 VAL 3 -14.587 3.809 6.857 18 3HG2 VAL 3 3HG2 VAL 3 -14.508 2.070 6.574 19 H GLU 4 H GLU 4 -16.994 5.280 3.658 20 HA GLU 4 HA GLU 4 -17.286 4.196 1.033 21 1HB GLU 4 2HB GLU 4 -18.370 6.696 2.347 22 2HB GLU 4 1HB GLU 4 -18.798 6.237 0.698 23 1HG GLU 4 2HG GLU 4 -20.456 5.033 1.677 24 2HG GLU 4 1HG GLU 4 -19.176 3.876 2.048 25 H LYS 5 H LYS 5 -15.854 7.260 2.156 26 HA LYS 5 HA LYS 5 -15.181 8.177 -0.503 27 1HB LYS 5 2HB LYS 5 -14.990 9.161 2.184 28 2HB LYS 5 1HB LYS 5 -13.412 9.322 1.413 29 1HG LYS 5 2HG LYS 5 -14.949 10.192 -0.613 30 2HG LYS 5 1HG LYS 5 -15.997 10.638 0.734 31 1HD LYS 5 2HD LYS 5 -13.675 11.541 1.725 32 2HD LYS 5 1HD LYS 5 -13.298 11.677 0.007 33 1HE LYS 5 2HE LYS 5 -15.951 12.653 0.394 34 2HE LYS 5 1HE LYS 5 -14.916 13.415 1.600 35 1HZ LYS 5 1HZ LYS 5 -14.726 13.512 -1.334 36 2HZ LYS 5 2HZ LYS 5 -13.330 13.733 -0.392 37 3HZ LYS 5 3HZ LYS 5 -14.654 14.783 -0.213 38 H GLY 6 H GLY 6 -13.523 6.241 1.937 39 1HA GLY 6 1HA GLY 6 -10.901 6.359 0.801 40 2HA GLY 6 2HA GLY 6 -11.497 5.063 1.838 41 H LYS 7 H LYS 7 -13.384 3.790 0.478 42 HA LYS 7 HA LYS 7 -12.040 2.253 -1.464 43 1HB LYS 7 2HB LYS 7 -14.238 1.730 -0.229 44 2HB LYS 7 1HB LYS 7 -15.031 2.670 -1.496 45 1HG LYS 7 2HG LYS 7 -13.780 1.182 -3.169 46 2HG LYS 7 1HG LYS 7 -13.413 0.135 -1.797 47 1HD LYS 7 2HD LYS 7 -16.198 0.798 -1.706 48 2HD LYS 7 1HD LYS 7 -15.813 0.230 -3.332 49 1HE LYS 7 2HE LYS 7 -14.932 -1.832 -2.509 50 2HE LYS 7 1HE LYS 7 -14.913 -1.241 -0.847 51 1HZ LYS 7 1HZ LYS 7 -17.466 -1.263 -2.277 52 2HZ LYS 7 2HZ LYS 7 -17.147 -1.496 -0.624 53 3HZ LYS 7 3HZ LYS 7 -16.850 -2.747 -1.736 54 H LYS 8 H LYS 8 -13.733 5.293 -1.793 55 HA LYS 8 HA LYS 8 -13.998 5.167 -4.679 56 1HB LYS 8 2HB LYS 8 -14.600 7.071 -2.542 57 2HB LYS 8 1HB LYS 8 -13.945 7.864 -3.977 58 1HG LYS 8 2HG LYS 8 -15.742 7.293 -5.282 59 2HG LYS 8 1HG LYS 8 -15.991 5.759 -4.448 60 1HD LYS 8 2HD LYS 8 -16.451 7.940 -2.619 61 2HD LYS 8 1HD LYS 8 -17.428 8.166 -4.069 62 1HE LYS 8 2HE LYS 8 -17.767 5.493 -3.636 63 2HE LYS 8 1HE LYS 8 -17.612 6.082 -1.980 64 1HZ LYS 8 1HZ LYS 8 -19.381 7.595 -2.310 65 2HZ LYS 8 2HZ LYS 8 -19.917 6.093 -2.894 66 3HZ LYS 8 3HZ LYS 8 -19.428 7.304 -3.980 67 H ILE 9 H ILE 9 -11.591 6.409 -2.404 68 HA ILE 9 HA ILE 9 -9.975 7.841 -4.250 69 HB ILE 9 HB ILE 9 -9.136 6.237 -1.813 70 1HG1 ILE 9 2HG1 ILE 9 -10.816 8.031 -1.389 71 2HG1 ILE 9 1HG1 ILE 9 -9.254 8.389 -0.649 72 1HG2 ILE 9 1HG2 ILE 9 -7.561 7.462 -3.818 73 2HG2 ILE 9 2HG2 ILE 9 -7.017 6.859 -2.252 74 3HG2 ILE 9 3HG2 ILE 9 -7.510 8.543 -2.426 75 1HD1 ILE 9 1HD1 ILE 9 -9.093 9.438 -3.254 76 2HD1 ILE 9 2HD1 ILE 9 -9.268 10.351 -1.755 77 3HD1 ILE 9 3HD1 ILE 9 -10.699 9.880 -2.673 78 H PHE 10 H PHE 10 -9.493 4.481 -3.070 79 HA PHE 10 HA PHE 10 -7.504 3.802 -4.988 80 1HB PHE 10 2HB PHE 10 -8.220 2.469 -2.914 81 2HB PHE 10 1HB PHE 10 -9.540 1.847 -3.903 82 HD1 PHE 10 HD1 PHE 10 -9.067 0.492 -5.932 83 HD2 PHE 10 HD2 PHE 10 -5.937 1.777 -3.287 84 HE1 PHE 10 HE1 PHE 10 -7.522 -1.163 -6.951 85 HE2 PHE 10 HE2 PHE 10 -4.395 0.123 -4.308 86 HZ PHE 10 HZ PHE 10 -5.193 -1.348 -6.142 87 H ILE 11 H ILE 11 -11.047 3.536 -5.116 88 HA ILE 11 HA ILE 11 -11.286 2.163 -7.561 89 HB ILE 11 HB ILE 11 -13.061 3.300 -5.800 90 1HG1 ILE 11 2HG1 ILE 11 -14.398 2.737 -8.291 91 2HG1 ILE 11 1HG1 ILE 11 -13.085 1.585 -8.042 92 1HG2 ILE 11 1HG2 ILE 11 -14.280 5.043 -6.755 93 2HG2 ILE 11 2HG2 ILE 11 -13.697 4.693 -8.382 94 3HG2 ILE 11 3HG2 ILE 11 -12.635 5.479 -7.216 95 1HD1 ILE 11 1HD1 ILE 11 -14.319 0.502 -6.507 96 2HD1 ILE 11 2HD1 ILE 11 -15.637 1.645 -6.762 97 3HD1 ILE 11 3HD1 ILE 11 -14.410 1.972 -5.538 98 H MET 12 H MET 12 -10.455 5.519 -6.920 99 HA MET 12 HA MET 12 -10.286 5.955 -9.880 100 1HB MET 12 2HB MET 12 -11.837 7.425 -8.443 101 2HB MET 12 1HB MET 12 -10.357 8.150 -7.814 102 1HG MET 12 2HG MET 12 -9.885 9.217 -9.778 103 2HG MET 12 1HG MET 12 -10.497 7.889 -10.763 104 1HE MET 12 1HE MET 12 -11.068 9.401 -12.233 105 2HE MET 12 2HE MET 12 -12.188 10.756 -12.126 106 3HE MET 12 3HE MET 12 -12.802 9.139 -12.461 107 H LYS 13 H LYS 13 -8.265 5.104 -7.471 108 HA LYS 13 HA LYS 13 -6.099 6.918 -8.458 109 1HB LYS 13 2HB LYS 13 -6.870 6.551 -5.851 110 2HB LYS 13 1HB LYS 13 -5.547 5.396 -6.000 111 1HG LYS 13 2HG LYS 13 -4.156 7.148 -5.690 112 2HG LYS 13 1HG LYS 13 -4.598 7.653 -7.322 113 1HD LYS 13 2HD LYS 13 -6.163 8.430 -4.845 114 2HD LYS 13 1HD LYS 13 -4.912 9.442 -5.570 115 1HE LYS 13 2HE LYS 13 -6.191 9.941 -7.421 116 2HE LYS 13 1HE LYS 13 -7.054 8.404 -7.371 117 1HZ LYS 13 1HZ LYS 13 -8.701 9.562 -6.454 118 2HZ LYS 13 2HZ LYS 13 -7.713 10.909 -6.144 119 3HZ LYS 13 3HZ LYS 13 -7.758 9.615 -5.045 120 H CYS 14 H CYS 14 -6.377 3.611 -7.050 121 HA CYS 14 HA CYS 14 -4.517 2.732 -9.222 122 1HB CYS 14 2HB CYS 14 -4.327 1.111 -6.791 123 2HB CYS 14 1HB CYS 14 -3.041 1.826 -7.755 124 H SER 15 H SER 15 -7.527 2.582 -8.852 125 HA SER 15 HA SER 15 -7.973 -0.317 -8.523 126 1HB SER 15 2HB SER 15 -9.633 1.293 -7.644 127 2HB SER 15 1HB SER 15 -9.906 1.893 -9.277 128 HG SER 15 HG SER 15 -11.402 0.238 -8.517 129 H GLN 16 H GLN 16 -6.778 1.491 -10.961 130 HA GLN 16 HA GLN 16 -8.244 0.067 -13.116 131 1HB GLN 16 2HB GLN 16 -6.183 2.291 -13.277 132 2HB GLN 16 1HB GLN 16 -7.115 1.642 -14.623 133 1HG GLN 16 2HG GLN 16 -8.327 2.950 -12.173 134 2HG GLN 16 1HG GLN 16 -8.083 3.760 -13.721 135 1HE2 GLN 16 1HE2 GLN 16 -9.113 2.469 -15.669 136 2HE2 GLN 16 2HE2 GLN 16 -10.639 1.784 -15.379 137 H CYS 17 H CYS 17 -4.884 0.859 -12.177 138 HA CYS 17 HA CYS 17 -3.853 -1.343 -13.807 139 1HB CYS 17 2HB CYS 17 -2.601 0.704 -11.972 140 2HB CYS 17 1HB CYS 17 -1.660 -0.648 -12.603 141 H HIS 18 H HIS 18 -4.808 -0.810 -10.482 142 HA HIS 18 HA HIS 18 -3.846 -3.576 -9.840 143 1HB HIS 18 2HB HIS 18 -4.245 -1.238 -7.956 144 2HB HIS 18 1HB HIS 18 -3.850 -2.878 -7.454 145 HD1 HIS 18 HD1 HIS 18 -1.431 -3.608 -7.631 146 HD2 HIS 18 HD2 HIS 18 -2.154 0.059 -9.454 147 HE1 HIS 18 HE1 HIS 18 0.837 -2.638 -8.207 148 H THR 19 H THR 19 -5.844 -4.520 -10.539 149 HA THR 19 HA THR 19 -8.357 -3.580 -9.378 150 HB THR 19 HB THR 19 -9.334 -5.569 -10.469 151 HG1 THR 19 HG1 THR 19 -8.053 -7.209 -10.624 152 1HG2 THR 19 1HG2 THR 19 -7.998 -5.064 -12.809 153 2HG2 THR 19 2HG2 THR 19 -7.618 -3.623 -11.866 154 3HG2 THR 19 3HG2 THR 19 -9.299 -4.062 -12.168 155 H VAL 20 H VAL 20 -7.732 -3.684 -7.115 156 HA VAL 20 HA VAL 20 -6.992 -6.251 -5.935 157 HB VAL 20 HB VAL 20 -6.917 -5.059 -3.855 158 1HG1 VAL 20 1HG1 VAL 20 -5.159 -4.490 -5.533 159 2HG1 VAL 20 2HG1 VAL 20 -5.481 -3.173 -4.405 160 3HG1 VAL 20 3HG1 VAL 20 -6.136 -3.112 -6.042 161 1HG2 VAL 20 1HG2 VAL 20 -8.959 -3.413 -5.194 162 2HG2 VAL 20 2HG2 VAL 20 -7.770 -2.469 -4.296 163 3HG2 VAL 20 3HG2 VAL 20 -8.713 -3.712 -3.473 164 H GLU 21 H GLU 21 -9.536 -6.302 -7.347 165 HA GLU 21 HA GLU 21 -11.166 -7.468 -5.232 166 1HB GLU 21 2HB GLU 21 -11.831 -4.815 -6.446 167 2HB GLU 21 1HB GLU 21 -13.155 -5.938 -6.133 168 1HG GLU 21 2HG GLU 21 -11.487 -5.993 -3.841 169 2HG GLU 21 1HG GLU 21 -11.719 -4.295 -4.259 170 H LYS 22 H LYS 22 -9.883 -7.982 -7.978 171 HA LYS 22 HA LYS 22 -12.318 -8.745 -9.506 172 1HB LYS 22 2HB LYS 22 -10.310 -7.484 -10.550 173 2HB LYS 22 1HB LYS 22 -9.473 -9.035 -10.472 174 1HG LYS 22 2HG LYS 22 -10.449 -9.034 -12.623 175 2HG LYS 22 1HG LYS 22 -11.566 -9.997 -11.655 176 1HD LYS 22 2HD LYS 22 -13.117 -8.574 -12.559 177 2HD LYS 22 1HD LYS 22 -12.605 -7.536 -11.229 178 1HE LYS 22 2HE LYS 22 -10.803 -7.269 -13.484 179 2HE LYS 22 1HE LYS 22 -12.467 -6.941 -13.971 180 1HZ LYS 22 1HZ LYS 22 -12.467 -5.043 -12.850 181 2HZ LYS 22 2HZ LYS 22 -10.789 -5.227 -12.654 182 3HZ LYS 22 3HZ LYS 22 -11.853 -5.772 -11.446 183 H GLY 23 H GLY 23 -9.116 -10.317 -9.171 184 1HA GLY 23 2HA GLY 23 -9.833 -12.545 -7.657 185 2HA GLY 23 1HA GLY 23 -10.317 -12.951 -9.303 186 H GLY 24 H GLY 24 -7.471 -11.309 -7.852 187 1HA GLY 24 1HA GLY 24 -5.182 -11.767 -8.110 188 2HA GLY 24 2HA GLY 24 -5.643 -13.407 -8.563 189 H LYS 25 H LYS 25 -7.086 -10.873 -10.399 190 HA LYS 25 HA LYS 25 -5.391 -11.650 -12.720 191 1HB LYS 25 2HB LYS 25 -8.033 -11.621 -12.642 192 2HB LYS 25 1HB LYS 25 -7.816 -9.896 -12.938 193 1HG LYS 25 2HG LYS 25 -6.229 -10.632 -14.850 194 2HG LYS 25 1HG LYS 25 -6.983 -12.217 -14.673 195 1HD LYS 25 2HD LYS 25 -8.665 -9.732 -14.963 196 2HD LYS 25 1HD LYS 25 -8.025 -10.564 -16.382 197 1HE LYS 25 2HE LYS 25 -9.045 -12.700 -15.435 198 2HE LYS 25 1HE LYS 25 -9.886 -11.676 -14.270 199 1HZ LYS 25 1HZ LYS 25 -11.420 -11.382 -15.824 200 2HZ LYS 25 2HZ LYS 25 -10.474 -12.141 -17.015 201 3HZ LYS 25 3HZ LYS 25 -10.287 -10.479 -16.707 202 H HIS 26 H HIS 26 -3.970 -10.184 -13.606 203 HA HIS 26 HA HIS 26 -4.242 -7.345 -12.727 204 1HB HIS 26 2HB HIS 26 -1.576 -7.498 -13.118 205 2HB HIS 26 1HB HIS 26 -2.332 -7.747 -11.554 206 HD1 HIS 26 HD1 HIS 26 -2.281 -10.226 -14.433 207 HD2 HIS 26 HD2 HIS 26 -0.681 -9.804 -10.602 208 HE1 HIS 26 HE1 HIS 26 -1.156 -12.425 -13.879 209 H LYS 27 H LYS 27 -5.030 -6.476 -14.599 210 HA LYS 27 HA LYS 27 -4.146 -7.267 -17.227 211 1HB LYS 27 2HB LYS 27 -5.745 -4.949 -16.146 212 2HB LYS 27 1HB LYS 27 -5.252 -4.990 -17.839 213 1HG LYS 27 2HG LYS 27 -6.323 -7.559 -17.067 214 2HG LYS 27 1HG LYS 27 -7.481 -6.283 -16.685 215 1HD LYS 27 2HD LYS 27 -6.952 -5.390 -19.068 216 2HD LYS 27 1HD LYS 27 -6.285 -6.997 -19.357 217 1HE LYS 27 2HE LYS 27 -8.688 -7.587 -18.152 218 2HE LYS 27 1HE LYS 27 -9.092 -6.154 -19.099 219 1HZ LYS 27 1HZ LYS 27 -7.489 -8.256 -20.362 220 2HZ LYS 27 2HZ LYS 27 -8.617 -7.190 -21.054 221 3HZ LYS 27 3HZ LYS 27 -9.151 -8.531 -20.157 222 H THR 28 H THR 28 -3.720 -4.157 -15.515 223 HA THR 28 HA THR 28 -1.152 -3.801 -16.995 224 HB THR 28 HB THR 28 -2.983 -1.831 -15.594 225 HG1 THR 28 HG1 THR 28 -3.029 -0.978 -17.740 226 1HG2 THR 28 1HG2 THR 28 -0.184 -1.523 -16.677 227 2HG2 THR 28 2HG2 THR 28 -0.818 -1.014 -15.112 228 3HG2 THR 28 3HG2 THR 28 -1.289 -0.151 -16.577 229 H GLY 29 H GLY 29 -2.273 -2.507 -13.870 230 1HA GLY 29 2HA GLY 29 0.322 -2.906 -12.652 231 2HA GLY 29 1HA GLY 29 -1.141 -2.409 -11.811 232 HA PRO 30 HA PRO 30 -0.083 -7.022 -11.178 233 1HB PRO 30 2HB PRO 30 1.121 -6.808 -8.710 234 2HB PRO 30 1HB PRO 30 2.006 -6.847 -10.246 235 1HG PRO 30 2HG PRO 30 1.363 -4.490 -8.502 236 2HG PRO 30 1HG PRO 30 2.800 -4.793 -9.497 237 1HD PRO 30 2HD PRO 30 0.742 -3.106 -10.267 238 2HD PRO 30 1HD PRO 30 1.824 -3.937 -11.400 239 H ASN 31 H ASN 31 -1.541 -8.264 -9.996 240 HA ASN 31 HA ASN 31 -3.842 -7.053 -8.869 241 1HB ASN 31 2HB ASN 31 -4.030 -9.297 -9.654 242 2HB ASN 31 1HB ASN 31 -2.694 -9.841 -8.639 243 1HD2 ASN 31 1HD2 ASN 31 -5.798 -8.058 -8.089 244 2HD2 ASN 31 2HD2 ASN 31 -6.253 -8.982 -6.740 245 H LEU 32 H LEU 32 -3.422 -5.610 -7.199 246 HA LEU 32 HA LEU 32 -1.682 -6.342 -4.982 247 1HB LEU 32 2HB LEU 32 -3.060 -3.938 -5.935 248 2HB LEU 32 1HB LEU 32 -3.089 -4.099 -4.180 249 HG LEU 32 HG LEU 32 -0.749 -4.042 -4.008 250 1HD1 LEU 32 1HD1 LEU 32 0.251 -5.540 -5.408 251 2HD1 LEU 32 2HD1 LEU 32 0.475 -4.131 -6.444 252 3HD1 LEU 32 3HD1 LEU 32 -0.886 -5.220 -6.718 253 1HD2 LEU 32 1HD2 LEU 32 -0.957 -1.842 -4.558 254 2HD2 LEU 32 2HD2 LEU 32 -1.916 -2.198 -5.995 255 3HD2 LEU 32 3HD2 LEU 32 -0.159 -2.317 -6.056 256 H HIS 33 H HIS 33 -3.033 -8.342 -4.518 257 HA HIS 33 HA HIS 33 -5.567 -7.740 -3.080 258 1HB HIS 33 2HB HIS 33 -5.660 -9.593 -4.670 259 2HB HIS 33 1HB HIS 33 -4.283 -10.368 -3.888 260 HD1 HIS 33 HD1 HIS 33 -4.706 -10.997 -1.253 261 HD2 HIS 33 HD2 HIS 33 -8.101 -10.318 -3.576 262 HE1 HIS 33 HE1 HIS 33 -6.656 -11.994 0.021 263 H GLY 34 H GLY 34 -2.736 -9.861 -2.503 264 1HA GLY 34 2HA GLY 34 -3.006 -9.219 0.404 265 2HA GLY 34 1HA GLY 34 -2.297 -10.710 -0.222 266 H LEU 35 H LEU 35 -1.618 -7.619 -1.702 267 HA LEU 35 HA LEU 35 1.161 -7.877 -1.744 268 1HB LEU 35 2HB LEU 35 -0.145 -6.122 -2.950 269 2HB LEU 35 1HB LEU 35 -0.351 -5.270 -1.418 270 HG LEU 35 HG LEU 35 2.120 -5.141 -1.183 271 1HD1 LEU 35 1HD1 LEU 35 3.292 -5.594 -3.516 272 2HD1 LEU 35 2HD1 LEU 35 1.943 -6.709 -3.732 273 3HD1 LEU 35 3HD1 LEU 35 3.045 -6.911 -2.370 274 1HD2 LEU 35 1HD2 LEU 35 0.509 -3.544 -2.657 275 2HD2 LEU 35 2HD2 LEU 35 1.643 -4.050 -3.910 276 3HD2 LEU 35 3HD2 LEU 35 2.236 -3.237 -2.461 277 H PHE 36 H PHE 36 -0.889 -6.928 0.926 278 HA PHE 36 HA PHE 36 1.220 -5.750 2.524 279 1HB PHE 36 2HB PHE 36 -1.566 -6.745 3.096 280 2HB PHE 36 1HB PHE 36 -0.493 -6.270 4.413 281 HD1 PHE 36 HD1 PHE 36 -0.616 -4.060 5.122 282 HD2 PHE 36 HD2 PHE 36 -1.510 -4.997 1.026 283 HE1 PHE 36 HE1 PHE 36 -1.136 -1.674 4.690 284 HE2 PHE 36 HE2 PHE 36 -2.031 -2.610 0.594 285 HZ PHE 36 HZ PHE 36 -1.843 -0.949 2.426 286 H GLY 37 H GLY 37 2.715 -6.777 3.773 287 1HA GLY 37 2HA GLY 37 3.764 -8.491 5.000 288 2HA GLY 37 1HA GLY 37 2.246 -9.388 4.948 289 H ARG 38 H ARG 38 3.355 -8.329 1.884 290 HA ARG 38 HA ARG 38 4.675 -10.959 1.387 291 1HB ARG 38 2HB ARG 38 2.143 -10.612 0.608 292 2HB ARG 38 1HB ARG 38 2.933 -9.810 -0.750 293 1HG ARG 38 2HG ARG 38 4.407 -11.871 -0.962 294 2HG ARG 38 1HG ARG 38 3.333 -12.659 0.196 295 1HD ARG 38 2HD ARG 38 2.864 -12.925 -2.372 296 2HD ARG 38 1HD ARG 38 1.514 -12.634 -1.273 297 HE ARG 38 HE ARG 38 1.172 -10.609 -2.408 298 1HH1 ARG 38 1HH2 ARG 38 4.345 -11.824 -2.950 299 2HH1 ARG 38 2HH2 ARG 38 4.873 -10.429 -3.830 300 1HH2 ARG 38 1HH1 ARG 38 1.888 -8.715 -3.432 301 2HH2 ARG 38 2HH1 ARG 38 3.483 -8.671 -4.105 302 H LYS 39 H LYS 39 6.601 -10.686 0.382 303 HA LYS 39 HA LYS 39 7.624 -8.113 -0.312 304 1HB LYS 39 2HB LYS 39 8.499 -10.941 -0.680 305 2HB LYS 39 1HB LYS 39 9.266 -9.723 -1.701 306 1HG LYS 39 2HG LYS 39 10.331 -8.721 0.061 307 2HG LYS 39 1HG LYS 39 8.999 -9.034 1.175 308 1HD LYS 39 2HD LYS 39 10.446 -10.589 2.026 309 2HD LYS 39 1HD LYS 39 9.818 -11.574 0.704 310 1HE LYS 39 2HE LYS 39 11.676 -10.953 -0.723 311 2HE LYS 39 1HE LYS 39 12.262 -9.798 0.474 312 1HZ LYS 39 1HZ LYS 39 11.901 -12.446 1.523 313 2HZ LYS 39 2HZ LYS 39 13.236 -11.403 1.647 314 3HZ LYS 39 3HZ LYS 39 13.045 -12.381 0.271 315 H THR 40 H THR 40 8.765 -8.306 -2.820 316 HA THR 40 HA THR 40 6.354 -8.092 -4.547 317 HB THR 40 HB THR 40 7.412 -6.374 -5.568 318 HG1 THR 40 HG1 THR 40 9.206 -6.716 -6.687 319 1HG2 THR 40 1HG2 THR 40 8.173 -6.142 -3.124 320 2HG2 THR 40 2HG2 THR 40 9.091 -5.242 -4.332 321 3HG2 THR 40 3HG2 THR 40 9.735 -6.747 -3.677 322 H GLY 41 H GLY 41 7.062 -8.647 -7.007 323 1HA GLY 41 2HA GLY 41 7.440 -10.404 -8.510 324 2HA GLY 41 1HA GLY 41 8.874 -10.743 -7.545 325 H GLN 42 H GLN 42 5.596 -11.710 -8.216 326 HA GLN 42 HA GLN 42 6.071 -14.246 -6.851 327 1HB GLN 42 2HB GLN 42 4.435 -14.118 -5.161 328 2HB GLN 42 1HB GLN 42 5.260 -12.566 -5.062 329 1HG GLN 42 2HG GLN 42 2.688 -13.058 -6.590 330 2HG GLN 42 1HG GLN 42 2.780 -12.331 -4.987 331 1HE2 GLN 42 1HE2 GLN 42 5.276 -10.809 -5.605 332 2HE2 GLN 42 2HE2 GLN 42 4.805 -9.555 -6.644 333 H ALA 43 H ALA 43 3.839 -12.135 -8.620 334 HA ALA 43 HA ALA 43 1.928 -14.166 -9.278 335 1HB ALA 43 1HB ALA 43 2.431 -12.006 -11.257 336 2HB ALA 43 2HB ALA 43 1.991 -11.488 -9.630 337 3HB ALA 43 3HB ALA 43 0.912 -12.544 -10.542 338 HA PRO 44 HA PRO 44 4.328 -16.386 -12.265 339 1HB PRO 44 2HB PRO 44 2.273 -17.949 -13.209 340 2HB PRO 44 1HB PRO 44 3.088 -18.235 -11.661 341 1HG PRO 44 2HG PRO 44 0.381 -17.101 -12.173 342 2HG PRO 44 1HG PRO 44 0.989 -17.950 -10.743 343 1HD PRO 44 2HD PRO 44 0.654 -15.144 -11.003 344 2HD PRO 44 1HD PRO 44 1.527 -15.983 -9.703 345 H GLY 45 H GLY 45 1.246 -14.853 -13.167 346 1HA GLY 45 1HA GLY 45 2.149 -14.753 -16.005 347 2HA GLY 45 2HA GLY 45 0.497 -14.473 -15.457 348 H TYR 46 H TYR 46 3.620 -13.088 -14.402 349 HA TYR 46 HA TYR 46 2.933 -10.455 -15.493 350 1HB TYR 46 2HB TYR 46 1.682 -10.805 -13.215 351 2HB TYR 46 1HB TYR 46 3.282 -10.611 -12.506 352 HD1 TYR 46 HD1 TYR 46 0.492 -8.838 -12.784 353 HD2 TYR 46 HD2 TYR 46 4.532 -8.524 -14.169 354 HE1 TYR 46 HE1 TYR 46 0.244 -6.384 -12.946 355 HE2 TYR 46 HE2 TYR 46 4.288 -6.072 -14.335 356 HH TYR 46 HH TYR 46 1.387 -4.434 -13.177 357 H SER 47 H SER 47 4.860 -9.507 -16.016 358 HA SER 47 HA SER 47 7.349 -10.668 -14.929 359 1HB SER 47 2HB SER 47 6.605 -8.933 -17.223 360 2HB SER 47 1HB SER 47 8.165 -8.584 -16.484 361 HG SER 47 HG SER 47 7.288 -10.821 -17.879 362 H TYR 48 H TYR 48 6.040 -9.630 -12.860 363 HA TYR 48 HA TYR 48 5.860 -7.084 -12.050 364 1HB TYR 48 2HB TYR 48 7.048 -9.467 -10.695 365 2HB TYR 48 1HB TYR 48 7.213 -7.904 -9.903 366 HD1 TYR 48 HD1 TYR 48 4.385 -9.187 -12.006 367 HD2 TYR 48 HD2 TYR 48 5.703 -7.991 -8.110 368 HE1 TYR 48 HE1 TYR 48 2.055 -9.364 -11.151 369 HE2 TYR 48 HE2 TYR 48 3.391 -8.175 -7.257 370 HH TYR 48 HH TYR 48 0.685 -8.766 -9.417 371 H THR 49 H THR 49 7.240 -5.377 -11.364 372 HA THR 49 HA THR 49 9.602 -4.965 -12.879 373 HB THR 49 HB THR 49 10.031 -3.231 -10.912 374 HG1 THR 49 HG1 THR 49 7.849 -2.773 -10.052 375 1HG2 THR 49 1HG2 THR 49 9.413 -2.270 -12.926 376 2HG2 THR 49 2HG2 THR 49 7.983 -1.908 -11.958 377 3HG2 THR 49 3HG2 THR 49 7.968 -3.270 -13.079 378 H ALA 50 H ALA 50 10.945 -6.787 -12.618 379 HA ALA 50 HA ALA 50 11.779 -8.198 -10.439 380 1HB ALA 50 1HB ALA 50 14.200 -7.497 -11.727 381 2HB ALA 50 2HB ALA 50 12.951 -7.479 -12.972 382 3HB ALA 50 3HB ALA 50 13.217 -8.934 -12.009 383 H ALA 51 H ALA 51 12.674 -4.875 -11.185 384 HA ALA 51 HA ALA 51 14.723 -4.508 -9.279 385 1HB ALA 51 1HB ALA 51 14.140 -2.813 -10.962 386 2HB ALA 51 2HB ALA 51 14.107 -2.117 -9.344 387 3HB ALA 51 3HB ALA 51 12.598 -2.535 -10.156 388 H ASN 52 H ASN 52 11.286 -3.509 -8.787 389 HA ASN 52 HA ASN 52 11.234 -2.918 -6.132 390 1HB ASN 52 2HB ASN 52 9.263 -4.806 -7.464 391 2HB ASN 52 1HB ASN 52 8.969 -3.884 -5.995 392 1HD2 ASN 52 1HD2 ASN 52 7.604 -2.161 -6.503 393 2HD2 ASN 52 2HD2 ASN 52 7.743 -1.187 -7.884 394 H LYS 53 H LYS 53 11.426 -6.224 -7.433 395 HA LYS 53 HA LYS 53 11.298 -7.517 -4.870 396 1HB LYS 53 2HB LYS 53 10.829 -8.659 -7.039 397 2HB LYS 53 1HB LYS 53 12.544 -8.543 -7.433 398 1HG LYS 53 2HG LYS 53 12.683 -9.640 -4.947 399 2HG LYS 53 1HG LYS 53 11.166 -10.332 -5.521 400 1HD LYS 53 2HD LYS 53 12.992 -11.815 -6.148 401 2HD LYS 53 1HD LYS 53 12.340 -11.064 -7.606 402 1HE LYS 53 2HE LYS 53 14.319 -9.295 -6.647 403 2HE LYS 53 1HE LYS 53 15.019 -10.909 -6.532 404 1HZ LYS 53 1HZ LYS 53 14.631 -9.353 -8.822 405 2HZ LYS 53 2HZ LYS 53 13.625 -10.715 -8.952 406 3HZ LYS 53 3HZ LYS 53 15.296 -10.910 -8.713 407 H ASN 54 H ASN 54 14.037 -6.667 -6.999 408 HA ASN 54 HA ASN 54 16.056 -7.698 -5.271 409 1HB ASN 54 2HB ASN 54 15.972 -6.436 -7.783 410 2HB ASN 54 1HB ASN 54 16.970 -5.394 -6.769 411 1HD2 ASN 54 1HD2 ASN 54 18.152 -6.890 -8.891 412 2HD2 ASN 54 2HD2 ASN 54 19.146 -8.093 -8.222 413 H LYS 55 H LYS 55 14.093 -4.884 -5.043 414 HA LYS 55 HA LYS 55 15.894 -3.200 -3.586 415 1HB LYS 55 2HB LYS 55 13.577 -2.651 -4.650 416 2HB LYS 55 1HB LYS 55 12.923 -3.218 -3.114 417 1HG LYS 55 2HG LYS 55 13.222 -0.993 -2.584 418 2HG LYS 55 1HG LYS 55 14.816 -1.606 -2.139 419 1HD LYS 55 2HD LYS 55 15.084 -1.121 -4.849 420 2HD LYS 55 1HD LYS 55 14.061 0.211 -4.312 421 1HE LYS 55 2HE LYS 55 15.713 0.613 -2.444 422 2HE LYS 55 1HE LYS 55 16.772 -0.570 -3.212 423 1HZ LYS 55 1HZ LYS 55 15.792 1.978 -4.373 424 2HZ LYS 55 2HZ LYS 55 16.628 0.794 -5.260 425 3HZ LYS 55 3HZ LYS 55 17.390 1.586 -3.965 426 H GLY 56 H GLY 56 14.573 -6.185 -2.757 427 1HA GLY 56 1HA GLY 56 14.309 -7.308 -0.706 428 2HA GLY 56 2HA GLY 56 15.690 -6.334 -0.197 429 H ILE 57 H ILE 57 12.337 -5.460 -1.051 430 HA ILE 57 HA ILE 57 12.154 -4.096 1.608 431 HB ILE 57 HB ILE 57 12.155 -2.564 -0.346 432 1HG1 ILE 57 2HG1 ILE 57 10.718 -2.262 1.816 433 2HG1 ILE 57 1HG1 ILE 57 10.403 -1.214 0.435 434 1HG2 ILE 57 1HG2 ILE 57 9.947 -4.403 -1.186 435 2HG2 ILE 57 2HG2 ILE 57 11.233 -3.682 -2.152 436 3HG2 ILE 57 3HG2 ILE 57 9.853 -2.705 -1.649 437 1HD1 ILE 57 1HD1 ILE 57 8.860 -3.665 0.228 438 2HD1 ILE 57 2HD1 ILE 57 8.302 -1.994 0.235 439 3HD1 ILE 57 3HD1 ILE 57 8.542 -2.850 1.757 440 H ILE 58 H ILE 58 10.256 -4.381 2.809 441 HA ILE 58 HA ILE 58 8.522 -6.636 1.912 442 HB ILE 58 HB ILE 58 9.431 -7.052 4.091 443 1HG1 ILE 58 2HG1 ILE 58 7.464 -7.179 5.463 444 2HG1 ILE 58 1HG1 ILE 58 6.723 -5.808 4.638 445 1HG2 ILE 58 1HG2 ILE 58 10.309 -5.104 4.950 446 2HG2 ILE 58 2HG2 ILE 58 8.803 -5.138 5.865 447 3HG2 ILE 58 3HG2 ILE 58 8.936 -4.129 4.425 448 1HD1 ILE 58 1HD1 ILE 58 6.116 -7.058 2.808 449 2HD1 ILE 58 2HD1 ILE 58 6.115 -8.348 4.011 450 3HD1 ILE 58 3HD1 ILE 58 7.507 -8.132 2.949 451 H TRP 59 H TRP 59 7.052 -5.556 0.575 452 HA TRP 59 HA TRP 59 5.973 -3.052 0.733 453 1HB TRP 59 2HB TRP 59 4.585 -5.645 0.054 454 2HB TRP 59 1HB TRP 59 3.821 -4.070 -0.164 455 HD1 TRP 59 HD1 TRP 59 5.306 -6.378 -2.282 456 HE1 TRP 59 HE1 TRP 59 6.694 -5.324 -4.181 457 HE3 TRP 59 HE3 TRP 59 5.906 -1.652 -0.431 458 HZ2 TRP 59 HZ2 TRP 59 7.909 -2.821 -4.818 459 HZ3 TRP 59 HZ3 TRP 59 7.184 0.041 -1.706 460 HH2 TRP 59 HH2 TRP 59 8.180 -0.536 -3.898 461 H GLY 60 H GLY 60 5.701 -2.210 2.774 462 1HA GLY 60 1HA GLY 60 3.457 -3.392 4.366 463 2HA GLY 60 2HA GLY 60 4.875 -2.675 5.134 464 H GLU 61 H GLU 61 3.495 -1.106 6.187 465 HA GLU 61 HA GLU 61 1.834 0.701 4.624 466 1HB GLU 61 2HB GLU 61 2.271 0.126 7.394 467 2HB GLU 61 1HB GLU 61 2.522 1.854 7.146 468 1HG GLU 61 2HG GLU 61 0.344 2.180 6.323 469 2HG GLU 61 1HG GLU 61 0.132 0.470 5.943 470 H ASP 62 H ASP 62 4.591 1.538 6.743 471 HA ASP 62 HA ASP 62 5.128 3.996 5.408 472 1HB ASP 62 2HB ASP 62 6.157 2.560 7.640 473 2HB ASP 62 1HB ASP 62 7.523 2.983 6.607 474 H THR 63 H THR 63 6.462 0.736 4.952 475 HA THR 63 HA THR 63 8.597 1.437 3.220 476 HB THR 63 HB THR 63 7.677 -0.997 2.245 477 HG1 THR 63 HG1 THR 63 7.361 -1.870 4.588 478 1HG2 THR 63 1HG2 THR 63 9.439 -0.471 4.654 479 2HG2 THR 63 2HG2 THR 63 9.970 -0.429 2.973 480 3HG2 THR 63 3HG2 THR 63 9.425 -1.946 3.689 481 H LEU 64 H LEU 64 5.234 0.526 2.426 482 HA LEU 64 HA LEU 64 5.549 0.948 -0.405 483 1HB LEU 64 2HB LEU 64 3.591 -0.118 1.190 484 2HB LEU 64 1HB LEU 64 2.866 1.420 0.723 485 HG LEU 64 HG LEU 64 4.065 -0.576 -1.215 486 1HD1 LEU 64 1HD1 LEU 64 1.145 0.061 -1.042 487 2HD1 LEU 64 2HD1 LEU 64 1.830 -1.072 0.123 488 3HD1 LEU 64 3HD1 LEU 64 1.937 -1.411 -1.604 489 1HD2 LEU 64 1HD2 LEU 64 2.559 0.948 -2.755 490 2HD2 LEU 64 2HD2 LEU 64 4.175 1.487 -2.301 491 3HD2 LEU 64 3HD2 LEU 64 2.763 2.121 -1.455 492 H MET 65 H MET 65 4.720 3.046 2.295 493 HA MET 65 HA MET 65 3.663 5.250 0.873 494 1HB MET 65 2HB MET 65 3.653 5.128 3.330 495 2HB MET 65 1HB MET 65 5.411 5.260 3.353 496 1HG MET 65 2HG MET 65 4.510 7.405 1.764 497 2HG MET 65 1HG MET 65 3.438 7.365 3.163 498 1HE MET 65 1HE MET 65 5.124 7.828 6.126 499 2HE MET 65 2HE MET 65 3.694 7.785 5.099 500 3HE MET 65 3HE MET 65 4.584 9.293 5.294 501 H GLU 66 H GLU 66 6.984 4.170 1.307 502 HA GLU 66 HA GLU 66 8.138 6.597 0.214 503 1HB GLU 66 2HB GLU 66 9.287 4.940 1.794 504 2HB GLU 66 1HB GLU 66 9.496 3.906 0.380 505 1HG GLU 66 2HG GLU 66 10.881 5.474 -0.711 506 2HG GLU 66 1HG GLU 66 10.354 6.795 0.331 507 H TYR 67 H TYR 67 7.863 3.242 -1.024 508 HA TYR 67 HA TYR 67 8.808 3.801 -3.641 509 1HB TYR 67 2HB TYR 67 8.571 1.508 -2.955 510 2HB TYR 67 1HB TYR 67 6.851 1.720 -2.631 511 HD1 TYR 67 HD1 TYR 67 5.923 0.130 -4.156 512 HD2 TYR 67 HD2 TYR 67 8.721 3.072 -5.551 513 HE1 TYR 67 HE1 TYR 67 5.391 -0.477 -6.499 514 HE2 TYR 67 HE2 TYR 67 8.186 2.467 -7.895 515 HH TYR 67 HH TYR 67 7.271 0.325 -9.074 516 H LEU 68 H LEU 68 5.810 4.637 -2.131 517 HA LEU 68 HA LEU 68 4.492 5.094 -4.743 518 1HB LEU 68 2HB LEU 68 3.530 4.423 -2.205 519 2HB LEU 68 1HB LEU 68 3.047 6.105 -2.434 520 HG LEU 68 HG LEU 68 2.252 5.379 -4.771 521 1HD1 LEU 68 1HD1 LEU 68 1.910 3.079 -5.193 522 2HD1 LEU 68 2HD1 LEU 68 2.139 2.644 -3.500 523 3HD1 LEU 68 3HD1 LEU 68 3.521 3.134 -4.478 524 1HD2 LEU 68 1HD2 LEU 68 0.871 4.254 -2.311 525 2HD2 LEU 68 2HD2 LEU 68 0.099 4.588 -3.861 526 3HD2 LEU 68 3HD2 LEU 68 0.734 5.915 -2.889 527 H GLU 69 H GLU 69 5.890 6.919 -2.055 528 HA GLU 69 HA GLU 69 4.985 9.505 -2.809 529 1HB GLU 69 2HB GLU 69 6.425 8.639 -0.761 530 2HB GLU 69 1HB GLU 69 7.775 9.066 -1.803 531 1HG GLU 69 2HG GLU 69 6.792 11.350 -2.074 532 2HG GLU 69 1HG GLU 69 5.541 10.911 -0.909 533 H ASN 70 H ASN 70 7.304 7.321 -4.105 534 HA ASN 70 HA ASN 70 7.572 8.789 -6.570 535 1HB ASN 70 2HB ASN 70 9.110 10.014 -4.857 536 2HB ASN 70 1HB ASN 70 10.146 8.597 -5.013 537 1HD2 ASN 70 1HD2 ASN 70 10.365 11.532 -6.050 538 2HD2 ASN 70 2HD2 ASN 70 10.756 11.336 -7.689 539 HA PRO 71 HA PRO 71 8.352 4.331 -6.856 540 1HB PRO 71 2HB PRO 71 7.090 4.078 -9.293 541 2HB PRO 71 1HB PRO 71 6.254 3.991 -7.734 542 1HG PRO 71 2HG PRO 71 6.275 6.206 -9.727 543 2HG PRO 71 1HG PRO 71 5.049 5.796 -8.517 544 1HD PRO 71 2HD PRO 71 6.951 7.881 -8.295 545 2HD PRO 71 1HD PRO 71 5.954 7.234 -6.974 546 H LYS 72 H LYS 72 8.721 6.754 -9.440 547 HA LYS 72 HA LYS 72 10.682 5.251 -10.915 548 1HB LYS 72 2HB LYS 72 9.268 7.267 -11.711 549 2HB LYS 72 1HB LYS 72 10.484 8.261 -10.908 550 1HG LYS 72 2HG LYS 72 11.819 8.048 -12.703 551 2HG LYS 72 1HG LYS 72 11.877 6.307 -12.432 552 1HD LYS 72 2HD LYS 72 9.346 6.868 -13.585 553 2HD LYS 72 1HD LYS 72 10.544 7.746 -14.536 554 1HE LYS 72 2HE LYS 72 11.031 4.879 -13.759 555 2HE LYS 72 1HE LYS 72 10.029 5.263 -15.159 556 1HZ LYS 72 1HZ LYS 72 12.145 6.875 -15.521 557 2HZ LYS 72 2HZ LYS 72 11.975 5.340 -16.229 558 3HZ LYS 72 3HZ LYS 72 12.883 5.527 -14.805 559 H LYS 73 H LYS 73 10.789 6.752 -7.910 560 HA LYS 73 HA LYS 73 13.712 7.298 -8.091 561 1HB LYS 73 2HB LYS 73 12.575 9.168 -7.155 562 2HB LYS 73 1HB LYS 73 11.555 8.140 -6.149 563 1HG LYS 73 2HG LYS 73 13.089 8.089 -4.497 564 2HG LYS 73 1HG LYS 73 14.383 7.681 -5.626 565 1HD LYS 73 2HD LYS 73 14.053 10.249 -6.319 566 2HD LYS 73 1HD LYS 73 13.494 10.354 -4.648 567 1HE LYS 73 2HE LYS 73 15.808 8.763 -4.552 568 2HE LYS 73 1HE LYS 73 16.200 10.086 -5.651 569 1HZ LYS 73 1HZ LYS 73 15.610 11.671 -4.016 570 2HZ LYS 73 2HZ LYS 73 16.624 10.543 -3.251 571 3HZ LYS 73 3HZ LYS 73 14.945 10.491 -2.996 572 H TYR 74 H TYR 74 11.284 5.355 -6.404 573 HA TYR 74 HA TYR 74 13.210 4.142 -4.581 574 1HB TYR 74 2HB TYR 74 10.615 4.355 -4.326 575 2HB TYR 74 1HB TYR 74 10.565 2.913 -5.338 576 HD1 TYR 74 HD1 TYR 74 10.190 1.010 -4.048 577 HD2 TYR 74 HD2 TYR 74 12.839 4.053 -2.572 578 HE1 TYR 74 HE1 TYR 74 10.702 -0.398 -2.071 579 HE2 TYR 74 HE2 TYR 74 13.351 2.644 -0.594 580 HH TYR 74 HH TYR 74 13.272 0.383 0.119 581 H ILE 75 H ILE 75 11.178 2.587 -7.068 582 HA ILE 75 HA ILE 75 13.226 0.549 -7.493 583 HB ILE 75 HB ILE 75 10.779 0.777 -9.195 584 1HG1 ILE 75 2HG1 ILE 75 9.922 1.353 -6.962 585 2HG1 ILE 75 1HG1 ILE 75 9.437 -0.282 -7.385 586 1HG2 ILE 75 1HG2 ILE 75 12.759 -1.119 -8.611 587 2HG2 ILE 75 2HG2 ILE 75 11.293 -1.372 -9.560 588 3HG2 ILE 75 3HG2 ILE 75 11.295 -1.708 -7.829 589 1HD1 ILE 75 1HD1 ILE 75 11.589 -1.033 -6.169 590 2HD1 ILE 75 2HD1 ILE 75 10.238 -0.491 -5.174 591 3HD1 ILE 75 3HD1 ILE 75 11.599 0.589 -5.476 592 HA PRO 76 HA PRO 76 14.814 3.143 -10.785 593 1HB PRO 76 2HB PRO 76 17.037 1.590 -11.250 594 2HB PRO 76 1HB PRO 76 16.925 2.781 -9.944 595 1HG PRO 76 2HG PRO 76 16.794 -0.195 -9.787 596 2HG PRO 76 1HG PRO 76 17.309 0.972 -8.557 597 1HD PRO 76 2HD PRO 76 14.802 -0.335 -8.649 598 2HD PRO 76 1HD PRO 76 15.209 1.071 -7.641 599 H GLY 77 H GLY 77 12.935 2.376 -12.134 600 1HA GLY 77 2HA GLY 77 13.286 1.580 -14.613 601 2HA GLY 77 1HA GLY 77 13.582 0.025 -13.839 602 H THR 78 H THR 78 11.348 1.414 -11.873 603 HA THR 78 HA THR 78 9.239 -0.307 -12.611 604 HB THR 78 HB THR 78 9.377 0.979 -10.440 605 HG1 THR 78 HG1 THR 78 7.453 -0.038 -11.076 606 1HG2 THR 78 1HG2 THR 78 8.132 3.224 -12.038 607 2HG2 THR 78 2HG2 THR 78 9.849 3.184 -11.637 608 3HG2 THR 78 3HG2 THR 78 8.644 3.253 -10.351 609 H LYS 79 H LYS 79 7.094 0.339 -13.511 610 HA LYS 79 HA LYS 79 7.371 2.454 -15.601 611 1HB LYS 79 2HB LYS 79 6.234 1.067 -17.191 612 2HB LYS 79 1HB LYS 79 7.490 0.056 -16.475 613 1HG LYS 79 2HG LYS 79 5.920 -1.412 -15.822 614 2HG LYS 79 1HG LYS 79 5.181 -0.162 -14.821 615 1HD LYS 79 2HD LYS 79 3.440 -0.790 -16.281 616 2HD LYS 79 1HD LYS 79 4.100 0.665 -17.030 617 1HE LYS 79 2HE LYS 79 5.370 -0.626 -18.612 618 2HE LYS 79 1HE LYS 79 5.003 -2.129 -17.766 619 1HZ LYS 79 1HZ LYS 79 2.669 -0.631 -18.524 620 2HZ LYS 79 2HZ LYS 79 3.022 -2.279 -18.744 621 3HZ LYS 79 3HZ LYS 79 3.602 -1.126 -19.850 622 H MET 80 H MET 80 6.105 2.226 -12.813 623 HA MET 80 HA MET 80 3.272 2.163 -13.021 624 1HB MET 80 2HB MET 80 5.128 3.664 -11.180 625 2HB MET 80 1HB MET 80 3.381 3.756 -11.019 626 1HG MET 80 2HG MET 80 3.955 1.026 -11.250 627 2HG MET 80 1HG MET 80 5.208 1.649 -10.185 628 1HE MET 80 1HE MET 80 2.907 3.746 -7.766 629 2HE MET 80 2HE MET 80 2.060 4.029 -9.282 630 3HE MET 80 3HE MET 80 3.818 4.093 -9.241 631 H ILE 81 H ILE 81 2.170 3.395 -14.516 632 HA ILE 81 HA ILE 81 3.099 6.152 -15.089 633 HB ILE 81 HB ILE 81 0.588 4.927 -16.218 634 1HG1 ILE 81 2HG1 ILE 81 2.582 4.355 -18.062 635 2HG1 ILE 81 1HG1 ILE 81 3.329 3.927 -16.522 636 1HG2 ILE 81 1HG2 ILE 81 2.130 6.234 -18.167 637 2HG2 ILE 81 2HG2 ILE 81 2.303 7.219 -16.716 638 3HG2 ILE 81 3HG2 ILE 81 0.699 6.872 -17.359 639 1HD1 ILE 81 1HD1 ILE 81 0.705 2.901 -17.634 640 2HD1 ILE 81 2HD1 ILE 81 1.230 2.624 -15.973 641 3HD1 ILE 81 3HD1 ILE 81 2.169 1.970 -17.314 642 H PHE 82 H PHE 82 2.300 5.725 -12.464 643 HA PHE 82 HA PHE 82 -0.432 6.890 -12.274 644 1HB PHE 82 2HB PHE 82 -0.387 4.956 -10.965 645 2HB PHE 82 1HB PHE 82 1.285 5.203 -10.481 646 HD1 PHE 82 HD1 PHE 82 1.765 6.136 -8.390 647 HD2 PHE 82 HD2 PHE 82 -2.105 6.740 -10.149 648 HE1 PHE 82 HE1 PHE 82 0.990 7.245 -6.307 649 HE2 PHE 82 HE2 PHE 82 -2.881 7.848 -8.069 650 HZ PHE 82 HZ PHE 82 -1.333 8.100 -6.147 651 H VAL 83 H VAL 83 2.862 7.259 -10.936 652 HA VAL 83 HA VAL 83 2.898 9.237 -9.190 653 HB VAL 83 HB VAL 83 4.719 10.407 -10.681 654 1HG1 VAL 83 1HG1 VAL 83 6.035 8.051 -10.336 655 2HG1 VAL 83 2HG1 VAL 83 4.643 7.799 -9.283 656 3HG1 VAL 83 3HG1 VAL 83 5.705 9.183 -9.024 657 1HG2 VAL 83 1HG2 VAL 83 3.980 9.491 -12.815 658 2HG2 VAL 83 2HG2 VAL 83 4.106 7.848 -12.188 659 3HG2 VAL 83 3HG2 VAL 83 5.561 8.814 -12.423 660 H GLY 84 H GLY 84 1.376 10.797 -8.935 661 1HA GLY 84 2HA GLY 84 1.376 13.110 -10.644 662 2HA GLY 84 1HA GLY 84 -0.075 12.146 -10.925 663 H ILE 85 H ILE 85 1.509 12.280 -7.793 664 HA ILE 85 HA ILE 85 -0.409 14.271 -6.765 665 HB ILE 85 HB ILE 85 -0.351 11.577 -5.423 666 1HG1 ILE 85 2HG1 ILE 85 -2.164 12.469 -7.688 667 2HG1 ILE 85 1HG1 ILE 85 -1.045 11.105 -7.711 668 1HG2 ILE 85 1HG2 ILE 85 -2.589 12.374 -4.649 669 2HG2 ILE 85 2HG2 ILE 85 -2.321 13.881 -5.525 670 3HG2 ILE 85 3HG2 ILE 85 -1.279 13.452 -4.168 671 1HD1 ILE 85 1HD1 ILE 85 -3.555 11.407 -6.049 672 2HD1 ILE 85 2HD1 ILE 85 -2.343 10.166 -5.729 673 3HD1 ILE 85 3HD1 ILE 85 -3.208 10.178 -7.266 674 H LYS 86 H LYS 86 0.067 14.777 -4.448 675 HA LYS 86 HA LYS 86 2.506 13.742 -3.250 676 1HB LYS 86 2HB LYS 86 3.705 15.952 -3.301 677 2HB LYS 86 1HB LYS 86 3.571 15.185 -4.885 678 1HG LYS 86 2HG LYS 86 2.377 16.912 -5.697 679 2HG LYS 86 1HG LYS 86 1.245 16.828 -4.347 680 1HD LYS 86 2HD LYS 86 2.145 18.914 -3.940 681 2HD LYS 86 1HD LYS 86 3.299 17.928 -3.041 682 1HE LYS 86 2HE LYS 86 4.925 18.061 -4.739 683 2HE LYS 86 1HE LYS 86 3.742 18.535 -5.959 684 1HZ LYS 86 1HZ LYS 86 3.671 20.408 -3.882 685 2HZ LYS 86 2HZ LYS 86 4.153 20.642 -5.494 686 3HZ LYS 86 3HZ LYS 86 5.295 20.186 -4.321 687 H LYS 87 H LYS 87 -0.259 14.107 -2.476 688 HA LYS 87 HA LYS 87 -0.036 16.247 -0.406 689 1HB LYS 87 2HB LYS 87 -2.021 16.175 -2.033 690 2HB LYS 87 1HB LYS 87 -2.540 14.732 -1.161 691 1HG LYS 87 2HG LYS 87 -2.981 15.903 0.798 692 2HG LYS 87 1HG LYS 87 -1.851 17.199 0.399 693 1HD LYS 87 2HD LYS 87 -3.344 18.205 -1.116 694 2HD LYS 87 1HD LYS 87 -4.311 16.738 -1.278 695 1HE LYS 87 2HE LYS 87 -5.447 17.099 0.697 696 2HE LYS 87 1HE LYS 87 -4.098 17.959 1.439 697 1HZ LYS 87 1HZ LYS 87 -6.324 19.040 0.157 698 2HZ LYS 87 2HZ LYS 87 -4.972 19.395 -0.810 699 3HZ LYS 87 3HZ LYS 87 -5.001 19.867 0.822 700 H LYS 88 H LYS 88 -0.462 15.709 1.793 701 HA LYS 88 HA LYS 88 0.281 12.994 2.537 702 1HB LYS 88 2HB LYS 88 -0.318 15.543 3.977 703 2HB LYS 88 1HB LYS 88 -0.464 14.038 4.885 704 1HG LYS 88 2HG LYS 88 1.773 13.891 5.068 705 2HG LYS 88 1HG LYS 88 1.946 13.960 3.315 706 1HD LYS 88 2HD LYS 88 2.966 15.953 3.670 707 2HD LYS 88 1HD LYS 88 1.340 16.577 3.953 708 1HE LYS 88 2HE LYS 88 2.091 17.147 6.011 709 2HE LYS 88 1HE LYS 88 1.988 15.427 6.387 710 1HZ LYS 88 1HZ LYS 88 4.285 15.206 5.533 711 2HZ LYS 88 2HZ LYS 88 4.170 16.192 6.913 712 3HZ LYS 88 3HZ LYS 88 4.362 16.894 5.378 713 H GLU 89 H GLU 89 -2.706 14.879 2.447 714 HA GLU 89 HA GLU 89 -4.334 13.021 3.891 715 1HB GLU 89 2HB GLU 89 -4.701 15.455 2.363 716 2HB GLU 89 1HB GLU 89 -5.971 14.290 1.987 717 1HG GLU 89 2HG GLU 89 -6.730 15.565 3.881 718 2HG GLU 89 1HG GLU 89 -6.277 13.970 4.483 719 H GLU 90 H GLU 90 -3.255 13.166 0.553 720 HA GLU 90 HA GLU 90 -5.171 11.210 -0.425 721 1HB GLU 90 2HB GLU 90 -2.968 12.793 -1.504 722 2HB GLU 90 1HB GLU 90 -2.979 11.150 -2.144 723 1HG GLU 90 2HG GLU 90 -4.546 11.926 -3.589 724 2HG GLU 90 1HG GLU 90 -5.649 11.811 -2.217 725 H ARG 91 H ARG 91 -1.633 11.013 0.130 726 HA ARG 91 HA ARG 91 -1.368 8.236 -0.253 727 1HB ARG 91 2HB ARG 91 0.606 8.462 1.348 728 2HB ARG 91 1HB ARG 91 0.617 9.560 -0.033 729 1HG ARG 91 2HG ARG 91 0.911 11.186 1.528 730 2HG ARG 91 1HG ARG 91 -0.821 11.003 1.808 731 1HD ARG 91 2HD ARG 91 -0.454 10.208 3.877 732 2HD ARG 91 1HD ARG 91 0.619 8.959 3.246 733 HE ARG 91 HE ARG 91 2.219 11.188 3.204 734 1HH1 ARG 91 1HH1 ARG 91 0.187 9.671 5.549 735 2HH1 ARG 91 2HH1 ARG 91 1.108 10.235 6.901 736 1HH2 ARG 91 1HH2 ARG 91 3.414 11.949 4.963 737 2HH2 ARG 91 2HH2 ARG 91 2.934 11.519 6.571 738 H ALA 92 H ALA 92 -2.256 10.025 2.689 739 HA ALA 92 HA ALA 92 -2.270 7.810 4.469 740 1HB ALA 92 1HB ALA 92 -3.535 10.511 4.416 741 2HB ALA 92 2HB ALA 92 -2.489 9.785 5.636 742 3HB ALA 92 3HB ALA 92 -4.191 9.331 5.552 743 H ASP 93 H ASP 93 -4.821 9.098 2.346 744 HA ASP 93 HA ASP 93 -6.853 7.292 3.266 745 1HB ASP 93 2HB ASP 93 -6.634 9.400 1.353 746 2HB ASP 93 1HB ASP 93 -7.313 7.992 0.535 747 H LEU 94 H LEU 94 -4.388 7.081 0.742 748 HA LEU 94 HA LEU 94 -5.401 4.791 -0.614 749 1HB LEU 94 2HB LEU 94 -2.552 5.734 -0.180 750 2HB LEU 94 1HB LEU 94 -2.999 4.429 -1.278 751 HG LEU 94 HG LEU 94 -4.175 7.214 -1.446 752 1HD1 LEU 94 1HD1 LEU 94 -1.841 5.979 -2.936 753 2HD1 LEU 94 2HD1 LEU 94 -1.790 7.388 -1.877 754 3HD1 LEU 94 3HD1 LEU 94 -2.643 7.475 -3.417 755 1HD2 LEU 94 1HD2 LEU 94 -4.047 5.533 -3.840 756 2HD2 LEU 94 2HD2 LEU 94 -5.425 6.388 -3.146 757 3HD2 LEU 94 3HD2 LEU 94 -4.983 4.791 -2.544 758 H ILE 95 H ILE 95 -3.012 4.994 2.040 759 HA ILE 95 HA ILE 95 -2.808 2.144 2.376 760 HB ILE 95 HB ILE 95 -2.351 4.187 4.556 761 1HG1 ILE 95 2HG1 ILE 95 -1.187 5.184 2.761 762 2HG1 ILE 95 1HG1 ILE 95 0.043 4.195 3.547 763 1HG2 ILE 95 1HG2 ILE 95 -1.963 1.403 4.334 764 2HG2 ILE 95 2HG2 ILE 95 -1.364 2.463 5.611 765 3HG2 ILE 95 3HG2 ILE 95 -0.357 2.119 4.204 766 1HD1 ILE 95 1HD1 ILE 95 -1.382 3.736 0.948 767 2HD1 ILE 95 2HD1 ILE 95 -0.803 2.346 1.866 768 3HD1 ILE 95 3HD1 ILE 95 0.335 3.579 1.322 769 H ALA 96 H ALA 96 -4.853 4.621 3.818 770 HA ALA 96 HA ALA 96 -5.999 3.197 5.943 771 1HB ALA 96 1HB ALA 96 -7.991 4.714 4.431 772 2HB ALA 96 2HB ALA 96 -6.497 5.618 4.681 773 3HB ALA 96 3HB ALA 96 -7.382 4.979 6.065 774 H TYR 97 H TYR 97 -7.179 3.277 2.555 775 HA TYR 97 HA TYR 97 -9.193 1.277 3.071 776 1HB TYR 97 2HB TYR 97 -9.595 2.779 1.249 777 2HB TYR 97 1HB TYR 97 -8.033 2.411 0.519 778 HD1 TYR 97 HD1 TYR 97 -8.282 1.182 -1.447 779 HD2 TYR 97 HD2 TYR 97 -10.819 0.311 1.906 780 HE1 TYR 97 HE1 TYR 97 -9.304 -0.696 -2.706 781 HE2 TYR 97 HE2 TYR 97 -11.843 -1.563 0.646 782 HH TYR 97 HH TYR 97 -11.936 -1.935 -2.331 783 H LEU 98 H LEU 98 -5.967 1.207 1.560 784 HA LEU 98 HA LEU 98 -6.086 -1.576 0.878 785 1HB LEU 98 2HB LEU 98 -4.075 0.554 0.868 786 2HB LEU 98 1HB LEU 98 -3.395 -1.026 1.257 787 HG LEU 98 HG LEU 98 -3.324 -0.805 -1.137 788 1HD1 LEU 98 1HD1 LEU 98 -4.576 -2.874 0.139 789 2HD1 LEU 98 2HD1 LEU 98 -4.193 -2.860 -1.582 790 3HD1 LEU 98 3HD1 LEU 98 -5.805 -2.402 -1.034 791 1HD2 LEU 98 1HD2 LEU 98 -4.777 0.801 -1.883 792 2HD2 LEU 98 2HD2 LEU 98 -6.014 0.377 -0.700 793 3HD2 LEU 98 3HD2 LEU 98 -5.823 -0.591 -2.161 794 H LYS 99 H LYS 99 -5.959 -0.105 3.895 795 HA LYS 99 HA LYS 99 -4.423 -2.301 5.122 796 1HB LYS 99 2HB LYS 99 -4.330 0.278 5.741 797 2HB LYS 99 1HB LYS 99 -5.721 -0.147 6.740 798 1HG LYS 99 2HG LYS 99 -3.854 -2.203 7.168 799 2HG LYS 99 1HG LYS 99 -2.913 -0.712 7.191 800 1HD LYS 99 2HD LYS 99 -3.690 -1.094 9.439 801 2HD LYS 99 1HD LYS 99 -4.636 0.241 8.780 802 1HE LYS 99 2HE LYS 99 -6.564 -1.031 8.593 803 2HE LYS 99 1HE LYS 99 -5.673 -2.545 8.427 804 1HZ LYS 99 1HZ LYS 99 -5.009 -1.556 10.908 805 2HZ LYS 99 2HZ LYS 99 -6.035 -2.868 10.574 806 3HZ LYS 99 3HZ LYS 99 -6.682 -1.309 10.774 807 H LYS 100 H LYS 100 -7.701 -0.971 5.004 808 HA LYS 100 HA LYS 100 -8.707 -2.916 6.952 809 1HB LYS 100 2HB LYS 100 -9.736 -0.671 6.691 810 2HB LYS 100 1HB LYS 100 -10.219 -1.101 5.050 811 1HG LYS 100 2HG LYS 100 -11.527 -3.008 5.963 812 2HG LYS 100 1HG LYS 100 -11.098 -2.497 7.595 813 1HD LYS 100 2HD LYS 100 -12.746 -0.967 7.596 814 2HD LYS 100 1HD LYS 100 -12.115 -0.243 6.117 815 1HE LYS 100 2HE LYS 100 -13.868 -2.716 6.191 816 2HE LYS 100 1HE LYS 100 -14.461 -1.085 5.873 817 1HZ LYS 100 1HZ LYS 100 -12.743 -2.796 4.215 818 2HZ LYS 100 2HZ LYS 100 -12.587 -1.108 4.093 819 3HZ LYS 100 3HZ LYS 100 -14.079 -1.851 3.765 820 H ALA 101 H ALA 101 -8.510 -2.633 3.453 821 HA ALA 101 HA ALA 101 -10.317 -4.807 2.893 822 1HB ALA 101 1HB ALA 101 -9.412 -2.876 1.336 823 2HB ALA 101 2HB ALA 101 -9.804 -4.455 0.655 824 3HB ALA 101 3HB ALA 101 -8.126 -4.035 1.001 825 H THR 102 H THR 102 -6.746 -4.614 2.534 826 HA THR 102 HA THR 102 -6.693 -7.583 2.780 827 HB THR 102 HB THR 102 -5.579 -6.360 0.824 828 HG1 THR 102 HG1 THR 102 -4.481 -8.268 2.513 829 1HG2 THR 102 1HG2 THR 102 -4.447 -4.879 2.897 830 2HG2 THR 102 2HG2 THR 102 -3.950 -4.852 1.206 831 3HG2 THR 102 3HG2 THR 102 -3.136 -5.922 2.348 832 H ASN 103 H ASN 103 -6.919 -5.609 5.084 833 HA ASN 103 HA ASN 103 -4.968 -6.935 6.777 834 1HB ASN 103 2HB ASN 103 -4.278 -4.416 5.617 835 2HB ASN 103 1HB ASN 103 -4.549 -4.169 7.343 836 1HD2 ASN 103 1HD2 ASN 103 -2.643 -6.091 5.009 837 2HD2 ASN 103 2HD2 ASN 103 -1.424 -6.518 6.111 838 H GLU 104 HN GLU 104 -7.497 -7.303 7.196 839 HA GLU 104 HA GLU 104 -8.350 -5.286 9.234 840 1HB GLU 104 2HB GLU 104 -9.754 -6.418 7.028 841 2HB GLU 104 1HB GLU 104 -10.488 -7.052 8.502 842 1HG GLU 104 2HG GLU 104 -10.269 -4.507 9.272 843 2HG GLU 104 1HG GLU 104 -10.320 -4.230 7.530 844 HHA HEC 105 HHA HEC 105 4.193 -2.994 -9.051 845 HHB HEC 105 HHB HEC 105 1.293 0.424 -4.605 846 HHC HEC 105 HHC HEC 105 -1.834 3.594 -9.099 847 HHD HEC 105 HHD HEC 105 1.033 0.139 -13.535 848 1HMA HEC 105 1HMA HEC 105 2.167 -1.515 -3.677 849 2HMA HEC 105 2HMA HEC 105 3.760 -0.766 -3.796 850 3HMA HEC 105 3HMA HEC 105 3.596 -2.517 -3.931 851 1HAA HEC 105 1HAA HEC 105 4.951 -3.557 -7.362 852 2HAA HEC 105 2HAA HEC 105 5.433 -2.840 -5.832 853 1HBA HEC 105 1HBA HEC 105 3.032 -4.656 -6.015 854 2HBA HEC 105 2HBA HEC 105 3.996 -4.243 -4.594 855 1HMB HEC 105 1HMB HEC 105 -0.868 1.370 -3.768 856 2HMB HEC 105 2HMB HEC 105 -1.424 3.031 -3.976 857 3HMB HEC 105 3HMB HEC 105 0.288 2.697 -3.732 858 HAB HEC 105 HAB HEC 105 -2.320 4.465 -7.363 859 1HBB HEC 105 1HBB HEC 105 -2.218 5.988 -5.689 860 2HBB HEC 105 2HBB HEC 105 -0.601 5.284 -5.649 861 3HBB HEC 105 3HBB HEC 105 -1.809 4.787 -4.464 862 1HMC HEC 105 1HMC HEC 105 -3.000 3.426 -12.487 863 2HMC HEC 105 2HMC HEC 105 -2.731 4.026 -10.851 864 3HMC HEC 105 3HMC HEC 105 -1.782 4.667 -12.192 865 HAC HEC 105 HAC HEC 105 -0.105 1.556 -14.525 866 1HBC HEC 105 1HBC HEC 105 -0.270 4.022 -14.212 867 2HBC HEC 105 2HBC HEC 105 -2.022 3.819 -14.211 868 3HBC HEC 105 3HBC HEC 105 -1.081 3.351 -15.627 869 1HMD HEC 105 1HMD HEC 105 3.199 -0.841 -14.393 870 2HMD HEC 105 2HMD HEC 105 3.672 -2.526 -14.167 871 3HMD HEC 105 3HMD HEC 105 1.972 -2.108 -14.383 872 1HAD HEC 105 1HAD HEC 105 3.883 -4.364 -11.569 873 2HAD HEC 105 2HAD HEC 105 4.719 -3.412 -12.786 874 1HBD HEC 105 1HBD HEC 105 5.552 -2.432 -10.254 875 2HBD HEC 105 2HBD HEC 105 6.503 -3.309 -11.448 Start of MODEL 18 1 1H GLY 1 1HT GLY 1 -9.189 8.754 9.319 2 2H GLY 1 2HT GLY 1 -9.829 7.216 9.653 3 3H GLY 1 3HT GLY 1 -10.794 8.601 9.845 4 1HA GLY 1 1HA GLY 1 -10.753 9.021 7.483 5 2HA GLY 1 2HA GLY 1 -9.697 7.625 7.264 6 H ASP 2 H ASP 2 -11.604 7.001 5.814 7 HA ASP 2 HA ASP 2 -13.413 5.264 7.393 8 1HB ASP 2 2HB ASP 2 -14.460 7.600 6.776 9 2HB ASP 2 1HB ASP 2 -14.609 6.889 5.168 10 H VAL 3 H VAL 3 -14.315 3.526 6.090 11 HA VAL 3 HA VAL 3 -12.521 2.724 3.923 12 HB VAL 3 HB VAL 3 -13.388 1.074 5.556 13 1HG1 VAL 3 1HG1 VAL 3 -16.078 1.271 4.226 14 2HG1 VAL 3 2HG1 VAL 3 -15.690 2.338 5.577 15 3HG1 VAL 3 3HG1 VAL 3 -15.663 0.589 5.799 16 1HG2 VAL 3 1HG2 VAL 3 -13.520 0.876 2.666 17 2HG2 VAL 3 2HG2 VAL 3 -14.705 -0.195 3.415 18 3HG2 VAL 3 3HG2 VAL 3 -12.999 -0.334 3.838 19 H GLU 4 H GLU 4 -15.712 4.119 4.232 20 HA GLU 4 HA GLU 4 -16.630 3.485 1.572 21 1HB GLU 4 2HB GLU 4 -17.402 5.646 3.550 22 2HB GLU 4 1HB GLU 4 -18.210 5.434 1.996 23 1HG GLU 4 2HG GLU 4 -19.132 3.384 2.598 24 2HG GLU 4 1HG GLU 4 -17.883 3.061 3.800 25 H LYS 5 H LYS 5 -14.491 5.894 2.889 26 HA LYS 5 HA LYS 5 -14.564 7.483 0.389 27 1HB LYS 5 2HB LYS 5 -13.702 7.929 3.158 28 2HB LYS 5 1HB LYS 5 -12.540 8.520 1.971 29 1HG LYS 5 2HG LYS 5 -14.923 9.353 0.884 30 2HG LYS 5 1HG LYS 5 -15.233 9.520 2.613 31 1HD LYS 5 2HD LYS 5 -12.636 10.522 1.494 32 2HD LYS 5 1HD LYS 5 -14.094 11.494 1.286 33 1HE LYS 5 2HE LYS 5 -13.446 12.309 3.335 34 2HE LYS 5 1HE LYS 5 -14.360 10.908 3.895 35 1HZ LYS 5 1HZ LYS 5 -12.515 9.898 4.592 36 2HZ LYS 5 2HZ LYS 5 -11.770 11.420 4.477 37 3HZ LYS 5 3HZ LYS 5 -11.637 10.307 3.200 38 H GLY 6 H GLY 6 -12.207 5.646 2.352 39 1HA GLY 6 1HA GLY 6 -9.997 5.894 0.597 40 2HA GLY 6 2HA GLY 6 -10.243 4.541 1.700 41 H LYS 7 H LYS 7 -12.756 3.691 0.537 42 HA LYS 7 HA LYS 7 -11.759 1.968 -1.533 43 1HB LYS 7 2HB LYS 7 -13.630 1.250 -0.174 44 2HB LYS 7 1HB LYS 7 -14.582 2.651 -0.664 45 1HG LYS 7 2HG LYS 7 -15.396 1.396 -2.349 46 2HG LYS 7 1HG LYS 7 -13.787 1.451 -3.070 47 1HD LYS 7 2HD LYS 7 -14.240 -0.859 -2.896 48 2HD LYS 7 1HD LYS 7 -13.233 -0.523 -1.487 49 1HE LYS 7 2HE LYS 7 -14.922 -0.945 -0.028 50 2HE LYS 7 1HE LYS 7 -16.114 -0.113 -1.026 51 1HZ LYS 7 1HZ LYS 7 -15.511 -2.897 -0.875 52 2HZ LYS 7 2HZ LYS 7 -15.422 -2.327 -2.473 53 3HZ LYS 7 3HZ LYS 7 -16.848 -2.120 -1.573 54 H LYS 8 H LYS 8 -13.811 4.885 -1.614 55 HA LYS 8 HA LYS 8 -14.206 4.876 -4.453 56 1HB LYS 8 2HB LYS 8 -14.991 6.484 -2.274 57 2HB LYS 8 1HB LYS 8 -14.114 7.557 -3.364 58 1HG LYS 8 2HG LYS 8 -15.533 6.494 -5.245 59 2HG LYS 8 1HG LYS 8 -16.562 5.892 -3.945 60 1HD LYS 8 2HD LYS 8 -15.796 8.808 -4.198 61 2HD LYS 8 1HD LYS 8 -17.251 8.138 -4.937 62 1HE LYS 8 2HE LYS 8 -16.625 7.801 -1.997 63 2HE LYS 8 1HE LYS 8 -17.554 9.165 -2.617 64 1HZ LYS 8 1HZ LYS 8 -18.235 6.308 -3.057 65 2HZ LYS 8 2HZ LYS 8 -19.152 7.651 -3.549 66 3HZ LYS 8 3HZ LYS 8 -18.963 7.310 -1.897 67 H ILE 9 H ILE 9 -11.554 5.908 -2.426 68 HA ILE 9 HA ILE 9 -10.286 7.577 -4.433 69 HB ILE 9 HB ILE 9 -9.281 6.275 -1.891 70 1HG1 ILE 9 2HG1 ILE 9 -9.314 9.211 -2.300 71 2HG1 ILE 9 1HG1 ILE 9 -10.899 8.440 -2.241 72 1HG2 ILE 9 1HG2 ILE 9 -7.201 7.442 -2.172 73 2HG2 ILE 9 2HG2 ILE 9 -7.802 8.297 -3.593 74 3HG2 ILE 9 3HG2 ILE 9 -7.486 6.565 -3.675 75 1HD1 ILE 9 1HD1 ILE 9 -10.508 7.553 -0.072 76 2HD1 ILE 9 2HD1 ILE 9 -9.913 9.211 0.003 77 3HD1 ILE 9 3HD1 ILE 9 -8.776 7.873 -0.168 78 H PHE 10 H PHE 10 -9.172 4.437 -3.079 79 HA PHE 10 HA PHE 10 -7.354 3.864 -5.170 80 1HB PHE 10 2HB PHE 10 -7.584 2.607 -2.974 81 2HB PHE 10 1HB PHE 10 -8.980 1.787 -3.677 82 HD1 PHE 10 HD1 PHE 10 -5.325 2.152 -3.763 83 HD2 PHE 10 HD2 PHE 10 -8.719 0.241 -5.580 84 HE1 PHE 10 HE1 PHE 10 -3.814 0.556 -4.913 85 HE2 PHE 10 HE2 PHE 10 -7.195 -1.355 -6.727 86 HZ PHE 10 HZ PHE 10 -4.760 -1.196 -6.398 87 H ILE 11 H ILE 11 -10.822 3.636 -5.049 88 HA ILE 11 HA ILE 11 -11.134 1.847 -7.299 89 HB ILE 11 HB ILE 11 -12.935 3.726 -5.790 90 1HG1 ILE 11 2HG1 ILE 11 -13.010 0.761 -6.436 91 2HG1 ILE 11 1HG1 ILE 11 -12.490 1.470 -4.908 92 1HG2 ILE 11 1HG2 ILE 11 -13.550 3.996 -8.174 93 2HG2 ILE 11 2HG2 ILE 11 -14.799 3.123 -7.285 94 3HG2 ILE 11 3HG2 ILE 11 -13.685 2.244 -8.331 95 1HD1 ILE 11 1HD1 ILE 11 -14.788 2.551 -4.761 96 2HD1 ILE 11 2HD1 ILE 11 -14.769 0.795 -4.595 97 3HD1 ILE 11 3HD1 ILE 11 -15.263 1.531 -6.119 98 H MET 12 H MET 12 -11.031 5.388 -6.937 99 HA MET 12 HA MET 12 -11.064 5.595 -9.917 100 1HB MET 12 2HB MET 12 -11.851 7.823 -9.685 101 2HB MET 12 1HB MET 12 -12.742 6.914 -8.465 102 1HG MET 12 2HG MET 12 -10.784 7.576 -6.878 103 2HG MET 12 1HG MET 12 -10.432 8.809 -8.088 104 1HE MET 12 1HE MET 12 -13.642 10.718 -8.499 105 2HE MET 12 2HE MET 12 -12.296 9.900 -9.286 106 3HE MET 12 3HE MET 12 -11.981 11.230 -8.175 107 H LYS 13 H LYS 13 -8.769 4.994 -7.905 108 HA LYS 13 HA LYS 13 -6.947 7.143 -8.916 109 1HB LYS 13 2HB LYS 13 -7.416 6.925 -6.351 110 2HB LYS 13 1HB LYS 13 -6.349 5.523 -6.452 111 1HG LYS 13 2HG LYS 13 -4.916 7.347 -5.929 112 2HG LYS 13 1HG LYS 13 -4.693 7.073 -7.657 113 1HD LYS 13 2HD LYS 13 -6.912 8.861 -7.268 114 2HD LYS 13 1HD LYS 13 -5.514 9.471 -6.382 115 1HE LYS 13 2HE LYS 13 -4.162 9.037 -8.514 116 2HE LYS 13 1HE LYS 13 -5.711 8.830 -9.330 117 1HZ LYS 13 1HZ LYS 13 -4.476 11.183 -9.016 118 2HZ LYS 13 2HZ LYS 13 -5.504 11.187 -7.662 119 3HZ LYS 13 3HZ LYS 13 -6.151 11.011 -9.224 120 H CYS 14 H CYS 14 -6.706 3.819 -7.578 121 HA CYS 14 HA CYS 14 -4.927 3.194 -9.901 122 1HB CYS 14 2HB CYS 14 -4.482 1.516 -7.536 123 2HB CYS 14 1HB CYS 14 -3.308 2.349 -8.547 124 H SER 15 H SER 15 -7.842 2.812 -9.562 125 HA SER 15 HA SER 15 -8.177 -0.086 -9.172 126 1HB SER 15 2HB SER 15 -9.854 1.909 -8.654 127 2HB SER 15 1HB SER 15 -10.312 1.661 -10.335 128 HG SER 15 HG SER 15 -11.555 0.240 -9.286 129 H GLN 16 H GLN 16 -6.824 1.578 -11.575 130 HA GLN 16 HA GLN 16 -8.200 0.127 -13.781 131 1HB GLN 16 2HB GLN 16 -7.892 2.466 -14.271 132 2HB GLN 16 1HB GLN 16 -6.202 2.406 -13.766 133 1HG GLN 16 2HG GLN 16 -6.524 2.359 -16.265 134 2HG GLN 16 1HG GLN 16 -5.625 0.981 -15.631 135 1HE2 GLN 16 1HE2 GLN 16 -8.792 1.974 -16.924 136 2HE2 GLN 16 2HE2 GLN 16 -9.343 0.399 -17.241 137 H CYS 17 H CYS 17 -4.891 0.840 -12.635 138 HA CYS 17 HA CYS 17 -3.856 -1.482 -14.109 139 1HB CYS 17 2HB CYS 17 -2.666 0.756 -12.504 140 2HB CYS 17 1HB CYS 17 -1.721 -0.718 -12.714 141 H HIS 18 H HIS 18 -4.709 -0.585 -10.800 142 HA HIS 18 HA HIS 18 -3.983 -3.362 -9.934 143 1HB HIS 18 2HB HIS 18 -4.363 -0.887 -8.227 144 2HB HIS 18 1HB HIS 18 -3.948 -2.491 -7.634 145 HD1 HIS 18 HD1 HIS 18 -1.512 -3.158 -7.706 146 HD2 HIS 18 HD2 HIS 18 -2.283 0.334 -9.822 147 HE1 HIS 18 HE1 HIS 18 0.743 -2.184 -8.320 148 H THR 19 H THR 19 -6.007 -4.335 -10.495 149 HA THR 19 HA THR 19 -8.443 -3.121 -9.337 150 HB THR 19 HB THR 19 -9.669 -4.817 -10.569 151 HG1 THR 19 HG1 THR 19 -8.525 -6.632 -10.382 152 1HG2 THR 19 1HG2 THR 19 -7.341 -3.726 -12.175 153 2HG2 THR 19 2HG2 THR 19 -8.898 -2.939 -11.915 154 3HG2 THR 19 3HG2 THR 19 -8.805 -4.414 -12.877 155 H VAL 20 H VAL 20 -8.266 -3.449 -7.110 156 HA VAL 20 HA VAL 20 -7.459 -6.063 -6.059 157 HB VAL 20 HB VAL 20 -7.552 -5.040 -3.915 158 1HG1 VAL 20 1HG1 VAL 20 -6.753 -3.064 -6.056 159 2HG1 VAL 20 2HG1 VAL 20 -5.709 -4.134 -5.122 160 3HG1 VAL 20 3HG1 VAL 20 -6.484 -2.756 -4.341 161 1HG2 VAL 20 1HG2 VAL 20 -9.596 -4.005 -3.629 162 2HG2 VAL 20 2HG2 VAL 20 -9.580 -3.301 -5.246 163 3HG2 VAL 20 3HG2 VAL 20 -8.618 -2.574 -3.959 164 H GLU 21 H GLU 21 -9.710 -6.439 -7.650 165 HA GLU 21 HA GLU 21 -11.509 -7.705 -5.799 166 1HB GLU 21 2HB GLU 21 -12.143 -4.953 -6.696 167 2HB GLU 21 1HB GLU 21 -13.463 -6.116 -6.810 168 1HG GLU 21 2HG GLU 21 -12.484 -6.735 -4.352 169 2HG GLU 21 1HG GLU 21 -12.128 -5.009 -4.410 170 H LYS 22 H LYS 22 -10.044 -8.107 -8.398 171 HA LYS 22 HA LYS 22 -12.332 -8.684 -10.213 172 1HB LYS 22 2HB LYS 22 -10.097 -7.495 -10.915 173 2HB LYS 22 1HB LYS 22 -9.451 -9.137 -10.938 174 1HG LYS 22 2HG LYS 22 -10.264 -9.195 -13.061 175 2HG LYS 22 1HG LYS 22 -11.819 -9.467 -12.276 176 1HD LYS 22 2HD LYS 22 -12.592 -7.487 -13.012 177 2HD LYS 22 1HD LYS 22 -11.222 -6.645 -12.286 178 1HE LYS 22 2HE LYS 22 -9.924 -6.810 -14.235 179 2HE LYS 22 1HE LYS 22 -10.880 -8.148 -14.872 180 1HZ LYS 22 1HZ LYS 22 -12.028 -5.454 -14.456 181 2HZ LYS 22 2HZ LYS 22 -12.643 -6.728 -15.397 182 3HZ LYS 22 3HZ LYS 22 -11.256 -5.887 -15.902 183 H GLY 23 H GLY 23 -10.723 -10.207 -7.773 184 1HA GLY 23 2HA GLY 23 -11.317 -12.541 -7.270 185 2HA GLY 23 1HA GLY 23 -11.242 -12.879 -9.000 186 H GLY 24 H GLY 24 -8.722 -10.937 -8.737 187 1HA GLY 24 1HA GLY 24 -6.517 -11.426 -7.603 188 2HA GLY 24 2HA GLY 24 -6.856 -13.129 -7.915 189 H LYS 25 H LYS 25 -7.932 -11.145 -10.443 190 HA LYS 25 HA LYS 25 -5.724 -12.106 -12.153 191 1HB LYS 25 2HB LYS 25 -8.239 -12.157 -12.764 192 2HB LYS 25 1HB LYS 25 -8.063 -10.427 -13.058 193 1HG LYS 25 2HG LYS 25 -6.277 -10.853 -14.679 194 2HG LYS 25 1HG LYS 25 -6.372 -12.585 -14.355 195 1HD LYS 25 2HD LYS 25 -8.937 -11.295 -15.077 196 2HD LYS 25 1HD LYS 25 -7.734 -11.353 -16.366 197 1HE LYS 25 2HE LYS 25 -7.947 -13.863 -14.853 198 2HE LYS 25 1HE LYS 25 -9.431 -13.421 -15.698 199 1HZ LYS 25 1HZ LYS 25 -6.861 -13.216 -17.105 200 2HZ LYS 25 2HZ LYS 25 -8.414 -13.508 -17.731 201 3HZ LYS 25 3HZ LYS 25 -7.576 -14.743 -16.917 202 H HIS 26 H HIS 26 -4.641 -10.557 -13.634 203 HA HIS 26 HA HIS 26 -4.648 -7.749 -12.655 204 1HB HIS 26 2HB HIS 26 -1.983 -8.139 -13.216 205 2HB HIS 26 1HB HIS 26 -2.674 -8.147 -11.597 206 HD1 HIS 26 HD1 HIS 26 -2.931 -10.869 -14.255 207 HD2 HIS 26 HD2 HIS 26 -1.340 -10.291 -10.444 208 HE1 HIS 26 HE1 HIS 26 -2.079 -13.126 -13.484 209 H LYS 27 H LYS 27 -3.383 -6.328 -14.219 210 HA LYS 27 HA LYS 27 -3.322 -7.389 -16.971 211 1HB LYS 27 2HB LYS 27 -5.517 -6.415 -16.886 212 2HB LYS 27 1HB LYS 27 -4.913 -4.988 -16.042 213 1HG LYS 27 2HG LYS 27 -4.317 -3.988 -17.976 214 2HG LYS 27 1HG LYS 27 -3.491 -5.439 -18.545 215 1HD LYS 27 2HD LYS 27 -5.173 -5.501 -20.083 216 2HD LYS 27 1HD LYS 27 -6.094 -6.222 -18.763 217 1HE LYS 27 2HE LYS 27 -7.000 -4.056 -18.140 218 2HE LYS 27 1HE LYS 27 -5.975 -3.245 -19.325 219 1HZ LYS 27 1HZ LYS 27 -8.471 -4.596 -19.698 220 2HZ LYS 27 2HZ LYS 27 -7.274 -5.149 -20.770 221 3HZ LYS 27 3HZ LYS 27 -7.673 -3.500 -20.717 222 H THR 28 H THR 28 -3.236 -3.997 -16.000 223 HA THR 28 HA THR 28 -0.435 -3.876 -16.973 224 HB THR 28 HB THR 28 -2.431 -1.699 -16.278 225 HG1 THR 28 HG1 THR 28 -2.945 -2.451 -18.228 226 1HG2 THR 28 1HG2 THR 28 -0.705 -0.168 -17.239 227 2HG2 THR 28 2HG2 THR 28 0.421 -1.526 -17.290 228 3HG2 THR 28 3HG2 THR 28 -0.179 -0.937 -15.740 229 H GLY 29 H GLY 29 -2.319 -3.697 -14.054 230 1HA GLY 29 2HA GLY 29 0.156 -2.980 -12.534 231 2HA GLY 29 1HA GLY 29 -1.466 -2.596 -11.973 232 HA PRO 30 HA PRO 30 0.051 -7.006 -10.775 233 1HB PRO 30 2HB PRO 30 1.126 -6.457 -8.319 234 2HB PRO 30 1HB PRO 30 2.071 -6.569 -9.806 235 1HG PRO 30 2HG PRO 30 1.158 -4.109 -8.345 236 2HG PRO 30 1HG PRO 30 2.668 -4.394 -9.231 237 1HD PRO 30 2HD PRO 30 0.558 -2.965 -10.291 238 2HD PRO 30 1HD PRO 30 1.732 -3.861 -11.275 239 H ASN 31 H ASN 31 -1.542 -8.161 -9.873 240 HA ASN 31 HA ASN 31 -3.922 -7.100 -8.887 241 1HB ASN 31 2HB ASN 31 -3.832 -9.411 -9.543 242 2HB ASN 31 1HB ASN 31 -2.621 -9.772 -8.314 243 1HD2 ASN 31 1HD2 ASN 31 -5.827 -8.095 -8.274 244 2HD2 ASN 31 2HD2 ASN 31 -6.423 -8.968 -6.946 245 H LEU 32 H LEU 32 -3.839 -5.577 -7.276 246 HA LEU 32 HA LEU 32 -2.206 -5.947 -4.888 247 1HB LEU 32 2HB LEU 32 -3.773 -3.799 -6.114 248 2HB LEU 32 1HB LEU 32 -3.987 -3.876 -4.368 249 HG LEU 32 HG LEU 32 -1.731 -3.440 -3.935 250 1HD1 LEU 32 1HD1 LEU 32 -0.445 -4.970 -5.076 251 2HD1 LEU 32 2HD1 LEU 32 -0.126 -3.551 -6.074 252 3HD1 LEU 32 3HD1 LEU 32 -1.326 -4.738 -6.584 253 1HD2 LEU 32 1HD2 LEU 32 -2.432 -1.383 -4.798 254 2HD2 LEU 32 2HD2 LEU 32 -2.631 -2.025 -6.426 255 3HD2 LEU 32 3HD2 LEU 32 -1.016 -1.724 -5.790 256 H HIS 33 H HIS 33 -3.553 -8.144 -4.674 257 HA HIS 33 HA HIS 33 -6.138 -7.701 -3.298 258 1HB HIS 33 2HB HIS 33 -5.881 -9.523 -5.001 259 2HB HIS 33 1HB HIS 33 -4.713 -10.301 -3.934 260 HD1 HIS 33 HD1 HIS 33 -7.522 -8.615 -2.226 261 HD2 HIS 33 HD2 HIS 33 -6.686 -12.440 -3.655 262 HE1 HIS 33 HE1 HIS 33 -9.237 -10.160 -1.184 263 H GLY 34 H GLY 34 -2.805 -8.356 -2.565 264 1HA GLY 34 2HA GLY 34 -3.409 -8.226 0.304 265 2HA GLY 34 1HA GLY 34 -2.710 -9.754 -0.232 266 H LEU 35 H LEU 35 -1.836 -6.859 -1.916 267 HA LEU 35 HA LEU 35 0.896 -7.116 -1.833 268 1HB LEU 35 2HB LEU 35 -0.186 -5.346 -3.106 269 2HB LEU 35 1HB LEU 35 -0.681 -4.538 -1.618 270 HG LEU 35 HG LEU 35 2.208 -5.121 -1.810 271 1HD1 LEU 35 1HD1 LEU 35 2.539 -3.094 -3.291 272 2HD1 LEU 35 2HD1 LEU 35 0.820 -3.179 -3.674 273 3HD1 LEU 35 3HD1 LEU 35 1.890 -4.510 -4.118 274 1HD2 LEU 35 1HD2 LEU 35 1.702 -3.778 0.004 275 2HD2 LEU 35 2HD2 LEU 35 0.359 -2.990 -0.822 276 3HD2 LEU 35 3HD2 LEU 35 2.018 -2.527 -1.198 277 H PHE 36 H PHE 36 -1.135 -5.818 0.760 278 HA PHE 36 HA PHE 36 1.052 -4.864 2.382 279 1HB PHE 36 2HB PHE 36 -1.844 -5.499 2.900 280 2HB PHE 36 1HB PHE 36 -0.764 -5.110 4.239 281 HD1 PHE 36 HD1 PHE 36 -0.153 -3.683 0.919 282 HD2 PHE 36 HD2 PHE 36 -2.014 -3.036 4.737 283 HE1 PHE 36 HE1 PHE 36 -0.380 -1.269 0.401 284 HE2 PHE 36 HE2 PHE 36 -2.241 -0.623 4.217 285 HZ PHE 36 HZ PHE 36 -1.425 0.260 2.049 286 H GLY 37 H GLY 37 2.371 -5.973 3.751 287 1HA GLY 37 2HA GLY 37 2.972 -7.685 5.301 288 2HA GLY 37 1HA GLY 37 1.527 -8.578 4.838 289 H ARG 38 H ARG 38 2.591 -7.928 1.913 290 HA ARG 38 HA ARG 38 4.599 -10.136 1.895 291 1HB ARG 38 2HB ARG 38 3.550 -10.618 -0.441 292 2HB ARG 38 1HB ARG 38 2.719 -11.204 0.996 293 1HG ARG 38 2HG ARG 38 0.924 -9.901 0.586 294 2HG ARG 38 1HG ARG 38 1.933 -8.478 0.327 295 1HD ARG 38 2HD ARG 38 1.442 -10.659 -1.717 296 2HD ARG 38 1HD ARG 38 0.679 -9.070 -1.721 297 HE ARG 38 HE ARG 38 3.569 -8.864 -1.660 298 1HH1 ARG 38 1HH2 ARG 38 1.549 -10.414 -3.840 299 2HH1 ARG 38 2HH2 ARG 38 1.979 -9.435 -5.204 300 1HH2 ARG 38 1HH1 ARG 38 3.822 -7.171 -3.333 301 2HH2 ARG 38 2HH1 ARG 38 3.265 -7.598 -4.917 302 H LYS 39 H LYS 39 6.196 -9.992 0.221 303 HA LYS 39 HA LYS 39 6.733 -7.213 -0.608 304 1HB LYS 39 2HB LYS 39 8.914 -8.099 -1.332 305 2HB LYS 39 1HB LYS 39 8.561 -8.602 0.322 306 1HG LYS 39 2HG LYS 39 7.421 -10.640 -1.101 307 2HG LYS 39 1HG LYS 39 8.795 -10.233 -2.130 308 1HD LYS 39 2HD LYS 39 9.959 -10.177 0.344 309 2HD LYS 39 1HD LYS 39 8.756 -11.449 0.561 310 1HE LYS 39 2HE LYS 39 10.145 -12.859 -0.510 311 2HE LYS 39 1HE LYS 39 9.896 -11.910 -1.976 312 1HZ LYS 39 1HZ LYS 39 12.271 -12.235 -0.949 313 2HZ LYS 39 2HZ LYS 39 11.802 -10.913 0.009 314 3HZ LYS 39 3HZ LYS 39 11.827 -10.773 -1.684 315 H THR 40 H THR 40 7.779 -7.137 -2.961 316 HA THR 40 HA THR 40 5.654 -7.648 -4.817 317 HB THR 40 HB THR 40 7.030 -6.649 -6.424 318 HG1 THR 40 HG1 THR 40 9.262 -6.872 -6.399 319 1HG2 THR 40 1HG2 THR 40 8.764 -5.469 -4.433 320 2HG2 THR 40 2HG2 THR 40 7.124 -5.619 -3.803 321 3HG2 THR 40 3HG2 THR 40 7.415 -4.738 -5.303 322 H GLY 41 H GLY 41 6.877 -8.750 -7.069 323 1HA GLY 41 2HA GLY 41 7.280 -10.834 -8.062 324 2HA GLY 41 1HA GLY 41 8.301 -11.164 -6.663 325 H GLN 42 H GLN 42 5.135 -11.620 -8.065 326 HA GLN 42 HA GLN 42 4.639 -13.807 -6.150 327 1HB GLN 42 2HB GLN 42 3.456 -11.254 -5.769 328 2HB GLN 42 1HB GLN 42 2.187 -12.320 -6.373 329 1HG GLN 42 2HG GLN 42 2.221 -12.519 -3.966 330 2HG GLN 42 1HG GLN 42 2.891 -14.008 -4.636 331 1HE2 GLN 42 1HE2 GLN 42 4.130 -10.743 -3.690 332 2HE2 GLN 42 2HE2 GLN 42 5.529 -11.337 -2.933 333 H ALA 43 H ALA 43 3.260 -11.877 -8.829 334 HA ALA 43 HA ALA 43 1.739 -14.170 -9.816 335 1HB ALA 43 1HB ALA 43 0.744 -12.049 -10.235 336 2HB ALA 43 2HB ALA 43 1.357 -12.583 -11.800 337 3HB ALA 43 3HB ALA 43 2.250 -11.382 -10.866 338 HA PRO 44 HA PRO 44 5.009 -15.798 -12.291 339 1HB PRO 44 2HB PRO 44 3.463 -17.463 -13.838 340 2HB PRO 44 1HB PRO 44 3.898 -17.812 -12.156 341 1HG PRO 44 2HG PRO 44 1.284 -16.909 -13.269 342 2HG PRO 44 1HG PRO 44 1.616 -17.838 -11.798 343 1HD PRO 44 2HD PRO 44 1.011 -15.072 -11.919 344 2HD PRO 44 1HD PRO 44 1.648 -15.945 -10.508 345 H GLY 45 H GLY 45 2.501 -16.106 -14.715 346 1HA GLY 45 2HA GLY 45 3.865 -15.117 -16.887 347 2HA GLY 45 1HA GLY 45 2.119 -14.924 -16.725 348 H TYR 46 H TYR 46 2.328 -13.226 -14.348 349 HA TYR 46 HA TYR 46 2.813 -10.680 -15.727 350 1HB TYR 46 2HB TYR 46 0.893 -11.089 -14.128 351 2HB TYR 46 1HB TYR 46 2.071 -11.166 -12.826 352 HD1 TYR 46 HD1 TYR 46 3.743 -8.835 -14.539 353 HD2 TYR 46 HD2 TYR 46 -0.132 -9.229 -12.766 354 HE1 TYR 46 HE1 TYR 46 3.626 -6.399 -14.304 355 HE2 TYR 46 HE2 TYR 46 -0.223 -6.775 -12.516 356 HH TYR 46 HH TYR 46 1.717 -4.670 -14.131 357 H SER 47 H SER 47 4.895 -10.016 -15.880 358 HA SER 47 HA SER 47 6.916 -10.773 -13.905 359 1HB SER 47 2HB SER 47 8.204 -8.919 -15.291 360 2HB SER 47 1HB SER 47 7.886 -10.493 -16.014 361 HG SER 47 HG SER 47 7.084 -9.159 -17.495 362 H TYR 48 H TYR 48 5.678 -9.858 -12.063 363 HA TYR 48 HA TYR 48 4.813 -7.257 -11.652 364 1HB TYR 48 2HB TYR 48 5.946 -9.394 -9.966 365 2HB TYR 48 1HB TYR 48 6.025 -7.787 -9.270 366 HD1 TYR 48 HD1 TYR 48 3.388 -9.074 -11.564 367 HD2 TYR 48 HD2 TYR 48 4.450 -7.973 -7.570 368 HE1 TYR 48 HE1 TYR 48 1.017 -9.306 -10.867 369 HE2 TYR 48 HE2 TYR 48 2.080 -8.196 -6.862 370 HH TYR 48 HH TYR 48 -0.257 -9.725 -8.784 371 H THR 49 H THR 49 6.120 -5.689 -10.034 372 HA THR 49 HA THR 49 8.250 -4.520 -11.510 373 HB THR 49 HB THR 49 8.209 -4.148 -8.555 374 HG1 THR 49 HG1 THR 49 6.213 -2.753 -9.709 375 1HG2 THR 49 1HG2 THR 49 8.403 -1.813 -9.193 376 2HG2 THR 49 2HG2 THR 49 8.032 -2.206 -10.872 377 3HG2 THR 49 3HG2 THR 49 9.545 -2.755 -10.152 378 H ALA 50 H ALA 50 9.721 -6.220 -11.994 379 HA ALA 50 HA ALA 50 10.943 -7.997 -10.192 380 1HB ALA 50 1HB ALA 50 11.200 -7.956 -12.719 381 2HB ALA 50 2HB ALA 50 12.691 -8.252 -11.824 382 3HB ALA 50 3HB ALA 50 12.371 -6.655 -12.502 383 H ALA 51 H ALA 51 11.869 -4.662 -11.036 384 HA ALA 51 HA ALA 51 14.262 -4.514 -9.549 385 1HB ALA 51 1HB ALA 51 13.665 -2.049 -9.314 386 2HB ALA 51 2HB ALA 51 12.144 -2.432 -10.121 387 3HB ALA 51 3HB ALA 51 13.673 -2.671 -10.962 388 H ASN 52 H ASN 52 11.210 -3.054 -8.354 389 HA ASN 52 HA ASN 52 11.700 -2.800 -5.684 390 1HB ASN 52 2HB ASN 52 9.331 -3.423 -7.271 391 2HB ASN 52 1HB ASN 52 9.228 -4.089 -5.644 392 1HD2 ASN 52 1HD2 ASN 52 7.951 -1.610 -7.043 393 2HD2 ASN 52 2HD2 ASN 52 8.232 -0.354 -5.936 394 H LYS 53 H LYS 53 10.984 -5.901 -7.286 395 HA LYS 53 HA LYS 53 10.840 -7.555 -5.009 396 1HB LYS 53 2HB LYS 53 10.429 -8.208 -7.438 397 2HB LYS 53 1HB LYS 53 12.178 -8.362 -7.599 398 1HG LYS 53 2HG LYS 53 11.912 -9.834 -5.404 399 2HG LYS 53 1HG LYS 53 10.268 -10.032 -6.011 400 1HD LYS 53 2HD LYS 53 11.082 -11.665 -7.340 401 2HD LYS 53 1HD LYS 53 11.866 -10.387 -8.269 402 1HE LYS 53 2HE LYS 53 13.572 -11.978 -7.646 403 2HE LYS 53 1HE LYS 53 13.813 -10.531 -6.668 404 1HZ LYS 53 1HZ LYS 53 13.603 -11.777 -4.869 405 2HZ LYS 53 2HZ LYS 53 13.305 -13.158 -5.812 406 3HZ LYS 53 3HZ LYS 53 12.015 -12.172 -5.316 407 H ASN 54 H ASN 54 13.756 -7.032 -7.032 408 HA ASN 54 HA ASN 54 15.527 -8.310 -5.196 409 1HB ASN 54 2HB ASN 54 16.281 -8.041 -7.444 410 2HB ASN 54 1HB ASN 54 15.974 -6.305 -7.415 411 1HD2 ASN 54 1HD2 ASN 54 17.833 -5.080 -7.106 412 2HD2 ASN 54 2HD2 ASN 54 19.221 -5.600 -6.278 413 H LYS 55 H LYS 55 14.094 -5.168 -5.202 414 HA LYS 55 HA LYS 55 16.060 -3.770 -3.669 415 1HB LYS 55 2HB LYS 55 14.081 -2.757 -4.905 416 2HB LYS 55 1HB LYS 55 13.075 -3.301 -3.562 417 1HG LYS 55 2HG LYS 55 13.628 -1.106 -2.937 418 2HG LYS 55 1HG LYS 55 14.820 -2.071 -2.066 419 1HD LYS 55 2HD LYS 55 15.550 -1.241 -4.827 420 2HD LYS 55 1HD LYS 55 15.510 0.030 -3.606 421 1HE LYS 55 2HE LYS 55 17.451 -0.685 -2.727 422 2HE LYS 55 1HE LYS 55 16.802 -2.312 -2.525 423 1HZ LYS 55 1HZ LYS 55 18.798 -1.733 -4.171 424 2HZ LYS 55 2HZ LYS 55 17.491 -1.532 -5.239 425 3HZ LYS 55 3HZ LYS 55 17.719 -3.014 -4.440 426 H GLY 56 H GLY 56 14.135 -6.408 -2.820 427 1HA GLY 56 1HA GLY 56 13.582 -7.377 -0.751 428 2HA GLY 56 2HA GLY 56 15.045 -6.585 -0.163 429 H ILE 57 H ILE 57 12.020 -5.182 -1.409 430 HA ILE 57 HA ILE 57 11.833 -3.628 1.133 431 HB ILE 57 HB ILE 57 12.066 -2.469 -1.162 432 1HG1 ILE 57 2HG1 ILE 57 11.294 -1.395 0.986 433 2HG1 ILE 57 1HG1 ILE 57 10.628 -0.655 -0.469 434 1HG2 ILE 57 1HG2 ILE 57 10.140 -2.318 -2.551 435 2HG2 ILE 57 2HG2 ILE 57 9.106 -3.062 -1.330 436 3HG2 ILE 57 3HG2 ILE 57 10.306 -4.035 -2.182 437 1HD1 ILE 57 1HD1 ILE 57 8.787 -2.641 0.096 438 2HD1 ILE 57 2HD1 ILE 57 8.608 -0.937 0.508 439 3HD1 ILE 57 3HD1 ILE 57 9.251 -2.069 1.697 440 H ILE 58 H ILE 58 10.294 -4.377 2.518 441 HA ILE 58 HA ILE 58 8.120 -6.083 1.505 442 HB ILE 58 HB ILE 58 9.395 -6.441 3.713 443 1HG1 ILE 58 2HG1 ILE 58 7.263 -7.585 3.070 444 2HG1 ILE 58 1HG1 ILE 58 7.415 -7.340 4.809 445 1HG2 ILE 58 1HG2 ILE 58 7.420 -4.583 4.960 446 2HG2 ILE 58 2HG2 ILE 58 8.862 -3.876 4.233 447 3HG2 ILE 58 3HG2 ILE 58 9.020 -5.068 5.523 448 1HD1 ILE 58 1HD1 ILE 58 5.256 -6.568 4.486 449 2HD1 ILE 58 2HD1 ILE 58 5.596 -5.986 2.856 450 3HD1 ILE 58 3HD1 ILE 58 6.153 -5.067 4.254 451 H TRP 59 H TRP 59 6.422 -5.033 0.584 452 HA TRP 59 HA TRP 59 5.807 -2.323 0.782 453 1HB TRP 59 2HB TRP 59 3.990 -4.687 0.295 454 2HB TRP 59 1HB TRP 59 3.447 -3.015 0.146 455 HD1 TRP 59 HD1 TRP 59 4.290 -5.507 -2.108 456 HE1 TRP 59 HE1 TRP 59 5.574 -4.668 -4.181 457 HE3 TRP 59 HE3 TRP 59 5.853 -0.949 -0.400 458 HZ2 TRP 59 HZ2 TRP 59 7.073 -2.377 -4.998 459 HZ3 TRP 59 HZ3 TRP 59 7.209 0.534 -1.844 460 HH2 TRP 59 HH2 TRP 59 7.819 -0.173 -4.137 461 H GLY 60 H GLY 60 5.746 -1.358 2.756 462 1HA GLY 60 1HA GLY 60 3.708 -2.389 4.693 463 2HA GLY 60 2HA GLY 60 5.234 -1.680 5.222 464 H GLU 61 H GLU 61 3.620 -0.217 6.393 465 HA GLU 61 HA GLU 61 1.995 1.640 4.930 466 1HB GLU 61 2HB GLU 61 3.275 1.922 7.666 467 2HB GLU 61 1HB GLU 61 1.981 2.942 7.035 468 1HG GLU 61 2HG GLU 61 1.778 -0.066 7.358 469 2HG GLU 61 1HG GLU 61 1.143 1.104 8.514 470 H ASP 62 H ASP 62 4.879 2.574 6.815 471 HA ASP 62 HA ASP 62 5.344 4.944 5.304 472 1HB ASP 62 2HB ASP 62 6.229 4.506 7.604 473 2HB ASP 62 1HB ASP 62 7.373 3.361 6.903 474 H THR 63 H THR 63 6.587 1.651 4.939 475 HA THR 63 HA THR 63 8.664 2.213 3.090 476 HB THR 63 HB THR 63 7.528 -0.235 2.286 477 HG1 THR 63 HG1 THR 63 6.961 -1.203 4.164 478 1HG2 THR 63 1HG2 THR 63 9.408 -1.104 3.841 479 2HG2 THR 63 2HG2 THR 63 9.751 0.601 4.137 480 3HG2 THR 63 3HG2 THR 63 9.862 -0.051 2.502 481 H LEU 64 H LEU 64 5.204 1.576 2.536 482 HA LEU 64 HA LEU 64 5.441 1.784 -0.347 483 1HB LEU 64 2HB LEU 64 3.493 0.880 1.374 484 2HB LEU 64 1HB LEU 64 2.810 2.405 0.809 485 HG LEU 64 HG LEU 64 3.959 0.311 -1.050 486 1HD1 LEU 64 1HD1 LEU 64 1.862 -0.306 0.397 487 2HD1 LEU 64 2HD1 LEU 64 1.829 -0.606 -1.341 488 3HD1 LEU 64 3HD1 LEU 64 1.021 0.814 -0.675 489 1HD2 LEU 64 1HD2 LEU 64 2.126 1.768 -2.444 490 2HD2 LEU 64 2HD2 LEU 64 3.844 2.160 -2.388 491 3HD2 LEU 64 3HD2 LEU 64 2.716 2.987 -1.315 492 H MET 65 H MET 65 4.727 4.046 2.272 493 HA MET 65 HA MET 65 3.753 6.201 0.704 494 1HB MET 65 2HB MET 65 3.801 6.072 3.235 495 2HB MET 65 1HB MET 65 5.519 6.464 3.151 496 1HG MET 65 2HG MET 65 4.494 8.566 3.441 497 2HG MET 65 1HG MET 65 4.771 8.482 1.702 498 1HE MET 65 1HE MET 65 1.426 6.519 3.551 499 2HE MET 65 2HE MET 65 1.162 8.112 4.255 500 3HE MET 65 3HE MET 65 2.729 7.327 4.434 501 H GLU 66 H GLU 66 6.983 4.950 1.158 502 HA GLU 66 HA GLU 66 8.275 7.301 0.019 503 1HB GLU 66 2HB GLU 66 9.303 5.674 1.718 504 2HB GLU 66 1HB GLU 66 9.515 4.572 0.359 505 1HG GLU 66 2HG GLU 66 11.529 5.673 0.211 506 2HG GLU 66 1HG GLU 66 10.555 6.786 -0.750 507 H TYR 67 H TYR 67 8.230 3.876 -1.044 508 HA TYR 67 HA TYR 67 9.149 4.268 -3.648 509 1HB TYR 67 2HB TYR 67 8.832 2.024 -2.875 510 2HB TYR 67 1HB TYR 67 7.114 2.295 -2.588 511 HD1 TYR 67 HD1 TYR 67 9.540 2.759 -5.424 512 HD2 TYR 67 HD2 TYR 67 5.684 1.358 -4.165 513 HE1 TYR 67 HE1 TYR 67 9.038 2.058 -7.746 514 HE2 TYR 67 HE2 TYR 67 5.180 0.656 -6.489 515 HH TYR 67 HH TYR 67 6.560 -0.007 -8.543 516 H LEU 68 H LEU 68 5.971 5.012 -2.355 517 HA LEU 68 HA LEU 68 4.854 5.448 -5.039 518 1HB LEU 68 2HB LEU 68 3.731 4.867 -2.567 519 2HB LEU 68 1HB LEU 68 3.325 6.567 -2.812 520 HG LEU 68 HG LEU 68 2.774 5.657 -5.278 521 1HD1 LEU 68 1HD1 LEU 68 1.565 3.373 -3.908 522 2HD1 LEU 68 2HD1 LEU 68 3.327 3.292 -3.923 523 3HD1 LEU 68 3HD1 LEU 68 2.437 3.428 -5.440 524 1HD2 LEU 68 1HD2 LEU 68 0.876 5.294 -2.940 525 2HD2 LEU 68 2HD2 LEU 68 0.441 5.629 -4.616 526 3HD2 LEU 68 3HD2 LEU 68 1.265 6.857 -3.657 527 H GLU 69 H GLU 69 6.181 7.367 -2.394 528 HA GLU 69 HA GLU 69 5.338 9.931 -3.277 529 1HB GLU 69 2HB GLU 69 6.719 9.094 -1.158 530 2HB GLU 69 1HB GLU 69 8.085 9.540 -2.169 531 1HG GLU 69 2HG GLU 69 7.577 11.785 -2.113 532 2HG GLU 69 1HG GLU 69 5.841 11.493 -1.997 533 H ASN 70 H ASN 70 7.676 7.672 -4.427 534 HA ASN 70 HA ASN 70 8.017 8.964 -6.951 535 1HB ASN 70 2HB ASN 70 9.428 10.343 -5.118 536 2HB ASN 70 1HB ASN 70 10.608 9.084 -5.482 537 1HD2 ASN 70 1HD2 ASN 70 9.661 8.775 -8.302 538 2HD2 ASN 70 2HD2 ASN 70 10.218 10.150 -9.128 539 HA PRO 71 HA PRO 71 9.215 4.571 -6.708 540 1HB PRO 71 2HB PRO 71 7.858 3.888 -9.011 541 2HB PRO 71 1HB PRO 71 7.130 3.888 -7.396 542 1HG PRO 71 2HG PRO 71 6.766 5.842 -9.617 543 2HG PRO 71 1HG PRO 71 5.670 5.436 -8.289 544 1HD PRO 71 2HD PRO 71 7.298 7.742 -8.423 545 2HD PRO 71 1HD PRO 71 6.475 7.133 -6.971 546 H LYS 72 H LYS 72 9.223 6.790 -9.492 547 HA LYS 72 HA LYS 72 11.196 5.334 -10.996 548 1HB LYS 72 2HB LYS 72 9.802 7.041 -12.076 549 2HB LYS 72 1HB LYS 72 10.482 8.283 -11.025 550 1HG LYS 72 2HG LYS 72 12.668 8.024 -11.995 551 2HG LYS 72 1HG LYS 72 12.166 6.582 -12.878 552 1HD LYS 72 2HD LYS 72 11.089 7.783 -14.501 553 2HD LYS 72 1HD LYS 72 10.564 9.031 -13.371 554 1HE LYS 72 2HE LYS 72 12.201 10.325 -14.235 555 2HE LYS 72 1HE LYS 72 13.337 9.280 -13.384 556 1HZ LYS 72 1HZ LYS 72 13.949 9.350 -15.669 557 2HZ LYS 72 2HZ LYS 72 12.370 8.975 -16.173 558 3HZ LYS 72 3HZ LYS 72 13.305 7.812 -15.360 559 H LYS 73 H LYS 73 11.297 7.263 -8.178 560 HA LYS 73 HA LYS 73 14.215 7.770 -8.442 561 1HB LYS 73 2HB LYS 73 13.289 9.744 -7.649 562 2HB LYS 73 1HB LYS 73 11.979 8.915 -6.813 563 1HG LYS 73 2HG LYS 73 13.334 8.381 -4.962 564 2HG LYS 73 1HG LYS 73 14.828 8.640 -5.862 565 1HD LYS 73 2HD LYS 73 12.893 10.906 -5.421 566 2HD LYS 73 1HD LYS 73 14.068 10.476 -4.179 567 1HE LYS 73 2HE LYS 73 15.749 10.537 -6.238 568 2HE LYS 73 1HE LYS 73 14.523 11.616 -6.906 569 1HZ LYS 73 1HZ LYS 73 14.826 13.143 -5.232 570 2HZ LYS 73 2HZ LYS 73 16.412 12.577 -5.455 571 3HZ LYS 73 3HZ LYS 73 15.480 12.010 -4.152 572 H TYR 74 H TYR 74 11.867 5.815 -6.768 573 HA TYR 74 HA TYR 74 13.821 4.868 -4.771 574 1HB TYR 74 2HB TYR 74 11.342 5.185 -4.297 575 2HB TYR 74 1HB TYR 74 11.049 3.795 -5.336 576 HD1 TYR 74 HD1 TYR 74 10.390 2.041 -3.919 577 HD2 TYR 74 HD2 TYR 74 13.801 4.438 -2.877 578 HE1 TYR 74 HE1 TYR 74 10.871 0.528 -2.015 579 HE2 TYR 74 HE2 TYR 74 14.281 2.922 -0.972 580 HH TYR 74 HH TYR 74 13.727 0.372 -0.466 581 H ILE 75 H ILE 75 11.660 3.054 -6.981 582 HA ILE 75 HA ILE 75 13.814 1.054 -7.319 583 HB ILE 75 HB ILE 75 11.046 0.750 -8.426 584 1HG1 ILE 75 2HG1 ILE 75 10.905 1.684 -6.050 585 2HG1 ILE 75 1HG1 ILE 75 10.145 0.122 -6.296 586 1HG2 ILE 75 1HG2 ILE 75 11.835 -1.323 -8.707 587 2HG2 ILE 75 2HG2 ILE 75 12.025 -1.485 -6.965 588 3HG2 ILE 75 3HG2 ILE 75 13.356 -0.866 -7.943 589 1HD1 ILE 75 1HD1 ILE 75 12.890 0.622 -5.124 590 2HD1 ILE 75 2HD1 ILE 75 12.235 -0.977 -5.479 591 3HD1 ILE 75 3HD1 ILE 75 11.469 0.040 -4.257 592 HA PRO 76 HA PRO 76 14.266 3.154 -11.295 593 1HB PRO 76 2HB PRO 76 16.789 2.171 -11.761 594 2HB PRO 76 1HB PRO 76 16.462 3.593 -10.755 595 1HG PRO 76 2HG PRO 76 17.226 0.835 -9.912 596 2HG PRO 76 1HG PRO 76 17.499 2.378 -9.086 597 1HD PRO 76 2HD PRO 76 15.488 0.494 -8.448 598 2HD PRO 76 1HD PRO 76 15.571 2.171 -7.870 599 H GLY 77 H GLY 77 12.598 1.618 -12.146 600 1HA GLY 77 2HA GLY 77 13.287 0.154 -14.349 601 2HA GLY 77 1HA GLY 77 13.509 -1.017 -13.050 602 H THR 78 H THR 78 11.281 0.156 -11.446 603 HA THR 78 HA THR 78 9.184 -1.512 -12.137 604 HB THR 78 HB THR 78 9.205 -0.147 -10.072 605 HG1 THR 78 HG1 THR 78 6.879 0.738 -10.649 606 1HG2 THR 78 1HG2 THR 78 9.242 2.117 -10.083 607 2HG2 THR 78 2HG2 THR 78 8.016 2.215 -11.347 608 3HG2 THR 78 3HG2 THR 78 9.708 1.961 -11.778 609 H LYS 79 H LYS 79 7.089 -1.056 -13.191 610 HA LYS 79 HA LYS 79 7.481 0.638 -15.617 611 1HB LYS 79 2HB LYS 79 6.002 -1.894 -15.046 612 2HB LYS 79 1HB LYS 79 5.314 -0.803 -16.249 613 1HG LYS 79 2HG LYS 79 6.736 -2.165 -17.533 614 2HG LYS 79 1HG LYS 79 7.727 -0.737 -17.229 615 1HD LYS 79 2HD LYS 79 9.269 -2.023 -16.221 616 2HD LYS 79 1HD LYS 79 8.070 -2.517 -15.025 617 1HE LYS 79 2HE LYS 79 7.262 -4.099 -17.007 618 2HE LYS 79 1HE LYS 79 8.937 -3.907 -17.526 619 1HZ LYS 79 1HZ LYS 79 8.261 -5.773 -15.851 620 2HZ LYS 79 2HZ LYS 79 8.400 -4.522 -14.711 621 3HZ LYS 79 3HZ LYS 79 9.731 -4.948 -15.676 622 H MET 80 H MET 80 6.392 1.260 -12.740 623 HA MET 80 HA MET 80 3.627 1.890 -12.926 624 1HB MET 80 2HB MET 80 5.907 3.039 -11.346 625 2HB MET 80 1HB MET 80 4.323 3.797 -11.276 626 1HG MET 80 2HG MET 80 4.314 0.867 -10.937 627 2HG MET 80 1HG MET 80 5.116 1.758 -9.646 628 1HE MET 80 1HE MET 80 3.460 3.025 -7.591 629 2HE MET 80 2HE MET 80 2.555 4.273 -8.445 630 3HE MET 80 3HE MET 80 4.236 3.967 -8.872 631 H ILE 81 H ILE 81 2.672 3.244 -14.393 632 HA ILE 81 HA ILE 81 4.304 5.404 -15.610 633 HB ILE 81 HB ILE 81 2.759 3.864 -16.976 634 1HG1 ILE 81 2HG1 ILE 81 1.709 6.097 -18.076 635 2HG1 ILE 81 1HG1 ILE 81 2.932 6.834 -17.041 636 1HG2 ILE 81 1HG2 ILE 81 0.553 3.807 -16.514 637 2HG2 ILE 81 2HG2 ILE 81 0.450 5.567 -16.534 638 3HG2 ILE 81 3HG2 ILE 81 0.905 4.728 -15.051 639 1HD1 ILE 81 1HD1 ILE 81 3.392 4.700 -19.143 640 2HD1 ILE 81 2HD1 ILE 81 4.629 5.277 -18.025 641 3HD1 ILE 81 3HD1 ILE 81 3.928 6.379 -19.210 642 H PHE 82 H PHE 82 3.123 5.211 -12.786 643 HA PHE 82 HA PHE 82 1.038 7.092 -12.427 644 1HB PHE 82 2HB PHE 82 2.507 5.450 -10.810 645 2HB PHE 82 1HB PHE 82 3.147 7.023 -10.362 646 HD1 PHE 82 HD1 PHE 82 2.074 8.184 -8.677 647 HD2 PHE 82 HD2 PHE 82 -0.166 5.419 -11.080 648 HE1 PHE 82 HE1 PHE 82 0.065 8.608 -7.291 649 HE2 PHE 82 HE2 PHE 82 -2.177 5.845 -9.694 650 HZ PHE 82 HZ PHE 82 -2.052 7.436 -7.801 651 H VAL 83 H VAL 83 1.266 9.303 -11.509 652 HA VAL 83 HA VAL 83 3.480 10.758 -12.852 653 HB VAL 83 HB VAL 83 2.068 12.750 -12.505 654 1HG1 VAL 83 1HG1 VAL 83 0.904 10.302 -13.807 655 2HG1 VAL 83 2HG1 VAL 83 1.600 11.734 -14.565 656 3HG1 VAL 83 3HG1 VAL 83 0.006 11.820 -13.815 657 1HG2 VAL 83 1HG2 VAL 83 0.132 10.784 -11.245 658 2HG2 VAL 83 2HG2 VAL 83 -0.187 12.492 -11.552 659 3HG2 VAL 83 3HG2 VAL 83 1.037 12.022 -10.375 660 H GLY 84 H GLY 84 1.883 10.405 -9.690 661 1HA GLY 84 2HA GLY 84 3.460 10.322 -7.732 662 2HA GLY 84 1HA GLY 84 4.296 11.688 -8.470 663 H ILE 85 H ILE 85 1.226 10.712 -6.960 664 HA ILE 85 HA ILE 85 0.103 13.361 -6.876 665 HB ILE 85 HB ILE 85 -0.425 11.026 -5.011 666 1HG1 ILE 85 2HG1 ILE 85 -0.756 10.360 -7.338 667 2HG1 ILE 85 1HG1 ILE 85 -2.331 10.584 -6.574 668 1HG2 ILE 85 1HG2 ILE 85 -2.764 12.362 -5.228 669 2HG2 ILE 85 2HG2 ILE 85 -1.642 13.708 -5.434 670 3HG2 ILE 85 3HG2 ILE 85 -1.576 12.720 -3.974 671 1HD1 ILE 85 1HD1 ILE 85 -2.630 11.775 -8.551 672 2HD1 ILE 85 2HD1 ILE 85 -0.949 12.306 -8.604 673 3HD1 ILE 85 3HD1 ILE 85 -2.075 13.054 -7.470 674 H LYS 86 H LYS 86 0.414 14.997 -5.392 675 HA LYS 86 HA LYS 86 2.403 14.448 -3.229 676 1HB LYS 86 2HB LYS 86 2.418 16.392 -5.236 677 2HB LYS 86 1HB LYS 86 1.905 17.265 -3.790 678 1HG LYS 86 2HG LYS 86 4.061 15.428 -3.167 679 2HG LYS 86 1HG LYS 86 4.532 16.529 -4.461 680 1HD LYS 86 2HD LYS 86 3.147 18.122 -2.603 681 2HD LYS 86 1HD LYS 86 4.193 17.080 -1.638 682 1HE LYS 86 2HE LYS 86 6.147 17.866 -2.674 683 2HE LYS 86 1HE LYS 86 5.271 18.474 -4.079 684 1HZ LYS 86 1HZ LYS 86 4.316 20.201 -2.745 685 2HZ LYS 86 2HZ LYS 86 6.003 20.240 -2.552 686 3HZ LYS 86 3HZ LYS 86 5.022 19.578 -1.334 687 H LYS 87 H LYS 87 -0.130 13.706 -2.567 688 HA LYS 87 HA LYS 87 -0.996 15.914 -0.747 689 1HB LYS 87 2HB LYS 87 -2.522 15.107 -2.825 690 2HB LYS 87 1HB LYS 87 -3.028 13.922 -1.621 691 1HG LYS 87 2HG LYS 87 -3.947 15.523 -0.224 692 2HG LYS 87 1HG LYS 87 -2.859 16.791 -0.792 693 1HD LYS 87 2HD LYS 87 -4.099 16.545 -3.058 694 2HD LYS 87 1HD LYS 87 -5.338 15.710 -2.121 695 1HE LYS 87 2HE LYS 87 -6.083 17.634 -1.196 696 2HE LYS 87 1HE LYS 87 -4.446 18.195 -0.855 697 1HZ LYS 87 1HZ LYS 87 -4.723 18.275 -3.597 698 2HZ LYS 87 2HZ LYS 87 -4.683 19.599 -2.532 699 3HZ LYS 87 3HZ LYS 87 -6.172 18.913 -2.985 700 H LYS 88 H LYS 88 -0.258 15.200 1.212 701 HA LYS 88 HA LYS 88 0.152 12.478 1.939 702 1HB LYS 88 2HB LYS 88 0.084 15.085 3.337 703 2HB LYS 88 1HB LYS 88 -0.258 13.682 4.350 704 1HG LYS 88 2HG LYS 88 2.002 13.303 2.499 705 2HG LYS 88 1HG LYS 88 2.264 14.557 3.712 706 1HD LYS 88 2HD LYS 88 2.646 12.974 5.262 707 2HD LYS 88 1HD LYS 88 1.021 12.339 5.009 708 1HE LYS 88 2HE LYS 88 2.163 10.468 4.355 709 2HE LYS 88 1HE LYS 88 2.254 11.331 2.819 710 1HZ LYS 88 1HZ LYS 88 4.438 10.722 3.282 711 2HZ LYS 88 2HZ LYS 88 4.310 11.114 4.930 712 3HZ LYS 88 3HZ LYS 88 4.367 12.347 3.763 713 H GLU 89 H GLU 89 -2.689 14.568 2.262 714 HA GLU 89 HA GLU 89 -4.177 12.861 3.999 715 1HB GLU 89 2HB GLU 89 -4.618 15.328 3.104 716 2HB GLU 89 1HB GLU 89 -5.590 14.466 1.911 717 1HG GLU 89 2HG GLU 89 -7.002 13.531 3.566 718 2HG GLU 89 1HG GLU 89 -5.863 13.895 4.863 719 H GLU 90 H GLU 90 -4.036 13.047 0.439 720 HA GLU 90 HA GLU 90 -5.997 10.988 -0.001 721 1HB GLU 90 2HB GLU 90 -3.770 12.100 -1.722 722 2HB GLU 90 1HB GLU 90 -4.893 10.867 -2.296 723 1HG GLU 90 2HG GLU 90 -5.767 13.530 -1.143 724 2HG GLU 90 1HG GLU 90 -5.581 13.222 -2.871 725 H ARG 91 H ARG 91 -2.442 10.927 0.209 726 HA ARG 91 HA ARG 91 -2.115 8.171 -0.447 727 1HB ARG 91 2HB ARG 91 -0.473 10.327 0.512 728 2HB ARG 91 1HB ARG 91 -0.140 8.882 1.467 729 1HG ARG 91 2HG ARG 91 1.066 8.052 -0.237 730 2HG ARG 91 1HG ARG 91 -0.379 8.065 -1.249 731 1HD ARG 91 2HD ARG 91 0.499 10.751 -1.081 732 2HD ARG 91 1HD ARG 91 1.935 9.777 -1.397 733 HE ARG 91 HE ARG 91 1.089 9.776 -3.600 734 1HH1 ARG 91 1HH2 ARG 91 -1.584 10.740 -1.965 735 2HH1 ARG 91 2HH2 ARG 91 -2.727 9.764 -2.827 736 1HH2 ARG 91 1HH1 ARG 91 -0.302 7.873 -4.431 737 2HH2 ARG 91 2HH1 ARG 91 -2.001 8.141 -4.223 738 H ALA 92 H ALA 92 -2.765 9.791 2.643 739 HA ALA 92 HA ALA 92 -2.419 7.519 4.323 740 1HB ALA 92 1HB ALA 92 -2.592 9.621 5.411 741 2HB ALA 92 2HB ALA 92 -4.087 8.784 5.826 742 3HB ALA 92 3HB ALA 92 -4.089 10.023 4.572 743 H ASP 93 H ASP 93 -5.394 8.829 2.823 744 HA ASP 93 HA ASP 93 -7.120 6.769 3.755 745 1HB ASP 93 2HB ASP 93 -7.242 8.562 1.320 746 2HB ASP 93 1HB ASP 93 -8.534 7.436 1.739 747 H LEU 94 H LEU 94 -4.795 6.853 1.159 748 HA LEU 94 HA LEU 94 -5.840 4.611 -0.330 749 1HB LEU 94 2HB LEU 94 -3.160 5.983 -0.187 750 2HB LEU 94 1HB LEU 94 -3.365 4.505 -1.128 751 HG LEU 94 HG LEU 94 -5.063 6.995 -1.458 752 1HD1 LEU 94 1HD1 LEU 94 -3.158 7.754 -2.467 753 2HD1 LEU 94 2HD1 LEU 94 -3.688 6.711 -3.786 754 3HD1 LEU 94 3HD1 LEU 94 -2.481 6.134 -2.637 755 1HD2 LEU 94 1HD2 LEU 94 -5.234 4.240 -2.412 756 2HD2 LEU 94 2HD2 LEU 94 -5.164 5.393 -3.745 757 3HD2 LEU 94 3HD2 LEU 94 -6.426 5.536 -2.523 758 H ILE 95 H ILE 95 -3.146 4.864 2.012 759 HA ILE 95 HA ILE 95 -2.583 2.069 2.106 760 HB ILE 95 HB ILE 95 -2.232 3.902 4.474 761 1HG1 ILE 95 2HG1 ILE 95 -1.472 5.317 2.739 762 2HG1 ILE 95 1HG1 ILE 95 -0.009 4.493 3.276 763 1HG2 ILE 95 1HG2 ILE 95 -1.503 1.612 4.782 764 2HG2 ILE 95 2HG2 ILE 95 -0.067 2.616 4.587 765 3HG2 ILE 95 3HG2 ILE 95 -0.643 1.633 3.242 766 1HD1 ILE 95 1HD1 ILE 95 -1.615 4.056 0.774 767 2HD1 ILE 95 2HD1 ILE 95 -0.651 2.735 1.435 768 3HD1 ILE 95 3HD1 ILE 95 0.130 4.243 0.957 769 H ALA 96 H ALA 96 -4.614 4.086 4.232 770 HA ALA 96 HA ALA 96 -5.427 2.092 6.039 771 1HB ALA 96 1HB ALA 96 -6.099 4.739 5.586 772 2HB ALA 96 2HB ALA 96 -6.813 3.703 6.822 773 3HB ALA 96 3HB ALA 96 -7.609 3.889 5.260 774 H TYR 97 H TYR 97 -6.878 2.948 2.886 775 HA TYR 97 HA TYR 97 -9.019 1.080 3.024 776 1HB TYR 97 2HB TYR 97 -9.015 2.822 1.328 777 2HB TYR 97 1HB TYR 97 -7.536 2.173 0.616 778 HD1 TYR 97 HD1 TYR 97 -7.908 1.036 -1.378 779 HD2 TYR 97 HD2 TYR 97 -10.800 0.722 1.782 780 HE1 TYR 97 HE1 TYR 97 -9.250 -0.527 -2.762 781 HE2 TYR 97 HE2 TYR 97 -12.143 -0.839 0.398 782 HH TYR 97 HH TYR 97 -11.631 -1.271 -2.911 783 H LEU 98 H LEU 98 -5.723 0.761 1.696 784 HA LEU 98 HA LEU 98 -6.170 -2.061 1.038 785 1HB LEU 98 2HB LEU 98 -3.893 -0.129 0.803 786 2HB LEU 98 1HB LEU 98 -3.537 -1.855 0.770 787 HG LEU 98 HG LEU 98 -3.895 -1.045 -1.511 788 1HD1 LEU 98 1HD1 LEU 98 -4.819 -3.312 -0.645 789 2HD1 LEU 98 2HD1 LEU 98 -5.400 -2.723 -2.203 790 3HD1 LEU 98 3HD1 LEU 98 -6.403 -2.543 -0.763 791 1HD2 LEU 98 1HD2 LEU 98 -5.742 0.653 -0.335 792 2HD2 LEU 98 2HD2 LEU 98 -6.762 -0.504 -1.190 793 3HD2 LEU 98 3HD2 LEU 98 -5.540 0.412 -2.070 794 H LYS 99 H LYS 99 -5.650 -0.439 3.891 795 HA LYS 99 HA LYS 99 -3.937 -2.531 5.063 796 1HB LYS 99 2HB LYS 99 -3.697 0.029 5.486 797 2HB LYS 99 1HB LYS 99 -5.062 -0.193 6.581 798 1HG LYS 99 2HG LYS 99 -3.113 -2.285 6.999 799 2HG LYS 99 1HG LYS 99 -2.340 -0.705 7.127 800 1HD LYS 99 2HD LYS 99 -4.956 -1.280 8.518 801 2HD LYS 99 1HD LYS 99 -3.411 -1.684 9.268 802 1HE LYS 99 2HE LYS 99 -2.741 0.759 8.733 803 2HE LYS 99 1HE LYS 99 -4.468 1.033 8.502 804 1HZ LYS 99 1HZ LYS 99 -2.987 0.465 10.942 805 2HZ LYS 99 2HZ LYS 99 -4.512 -0.271 10.802 806 3HZ LYS 99 3HZ LYS 99 -4.370 1.420 10.709 807 H LYS 100 H LYS 100 -7.238 -1.748 4.717 808 HA LYS 100 HA LYS 100 -7.913 -3.589 6.982 809 1HB LYS 100 2HB LYS 100 -8.688 -0.998 6.817 810 2HB LYS 100 1HB LYS 100 -10.006 -1.766 5.931 811 1HG LYS 100 2HG LYS 100 -10.620 -3.112 7.777 812 2HG LYS 100 1HG LYS 100 -9.090 -2.820 8.606 813 1HD LYS 100 2HD LYS 100 -11.026 -1.517 9.555 814 2HD LYS 100 1HD LYS 100 -9.681 -0.509 9.016 815 1HE LYS 100 2HE LYS 100 -10.977 0.528 7.491 816 2HE LYS 100 1HE LYS 100 -11.528 -1.013 6.835 817 1HZ LYS 100 1HZ LYS 100 -13.482 -0.357 7.685 818 2HZ LYS 100 2HZ LYS 100 -12.776 0.720 8.792 819 3HZ LYS 100 3HZ LYS 100 -12.849 -0.940 9.147 820 H ALA 101 H ALA 101 -8.767 -2.573 3.687 821 HA ALA 101 HA ALA 101 -10.730 -4.668 3.341 822 1HB ALA 101 1HB ALA 101 -11.116 -2.865 1.917 823 2HB ALA 101 2HB ALA 101 -10.309 -3.999 0.834 824 3HB ALA 101 3HB ALA 101 -9.404 -2.665 1.548 825 H THR 102 H THR 102 -7.275 -4.349 2.654 826 HA THR 102 HA THR 102 -7.315 -7.215 1.794 827 HB THR 102 HB THR 102 -5.093 -6.234 0.550 828 HG1 THR 102 HG1 THR 102 -7.095 -4.262 0.244 829 1HG2 THR 102 1HG2 THR 102 -7.825 -6.063 -0.719 830 2HG2 THR 102 2HG2 THR 102 -7.091 -7.612 -0.306 831 3HG2 THR 102 3HG2 THR 102 -6.301 -6.543 -1.465 832 H ASN 103 H ASN 103 -6.687 -5.781 4.430 833 HA ASN 103 HA ASN 103 -4.210 -7.278 4.923 834 1HB ASN 103 2HB ASN 103 -3.407 -5.031 4.307 835 2HB ASN 103 1HB ASN 103 -4.449 -4.322 5.540 836 1HD2 ASN 103 1HD2 ASN 103 -2.602 -7.357 5.907 837 2HD2 ASN 103 2HD2 ASN 103 -1.591 -6.782 7.142 838 H GLU 104 HN GLU 104 -7.222 -6.957 5.759 839 HA GLU 104 HA GLU 104 -6.756 -7.766 8.526 840 1HB GLU 104 2HB GLU 104 -7.259 -5.024 7.991 841 2HB GLU 104 1HB GLU 104 -8.741 -5.689 8.679 842 1HG GLU 104 2HG GLU 104 -7.077 -6.818 10.391 843 2HG GLU 104 1HG GLU 104 -6.003 -5.511 9.891 844 HHA HEC 105 HHA HEC 105 4.148 -2.515 -9.036 845 HHB HEC 105 HHB HEC 105 1.089 1.255 -4.999 846 HHC HEC 105 HHC HEC 105 -2.052 3.881 -9.819 847 HHD HEC 105 HHD HEC 105 1.088 0.173 -13.858 848 1HMA HEC 105 1HMA HEC 105 2.015 -0.411 -3.872 849 2HMA HEC 105 2HMA HEC 105 3.672 0.162 -4.065 850 3HMA HEC 105 3HMA HEC 105 3.341 -1.568 -3.990 851 1HAA HEC 105 1HAA HEC 105 4.988 -2.216 -5.464 852 2HAA HEC 105 2HAA HEC 105 5.165 -2.575 -7.170 853 1HBA HEC 105 1HBA HEC 105 2.924 -3.953 -6.738 854 2HBA HEC 105 2HBA HEC 105 3.558 -3.986 -5.093 855 1HMB HEC 105 1HMB HEC 105 -1.840 2.812 -4.476 856 2HMB HEC 105 2HMB HEC 105 -0.760 4.201 -4.597 857 3HMB HEC 105 3HMB HEC 105 -0.108 2.608 -4.216 858 HAB HEC 105 HAB HEC 105 -2.624 4.897 -8.122 859 1HBB HEC 105 1HBB HEC 105 -2.756 6.447 -6.415 860 2HBB HEC 105 2HBB HEC 105 -1.059 5.966 -6.463 861 3HBB HEC 105 3HBB HEC 105 -2.124 5.322 -5.215 862 1HMC HEC 105 1HMC HEC 105 -1.989 4.641 -12.987 863 2HMC HEC 105 2HMC HEC 105 -3.144 3.330 -13.221 864 3HMC HEC 105 3HMC HEC 105 -2.964 4.073 -11.632 865 HAC HEC 105 HAC HEC 105 -0.082 1.566 -15.018 866 1HBC HEC 105 1HBC HEC 105 -2.539 3.194 -15.096 867 2HBC HEC 105 2HBC HEC 105 -1.169 3.129 -16.203 868 3HBC HEC 105 3HBC HEC 105 -1.018 3.974 -14.663 869 1HMD HEC 105 1HMD HEC 105 4.089 -1.768 -14.273 870 2HMD HEC 105 2HMD HEC 105 2.581 -2.676 -14.341 871 3HMD HEC 105 3HMD HEC 105 2.578 -0.941 -14.647 872 1HAD HEC 105 1HAD HEC 105 5.444 -2.643 -11.977 873 2HAD HEC 105 2HAD HEC 105 4.654 -3.527 -10.682 874 1HBD HEC 105 1HBD HEC 105 3.339 -3.924 -13.254 875 2HBD HEC 105 2HBD HEC 105 3.913 -5.115 -12.091 Start of MODEL 19 1 1H GLY 1 1HT GLY 1 -7.221 8.680 8.179 2 2H GLY 1 2HT GLY 1 -7.550 8.311 6.553 3 3H GLY 1 3HT GLY 1 -8.419 7.542 7.795 4 1HA GLY 1 1HA GLY 1 -8.867 10.158 8.320 5 2HA GLY 1 2HA GLY 1 -8.859 10.097 6.555 6 H ASP 2 H ASP 2 -10.451 8.811 5.490 7 HA ASP 2 HA ASP 2 -12.658 7.866 7.276 8 1HB ASP 2 2HB ASP 2 -12.886 9.968 5.596 9 2HB ASP 2 1HB ASP 2 -13.293 8.662 4.482 10 H VAL 3 H VAL 3 -14.083 6.213 6.064 11 HA VAL 3 HA VAL 3 -12.259 4.267 4.746 12 HB VAL 3 HB VAL 3 -14.913 4.004 6.166 13 1HG1 VAL 3 1HG1 VAL 3 -14.628 1.522 5.649 14 2HG1 VAL 3 2HG1 VAL 3 -13.452 2.005 4.427 15 3HG1 VAL 3 3HG1 VAL 3 -15.129 2.530 4.293 16 1HG2 VAL 3 1HG2 VAL 3 -12.151 3.718 6.878 17 2HG2 VAL 3 2HG2 VAL 3 -12.913 2.129 6.957 18 3HG2 VAL 3 3HG2 VAL 3 -13.572 3.470 7.894 19 H GLU 4 H GLU 4 -15.476 5.749 4.352 20 HA GLU 4 HA GLU 4 -16.039 4.507 1.824 21 1HB GLU 4 2HB GLU 4 -17.466 6.066 3.572 22 2HB GLU 4 1HB GLU 4 -17.179 7.193 2.246 23 1HG GLU 4 2HG GLU 4 -18.359 4.413 1.964 24 2HG GLU 4 1HG GLU 4 -19.268 5.923 1.893 25 H LYS 5 H LYS 5 -13.824 6.959 2.674 26 HA LYS 5 HA LYS 5 -13.890 8.204 -0.011 27 1HB LYS 5 2HB LYS 5 -12.740 8.876 2.622 28 2HB LYS 5 1HB LYS 5 -11.709 9.282 1.249 29 1HG LYS 5 2HG LYS 5 -13.818 10.331 0.202 30 2HG LYS 5 1HG LYS 5 -14.521 10.227 1.816 31 1HD LYS 5 2HD LYS 5 -12.790 11.625 2.743 32 2HD LYS 5 1HD LYS 5 -11.866 11.569 1.242 33 1HE LYS 5 2HE LYS 5 -13.341 12.989 0.123 34 2HE LYS 5 1HE LYS 5 -14.685 12.604 1.198 35 1HZ LYS 5 1HZ LYS 5 -14.058 14.683 1.913 36 2HZ LYS 5 2HZ LYS 5 -12.402 14.406 1.651 37 3HZ LYS 5 3HZ LYS 5 -13.188 13.691 2.976 38 H GLY 6 H GLY 6 -11.450 6.562 2.045 39 1HA GLY 6 1HA GLY 6 -9.442 6.331 0.070 40 2HA GLY 6 2HA GLY 6 -9.633 5.210 1.419 41 H LYS 7 H LYS 7 -12.372 4.462 0.559 42 HA LYS 7 HA LYS 7 -11.655 2.276 -1.188 43 1HB LYS 7 2HB LYS 7 -13.442 1.958 0.404 44 2HB LYS 7 1HB LYS 7 -14.331 3.336 -0.246 45 1HG LYS 7 2HG LYS 7 -14.643 2.180 -2.375 46 2HG LYS 7 1HG LYS 7 -13.672 0.823 -1.805 47 1HD LYS 7 2HD LYS 7 -15.425 0.835 0.187 48 2HD LYS 7 1HD LYS 7 -16.443 1.632 -1.011 49 1HE LYS 7 2HE LYS 7 -14.969 -0.940 -1.602 50 2HE LYS 7 1HE LYS 7 -16.598 -0.920 -0.925 51 1HZ LYS 7 1HZ LYS 7 -15.677 0.021 -3.559 52 2HZ LYS 7 2HZ LYS 7 -17.089 0.667 -2.869 53 3HZ LYS 7 3HZ LYS 7 -16.978 -1.000 -3.185 54 H LYS 8 H LYS 8 -13.582 5.246 -1.675 55 HA LYS 8 HA LYS 8 -14.071 4.717 -4.471 56 1HB LYS 8 2HB LYS 8 -14.163 7.307 -2.892 57 2HB LYS 8 1HB LYS 8 -14.766 7.112 -4.538 58 1HG LYS 8 2HG LYS 8 -15.746 5.128 -2.561 59 2HG LYS 8 1HG LYS 8 -16.322 6.781 -2.343 60 1HD LYS 8 2HD LYS 8 -17.541 6.757 -4.278 61 2HD LYS 8 1HD LYS 8 -16.367 5.751 -5.127 62 1HE LYS 8 2HE LYS 8 -17.143 3.771 -3.915 63 2HE LYS 8 1HE LYS 8 -18.267 4.758 -2.982 64 1HZ LYS 8 1HZ LYS 8 -19.045 5.453 -5.371 65 2HZ LYS 8 2HZ LYS 8 -19.634 4.040 -4.633 66 3HZ LYS 8 3HZ LYS 8 -18.394 3.943 -5.791 67 H ILE 9 H ILE 9 -11.374 5.933 -2.702 68 HA ILE 9 HA ILE 9 -10.203 7.477 -4.863 69 HB ILE 9 HB ILE 9 -9.056 6.279 -2.328 70 1HG1 ILE 9 2HG1 ILE 9 -10.626 8.215 -2.138 71 2HG1 ILE 9 1HG1 ILE 9 -8.993 8.614 -1.605 72 1HG2 ILE 9 1HG2 ILE 9 -7.714 8.012 -4.426 73 2HG2 ILE 9 2HG2 ILE 9 -7.281 6.353 -4.010 74 3HG2 ILE 9 3HG2 ILE 9 -7.035 7.650 -2.840 75 1HD1 ILE 9 1HD1 ILE 9 -8.605 9.420 -4.030 76 2HD1 ILE 9 2HD1 ILE 9 -9.605 10.433 -2.989 77 3HD1 ILE 9 3HD1 ILE 9 -10.361 9.379 -4.184 78 H PHE 10 H PHE 10 -9.126 4.376 -3.406 79 HA PHE 10 HA PHE 10 -7.370 3.601 -5.445 80 1HB PHE 10 2HB PHE 10 -7.812 2.373 -3.262 81 2HB PHE 10 1HB PHE 10 -9.245 1.687 -4.027 82 HD1 PHE 10 HD1 PHE 10 -8.874 0.560 -6.367 83 HD2 PHE 10 HD2 PHE 10 -5.749 1.286 -3.511 84 HE1 PHE 10 HE1 PHE 10 -7.473 -1.170 -7.460 85 HE2 PHE 10 HE2 PHE 10 -4.348 -0.444 -4.605 86 HZ PHE 10 HZ PHE 10 -5.210 -1.672 -6.580 87 H ILE 11 H ILE 11 -10.897 3.158 -5.268 88 HA ILE 11 HA ILE 11 -11.251 1.653 -7.636 89 HB ILE 11 HB ILE 11 -13.001 3.737 -6.312 90 1HG1 ILE 11 2HG1 ILE 11 -13.184 0.712 -6.489 91 2HG1 ILE 11 1HG1 ILE 11 -12.572 1.604 -5.095 92 1HG2 ILE 11 1HG2 ILE 11 -13.503 3.598 -8.743 93 2HG2 ILE 11 2HG2 ILE 11 -14.818 2.953 -7.759 94 3HG2 ILE 11 3HG2 ILE 11 -13.710 1.855 -8.583 95 1HD1 ILE 11 1HD1 ILE 11 -15.291 2.244 -6.208 96 2HD1 ILE 11 2HD1 ILE 11 -14.675 2.491 -4.574 97 3HD1 ILE 11 3HD1 ILE 11 -15.084 0.866 -5.127 98 H MET 12 H MET 12 -11.010 5.176 -7.165 99 HA MET 12 HA MET 12 -10.902 5.483 -10.135 100 1HB MET 12 2HB MET 12 -11.451 7.830 -9.764 101 2HB MET 12 1HB MET 12 -12.614 6.817 -8.908 102 1HG MET 12 2HG MET 12 -12.106 8.200 -7.160 103 2HG MET 12 1HG MET 12 -10.743 7.097 -6.972 104 1HE MET 12 1HE MET 12 -12.274 10.109 -7.952 105 2HE MET 12 2HE MET 12 -11.356 10.619 -9.368 106 3HE MET 12 3HE MET 12 -11.036 11.365 -7.805 107 H LYS 13 H LYS 13 -8.645 4.731 -8.121 108 HA LYS 13 HA LYS 13 -6.776 6.885 -9.036 109 1HB LYS 13 2HB LYS 13 -7.345 6.476 -6.436 110 2HB LYS 13 1HB LYS 13 -6.058 5.285 -6.629 111 1HG LYS 13 2HG LYS 13 -4.649 7.025 -6.285 112 2HG LYS 13 1HG LYS 13 -5.031 7.477 -7.947 113 1HD LYS 13 2HD LYS 13 -7.149 8.420 -6.282 114 2HD LYS 13 1HD LYS 13 -5.623 8.916 -5.548 115 1HE LYS 13 2HE LYS 13 -6.044 10.662 -7.053 116 2HE LYS 13 1HE LYS 13 -4.969 9.614 -7.980 117 1HZ LYS 13 1HZ LYS 13 -7.682 10.308 -8.484 118 2HZ LYS 13 2HZ LYS 13 -7.485 8.622 -8.419 119 3HZ LYS 13 3HZ LYS 13 -6.560 9.548 -9.503 120 H CYS 14 H CYS 14 -6.798 3.481 -7.889 121 HA CYS 14 HA CYS 14 -4.905 2.874 -10.118 122 1HB CYS 14 2HB CYS 14 -4.390 1.171 -7.824 123 2HB CYS 14 1HB CYS 14 -3.261 2.175 -8.727 124 H SER 15 H SER 15 -7.849 2.453 -9.635 125 HA SER 15 HA SER 15 -8.143 -0.435 -9.260 126 1HB SER 15 2HB SER 15 -9.856 1.533 -8.818 127 2HB SER 15 1HB SER 15 -10.262 1.278 -10.511 128 HG SER 15 HG SER 15 -11.528 -0.041 -9.160 129 H GLN 16 H GLN 16 -6.840 1.286 -11.704 130 HA GLN 16 HA GLN 16 -8.086 -0.310 -13.882 131 1HB GLN 16 2HB GLN 16 -7.934 2.030 -14.418 132 2HB GLN 16 1HB GLN 16 -6.255 2.106 -13.885 133 1HG GLN 16 2HG GLN 16 -5.615 1.632 -15.988 134 2HG GLN 16 1HG GLN 16 -6.375 0.050 -15.823 135 1HE2 GLN 16 1HE2 GLN 16 -7.045 3.424 -16.821 136 2HE2 GLN 16 2HE2 GLN 16 -8.359 3.034 -17.822 137 H CYS 17 H CYS 17 -4.810 0.669 -12.808 138 HA CYS 17 HA CYS 17 -3.628 -1.616 -14.218 139 1HB CYS 17 2HB CYS 17 -2.538 0.630 -12.523 140 2HB CYS 17 1HB CYS 17 -1.521 -0.742 -12.958 141 H HIS 18 H HIS 18 -4.935 -0.985 -11.083 142 HA HIS 18 HA HIS 18 -3.754 -3.569 -10.140 143 1HB HIS 18 2HB HIS 18 -4.366 -1.078 -8.535 144 2HB HIS 18 1HB HIS 18 -3.953 -2.636 -7.820 145 HD1 HIS 18 HD1 HIS 18 -1.501 -3.321 -7.825 146 HD2 HIS 18 HD2 HIS 18 -2.221 0.112 -10.058 147 HE1 HIS 18 HE1 HIS 18 0.764 -2.343 -8.399 148 H THR 19 H THR 19 -5.699 -4.617 -10.982 149 HA THR 19 HA THR 19 -8.296 -3.853 -9.866 150 HB THR 19 HB THR 19 -9.000 -6.073 -10.933 151 HG1 THR 19 HG1 THR 19 -6.472 -5.930 -12.163 152 1HG2 THR 19 1HG2 THR 19 -8.220 -5.060 -13.314 153 2HG2 THR 19 2HG2 THR 19 -7.921 -3.662 -12.281 154 3HG2 THR 19 3HG2 THR 19 -9.534 -4.371 -12.361 155 H VAL 20 H VAL 20 -7.655 -3.977 -7.585 156 HA VAL 20 HA VAL 20 -6.841 -6.543 -6.461 157 HB VAL 20 HB VAL 20 -6.845 -5.411 -4.351 158 1HG1 VAL 20 1HG1 VAL 20 -5.092 -4.687 -5.963 159 2HG1 VAL 20 2HG1 VAL 20 -5.529 -3.406 -4.832 160 3HG1 VAL 20 3HG1 VAL 20 -6.146 -3.372 -6.484 161 1HG2 VAL 20 1HG2 VAL 20 -8.561 -3.336 -5.749 162 2HG2 VAL 20 2HG2 VAL 20 -7.888 -3.138 -4.130 163 3HG2 VAL 20 3HG2 VAL 20 -9.065 -4.412 -4.446 164 H GLU 21 H GLU 21 -9.670 -5.882 -7.810 165 HA GLU 21 HA GLU 21 -11.150 -7.465 -5.766 166 1HB GLU 21 2HB GLU 21 -13.178 -6.067 -6.234 167 2HB GLU 21 1HB GLU 21 -11.881 -5.164 -5.453 168 1HG GLU 21 2HG GLU 21 -11.426 -3.917 -7.330 169 2HG GLU 21 1HG GLU 21 -11.883 -5.216 -8.432 170 H LYS 22 H LYS 22 -9.871 -7.993 -8.476 171 HA LYS 22 HA LYS 22 -12.290 -8.701 -10.055 172 1HB LYS 22 2HB LYS 22 -10.105 -7.566 -10.987 173 2HB LYS 22 1HB LYS 22 -9.479 -9.213 -10.977 174 1HG LYS 22 2HG LYS 22 -12.185 -8.998 -12.100 175 2HG LYS 22 1HG LYS 22 -10.969 -8.103 -13.014 176 1HD LYS 22 2HD LYS 22 -9.652 -10.047 -13.373 177 2HD LYS 22 1HD LYS 22 -10.519 -10.958 -12.137 178 1HE LYS 22 2HE LYS 22 -12.574 -10.275 -13.790 179 2HE LYS 22 1HE LYS 22 -11.256 -10.429 -14.952 180 1HZ LYS 22 1HZ LYS 22 -11.642 -12.501 -12.900 181 2HZ LYS 22 2HZ LYS 22 -10.936 -12.631 -14.440 182 3HZ LYS 22 3HZ LYS 22 -12.623 -12.504 -14.284 183 H GLY 23 H GLY 23 -9.326 -10.208 -8.746 184 1HA GLY 23 2HA GLY 23 -10.075 -12.436 -7.551 185 2HA GLY 23 1HA GLY 23 -10.564 -12.876 -9.188 186 H GLY 24 H GLY 24 -7.702 -11.564 -7.478 187 1HA GLY 24 1HA GLY 24 -5.419 -11.996 -7.808 188 2HA GLY 24 2HA GLY 24 -5.931 -13.630 -8.238 189 H LYS 25 H LYS 25 -7.191 -10.975 -10.083 190 HA LYS 25 HA LYS 25 -5.613 -11.929 -12.416 191 1HB LYS 25 2HB LYS 25 -8.189 -11.691 -12.415 192 2HB LYS 25 1HB LYS 25 -7.891 -9.954 -12.517 193 1HG LYS 25 2HG LYS 25 -8.167 -10.967 -14.765 194 2HG LYS 25 1HG LYS 25 -6.555 -10.283 -14.550 195 1HD LYS 25 2HD LYS 25 -5.583 -12.293 -14.841 196 2HD LYS 25 1HD LYS 25 -6.634 -13.035 -13.635 197 1HE LYS 25 2HE LYS 25 -8.380 -13.381 -15.272 198 2HE LYS 25 1HE LYS 25 -7.494 -12.452 -16.481 199 1HZ LYS 25 1HZ LYS 25 -5.821 -14.096 -16.584 200 2HZ LYS 25 2HZ LYS 25 -7.301 -14.923 -16.674 201 3HZ LYS 25 3HZ LYS 25 -6.419 -14.910 -15.222 202 H HIS 26 H HIS 26 -4.229 -10.560 -13.534 203 HA HIS 26 HA HIS 26 -4.076 -7.718 -12.673 204 1HB HIS 26 2HB HIS 26 -1.434 -8.279 -12.946 205 2HB HIS 26 1HB HIS 26 -2.269 -8.304 -11.395 206 HD1 HIS 26 HD1 HIS 26 -2.503 -10.926 -14.140 207 HD2 HIS 26 HD2 HIS 26 -1.078 -10.543 -10.241 208 HE1 HIS 26 HE1 HIS 26 -1.801 -13.245 -13.403 209 H LYS 27 H LYS 27 -3.893 -6.414 -14.440 210 HA LYS 27 HA LYS 27 -3.134 -7.693 -17.005 211 1HB LYS 27 2HB LYS 27 -5.287 -5.965 -16.271 212 2HB LYS 27 1HB LYS 27 -4.258 -5.101 -17.414 213 1HG LYS 27 2HG LYS 27 -5.895 -6.347 -18.689 214 2HG LYS 27 1HG LYS 27 -4.332 -7.137 -18.900 215 1HD LYS 27 2HD LYS 27 -5.970 -8.860 -18.459 216 2HD LYS 27 1HD LYS 27 -4.960 -8.698 -17.021 217 1HE LYS 27 2HE LYS 27 -6.802 -8.288 -15.801 218 2HE LYS 27 1HE LYS 27 -7.080 -6.828 -16.751 219 1HZ LYS 27 1HZ LYS 27 -8.947 -8.444 -16.780 220 2HZ LYS 27 2HZ LYS 27 -7.938 -9.538 -17.601 221 3HZ LYS 27 3HZ LYS 27 -8.351 -8.056 -18.320 222 H THR 28 H THR 28 -3.077 -4.313 -15.852 223 HA THR 28 HA THR 28 -0.397 -4.014 -17.085 224 HB THR 28 HB THR 28 -2.253 -1.958 -15.843 225 HG1 THR 28 HG1 THR 28 -1.692 -2.720 -18.513 226 1HG2 THR 28 1HG2 THR 28 0.162 -1.347 -15.781 227 2HG2 THR 28 2HG2 THR 28 -0.772 -0.307 -16.858 228 3HG2 THR 28 3HG2 THR 28 0.240 -1.588 -17.527 229 H GLY 29 H GLY 29 -1.971 -3.241 -13.966 230 1HA GLY 29 2HA GLY 29 0.682 -3.086 -12.671 231 2HA GLY 29 1HA GLY 29 -0.853 -2.673 -11.917 232 HA PRO 30 HA PRO 30 0.536 -7.138 -10.948 233 1HB PRO 30 2HB PRO 30 1.633 -6.703 -8.479 234 2HB PRO 30 1HB PRO 30 2.574 -6.731 -9.974 235 1HG PRO 30 2HG PRO 30 1.674 -4.362 -8.367 236 2HG PRO 30 1HG PRO 30 3.161 -4.582 -9.308 237 1HD PRO 30 2HD PRO 30 0.972 -3.125 -10.202 238 2HD PRO 30 1HD PRO 30 2.178 -3.873 -11.264 239 H ASN 31 H ASN 31 -1.054 -8.340 -9.974 240 HA ASN 31 HA ASN 31 -3.411 -7.273 -8.947 241 1HB ASN 31 2HB ASN 31 -3.194 -9.638 -9.559 242 2HB ASN 31 1HB ASN 31 -2.118 -9.910 -8.188 243 1HD2 ASN 31 1HD2 ASN 31 -5.283 -8.186 -8.540 244 2HD2 ASN 31 2HD2 ASN 31 -6.028 -9.001 -7.252 245 H LEU 32 H LEU 32 -3.239 -5.671 -7.403 246 HA LEU 32 HA LEU 32 -1.536 -6.013 -5.062 247 1HB LEU 32 2HB LEU 32 -2.961 -3.844 -6.360 248 2HB LEU 32 1HB LEU 32 -3.256 -3.842 -4.623 249 HG LEU 32 HG LEU 32 -0.972 -3.593 -4.107 250 1HD1 LEU 32 1HD1 LEU 32 0.324 -5.089 -5.250 251 2HD1 LEU 32 2HD1 LEU 32 0.616 -3.709 -6.310 252 3HD1 LEU 32 3HD1 LEU 32 -0.604 -4.907 -6.738 253 1HD2 LEU 32 1HD2 LEU 32 -2.036 -1.957 -6.298 254 2HD2 LEU 32 2HD2 LEU 32 -0.274 -1.953 -6.227 255 3HD2 LEU 32 3HD2 LEU 32 -1.214 -1.455 -4.821 256 H HIS 33 H HIS 33 -3.436 -8.088 -5.193 257 HA HIS 33 HA HIS 33 -5.511 -7.341 -3.198 258 1HB HIS 33 2HB HIS 33 -5.732 -8.886 -5.419 259 2HB HIS 33 1HB HIS 33 -5.357 -10.124 -4.218 260 HD1 HIS 33 HD1 HIS 33 -7.956 -10.829 -4.718 261 HD2 HIS 33 HD2 HIS 33 -7.360 -7.261 -2.644 262 HE1 HIS 33 HE1 HIS 33 -10.166 -10.262 -3.617 263 H GLY 34 H GLY 34 -3.780 -7.117 -1.543 264 1HA GLY 34 2HA GLY 34 -3.383 -8.411 0.561 265 2HA GLY 34 1HA GLY 34 -2.973 -9.789 -0.463 266 H LEU 35 H LEU 35 -1.917 -6.767 -1.656 267 HA LEU 35 HA LEU 35 0.814 -7.434 -1.744 268 1HB LEU 35 2HB LEU 35 -0.121 -5.601 -3.067 269 2HB LEU 35 1HB LEU 35 -0.465 -4.689 -1.597 270 HG LEU 35 HG LEU 35 2.272 -5.446 -1.484 271 1HD1 LEU 35 1HD1 LEU 35 2.021 -5.759 -3.968 272 2HD1 LEU 35 2HD1 LEU 35 3.174 -4.502 -3.522 273 3HD1 LEU 35 3HD1 LEU 35 1.563 -4.060 -4.085 274 1HD2 LEU 35 1HD2 LEU 35 0.776 -2.854 -1.930 275 2HD2 LEU 35 2HD2 LEU 35 2.529 -2.906 -1.747 276 3HD2 LEU 35 3HD2 LEU 35 1.489 -3.452 -0.431 277 H PHE 36 H PHE 36 -1.063 -5.984 0.849 278 HA PHE 36 HA PHE 36 1.137 -5.032 2.418 279 1HB PHE 36 2HB PHE 36 -1.702 -5.819 3.056 280 2HB PHE 36 1HB PHE 36 -0.581 -5.359 4.338 281 HD1 PHE 36 HD1 PHE 36 -1.047 -4.103 0.836 282 HD2 PHE 36 HD2 PHE 36 -1.079 -3.184 5.032 283 HE1 PHE 36 HE1 PHE 36 -1.421 -1.711 0.308 284 HE2 PHE 36 HE2 PHE 36 -1.453 -0.790 4.504 285 HZ PHE 36 HZ PHE 36 -1.624 -0.054 2.141 286 H GLY 37 H GLY 37 2.341 -6.044 4.027 287 1HA GLY 37 2HA GLY 37 3.306 -7.816 5.225 288 2HA GLY 37 1HA GLY 37 1.761 -8.653 5.079 289 H ARG 38 H ARG 38 3.045 -7.651 2.082 290 HA ARG 38 HA ARG 38 4.405 -10.266 1.664 291 1HB ARG 38 2HB ARG 38 2.059 -10.511 0.899 292 2HB ARG 38 1HB ARG 38 2.274 -9.123 -0.170 293 1HG ARG 38 2HG ARG 38 4.110 -10.325 -1.331 294 2HG ARG 38 1HG ARG 38 3.832 -11.724 -0.292 295 1HD ARG 38 2HD ARG 38 2.653 -12.097 -2.374 296 2HD ARG 38 1HD ARG 38 1.456 -11.776 -1.120 297 HE ARG 38 HE ARG 38 0.788 -9.974 -2.467 298 1HH1 ARG 38 1HH1 ARG 38 3.387 -8.556 -1.643 299 2HH1 ARG 38 2HH1 ARG 38 4.012 -8.102 -3.192 300 1HH2 ARG 38 1HH2 ARG 38 1.930 -10.242 -4.955 301 2HH2 ARG 38 2HH2 ARG 38 3.188 -9.056 -5.067 302 H LYS 39 H LYS 39 6.291 -9.993 0.562 303 HA LYS 39 HA LYS 39 7.092 -7.333 -0.284 304 1HB LYS 39 2HB LYS 39 8.407 -10.050 -0.570 305 2HB LYS 39 1HB LYS 39 9.166 -8.538 -1.073 306 1HG LYS 39 2HG LYS 39 9.796 -8.108 1.041 307 2HG LYS 39 1HG LYS 39 8.125 -8.234 1.593 308 1HD LYS 39 2HD LYS 39 9.038 -10.875 1.038 309 2HD LYS 39 1HD LYS 39 10.273 -10.081 2.015 310 1HE LYS 39 2HE LYS 39 7.874 -9.289 3.194 311 2HE LYS 39 1HE LYS 39 7.609 -10.985 2.787 312 1HZ LYS 39 1HZ LYS 39 9.637 -9.796 4.556 313 2HZ LYS 39 2HZ LYS 39 9.955 -11.280 3.793 314 3HZ LYS 39 3HZ LYS 39 8.619 -11.124 4.831 315 H THR 40 H THR 40 8.183 -7.180 -2.578 316 HA THR 40 HA THR 40 6.077 -7.575 -4.524 317 HB THR 40 HB THR 40 8.782 -7.034 -5.563 318 HG1 THR 40 HG1 THR 40 9.150 -5.979 -3.706 319 1HG2 THR 40 1HG2 THR 40 6.954 -4.884 -5.885 320 2HG2 THR 40 2HG2 THR 40 6.040 -6.379 -6.076 321 3HG2 THR 40 3HG2 THR 40 7.449 -6.072 -7.091 322 H GLY 41 H GLY 41 6.804 -8.596 -6.754 323 1HA GLY 41 2HA GLY 41 7.577 -10.462 -7.957 324 2HA GLY 41 1HA GLY 41 8.611 -10.854 -6.586 325 H GLN 42 H GLN 42 5.498 -11.396 -8.064 326 HA GLN 42 HA GLN 42 5.110 -13.736 -6.303 327 1HB GLN 42 2HB GLN 42 3.734 -11.302 -5.835 328 2HB GLN 42 1HB GLN 42 2.570 -12.407 -6.565 329 1HG GLN 42 2HG GLN 42 2.547 -12.707 -4.143 330 2HG GLN 42 1HG GLN 42 3.230 -14.146 -4.902 331 1HE2 GLN 42 1HE2 GLN 42 4.651 -10.935 -4.040 332 2HE2 GLN 42 2HE2 GLN 42 5.953 -11.586 -3.166 333 H ALA 43 H ALA 43 2.922 -11.946 -8.491 334 HA ALA 43 HA ALA 43 1.777 -14.102 -9.786 335 1HB ALA 43 1HB ALA 43 1.090 -11.803 -10.248 336 2HB ALA 43 2HB ALA 43 1.490 -12.612 -11.763 337 3HB ALA 43 3HB ALA 43 2.631 -11.479 -11.042 338 HA PRO 44 HA PRO 44 5.125 -16.028 -11.917 339 1HB PRO 44 2HB PRO 44 3.605 -17.730 -13.448 340 2HB PRO 44 1HB PRO 44 3.914 -17.973 -11.721 341 1HG PRO 44 2HG PRO 44 1.417 -17.055 -13.063 342 2HG PRO 44 1HG PRO 44 1.618 -17.873 -11.505 343 1HD PRO 44 2HD PRO 44 1.159 -15.095 -11.897 344 2HD PRO 44 1HD PRO 44 1.630 -15.882 -10.375 345 H GLY 45 H GLY 45 2.833 -16.448 -14.520 346 1HA GLY 45 2HA GLY 45 4.420 -15.624 -16.613 347 2HA GLY 45 1HA GLY 45 2.668 -15.424 -16.643 348 H TYR 46 H TYR 46 2.731 -13.562 -14.343 349 HA TYR 46 HA TYR 46 3.207 -11.104 -15.858 350 1HB TYR 46 2HB TYR 46 1.300 -11.443 -14.252 351 2HB TYR 46 1HB TYR 46 2.467 -11.481 -12.943 352 HD1 TYR 46 HD1 TYR 46 4.120 -9.148 -14.707 353 HD2 TYR 46 HD2 TYR 46 0.255 -9.589 -12.915 354 HE1 TYR 46 HE1 TYR 46 3.956 -6.712 -14.508 355 HE2 TYR 46 HE2 TYR 46 0.112 -7.134 -12.702 356 HH TYR 46 HH TYR 46 1.965 -5.178 -12.548 357 H SER 47 H SER 47 5.270 -10.375 -16.042 358 HA SER 47 HA SER 47 7.311 -11.013 -14.046 359 1HB SER 47 2HB SER 47 7.206 -9.677 -16.692 360 2HB SER 47 1HB SER 47 8.421 -9.048 -15.584 361 HG SER 47 HG SER 47 8.972 -11.353 -15.265 362 H TYR 48 H TYR 48 6.056 -10.042 -12.249 363 HA TYR 48 HA TYR 48 5.157 -7.439 -11.923 364 1HB TYR 48 2HB TYR 48 6.383 -9.486 -10.173 365 2HB TYR 48 1HB TYR 48 6.409 -7.848 -9.542 366 HD1 TYR 48 HD1 TYR 48 3.731 -9.114 -11.780 367 HD2 TYR 48 HD2 TYR 48 4.922 -8.254 -7.762 368 HE1 TYR 48 HE1 TYR 48 1.386 -9.396 -11.010 369 HE2 TYR 48 HE2 TYR 48 2.582 -8.532 -6.990 370 HH TYR 48 HH TYR 48 0.167 -9.920 -8.970 371 H THR 49 H THR 49 6.446 -5.764 -10.436 372 HA THR 49 HA THR 49 8.579 -4.680 -11.983 373 HB THR 49 HB THR 49 8.978 -3.676 -9.425 374 HG1 THR 49 HG1 THR 49 7.073 -3.643 -8.428 375 1HG2 THR 49 1HG2 THR 49 7.717 -2.887 -11.924 376 2HG2 THR 49 2HG2 THR 49 8.663 -1.920 -10.794 377 3HG2 THR 49 3HG2 THR 49 6.932 -2.135 -10.535 378 H ALA 50 H ALA 50 10.078 -6.433 -12.296 379 HA ALA 50 HA ALA 50 11.289 -8.092 -10.447 380 1HB ALA 50 1HB ALA 50 11.963 -8.285 -12.735 381 2HB ALA 50 2HB ALA 50 13.411 -7.803 -11.851 382 3HB ALA 50 3HB ALA 50 12.510 -6.610 -12.787 383 H ALA 51 H ALA 51 12.081 -4.680 -11.085 384 HA ALA 51 HA ALA 51 14.294 -4.430 -9.355 385 1HB ALA 51 1HB ALA 51 12.101 -2.464 -10.059 386 2HB ALA 51 2HB ALA 51 13.711 -2.575 -10.768 387 3HB ALA 51 3HB ALA 51 13.518 -2.021 -9.106 388 H ASN 52 H ASN 52 11.005 -3.296 -8.475 389 HA ASN 52 HA ASN 52 11.259 -3.029 -5.764 390 1HB ASN 52 2HB ASN 52 9.063 -3.790 -7.549 391 2HB ASN 52 1HB ASN 52 8.858 -4.397 -5.906 392 1HD2 ASN 52 1HD2 ASN 52 9.527 -2.573 -4.174 393 2HD2 ASN 52 2HD2 ASN 52 8.879 -1.035 -4.487 394 H LYS 53 H LYS 53 10.883 -6.152 -7.443 395 HA LYS 53 HA LYS 53 10.645 -7.806 -5.164 396 1HB LYS 53 2HB LYS 53 10.379 -8.543 -7.553 397 2HB LYS 53 1HB LYS 53 12.136 -8.497 -7.709 398 1HG LYS 53 2HG LYS 53 11.198 -9.972 -5.343 399 2HG LYS 53 1HG LYS 53 10.692 -10.688 -6.874 400 1HD LYS 53 2HD LYS 53 13.004 -10.719 -7.664 401 2HD LYS 53 1HD LYS 53 13.543 -9.905 -6.194 402 1HE LYS 53 2HE LYS 53 12.162 -12.034 -5.160 403 2HE LYS 53 1HE LYS 53 12.847 -12.738 -6.625 404 1HZ LYS 53 1HZ LYS 53 14.982 -11.532 -5.805 405 2HZ LYS 53 2HZ LYS 53 14.545 -13.035 -5.144 406 3HZ LYS 53 3HZ LYS 53 14.220 -11.602 -4.292 407 H ASN 54 H ASN 54 13.670 -7.545 -7.054 408 HA ASN 54 HA ASN 54 15.326 -8.535 -4.975 409 1HB ASN 54 2HB ASN 54 16.149 -8.530 -7.232 410 2HB ASN 54 1HB ASN 54 15.954 -6.781 -7.358 411 1HD2 ASN 54 1HD2 ASN 54 17.590 -5.430 -6.416 412 2HD2 ASN 54 2HD2 ASN 54 19.014 -6.054 -5.737 413 H LYS 55 H LYS 55 13.761 -5.527 -5.181 414 HA LYS 55 HA LYS 55 15.715 -3.841 -3.950 415 1HB LYS 55 2HB LYS 55 13.530 -3.149 -5.108 416 2HB LYS 55 1HB LYS 55 12.728 -3.564 -3.593 417 1HG LYS 55 2HG LYS 55 13.223 -1.209 -3.508 418 2HG LYS 55 1HG LYS 55 14.352 -2.016 -2.419 419 1HD LYS 55 2HD LYS 55 15.455 -1.966 -5.082 420 2HD LYS 55 1HD LYS 55 14.984 -0.333 -4.606 421 1HE LYS 55 2HE LYS 55 16.733 -0.189 -3.197 422 2HE LYS 55 1HE LYS 55 16.243 -1.674 -2.381 423 1HZ LYS 55 1HZ LYS 55 17.432 -2.044 -4.992 424 2HZ LYS 55 2HZ LYS 55 17.696 -2.895 -3.545 425 3HZ LYS 55 3HZ LYS 55 18.484 -1.415 -3.819 426 H GLY 56 H GLY 56 14.102 -6.537 -2.725 427 1HA GLY 56 1HA GLY 56 13.756 -7.329 -0.534 428 2HA GLY 56 2HA GLY 56 15.221 -6.419 -0.159 429 H ILE 57 H ILE 57 11.935 -5.407 -1.135 430 HA ILE 57 HA ILE 57 11.892 -3.667 1.298 431 HB ILE 57 HB ILE 57 12.043 -2.594 -1.055 432 1HG1 ILE 57 2HG1 ILE 57 11.436 -1.379 1.025 433 2HG1 ILE 57 1HG1 ILE 57 10.561 -0.765 -0.378 434 1HG2 ILE 57 1HG2 ILE 57 9.088 -3.254 -1.046 435 2HG2 ILE 57 2HG2 ILE 57 10.276 -4.138 -2.003 436 3HG2 ILE 57 3HG2 ILE 57 9.997 -2.424 -2.309 437 1HD1 ILE 57 1HD1 ILE 57 9.545 -2.229 1.990 438 2HD1 ILE 57 2HD1 ILE 57 8.841 -2.692 0.440 439 3HD1 ILE 57 3HD1 ILE 57 8.749 -1.016 0.986 440 H ILE 58 H ILE 58 10.387 -4.360 2.746 441 HA ILE 58 HA ILE 58 8.298 -6.237 1.943 442 HB ILE 58 HB ILE 58 9.529 -6.196 4.198 443 1HG1 ILE 58 2HG1 ILE 58 7.468 -7.530 3.702 444 2HG1 ILE 58 1HG1 ILE 58 7.565 -7.017 5.386 445 1HG2 ILE 58 1HG2 ILE 58 8.848 -3.609 4.314 446 2HG2 ILE 58 2HG2 ILE 58 9.053 -4.582 5.770 447 3HG2 ILE 58 3HG2 ILE 58 7.438 -4.282 5.130 448 1HD1 ILE 58 1HD1 ILE 58 6.213 -4.921 4.476 449 2HD1 ILE 58 2HD1 ILE 58 5.380 -6.414 4.904 450 3HD1 ILE 58 3HD1 ILE 58 5.739 -6.060 3.215 451 H TRP 59 H TRP 59 6.375 -5.600 1.111 452 HA TRP 59 HA TRP 59 5.629 -2.856 0.890 453 1HB TRP 59 2HB TRP 59 4.153 -5.445 0.434 454 2HB TRP 59 1HB TRP 59 3.352 -3.884 0.237 455 HD1 TRP 59 HD1 TRP 59 4.741 -6.253 -1.919 456 HE1 TRP 59 HE1 TRP 59 5.917 -5.223 -3.971 457 HE3 TRP 59 HE3 TRP 59 5.300 -1.447 -0.291 458 HZ2 TRP 59 HZ2 TRP 59 6.961 -2.690 -4.805 459 HZ3 TRP 59 HZ3 TRP 59 6.386 0.251 -1.729 460 HH2 TRP 59 HH2 TRP 59 7.215 -0.363 -3.983 461 H GLY 60 H GLY 60 5.504 -1.867 2.914 462 1HA GLY 60 1HA GLY 60 3.379 -2.922 4.739 463 2HA GLY 60 2HA GLY 60 4.790 -2.027 5.306 464 H GLU 61 H GLU 61 2.873 -0.711 6.249 465 HA GLU 61 HA GLU 61 1.290 0.919 4.482 466 1HB GLU 61 2HB GLU 61 2.075 1.538 7.343 467 2HB GLU 61 1HB GLU 61 0.668 2.144 6.470 468 1HG GLU 61 2HG GLU 61 0.206 -0.473 6.161 469 2HG GLU 61 1HG GLU 61 1.146 -0.554 7.652 470 H ASP 62 H ASP 62 3.865 2.049 6.714 471 HA ASP 62 HA ASP 62 4.269 4.497 5.312 472 1HB ASP 62 2HB ASP 62 5.233 3.338 7.668 473 2HB ASP 62 1HB ASP 62 6.667 3.562 6.666 474 H THR 63 H THR 63 5.835 1.330 5.015 475 HA THR 63 HA THR 63 7.968 2.115 3.313 476 HB THR 63 HB THR 63 7.177 -0.423 2.424 477 HG1 THR 63 HG1 THR 63 7.000 -1.223 4.793 478 1HG2 THR 63 1HG2 THR 63 8.894 -0.951 4.471 479 2HG2 THR 63 2HG2 THR 63 9.184 0.772 4.233 480 3HG2 THR 63 3HG2 THR 63 9.402 -0.352 2.893 481 H LEU 64 H LEU 64 4.700 0.947 2.486 482 HA LEU 64 HA LEU 64 5.002 1.213 -0.346 483 1HB LEU 64 2HB LEU 64 3.084 0.156 1.212 484 2HB LEU 64 1HB LEU 64 2.332 1.716 0.881 485 HG LEU 64 HG LEU 64 3.371 -0.223 -1.207 486 1HD1 LEU 64 1HD1 LEU 64 0.628 0.455 -0.149 487 2HD1 LEU 64 2HD1 LEU 64 1.363 -1.136 -0.352 488 3HD1 LEU 64 3HD1 LEU 64 0.846 -0.214 -1.766 489 1HD2 LEU 64 1HD2 LEU 64 3.583 1.864 -2.229 490 2HD2 LEU 64 2HD2 LEU 64 2.265 2.569 -1.293 491 3HD2 LEU 64 3HD2 LEU 64 1.911 1.467 -2.625 492 H MET 65 H MET 65 4.122 3.494 2.188 493 HA MET 65 HA MET 65 3.057 5.581 0.614 494 1HB MET 65 2HB MET 65 3.124 5.553 3.113 495 2HB MET 65 1HB MET 65 4.857 5.876 3.037 496 1HG MET 65 2HG MET 65 3.993 7.855 1.433 497 2HG MET 65 1HG MET 65 2.565 7.685 2.455 498 1HE MET 65 1HE MET 65 6.851 8.137 3.648 499 2HE MET 65 2HE MET 65 6.327 9.492 2.651 500 3HE MET 65 3HE MET 65 6.115 7.844 2.066 501 H GLU 66 H GLU 66 6.441 4.767 1.338 502 HA GLU 66 HA GLU 66 7.554 7.043 -0.012 503 1HB GLU 66 2HB GLU 66 8.698 5.464 1.673 504 2HB GLU 66 1HB GLU 66 8.944 4.384 0.301 505 1HG GLU 66 2HG GLU 66 10.865 5.585 0.028 506 2HG GLU 66 1HG GLU 66 9.793 6.738 -0.767 507 H TYR 67 H TYR 67 7.311 3.610 -1.030 508 HA TYR 67 HA TYR 67 8.303 3.863 -3.628 509 1HB TYR 67 2HB TYR 67 7.660 1.694 -2.708 510 2HB TYR 67 1HB TYR 67 5.963 2.176 -2.691 511 HD1 TYR 67 HD1 TYR 67 4.626 2.098 -4.674 512 HD2 TYR 67 HD2 TYR 67 8.864 1.476 -4.896 513 HE1 TYR 67 HE1 TYR 67 4.391 1.358 -7.028 514 HE2 TYR 67 HE2 TYR 67 8.634 0.734 -7.252 515 HH TYR 67 HH TYR 67 6.375 1.366 -9.161 516 H LEU 68 H LEU 68 5.132 4.791 -2.394 517 HA LEU 68 HA LEU 68 4.039 5.377 -5.026 518 1HB LEU 68 2HB LEU 68 3.079 5.263 -2.332 519 2HB LEU 68 1HB LEU 68 2.680 6.847 -2.994 520 HG LEU 68 HG LEU 68 1.731 5.707 -5.011 521 1HD1 LEU 68 1HD1 LEU 68 1.558 3.129 -3.554 522 2HD1 LEU 68 2HD1 LEU 68 3.153 3.534 -4.188 523 3HD1 LEU 68 3HD1 LEU 68 1.770 3.435 -5.277 524 1HD2 LEU 68 1HD2 LEU 68 0.360 4.526 -2.621 525 2HD2 LEU 68 2HD2 LEU 68 -0.332 5.397 -3.989 526 3HD2 LEU 68 3HD2 LEU 68 0.515 6.281 -2.720 527 H GLU 69 H GLU 69 5.618 7.231 -2.461 528 HA GLU 69 HA GLU 69 5.167 9.838 -3.501 529 1HB GLU 69 2HB GLU 69 6.342 8.946 -1.291 530 2HB GLU 69 1HB GLU 69 7.794 9.099 -2.269 531 1HG GLU 69 2HG GLU 69 7.491 11.427 -2.573 532 2HG GLU 69 1HG GLU 69 5.804 11.359 -2.059 533 H ASN 70 H ASN 70 7.152 7.210 -4.470 534 HA ASN 70 HA ASN 70 7.824 8.421 -6.999 535 1HB ASN 70 2HB ASN 70 10.426 7.972 -6.233 536 2HB ASN 70 1HB ASN 70 9.669 9.563 -6.298 537 1HD2 ASN 70 1HD2 ASN 70 10.144 10.687 -4.408 538 2HD2 ASN 70 2HD2 ASN 70 10.187 10.010 -2.851 539 HA PRO 71 HA PRO 71 7.918 3.880 -6.945 540 1HB PRO 71 2HB PRO 71 6.534 3.634 -9.311 541 2HB PRO 71 1HB PRO 71 5.744 3.803 -7.734 542 1HG PRO 71 2HG PRO 71 6.027 5.811 -9.916 543 2HG PRO 71 1HG PRO 71 4.802 5.706 -8.640 544 1HD PRO 71 2HD PRO 71 7.037 7.459 -8.679 545 2HD PRO 71 1HD PRO 71 5.971 7.147 -7.293 546 H LYS 72 H LYS 72 8.363 6.007 -9.772 547 HA LYS 72 HA LYS 72 10.146 4.150 -11.114 548 1HB LYS 72 2HB LYS 72 8.597 5.880 -12.209 549 2HB LYS 72 1HB LYS 72 9.801 7.080 -11.748 550 1HG LYS 72 2HG LYS 72 11.532 5.769 -12.971 551 2HG LYS 72 1HG LYS 72 10.272 4.652 -13.499 552 1HD LYS 72 2HD LYS 72 9.111 6.429 -14.677 553 2HD LYS 72 1HD LYS 72 10.232 7.633 -14.042 554 1HE LYS 72 2HE LYS 72 12.068 6.690 -15.287 555 2HE LYS 72 1HE LYS 72 11.097 5.298 -15.768 556 1HZ LYS 72 1HZ LYS 72 11.107 8.004 -16.815 557 2HZ LYS 72 2HZ LYS 72 9.572 7.299 -16.633 558 3HZ LYS 72 3HZ LYS 72 10.751 6.539 -17.593 559 H LYS 73 H LYS 73 10.488 6.725 -8.813 560 HA LYS 73 HA LYS 73 13.381 7.009 -9.377 561 1HB LYS 73 2HB LYS 73 12.552 9.113 -8.858 562 2HB LYS 73 1HB LYS 73 11.365 8.481 -7.723 563 1HG LYS 73 2HG LYS 73 13.119 9.675 -6.503 564 2HG LYS 73 1HG LYS 73 13.208 7.952 -6.132 565 1HD LYS 73 2HD LYS 73 15.455 8.683 -6.561 566 2HD LYS 73 1HD LYS 73 14.945 7.756 -7.972 567 1HE LYS 73 2HE LYS 73 14.096 10.308 -8.594 568 2HE LYS 73 1HE LYS 73 15.620 10.604 -7.757 569 1HZ LYS 73 1HZ LYS 73 15.993 10.275 -10.107 570 2HZ LYS 73 2HZ LYS 73 15.212 8.767 -10.056 571 3HZ LYS 73 3HZ LYS 73 16.680 8.994 -9.233 572 H TYR 74 H TYR 74 11.201 5.692 -6.925 573 HA TYR 74 HA TYR 74 13.323 4.977 -5.075 574 1HB TYR 74 2HB TYR 74 10.979 5.277 -4.330 575 2HB TYR 74 1HB TYR 74 10.489 3.911 -5.332 576 HD1 TYR 74 HD1 TYR 74 9.667 2.553 -3.494 577 HD2 TYR 74 HD2 TYR 74 13.711 4.005 -3.521 578 HE1 TYR 74 HE1 TYR 74 10.238 0.996 -1.649 579 HE2 TYR 74 HE2 TYR 74 14.280 2.445 -1.677 580 HH TYR 74 HH TYR 74 12.094 1.000 0.249 581 H ILE 75 H ILE 75 11.119 2.864 -6.945 582 HA ILE 75 HA ILE 75 13.227 0.811 -7.039 583 HB ILE 75 HB ILE 75 10.380 0.664 -8.035 584 1HG1 ILE 75 2HG1 ILE 75 10.539 1.475 -5.655 585 2HG1 ILE 75 1HG1 ILE 75 9.724 -0.077 -5.832 586 1HG2 ILE 75 1HG2 ILE 75 12.369 -1.381 -7.037 587 2HG2 ILE 75 2HG2 ILE 75 11.859 -1.145 -8.710 588 3HG2 ILE 75 3HG2 ILE 75 10.706 -1.725 -7.510 589 1HD1 ILE 75 1HD1 ILE 75 12.156 -1.045 -5.471 590 2HD1 ILE 75 2HD1 ILE 75 11.188 -0.543 -4.088 591 3HD1 ILE 75 3HD1 ILE 75 12.441 0.524 -4.720 592 HA PRO 76 HA PRO 76 13.883 2.365 -11.222 593 1HB PRO 76 2HB PRO 76 16.255 1.019 -11.579 594 2HB PRO 76 1HB PRO 76 16.130 2.569 -10.729 595 1HG PRO 76 2HG PRO 76 16.538 -0.163 -9.600 596 2HG PRO 76 1HG PRO 76 17.018 1.409 -8.938 597 1HD PRO 76 2HD PRO 76 14.788 -0.122 -8.109 598 2HD PRO 76 1HD PRO 76 15.090 1.583 -7.711 599 H GLY 77 H GLY 77 11.934 0.761 -11.492 600 1HA GLY 77 2HA GLY 77 12.634 -1.153 -13.540 601 2HA GLY 77 1HA GLY 77 12.157 -1.956 -12.043 602 H THR 78 H THR 78 10.124 -0.276 -11.115 603 HA THR 78 HA THR 78 7.898 -1.128 -12.670 604 HB THR 78 HB THR 78 7.841 -0.294 -10.249 605 HG1 THR 78 HG1 THR 78 5.778 -0.203 -10.603 606 1HG2 THR 78 1HG2 THR 78 8.883 2.008 -11.334 607 2HG2 THR 78 2HG2 THR 78 8.078 1.916 -9.768 608 3HG2 THR 78 3HG2 THR 78 7.172 2.415 -11.198 609 H LYS 79 H LYS 79 6.335 0.311 -13.799 610 HA LYS 79 HA LYS 79 7.697 2.585 -15.168 611 1HB LYS 79 2HB LYS 79 6.174 0.276 -16.375 612 2HB LYS 79 1HB LYS 79 6.286 1.825 -17.213 613 1HG LYS 79 2HG LYS 79 8.901 1.257 -16.339 614 2HG LYS 79 1HG LYS 79 8.278 -0.264 -16.981 615 1HD LYS 79 2HD LYS 79 8.931 0.619 -18.984 616 2HD LYS 79 1HD LYS 79 7.386 1.465 -18.880 617 1HE LYS 79 2HE LYS 79 8.375 3.464 -18.177 618 2HE LYS 79 1HE LYS 79 9.826 2.654 -17.588 619 1HZ LYS 79 1HZ LYS 79 9.327 3.752 -20.137 620 2HZ LYS 79 2HZ LYS 79 9.629 2.088 -20.295 621 3HZ LYS 79 3HZ LYS 79 10.766 3.092 -19.529 622 H MET 80 H MET 80 5.369 1.867 -13.055 623 HA MET 80 HA MET 80 3.092 3.165 -14.315 624 1HB MET 80 2HB MET 80 2.024 3.054 -12.115 625 2HB MET 80 1HB MET 80 2.808 1.529 -12.491 626 1HG MET 80 2HG MET 80 4.597 1.957 -11.041 627 2HG MET 80 1HG MET 80 4.182 3.636 -10.864 628 1HE MET 80 1HE MET 80 2.983 4.622 -9.613 629 2HE MET 80 2HE MET 80 2.922 4.033 -7.954 630 3HE MET 80 3HE MET 80 1.439 4.135 -8.898 631 H ILE 81 H ILE 81 3.032 5.232 -14.750 632 HA ILE 81 HA ILE 81 4.706 7.155 -13.235 633 HB ILE 81 HB ILE 81 2.974 7.632 -15.682 634 1HG1 ILE 81 2HG1 ILE 81 4.686 5.970 -16.205 635 2HG1 ILE 81 1HG1 ILE 81 5.142 7.514 -16.926 636 1HG2 ILE 81 1HG2 ILE 81 5.380 9.262 -15.074 637 2HG2 ILE 81 2HG2 ILE 81 4.006 9.484 -13.991 638 3HG2 ILE 81 3HG2 ILE 81 3.818 9.760 -15.722 639 1HD1 ILE 81 1HD1 ILE 81 6.389 6.038 -14.663 640 2HD1 ILE 81 2HD1 ILE 81 6.338 7.796 -14.531 641 3HD1 ILE 81 3HD1 ILE 81 7.142 7.038 -15.906 642 H PHE 82 H PHE 82 2.430 5.920 -11.998 643 HA PHE 82 HA PHE 82 0.069 7.475 -12.020 644 1HB PHE 82 2HB PHE 82 -0.142 5.455 -10.892 645 2HB PHE 82 1HB PHE 82 1.411 5.629 -10.081 646 HD1 PHE 82 HD1 PHE 82 1.589 6.666 -7.941 647 HD2 PHE 82 HD2 PHE 82 -2.067 6.877 -10.177 648 HE1 PHE 82 HE1 PHE 82 0.425 7.609 -5.955 649 HE2 PHE 82 HE2 PHE 82 -3.233 7.817 -8.199 650 HZ PHE 82 HZ PHE 82 -1.989 8.180 -6.089 651 H VAL 83 H VAL 83 3.107 7.917 -10.294 652 HA VAL 83 HA VAL 83 2.755 9.630 -8.275 653 HB VAL 83 HB VAL 83 4.648 11.083 -9.385 654 1HG1 VAL 83 1HG1 VAL 83 6.226 9.102 -8.962 655 2HG1 VAL 83 2HG1 VAL 83 4.773 8.160 -8.623 656 3HG1 VAL 83 3HG1 VAL 83 5.169 9.561 -7.627 657 1HG2 VAL 83 1HG2 VAL 83 3.931 10.032 -11.663 658 2HG2 VAL 83 2HG2 VAL 83 4.825 8.616 -11.110 659 3HG2 VAL 83 3HG2 VAL 83 5.654 10.159 -11.309 660 H GLY 84 H GLY 84 1.045 11.006 -8.069 661 1HA GLY 84 2HA GLY 84 1.064 13.500 -9.564 662 2HA GLY 84 1HA GLY 84 -0.319 12.483 -9.974 663 H ILE 85 H ILE 85 1.053 12.339 -6.774 664 HA ILE 85 HA ILE 85 -1.444 13.575 -5.715 665 HB ILE 85 HB ILE 85 0.580 12.011 -4.109 666 1HG1 ILE 85 2HG1 ILE 85 -1.726 10.957 -5.775 667 2HG1 ILE 85 1HG1 ILE 85 -0.015 10.577 -5.985 668 1HG2 ILE 85 1HG2 ILE 85 -1.211 13.327 -2.958 669 2HG2 ILE 85 2HG2 ILE 85 -1.341 11.592 -2.671 670 3HG2 ILE 85 3HG2 ILE 85 -2.418 12.377 -3.826 671 1HD1 ILE 85 1HD1 ILE 85 -0.822 10.075 -3.253 672 2HD1 ILE 85 2HD1 ILE 85 -0.127 8.958 -4.426 673 3HD1 ILE 85 3HD1 ILE 85 -1.872 9.203 -4.369 674 H LYS 86 H LYS 86 -1.204 14.995 -3.801 675 HA LYS 86 HA LYS 86 1.473 16.161 -3.361 676 1HB LYS 86 2HB LYS 86 0.046 17.312 -5.323 677 2HB LYS 86 1HB LYS 86 -0.681 18.139 -3.945 678 1HG LYS 86 2HG LYS 86 1.194 19.352 -3.533 679 2HG LYS 86 1HG LYS 86 2.255 17.971 -3.819 680 1HD LYS 86 2HD LYS 86 0.990 18.760 -6.292 681 2HD LYS 86 1HD LYS 86 1.786 20.152 -5.555 682 1HE LYS 86 2HE LYS 86 3.787 18.526 -5.193 683 2HE LYS 86 1HE LYS 86 2.993 17.528 -6.410 684 1HZ LYS 86 1HZ LYS 86 4.636 19.110 -7.328 685 2HZ LYS 86 2HZ LYS 86 3.665 20.394 -6.787 686 3HZ LYS 86 3HZ LYS 86 3.077 19.318 -7.964 687 H LYS 87 H LYS 87 -0.145 14.670 -1.608 688 HA LYS 87 HA LYS 87 -0.427 16.583 0.578 689 1HB LYS 87 2HB LYS 87 -2.611 16.769 -0.694 690 2HB LYS 87 1HB LYS 87 -2.907 15.077 -0.295 691 1HG LYS 87 2HG LYS 87 -2.603 15.689 2.138 692 2HG LYS 87 1HG LYS 87 -2.572 17.381 1.641 693 1HD LYS 87 2HD LYS 87 -4.824 15.862 0.515 694 2HD LYS 87 1HD LYS 87 -4.853 15.975 2.275 695 1HE LYS 87 2HE LYS 87 -4.352 18.406 0.560 696 2HE LYS 87 1HE LYS 87 -5.990 17.878 0.944 697 1HZ LYS 87 1HZ LYS 87 -5.792 18.531 3.061 698 2HZ LYS 87 2HZ LYS 87 -4.512 19.494 2.492 699 3HZ LYS 87 3HZ LYS 87 -4.193 17.983 3.203 700 H LYS 88 H LYS 88 0.560 15.451 2.172 701 HA LYS 88 HA LYS 88 1.042 12.683 2.217 702 1HB LYS 88 2HB LYS 88 2.264 14.095 3.723 703 2HB LYS 88 1HB LYS 88 0.781 14.680 4.477 704 1HG LYS 88 2HG LYS 88 1.785 13.024 5.942 705 2HG LYS 88 1HG LYS 88 0.316 12.337 5.246 706 1HD LYS 88 2HD LYS 88 2.044 11.531 3.369 707 2HD LYS 88 1HD LYS 88 3.169 11.637 4.724 708 1HE LYS 88 2HE LYS 88 0.545 10.120 4.788 709 2HE LYS 88 1HE LYS 88 2.124 9.379 4.520 710 1HZ LYS 88 1HZ LYS 88 1.818 9.155 6.783 711 2HZ LYS 88 2HZ LYS 88 1.074 10.673 6.950 712 3HZ LYS 88 3HZ LYS 88 2.750 10.570 6.691 713 H GLU 89 H GLU 89 -1.743 14.492 3.456 714 HA GLU 89 HA GLU 89 -2.994 12.368 4.867 715 1HB GLU 89 2HB GLU 89 -3.933 14.908 3.595 716 2HB GLU 89 1HB GLU 89 -5.144 13.726 4.097 717 1HG GLU 89 2HG GLU 89 -3.007 14.248 6.077 718 2HG GLU 89 1HG GLU 89 -4.085 15.608 5.761 719 H GLU 90 H GLU 90 -3.099 13.269 1.434 720 HA GLU 90 HA GLU 90 -5.154 11.439 0.659 721 1HB GLU 90 2HB GLU 90 -2.831 12.655 -0.850 722 2HB GLU 90 1HB GLU 90 -4.011 11.598 -1.626 723 1HG GLU 90 2HG GLU 90 -5.016 13.894 0.014 724 2HG GLU 90 1HG GLU 90 -4.368 14.226 -1.593 725 H ARG 91 H ARG 91 -1.596 11.088 0.618 726 HA ARG 91 HA ARG 91 -1.450 8.461 -0.379 727 1HB ARG 91 2HB ARG 91 0.282 9.671 1.799 728 2HB ARG 91 1HB ARG 91 0.714 8.317 0.756 729 1HG ARG 91 2HG ARG 91 0.639 9.743 -1.214 730 2HG ARG 91 1HG ARG 91 0.052 11.099 -0.250 731 1HD ARG 91 2HD ARG 91 2.179 10.903 1.122 732 2HD ARG 91 1HD ARG 91 2.766 9.767 -0.094 733 HE ARG 91 HE ARG 91 2.066 11.910 -1.633 734 1HH1 ARG 91 1HH1 ARG 91 4.371 11.159 0.753 735 2HH1 ARG 91 2HH1 ARG 91 5.159 12.700 0.697 736 1HH2 ARG 91 1HH2 ARG 91 2.850 14.096 -1.482 737 2HH2 ARG 91 2HH2 ARG 91 4.297 14.365 -0.569 738 H ALA 92 H ALA 92 -1.912 9.567 2.968 739 HA ALA 92 HA ALA 92 -1.900 7.031 4.228 740 1HB ALA 92 1HB ALA 92 -3.877 8.872 5.339 741 2HB ALA 92 2HB ALA 92 -2.335 9.662 5.011 742 3HB ALA 92 3HB ALA 92 -2.396 8.249 6.065 743 H ASP 93 H ASP 93 -4.451 8.740 2.496 744 HA ASP 93 HA ASP 93 -6.584 6.984 3.277 745 1HB ASP 93 2HB ASP 93 -6.188 9.014 1.106 746 2HB ASP 93 1HB ASP 93 -7.577 7.928 1.026 747 H LEU 94 H LEU 94 -4.132 6.816 0.762 748 HA LEU 94 HA LEU 94 -5.446 4.768 -0.799 749 1HB LEU 94 2HB LEU 94 -2.481 5.368 -0.591 750 2HB LEU 94 1HB LEU 94 -3.292 4.511 -1.901 751 HG LEU 94 HG LEU 94 -3.899 7.375 -1.119 752 1HD1 LEU 94 1HD1 LEU 94 -2.613 8.027 -3.076 753 2HD1 LEU 94 2HD1 LEU 94 -2.301 6.339 -3.479 754 3HD1 LEU 94 3HD1 LEU 94 -1.584 7.048 -2.032 755 1HD2 LEU 94 1HD2 LEU 94 -4.602 5.820 -3.625 756 2HD2 LEU 94 2HD2 LEU 94 -5.180 7.423 -3.168 757 3HD2 LEU 94 3HD2 LEU 94 -5.699 6.005 -2.256 758 H ILE 95 H ILE 95 -2.553 4.526 1.295 759 HA ILE 95 HA ILE 95 -2.575 1.682 1.461 760 HB ILE 95 HB ILE 95 -1.435 3.878 3.185 761 1HG1 ILE 95 2HG1 ILE 95 0.642 3.185 2.280 762 2HG1 ILE 95 1HG1 ILE 95 0.004 1.616 1.790 763 1HG2 ILE 95 1HG2 ILE 95 -0.312 2.160 4.553 764 2HG2 ILE 95 2HG2 ILE 95 -1.192 0.896 3.697 765 3HG2 ILE 95 3HG2 ILE 95 -2.063 2.041 4.716 766 1HD1 ILE 95 1HD1 ILE 95 0.294 3.141 -0.147 767 2HD1 ILE 95 2HD1 ILE 95 -0.828 4.280 0.599 768 3HD1 ILE 95 3HD1 ILE 95 -1.394 2.690 0.087 769 H ALA 96 H ALA 96 -4.276 4.155 3.264 770 HA ALA 96 HA ALA 96 -5.175 2.597 5.457 771 1HB ALA 96 1HB ALA 96 -5.556 4.906 5.659 772 2HB ALA 96 2HB ALA 96 -7.172 4.267 5.357 773 3HB ALA 96 3HB ALA 96 -6.264 5.024 4.048 774 H TYR 97 H TYR 97 -6.567 3.033 2.203 775 HA TYR 97 HA TYR 97 -8.925 1.486 2.757 776 1HB TYR 97 2HB TYR 97 -8.992 2.958 0.864 777 2HB TYR 97 1HB TYR 97 -7.546 2.226 0.166 778 HD1 TYR 97 HD1 TYR 97 -7.937 0.796 -1.627 779 HD2 TYR 97 HD2 TYR 97 -10.840 1.034 1.527 780 HE1 TYR 97 HE1 TYR 97 -9.341 -0.884 -2.792 781 HE2 TYR 97 HE2 TYR 97 -12.248 -0.639 0.359 782 HH TYR 97 HH TYR 97 -11.892 -1.452 -2.805 783 H LEU 98 H LEU 98 -5.837 0.678 1.142 784 HA LEU 98 HA LEU 98 -6.516 -2.090 0.748 785 1HB LEU 98 2HB LEU 98 -4.068 -0.419 0.559 786 2HB LEU 98 1HB LEU 98 -3.801 -2.137 0.850 787 HG LEU 98 HG LEU 98 -3.836 -1.799 -1.541 788 1HD1 LEU 98 1HD1 LEU 98 -5.052 -3.672 -1.817 789 2HD1 LEU 98 2HD1 LEU 98 -6.551 -2.794 -1.516 790 3HD1 LEU 98 3HD1 LEU 98 -5.642 -3.472 -0.167 791 1HD2 LEU 98 1HD2 LEU 98 -6.503 -0.953 -2.041 792 2HD2 LEU 98 2HD2 LEU 98 -5.012 -0.082 -2.400 793 3HD2 LEU 98 3HD2 LEU 98 -5.826 0.162 -0.855 794 H LYS 99 H LYS 99 -5.618 -0.293 3.514 795 HA LYS 99 HA LYS 99 -4.356 -2.418 4.999 796 1HB LYS 99 2HB LYS 99 -4.640 0.286 5.361 797 2HB LYS 99 1HB LYS 99 -5.773 -0.355 6.550 798 1HG LYS 99 2HG LYS 99 -3.614 -2.009 6.904 799 2HG LYS 99 1HG LYS 99 -2.829 -0.480 6.507 800 1HD LYS 99 2HD LYS 99 -3.092 -0.164 8.776 801 2HD LYS 99 1HD LYS 99 -4.649 0.458 8.229 802 1HE LYS 99 2HE LYS 99 -5.641 -1.091 9.530 803 2HE LYS 99 1HE LYS 99 -5.003 -2.323 8.441 804 1HZ LYS 99 1HZ LYS 99 -3.219 -1.228 10.489 805 2HZ LYS 99 2HZ LYS 99 -3.277 -2.791 9.822 806 3HZ LYS 99 3HZ LYS 99 -4.421 -2.316 10.985 807 H LYS 100 H LYS 100 -7.652 -1.036 5.048 808 HA LYS 100 HA LYS 100 -8.604 -3.097 6.888 809 1HB LYS 100 2HB LYS 100 -9.548 -0.789 6.817 810 2HB LYS 100 1HB LYS 100 -10.183 -1.133 5.207 811 1HG LYS 100 2HG LYS 100 -11.380 -3.129 6.232 812 2HG LYS 100 1HG LYS 100 -10.935 -2.478 7.811 813 1HD LYS 100 2HD LYS 100 -12.479 -0.819 7.691 814 2HD LYS 100 1HD LYS 100 -12.117 -0.487 5.997 815 1HE LYS 100 2HE LYS 100 -13.305 -2.960 5.841 816 2HE LYS 100 1HE LYS 100 -14.196 -2.213 7.166 817 1HZ LYS 100 1HZ LYS 100 -13.693 -0.652 4.734 818 2HZ LYS 100 2HZ LYS 100 -14.984 -0.553 5.834 819 3HZ LYS 100 3HZ LYS 100 -14.917 -1.825 4.710 820 H ALA 101 H ALA 101 -8.498 -2.629 3.433 821 HA ALA 101 HA ALA 101 -10.519 -4.541 2.741 822 1HB ALA 101 1HB ALA 101 -9.719 -2.822 1.162 823 2HB ALA 101 2HB ALA 101 -9.541 -4.440 0.483 824 3HB ALA 101 3HB ALA 101 -8.135 -3.593 1.129 825 H THR 102 H THR 102 -6.949 -4.822 2.506 826 HA THR 102 HA THR 102 -7.326 -7.781 2.736 827 HB THR 102 HB THR 102 -4.691 -7.222 1.889 828 HG1 THR 102 HG1 THR 102 -5.252 -5.983 -0.016 829 1HG2 THR 102 1HG2 THR 102 -5.844 -8.025 -0.365 830 2HG2 THR 102 2HG2 THR 102 -7.199 -8.347 0.716 831 3HG2 THR 102 3HG2 THR 102 -5.642 -9.129 0.995 832 H ASN 103 H ASN 103 -5.612 -5.009 4.077 833 HA ASN 103 HA ASN 103 -3.915 -6.675 5.757 834 1HB ASN 103 2HB ASN 103 -3.664 -4.135 4.852 835 2HB ASN 103 1HB ASN 103 -4.289 -3.828 6.472 836 1HD2 ASN 103 1HD2 ASN 103 -2.400 -3.239 7.613 837 2HD2 ASN 103 2HD2 ASN 103 -1.013 -4.211 7.712 838 H GLU 104 HN GLU 104 -7.089 -6.388 5.899 839 HA GLU 104 HA GLU 104 -7.099 -6.512 8.873 840 1HB GLU 104 2HB GLU 104 -7.833 -4.232 8.219 841 2HB GLU 104 1HB GLU 104 -9.106 -4.943 7.226 842 1HG GLU 104 2HG GLU 104 -10.438 -5.072 9.033 843 2HG GLU 104 1HG GLU 104 -9.267 -6.139 9.809 844 HHA HEC 105 HHA HEC 105 4.199 -2.633 -9.155 845 HHB HEC 105 HHB HEC 105 0.946 0.832 -4.997 846 HHC HEC 105 HHC HEC 105 -2.090 3.697 -9.749 847 HHD HEC 105 HHD HEC 105 1.077 0.140 -13.898 848 1HMA HEC 105 1HMA HEC 105 2.288 -1.947 -4.031 849 2HMA HEC 105 2HMA HEC 105 2.377 -0.188 -3.952 850 3HMA HEC 105 3HMA HEC 105 3.854 -1.139 -4.096 851 1HAA HEC 105 1HAA HEC 105 4.924 -2.567 -5.565 852 2HAA HEC 105 2HAA HEC 105 5.095 -2.879 -7.283 853 1HBA HEC 105 1HBA HEC 105 2.668 -4.104 -6.519 854 2HBA HEC 105 2HBA HEC 105 3.837 -4.508 -5.261 855 1HMB HEC 105 1HMB HEC 105 -2.034 3.031 -4.563 856 2HMB HEC 105 2HMB HEC 105 -0.343 3.490 -4.375 857 3HMB HEC 105 3HMB HEC 105 -0.819 1.803 -4.199 858 HAB HEC 105 HAB HEC 105 -2.670 4.653 -8.008 859 1HBB HEC 105 1HBB HEC 105 -2.888 6.063 -6.219 860 2HBB HEC 105 2HBB HEC 105 -1.210 5.526 -6.120 861 3HBB HEC 105 3HBB HEC 105 -2.425 4.826 -5.051 862 1HMC HEC 105 1HMC HEC 105 -3.206 3.281 -12.992 863 2HMC HEC 105 2HMC HEC 105 -2.750 4.201 -11.557 864 3HMC HEC 105 3HMC HEC 105 -1.962 4.527 -13.101 865 HAC HEC 105 HAC HEC 105 -0.004 1.555 -14.993 866 1HBC HEC 105 1HBC HEC 105 -2.244 3.513 -14.927 867 2HBC HEC 105 2HBC HEC 105 -1.072 3.189 -16.205 868 3HBC HEC 105 3HBC HEC 105 -0.561 4.003 -14.725 869 1HMD HEC 105 1HMD HEC 105 3.941 -2.315 -14.313 870 2HMD HEC 105 2HMD HEC 105 2.196 -2.243 -14.558 871 3HMD HEC 105 3HMD HEC 105 3.163 -0.771 -14.663 872 1HAD HEC 105 1HAD HEC 105 5.489 -2.739 -12.082 873 2HAD HEC 105 2HAD HEC 105 4.639 -3.656 -10.851 874 1HBD HEC 105 1HBD HEC 105 3.328 -3.886 -13.435 875 2HBD HEC 105 2HBD HEC 105 3.910 -5.154 -12.359 Start of MODEL 20 1 1H GLY 1 1HT GLY 1 -10.173 7.797 8.747 2 2H GLY 1 2HT GLY 1 -9.681 9.313 9.334 3 3H GLY 1 3HT GLY 1 -8.761 8.519 8.146 4 1HA GLY 1 1HA GLY 1 -10.747 10.383 7.733 5 2HA GLY 1 2HA GLY 1 -9.954 9.389 6.510 6 H ASP 2 H ASP 2 -12.098 9.436 5.426 7 HA ASP 2 HA ASP 2 -14.287 7.971 6.734 8 1HB ASP 2 2HB ASP 2 -13.926 9.490 4.188 9 2HB ASP 2 1HB ASP 2 -15.182 8.252 4.229 10 H VAL 3 H VAL 3 -15.310 6.112 5.486 11 HA VAL 3 HA VAL 3 -13.155 4.252 4.650 12 HB VAL 3 HB VAL 3 -16.081 3.758 5.283 13 1HG1 VAL 3 1HG1 VAL 3 -13.801 1.973 4.453 14 2HG1 VAL 3 2HG1 VAL 3 -15.457 2.001 3.849 15 3HG1 VAL 3 3HG1 VAL 3 -15.114 1.344 5.449 16 1HG2 VAL 3 1HG2 VAL 3 -13.528 3.644 6.860 17 2HG2 VAL 3 2HG2 VAL 3 -14.815 2.497 7.233 18 3HG2 VAL 3 3HG2 VAL 3 -15.117 4.230 7.353 19 H GLU 4 H GLU 4 -16.495 4.973 3.554 20 HA GLU 4 HA GLU 4 -16.139 3.829 0.960 21 1HB GLU 4 2HB GLU 4 -18.239 5.030 2.381 22 2HB GLU 4 1HB GLU 4 -18.013 6.053 0.962 23 1HG GLU 4 2HG GLU 4 -17.793 3.425 0.000 24 2HG GLU 4 1HG GLU 4 -19.148 3.385 1.130 25 H LYS 5 H LYS 5 -14.906 6.694 2.319 26 HA LYS 5 HA LYS 5 -14.784 8.250 -0.143 27 1HB LYS 5 2HB LYS 5 -14.589 8.950 2.446 28 2HB LYS 5 1HB LYS 5 -12.872 8.779 2.081 29 1HG LYS 5 2HG LYS 5 -12.879 10.517 0.555 30 2HG LYS 5 1HG LYS 5 -14.579 10.288 0.142 31 1HD LYS 5 2HD LYS 5 -13.905 11.132 2.933 32 2HD LYS 5 1HD LYS 5 -13.810 12.338 1.649 33 1HE LYS 5 2HE LYS 5 -16.129 11.805 0.980 34 2HE LYS 5 1HE LYS 5 -16.224 10.613 2.276 35 1HZ LYS 5 1HZ LYS 5 -15.326 13.191 3.166 36 2HZ LYS 5 2HZ LYS 5 -16.547 12.191 3.794 37 3HZ LYS 5 3HZ LYS 5 -16.884 13.232 2.494 38 H GLY 6 H GLY 6 -12.176 6.823 1.866 39 1HA GLY 6 1HA GLY 6 -10.141 7.041 -0.086 40 2HA GLY 6 2HA GLY 6 -10.138 5.855 1.218 41 H LYS 7 H LYS 7 -12.645 4.595 0.339 42 HA LYS 7 HA LYS 7 -11.552 2.644 -1.451 43 1HB LYS 7 2HB LYS 7 -13.555 2.454 0.210 44 2HB LYS 7 1HB LYS 7 -14.513 3.092 -1.127 45 1HG LYS 7 2HG LYS 7 -13.445 1.253 -2.563 46 2HG LYS 7 1HG LYS 7 -12.902 0.538 -1.045 47 1HD LYS 7 2HD LYS 7 -15.169 0.295 -0.263 48 2HD LYS 7 1HD LYS 7 -15.792 1.233 -1.621 49 1HE LYS 7 2HE LYS 7 -14.577 -0.613 -3.062 50 2HE LYS 7 1HE LYS 7 -14.722 -1.570 -1.589 51 1HZ LYS 7 1HZ LYS 7 -16.931 -1.733 -1.813 52 2HZ LYS 7 2HZ LYS 7 -16.636 -1.357 -3.443 53 3HZ LYS 7 3HZ LYS 7 -17.112 -0.138 -2.360 54 H LYS 8 H LYS 8 -13.502 5.540 -1.968 55 HA LYS 8 HA LYS 8 -14.003 4.947 -4.775 56 1HB LYS 8 2HB LYS 8 -15.321 6.528 -3.129 57 2HB LYS 8 1HB LYS 8 -14.131 7.724 -3.641 58 1HG LYS 8 2HG LYS 8 -15.045 7.914 -5.710 59 2HG LYS 8 1HG LYS 8 -15.262 6.171 -5.865 60 1HD LYS 8 2HD LYS 8 -17.245 6.315 -4.365 61 2HD LYS 8 1HD LYS 8 -17.054 8.067 -4.321 62 1HE LYS 8 2HE LYS 8 -18.128 8.278 -6.286 63 2HE LYS 8 1HE LYS 8 -17.003 7.159 -7.057 64 1HZ LYS 8 1HZ LYS 8 -19.430 6.496 -7.010 65 2HZ LYS 8 2HZ LYS 8 -19.226 6.217 -5.347 66 3HZ LYS 8 3HZ LYS 8 -18.317 5.333 -6.479 67 H ILE 9 H ILE 9 -11.456 6.458 -2.942 68 HA ILE 9 HA ILE 9 -10.315 7.977 -5.122 69 HB ILE 9 HB ILE 9 -8.778 6.822 -2.785 70 1HG1 ILE 9 2HG1 ILE 9 -10.466 9.345 -2.867 71 2HG1 ILE 9 1HG1 ILE 9 -10.835 7.896 -1.934 72 1HG2 ILE 9 1HG2 ILE 9 -7.631 9.111 -3.088 73 2HG2 ILE 9 2HG2 ILE 9 -8.483 9.196 -4.631 74 3HG2 ILE 9 3HG2 ILE 9 -7.329 7.896 -4.332 75 1HD1 ILE 9 1HD1 ILE 9 -8.809 10.004 -1.426 76 2HD1 ILE 9 2HD1 ILE 9 -8.300 8.348 -1.093 77 3HD1 ILE 9 3HD1 ILE 9 -9.717 9.016 -0.281 78 H PHE 10 H PHE 10 -9.345 4.865 -3.632 79 HA PHE 10 HA PHE 10 -7.430 4.213 -5.656 80 1HB PHE 10 2HB PHE 10 -7.553 3.085 -3.432 81 2HB PHE 10 1HB PHE 10 -9.055 2.309 -3.939 82 HD1 PHE 10 HD1 PHE 10 -8.956 1.020 -6.229 83 HD2 PHE 10 HD2 PHE 10 -5.520 2.012 -3.851 84 HE1 PHE 10 HE1 PHE 10 -7.657 -0.763 -7.363 85 HE2 PHE 10 HE2 PHE 10 -4.221 0.230 -4.984 86 HZ PHE 10 HZ PHE 10 -5.290 -1.157 -6.738 87 H ILE 11 H ILE 11 -10.891 3.509 -5.313 88 HA ILE 11 HA ILE 11 -11.170 1.775 -7.542 89 HB ILE 11 HB ILE 11 -13.030 3.669 -6.118 90 1HG1 ILE 11 2HG1 ILE 11 -13.156 0.681 -6.612 91 2HG1 ILE 11 1HG1 ILE 11 -12.370 1.403 -5.207 92 1HG2 ILE 11 1HG2 ILE 11 -13.752 1.986 -8.539 93 2HG2 ILE 11 2HG2 ILE 11 -13.663 3.747 -8.520 94 3HG2 ILE 11 3HG2 ILE 11 -14.878 2.914 -7.550 95 1HD1 ILE 11 1HD1 ILE 11 -14.942 0.654 -5.154 96 2HD1 ILE 11 2HD1 ILE 11 -15.159 2.276 -5.812 97 3HD1 ILE 11 3HD1 ILE 11 -14.363 2.054 -4.254 98 H MET 12 H MET 12 -10.773 5.255 -7.356 99 HA MET 12 HA MET 12 -11.089 5.368 -10.330 100 1HB MET 12 2HB MET 12 -12.425 6.882 -8.484 101 2HB MET 12 1HB MET 12 -11.047 7.922 -8.853 102 1HG MET 12 2HG MET 12 -11.633 8.136 -11.094 103 2HG MET 12 1HG MET 12 -12.526 6.616 -11.112 104 1HE MET 12 1HE MET 12 -14.749 9.522 -12.129 105 2HE MET 12 2HE MET 12 -13.053 9.106 -12.362 106 3HE MET 12 3HE MET 12 -13.483 10.481 -11.349 107 H LYS 13 H LYS 13 -8.720 5.035 -8.150 108 HA LYS 13 HA LYS 13 -6.904 6.946 -9.560 109 1HB LYS 13 2HB LYS 13 -7.214 7.135 -7.011 110 2HB LYS 13 1HB LYS 13 -6.303 5.627 -6.912 111 1HG LYS 13 2HG LYS 13 -4.363 6.725 -7.221 112 2HG LYS 13 1HG LYS 13 -4.972 7.447 -8.711 113 1HD LYS 13 2HD LYS 13 -6.193 8.660 -6.362 114 2HD LYS 13 1HD LYS 13 -4.435 8.799 -6.326 115 1HE LYS 13 2HE LYS 13 -4.647 9.554 -8.795 116 2HE LYS 13 1HE LYS 13 -6.353 9.805 -8.424 117 1HZ LYS 13 1HZ LYS 13 -4.312 10.913 -6.626 118 2HZ LYS 13 2HZ LYS 13 -5.885 11.470 -6.943 119 3HZ LYS 13 3HZ LYS 13 -4.647 11.716 -8.082 120 H CYS 14 H CYS 14 -6.515 3.833 -7.794 121 HA CYS 14 HA CYS 14 -4.826 2.956 -10.103 122 1HB CYS 14 2HB CYS 14 -4.432 1.372 -7.690 123 2HB CYS 14 1HB CYS 14 -3.238 2.219 -8.669 124 H SER 15 H SER 15 -7.747 2.670 -9.843 125 HA SER 15 HA SER 15 -8.129 -0.216 -9.316 126 1HB SER 15 2HB SER 15 -9.791 1.775 -8.796 127 2HB SER 15 1HB SER 15 -10.251 1.559 -10.480 128 HG SER 15 HG SER 15 -10.427 -0.755 -9.868 129 H GLN 16 H GLN 16 -6.756 1.349 -11.751 130 HA GLN 16 HA GLN 16 -8.182 -0.092 -13.931 131 1HB GLN 16 2HB GLN 16 -6.752 2.430 -13.741 132 2HB GLN 16 1HB GLN 16 -6.074 1.422 -15.021 133 1HG GLN 16 2HG GLN 16 -8.203 1.211 -16.105 134 2HG GLN 16 1HG GLN 16 -9.047 1.912 -14.723 135 1HE2 GLN 16 1HE2 GLN 16 -8.989 4.236 -14.466 136 2HE2 GLN 16 2HE2 GLN 16 -8.373 5.262 -15.669 137 H CYS 17 H CYS 17 -4.901 0.447 -12.633 138 HA CYS 17 HA CYS 17 -3.928 -1.897 -14.155 139 1HB CYS 17 2HB CYS 17 -2.529 0.181 -12.445 140 2HB CYS 17 1HB CYS 17 -1.700 -1.190 -13.182 141 H HIS 18 H HIS 18 -4.841 -0.958 -10.909 142 HA HIS 18 HA HIS 18 -3.883 -3.620 -9.924 143 1HB HIS 18 2HB HIS 18 -4.446 -1.068 -8.393 144 2HB HIS 18 1HB HIS 18 -4.054 -2.611 -7.640 145 HD1 HIS 18 HD1 HIS 18 -1.603 -3.361 -7.677 146 HD2 HIS 18 HD2 HIS 18 -2.290 0.119 -9.852 147 HE1 HIS 18 HE1 HIS 18 0.677 -2.386 -8.208 148 H THR 19 H THR 19 -5.883 -4.600 -10.766 149 HA THR 19 HA THR 19 -8.443 -3.717 -9.663 150 HB THR 19 HB THR 19 -9.410 -5.428 -10.964 151 HG1 THR 19 HG1 THR 19 -6.897 -6.693 -10.686 152 1HG2 THR 19 1HG2 THR 19 -7.755 -3.725 -12.176 153 2HG2 THR 19 2HG2 THR 19 -8.578 -5.000 -13.074 154 3HG2 THR 19 3HG2 THR 19 -6.902 -5.217 -12.572 155 H VAL 20 H VAL 20 -8.039 -3.826 -7.379 156 HA VAL 20 HA VAL 20 -7.150 -6.321 -6.157 157 HB VAL 20 HB VAL 20 -7.386 -5.164 -4.063 158 1HG1 VAL 20 1HG1 VAL 20 -6.648 -2.941 -5.953 159 2HG1 VAL 20 2HG1 VAL 20 -5.634 -4.379 -5.821 160 3HG1 VAL 20 3HG1 VAL 20 -5.916 -3.367 -4.405 161 1HG2 VAL 20 1HG2 VAL 20 -9.271 -3.459 -5.657 162 2HG2 VAL 20 2HG2 VAL 20 -8.434 -2.741 -4.281 163 3HG2 VAL 20 3HG2 VAL 20 -9.477 -4.142 -4.044 164 H GLU 21 H GLU 21 -9.934 -5.767 -7.672 165 HA GLU 21 HA GLU 21 -11.442 -7.498 -5.774 166 1HB GLU 21 2HB GLU 21 -12.170 -4.790 -6.719 167 2HB GLU 21 1HB GLU 21 -13.455 -5.993 -6.838 168 1HG GLU 21 2HG GLU 21 -13.089 -6.593 -4.456 169 2HG GLU 21 1HG GLU 21 -11.861 -5.333 -4.344 170 H LYS 22 H LYS 22 -10.004 -7.639 -8.528 171 HA LYS 22 HA LYS 22 -12.246 -8.424 -10.281 172 1HB LYS 22 2HB LYS 22 -10.152 -7.227 -11.104 173 2HB LYS 22 1HB LYS 22 -9.284 -8.736 -10.821 174 1HG LYS 22 2HG LYS 22 -9.914 -8.853 -13.100 175 2HG LYS 22 1HG LYS 22 -11.115 -9.843 -12.268 176 1HD LYS 22 2HD LYS 22 -12.769 -8.507 -13.001 177 2HD LYS 22 1HD LYS 22 -11.994 -7.105 -12.263 178 1HE LYS 22 2HE LYS 22 -10.436 -7.101 -14.311 179 2HE LYS 22 1HE LYS 22 -11.595 -8.208 -15.047 180 1HZ LYS 22 1HZ LYS 22 -13.283 -6.402 -14.255 181 2HZ LYS 22 2HZ LYS 22 -12.431 -6.209 -15.713 182 3HZ LYS 22 3HZ LYS 22 -11.922 -5.390 -14.313 183 H GLY 23 H GLY 23 -9.275 -10.026 -9.057 184 1HA GLY 23 2HA GLY 23 -9.970 -12.242 -7.841 185 2HA GLY 23 1HA GLY 23 -10.664 -12.637 -9.413 186 H GLY 24 H GLY 24 -7.561 -11.385 -8.118 187 1HA GLY 24 1HA GLY 24 -5.355 -11.947 -8.683 188 2HA GLY 24 2HA GLY 24 -5.982 -13.558 -9.036 189 H LYS 25 H LYS 25 -7.443 -10.979 -10.782 190 HA LYS 25 HA LYS 25 -6.050 -11.909 -13.243 191 1HB LYS 25 2HB LYS 25 -8.656 -11.752 -12.923 192 2HB LYS 25 1HB LYS 25 -8.401 -10.035 -13.240 193 1HG LYS 25 2HG LYS 25 -8.436 -10.546 -15.437 194 2HG LYS 25 1HG LYS 25 -6.874 -11.329 -15.192 195 1HD LYS 25 2HD LYS 25 -9.069 -13.029 -14.312 196 2HD LYS 25 1HD LYS 25 -9.239 -12.578 -16.009 197 1HE LYS 25 2HE LYS 25 -6.483 -13.253 -15.336 198 2HE LYS 25 1HE LYS 25 -7.586 -14.588 -15.004 199 1HZ LYS 25 1HZ LYS 25 -6.944 -13.293 -17.548 200 2HZ LYS 25 2HZ LYS 25 -8.518 -13.895 -17.338 201 3HZ LYS 25 3HZ LYS 25 -7.182 -14.936 -17.201 202 H HIS 26 H HIS 26 -4.139 -10.579 -12.434 203 HA HIS 26 HA HIS 26 -4.435 -7.677 -12.485 204 1HB HIS 26 2HB HIS 26 -1.792 -7.893 -12.604 205 2HB HIS 26 1HB HIS 26 -2.660 -8.204 -11.105 206 HD1 HIS 26 HD1 HIS 26 -2.662 -10.718 -13.928 207 HD2 HIS 26 HD2 HIS 26 -0.805 -10.166 -10.234 208 HE1 HIS 26 HE1 HIS 26 -1.477 -12.886 -13.391 209 H LYS 27 H LYS 27 -4.294 -6.385 -14.245 210 HA LYS 27 HA LYS 27 -3.535 -7.637 -16.813 211 1HB LYS 27 2HB LYS 27 -5.374 -5.443 -16.017 212 2HB LYS 27 1HB LYS 27 -4.538 -5.249 -17.558 213 1HG LYS 27 2HG LYS 27 -6.155 -6.562 -18.434 214 2HG LYS 27 1HG LYS 27 -5.353 -7.900 -17.611 215 1HD LYS 27 2HD LYS 27 -7.618 -8.006 -16.893 216 2HD LYS 27 1HD LYS 27 -6.750 -7.256 -15.551 217 1HE LYS 27 2HE LYS 27 -7.473 -5.144 -17.277 218 2HE LYS 27 1HE LYS 27 -8.900 -6.170 -17.148 219 1HZ LYS 27 1HZ LYS 27 -8.678 -6.090 -14.733 220 2HZ LYS 27 2HZ LYS 27 -8.867 -4.535 -15.390 221 3HZ LYS 27 3HZ LYS 27 -7.336 -5.064 -14.878 222 H THR 28 H THR 28 -3.396 -4.213 -15.885 223 HA THR 28 HA THR 28 -0.648 -4.098 -16.982 224 HB THR 28 HB THR 28 -2.473 -1.889 -15.981 225 HG1 THR 28 HG1 THR 28 -2.042 -3.136 -18.437 226 1HG2 THR 28 1HG2 THR 28 -0.112 -1.478 -17.778 227 2HG2 THR 28 2HG2 THR 28 0.162 -1.657 -16.045 228 3HG2 THR 28 3HG2 THR 28 -0.863 -0.354 -16.645 229 H GLY 29 H GLY 29 -2.370 -3.748 -13.926 230 1HA GLY 29 2HA GLY 29 0.237 -3.252 -12.560 231 2HA GLY 29 1HA GLY 29 -1.330 -2.843 -11.884 232 HA PRO 30 HA PRO 30 0.142 -7.254 -10.753 233 1HB PRO 30 2HB PRO 30 1.198 -6.699 -8.268 234 2HB PRO 30 1HB PRO 30 2.159 -6.782 -9.756 235 1HG PRO 30 2HG PRO 30 1.192 -4.358 -8.276 236 2HG PRO 30 1HG PRO 30 2.709 -4.602 -9.162 237 1HD PRO 30 2HD PRO 30 0.556 -3.207 -10.200 238 2HD PRO 30 1HD PRO 30 1.766 -4.042 -11.192 239 H ASN 31 H ASN 31 -1.389 -8.466 -9.696 240 HA ASN 31 HA ASN 31 -3.784 -7.392 -8.726 241 1HB ASN 31 2HB ASN 31 -3.714 -9.725 -9.254 242 2HB ASN 31 1HB ASN 31 -2.414 -10.017 -8.097 243 1HD2 ASN 31 1HD2 ASN 31 -5.610 -8.336 -7.858 244 2HD2 ASN 31 2HD2 ASN 31 -6.114 -9.189 -6.479 245 H LEU 32 H LEU 32 -3.672 -5.788 -7.192 246 HA LEU 32 HA LEU 32 -1.955 -6.016 -4.850 247 1HB LEU 32 2HB LEU 32 -3.583 -3.967 -6.132 248 2HB LEU 32 1HB LEU 32 -3.826 -3.982 -4.389 249 HG LEU 32 HG LEU 32 -1.599 -3.444 -3.938 250 1HD1 LEU 32 1HD1 LEU 32 -1.055 -4.768 -6.575 251 2HD1 LEU 32 2HD1 LEU 32 -0.295 -5.048 -5.008 252 3HD1 LEU 32 3HD1 LEU 32 0.111 -3.607 -5.942 253 1HD2 LEU 32 1HD2 LEU 32 -2.129 -1.412 -4.837 254 2HD2 LEU 32 2HD2 LEU 32 -2.697 -2.121 -6.349 255 3HD2 LEU 32 3HD2 LEU 32 -0.971 -1.883 -6.081 256 H HIS 33 H HIS 33 -3.073 -8.195 -4.320 257 HA HIS 33 HA HIS 33 -5.675 -7.799 -2.931 258 1HB HIS 33 2HB HIS 33 -5.275 -9.728 -4.578 259 2HB HIS 33 1HB HIS 33 -4.217 -10.417 -3.348 260 HD1 HIS 33 HD1 HIS 33 -5.330 -11.768 -1.556 261 HD2 HIS 33 HD2 HIS 33 -8.041 -9.295 -3.536 262 HE1 HIS 33 HE1 HIS 33 -7.624 -12.358 -0.659 263 H GLY 34 H GLY 34 -2.444 -9.220 -2.367 264 1HA GLY 34 2HA GLY 34 -2.840 -8.657 0.545 265 2HA GLY 34 1HA GLY 34 -1.997 -10.098 -0.027 266 H LEU 35 H LEU 35 -1.752 -6.845 -1.389 267 HA LEU 35 HA LEU 35 1.012 -6.815 -1.733 268 1HB LEU 35 2HB LEU 35 -0.800 -5.099 -2.455 269 2HB LEU 35 1HB LEU 35 -0.483 -4.337 -0.899 270 HG LEU 35 HG LEU 35 1.597 -4.919 -3.029 271 1HD1 LEU 35 1HD1 LEU 35 1.617 -2.245 -2.746 272 2HD1 LEU 35 2HD1 LEU 35 -0.073 -2.546 -2.345 273 3HD1 LEU 35 3HD1 LEU 35 0.567 -3.058 -3.907 274 1HD2 LEU 35 1HD2 LEU 35 2.816 -4.968 -1.047 275 2HD2 LEU 35 2HD2 LEU 35 1.702 -3.881 -0.216 276 3HD2 LEU 35 3HD2 LEU 35 2.841 -3.240 -1.399 277 H PHE 36 H PHE 36 -0.792 -5.536 1.082 278 HA PHE 36 HA PHE 36 1.490 -4.757 2.591 279 1HB PHE 36 2HB PHE 36 -1.258 -5.672 3.478 280 2HB PHE 36 1HB PHE 36 -0.055 -4.986 4.570 281 HD1 PHE 36 HD1 PHE 36 1.191 -2.908 2.878 282 HD2 PHE 36 HD2 PHE 36 -2.934 -4.024 3.310 283 HE1 PHE 36 HE1 PHE 36 0.502 -0.623 2.204 284 HE2 PHE 36 HE2 PHE 36 -3.622 -1.740 2.636 285 HZ PHE 36 HZ PHE 36 -1.907 -0.041 2.084 286 H GLY 37 H GLY 37 2.864 -5.895 3.926 287 1HA GLY 37 2HA GLY 37 3.842 -7.732 5.015 288 2HA GLY 37 1HA GLY 37 2.266 -8.520 4.965 289 H ARG 38 H ARG 38 3.688 -7.381 1.989 290 HA ARG 38 HA ARG 38 4.745 -10.081 1.372 291 1HB ARG 38 2HB ARG 38 2.311 -10.019 0.707 292 2HB ARG 38 1HB ARG 38 2.715 -8.725 -0.423 293 1HG ARG 38 2HG ARG 38 4.549 -10.376 -1.277 294 2HG ARG 38 1HG ARG 38 3.577 -11.608 -0.473 295 1HD ARG 38 2HD ARG 38 3.054 -11.164 -2.949 296 2HD ARG 38 1HD ARG 38 1.686 -11.162 -1.838 297 HE ARG 38 HE ARG 38 1.556 -8.762 -2.061 298 1HH1 ARG 38 1HH2 ARG 38 4.538 -9.866 -3.287 299 2HH1 ARG 38 2HH2 ARG 38 4.649 -8.660 -4.524 300 1HH2 ARG 38 1HH1 ARG 38 1.501 -7.348 -3.895 301 2HH2 ARG 38 2HH1 ARG 38 2.928 -7.234 -4.869 302 H LYS 39 H LYS 39 6.733 -9.707 0.542 303 HA LYS 39 HA LYS 39 7.532 -7.115 -0.462 304 1HB LYS 39 2HB LYS 39 9.675 -8.149 -0.895 305 2HB LYS 39 1HB LYS 39 9.073 -8.787 0.636 306 1HG LYS 39 2HG LYS 39 8.150 -10.757 -0.622 307 2HG LYS 39 1HG LYS 39 8.951 -10.146 -2.070 308 1HD LYS 39 2HD LYS 39 11.113 -10.445 -1.137 309 2HD LYS 39 1HD LYS 39 10.469 -10.625 0.495 310 1HE LYS 39 2HE LYS 39 9.208 -12.689 -0.505 311 2HE LYS 39 1HE LYS 39 10.425 -12.592 -1.779 312 1HZ LYS 39 1HZ LYS 39 10.990 -14.048 0.167 313 2HZ LYS 39 2HZ LYS 39 11.117 -12.635 1.101 314 3HZ LYS 39 3HZ LYS 39 12.151 -12.874 -0.226 315 H THR 40 H THR 40 8.454 -6.839 -2.708 316 HA THR 40 HA THR 40 6.489 -7.487 -4.684 317 HB THR 40 HB THR 40 9.175 -6.898 -5.725 318 HG1 THR 40 HG1 THR 40 7.913 -5.097 -3.934 319 1HG2 THR 40 1HG2 THR 40 6.952 -4.953 -5.896 320 2HG2 THR 40 2HG2 THR 40 6.610 -6.553 -6.555 321 3HG2 THR 40 3HG2 THR 40 7.970 -5.616 -7.174 322 H GLY 41 H GLY 41 7.100 -8.669 -6.782 323 1HA GLY 41 1HA GLY 41 7.876 -10.593 -7.899 324 2HA GLY 41 2HA GLY 41 9.118 -10.748 -6.656 325 H GLN 42 H GLN 42 5.724 -11.462 -7.403 326 HA GLN 42 HA GLN 42 5.909 -13.827 -5.631 327 1HB GLN 42 2HB GLN 42 4.565 -11.431 -4.855 328 2HB GLN 42 1HB GLN 42 3.336 -12.649 -5.193 329 1HG GLN 42 2HG GLN 42 4.178 -12.659 -2.812 330 2HG GLN 42 1HG GLN 42 4.344 -14.204 -3.647 331 1HE2 GLN 42 1HE2 GLN 42 6.230 -11.227 -2.886 332 2HE2 GLN 42 2HE2 GLN 42 7.731 -12.018 -2.828 333 H ALA 43 H ALA 43 3.990 -11.957 -7.977 334 HA ALA 43 HA ALA 43 2.312 -14.254 -8.640 335 1HB ALA 43 1HB ALA 43 1.494 -12.756 -10.486 336 2HB ALA 43 2HB ALA 43 2.677 -11.554 -9.971 337 3HB ALA 43 3HB ALA 43 1.371 -12.030 -8.884 338 HA PRO 44 HA PRO 44 5.191 -15.948 -11.555 339 1HB PRO 44 2HB PRO 44 3.498 -17.852 -12.580 340 2HB PRO 44 1HB PRO 44 4.303 -18.004 -11.008 341 1HG PRO 44 2HG PRO 44 1.449 -17.384 -11.599 342 2HG PRO 44 1HG PRO 44 2.159 -18.135 -10.161 343 1HD PRO 44 2HD PRO 44 1.317 -15.437 -10.390 344 2HD PRO 44 1HD PRO 44 2.300 -16.120 -9.077 345 H GLY 45 H GLY 45 2.018 -16.326 -13.122 346 1HA GLY 45 2HA GLY 45 2.696 -15.793 -15.728 347 2HA GLY 45 1HA GLY 45 1.144 -15.284 -15.062 348 H TYR 46 H TYR 46 2.189 -13.383 -13.188 349 HA TYR 46 HA TYR 46 2.629 -11.124 -14.999 350 1HB TYR 46 2HB TYR 46 1.314 -11.223 -12.712 351 2HB TYR 46 1HB TYR 46 2.911 -10.965 -12.013 352 HD1 TYR 46 HD1 TYR 46 0.190 -9.183 -12.453 353 HD2 TYR 46 HD2 TYR 46 4.181 -9.151 -13.985 354 HE1 TYR 46 HE1 TYR 46 -0.032 -6.776 -12.950 355 HE2 TYR 46 HE2 TYR 46 3.971 -6.732 -14.476 356 HH TYR 46 HH TYR 46 1.767 -4.788 -13.181 357 H SER 47 H SER 47 4.640 -10.433 -15.603 358 HA SER 47 HA SER 47 7.005 -11.573 -14.254 359 1HB SER 47 2HB SER 47 8.279 -10.476 -16.040 360 2HB SER 47 1HB SER 47 6.937 -11.370 -16.745 361 HG SER 47 HG SER 47 6.101 -9.554 -17.395 362 H TYR 48 H TYR 48 5.811 -10.194 -12.375 363 HA TYR 48 HA TYR 48 5.757 -7.547 -11.937 364 1HB TYR 48 2HB TYR 48 6.904 -9.746 -10.257 365 2HB TYR 48 1HB TYR 48 7.047 -8.085 -9.696 366 HD1 TYR 48 HD1 TYR 48 4.198 -9.273 -11.743 367 HD2 TYR 48 HD2 TYR 48 5.578 -8.328 -7.820 368 HE1 TYR 48 HE1 TYR 48 1.863 -9.361 -10.893 369 HE2 TYR 48 HE2 TYR 48 3.263 -8.413 -6.971 370 HH TYR 48 HH TYR 48 0.671 -9.674 -8.838 371 H THR 49 H THR 49 7.190 -5.808 -11.650 372 HA THR 49 HA THR 49 9.627 -5.891 -13.135 373 HB THR 49 HB THR 49 10.038 -3.642 -12.073 374 HG1 THR 49 HG1 THR 49 8.315 -2.872 -10.774 375 1HG2 THR 49 1HG2 THR 49 7.198 -3.592 -12.915 376 2HG2 THR 49 2HG2 THR 49 8.313 -4.386 -14.027 377 3HG2 THR 49 3HG2 THR 49 8.579 -2.708 -13.561 378 H ALA 50 H ALA 50 10.938 -7.507 -12.365 379 HA ALA 50 HA ALA 50 11.655 -8.382 -9.899 380 1HB ALA 50 1HB ALA 50 13.006 -8.182 -12.461 381 2HB ALA 50 2HB ALA 50 13.116 -9.451 -11.242 382 3HB ALA 50 3HB ALA 50 14.151 -8.029 -11.129 383 H ALA 51 H ALA 51 12.704 -5.315 -11.344 384 HA ALA 51 HA ALA 51 14.655 -4.428 -9.609 385 1HB ALA 51 1HB ALA 51 12.256 -2.728 -10.345 386 2HB ALA 51 2HB ALA 51 13.566 -3.092 -11.468 387 3HB ALA 51 3HB ALA 51 13.894 -2.172 -10.000 388 H ASN 52 H ASN 52 11.225 -3.625 -8.963 389 HA ASN 52 HA ASN 52 11.431 -2.914 -6.286 390 1HB ASN 52 2HB ASN 52 9.302 -4.257 -7.902 391 2HB ASN 52 1HB ASN 52 9.093 -4.212 -6.155 392 1HD2 ASN 52 1HD2 ASN 52 7.293 -2.766 -7.762 393 2HD2 ASN 52 2HD2 ASN 52 7.577 -1.104 -7.579 394 H LYS 53 H LYS 53 11.097 -6.226 -7.557 395 HA LYS 53 HA LYS 53 10.950 -7.596 -5.106 396 1HB LYS 53 2HB LYS 53 10.617 -8.663 -7.309 397 2HB LYS 53 1HB LYS 53 12.343 -8.506 -7.638 398 1HG LYS 53 2HG LYS 53 12.036 -9.724 -5.068 399 2HG LYS 53 1HG LYS 53 11.011 -10.589 -6.214 400 1HD LYS 53 2HD LYS 53 12.787 -11.458 -7.316 401 2HD LYS 53 1HD LYS 53 13.648 -9.919 -7.309 402 1HE LYS 53 2HE LYS 53 14.467 -10.289 -5.084 403 2HE LYS 53 1HE LYS 53 13.400 -11.674 -4.855 404 1HZ LYS 53 1HZ LYS 53 15.640 -11.495 -6.796 405 2HZ LYS 53 2HZ LYS 53 14.586 -12.817 -6.638 406 3HZ LYS 53 3HZ LYS 53 15.630 -12.404 -5.364 407 H ASN 54 H ASN 54 13.955 -7.653 -7.029 408 HA ASN 54 HA ASN 54 15.614 -8.369 -4.876 409 1HB ASN 54 2HB ASN 54 17.428 -8.024 -6.318 410 2HB ASN 54 1HB ASN 54 16.095 -8.316 -7.434 411 1HD2 ASN 54 1HD2 ASN 54 15.422 -6.568 -8.801 412 2HD2 ASN 54 2HD2 ASN 54 16.214 -5.067 -8.829 413 H LYS 55 H LYS 55 14.137 -5.315 -5.441 414 HA LYS 55 HA LYS 55 16.118 -3.569 -4.398 415 1HB LYS 55 2HB LYS 55 13.929 -2.897 -5.452 416 2HB LYS 55 1HB LYS 55 13.139 -3.319 -3.932 417 1HG LYS 55 2HG LYS 55 13.743 -0.869 -4.153 418 2HG LYS 55 1HG LYS 55 14.407 -1.662 -2.725 419 1HD LYS 55 2HD LYS 55 16.555 -1.479 -3.462 420 2HD LYS 55 1HD LYS 55 16.111 -1.807 -5.137 421 1HE LYS 55 2HE LYS 55 16.514 0.408 -5.450 422 2HE LYS 55 1HE LYS 55 14.919 0.626 -4.732 423 1HZ LYS 55 1HZ LYS 55 17.010 1.829 -3.760 424 2HZ LYS 55 2HZ LYS 55 17.226 0.352 -2.948 425 3HZ LYS 55 3HZ LYS 55 15.792 1.239 -2.736 426 H GLY 56 H GLY 56 14.417 -6.088 -2.842 427 1HA GLY 56 1HA GLY 56 14.368 -6.777 -0.600 428 2HA GLY 56 2HA GLY 56 15.788 -5.754 -0.371 429 H ILE 57 H ILE 57 12.308 -5.219 -1.050 430 HA ILE 57 HA ILE 57 12.273 -3.324 1.258 431 HB ILE 57 HB ILE 57 12.450 -2.178 -1.019 432 1HG1 ILE 57 2HG1 ILE 57 11.522 -1.092 1.045 433 2HG1 ILE 57 1HG1 ILE 57 10.807 -0.478 -0.444 434 1HG2 ILE 57 1HG2 ILE 57 9.541 -2.777 -1.375 435 2HG2 ILE 57 2HG2 ILE 57 10.709 -3.991 -1.895 436 3HG2 ILE 57 3HG2 ILE 57 10.759 -2.367 -2.582 437 1HD1 ILE 57 1HD1 ILE 57 9.022 -2.371 -0.022 438 2HD1 ILE 57 2HD1 ILE 57 8.905 -0.843 0.851 439 3HD1 ILE 57 3HD1 ILE 57 9.592 -2.260 1.644 440 H ILE 58 H ILE 58 10.729 -4.002 2.669 441 HA ILE 58 HA ILE 58 8.623 -5.842 1.746 442 HB ILE 58 HB ILE 58 9.535 -6.418 3.875 443 1HG1 ILE 58 2HG1 ILE 58 7.615 -6.385 5.294 444 2HG1 ILE 58 1HG1 ILE 58 7.039 -4.870 4.601 445 1HG2 ILE 58 1HG2 ILE 58 10.657 -4.683 4.839 446 2HG2 ILE 58 2HG2 ILE 58 9.133 -4.422 5.686 447 3HG2 ILE 58 3HG2 ILE 58 9.512 -3.482 4.244 448 1HD1 ILE 58 1HD1 ILE 58 5.808 -6.916 3.779 449 2HD1 ILE 58 2HD1 ILE 58 7.310 -7.435 3.013 450 3HD1 ILE 58 3HD1 ILE 58 6.529 -5.941 2.499 451 H TRP 59 H TRP 59 7.090 -4.727 0.577 452 HA TRP 59 HA TRP 59 6.312 -2.105 0.674 453 1HB TRP 59 2HB TRP 59 4.606 -4.568 0.300 454 2HB TRP 59 1HB TRP 59 3.964 -2.938 0.097 455 HD1 TRP 59 HD1 TRP 59 4.912 -5.452 -2.075 456 HE1 TRP 59 HE1 TRP 59 6.124 -4.624 -4.194 457 HE3 TRP 59 HE3 TRP 59 6.256 -0.761 -0.555 458 HZ2 TRP 59 HZ2 TRP 59 7.487 -2.287 -5.120 459 HZ3 TRP 59 HZ3 TRP 59 7.510 0.737 -2.072 460 HH2 TRP 59 HH2 TRP 59 8.126 -0.018 -4.352 461 H GLY 60 H GLY 60 6.069 -0.944 2.512 462 1HA GLY 60 1HA GLY 60 4.119 -1.976 4.533 463 2HA GLY 60 2HA GLY 60 5.584 -1.114 5.006 464 H GLU 61 H GLU 61 4.089 0.440 6.048 465 HA GLU 61 HA GLU 61 2.299 2.018 4.376 466 1HB GLU 61 2HB GLU 61 3.336 2.645 7.155 467 2HB GLU 61 1HB GLU 61 1.903 3.325 6.380 468 1HG GLU 61 2HG GLU 61 0.663 1.588 7.092 469 2HG GLU 61 1HG GLU 61 1.741 0.460 6.272 470 H ASP 62 H ASP 62 5.255 2.900 6.212 471 HA ASP 62 HA ASP 62 5.549 5.377 4.756 472 1HB ASP 62 2HB ASP 62 7.837 4.109 6.215 473 2HB ASP 62 1HB ASP 62 7.348 5.803 6.160 474 H THR 63 H THR 63 7.028 2.166 4.536 475 HA THR 63 HA THR 63 9.055 2.816 2.649 476 HB THR 63 HB THR 63 7.981 0.193 2.122 477 HG1 THR 63 HG1 THR 63 8.505 -0.350 4.490 478 1HG2 THR 63 1HG2 THR 63 10.385 1.181 2.088 479 2HG2 THR 63 2HG2 THR 63 10.167 -0.478 2.645 480 3HG2 THR 63 3HG2 THR 63 10.384 0.824 3.815 481 H LEU 64 H LEU 64 5.775 1.509 2.102 482 HA LEU 64 HA LEU 64 5.895 1.629 -0.752 483 1HB LEU 64 2HB LEU 64 4.128 0.574 0.960 484 2HB LEU 64 1HB LEU 64 3.289 2.089 0.629 485 HG LEU 64 HG LEU 64 4.265 0.123 -1.462 486 1HD1 LEU 64 1HD1 LEU 64 2.360 -0.801 -0.323 487 2HD1 LEU 64 2HD1 LEU 64 1.771 -0.131 -1.842 488 3HD1 LEU 64 3HD1 LEU 64 1.525 0.750 -0.336 489 1HD2 LEU 64 1HD2 LEU 64 2.775 1.625 -2.925 490 2HD2 LEU 64 2HD2 LEU 64 4.324 2.305 -2.424 491 3HD2 LEU 64 3HD2 LEU 64 2.840 2.789 -1.603 492 H MET 65 H MET 65 4.913 4.005 1.687 493 HA MET 65 HA MET 65 3.746 5.953 0.030 494 1HB MET 65 2HB MET 65 3.693 6.312 2.388 495 2HB MET 65 1HB MET 65 5.447 6.200 2.517 496 1HG MET 65 2HG MET 65 4.325 8.309 0.723 497 2HG MET 65 1HG MET 65 4.203 8.565 2.463 498 1HE MET 65 1HE MET 65 5.387 10.225 3.032 499 2HE MET 65 2HE MET 65 6.062 10.886 1.544 500 3HE MET 65 3HE MET 65 7.124 10.528 2.904 501 H GLU 66 H GLU 66 7.171 5.266 0.625 502 HA GLU 66 HA GLU 66 8.168 7.537 -0.830 503 1HB GLU 66 2HB GLU 66 9.447 6.122 0.857 504 2HB GLU 66 1HB GLU 66 9.599 4.906 -0.413 505 1HG GLU 66 2HG GLU 66 10.365 7.728 -1.051 506 2HG GLU 66 1HG GLU 66 11.472 6.756 -0.080 507 H TYR 67 H TYR 67 8.064 4.060 -1.735 508 HA TYR 67 HA TYR 67 8.835 4.487 -4.446 509 1HB TYR 67 2HB TYR 67 8.952 2.256 -3.614 510 2HB TYR 67 1HB TYR 67 7.265 2.279 -3.102 511 HD1 TYR 67 HD1 TYR 67 9.563 1.745 -5.896 512 HD2 TYR 67 HD2 TYR 67 5.444 2.287 -4.803 513 HE1 TYR 67 HE1 TYR 67 8.855 0.866 -8.104 514 HE2 TYR 67 HE2 TYR 67 4.738 1.409 -7.008 515 HH TYR 67 HH TYR 67 5.825 -0.194 -8.774 516 H LEU 68 H LEU 68 5.926 5.286 -2.841 517 HA LEU 68 HA LEU 68 4.263 5.118 -5.260 518 1HB LEU 68 2HB LEU 68 3.656 5.067 -2.584 519 2HB LEU 68 1HB LEU 68 3.277 6.739 -2.999 520 HG LEU 68 HG LEU 68 1.888 5.921 -4.899 521 1HD1 LEU 68 1HD1 LEU 68 1.807 3.732 -5.504 522 2HD1 LEU 68 2HD1 LEU 68 1.747 3.179 -3.830 523 3HD1 LEU 68 3HD1 LEU 68 3.297 3.577 -4.572 524 1HD2 LEU 68 1HD2 LEU 68 1.078 6.272 -2.443 525 2HD2 LEU 68 2HD2 LEU 68 0.985 4.512 -2.390 526 3HD2 LEU 68 3HD2 LEU 68 0.017 5.412 -3.560 527 H GLU 69 H GLU 69 5.570 7.706 -3.184 528 HA GLU 69 HA GLU 69 4.710 9.887 -4.788 529 1HB GLU 69 2HB GLU 69 5.929 9.726 -2.430 530 2HB GLU 69 1HB GLU 69 7.369 9.942 -3.415 531 1HG GLU 69 2HG GLU 69 6.067 11.925 -4.488 532 2HG GLU 69 1HG GLU 69 5.038 11.818 -3.060 533 H ASN 70 H ASN 70 7.136 7.494 -5.157 534 HA ASN 70 HA ASN 70 7.770 8.383 -7.865 535 1HB ASN 70 2HB ASN 70 10.169 8.119 -6.077 536 2HB ASN 70 1HB ASN 70 10.010 8.982 -7.605 537 1HD2 ASN 70 1HD2 ASN 70 9.550 9.236 -4.125 538 2HD2 ASN 70 2HD2 ASN 70 9.141 10.883 -4.109 539 HA PRO 71 HA PRO 71 7.932 3.891 -7.203 540 1HB PRO 71 2HB PRO 71 6.737 3.300 -9.613 541 2HB PRO 71 1HB PRO 71 5.841 3.645 -8.123 542 1HG PRO 71 2HG PRO 71 6.241 5.379 -10.516 543 2HG PRO 71 1HG PRO 71 4.920 5.381 -9.337 544 1HD PRO 71 2HD PRO 71 7.071 7.216 -9.407 545 2HD PRO 71 1HD PRO 71 5.943 6.985 -8.056 546 H LYS 72 H LYS 72 8.493 5.392 -10.427 547 HA LYS 72 HA LYS 72 10.440 3.418 -11.188 548 1HB LYS 72 2HB LYS 72 9.033 5.111 -12.640 549 2HB LYS 72 1HB LYS 72 10.413 6.173 -12.365 550 1HG LYS 72 2HG LYS 72 11.084 3.398 -13.155 551 2HG LYS 72 1HG LYS 72 10.292 4.368 -14.397 552 1HD LYS 72 2HD LYS 72 12.087 6.174 -13.477 553 2HD LYS 72 1HD LYS 72 12.980 4.682 -13.179 554 1HE LYS 72 2HE LYS 72 11.701 5.404 -15.832 555 2HE LYS 72 1HE LYS 72 13.407 5.638 -15.454 556 1HZ LYS 72 1HZ LYS 72 11.910 3.130 -15.798 557 2HZ LYS 72 2HZ LYS 72 13.292 3.150 -14.811 558 3HZ LYS 72 3HZ LYS 72 13.408 3.583 -16.450 559 H LYS 73 H LYS 73 10.580 6.401 -9.383 560 HA LYS 73 HA LYS 73 13.464 6.742 -9.662 561 1HB LYS 73 2HB LYS 73 11.647 7.891 -7.526 562 2HB LYS 73 1HB LYS 73 13.226 8.500 -8.022 563 1HG LYS 73 2HG LYS 73 12.032 8.568 -10.412 564 2HG LYS 73 1HG LYS 73 10.591 8.723 -9.405 565 1HD LYS 73 2HD LYS 73 11.299 10.956 -9.757 566 2HD LYS 73 1HD LYS 73 11.892 10.558 -8.143 567 1HE LYS 73 2HE LYS 73 14.108 10.316 -8.877 568 2HE LYS 73 1HE LYS 73 13.625 10.082 -10.558 569 1HZ LYS 73 1HZ LYS 73 14.430 12.432 -9.414 570 2HZ LYS 73 2HZ LYS 73 12.743 12.593 -9.532 571 3HZ LYS 73 3HZ LYS 73 13.666 12.258 -10.918 572 H TYR 74 H TYR 74 11.284 5.327 -7.234 573 HA TYR 74 HA TYR 74 13.362 4.741 -5.322 574 1HB TYR 74 2HB TYR 74 10.866 4.785 -4.853 575 2HB TYR 74 1HB TYR 74 10.753 3.243 -5.700 576 HD1 TYR 74 HD1 TYR 74 10.537 1.471 -4.211 577 HD2 TYR 74 HD2 TYR 74 13.200 4.699 -3.244 578 HE1 TYR 74 HE1 TYR 74 11.225 0.283 -2.146 579 HE2 TYR 74 HE2 TYR 74 13.890 3.509 -1.178 580 HH TYR 74 HH TYR 74 13.928 1.292 -0.259 581 H ILE 75 H ILE 75 11.529 2.493 -7.435 582 HA ILE 75 HA ILE 75 13.979 0.816 -7.554 583 HB ILE 75 HB ILE 75 11.065 0.257 -7.277 584 1HG1 ILE 75 2HG1 ILE 75 12.857 -1.776 -6.359 585 2HG1 ILE 75 1HG1 ILE 75 13.493 -0.204 -5.887 586 1HG2 ILE 75 1HG2 ILE 75 11.910 -0.784 -9.517 587 2HG2 ILE 75 2HG2 ILE 75 11.068 -1.812 -8.369 588 3HG2 ILE 75 3HG2 ILE 75 12.825 -1.864 -8.469 589 1HD1 ILE 75 1HD1 ILE 75 10.730 -0.047 -5.416 590 2HD1 ILE 75 2HD1 ILE 75 12.001 -0.193 -4.203 591 3HD1 ILE 75 3HD1 ILE 75 11.209 -1.638 -4.828 592 HA PRO 76 HA PRO 76 13.772 2.020 -11.854 593 1HB PRO 76 2HB PRO 76 16.058 0.688 -12.603 594 2HB PRO 76 1HB PRO 76 16.067 2.258 -11.781 595 1HG PRO 76 2HG PRO 76 16.716 -0.438 -10.685 596 2HG PRO 76 1HG PRO 76 17.280 1.155 -10.154 597 1HD PRO 76 2HD PRO 76 15.257 -0.387 -8.910 598 2HD PRO 76 1HD PRO 76 15.605 1.327 -8.597 599 H GLY 77 H GLY 77 11.821 0.393 -11.759 600 1HA GLY 77 2HA GLY 77 12.301 -1.653 -13.790 601 2HA GLY 77 1HA GLY 77 11.873 -2.313 -12.211 602 H THR 78 H THR 78 9.891 -0.859 -11.227 603 HA THR 78 HA THR 78 7.558 -1.579 -12.503 604 HB THR 78 HB THR 78 7.767 -0.380 -10.260 605 HG1 THR 78 HG1 THR 78 5.726 -0.695 -10.791 606 1HG2 THR 78 1HG2 THR 78 7.093 2.196 -11.421 607 2HG2 THR 78 2HG2 THR 78 8.710 1.684 -11.904 608 3HG2 THR 78 3HG2 THR 78 8.299 1.811 -10.194 609 H LYS 79 H LYS 79 6.084 -0.559 -13.940 610 HA LYS 79 HA LYS 79 7.362 1.484 -15.708 611 1HB LYS 79 2HB LYS 79 5.581 -0.870 -16.316 612 2HB LYS 79 1HB LYS 79 5.631 0.515 -17.407 613 1HG LYS 79 2HG LYS 79 7.439 -0.469 -18.339 614 2HG LYS 79 1HG LYS 79 8.310 0.025 -16.887 615 1HD LYS 79 2HD LYS 79 8.726 -2.219 -16.719 616 2HD LYS 79 1HD LYS 79 7.130 -2.230 -15.966 617 1HE LYS 79 2HE LYS 79 6.392 -3.584 -17.602 618 2HE LYS 79 1HE LYS 79 6.718 -2.309 -18.777 619 1HZ LYS 79 1HZ LYS 79 9.130 -3.558 -17.998 620 2HZ LYS 79 2HZ LYS 79 8.438 -3.442 -19.546 621 3HZ LYS 79 3HZ LYS 79 8.026 -4.734 -18.522 622 H MET 80 H MET 80 5.185 1.234 -13.293 623 HA MET 80 HA MET 80 2.954 2.640 -14.536 624 1HB MET 80 2HB MET 80 1.980 2.723 -12.313 625 2HB MET 80 1HB MET 80 2.688 1.137 -12.567 626 1HG MET 80 2HG MET 80 4.562 1.627 -11.233 627 2HG MET 80 1HG MET 80 4.180 3.332 -11.181 628 1HE MET 80 1HE MET 80 3.003 3.975 -8.235 629 2HE MET 80 2HE MET 80 1.537 4.080 -9.207 630 3HE MET 80 3HE MET 80 3.099 4.443 -9.939 631 H ILE 81 H ILE 81 2.995 4.702 -15.043 632 HA ILE 81 HA ILE 81 5.067 6.485 -13.930 633 HB ILE 81 HB ILE 81 2.946 7.161 -15.986 634 1HG1 ILE 81 2HG1 ILE 81 5.727 6.423 -16.784 635 2HG1 ILE 81 1HG1 ILE 81 4.632 5.105 -16.361 636 1HG2 ILE 81 1HG2 ILE 81 5.056 8.608 -14.700 637 2HG2 ILE 81 2HG2 ILE 81 3.950 9.172 -15.952 638 3HG2 ILE 81 3HG2 ILE 81 5.476 8.412 -16.401 639 1HD1 ILE 81 1HD1 ILE 81 4.767 6.313 -18.838 640 2HD1 ILE 81 2HD1 ILE 81 3.399 7.135 -18.089 641 3HD1 ILE 81 3HD1 ILE 81 3.396 5.379 -18.242 642 H PHE 82 H PHE 82 3.506 5.908 -11.889 643 HA PHE 82 HA PHE 82 1.175 7.647 -11.665 644 1HB PHE 82 2HB PHE 82 1.457 5.438 -10.487 645 2HB PHE 82 1HB PHE 82 2.682 6.200 -9.473 646 HD1 PHE 82 HD1 PHE 82 -0.802 6.862 -10.697 647 HD2 PHE 82 HD2 PHE 82 1.997 7.092 -7.449 648 HE1 PHE 82 HE1 PHE 82 -2.585 7.754 -9.225 649 HE2 PHE 82 HE2 PHE 82 0.215 7.987 -5.976 650 HZ PHE 82 HZ PHE 82 -2.072 8.310 -6.866 651 H VAL 83 H VAL 83 1.030 9.534 -10.373 652 HA VAL 83 HA VAL 83 3.565 11.011 -10.105 653 HB VAL 83 HB VAL 83 2.100 12.922 -9.563 654 1HG1 VAL 83 1HG1 VAL 83 0.582 11.782 -11.809 655 2HG1 VAL 83 2HG1 VAL 83 2.331 11.640 -11.986 656 3HG1 VAL 83 3HG1 VAL 83 1.594 13.225 -11.753 657 1HG2 VAL 83 1HG2 VAL 83 -0.468 12.128 -10.034 658 2HG2 VAL 83 2HG2 VAL 83 0.225 12.293 -8.421 659 3HG2 VAL 83 3HG2 VAL 83 0.166 10.711 -9.198 660 H GLY 84 H GLY 84 2.795 12.637 -7.865 661 1HA GLY 84 2HA GLY 84 2.706 10.649 -5.641 662 2HA GLY 84 1HA GLY 84 3.963 11.887 -5.668 663 H ILE 85 H ILE 85 1.091 11.197 -4.256 664 HA ILE 85 HA ILE 85 -0.243 13.776 -4.461 665 HB ILE 85 HB ILE 85 -0.601 11.720 -2.266 666 1HG1 ILE 85 2HG1 ILE 85 -2.220 11.778 -4.806 667 2HG1 ILE 85 1HG1 ILE 85 -0.704 10.879 -4.747 668 1HG2 ILE 85 1HG2 ILE 85 -2.416 13.801 -3.526 669 2HG2 ILE 85 2HG2 ILE 85 -1.733 13.852 -1.899 670 3HG2 ILE 85 3HG2 ILE 85 -2.929 12.624 -2.316 671 1HD1 ILE 85 1HD1 ILE 85 -3.161 9.905 -3.937 672 2HD1 ILE 85 2HD1 ILE 85 -2.419 10.397 -2.416 673 3HD1 ILE 85 3HD1 ILE 85 -1.598 9.241 -3.463 674 H LYS 86 H LYS 86 0.082 15.562 -3.186 675 HA LYS 86 HA LYS 86 2.386 15.529 -1.360 676 1HB LYS 86 2HB LYS 86 1.219 17.447 -3.015 677 2HB LYS 86 1HB LYS 86 0.810 17.983 -1.385 678 1HG LYS 86 2HG LYS 86 3.163 17.864 -0.722 679 2HG LYS 86 1HG LYS 86 3.599 17.250 -2.318 680 1HD LYS 86 2HD LYS 86 4.016 19.479 -2.696 681 2HD LYS 86 1HD LYS 86 2.294 19.471 -3.075 682 1HE LYS 86 2HE LYS 86 2.080 19.855 -0.447 683 2HE LYS 86 1HE LYS 86 3.696 20.527 -0.656 684 1HZ LYS 86 1HZ LYS 86 2.855 22.331 -1.602 685 2HZ LYS 86 2HZ LYS 86 1.305 21.784 -1.174 686 3HZ LYS 86 3HZ LYS 86 1.944 21.421 -2.706 687 H LYS 87 H LYS 87 -1.129 15.785 -1.166 688 HA LYS 87 HA LYS 87 -1.207 16.507 1.627 689 1HB LYS 87 2HB LYS 87 -3.070 16.327 -0.397 690 2HB LYS 87 1HB LYS 87 -3.490 14.953 0.627 691 1HG LYS 87 2HG LYS 87 -4.537 16.400 2.000 692 2HG LYS 87 1HG LYS 87 -2.950 17.051 2.411 693 1HD LYS 87 2HD LYS 87 -3.960 18.979 1.631 694 2HD LYS 87 1HD LYS 87 -3.291 18.366 0.119 695 1HE LYS 87 2HE LYS 87 -5.375 17.525 -0.602 696 2HE LYS 87 1HE LYS 87 -6.057 17.574 1.023 697 1HZ LYS 87 1HZ LYS 87 -6.122 19.562 -0.951 698 2HZ LYS 87 2HZ LYS 87 -5.220 20.153 0.360 699 3HZ LYS 87 3HZ LYS 87 -6.807 19.597 0.599 700 H LYS 88 H LYS 88 -0.196 15.153 3.060 701 HA LYS 88 HA LYS 88 0.076 12.327 2.742 702 1HB LYS 88 2HB LYS 88 1.373 13.883 4.327 703 2HB LYS 88 1HB LYS 88 -0.014 13.750 5.410 704 1HG LYS 88 2HG LYS 88 0.715 11.129 4.470 705 2HG LYS 88 1HG LYS 88 2.137 11.928 5.143 706 1HD LYS 88 2HD LYS 88 0.129 12.587 6.942 707 2HD LYS 88 1HD LYS 88 -0.244 10.917 6.512 708 1HE LYS 88 2HE LYS 88 1.274 10.849 8.382 709 2HE LYS 88 1HE LYS 88 2.184 10.359 6.953 710 1HZ LYS 88 1HZ LYS 88 3.167 12.122 8.541 711 2HZ LYS 88 2HZ LYS 88 2.109 13.191 7.751 712 3HZ LYS 88 3HZ LYS 88 3.295 12.356 6.866 713 H GLU 89 H GLU 89 -2.495 14.321 4.010 714 HA GLU 89 HA GLU 89 -3.898 12.402 5.554 715 1HB GLU 89 2HB GLU 89 -4.494 14.977 4.273 716 2HB GLU 89 1HB GLU 89 -5.893 13.910 4.382 717 1HG GLU 89 2HG GLU 89 -5.843 15.181 6.417 718 2HG GLU 89 1HG GLU 89 -5.296 13.555 6.825 719 H GLU 90 H GLU 90 -4.377 13.282 2.111 720 HA GLU 90 HA GLU 90 -6.281 11.215 1.583 721 1HB GLU 90 2HB GLU 90 -4.317 12.451 -0.371 722 2HB GLU 90 1HB GLU 90 -5.838 11.651 -0.771 723 1HG GLU 90 2HG GLU 90 -7.130 13.380 0.259 724 2HG GLU 90 1HG GLU 90 -5.703 14.082 1.025 725 H ARG 91 H ARG 91 -2.755 11.262 1.586 726 HA ARG 91 HA ARG 91 -2.290 8.811 0.221 727 1HB ARG 91 2HB ARG 91 -0.679 10.683 1.350 728 2HB ARG 91 1HB ARG 91 -0.561 9.406 2.560 729 1HG ARG 91 2HG ARG 91 -0.301 8.671 -0.333 730 2HG ARG 91 1HG ARG 91 1.071 9.427 0.477 731 1HD ARG 91 2HD ARG 91 -0.370 6.919 1.388 732 2HD ARG 91 1HD ARG 91 1.232 6.986 0.654 733 HE ARG 91 HE ARG 91 1.811 8.454 2.725 734 1HH1 ARG 91 1HH2 ARG 91 -0.865 8.185 4.013 735 2HH1 ARG 91 2HH2 ARG 91 -0.627 6.848 5.088 736 1HH2 ARG 91 1HH1 ARG 91 2.266 5.761 3.512 737 2HH2 ARG 91 2HH1 ARG 91 1.149 5.474 4.804 738 H ALA 92 H ALA 92 -2.903 9.470 3.670 739 HA ALA 92 HA ALA 92 -2.634 6.793 4.588 740 1HB ALA 92 1HB ALA 92 -4.673 8.673 5.752 741 2HB ALA 92 2HB ALA 92 -2.952 9.028 5.916 742 3HB ALA 92 3HB ALA 92 -3.612 7.535 6.585 743 H ASP 93 H ASP 93 -5.465 8.565 3.354 744 HA ASP 93 HA ASP 93 -7.438 6.606 3.779 745 1HB ASP 93 2HB ASP 93 -7.082 8.917 2.007 746 2HB ASP 93 1HB ASP 93 -8.099 7.658 1.304 747 H LEU 94 H LEU 94 -5.016 6.843 1.199 748 HA LEU 94 HA LEU 94 -6.037 4.683 -0.397 749 1HB LEU 94 2HB LEU 94 -3.147 5.561 -0.128 750 2HB LEU 94 1HB LEU 94 -3.876 4.714 -1.491 751 HG LEU 94 HG LEU 94 -4.742 7.464 -0.557 752 1HD1 LEU 94 1HD1 LEU 94 -2.327 6.988 -1.641 753 2HD1 LEU 94 2HD1 LEU 94 -3.265 8.430 -2.032 754 3HD1 LEU 94 3HD1 LEU 94 -3.284 7.043 -3.122 755 1HD2 LEU 94 1HD2 LEU 94 -6.158 5.688 -2.018 756 2HD2 LEU 94 2HD2 LEU 94 -5.206 6.422 -3.308 757 3HD2 LEU 94 3HD2 LEU 94 -6.244 7.426 -2.296 758 H ILE 95 H ILE 95 -3.365 4.782 1.980 759 HA ILE 95 HA ILE 95 -2.856 1.974 1.964 760 HB ILE 95 HB ILE 95 -2.413 4.098 4.078 761 1HG1 ILE 95 2HG1 ILE 95 -1.098 4.327 2.012 762 2HG1 ILE 95 1HG1 ILE 95 -0.053 3.831 3.347 763 1HG2 ILE 95 1HG2 ILE 95 -2.192 1.177 4.228 764 2HG2 ILE 95 2HG2 ILE 95 -2.148 2.373 5.524 765 3HG2 ILE 95 3HG2 ILE 95 -0.682 2.001 4.616 766 1HD1 ILE 95 1HD1 ILE 95 0.514 2.425 1.495 767 2HD1 ILE 95 2HD1 ILE 95 -1.183 2.097 1.143 768 3HD1 ILE 95 3HD1 ILE 95 -0.440 1.434 2.599 769 H ALA 96 H ALA 96 -4.122 3.602 4.819 770 HA ALA 96 HA ALA 96 -5.288 1.592 6.198 771 1HB ALA 96 1HB ALA 96 -7.329 3.557 6.154 772 2HB ALA 96 2HB ALA 96 -5.798 4.408 5.948 773 3HB ALA 96 3HB ALA 96 -6.046 3.364 7.348 774 H TYR 97 H TYR 97 -6.710 3.002 3.263 775 HA TYR 97 HA TYR 97 -9.205 1.684 3.328 776 1HB TYR 97 2HB TYR 97 -9.026 3.281 1.633 777 2HB TYR 97 1HB TYR 97 -7.435 2.720 1.130 778 HD1 TYR 97 HD1 TYR 97 -7.625 2.060 -1.122 779 HD2 TYR 97 HD2 TYR 97 -10.615 0.829 1.705 780 HE1 TYR 97 HE1 TYR 97 -8.667 0.620 -2.848 781 HE2 TYR 97 HE2 TYR 97 -11.652 -0.608 -0.024 782 HH TYR 97 HH TYR 97 -11.239 -0.319 -3.149 783 H LEU 98 H LEU 98 -6.236 0.653 1.623 784 HA LEU 98 HA LEU 98 -7.329 -1.993 1.119 785 1HB LEU 98 2HB LEU 98 -4.562 -0.808 0.829 786 2HB LEU 98 1HB LEU 98 -4.935 -2.481 0.408 787 HG LEU 98 HG LEU 98 -6.795 -0.447 -0.675 788 1HD1 LEU 98 1HD1 LEU 98 -4.332 -0.768 -2.273 789 2HD1 LEU 98 2HD1 LEU 98 -4.168 0.230 -0.828 790 3HD1 LEU 98 3HD1 LEU 98 -5.361 0.649 -2.057 791 1HD2 LEU 98 1HD2 LEU 98 -6.981 -2.841 -1.214 792 2HD2 LEU 98 2HD2 LEU 98 -5.334 -2.835 -1.845 793 3HD2 LEU 98 3HD2 LEU 98 -6.595 -1.913 -2.663 794 H LYS 99 H LYS 99 -5.872 -0.520 3.815 795 HA LYS 99 HA LYS 99 -4.646 -2.904 4.920 796 1HB LYS 99 2HB LYS 99 -4.270 -0.328 5.488 797 2HB LYS 99 1HB LYS 99 -5.555 -0.641 6.657 798 1HG LYS 99 2HG LYS 99 -3.688 -2.814 6.752 799 2HG LYS 99 1HG LYS 99 -2.794 -1.300 6.881 800 1HD LYS 99 2HD LYS 99 -5.253 -1.928 8.532 801 2HD LYS 99 1HD LYS 99 -3.606 -2.219 9.093 802 1HE LYS 99 2HE LYS 99 -4.367 0.493 8.038 803 2HE LYS 99 1HE LYS 99 -4.777 0.049 9.696 804 1HZ LYS 99 1HZ LYS 99 -2.547 1.172 9.294 805 2HZ LYS 99 2HZ LYS 99 -2.042 -0.307 8.630 806 3HZ LYS 99 3HZ LYS 99 -2.547 -0.229 10.250 807 H LYS 100 H LYS 100 -7.806 -1.679 4.583 808 HA LYS 100 HA LYS 100 -8.816 -3.515 6.718 809 1HB LYS 100 2HB LYS 100 -9.618 -0.832 5.813 810 2HB LYS 100 1HB LYS 100 -10.966 -1.961 5.950 811 1HG LYS 100 2HG LYS 100 -10.252 -2.519 8.255 812 2HG LYS 100 1HG LYS 100 -8.934 -1.355 8.117 813 1HD LYS 100 2HD LYS 100 -11.907 -0.790 8.073 814 2HD LYS 100 1HD LYS 100 -10.722 -0.222 9.249 815 1HE LYS 100 2HE LYS 100 -9.630 0.707 6.924 816 2HE LYS 100 1HE LYS 100 -11.351 0.820 6.556 817 1HZ LYS 100 1HZ LYS 100 -10.826 1.718 9.192 818 2HZ LYS 100 2HZ LYS 100 -11.548 2.552 7.900 819 3HZ LYS 100 3HZ LYS 100 -9.859 2.563 8.085 820 H ALA 101 H ALA 101 -8.833 -2.764 3.313 821 HA ALA 101 HA ALA 101 -11.042 -4.641 2.803 822 1HB ALA 101 1HB ALA 101 -9.773 -2.440 1.356 823 2HB ALA 101 2HB ALA 101 -11.396 -3.106 1.180 824 3HB ALA 101 3HB ALA 101 -10.039 -3.858 0.341 825 H THR 102 H THR 102 -7.610 -4.246 1.880 826 HA THR 102 HA THR 102 -7.605 -7.141 1.138 827 HB THR 102 HB THR 102 -5.262 -6.240 0.150 828 HG1 THR 102 HG1 THR 102 -5.676 -4.123 0.880 829 1HG2 THR 102 1HG2 THR 102 -6.731 -7.341 -1.308 830 2HG2 THR 102 2HG2 THR 102 -6.678 -5.710 -1.974 831 3HG2 THR 102 3HG2 THR 102 -8.048 -6.214 -0.984 832 H ASN 103 H ASN 103 -7.366 -6.115 3.894 833 HA ASN 103 HA ASN 103 -4.922 -7.554 4.591 834 1HB ASN 103 2HB ASN 103 -3.977 -5.351 4.345 835 2HB ASN 103 1HB ASN 103 -5.305 -4.625 5.252 836 1HD2 ASN 103 1HD2 ASN 103 -3.100 -7.432 5.842 837 2HD2 ASN 103 2HD2 ASN 103 -2.673 -6.948 7.412 838 H GLU 104 HN GLU 104 -7.598 -5.535 5.811 839 HA GLU 104 HA GLU 104 -7.900 -7.525 8.024 840 1HB GLU 104 2HB GLU 104 -7.371 -4.755 8.228 841 2HB GLU 104 1HB GLU 104 -9.066 -4.962 8.671 842 1HG GLU 104 2HG GLU 104 -7.795 -7.095 9.929 843 2HG GLU 104 1HG GLU 104 -6.661 -5.758 10.128 844 HHA HEC 105 HHA HEC 105 4.067 -2.791 -8.916 845 HHB HEC 105 HHB HEC 105 1.078 1.144 -5.002 846 HHC HEC 105 HHC HEC 105 -2.076 3.636 -9.887 847 HHD HEC 105 HHD HEC 105 0.908 -0.308 -13.820 848 1HMA HEC 105 1HMA HEC 105 3.541 0.118 -4.020 849 2HMA HEC 105 2HMA HEC 105 3.413 -1.639 -3.930 850 3HMA HEC 105 3HMA HEC 105 1.962 -0.643 -3.821 851 1HAA HEC 105 1HAA HEC 105 4.575 -2.666 -5.202 852 2HAA HEC 105 2HAA HEC 105 5.372 -2.396 -6.738 853 1HBA HEC 105 1HBA HEC 105 4.884 -4.556 -7.162 854 2HBA HEC 105 2HBA HEC 105 3.238 -3.989 -7.450 855 1HMB HEC 105 1HMB HEC 105 -0.671 2.164 -4.247 856 2HMB HEC 105 2HMB HEC 105 -1.882 3.374 -4.672 857 3HMB HEC 105 3HMB HEC 105 -0.182 3.831 -4.552 858 HAB HEC 105 HAB HEC 105 -2.568 4.762 -8.208 859 1HBB HEC 105 1HBB HEC 105 -1.014 5.722 -6.435 860 2HBB HEC 105 2HBB HEC 105 -2.225 5.161 -5.284 861 3HBB HEC 105 3HBB HEC 105 -2.670 6.317 -6.538 862 1HMC HEC 105 1HMC HEC 105 -2.094 4.076 -13.433 863 2HMC HEC 105 2HMC HEC 105 -3.355 2.973 -12.883 864 3HMC HEC 105 3HMC HEC 105 -2.643 4.127 -11.757 865 HAC HEC 105 HAC HEC 105 -0.180 0.941 -14.972 866 1HBC HEC 105 1HBC HEC 105 -0.519 2.729 -16.202 867 2HBC HEC 105 2HBC HEC 105 -0.614 3.586 -14.663 868 3HBC HEC 105 3HBC HEC 105 -2.091 3.064 -15.475 869 1HMD HEC 105 1HMD HEC 105 2.138 -1.654 -14.562 870 2HMD HEC 105 2HMD HEC 105 3.827 -2.078 -14.286 871 3HMD HEC 105 3HMD HEC 105 2.571 -3.301 -14.106 872 1HAD HEC 105 1HAD HEC 105 3.818 -4.467 -11.268 873 2HAD HEC 105 2HAD HEC 105 4.663 -3.660 -12.579 874 1HBD HEC 105 1HBD HEC 105 5.398 -2.419 -10.094 875 2HBD HEC 105 2HBD HEC 105 6.418 -3.274 -11.246
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